| 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 | 36.4 | Very low | 41.2 | Very low | 147 Ų | 147 | 55.1 Ų | 55.1 | 72% | 0.724 | 29% | 0.286 | S | S | * | . | 0 | -42.5 | 0 | -130.2 | 174.2 | 173.6 | 0 | 0 | 114.3 | I4 V5 E64 | M1-I4 CarbonylContact O-C 3.46Å; M1-I4 WeakPolarHBondContact O-CA 3.38Å; M1-I4 WeakPolarHBondContact O-CB 3.39Å; M1-I4 PolarHBondContact O-N 3.24Å; M1-V5 VanDerWaalsContact O-CG2 3.29Å; M1-V5 WeakPolarHBondContact O-CG2 3.39Å; M1-V5 PolarHBondContact O-N 3.44Å; M1-E64 VanDerWaalsContact C-OE1 3.3Å; M1-E64 WeakPolarHBondContact CA-OE1 3.06Å; M1-E64 HydrophobicContact CB-CG 4.44Å; M1-E64 WeakPolarHBondContact CB-OE1 3.45Å; M1-E64 PolarHBondContact N-OE1 2.86Å | |||
| 2 | V | 37.4 | Very low | 41.8 | Very low | 24 Ų | 24 | 59.6 Ų | 59.6 | 15% | 0.145 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -78.6 | -34.3 | 173.5 | 156.7 | 0 | 0 | 0 | 0 | 113.1 | I4 V5 S6 A60 E64 | V2-I4 PolarHBondContact O-N 3.01Å; V2-V5 CarbonylContact O-C 3.59Å; V2-V5 PolarHBondContact O-N 3.33Å; V2-V5 VanDerWaalsContact O-N 3.15Å; V2-S6 WeakPolarHBondContact O-CB 3.38Å; V2-S6 PolarHBondContact O-N 3.43Å; V2-A60 HydrophobicContact CG2-CB 4.18Å; V2-A60 WeakPolarHBondContact CG2-O 3.26Å; V2-E64 HydrophobicContact CB-CB 4.09Å; V2-E64 HydrophobicContact CB-CG 3.5Å; V2-E64 HydrophobicContact CG2-CB 3.86Å; V2-E64 HydrophobicContact CG2-CG 3.44Å; V2-E64 VanDerWaalsContact CG2-CG 3.44Å; V2-E64 PolarHBondContact N-OE1 3.15Å |
| 3 | I | 35.6 | Very low | 42.7 | Very low | 123 Ų | 123 | 55.5 Ų | 55.5 | 63% | 0.631 | 28% | 0.276 | S | S | * | . | H | α-helix | trans | -58.9 | -36.2 | 166.3 | -63.8 | 173.1 | 0 | 0 | 0 | 109.9 | L7 | I3-L7 HydrophobicContact CG2-CD1 3.82Å; I3-L7 WeakPolarHBondContact O-CB 3.37Å; I3-L7 VanDerWaalsContact O-CD1 3.24Å; I3-L7 WeakPolarHBondContact O-CD1 3.3Å; I3-L7 WeakPolarHBondContact O-CG 3.19Å; I3-L7 PolarHBondContact O-N 2.89Å |
| 4 | I | 38.8 | Very low | 43.3 | Very low | 53 Ų | 53 | 55.9 Ų | 55.9 | 27% | 0.272 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -68.8 | -43 | 177.8 | -82.4 | 173.4 | 0 | 0 | 0 | 110.3 | M1 V2 L7 Y8 | M1-I4 CarbonylContact O-C 3.46Å; M1-I4 WeakPolarHBondContact O-CA 3.38Å; M1-I4 WeakPolarHBondContact O-CB 3.39Å; M1-I4 PolarHBondContact O-N 3.24Å; V2-I4 PolarHBondContact O-N 3.01Å; I4-L7 PolarHBondContact O-N 2.93Å; I4-Y8 VanDerWaalsContact C-CD2 3.48Å; I4-Y8 HydrophobicContact CB-CE2 4.27Å; I4-Y8 HydrophobicContact CG2-CD2 4.06Å; I4-Y8 HydrophobicContact CG2-CE2 3.06Å; I4-Y8 VanDerWaalsContact CG2-CZ 3.41Å; I4-Y8 WeakPolarHBondContact CG2-OH 3.23Å; I4-Y8 WeakPolarHBondContact O-CD2 3.42Å; I4-Y8 WeakPolarHBondContact O-CE2 3.17Å; I4-Y8 PolarHBondContact O-N 3.19Å |
| 5 | V | 44.8 | Very low | 44.4 | Very low | 22 Ų | 22 | 61.7 Ų | 61.7 | 13% | 0.133 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -71.1 | -33.5 | 173.8 | 175.9 | 0 | 0 | 0 | 0 | 114 | M1 V2 L7 Y8 L57 A60 | M1-V5 VanDerWaalsContact O-CG2 3.29Å; M1-V5 WeakPolarHBondContact O-CG2 3.39Å; M1-V5 PolarHBondContact O-N 3.44Å; V2-V5 CarbonylContact O-C 3.59Å; V2-V5 PolarHBondContact O-N 3.33Å; V2-V5 VanDerWaalsContact O-N 3.15Å; V5-L7 VanDerWaalsContact C-N 3.3Å; V5-L7 PolarHBondContact O-N 3.44Å; V5-Y8 HydrophobicContact CB-CD2 4.45Å; V5-Y8 HydrophobicContact CG2-CD2 4.22Å; V5-Y8 WeakPolarHBondContact O-CB 3.33Å; V5-Y8 PolarHBondContact O-N 3.29Å; V5-Y8 VanDerWaalsContact O-N 3.1Å; V5-L57 HydrophobicContact CG1-CD1 3.56Å; V5-A60 HydrophobicContact CG2-CB 3.93Å |
| 6 | S | 41.4 | Very low | 45.5 | Very low | 44 Ų | 44 | 58.9 Ų | 58.9 | 31% | 0.308 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -67.3 | -32.5 | 174.4 | -169.1 | 0 | 0 | 0 | 0 | 112.4 | V2 Y8 | V2-S6 WeakPolarHBondContact O-CB 3.38Å; V2-S6 PolarHBondContact O-N 3.43Å; S6-Y8 VanDerWaalsContact C-N 3.34Å |
| 7 | L | 37.5 | Very low | 46.7 | Very low | 59 Ų | 59 | 56.1 Ų | 56.1 | 31% | 0.309 | 28% | 0.277 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.6 | -9.5 | 172.7 | -69.3 | 162.2 | 0 | 0 | 0 | 113.4 | I3 I4 V5 L184 R204 | I3-L7 HydrophobicContact CG2-CD1 3.82Å; I3-L7 WeakPolarHBondContact O-CB 3.37Å; I3-L7 VanDerWaalsContact O-CD1 3.24Å; I3-L7 WeakPolarHBondContact O-CD1 3.3Å; I3-L7 WeakPolarHBondContact O-CG 3.19Å; I3-L7 PolarHBondContact O-N 2.89Å; I4-L7 PolarHBondContact O-N 2.93Å; V5-L7 VanDerWaalsContact C-N 3.3Å; V5-L7 PolarHBondContact O-N 3.44Å; L7-L184 HydrophobicContact CD2-CD1 3.84Å; L7-R204 VanDerWaalsContact CD1-NH2 3.27Å |
| 8 | Y | 44.9 | Very low | 47.9 | Very low | 23 Ų | 23 | 60.2 Ų | 60.2 | 9% | 0.09 | 29% | 0.293 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -86.9 | -19.6 | -175.7 | -79.5 | -45.9 | 0 | 0 | 0 | 115.4 | I4 V5 S6 R204 I205 V208 | I4-Y8 VanDerWaalsContact C-CD2 3.48Å; I4-Y8 HydrophobicContact CB-CE2 4.27Å; I4-Y8 HydrophobicContact CG2-CD2 4.06Å; I4-Y8 HydrophobicContact CG2-CE2 3.06Å; I4-Y8 VanDerWaalsContact CG2-CZ 3.41Å; I4-Y8 WeakPolarHBondContact CG2-OH 3.23Å; I4-Y8 WeakPolarHBondContact O-CD2 3.42Å; I4-Y8 WeakPolarHBondContact O-CE2 3.17Å; I4-Y8 PolarHBondContact O-N 3.19Å; V5-Y8 HydrophobicContact CB-CD2 4.45Å; V5-Y8 HydrophobicContact CG2-CD2 4.22Å; V5-Y8 WeakPolarHBondContact O-CB 3.33Å; V5-Y8 PolarHBondContact O-N 3.29Å; V5-Y8 VanDerWaalsContact O-N 3.1Å; S6-Y8 VanDerWaalsContact C-N 3.34Å; Y8-R204 HydrophobicContact CD1-CG 4.21Å; Y8-R204 HydrophobicContact CE1-CG 3.94Å; Y8-I205 HydrophobicContact CD1-CG1 4.03Å; Y8-V208 HydrophobicContact CE1-CB 3.87Å; Y8-V208 HydrophobicContact CE1-CG1 4.26Å; Y8-V208 HydrophobicContact CE1-CG2 3.65Å; Y8-V208 HydrophobicContact CE2-CG1 4.23Å; Y8-V208 WeakPolarHBondContact OH-CB 3.36Å; Y8-V208 WeakPolarHBondContact OH-CG1 3.46Å; Y8-V208 WeakPolarHBondContact OH-CG2 3.3Å |
| 9 | W | 47 | Very low | 49.1 | Very low | 35 Ų | 35 | 58.4 Ų | 58.4 | 13% | 0.133 | 28% | 0.284 | C | S | . | . | S | Bend | trans | -131.5 | 158.6 | -162.8 | -78.8 | 92.4 | 0 | 0 | 0 | 113.6 | I13 C52 F173 G174 | W9-I13 HydrophobicContact CB-CB 3.6Å; W9-I13 HydrophobicContact CB-CD1 3.5Å; W9-I13 VanDerWaalsContact CB-CD1 3.5Å; W9-I13 HydrophobicContact CB-CG1 4.12Å; W9-I13 HydrophobicContact CB-CG2 3.47Å; W9-I13 VanDerWaalsContact CB-CG2 3.47Å; W9-I13 HydrophobicContact CD2-CD1 3.57Å; W9-I13 HydrophobicContact CE3-CD1 3.17Å; W9-I13 HydrophobicContact CG-CD1 3.75Å; W9-I13 HydrophobicContact CG-CG2 4.22Å; W9-I13 HydrophobicContact CZ3-CD1 4.07Å; W9-C52 HydrophobicContact CH2-CB 3.66Å; W9-C52 VanDerWaalsContact CH2-O 3.23Å; W9-C52 WeakPolarHBondContact CH2-O 3.27Å; W9-C52 HydrophobicContact CZ2-CB 4.38Å; W9-C52 WeakPolarHBondContact CZ2-O 3.29Å; W9-C52 HydrophobicContact CZ3-CB 4.45Å; W9-F173 HydrophobicContact CH2-CD1 4.48Å; W9-F173 HydrophobicContact CZ3-CD1 4.41Å; W9-G174 VanDerWaalsContact CZ3-O 3.26Å; W9-G174 WeakPolarHBondContact CZ3-O 3.49Å |
| 10 | N | 48.5 | Very low | 50.2 | Low | 19 Ų | 19 | 55.7 Ų | 55.7 | 10% | 0.102 | 27% | 0.271 | C | S | . | . | trans | -39.1 | 155.4 | -175.2 | -154.9 | -21.2 | 0 | 0 | 0 | 114.5 | R12 I13 T14 S180 | N10-R12 PolarHBondContact O-N 3.23Å; N10-I13 WeakPolarHBondContact O-CA 3.48Å; N10-I13 PolarHBondContact O-N 3.02Å; N10-T14 PolarHBondContact O-N 3.3Å; N10-T14 VanDerWaalsContact O-N 3.15Å; N10-S180 WeakPolarHBondContact CA-OG 3.44Å | ||
| 11 | N | 40.7 | Very low | 51.3 | Low | 57 Ų | 57 | 56 Ų | 56 | 31% | 0.305 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -51.7 | -33.3 | 174.1 | -82.5 | -30.3 | 0 | 0 | 0 | 111.6 | I13 T14 Y15 | N11-I13 VanDerWaalsContact C-N 3.33Å; N11-I13 PolarHBondContact O-N 3.05Å; N11-T14 PolarHBondContact O-N 3.31Å; N11-T14 PolarHBondContact O-OG1 3.23Å; N11-Y15 PolarHBondContact O-N 2.93Å |
| 12 | R | 48.9 | Very low | 53 | Low | 109 Ų | 109 | 53.7 Ų | 53.7 | 41% | 0.411 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -60.2 | -39.5 | 172 | -75.2 | -169.9 | -172.5 | -166.2 | 2.9 | 112.9 | N10 Y15 S16 S451 | N10-R12 PolarHBondContact O-N 3.23Å; R12-Y15 WeakPolarHBondContact O-CB 3.41Å; R12-Y15 PolarHBondContact O-N 3.18Å; R12-S16 PolarHBondContact O-N 2.93Å; R12-S16 PolarHBondContact O-OG 3.14Å; R12-S451 PolarHBondContact NH2-OG 3.04Å |
| 13 | I | 53.4 | Low | 54.6 | Low | 6 Ų | 6 | 53 Ų | 53 | 3% | 0.031 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -76.7 | -27.9 | -179.9 | -69.8 | 162.4 | 0 | 0 | 0 | 111.4 | W9 N10 N11 Y15 S16 L17 F173 | W9-I13 HydrophobicContact CB-CB 3.6Å; W9-I13 HydrophobicContact CB-CD1 3.5Å; W9-I13 VanDerWaalsContact CB-CD1 3.5Å; W9-I13 HydrophobicContact CB-CG1 4.12Å; W9-I13 HydrophobicContact CB-CG2 3.47Å; W9-I13 VanDerWaalsContact CB-CG2 3.47Å; W9-I13 HydrophobicContact CD2-CD1 3.57Å; W9-I13 HydrophobicContact CE3-CD1 3.17Å; W9-I13 HydrophobicContact CG-CD1 3.75Å; W9-I13 HydrophobicContact CG-CG2 4.22Å; W9-I13 HydrophobicContact CZ3-CD1 4.07Å; N10-I13 WeakPolarHBondContact O-CA 3.48Å; N10-I13 PolarHBondContact O-N 3.02Å; N11-I13 VanDerWaalsContact C-N 3.33Å; N11-I13 PolarHBondContact O-N 3.05Å; I13-Y15 VanDerWaalsContact C-N 3.29Å; I13-Y15 PolarHBondContact O-N 2.84Å; I13-S16 CarbonylContact O-C 3.57Å; I13-S16 PolarHBondContact O-N 3.37Å; I13-L17 HydrophobicContact CG2-CD1 3.92Å; I13-L17 HydrophobicContact CG2-CG 3.97Å; I13-L17 WeakPolarHBondContact O-CB 3.33Å; I13-L17 WeakPolarHBondContact O-CG 3.4Å; I13-L17 PolarHBondContact O-N 3.43Å; I13-F173 HydrophobicContact CD1-CD1 4.11Å |
| 14 | T | 51.4 | Low | 56.3 | Low | 61 Ų | 61 | 47.3 Ų | 47.3 | 37% | 0.374 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -63.5 | -38.5 | 168.2 | 65.6 | 0 | 0 | 0 | 0 | 111.8 | N10 N11 K18 | N10-T14 PolarHBondContact O-N 3.3Å; N10-T14 VanDerWaalsContact O-N 3.15Å; N11-T14 PolarHBondContact O-N 3.31Å; N11-T14 PolarHBondContact O-OG1 3.23Å; T14-K18 WeakPolarHBondContact O-CB 3.46Å; T14-K18 PolarHBondContact O-N 2.82Å |
| 15 | Y | 59.1 | Low | 58 | Low | 143 Ų | 143 | 49 Ų | 49 | 56% | 0.561 | 24% | 0.236 | S | C | * | . | H | α-helix | trans | -65.2 | -48.3 | 170.6 | -174.4 | -89.2 | 0 | 0 | 0 | 110.7 | N11 R12 I13 L17 K18 E19 | N11-Y15 PolarHBondContact O-N 2.93Å; R12-Y15 WeakPolarHBondContact O-CB 3.41Å; R12-Y15 PolarHBondContact O-N 3.18Å; I13-Y15 VanDerWaalsContact C-N 3.29Å; I13-Y15 PolarHBondContact O-N 2.84Å; Y15-L17 VanDerWaalsContact C-N 3.29Å; Y15-L17 PolarHBondContact O-N 3.16Å; Y15-K18 CarbonylContact O-C 3.56Å; Y15-K18 WeakPolarHBondContact O-CA 3.33Å; Y15-K18 WeakPolarHBondContact O-CB 3.46Å; Y15-K18 PolarHBondContact O-N 2.7Å; Y15-K18 VanDerWaalsContact O-N 3.08Å; Y15-E19 HydrophobicContact CD1-CG 3.89Å; Y15-E19 HydrophobicContact CE1-CG 3.57Å; Y15-E19 WeakPolarHBondContact O-CG 3.46Å; Y15-E19 PolarHBondContact O-N 3.11Å |
| 16 | S | 62.7 | Low | 59.3 | Low | 18 Ų | 18 | 48 Ų | 48 | 13% | 0.126 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -61.5 | -35.1 | 177.7 | -54.2 | 0 | 0 | 0 | 0 | 113 | R12 I13 E19 I20 | R12-S16 PolarHBondContact O-N 2.93Å; R12-S16 PolarHBondContact O-OG 3.14Å; I13-S16 CarbonylContact O-C 3.57Å; I13-S16 PolarHBondContact O-N 3.37Å; S16-E19 CarbonylContact O-C 3.39Å; S16-E19 WeakPolarHBondContact O-CB 3.42Å; S16-E19 PolarHBondContact O-N 3.48Å; S16-I20 WeakPolarHBondContact O-CG1 3.08Å; S16-I20 PolarHBondContact O-N 2.74Å |
| 17 | L | 65.1 | Low | 60.7 | Low | 10 Ų | 10 | 47.3 Ų | 47.3 | 5% | 0.052 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -71.3 | -37.9 | 174.6 | -75.8 | 170.8 | 0 | 0 | 0 | 110.8 | I13 Y15 E19 I20 C21 L57 | I13-L17 HydrophobicContact CG2-CD1 3.92Å; I13-L17 HydrophobicContact CG2-CG 3.97Å; I13-L17 WeakPolarHBondContact O-CB 3.33Å; I13-L17 WeakPolarHBondContact O-CG 3.4Å; I13-L17 PolarHBondContact O-N 3.43Å; Y15-L17 VanDerWaalsContact C-N 3.29Å; Y15-L17 PolarHBondContact O-N 3.16Å; L17-E19 VanDerWaalsContact C-N 3.28Å; L17-E19 PolarHBondContact O-N 3.41Å; L17-I20 HydrophobicContact CD2-CD1 4.05Å; L17-I20 PolarHBondContact O-N 3.23Å; L17-C21 WeakPolarHBondContact O-CB 3.43Å; L17-C21 PolarHBondContact O-N 3.25Å; L17-C21 PolarHBondContact O-SG 3.03Å; L17-L57 HydrophobicContact CD2-CD1 3.85Å |
| 18 | K | 69.1 | Low | 62.4 | Low | 130 Ų | 130 | 51.2 Ų | 51.2 | 57% | 0.565 | 24% | 0.236 | S | C | * | . | H | α-helix | trans | -60.6 | -41.8 | 169.9 | -170.4 | 179.1 | -177.9 | 177.2 | 0 | 110.5 | T14 Y15 C21 K22 | T14-K18 WeakPolarHBondContact O-CB 3.46Å; T14-K18 PolarHBondContact O-N 2.82Å; Y15-K18 CarbonylContact O-C 3.56Å; Y15-K18 WeakPolarHBondContact O-CA 3.33Å; Y15-K18 WeakPolarHBondContact O-CB 3.46Å; Y15-K18 PolarHBondContact O-N 2.7Å; Y15-K18 VanDerWaalsContact O-N 3.08Å; K18-C21 PolarHBondContact O-N 3.2Å; K18-K22 VanDerWaalsContact O-CG 3.26Å; K18-K22 WeakPolarHBondContact O-CG 3.26Å; K18-K22 PolarHBondContact O-N 3.39Å |
| 19 | E | 69.6 | Low | 63.9 | Low | 27 Ų | 27 | 54.6 Ų | 54.6 | 13% | 0.126 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -63.4 | -45.9 | 173.3 | -65.3 | -58.9 | 115.5 | 0 | 0 | 111.5 | Y15 S16 L17 C21 K22 L23 | Y15-E19 HydrophobicContact CD1-CG 3.89Å; Y15-E19 HydrophobicContact CE1-CG 3.57Å; Y15-E19 WeakPolarHBondContact O-CG 3.46Å; Y15-E19 PolarHBondContact O-N 3.11Å; S16-E19 CarbonylContact O-C 3.39Å; S16-E19 WeakPolarHBondContact O-CB 3.42Å; S16-E19 PolarHBondContact O-N 3.48Å; L17-E19 VanDerWaalsContact C-N 3.28Å; L17-E19 PolarHBondContact O-N 3.41Å; E19-C21 VanDerWaalsContact C-N 3.34Å; E19-C21 PolarHBondContact O-N 3.23Å; E19-K22 WeakPolarHBondContact O-CB 3.22Å; E19-K22 PolarHBondContact O-N 2.88Å; E19-K22 VanDerWaalsContact O-N 3.11Å; E19-K22 IonicContact OE1-NZ 3.94Å; E19-K22 PolarHBondContact OE1-NZ 3.32Å; E19-L23 WeakPolarHBondContact O-CG 3.14Å; E19-L23 PolarHBondContact O-N 3.46Å |
| 20 | I | 72.8 | Confident | 65.2 | Low | 4 Ų | 4 | 55.3 Ų | 55.3 | 2% | 0.021 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -58.2 | -46.9 | 174.8 | -68.1 | 159.3 | 0 | 0 | 0 | 110.6 | S16 L17 K22 L23 M24 F44 L57 I61 I171 | S16-I20 WeakPolarHBondContact O-CG1 3.08Å; S16-I20 PolarHBondContact O-N 2.74Å; L17-I20 HydrophobicContact CD2-CD1 4.05Å; L17-I20 PolarHBondContact O-N 3.23Å; I20-K22 VanDerWaalsContact C-N 3.28Å; I20-K22 PolarHBondContact O-N 3.38Å; I20-L23 WeakPolarHBondContact O-CB 3.42Å; I20-L23 PolarHBondContact O-N 2.79Å; I20-L23 VanDerWaalsContact O-N 3.12Å; I20-M24 HydrophobicContact CG2-CG 4.38Å; I20-M24 HydrophobicContact CG2-SD 4.13Å; I20-M24 WeakPolarHBondContact O-CG 3.5Å; I20-M24 PolarHBondContact O-N 3.42Å; I20-F44 HydrophobicContact CG1-CE2 4.43Å; I20-F44 HydrophobicContact CG1-CZ 4.28Å; I20-F44 HydrophobicContact CG2-CE1 4.35Å; I20-F44 HydrophobicContact CG2-CZ 4.17Å; I20-L57 HydrophobicContact CD1-CD2 3.96Å; I20-I61 HydrophobicContact CD1-CD1 4.48Å; I20-I61 HydrophobicContact CG2-CD1 3.89Å; I20-I171 HydrophobicContact CD1-CD1 3.53Å; I20-I171 HydrophobicContact CG1-CD1 3.22Å |
| 21 | C | 71.8 | Confident | 66.7 | Low | 63 Ų | 63 | 61.8 Ų | 61.8 | 43% | 0.426 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -61.7 | -36.8 | 177.3 | -70.9 | 0 | 0 | 0 | 0 | 112 | L17 K18 E19 M24 F25 | L17-C21 WeakPolarHBondContact O-CB 3.43Å; L17-C21 PolarHBondContact O-N 3.25Å; L17-C21 PolarHBondContact O-SG 3.03Å; K18-C21 PolarHBondContact O-N 3.2Å; E19-C21 VanDerWaalsContact C-N 3.34Å; E19-C21 PolarHBondContact O-N 3.23Å; C21-M24 PolarHBondContact O-N 3.35Å; C21-F25 PolarHBondContact O-N 3.33Å |
| 22 | K | 72.5 | Confident | 68.5 | Low | 98 Ų | 98 | 62 Ų | 62 | 43% | 0.426 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -65.9 | -41 | 172.8 | -72.9 | 170.4 | -178.3 | 176.9 | 0 | 111.7 | K18 E19 I20 M24 F25 | K18-K22 VanDerWaalsContact O-CG 3.26Å; K18-K22 WeakPolarHBondContact O-CG 3.26Å; K18-K22 PolarHBondContact O-N 3.39Å; E19-K22 WeakPolarHBondContact O-CB 3.22Å; E19-K22 PolarHBondContact O-N 2.88Å; E19-K22 VanDerWaalsContact O-N 3.11Å; E19-K22 IonicContact OE1-NZ 3.94Å; E19-K22 PolarHBondContact OE1-NZ 3.32Å; I20-K22 VanDerWaalsContact C-N 3.28Å; I20-K22 PolarHBondContact O-N 3.38Å; K22-M24 VanDerWaalsContact C-N 3.3Å; K22-M24 PolarHBondContact O-N 2.98Å; K22-F25 WeakPolarHBondContact O-CB 3.19Å; K22-F25 PolarHBondContact O-N 3.28Å |
| 23 | L | 70.2 | Confident | 69.8 | Low | 10 Ų | 10 | 59 Ų | 59 | 5% | 0.052 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -61.4 | -42.7 | 174.7 | -65.1 | 173.8 | 0 | 0 | 0 | 110.1 | E19 I20 F25 H26 P41 F44 R169 | E19-L23 WeakPolarHBondContact O-CG 3.14Å; E19-L23 PolarHBondContact O-N 3.46Å; I20-L23 WeakPolarHBondContact O-CB 3.42Å; I20-L23 PolarHBondContact O-N 2.79Å; I20-L23 VanDerWaalsContact O-N 3.12Å; L23-F25 PolarHBondContact O-N 3.27Å; L23-F25 VanDerWaalsContact O-N 3.14Å; L23-H26 PolarHBondContact O-CD2 3.06Å; L23-H26 PolarHBondContact O-NE2 3.27Å; L23-P41 HydrophobicContact CD2-CB 3.78Å; L23-P41 HydrophobicContact CD2-CG 3.32Å; L23-F44 HydrophobicContact CD1-CB 3.99Å; L23-F44 HydrophobicContact CD1-CD1 3.65Å; L23-F44 HydrophobicContact CD1-CE1 4.43Å; L23-F44 HydrophobicContact CD1-CG 4.08Å; L23-R169 HydrophobicContact CD1-CB 4.02Å; L23-R169 HydrophobicContact CD1-CG 3.9Å; L23-R169 HydrophobicContact CD2-CG 3.87Å; L23-R169 HydrophobicContact CG-CG 4.4Å |
| 24 | M | 73 | Confident | 70.8 | Confident | 2 Ų | 2 | 62.5 Ų | 62.5 | 1% | 0.01 | 31% | 0.314 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72 | -5.6 | 179.4 | -65.3 | -171.3 | 73.1 | 0 | 0 | 114.5 | I20 C21 K22 H26 M27 I61 F65 L67 L146 | I20-M24 HydrophobicContact CG2-CG 4.38Å; I20-M24 HydrophobicContact CG2-SD 4.13Å; I20-M24 WeakPolarHBondContact O-CG 3.5Å; I20-M24 PolarHBondContact O-N 3.42Å; C21-M24 PolarHBondContact O-N 3.35Å; K22-M24 VanDerWaalsContact C-N 3.3Å; K22-M24 PolarHBondContact O-N 2.98Å; M24-H26 PolarHBondContact O-N 3.37Å; M24-M27 WeakPolarHBondContact O-CB 3.33Å; M24-M27 PolarHBondContact O-N 2.98Å; M24-I61 HydrophobicContact CE-CG2 3.74Å; M24-I61 HydrophobicContact SD-CG2 3.42Å; M24-I61 WeakPolarHBondContact SD-CG2 3.37Å; M24-F65 HydrophobicContact CB-CZ 4.37Å; M24-F65 HydrophobicContact CE-CB 4.1Å; M24-F65 HydrophobicContact CE-CD1 3.9Å; M24-F65 HydrophobicContact CE-CD2 3.13Å; M24-F65 HydrophobicContact CE-CE1 4.08Å; M24-F65 HydrophobicContact CE-CE2 3.36Å; M24-F65 HydrophobicContact CE-CG 3.42Å; M24-F65 VanDerWaalsContact CE-CG 3.42Å; M24-F65 HydrophobicContact CE-CZ 3.82Å; M24-F65 HydrophobicContact SD-CD2 3.69Å; M24-F65 HydrophobicContact SD-CE2 3.26Å; M24-F65 WeakPolarHBondContact SD-CE2 3.41Å; M24-F65 HydrophobicContact SD-CG 4.47Å; M24-F65 HydrophobicContact SD-CZ 3.73Å; M24-L67 HydrophobicContact CE-CD1 4.26Å; M24-L146 HydrophobicContact CE-CD2 4.32Å; M24-L146 HydrophobicContact CG-CD2 4.12Å; M24-L146 HydrophobicContact SD-CD2 4.4Å |
| 25 | F | 73.1 | Confident | 72 | Confident | 88 Ų | 88 | 64.2 Ų | 64.2 | 39% | 0.386 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -59.3 | -33.7 | -179.5 | -162.6 | -100.6 | 0 | 0 | 0 | 111.9 | C21 K22 L23 M27 K28 H29 V32 Y33 | C21-F25 PolarHBondContact O-N 3.33Å; K22-F25 WeakPolarHBondContact O-CB 3.19Å; K22-F25 PolarHBondContact O-N 3.28Å; L23-F25 PolarHBondContact O-N 3.27Å; L23-F25 VanDerWaalsContact O-N 3.14Å; F25-M27 PolarHBondContact O-N 3.27Å; F25-K28 PolarHBondContact O-N 3.32Å; F25-H29 HydrophobicContact CD1-CB 4.36Å; F25-H29 HydrophobicContact CE1-CB 3.91Å; F25-H29 AromaticContact CE2-CD2 3.73Å; F25-H29 HydrophobicContact CZ-CB 4.21Å; F25-H29 AromaticContact CZ-CD2 3.65Å; F25-H29 PolarHBondContact O-N 3.01Å; F25-V32 HydrophobicContact CE1-CB 4.15Å; F25-V32 HydrophobicContact CE1-CG1 4.15Å; F25-V32 HydrophobicContact CE1-CG2 4.04Å; F25-Y33 HydrophobicContact CB-CE2 4.47Å; F25-Y33 HydrophobicContact CD1-CE2 4.05Å |
| 26 | H | 71.9 | Confident | 73 | Confident | 2 Ų | 2 | 63.2 Ų | 63.2 | 1% | 0.009 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -65.1 | -22.2 | 177.8 | 75.5 | 72.8 | 0 | 0 | 0 | 113.8 | L23 M24 Y33 P40 P41 | L23-H26 PolarHBondContact O-CD2 3.06Å; L23-H26 PolarHBondContact O-NE2 3.27Å; M24-H26 PolarHBondContact O-N 3.37Å; H26-Y33 VanDerWaalsContact CA-CE2 3.45Å; H26-Y33 HydrophobicContact CB-CD2 3.65Å; H26-Y33 HydrophobicContact CB-CE2 3.43Å; H26-Y33 VanDerWaalsContact CB-CE2 3.43Å; H26-Y33 HydrophobicContact CB-CG 4.37Å; H26-P40 HydrophobicContact CB-CB 3.33Å; H26-P40 HydrophobicContact CB-CG 4.05Å; H26-P41 PolarHBondContact CD2-O 2.99Å; H26-P41 PolarHBondContact NE2-O 3.48Å |
| 27 | M | 72.3 | Confident | 73.6 | Confident | 29 Ų | 29 | 65.8 Ų | 65.8 | 14% | 0.143 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -77.8 | -28.7 | 178.2 | -62.4 | -70.8 | -76.6 | 0 | 0 | 112 | M24 F25 L67 P101 H144 | M24-M27 WeakPolarHBondContact O-CB 3.33Å; M24-M27 PolarHBondContact O-N 2.98Å; F25-M27 PolarHBondContact O-N 3.27Å; M27-L67 HydrophobicContact CE-CD1 3.7Å; M27-L67 HydrophobicContact CE-CD2 4.39Å; M27-P101 HydrophobicContact CE-CB 3.51Å; M27-H144 HydrophobicContact CE-CB 4.19Å; M27-H144 VanDerWaalsContact CE-O 3.3Å; M27-H144 WeakPolarHBondContact CE-O 3.32Å; M27-H144 HydrophobicContact SD-CB 3.71Å |
| 28 | K | 72.6 | Confident | 74.1 | Confident | 141 Ų | 141 | 69.4 Ų | 69.4 | 61% | 0.613 | 38% | 0.384 | S | S | * | . | H | α-helix | trans | -94.6 | -37 | -178.7 | -78.5 | -82.8 | -178.1 | 178.1 | 0 | 112.2 | F25 | F25-K28 PolarHBondContact O-N 3.32Å |
| 29 | H | 76.5 | Confident | 74.3 | Confident | 94 Ų | 94 | 69.2 Ų | 69.2 | 44% | 0.435 | 38% | 0.382 | S | S | . | . | trans | -134.1 | 69.6 | -175.3 | -60.7 | -68.2 | 0 | 0 | 0 | 111.1 | F25 E31 V32 | F25-H29 HydrophobicContact CD1-CB 4.36Å; F25-H29 HydrophobicContact CE1-CB 3.91Å; F25-H29 AromaticContact CE2-CD2 3.73Å; F25-H29 HydrophobicContact CZ-CB 4.21Å; F25-H29 AromaticContact CZ-CD2 3.65Å; F25-H29 PolarHBondContact O-N 3.01Å; H29-E31 PolarHBondContact O-N 3.15Å; H29-V32 HydrophobicContact CB-CG2 3.93Å; H29-V32 PolarHBondContact O-N 3.39Å | ||
| 30 | P | 74.7 | Confident | 74.5 | Confident | 50 Ų | 50 | 69.1 Ų | 69.1 | 33% | 0.325 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -61.8 | -29.9 | 177.7 | 25.7 | -34 | 0 | 0 | 0 | 112.4 | V32 Y33 A34 | P30-V32 PolarHBondContact O-N 3.39Å; P30-Y33 PolarHBondContact O-N 2.81Å; P30-A34 PolarHBondContact O-N 2.76Å |
| 31 | E | 78.5 | Confident | 74.6 | Confident | 155 Ų | 155 | 70.3 Ų | 70.3 | 72% | 0.724 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -54.9 | -34.1 | 177.5 | -61.2 | 172.4 | -160.7 | 0 | 0 | 113.3 | H29 Y33 A34 S35 | H29-E31 PolarHBondContact O-N 3.15Å; E31-Y33 VanDerWaalsContact C-N 3.35Å; E31-A34 PolarHBondContact O-N 3.34Å; E31-S35 WeakPolarHBondContact O-CB 3.43Å; E31-S35 PolarHBondContact O-N 3.08Å; E31-S35 PolarHBondContact O-OG 2.83Å |
| 32 | V | 79.9 | Confident | 74.8 | Confident | 61 Ų | 61 | 68.7 Ų | 68.7 | 37% | 0.37 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -69 | -36.1 | 179.9 | 178.3 | 0 | 0 | 0 | 0 | 111 | F25 H29 P30 S35 L36 | F25-V32 HydrophobicContact CE1-CB 4.15Å; F25-V32 HydrophobicContact CE1-CG1 4.15Å; F25-V32 HydrophobicContact CE1-CG2 4.04Å; H29-V32 HydrophobicContact CB-CG2 3.93Å; H29-V32 PolarHBondContact O-N 3.39Å; P30-V32 PolarHBondContact O-N 3.39Å; V32-S35 PolarHBondContact O-OG 3.41Å; V32-L36 HydrophobicContact CG1-CD1 4.4Å; V32-L36 WeakPolarHBondContact O-CG 3.29Å; V32-L36 PolarHBondContact O-N 2.85Å |
| 33 | Y | 76.3 | Confident | 75.4 | Confident | 46 Ų | 46 | 64.1 Ų | 64.1 | 18% | 0.18 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -76.5 | -38.9 | 176 | -73.4 | -89.5 | 0 | 0 | 0 | 111.5 | F25 H26 P30 E31 L36 G37 V38 P40 | F25-Y33 HydrophobicContact CB-CE2 4.47Å; F25-Y33 HydrophobicContact CD1-CE2 4.05Å; H26-Y33 VanDerWaalsContact CA-CE2 3.45Å; H26-Y33 HydrophobicContact CB-CD2 3.65Å; H26-Y33 HydrophobicContact CB-CE2 3.43Å; H26-Y33 VanDerWaalsContact CB-CE2 3.43Å; H26-Y33 HydrophobicContact CB-CG 4.37Å; P30-Y33 PolarHBondContact O-N 2.81Å; E31-Y33 VanDerWaalsContact C-N 3.35Å; Y33-L36 PolarHBondContact O-N 3.32Å; Y33-G37 PolarHBondContact O-N 3.44Å; Y33-V38 PolarHBondContact O-N 3.12Å; Y33-P40 HydrophobicContact CD1-CB 3.8Å; Y33-P40 HydrophobicContact CD2-CB 4.43Å; Y33-P40 HydrophobicContact CE1-CB 3.95Å; Y33-P40 HydrophobicContact CG-CB 4.04Å |
| 34 | A | 74.7 | Confident | 76.2 | Confident | 80 Ų | 80 | 63.7 Ų | 63.7 | 66% | 0.661 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -61.9 | -43.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | P30 E31 L36 G37 | P30-A34 PolarHBondContact O-N 2.76Å; E31-A34 PolarHBondContact O-N 3.34Å; A34-L36 VanDerWaalsContact C-N 3.33Å; A34-L36 PolarHBondContact O-N 3.49Å; A34-G37 PolarHBondContact O-N 3.32Å |
| 35 | S | 76.4 | Confident | 77 | Confident | 97 Ų | 97 | 63.6 Ų | 63.6 | 68% | 0.678 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -66.7 | -30.7 | 178.2 | 53 | 0 | 0 | 0 | 0 | 113.8 | E31 V32 | E31-S35 WeakPolarHBondContact O-CB 3.43Å; E31-S35 PolarHBondContact O-N 3.08Å; E31-S35 PolarHBondContact O-OG 2.83Å; V32-S35 PolarHBondContact O-OG 3.41Å |
| 36 | L | 80.2 | Confident | 77.7 | Confident | 123 Ų | 123 | 59.4 Ų | 59.4 | 64% | 0.644 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -86 | -11 | 176.2 | -68.2 | 171.9 | 0 | 0 | 0 | 113.3 | V32 Y33 A34 V38 | V32-L36 HydrophobicContact CG1-CD1 4.4Å; V32-L36 WeakPolarHBondContact O-CG 3.29Å; V32-L36 PolarHBondContact O-N 2.85Å; Y33-L36 PolarHBondContact O-N 3.32Å; A34-L36 VanDerWaalsContact C-N 3.33Å; A34-L36 PolarHBondContact O-N 3.49Å; L36-V38 HydrophobicContact CB-CG2 4.08Å; L36-V38 PolarHBondContact O-N 3.25Å |
| 37 | G | 75 | Confident | 78.4 | Confident | 71 Ų | 71 | 60.1 Ų | 60.1 | 73% | 0.732 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65.8 | 19.8 | -175 | 0 | 0 | 0 | 0 | 0 | 113.9 | Y33 A34 | Y33-G37 PolarHBondContact O-N 3.44Å; A34-G37 PolarHBondContact O-N 3.32Å |
| 38 | V | 75.9 | Confident | 78.6 | Confident | 87 Ų | 87 | 58.8 Ų | 58.8 | 53% | 0.527 | 33% | 0.334 | S | S | . | . | P | Polyproline II helix | trans | -101.7 | 126.2 | -177.5 | -178.6 | 0 | 0 | 0 | 0 | 109.5 | Y33 L36 | Y33-V38 PolarHBondContact O-N 3.12Å; L36-V38 HydrophobicContact CB-CG2 4.08Å; L36-V38 PolarHBondContact O-N 3.25Å |
| 39 | K | 72.1 | Confident | 78.7 | Confident | 125 Ų | 125 | 52.2 Ų | 52.2 | 54% | 0.543 | 31% | 0.306 | S | S | . | . | P | Polyproline II helix | trans | -65.4 | 129.2 | 173.3 | -70.5 | -171.4 | 176.9 | -170.8 | 0 | 110.2 | N140 | K39-N140 PolarHBondContact NZ-OD1 3.02Š|
| 40 | P | 73.4 | Confident | 78.8 | Confident | 25 Ų | 25 | 49.5 Ų | 49.5 | 16% | 0.162 | 30% | 0.297 | C | S | . | . | P | Polyproline II helix | trans | -72.7 | 144.3 | 179.4 | 28.4 | -33.3 | 0 | 0 | 0 | 111.2 | H26 Y33 R42 | H26-P40 HydrophobicContact CB-CB 3.33Å; H26-P40 HydrophobicContact CB-CG 4.05Å; Y33-P40 HydrophobicContact CD1-CB 3.8Å; Y33-P40 HydrophobicContact CD2-CB 4.43Å; Y33-P40 HydrophobicContact CE1-CB 3.95Å; Y33-P40 HydrophobicContact CG-CB 4.04Å; P40-R42 PolarHBondContact O-N 3.08Å |
| 41 | P | 75 | Confident | 78.9 | Confident | 29 Ų | 29 | 48.7 Ų | 48.7 | 19% | 0.188 | 30% | 0.297 | C | S | . | . | P | Polyproline II helix | trans | -67.8 | 124.9 | 175.4 | 28 | -33.8 | 0 | 0 | 0 | 110.3 | L23 H26 D168 | L23-P41 HydrophobicContact CD2-CB 3.78Å; L23-P41 HydrophobicContact CD2-CG 3.32Å; H26-P41 PolarHBondContact CD2-O 2.99Å; H26-P41 PolarHBondContact NE2-O 3.48Å; P41-D168 VanDerWaalsContact CA-OD2 3.29Å; P41-D168 WeakPolarHBondContact CA-OD2 3.42Å; P41-D168 HydrophobicContact CB-CB 4.11Å; P41-D168 VanDerWaalsContact CB-OD2 3.27Å; P41-D168 WeakPolarHBondContact CB-OD2 3.24Å |
| 42 | R | 76.5 | Confident | 78.7 | Confident | 29 Ų | 29 | 41.4 Ų | 41.4 | 11% | 0.109 | 26% | 0.264 | C | S | . | . | trans | -98.9 | -14.9 | -171.3 | -62.3 | -60.9 | -172.4 | 151.4 | 4 | 114.3 | P40 N143 F147 | P40-R42 PolarHBondContact O-N 3.08Å; R42-N143 VanDerWaalsContact CZ-O 3.31Å; R42-N143 PolarHBondContact NH1-O 2.93Å; R42-N143 PolarHBondContact NH2-O 2.75Å; R42-F147 PolarHBondContact O-N 3.46Å | ||
| 43 | G | 84.7 | Confident | 78.5 | Confident | 3 Ų | 3 | 39.5 Ų | 39.5 | 3% | 0.031 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.2 | 148.9 | -175 | 0 | 0 | 0 | 0 | 0 | 115.9 | F147 D168 | G43-F147 CarbonylContact C-O 3.54Å; G43-F147 WeakPolarHBondContact CA-O 3.46Å; G43-D168 PolarHBondContact O-N 2.85Å |
| 44 | F | 88.1 | Confident | 78.9 | Confident | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.9 | 148.6 | 171.1 | 62.5 | -98.4 | 0 | 0 | 0 | 112.5 | I20 L23 L46 I61 L146 F147 I148 G149 R169 I171 | I20-F44 HydrophobicContact CG1-CE2 4.43Å; I20-F44 HydrophobicContact CG1-CZ 4.28Å; I20-F44 HydrophobicContact CG2-CE1 4.35Å; I20-F44 HydrophobicContact CG2-CZ 4.17Å; L23-F44 HydrophobicContact CD1-CB 3.99Å; L23-F44 HydrophobicContact CD1-CD1 3.65Å; L23-F44 HydrophobicContact CD1-CE1 4.43Å; L23-F44 HydrophobicContact CD1-CG 4.08Å; F44-L46 HydrophobicContact CD2-CD2 3.66Å; F44-L46 HydrophobicContact CD2-CG 4.17Å; F44-L46 HydrophobicContact CE2-CD1 4.42Å; F44-L46 HydrophobicContact CE2-CD2 3.54Å; F44-L46 HydrophobicContact CE2-CG 3.98Å; F44-I61 HydrophobicContact CZ-CD1 4.29Å; F44-L146 HydrophobicContact CD1-CD1 4.23Å; F44-L146 HydrophobicContact CE1-CD1 4.03Å; F44-L146 HydrophobicContact CE1-CD2 4.06Å; F44-L146 HydrophobicContact CE1-CG 4.3Å; F44-F147 PolarHBondContact N-O 3.27Å; F44-I148 HydrophobicContact CD1-CG1 4.5Å; F44-I148 HydrophobicContact CD2-CG2 4.16Å; F44-I148 HydrophobicContact CE1-CD1 4.08Å; F44-I148 HydrophobicContact CE1-CG1 3.88Å; F44-I148 HydrophobicContact CE2-CB 4.34Å; F44-I148 HydrophobicContact CE2-CD1 4.03Å; F44-I148 HydrophobicContact CE2-CG1 3.9Å; F44-I148 HydrophobicContact CE2-CG2 3.64Å; F44-I148 HydrophobicContact CZ-CB 4.46Å; F44-I148 HydrophobicContact CZ-CD1 3.45Å; F44-I148 VanDerWaalsContact CZ-CD1 3.45Å; F44-I148 HydrophobicContact CZ-CG1 3.55Å; F44-I148 HydrophobicContact CZ-CG2 4.16Å; F44-G149 PolarHBondContact O-N 2.73Å; F44-G149 VanDerWaalsContact O-N 3.16Å; F44-R169 CarbonylContact C-O 3.56Å; F44-R169 WeakPolarHBondContact CA-O 2.86Å; F44-R169 HydrophobicContact CB-CB 4.01Å; F44-R169 VanDerWaalsContact CB-O 3.27Å; F44-R169 WeakPolarHBondContact CB-O 3.36Å; F44-I171 HydrophobicContact CD2-CD1 3.8Å; F44-I171 HydrophobicContact CE2-CD1 4.21Å; F44-I171 HydrophobicContact CG-CD1 4.26Å |
| 45 | L | 89.2 | Confident | 79.4 | Confident | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 121.4 | -179 | -177.4 | 68.3 | 0 | 0 | 0 | 110.4 | I109 G149 T151 L157 F167 R169 E170 I171 | L45-I109 HydrophobicContact CD1-CG2 4.14Å; L45-G149 CarbonylContact C-O 3.59Å; L45-T151 HydrophobicContact CD1-CG2 3.93Å; L45-T151 HydrophobicContact CD2-CG2 4.09Å; L45-T151 HydrophobicContact CG-CG2 4.14Å; L45-L157 HydrophobicContact CD1-CD1 4.34Å; L45-L157 HydrophobicContact CD2-CD1 4.45Å; L45-L157 HydrophobicContact CD2-CD2 4.19Å; L45-F167 HydrophobicContact CB-CB 4.1Å; L45-F167 HydrophobicContact CB-CD1 4.07Å; L45-F167 HydrophobicContact CB-CD2 4.24Å; L45-F167 HydrophobicContact CB-CG 3.9Å; L45-F167 HydrophobicContact CD1-CD2 4.38Å; L45-F167 HydrophobicContact CD1-CE2 4.14Å; L45-F167 HydrophobicContact CD1-CZ 4.26Å; L45-R169 PolarHBondContact N-O 3.08Å; L45-E170 HydrophobicContact CB-CG 4.35Å; L45-E170 HydrophobicContact CD2-CG 4.34Å; L45-E170 CarbonylContact O-C 3.49Å; L45-E170 WeakPolarHBondContact O-CA 3.48Å; L45-I171 PolarHBondContact O-N 2.79Å |
| 46 | L | 88.7 | Confident | 79.8 | Confident | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 115 | 171.2 | -61.1 | -172.2 | 0 | 0 | 0 | 109.9 | F44 K54 L57 I148 G149 A150 T151 I171 F173 | F44-L46 HydrophobicContact CD2-CD2 3.66Å; F44-L46 HydrophobicContact CD2-CG 4.17Å; F44-L46 HydrophobicContact CE2-CD1 4.42Å; F44-L46 HydrophobicContact CE2-CD2 3.54Å; F44-L46 HydrophobicContact CE2-CG 3.98Å; L46-K54 HydrophobicContact CB-CB 4.46Å; L46-K54 HydrophobicContact CD1-CB 4.43Å; L46-L57 HydrophobicContact CD1-CD2 4.34Å; L46-L57 HydrophobicContact CD2-CD2 4.47Å; L46-I148 HydrophobicContact CD1-CG2 3.92Å; L46-I148 HydrophobicContact CG-CG2 3.98Å; L46-G149 PolarHBondContact N-O 2.95Å; L46-A150 HydrophobicContact CB-CB 4.33Å; L46-A150 CarbonylContact O-C 3.49Å; L46-A150 VanDerWaalsContact O-CA 3.3Å; L46-A150 WeakPolarHBondContact O-CA 3.23Å; L46-T151 PolarHBondContact O-N 3.32Å; L46-I171 HydrophobicContact CD2-CB 3.76Å; L46-I171 HydrophobicContact CD2-CD1 4.01Å; L46-I171 HydrophobicContact CD2-CG1 4.38Å; L46-I171 HydrophobicContact CD2-CG2 4.06Å; L46-F173 HydrophobicContact CB-CE2 3.9Å; L46-F173 HydrophobicContact CD1-CE2 4.1Å; L46-F173 HydrophobicContact CD1-CZ 4.37Å; L46-F173 HydrophobicContact CD2-CE2 3.84Å; L46-F173 HydrophobicContact CG-CE2 4.14Å |
| 47 | H | 84.8 | Confident | 79.9 | Confident | 18 Ų | 18 | 31.4 Ų | 31.4 | 8% | 0.083 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 158 | 178 | 72.9 | 89.8 | 0 | 0 | 0 | 112.7 | T151 P154 I171 A172 F173 | H47-T151 VanDerWaalsContact CA-O 3.29Å; H47-T151 WeakPolarHBondContact CA-O 3.17Å; H47-T151 HydrophobicContact CB-CG2 3.79Å; H47-P154 HydrophobicContact CB-CB 4.13Å; H47-P154 HydrophobicContact CB-CG 4.25Å; H47-I171 PolarHBondContact CD2-O 3.4Å; H47-I171 PolarHBondContact N-O 3.49Å; H47-A172 VanDerWaalsContact CE1-CA 3.46Å; H47-A172 WeakPolarHBondContact CE1-CA 3.02Å; H47-A172 WeakPolarHBondContact CE1-CB 3.3Å; H47-A172 WeakPolarHBondContact NE2-CA 3.45Å; H47-A172 WeakPolarHBondContact NE2-CB 3.23Å; H47-A172 PolarHBondContact NE2-N 2.8Å; H47-A172 CarbonylContact O-C 3.58Å; H47-F173 PolarHBondContact O-N 3.46Å |
| 48 | G | 77.6 | Confident | 80.4 | Confident | 1 Ų | 1 | 28 Ų | 28 | 1% | 0.01 | 16% | 0.163 | C | C | . | . | S | Bend | trans | 150.3 | -169.4 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | K54 T151 N152 F173 | G48-K54 VanDerWaalsContact C-NZ 3.34Å; G48-K54 WeakPolarHBondContact O-CE 3.48Å; G48-K54 PolarHBondContact O-NZ 3.25Å; G48-T151 PolarHBondContact N-O 3.46Å; G48-N152 WeakPolarHBondContact O-CA 3.38Å; G48-F173 WeakPolarHBondContact CA-O 3.22Å |
| 49 | P | 74.7 | Confident | 81 | Confident | 3 Ų | 3 | 27.8 Ų | 27.8 | 2% | 0.019 | 16% | 0.156 | C | C | . | . | S | Bend | trans | -63.1 | 152.7 | 177.1 | -10.3 | 20 | 0 | 0 | 0 | 112.2 | C52 K54 F173 M175 F338 | P49-C52 PolarHBondContact O-SG 2.79Å; P49-C52 VanDerWaalsContact O-SG 3.38Å; P49-K54 WeakPolarHBondContact O-CE 3.29Å; P49-F173 WeakPolarHBondContact CD-O 3.48Å; P49-M175 HydrophobicContact CG-CG 4.05Å; P49-F338 HydrophobicContact CB-CE2 3.95Å; P49-F338 HydrophobicContact CB-CZ 3.93Å; P49-F338 HydrophobicContact CG-CE1 4.29Å; P49-F338 HydrophobicContact CG-CZ 4.15Å |
| 50 | P | 79.4 | Confident | 81.4 | Confident | 37 Ų | 37 | 22.1 Ų | 22.1 | 24% | 0.24 | 13% | 0.132 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.1 | 152.2 | 170.7 | 28.6 | -34.3 | 0 | 0 | 0 | 110.6 | C52 E336 | P50-C52 PolarHBondContact O-N 3.21Å; P50-E336 HydrophobicContact CG-CG 4.47Å |
| 51 | G | 75.9 | Confident | 81.9 | Confident | 33 Ų | 33 | 21 Ų | 21 | 34% | 0.34 | 13% | 0.125 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 77.1 | -1.8 | 176.5 | 0 | 0 | 0 | 0 | 0 | 116 | G53 V232 A234 | G51-G53 PolarHBondContact O-N 3.29Å; G51-G53 VanDerWaalsContact O-N 3.12Å; G51-V232 VanDerWaalsContact O-CG1 3.3Å; G51-V232 WeakPolarHBondContact O-CG1 3.38Å; G51-A234 PolarHBondContact O-N 3.29Å; G51-A234 VanDerWaalsContact O-N 3.09Å |
| 52 | C | 74 | Confident | 82.4 | Confident | 2 Ų | 2 | 20 Ų | 20 | 1% | 0.014 | 12% | 0.119 | C | C | . | . | S | Bend | trans | -70.4 | 0.9 | 176.7 | -68.2 | 0 | 0 | 0 | 0 | 113.8 | W9 P49 P50 F173 V232 | W9-C52 HydrophobicContact CH2-CB 3.66Å; W9-C52 VanDerWaalsContact CH2-O 3.23Å; W9-C52 WeakPolarHBondContact CH2-O 3.27Å; W9-C52 HydrophobicContact CZ2-CB 4.38Å; W9-C52 WeakPolarHBondContact CZ2-O 3.29Å; W9-C52 HydrophobicContact CZ3-CB 4.45Å; P49-C52 PolarHBondContact O-SG 2.79Å; P49-C52 VanDerWaalsContact O-SG 3.38Å; P50-C52 PolarHBondContact O-N 3.21Å; C52-F173 HydrophobicContact CB-CB 4.23Å; C52-F173 HydrophobicContact CB-CD1 4.38Å; C52-V232 VanDerWaalsContact CA-CG1 3.46Å; C52-V232 HydrophobicContact CB-CG1 4.07Å; C52-V232 VanDerWaalsContact N-CG1 3.29Å; C52-V232 WeakPolarHBondContact SG-CG1 3.49Å |
| 53 | G | 76.8 | Confident | 82.9 | Confident | 20 Ų | 20 | 21.2 Ų | 21.2 | 21% | 0.206 | 14% | 0.14 | C | C | . | . | trans | 75.5 | 31.5 | 179.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | G51 T55 L56 L57 | G51-G53 PolarHBondContact O-N 3.29Å; G51-G53 VanDerWaalsContact O-N 3.12Å; G53-T55 VanDerWaalsContact C-N 3.3Å; G53-T55 PolarHBondContact O-N 2.78Å; G53-L56 CarbonylContact O-C 3.59Å; G53-L56 WeakPolarHBondContact O-CA 3.38Å; G53-L56 WeakPolarHBondContact O-CB 3.12Å; G53-L56 PolarHBondContact O-N 2.98Å; G53-L57 PolarHBondContact O-N 3.13Å | ||
| 54 | K | 83.2 | Confident | 82.6 | Confident | 9 Ų | 9 | 24.9 Ų | 24.9 | 4% | 0.039 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -54.4 | -47.4 | 172.2 | -57.1 | 175.9 | -164.9 | 161.3 | 0 | 111.5 | L46 G48 P49 L56 L57 A58 A150 T151 N152 F173 | L46-K54 HydrophobicContact CB-CB 4.46Å; L46-K54 HydrophobicContact CD1-CB 4.43Å; G48-K54 VanDerWaalsContact C-NZ 3.34Å; G48-K54 WeakPolarHBondContact O-CE 3.48Å; G48-K54 PolarHBondContact O-NZ 3.25Å; P49-K54 WeakPolarHBondContact O-CE 3.29Å; K54-L56 VanDerWaalsContact C-N 3.32Å; K54-L56 PolarHBondContact O-N 3.02Å; K54-L57 WeakPolarHBondContact O-CB 3.21Å; K54-L57 PolarHBondContact O-N 3.24Å; K54-A58 PolarHBondContact O-N 3.39Å; K54-A58 VanDerWaalsContact O-N 3.14Å; K54-A150 HydrophobicContact CB-CB 4.29Å; K54-A150 HydrophobicContact CD-CB 4.45Å; K54-T151 PolarHBondContact NZ-O 3.34Å; K54-N152 PolarHBondContact NZ-OD1 2.91Å; K54-F173 HydrophobicContact CB-CE2 4.34Å; K54-F173 HydrophobicContact CB-CZ 4.48Å; K54-F173 HydrophobicContact CG-CD2 3.89Å; K54-F173 HydrophobicContact CG-CE2 3.88Å; K54-F173 HydrophobicContact CG-CG 4.26Å; K54-F173 HydrophobicContact CG-CZ 4.26Å |
| 55 | T | 86.1 | Confident | 82.2 | Confident | 34 Ų | 34 | 27.9 Ų | 27.9 | 21% | 0.209 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -61.3 | -39.2 | 173.8 | -36.6 | 0 | 0 | 0 | 0 | 111.9 | G53 A58 H59 F105 D107 | G53-T55 VanDerWaalsContact C-N 3.3Å; G53-T55 PolarHBondContact O-N 2.78Å; T55-A58 PolarHBondContact O-N 3.15Å; T55-H59 PolarHBondContact O-CD2 3.18Å; T55-H59 VanDerWaalsContact O-CD2 3.27Å; T55-H59 PolarHBondContact O-N 2.92Å; T55-H59 VanDerWaalsContact O-N 3.08Å; T55-F105 HydrophobicContact CG2-CE1 3.85Å; T55-F105 HydrophobicContact CG2-CZ 4.31Å; T55-D107 VanDerWaalsContact CG2-OD2 3.29Å; T55-D107 WeakPolarHBondContact CG2-OD2 3.45Å; T55-D107 PolarHBondContact OG1-OD2 3.29Å |
| 56 | L | 84.1 | Confident | 82 | Confident | 127 Ų | 127 | 36.9 Ų | 36.9 | 67% | 0.665 | 21% | 0.209 | S | C | * | . | H | α-helix | trans | -67.1 | -36.1 | 176.9 | -67 | 175.6 | 0 | 0 | 0 | 111.9 | G53 K54 H59 A60 | G53-L56 CarbonylContact O-C 3.59Å; G53-L56 WeakPolarHBondContact O-CA 3.38Å; G53-L56 WeakPolarHBondContact O-CB 3.12Å; G53-L56 PolarHBondContact O-N 2.98Å; K54-L56 VanDerWaalsContact C-N 3.32Å; K54-L56 PolarHBondContact O-N 3.02Å; L56-H59 PolarHBondContact O-N 3.24Å; L56-A60 WeakPolarHBondContact O-CB 3.48Å; L56-A60 PolarHBondContact O-N 3.49Å |
| 57 | L | 82.5 | Confident | 81.9 | Confident | 7 Ų | 7 | 38.4 Ų | 38.4 | 4% | 0.037 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -63.3 | -47.8 | 174.4 | 178.3 | 66.6 | 0 | 0 | 0 | 110.7 | V5 L17 I20 L46 G53 K54 H59 A60 I61 F173 | V5-L57 HydrophobicContact CG1-CD1 3.56Å; L17-L57 HydrophobicContact CD2-CD1 3.85Å; I20-L57 HydrophobicContact CD1-CD2 3.96Å; L46-L57 HydrophobicContact CD1-CD2 4.34Å; L46-L57 HydrophobicContact CD2-CD2 4.47Å; G53-L57 PolarHBondContact O-N 3.13Å; K54-L57 WeakPolarHBondContact O-CB 3.21Å; K54-L57 PolarHBondContact O-N 3.24Å; L57-H59 VanDerWaalsContact C-N 3.31Å; L57-H59 PolarHBondContact O-N 2.9Å; L57-A60 WeakPolarHBondContact O-CB 3.26Å; L57-A60 PolarHBondContact O-N 3.16Å; L57-A60 VanDerWaalsContact O-N 3.08Å; L57-I61 HydrophobicContact CD1-CD1 4.25Å; L57-I61 HydrophobicContact CD1-CG1 4.3Å; L57-I61 HydrophobicContact CD2-CD1 4.4Å; L57-I61 HydrophobicContact CG-CD1 3.91Å; L57-I61 HydrophobicContact CG-CG1 4.39Å; L57-I61 WeakPolarHBondContact O-CG1 3.16Å; L57-I61 PolarHBondContact O-N 3.1Å; L57-F173 HydrophobicContact CB-CZ 4.05Å; L57-F173 HydrophobicContact CD2-CE1 4.17Å; L57-F173 HydrophobicContact CD2-CE2 4.25Å; L57-F173 HydrophobicContact CD2-CZ 3.4Å; L57-F173 VanDerWaalsContact CD2-CZ 3.4Å; L57-F173 HydrophobicContact CG-CZ 4.33Å |
| 58 | A | 86.2 | Confident | 82.2 | Confident | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -58.3 | -44.1 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | K54 T55 A60 I61 A62 F69 F105 | K54-A58 PolarHBondContact O-N 3.39Å; K54-A58 VanDerWaalsContact O-N 3.14Å; T55-A58 PolarHBondContact O-N 3.15Å; A58-A60 PolarHBondContact O-N 3.19Å; A58-I61 PolarHBondContact O-N 3.34Å; A58-A62 PolarHBondContact O-N 3.35Å; A58-A62 VanDerWaalsContact O-N 3.1Å; A58-F69 HydrophobicContact CB-CE2 4.13Å; A58-F69 HydrophobicContact CB-CZ 4.16Å; A58-F105 HydrophobicContact CB-CD1 4.44Å; A58-F105 HydrophobicContact CB-CD2 3.35Å; A58-F105 HydrophobicContact CB-CE2 3.5Å; A58-F105 HydrophobicContact CB-CG 3.87Å; A58-F105 HydrophobicContact CB-CZ 4.13Å |
| 59 | H | 87.2 | Confident | 82.8 | Confident | 82 Ų | 82 | 42.9 Ų | 42.9 | 38% | 0.38 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -61.4 | -41.3 | 172.7 | -86.8 | -72.4 | 0 | 0 | 0 | 113.1 | T55 L56 L57 A62 G63 F69 | T55-H59 PolarHBondContact O-CD2 3.18Å; T55-H59 VanDerWaalsContact O-CD2 3.27Å; T55-H59 PolarHBondContact O-N 2.92Å; T55-H59 VanDerWaalsContact O-N 3.08Å; L56-H59 PolarHBondContact O-N 3.24Å; L57-H59 VanDerWaalsContact C-N 3.31Å; L57-H59 PolarHBondContact O-N 2.9Å; H59-A62 PolarHBondContact O-N 2.71Å; H59-G63 PolarHBondContact O-N 3.15Å; H59-F69 AromaticContact CD2-CE1 3.99Å; H59-F69 AromaticContact CE1-CD1 3.68Å; H59-F69 AromaticContact CE1-CE1 3.23Å; H59-F69 WeakPolarHBondContact CE1-CE1 3.3Å; H59-F69 AromaticContact CG-CE1 3.87Å; H59-F69 AromaticContact ND1-CD1 3.68Å; H59-F69 AromaticContact ND1-CE1 3.38Å; H59-F69 WeakPolarHBondContact ND1-CE1 3.41Å; H59-F69 AromaticContact NE2-CE1 3.62Å |
| 60 | A | 82.2 | Confident | 83.7 | Confident | 5 Ų | 5 | 44.3 Ų | 44.3 | 4% | 0.041 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -66.2 | -38.7 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112 | V2 V5 L56 L57 A58 G63 E64 | V2-A60 HydrophobicContact CG2-CB 4.18Å; V2-A60 WeakPolarHBondContact CG2-O 3.26Å; V5-A60 HydrophobicContact CG2-CB 3.93Å; L56-A60 WeakPolarHBondContact O-CB 3.48Å; L56-A60 PolarHBondContact O-N 3.49Å; L57-A60 WeakPolarHBondContact O-CB 3.26Å; L57-A60 PolarHBondContact O-N 3.16Å; L57-A60 VanDerWaalsContact O-N 3.08Å; A58-A60 PolarHBondContact O-N 3.19Å; A60-G63 PolarHBondContact O-N 3.04Å; A60-E64 WeakPolarHBondContact O-CB 3.36Å; A60-E64 VanDerWaalsContact O-CG 3.26Å; A60-E64 WeakPolarHBondContact O-CG 3.49Å; A60-E64 PolarHBondContact O-N 2.73Å; A60-E64 VanDerWaalsContact O-N 3.15Å |
| 61 | I | 82.6 | Confident | 84.3 | Confident | 3 Ų | 3 | 47.6 Ų | 47.6 | 2% | 0.015 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -60.8 | -50.7 | 174.2 | -67.1 | 165.1 | 0 | 0 | 0 | 109.5 | I20 M24 F44 L57 A58 G63 E64 F65 I103 | I20-I61 HydrophobicContact CD1-CD1 4.48Å; I20-I61 HydrophobicContact CG2-CD1 3.89Å; M24-I61 HydrophobicContact CE-CG2 3.74Å; M24-I61 HydrophobicContact SD-CG2 3.42Å; M24-I61 WeakPolarHBondContact SD-CG2 3.37Å; F44-I61 HydrophobicContact CZ-CD1 4.29Å; L57-I61 HydrophobicContact CD1-CD1 4.25Å; L57-I61 HydrophobicContact CD1-CG1 4.3Å; L57-I61 HydrophobicContact CD2-CD1 4.4Å; L57-I61 HydrophobicContact CG-CD1 3.91Å; L57-I61 HydrophobicContact CG-CG1 4.39Å; L57-I61 WeakPolarHBondContact O-CG1 3.16Å; L57-I61 PolarHBondContact O-N 3.1Å; A58-I61 PolarHBondContact O-N 3.34Å; I61-G63 VanDerWaalsContact C-N 3.33Å; I61-G63 PolarHBondContact O-N 3.48Å; I61-E64 PolarHBondContact O-N 3.46Å; I61-F65 HydrophobicContact CG2-CD2 4.01Å; I61-F65 HydrophobicContact CG2-CE2 4.27Å; I61-F65 VanDerWaalsContact O-CD2 3.32Å; I61-F65 WeakPolarHBondContact O-CD2 3.47Å; I61-F65 PolarHBondContact O-N 3.27Å; I61-F65 VanDerWaalsContact O-N 3.15Å; I61-I103 HydrophobicContact CG2-CD1 3.89Å |
| 62 | A | 86.7 | Confident | 85.1 | Confident | 8 Ų | 8 | 46.7 Ų | 46.7 | 7% | 0.066 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -58.2 | -43.5 | 179 | 0 | 0 | 0 | 0 | 0 | 113.2 | A58 H59 E64 K66 L67 F69 I103 | A58-A62 PolarHBondContact O-N 3.35Å; A58-A62 VanDerWaalsContact O-N 3.1Å; H59-A62 PolarHBondContact O-N 2.71Å; A62-E64 VanDerWaalsContact C-N 3.3Å; A62-E64 PolarHBondContact O-N 2.59Å; A62-K66 WeakPolarHBondContact O-CA 3.45Å; A62-K66 PolarHBondContact O-N 3.46Å; A62-L67 PolarHBondContact O-N 3.2Å; A62-F69 HydrophobicContact CB-CB 3.72Å; A62-F69 HydrophobicContact CB-CD2 3.61Å; A62-F69 HydrophobicContact CB-CE2 4.45Å; A62-F69 HydrophobicContact CB-CG 3.82Å; A62-I103 HydrophobicContact CB-CD1 4.06Å |
| 63 | G | 85.9 | Confident | 85.9 | Confident | 53 Ų | 53 | 47.7 Ų | 47.7 | 55% | 0.546 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -65.1 | -30.3 | 179.2 | 0 | 0 | 0 | 0 | 0 | 114 | H59 A60 I61 | H59-G63 PolarHBondContact O-N 3.15Å; A60-G63 PolarHBondContact O-N 3.04Å; I61-G63 VanDerWaalsContact C-N 3.33Å; I61-G63 PolarHBondContact O-N 3.48Å |
| 64 | E | 78.9 | Confident | 86.4 | Confident | 81 Ų | 81 | 46.7 Ų | 46.7 | 38% | 0.379 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -84.2 | -35.1 | -176.6 | -74.5 | -97.5 | 165.1 | 0 | 0 | 113.1 | M1 V2 A60 I61 A62 K66 | M1-E64 VanDerWaalsContact C-OE1 3.3Å; M1-E64 WeakPolarHBondContact CA-OE1 3.06Å; M1-E64 HydrophobicContact CB-CG 4.44Å; M1-E64 WeakPolarHBondContact CB-OE1 3.45Å; M1-E64 PolarHBondContact N-OE1 2.86Å; V2-E64 HydrophobicContact CB-CB 4.09Å; V2-E64 HydrophobicContact CB-CG 3.5Å; V2-E64 HydrophobicContact CG2-CB 3.86Å; V2-E64 HydrophobicContact CG2-CG 3.44Å; V2-E64 VanDerWaalsContact CG2-CG 3.44Å; V2-E64 PolarHBondContact N-OE1 3.15Å; A60-E64 WeakPolarHBondContact O-CB 3.36Å; A60-E64 VanDerWaalsContact O-CG 3.26Å; A60-E64 WeakPolarHBondContact O-CG 3.49Å; A60-E64 PolarHBondContact O-N 2.73Å; A60-E64 VanDerWaalsContact O-N 3.15Å; I61-E64 PolarHBondContact O-N 3.46Å; A62-E64 VanDerWaalsContact C-N 3.3Å; A62-E64 PolarHBondContact O-N 2.59Å; E64-K66 VanDerWaalsContact C-N 3.3Å |
| 65 | F | 79.7 | Confident | 86.6 | Confident | 63 Ų | 63 | 50 Ų | 50 | 28% | 0.276 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -86.6 | -4.5 | 173.2 | -67.5 | -84 | 0 | 0 | 0 | 112.9 | M24 I61 L67 | M24-F65 HydrophobicContact CB-CZ 4.37Å; M24-F65 HydrophobicContact CE-CB 4.1Å; M24-F65 HydrophobicContact CE-CD1 3.9Å; M24-F65 HydrophobicContact CE-CD2 3.13Å; M24-F65 HydrophobicContact CE-CE1 4.08Å; M24-F65 HydrophobicContact CE-CE2 3.36Å; M24-F65 HydrophobicContact CE-CG 3.42Å; M24-F65 VanDerWaalsContact CE-CG 3.42Å; M24-F65 HydrophobicContact CE-CZ 3.82Å; M24-F65 HydrophobicContact SD-CD2 3.69Å; M24-F65 HydrophobicContact SD-CE2 3.26Å; M24-F65 WeakPolarHBondContact SD-CE2 3.41Å; M24-F65 HydrophobicContact SD-CG 4.47Å; M24-F65 HydrophobicContact SD-CZ 3.73Å; I61-F65 HydrophobicContact CG2-CD2 4.01Å; I61-F65 HydrophobicContact CG2-CE2 4.27Å; I61-F65 VanDerWaalsContact O-CD2 3.32Å; I61-F65 WeakPolarHBondContact O-CD2 3.47Å; I61-F65 PolarHBondContact O-N 3.27Å; I61-F65 VanDerWaalsContact O-N 3.15Å; F65-L67 HydrophobicContact CB-CD1 3.82Å; F65-L67 HydrophobicContact CB-CG 3.8Å; F65-L67 PolarHBondContact O-N 3.38Å |
| 66 | K | 85 | Confident | 86.6 | Confident | 189 Ų | 189 | 53.5 Ų | 53.5 | 82% | 0.822 | 28% | 0.28 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.7 | 39.3 | -176.3 | -59 | -179.5 | 178.7 | 179.9 | 0 | 112 | A62 E64 | A62-K66 WeakPolarHBondContact O-CA 3.45Å; A62-K66 PolarHBondContact O-N 3.46Å; E64-K66 VanDerWaalsContact C-N 3.3Å |
| 67 | L | 85.6 | Confident | 86.7 | Confident | 31 Ų | 31 | 47.5 Ų | 47.5 | 16% | 0.162 | 25% | 0.249 | C | C | . | . | trans | -93.6 | 145.1 | 179.4 | -65 | 174.1 | 0 | 0 | 0 | 110.3 | M24 M27 A62 F65 F69 P101 I103 | M24-L67 HydrophobicContact CE-CD1 4.26Å; M27-L67 HydrophobicContact CE-CD1 3.7Å; M27-L67 HydrophobicContact CE-CD2 4.39Å; A62-L67 PolarHBondContact O-N 3.2Å; F65-L67 HydrophobicContact CB-CD1 3.82Å; F65-L67 HydrophobicContact CB-CG 3.8Å; F65-L67 PolarHBondContact O-N 3.38Å; L67-F69 PolarHBondContact O-N 3.01Å; L67-P101 HydrophobicContact CD2-CB 4.06Å; L67-P101 HydrophobicContact CD2-CG 4.07Å; L67-I103 HydrophobicContact CB-CD1 4.34Å; L67-I103 HydrophobicContact CB-CG1 4.24Å; L67-I103 HydrophobicContact CD1-CD1 4.09Å; L67-I103 HydrophobicContact CD1-CG1 4.02Å | ||
| 68 | P | 91.1 | Very high | 86.7 | Confident | 63 Ų | 63 | 50.8 Ų | 50.8 | 41% | 0.409 | 27% | 0.266 | S | S | . | . | trans | -50.7 | 130.4 | 166.7 | -23.6 | 31.8 | 0 | 0 | 0 | 111.2 | P101 C102 I103 | P68-P101 VanDerWaalsContact CD-O 3.29Å; P68-P101 WeakPolarHBondContact CD-O 3.38Å; P68-C102 HydrophobicContact CB-CB 4.01Å; P68-I103 PolarHBondContact O-N 3.48Å | ||
| 69 | F | 91.9 | Very high | 86.4 | Confident | 51 Ų | 51 | 52.3 Ų | 52.3 | 22% | 0.224 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 112 | -176.8 | -175.6 | -112.7 | 0 | 0 | 0 | 110.7 | A58 H59 A62 L67 K71 I103 F105 | A58-F69 HydrophobicContact CB-CE2 4.13Å; A58-F69 HydrophobicContact CB-CZ 4.16Å; H59-F69 AromaticContact CD2-CE1 3.99Å; H59-F69 AromaticContact CE1-CD1 3.68Å; H59-F69 AromaticContact CE1-CE1 3.23Å; H59-F69 WeakPolarHBondContact CE1-CE1 3.3Å; H59-F69 AromaticContact CG-CE1 3.87Å; H59-F69 AromaticContact ND1-CD1 3.68Å; H59-F69 AromaticContact ND1-CE1 3.38Å; H59-F69 WeakPolarHBondContact ND1-CE1 3.41Å; H59-F69 AromaticContact NE2-CE1 3.62Å; A62-F69 HydrophobicContact CB-CB 3.72Å; A62-F69 HydrophobicContact CB-CD2 3.61Å; A62-F69 HydrophobicContact CB-CE2 4.45Å; A62-F69 HydrophobicContact CB-CG 3.82Å; L67-F69 PolarHBondContact O-N 3.01Å; F69-K71 HydrophobicContact CD1-CB 4.17Å; F69-K71 HydrophobicContact CE1-CB 3.62Å; F69-K71 HydrophobicContact CE1-CD 4.29Å; F69-K71 HydrophobicContact CE1-CG 4.26Å; F69-K71 HydrophobicContact CZ-CB 4.25Å; F69-I103 HydrophobicContact CD2-CB 4.12Å; F69-I103 HydrophobicContact CD2-CG2 3.95Å; F69-I103 HydrophobicContact CE2-CG2 4.1Å; F69-F105 HydrophobicContact CE2-CB 3.5Å; F69-F105 HydrophobicContact CE2-CG 4.14Å; F69-F105 HydrophobicContact CZ-CB 3.61Å; F69-F105 AromaticContact CZ-CD1 3.99Å; F69-F105 HydrophobicContact CZ-CD1 3.99Å; F69-F105 AromaticContact CZ-CG 3.9Å; F69-F105 HydrophobicContact CZ-CG 3.9Å |
| 70 | I | 92.8 | Very high | 85.9 | Confident | 32 Ų | 32 | 52.3 Ų | 52.3 | 16% | 0.164 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 104.2 | 175.3 | -58.1 | 175.3 | 0 | 0 | 0 | 107.6 | I92 A96 I103 L104 F105 | I70-I92 HydrophobicContact CG2-CG2 4.4Å; I70-A96 HydrophobicContact CD1-CB 3.89Å; I70-I103 PolarHBondContact N-O 2.89Å; I70-L104 HydrophobicContact CB-CD1 4.02Å; I70-L104 HydrophobicContact CG2-CD1 3.75Å; I70-F105 PolarHBondContact O-N 3.08Å |
| 71 | K | 92.8 | Very high | 85.8 | Confident | 107 Ų | 107 | 57.4 Ų | 57.4 | 47% | 0.465 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 132.9 | 174.6 | -177 | 174.5 | 179 | -173.8 | 0 | 110.3 | F69 F105 | F69-K71 HydrophobicContact CD1-CB 4.17Å; F69-K71 HydrophobicContact CE1-CB 3.62Å; F69-K71 HydrophobicContact CE1-CD 4.29Å; F69-K71 HydrophobicContact CE1-CG 4.26Å; F69-K71 HydrophobicContact CZ-CB 4.25Å; K71-F105 HydrophobicContact CG-CD1 4.17Å |
| 72 | L | 92.2 | Very high | 85.6 | Confident | 13 Ų | 13 | 60.9 Ų | 60.9 | 7% | 0.068 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 133.4 | 174.5 | -175.3 | 69.7 | 0 | 0 | 0 | 109.6 | E76 I77 I92 F105 I106 D107 | L72-E76 HydrophobicContact CD1-CB 4.36Å; L72-I77 HydrophobicContact CD1-CG1 4.48Å; L72-I77 HydrophobicContact CD2-CD1 3.63Å; L72-I77 HydrophobicContact CD2-CG1 3.64Å; L72-I77 HydrophobicContact CG-CD1 4.42Å; L72-I77 HydrophobicContact CG-CG1 4.14Å; L72-I92 HydrophobicContact CD1-CD1 3.69Å; L72-I92 HydrophobicContact CD2-CD1 3.59Å; L72-I92 HydrophobicContact CD2-CG2 4.39Å; L72-I92 HydrophobicContact CG-CD1 4.27Å; L72-F105 PolarHBondContact N-O 3.4Å; L72-I106 HydrophobicContact CB-CG1 4.46Å; L72-I106 HydrophobicContact CD2-CD1 4.3Å; L72-I106 HydrophobicContact CD2-CG1 4.23Å; L72-I106 WeakPolarHBondContact O-CA 3.45Å; L72-D107 PolarHBondContact O-N 2.89Å |
| 73 | A | 91.3 | Very high | 85.4 | Confident | 23 Ų | 23 | 61.4 Ų | 61.4 | 19% | 0.19 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 134.8 | 165.3 | 0 | 0 | 0 | 0 | 0 | 109.1 | T75 E76 | A73-T75 PolarHBondContact O-N 3.5Å; A73-E76 HydrophobicContact CB-CG 4.05Å; A73-E76 WeakPolarHBondContact O-CB 3.27Å; A73-E76 PolarHBondContact O-N 3.35Å |
| 74 | A | 87 | Confident | 85.6 | Confident | 0 Ų | 0 | 61.8 Ų | 61.8 | 0% | 0 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -56 | -34.4 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | E76 I77 I106 D107 E108 A111 V112 | A74-E76 PolarHBondContact O-N 3.17Å; A74-I77 VanDerWaalsContact O-CB 3.3Å; A74-I77 WeakPolarHBondContact O-CB 3.17Å; A74-I77 PolarHBondContact O-N 2.83Å; A74-I77 VanDerWaalsContact O-N 3.11Å; A74-I106 HydrophobicContact CB-CG2 4.2Å; A74-D107 VanDerWaalsContact CB-O 3.31Å; A74-D107 WeakPolarHBondContact CB-O 3.34Å; A74-D107 PolarHBondContact N-O 2.77Å; A74-E108 WeakPolarHBondContact CB-O 3.46Å; A74-A111 HydrophobicContact CB-CB 4.07Å; A74-V112 HydrophobicContact CB-CG1 4.14Å; A74-V112 HydrophobicContact CB-CG2 3.87Å; A74-V112 VanDerWaalsContact O-CG1 3.24Å; A74-V112 WeakPolarHBondContact O-CG1 3.45Å |
| 75 | T | 86.4 | Confident | 86 | Confident | 77 Ų | 77 | 58.3 Ų | 58.3 | 47% | 0.472 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -63.7 | -27.1 | 176.7 | 51 | 0 | 0 | 0 | 0 | 113.3 | A73 I77 I78 A111 | A73-T75 PolarHBondContact O-N 3.5Å; T75-I77 PolarHBondContact O-N 3.15Å; T75-I78 PolarHBondContact O-N 2.98Å; T75-A111 HydrophobicContact CG2-CB 4.2Å |
| 76 | E | 86.9 | Confident | 86.5 | Confident | 108 Ų | 108 | 57.1 Ų | 57.1 | 51% | 0.505 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -73.3 | -18.4 | 176.5 | -65.7 | 171.5 | -168.4 | 0 | 0 | 112.4 | L72 A73 A74 I78 K88 | L72-E76 HydrophobicContact CD1-CB 4.36Å; A73-E76 HydrophobicContact CB-CG 4.05Å; A73-E76 WeakPolarHBondContact O-CB 3.27Å; A73-E76 PolarHBondContact O-N 3.35Å; A74-E76 PolarHBondContact O-N 3.17Å; E76-I78 VanDerWaalsContact C-N 3.31Å; E76-K88 WeakPolarHBondContact O-CE 3.49Å; E76-K88 PolarHBondContact O-NZ 3.38Å |
| 77 | I | 85.8 | Confident | 86.8 | Confident | 2 Ų | 2 | 53 Ų | 53 | 1% | 0.01 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -71 | -33.5 | 178.4 | -59.3 | 173.9 | 0 | 0 | 0 | 110.5 | L72 A74 T75 S79 S85 I89 V112 I127 | L72-I77 HydrophobicContact CD1-CG1 4.48Å; L72-I77 HydrophobicContact CD2-CD1 3.63Å; L72-I77 HydrophobicContact CD2-CG1 3.64Å; L72-I77 HydrophobicContact CG-CD1 4.42Å; L72-I77 HydrophobicContact CG-CG1 4.14Å; A74-I77 VanDerWaalsContact O-CB 3.3Å; A74-I77 WeakPolarHBondContact O-CB 3.17Å; A74-I77 PolarHBondContact O-N 2.83Å; A74-I77 VanDerWaalsContact O-N 3.11Å; T75-I77 PolarHBondContact O-N 3.15Å; I77-S79 PolarHBondContact O-N 3.29Å; I77-S85 WeakPolarHBondContact O-CA 3.22Å; I77-S85 VanDerWaalsContact O-CB 3.31Å; I77-S85 WeakPolarHBondContact O-CB 3.45Å; I77-S85 PolarHBondContact O-OG 3.48Å; I77-I89 HydrophobicContact CG2-CD1 3.7Å; I77-I89 HydrophobicContact CG2-CG1 3.57Å; I77-V112 HydrophobicContact CB-CG1 4.46Å; I77-I127 HydrophobicContact CG2-CG2 4.37Å |
| 78 | I | 83.4 | Confident | 87 | Confident | 76 Ų | 76 | 55.5 Ų | 55.5 | 39% | 0.39 | 32% | 0.316 | S | S | . | . | trans | -72.8 | 116.3 | -174 | -54.2 | 173.9 | 0 | 0 | 0 | 109.2 | T75 E76 V112 | T75-I78 PolarHBondContact O-N 2.98Å; E76-I78 VanDerWaalsContact C-N 3.31Å; I78-V112 HydrophobicContact CD1-CG1 3.94Å; I78-V112 HydrophobicContact CG1-CG1 3.75Å | ||
| 79 | S | 79.5 | Confident | 87 | Confident | 31 Ų | 31 | 52.6 Ų | 52.6 | 22% | 0.217 | 30% | 0.297 | C | S | . | . | trans | -110.3 | 145.9 | 171.4 | 57.8 | 0 | 0 | 0 | 0 | 109.8 | I77 I81 D84 S85 | I77-S79 PolarHBondContact O-N 3.29Å; S79-I81 PolarHBondContact O-N 2.83Å; S79-I81 PolarHBondContact OG-O 3.49Å; S79-I81 VanDerWaalsContact OG-O 3.06Å; S79-D84 WeakPolarHBondContact OG-CB 3.09Å; S79-S85 PolarHBondContact N-OG 3.21Å; S79-S85 PolarHBondContact OG-N 3.01Å; S79-S85 PolarHBondContact OG-OG 3.25Å | ||
| 80 | G | 76 | Confident | 87 | Confident | 82 Ų | 82 | 55.3 Ų | 55.3 | 85% | 0.845 | 31% | 0.306 | S | S | * | . | S | Bend | trans | -65.6 | -14.5 | 175.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||
| 81 | I | 81.2 | Confident | 87 | Confident | 112 Ų | 112 | 62.5 Ų | 62.5 | 57% | 0.574 | 33% | 0.331 | S | S | * | . | S | Bend | trans | -97.8 | 129 | -179.6 | -54.6 | 173.5 | 0 | 0 | 0 | 109.3 | S79 D84 | S79-I81 PolarHBondContact O-N 2.83Å; S79-I81 PolarHBondContact OG-O 3.49Å; S79-I81 VanDerWaalsContact OG-O 3.06Å; I81-D84 HydrophobicContact CB-CB 4.29Å; I81-D84 WeakPolarHBondContact CB-OD2 3.41Å; I81-D84 WeakPolarHBondContact CG2-OD2 3.17Å; I81-D84 PolarHBondContact O-N 3.44Å |
| 82 | S | 77.6 | Confident | 87 | Confident | 77 Ų | 77 | 58.6 Ų | 58.6 | 54% | 0.538 | 32% | 0.315 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.2 | 135.8 | 177 | -173 | 0 | 0 | 0 | 0 | 111.3 | D84 | S82-D84 PolarHBondContact O-N 2.82Š|
| 83 | G | 83.3 | Confident | 86.9 | Confident | 19 Ų | 19 | 58.5 Ų | 58.5 | 20% | 0.196 | 31% | 0.314 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 81.2 | -21.8 | 180 | 0 | 0 | 0 | 0 | 0 | 115.5 | S85 E86 K87 | G83-S85 VanDerWaalsContact C-N 3.34Å; G83-S85 PolarHBondContact O-N 2.78Å; G83-E86 PolarHBondContact O-N 3.43Å; G83-K87 WeakPolarHBondContact O-CG 3.47Å; G83-K87 PolarHBondContact O-N 2.89Å |
| 84 | D | 88.4 | Confident | 86.9 | Confident | 61 Ų | 61 | 60.4 Ų | 60.4 | 33% | 0.326 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -68.9 | -34.3 | 176.9 | -82.3 | -13 | 0 | 0 | 0 | 112.2 | S79 I81 S82 E86 K87 K88 | S79-D84 WeakPolarHBondContact OG-CB 3.09Å; I81-D84 HydrophobicContact CB-CB 4.29Å; I81-D84 WeakPolarHBondContact CB-OD2 3.41Å; I81-D84 WeakPolarHBondContact CG2-OD2 3.17Å; I81-D84 PolarHBondContact O-N 3.44Å; S82-D84 PolarHBondContact O-N 2.82Å; D84-E86 VanDerWaalsContact C-N 3.32Å; D84-E86 PolarHBondContact O-N 3.13Å; D84-K87 PolarHBondContact O-N 3.32Å; D84-K87 IonicContact OD1-NZ 3.35Å; D84-K88 VanDerWaalsContact O-CB 3.3Å; D84-K88 WeakPolarHBondContact O-CB 3.33Å; D84-K88 PolarHBondContact O-N 2.98Å |
| 85 | S | 88.9 | Confident | 87.1 | Confident | 8 Ų | 8 | 66.3 Ų | 66.3 | 6% | 0.056 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -61.8 | -41.7 | 174.4 | -52.7 | 0 | 0 | 0 | 0 | 111.3 | I77 S79 G83 K88 I89 | I77-S85 WeakPolarHBondContact O-CA 3.22Å; I77-S85 VanDerWaalsContact O-CB 3.31Å; I77-S85 WeakPolarHBondContact O-CB 3.45Å; I77-S85 PolarHBondContact O-OG 3.48Å; S79-S85 PolarHBondContact N-OG 3.21Å; S79-S85 PolarHBondContact OG-N 3.01Å; S79-S85 PolarHBondContact OG-OG 3.25Å; G83-S85 VanDerWaalsContact C-N 3.34Å; G83-S85 PolarHBondContact O-N 2.78Å; S85-K88 PolarHBondContact O-N 3.37Å; S85-I89 WeakPolarHBondContact O-CG1 2.9Å; S85-I89 PolarHBondContact O-N 3.48Å |
| 86 | E | 89.4 | Confident | 87.3 | Confident | 37 Ų | 37 | 62.6 Ų | 62.6 | 17% | 0.173 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -67.4 | -44.9 | 177.9 | -62.6 | 158.8 | -165.4 | 0 | 0 | 111.4 | G83 D84 K88 I89 R90 R126 Q130 | G83-E86 PolarHBondContact O-N 3.43Å; D84-E86 VanDerWaalsContact C-N 3.32Å; D84-E86 PolarHBondContact O-N 3.13Å; E86-K88 VanDerWaalsContact C-N 3.28Å; E86-K88 PolarHBondContact O-N 3.4Å; E86-I89 PolarHBondContact O-N 3.12Å; E86-R90 WeakPolarHBondContact O-CG 3.46Å; E86-R90 PolarHBondContact O-N 3Å; E86-R90 IonicContact OE2-NH2 3.86Å; E86-R126 VanDerWaalsContact OE1-CB 3.28Å; E86-R126 WeakPolarHBondContact OE1-CB 3.5Å; E86-Q130 HydrophobicContact CB-CB 4.45Å; E86-Q130 HydrophobicContact CB-CG 4.04Å; E86-Q130 HydrophobicContact CG-CB 4.22Å; E86-Q130 HydrophobicContact CG-CG 4.36Å |
| 87 | K | 91.1 | Very high | 87.4 | Confident | 102 Ų | 102 | 59.5 Ų | 59.5 | 44% | 0.443 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -60.3 | -39.6 | 174.1 | -72.4 | 175.3 | -172.6 | 166.7 | 0 | 111.3 | G83 D84 R90 R91 | G83-K87 WeakPolarHBondContact O-CG 3.47Å; G83-K87 PolarHBondContact O-N 2.89Å; D84-K87 PolarHBondContact O-N 3.32Å; D84-K87 IonicContact OD1-NZ 3.35Å; K87-R90 PolarHBondContact O-N 3.21Å; K87-R91 WeakPolarHBondContact O-CB 3.14Å; K87-R91 VanDerWaalsContact O-CG 3.26Å; K87-R91 WeakPolarHBondContact O-CG 3.23Å; K87-R91 PolarHBondContact O-N 3.24Å |
| 88 | K | 90.8 | Very high | 87.6 | Confident | 84 Ų | 84 | 66.8 Ų | 66.8 | 37% | 0.365 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -64.2 | -43.9 | 177.6 | -169.1 | 171.4 | -177.5 | 177.1 | 0 | 111.1 | E76 D84 S85 E86 R91 I92 | E76-K88 WeakPolarHBondContact O-CE 3.49Å; E76-K88 PolarHBondContact O-NZ 3.38Å; D84-K88 VanDerWaalsContact O-CB 3.3Å; D84-K88 WeakPolarHBondContact O-CB 3.33Å; D84-K88 PolarHBondContact O-N 2.98Å; S85-K88 PolarHBondContact O-N 3.37Å; E86-K88 VanDerWaalsContact C-N 3.28Å; E86-K88 PolarHBondContact O-N 3.4Å; K88-R91 PolarHBondContact O-N 3.46Å; K88-I92 HydrophobicContact CG-CD1 3.98Å; K88-I92 WeakPolarHBondContact O-CD1 3.3Å; K88-I92 VanDerWaalsContact O-CG1 3.22Å; K88-I92 WeakPolarHBondContact O-CG1 2.72Å; K88-I92 PolarHBondContact O-N 2.84Å |
| 89 | I | 90.9 | Very high | 87.8 | Confident | 3 Ų | 3 | 66.5 Ų | 66.5 | 2% | 0.015 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -57 | -53.2 | 172.8 | -69.5 | 165.1 | 0 | 0 | 0 | 110.4 | I77 S85 E86 R91 I92 F93 I127 Q130 L131 C134 | I77-I89 HydrophobicContact CG2-CD1 3.7Å; I77-I89 HydrophobicContact CG2-CG1 3.57Å; S85-I89 WeakPolarHBondContact O-CG1 2.9Å; S85-I89 PolarHBondContact O-N 3.48Å; E86-I89 PolarHBondContact O-N 3.12Å; I89-R91 VanDerWaalsContact C-N 3.34Å; I89-R91 PolarHBondContact O-N 2.92Å; I89-I92 PolarHBondContact O-N 3.07Å; I89-I92 VanDerWaalsContact O-N 3.11Å; I89-F93 HydrophobicContact CG2-CD2 3.83Å; I89-F93 HydrophobicContact CG2-CE2 3.9Å; I89-F93 WeakPolarHBondContact O-CD2 3.02Å; I89-F93 PolarHBondContact O-N 3.39Å; I89-I127 HydrophobicContact CD1-CG2 3.76Å; I89-Q130 HydrophobicContact CB-CG 4.42Å; I89-Q130 HydrophobicContact CG2-CG 4.31Å; I89-L131 HydrophobicContact CG2-CD1 4.29Å; I89-C134 HydrophobicContact CG2-CB 4.46Å |
| 90 | R | 91.8 | Very high | 88 | Confident | 108 Ų | 108 | 66.7 Ų | 66.7 | 41% | 0.408 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -56.4 | -47.1 | -180 | -68.8 | -177.2 | -144.6 | 142.7 | 9.9 | 112 | E86 K87 I92 F93 S94 Q130 | E86-R90 WeakPolarHBondContact O-CG 3.46Å; E86-R90 PolarHBondContact O-N 3Å; E86-R90 IonicContact OE2-NH2 3.86Å; K87-R90 PolarHBondContact O-N 3.21Å; R90-I92 VanDerWaalsContact C-N 3.31Å; R90-I92 PolarHBondContact O-N 2.86Å; R90-F93 PolarHBondContact O-N 2.8Å; R90-S94 PolarHBondContact O-N 2.74Å; R90-S94 PolarHBondContact O-OG 3.03Å; R90-Q130 HydrophobicContact CG-CG 4.48Å; R90-Q130 VanDerWaalsContact NE-CD 3.32Å; R90-Q130 VanDerWaalsContact NE-OE1 3.11Å |
| 91 | R | 92.1 | Very high | 88.5 | Confident | 182 Ų | 182 | 65.7 Ų | 65.7 | 69% | 0.687 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -58.5 | -40.8 | 177.8 | -74.6 | 173.1 | -177.6 | 174.3 | 1 | 112.6 | K87 K88 I89 K95 | K87-R91 WeakPolarHBondContact O-CB 3.14Å; K87-R91 VanDerWaalsContact O-CG 3.26Å; K87-R91 WeakPolarHBondContact O-CG 3.23Å; K87-R91 PolarHBondContact O-N 3.24Å; K88-R91 PolarHBondContact O-N 3.46Å; I89-R91 VanDerWaalsContact C-N 3.34Å; I89-R91 PolarHBondContact O-N 2.92Å; R91-K95 VanDerWaalsContact O-CB 3.27Å; R91-K95 WeakPolarHBondContact O-CB 3.34Å; R91-K95 PolarHBondContact O-N 3.33Å |
| 92 | I | 92 | Very high | 88.9 | Confident | 25 Ų | 25 | 60.4 Ų | 60.4 | 13% | 0.128 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -67.8 | -42.7 | 179.4 | -68 | 164.3 | 0 | 0 | 0 | 110.6 | I70 L72 K88 I89 R90 K95 A96 L104 | I70-I92 HydrophobicContact CG2-CG2 4.4Å; L72-I92 HydrophobicContact CD1-CD1 3.69Å; L72-I92 HydrophobicContact CD2-CD1 3.59Å; L72-I92 HydrophobicContact CD2-CG2 4.39Å; L72-I92 HydrophobicContact CG-CD1 4.27Å; K88-I92 HydrophobicContact CG-CD1 3.98Å; K88-I92 WeakPolarHBondContact O-CD1 3.3Å; K88-I92 VanDerWaalsContact O-CG1 3.22Å; K88-I92 WeakPolarHBondContact O-CG1 2.72Å; K88-I92 PolarHBondContact O-N 2.84Å; I89-I92 PolarHBondContact O-N 3.07Å; I89-I92 VanDerWaalsContact O-N 3.11Å; R90-I92 VanDerWaalsContact C-N 3.31Å; R90-I92 PolarHBondContact O-N 2.86Å; I92-K95 PolarHBondContact O-N 3.03Å; I92-A96 WeakPolarHBondContact O-CB 3.01Å; I92-A96 PolarHBondContact O-N 3.15Å; I92-L104 HydrophobicContact CG2-CD1 3.78Å |
| 93 | F | 90.7 | Very high | 89.5 | Confident | 11 Ų | 11 | 56.7 Ų | 56.7 | 5% | 0.048 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -66.7 | -43.4 | 176.7 | -85.2 | -107.4 | 0 | 0 | 0 | 111.7 | I89 R90 K95 A96 T97 L104 L131 C134 I135 L138 F147 | I89-F93 HydrophobicContact CG2-CD2 3.83Å; I89-F93 HydrophobicContact CG2-CE2 3.9Å; I89-F93 WeakPolarHBondContact O-CD2 3.02Å; I89-F93 PolarHBondContact O-N 3.39Å; R90-F93 PolarHBondContact O-N 2.8Å; F93-K95 VanDerWaalsContact C-N 3.34Å; F93-K95 PolarHBondContact O-N 3.45Å; F93-A96 WeakPolarHBondContact O-CB 3.17Å; F93-A96 PolarHBondContact O-N 2.68Å; F93-A96 VanDerWaalsContact O-N 3.14Å; F93-T97 PolarHBondContact O-N 2.9Å; F93-T97 PolarHBondContact O-OG1 3.43Å; F93-T97 VanDerWaalsContact O-OG1 3.08Å; F93-L104 HydrophobicContact CD1-CD2 4.33Å; F93-L104 HydrophobicContact CD2-CD2 4.17Å; F93-L104 HydrophobicContact CE1-CD2 4.08Å; F93-L104 HydrophobicContact CE2-CD2 3.91Å; F93-L104 HydrophobicContact CG-CD2 4.38Å; F93-L104 HydrophobicContact CZ-CD2 3.86Å; F93-L131 HydrophobicContact CE2-CD1 3.7Å; F93-L131 HydrophobicContact CZ-CD1 3.75Å; F93-C134 HydrophobicContact CB-CB 4.34Å; F93-C134 HydrophobicContact CD1-CB 3.56Å; F93-C134 HydrophobicContact CD2-CB 4.07Å; F93-C134 HydrophobicContact CE1-CB 3.74Å; F93-C134 HydrophobicContact CE2-CB 4.24Å; F93-C134 HydrophobicContact CG-CB 3.73Å; F93-C134 HydrophobicContact CZ-CB 4.09Å; F93-I135 HydrophobicContact CE1-CG1 4.21Å; F93-I135 HydrophobicContact CZ-CG1 4.26Å; F93-L138 HydrophobicContact CD1-CD1 3.41Å; F93-L138 VanDerWaalsContact CD1-CD1 3.41Å; F93-L138 HydrophobicContact CD1-CG 3.83Å; F93-L138 HydrophobicContact CE1-CD1 3.45Å; F93-L138 VanDerWaalsContact CE1-CD1 3.45Å; F93-L138 HydrophobicContact CE1-CG 4.19Å; F93-F147 HydrophobicContact CZ-CE2 4.23Å |
| 94 | S | 91 | Very high | 89.9 | Confident | 64 Ų | 64 | 55.8 Ų | 55.8 | 45% | 0.448 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -58.5 | -44.9 | 172.7 | -57.5 | 0 | 0 | 0 | 0 | 111.7 | R90 A96 T97 E98 | R90-S94 PolarHBondContact O-N 2.74Å; R90-S94 PolarHBondContact O-OG 3.03Å; S94-A96 VanDerWaalsContact C-N 3.32Å; S94-A96 PolarHBondContact O-N 3.27Å; S94-T97 WeakPolarHBondContact O-CB 3.33Å; S94-T97 PolarHBondContact O-N 3.14Å; S94-E98 WeakPolarHBondContact O-CG 3.22Å; S94-E98 PolarHBondContact O-N 3.4Å |
| 95 | K | 91.7 | Very high | 90.2 | Very high | 123 Ų | 123 | 52.9 Ų | 52.9 | 54% | 0.535 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -63.1 | -36.2 | 175.6 | -175 | 175.4 | -177.8 | 178 | 0 | 112.5 | R91 I92 F93 N99 | R91-K95 VanDerWaalsContact O-CB 3.27Å; R91-K95 WeakPolarHBondContact O-CB 3.34Å; R91-K95 PolarHBondContact O-N 3.33Å; I92-K95 PolarHBondContact O-N 3.03Å; F93-K95 VanDerWaalsContact C-N 3.34Å; F93-K95 PolarHBondContact O-N 3.45Å; K95-N99 PolarHBondContact O-N 2.94Å; K95-N99 PolarHBondContact O-ND2 2.83Å |
| 96 | A | 90.2 | Very high | 90.4 | Very high | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -66 | -43 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111 | I70 I92 F93 S94 N99 A100 C102 L104 V145 | I70-A96 HydrophobicContact CD1-CB 3.89Å; I92-A96 WeakPolarHBondContact O-CB 3.01Å; I92-A96 PolarHBondContact O-N 3.15Å; F93-A96 WeakPolarHBondContact O-CB 3.17Å; F93-A96 PolarHBondContact O-N 2.68Å; F93-A96 VanDerWaalsContact O-N 3.14Å; S94-A96 VanDerWaalsContact C-N 3.32Å; S94-A96 PolarHBondContact O-N 3.27Å; A96-N99 CarbonylContact O-C 3.59Å; A96-N99 PolarHBondContact O-N 2.8Å; A96-A100 PolarHBondContact O-N 2.85Å; A96-C102 PolarHBondContact O-SG 3.38Å; A96-L104 HydrophobicContact CB-CB 4.5Å; A96-L104 HydrophobicContact CB-CD2 4.44Å; A96-V145 HydrophobicContact CB-CG1 4.22Å |
| 97 | T | 88.8 | Confident | 90.5 | Very high | 42 Ų | 42 | 52.1 Ų | 52.1 | 26% | 0.258 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -61.3 | -44.1 | 175.9 | -61.5 | 0 | 0 | 0 | 0 | 112.5 | F93 S94 N99 A100 L138 N143 | F93-T97 PolarHBondContact O-N 2.9Å; F93-T97 PolarHBondContact O-OG1 3.43Å; F93-T97 VanDerWaalsContact O-OG1 3.08Å; S94-T97 WeakPolarHBondContact O-CB 3.33Å; S94-T97 PolarHBondContact O-N 3.14Å; T97-N99 VanDerWaalsContact C-N 3.26Å; T97-N99 PolarHBondContact O-N 2.89Å; T97-A100 WeakPolarHBondContact O-CB 3.38Å; T97-A100 PolarHBondContact O-N 3.4Å; T97-L138 WeakPolarHBondContact OG1-CD2 3.22Å; T97-N143 HydrophobicContact CG2-CB 4.29Å; T97-N143 WeakPolarHBondContact CG2-ND2 3.4Å |
| 98 | E | 90.2 | Very high | 90.4 | Very high | 155 Ų | 155 | 51.7 Ų | 51.7 | 72% | 0.724 | 25% | 0.251 | S | S | * | . | H | α-helix | trans | -62.9 | -30.7 | 176.5 | -72.8 | 167.7 | -166.6 | 0 | 0 | 113.2 | S94 | S94-E98 WeakPolarHBondContact O-CG 3.22Å; S94-E98 PolarHBondContact O-N 3.4Å |
| 99 | N | 89.2 | Confident | 90.3 | Very high | 70 Ų | 70 | 47.7 Ų | 47.7 | 37% | 0.374 | 23% | 0.233 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -94.5 | 12.1 | -179.9 | -70.4 | -63.6 | 0 | 0 | 0 | 113.4 | K95 A96 T97 P101 C102 | K95-N99 PolarHBondContact O-N 2.94Å; K95-N99 PolarHBondContact O-ND2 2.83Å; A96-N99 CarbonylContact O-C 3.59Å; A96-N99 PolarHBondContact O-N 2.8Å; T97-N99 VanDerWaalsContact C-N 3.26Å; T97-N99 PolarHBondContact O-N 2.89Å; N99-P101 CarbonylContact O-C 3.56Å; N99-C102 HydrophobicContact CB-CB 4.34Å; N99-C102 WeakPolarHBondContact O-CB 3.17Å |
| 100 | A | 83.8 | Confident | 90.1 | Very high | 35 Ų | 35 | 48.7 Ų | 48.7 | 29% | 0.289 | 24% | 0.239 | S | C | . | . | trans | -62.4 | 136.8 | -178.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | A96 T97 N143 V145 | A96-A100 PolarHBondContact O-N 2.85Å; T97-A100 WeakPolarHBondContact O-CB 3.38Å; T97-A100 PolarHBondContact O-N 3.4Å; A100-N143 HydrophobicContact CB-CB 4.21Å; A100-V145 HydrophobicContact CB-CG2 4.17Å | ||
| 101 | P | 85.9 | Confident | 89.8 | Confident | 62 Ų | 62 | 45.1 Ų | 45.1 | 40% | 0.403 | 23% | 0.233 | S | C | . | . | S | Bend | cis | -77.3 | 123.4 | 4.3 | 29.3 | -33.5 | 0 | 0 | 0 | 113.5 | M27 L67 P68 N99 H144 | M27-P101 HydrophobicContact CE-CB 3.51Å; L67-P101 HydrophobicContact CD2-CB 4.06Å; L67-P101 HydrophobicContact CD2-CG 4.07Å; P68-P101 VanDerWaalsContact CD-O 3.29Å; P68-P101 WeakPolarHBondContact CD-O 3.38Å; N99-P101 CarbonylContact O-C 3.56Å; P101-H144 CarbonylContact C-O 3.58Å; P101-H144 WeakPolarHBondContact CA-O 2.98Å; P101-H144 HydrophobicContact CB-CB 3.87Å |
| 102 | C | 89.7 | Confident | 89.4 | Confident | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.8 | 165.2 | -179 | 79 | 0 | 0 | 0 | 0 | 114 | P68 A96 N99 H144 V145 L146 | P68-C102 HydrophobicContact CB-CB 4.01Å; A96-C102 PolarHBondContact O-SG 3.38Å; N99-C102 HydrophobicContact CB-CB 4.34Å; N99-C102 WeakPolarHBondContact O-CB 3.17Å; C102-H144 PolarHBondContact N-O 2.66Å; C102-H144 VanDerWaalsContact N-O 3.13Å; C102-V145 WeakPolarHBondContact O-CA 3.47Å; C102-L146 PolarHBondContact O-N 2.89Å |
| 103 | I | 89.7 | Confident | 88.9 | Confident | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 120.3 | 173.4 | -58.5 | -180 | 0 | 0 | 0 | 108.9 | I61 A62 L67 P68 F69 I70 L146 I148 | I61-I103 HydrophobicContact CG2-CD1 3.89Å; A62-I103 HydrophobicContact CB-CD1 4.06Å; L67-I103 HydrophobicContact CB-CD1 4.34Å; L67-I103 HydrophobicContact CB-CG1 4.24Å; L67-I103 HydrophobicContact CD1-CD1 4.09Å; L67-I103 HydrophobicContact CD1-CG1 4.02Å; P68-I103 PolarHBondContact O-N 3.48Å; F69-I103 HydrophobicContact CD2-CB 4.12Å; F69-I103 HydrophobicContact CD2-CG2 3.95Å; F69-I103 HydrophobicContact CE2-CG2 4.1Å; I70-I103 PolarHBondContact N-O 2.89Å; I103-L146 HydrophobicContact CD1-CD2 4.42Å; I103-L146 HydrophobicContact CG1-CB 4.4Å; I103-L146 HydrophobicContact CG1-CD2 4.28Å; I103-I148 HydrophobicContact CG2-CD1 3.61Å; I103-I148 HydrophobicContact CG2-CG1 4.19Å |
| 104 | L | 92.4 | Very high | 88.3 | Confident | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 114 | 172 | 178.4 | 62.5 | 0 | 0 | 0 | 109.1 | I70 I92 F93 A96 V145 L146 F147 I148 | I70-L104 HydrophobicContact CB-CD1 4.02Å; I70-L104 HydrophobicContact CG2-CD1 3.75Å; I92-L104 HydrophobicContact CG2-CD1 3.78Å; F93-L104 HydrophobicContact CD1-CD2 4.33Å; F93-L104 HydrophobicContact CD2-CD2 4.17Å; F93-L104 HydrophobicContact CE1-CD2 4.08Å; F93-L104 HydrophobicContact CE2-CD2 3.91Å; F93-L104 HydrophobicContact CG-CD2 4.38Å; F93-L104 HydrophobicContact CZ-CD2 3.86Å; A96-L104 HydrophobicContact CB-CB 4.5Å; A96-L104 HydrophobicContact CB-CD2 4.44Å; L104-V145 HydrophobicContact CB-CG1 4.3Å; L104-L146 PolarHBondContact N-O 3.04Å; L104-F147 HydrophobicContact CB-CD2 4.31Å; L104-F147 HydrophobicContact CD2-CD2 3.87Å; L104-F147 HydrophobicContact CD2-CE2 4.12Å; L104-F147 HydrophobicContact CG-CD2 4.01Å; L104-F147 HydrophobicContact CG-CE2 4.32Å; L104-I148 PolarHBondContact O-N 3.31Å |
| 105 | F | 93.6 | Very high | 87.3 | Confident | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 119.9 | -179.3 | 177.8 | -99.3 | 0 | 0 | 0 | 111.3 | T55 A58 F69 I70 K71 L72 D107 I148 A150 | T55-F105 HydrophobicContact CG2-CE1 3.85Å; T55-F105 HydrophobicContact CG2-CZ 4.31Å; A58-F105 HydrophobicContact CB-CD1 4.44Å; A58-F105 HydrophobicContact CB-CD2 3.35Å; A58-F105 HydrophobicContact CB-CE2 3.5Å; A58-F105 HydrophobicContact CB-CG 3.87Å; A58-F105 HydrophobicContact CB-CZ 4.13Å; F69-F105 HydrophobicContact CE2-CB 3.5Å; F69-F105 HydrophobicContact CE2-CG 4.14Å; F69-F105 HydrophobicContact CZ-CB 3.61Å; F69-F105 AromaticContact CZ-CD1 3.99Å; F69-F105 HydrophobicContact CZ-CD1 3.99Å; F69-F105 AromaticContact CZ-CG 3.9Å; F69-F105 HydrophobicContact CZ-CG 3.9Å; I70-F105 PolarHBondContact O-N 3.08Å; K71-F105 HydrophobicContact CG-CD1 4.17Å; L72-F105 PolarHBondContact N-O 3.4Å; F105-D107 HydrophobicContact CD1-CB 4.46Å; F105-D107 HydrophobicContact CE1-CB 3.61Å; F105-D107 HydrophobicContact CZ-CB 4.13Å; F105-I148 WeakPolarHBondContact CA-O 3.4Å; F105-I148 HydrophobicContact CD2-CB 3.82Å; F105-I148 HydrophobicContact CD2-CG2 3.57Å; F105-I148 HydrophobicContact CE2-CG2 3.9Å; F105-A150 HydrophobicContact CE2-CB 3.82Å; F105-A150 HydrophobicContact CZ-CB 3.67Å |
| 106 | I | 92.9 | Very high | 86 | Confident | 1 Ų | 1 | 39.5 Ų | 39.5 | 1% | 0.005 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 112.7 | 173.1 | -58.1 | -175.2 | 0 | 0 | 0 | 109.1 | L72 A74 I109 L131 F147 I148 A150 | L72-I106 HydrophobicContact CB-CG1 4.46Å; L72-I106 HydrophobicContact CD2-CD1 4.3Å; L72-I106 HydrophobicContact CD2-CG1 4.23Å; L72-I106 WeakPolarHBondContact O-CA 3.45Å; A74-I106 HydrophobicContact CB-CG2 4.2Å; I106-I109 HydrophobicContact CG2-CB 4.19Å; I106-I109 HydrophobicContact CG2-CG1 4.28Å; I106-L131 HydrophobicContact CD1-CD1 4.13Å; I106-F147 HydrophobicContact CD1-CE2 3.56Å; I106-F147 HydrophobicContact CD1-CZ 3.87Å; I106-F147 HydrophobicContact CG1-CE2 3.84Å; I106-F147 HydrophobicContact CG1-CZ 4.42Å; I106-I148 PolarHBondContact N-O 2.86Å; I106-A150 PolarHBondContact O-N 3.34Å |
| 107 | D | 91.7 | Very high | 84.8 | Confident | 28 Ų | 28 | 47 Ų | 47 | 15% | 0.15 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.7 | 148.7 | 174.1 | -140.4 | -16.5 | 0 | 0 | 0 | 111.2 | T55 L72 A74 F105 I109 | T55-D107 VanDerWaalsContact CG2-OD2 3.29Å; T55-D107 WeakPolarHBondContact CG2-OD2 3.45Å; T55-D107 PolarHBondContact OG1-OD2 3.29Å; L72-D107 PolarHBondContact O-N 2.89Å; A74-D107 VanDerWaalsContact CB-O 3.31Å; A74-D107 WeakPolarHBondContact CB-O 3.34Å; A74-D107 PolarHBondContact N-O 2.77Å; F105-D107 HydrophobicContact CD1-CB 4.46Å; F105-D107 HydrophobicContact CE1-CB 3.61Å; F105-D107 HydrophobicContact CZ-CB 4.13Å; D107-I109 VanDerWaalsContact C-N 3.29Å; D107-I109 PolarHBondContact O-N 3.23Å |
| 108 | E | 88.9 | Confident | 83.7 | Confident | 92 Ų | 92 | 48.6 Ų | 48.6 | 43% | 0.43 | 25% | 0.253 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 50.6 | 44 | 179.1 | -58.3 | -174 | 158.9 | 0 | 0 | 114 | A74 D110 A111 A150 | A74-E108 WeakPolarHBondContact CB-O 3.46Å; E108-D110 PolarHBondContact O-N 2.9Å; E108-A111 VanDerWaalsContact O-CB 3.27Å; E108-A111 WeakPolarHBondContact O-CB 3.15Å; E108-A111 PolarHBondContact O-N 3.49Å; E108-A150 WeakPolarHBondContact CA-O 3.38Å; E108-A150 PolarHBondContact N-O 3.42Å |
| 109 | I | 89.7 | Confident | 82.5 | Confident | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 22% | 0.221 | C | C | . | . | G | 310 helix | trans | -55.8 | -27.7 | -174.7 | -167.8 | 170.4 | 0 | 0 | 0 | 113.3 | L45 I106 D107 A111 V112 T113 L131 F147 A150 L157 L161 F167 | L45-I109 HydrophobicContact CD1-CG2 4.14Å; I106-I109 HydrophobicContact CG2-CB 4.19Å; I106-I109 HydrophobicContact CG2-CG1 4.28Å; D107-I109 VanDerWaalsContact C-N 3.29Å; D107-I109 PolarHBondContact O-N 3.23Å; I109-A111 PolarHBondContact O-N 3.08Å; I109-A111 VanDerWaalsContact O-N 3.13Å; I109-V112 WeakPolarHBondContact O-CG2 3.31Å; I109-V112 PolarHBondContact O-N 3.1Å; I109-V112 VanDerWaalsContact O-N 3.13Å; I109-T113 HydrophobicContact CG1-CG2 4.07Å; I109-T113 PolarHBondContact O-N 3.3Å; I109-T113 PolarHBondContact O-OG1 3.4Å; I109-L131 HydrophobicContact CD1-CD2 4.22Å; I109-F147 HydrophobicContact CD1-CZ 4.36Å; I109-A150 PolarHBondContact N-O 2.82Å; I109-L157 HydrophobicContact CG2-CD1 3.57Å; I109-L161 HydrophobicContact CD1-CD1 4.42Å; I109-F167 HydrophobicContact CD1-CE2 3.88Å; I109-F167 HydrophobicContact CD1-CZ 3.72Å |
| 110 | D | 86.7 | Confident | 81.5 | Confident | 25 Ų | 25 | 47.7 Ų | 47.7 | 13% | 0.134 | 25% | 0.247 | C | C | . | . | G | 310 helix | trans | -62.4 | -15.6 | 174.8 | 51.3 | -57.9 | 0 | 0 | 0 | 114.5 | E108 V112 Q114 T151 | E108-D110 PolarHBondContact O-N 2.9Å; D110-V112 VanDerWaalsContact C-N 3.33Å; D110-Q114 VanDerWaalsContact O-CG 3.23Å; D110-Q114 WeakPolarHBondContact O-CG 3.24Å; D110-T151 WeakPolarHBondContact CB-OG1 2.94Å; D110-T151 WeakPolarHBondContact OD1-CB 3.35Å; D110-T151 PolarHBondContact OD1-OG1 3.21Å |
| 111 | A | 85.3 | Confident | 81.1 | Confident | 33 Ų | 33 | 54 Ų | 54 | 27% | 0.273 | 26% | 0.263 | S | S | . | . | G | 310 helix | trans | -66.9 | -33.6 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | A74 T75 E108 I109 | A74-A111 HydrophobicContact CB-CB 4.07Å; T75-A111 HydrophobicContact CG2-CB 4.2Å; E108-A111 VanDerWaalsContact O-CB 3.27Å; E108-A111 WeakPolarHBondContact O-CB 3.15Å; E108-A111 PolarHBondContact O-N 3.49Å; I109-A111 PolarHBondContact O-N 3.08Å; I109-A111 VanDerWaalsContact O-N 3.13Å |
| 112 | V | 83.5 | Confident | 80.8 | Confident | 2 Ų | 2 | 57 Ų | 57 | 1% | 0.012 | 27% | 0.272 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -106.5 | -24.8 | -179.5 | -68.5 | 0 | 0 | 0 | 0 | 113.1 | A74 I77 I78 I109 D110 I127 V128 | A74-V112 HydrophobicContact CB-CG1 4.14Å; A74-V112 HydrophobicContact CB-CG2 3.87Å; A74-V112 VanDerWaalsContact O-CG1 3.24Å; A74-V112 WeakPolarHBondContact O-CG1 3.45Å; I77-V112 HydrophobicContact CB-CG1 4.46Å; I78-V112 HydrophobicContact CD1-CG1 3.94Å; I78-V112 HydrophobicContact CG1-CG1 3.75Å; I109-V112 WeakPolarHBondContact O-CG2 3.31Å; I109-V112 PolarHBondContact O-N 3.1Å; I109-V112 VanDerWaalsContact O-N 3.13Å; D110-V112 VanDerWaalsContact C-N 3.33Å; V112-I127 HydrophobicContact CB-CG2 4.02Å; V112-I127 HydrophobicContact CG1-CG2 4.41Å; V112-V128 VanDerWaalsContact O-CG2 3.31Å; V112-V128 WeakPolarHBondContact O-CG2 3.22Å |
| 113 | T | 81.1 | Confident | 80.3 | Confident | 0 Ų | 0 | 60.8 Ų | 60.8 | 0% | 0 | 29% | 0.291 | C | S | . | . | trans | -109.3 | 48.9 | -175.6 | 65.9 | 0 | 0 | 0 | 0 | 113.5 | I109 V128 L131 L157 D158 L161 | I109-T113 HydrophobicContact CG1-CG2 4.07Å; I109-T113 PolarHBondContact O-N 3.3Å; I109-T113 PolarHBondContact O-OG1 3.4Å; T113-V128 HydrophobicContact CG2-CG2 3.97Å; T113-L131 HydrophobicContact CG2-CD2 3.62Å; T113-L157 CarbonylContact O-C 3.55Å; T113-L157 WeakPolarHBondContact O-CA 3.45Å; T113-D158 PolarHBondContact O-N 3.37Å; T113-L161 VanDerWaalsContact CB-CD1 3.49Å; T113-L161 HydrophobicContact CG2-CD1 3.52Å | ||
| 114 | Q | 78 | Confident | 79.9 | Confident | 83 Ų | 83 | 61.7 Ų | 61.7 | 39% | 0.388 | 30% | 0.295 | S | S | . | . | B | Isolated β-bridge | trans | -67 | 154.3 | 171.2 | -64.9 | -175.1 | 5.7 | 0 | 0 | 110.9 | D110 R116 V119 S156 | D110-Q114 VanDerWaalsContact O-CG 3.23Å; D110-Q114 WeakPolarHBondContact O-CG 3.24Å; Q114-R116 PolarHBondContact O-N 2.8Å; Q114-V119 HydrophobicContact CB-CG2 3.42Å; Q114-V119 VanDerWaalsContact CB-CG2 3.42Å; Q114-S156 CarbonylContact C-O 3.59Å; Q114-S156 WeakPolarHBondContact CA-O 3.14Å |
| 115 | R | 70.1 | Confident | 79.5 | Confident | 108 Ų | 108 | 67 Ų | 67 | 41% | 0.408 | 32% | 0.315 | S | S | . | . | trans | -56.8 | 130.3 | 178 | -62.5 | -171.5 | -174.3 | -177.6 | -1.1 | 111.3 | D117 S118 V119 E155 S156 | R115-D117 PolarHBondContact O-N 2.82Å; R115-S118 PolarHBondContact O-N 2.91Å; R115-S118 PolarHBondContact O-OG 3.23Å; R115-V119 VanDerWaalsContact O-CG2 3.29Å; R115-V119 WeakPolarHBondContact O-CG2 3.41Å; R115-V119 PolarHBondContact O-N 3.22Å; R115-E155 PolarHBondContact NE-O 3.38Å; R115-E155 PolarHBondContact NH2-O 3.03Å; R115-S156 PolarHBondContact N-O 3.18Å; R115-S156 VanDerWaalsContact N-O 3.12Å | ||
| 116 | R | 65.6 | Low | 79.1 | Confident | 93 Ų | 93 | 72.4 Ų | 72.4 | 35% | 0.351 | 34% | 0.336 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.2 | -35 | -178.7 | -60.5 | 177.5 | -173.7 | -147.7 | -6.4 | 113.5 | Q114 S118 R125 D158 | Q114-R116 PolarHBondContact O-N 2.8Å; R116-S118 VanDerWaalsContact C-N 3.33Å; R116-R125 PolarHBondContact O-NE 3.34Å; R116-R125 PolarHBondContact O-NH2 3.23Å; R116-D158 WeakPolarHBondContact CG-OD2 3.29Å; R116-D158 IonicContact CZ-OD2 3.45Å; R116-D158 IonicContact NE-OD2 2.7Å; R116-D158 PolarHBondContact NE-OD2 3.07Å; R116-D158 IonicContact NH2-OD2 2.82Å |
| 117 | D | 64.7 | Low | 78.8 | Confident | 157 Ų | 157 | 72.6 Ų | 72.6 | 84% | 0.84 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.4 | -28.5 | 179.4 | -53.8 | -29.4 | 0 | 0 | 0 | 113 | R115 | R115-D117 PolarHBondContact O-N 2.82Š|
| 118 | S | 64.4 | Low | 78.5 | Confident | 77 Ų | 77 | 71.4 Ų | 71.4 | 54% | 0.538 | 33% | 0.331 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.1 | -15.4 | 179.9 | 61.5 | 0 | 0 | 0 | 0 | 113.9 | R115 R116 | R115-S118 PolarHBondContact O-N 2.91Å; R115-S118 PolarHBondContact O-OG 3.23Å; R116-S118 VanDerWaalsContact C-N 3.33Å |
| 119 | V | 65.1 | Low | 78.5 | Confident | 8 Ų | 8 | 69.6 Ų | 69.6 | 5% | 0.048 | 33% | 0.328 | C | S | . | . | trans | -87.2 | 116.7 | -173.3 | 170.3 | 0 | 0 | 0 | 0 | 110.3 | Q114 R115 R121 D124 R125 | Q114-V119 HydrophobicContact CB-CG2 3.42Å; Q114-V119 VanDerWaalsContact CB-CG2 3.42Å; R115-V119 VanDerWaalsContact O-CG2 3.29Å; R115-V119 WeakPolarHBondContact O-CG2 3.41Å; R115-V119 PolarHBondContact O-N 3.22Å; V119-R121 HydrophobicContact CG1-CB 4.5Å; V119-R121 WeakPolarHBondContact CG1-O 3.46Å; V119-D124 HydrophobicContact CG1-CB 3.65Å; V119-R125 HydrophobicContact CG1-CG 4.09Å; V119-R125 PolarHBondContact O-NH2 3.45Å | ||
| 120 | Q | 69.6 | Low | 78.5 | Confident | 197 Ų | 197 | 70.9 Ų | 70.9 | 92% | 0.921 | 33% | 0.334 | S | S | * | . | trans | -78.3 | -26.4 | 173.2 | -68.9 | 179.1 | -13.7 | 0 | 0 | 112.8 | ||||
| 121 | R | 74.7 | Confident | 78.6 | Confident | 168 Ų | 168 | 69.8 Ų | 69.8 | 63% | 0.634 | 33% | 0.328 | S | S | * | . | trans | -88.1 | 118.7 | -174.2 | -64 | 179.7 | 179.9 | 179.6 | -0.2 | 111 | V119 M123 D124 | V119-R121 HydrophobicContact CG1-CB 4.5Å; V119-R121 WeakPolarHBondContact CG1-O 3.46Å; R121-M123 PolarHBondContact O-N 3.24Å; R121-D124 PolarHBondContact O-N 3.03Å | ||
| 122 | E | 78.9 | Confident | 78.7 | Confident | 126 Ų | 126 | 68.6 Ų | 68.6 | 59% | 0.589 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -57.8 | -33.5 | 174.8 | -71.8 | -169.4 | -179.4 | 0 | 0 | 113.1 | D124 R125 R126 | E122-D124 VanDerWaalsContact C-N 3.32Å; E122-D124 PolarHBondContact O-N 3.07Å; E122-R125 PolarHBondContact O-N 2.72Å; E122-R126 PolarHBondContact O-N 3.16Å; E122-R126 IonicContact OE2-NH2 3.94Å; E122-R126 PolarHBondContact OE2-NH2 3.33Å; E122-R126 VanDerWaalsContact OE2-NH2 3.11Å |
| 123 | M | 80.4 | Confident | 79 | Confident | 78 Ų | 78 | 70.9 Ų | 70.9 | 38% | 0.384 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -56.8 | -45.7 | -179.9 | -63.3 | -165.5 | -63.1 | 0 | 0 | 111.7 | R121 R125 R126 I127 | R121-M123 PolarHBondContact O-N 3.24Å; M123-R125 VanDerWaalsContact C-N 3.32Å; M123-R125 PolarHBondContact O-N 3.37Å; M123-R126 PolarHBondContact O-N 3.05Å; M123-R126 VanDerWaalsContact O-N 3.16Å; M123-I127 WeakPolarHBondContact O-CG1 3.34Å; M123-I127 PolarHBondContact O-N 3Å |
| 124 | D | 81.8 | Confident | 79.4 | Confident | 19 Ų | 19 | 71 Ų | 71 | 10% | 0.102 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -64.5 | -38.1 | -178.6 | -59.6 | -15.4 | 0 | 0 | 0 | 110.9 | V119 R121 E122 R126 I127 V128 | V119-D124 HydrophobicContact CG1-CB 3.65Å; R121-D124 PolarHBondContact O-N 3.03Å; E122-D124 VanDerWaalsContact C-N 3.32Å; E122-D124 PolarHBondContact O-N 3.07Å; D124-R126 VanDerWaalsContact C-N 3.31Å; D124-R126 PolarHBondContact O-N 3.37Å; D124-I127 PolarHBondContact O-N 3.35Å; D124-V128 WeakPolarHBondContact O-CG2 3.33Å; D124-V128 PolarHBondContact O-N 3.03Å |
| 125 | R | 82.5 | Confident | 79.8 | Confident | 111 Ų | 111 | 67.5 Ų | 67.5 | 42% | 0.419 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -62.5 | -37.1 | 175.8 | -66.3 | -177.5 | 176.6 | 173.4 | -1.3 | 112.6 | R116 V119 E122 M123 S129 | R116-R125 PolarHBondContact O-NE 3.34Å; R116-R125 PolarHBondContact O-NH2 3.23Å; V119-R125 HydrophobicContact CG1-CG 4.09Å; V119-R125 PolarHBondContact O-NH2 3.45Å; E122-R125 PolarHBondContact O-N 2.72Å; M123-R125 VanDerWaalsContact C-N 3.32Å; M123-R125 PolarHBondContact O-N 3.37Å; R125-S129 PolarHBondContact O-N 3.12Å; R125-S129 VanDerWaalsContact O-N 3.1Å; R125-S129 PolarHBondContact O-OG 3.09Å |
| 126 | R | 84.7 | Confident | 80.6 | Confident | 115 Ų | 115 | 64.8 Ų | 64.8 | 43% | 0.434 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -70.9 | -41.4 | 177.3 | -62.1 | 178.9 | -166.6 | -172.7 | 4.6 | 111.3 | E86 E122 M123 D124 V128 S129 Q130 | E86-R126 VanDerWaalsContact OE1-CB 3.28Å; E86-R126 WeakPolarHBondContact OE1-CB 3.5Å; E122-R126 PolarHBondContact O-N 3.16Å; E122-R126 IonicContact OE2-NH2 3.94Å; E122-R126 PolarHBondContact OE2-NH2 3.33Å; E122-R126 VanDerWaalsContact OE2-NH2 3.11Å; M123-R126 PolarHBondContact O-N 3.05Å; M123-R126 VanDerWaalsContact O-N 3.16Å; D124-R126 VanDerWaalsContact C-N 3.31Å; D124-R126 PolarHBondContact O-N 3.37Å; R126-V128 VanDerWaalsContact C-N 3.34Å; R126-V128 PolarHBondContact O-N 3.49Å; R126-S129 PolarHBondContact O-N 3.31Å; R126-Q130 WeakPolarHBondContact O-CB 3.22Å; R126-Q130 PolarHBondContact O-N 3.19Å |
| 127 | I | 87.2 | Confident | 81.5 | Confident | 4 Ų | 4 | 65.8 Ų | 65.8 | 2% | 0.021 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -57.2 | -47.1 | 174.1 | -68.2 | 169.7 | 0 | 0 | 0 | 110.7 | I77 I89 V112 M123 D124 S129 Q130 L131 | I77-I127 HydrophobicContact CG2-CG2 4.37Å; I89-I127 HydrophobicContact CD1-CG2 3.76Å; V112-I127 HydrophobicContact CB-CG2 4.02Å; V112-I127 HydrophobicContact CG1-CG2 4.41Å; M123-I127 WeakPolarHBondContact O-CG1 3.34Å; M123-I127 PolarHBondContact O-N 3Å; D124-I127 PolarHBondContact O-N 3.35Å; I127-S129 PolarHBondContact O-N 3.33Å; I127-Q130 PolarHBondContact O-N 2.81Å; I127-L131 WeakPolarHBondContact O-CB 3.27Å; I127-L131 PolarHBondContact O-N 2.75Å |
| 128 | V | 86.8 | Confident | 82.3 | Confident | 3 Ų | 3 | 59 Ų | 59 | 2% | 0.018 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -59.3 | -48.6 | 175.9 | 175.5 | 0 | 0 | 0 | 0 | 111.2 | V112 T113 D124 R126 Q130 L131 L132 D158 | V112-V128 VanDerWaalsContact O-CG2 3.31Å; V112-V128 WeakPolarHBondContact O-CG2 3.22Å; T113-V128 HydrophobicContact CG2-CG2 3.97Å; D124-V128 WeakPolarHBondContact O-CG2 3.33Å; D124-V128 PolarHBondContact O-N 3.03Å; R126-V128 VanDerWaalsContact C-N 3.34Å; R126-V128 PolarHBondContact O-N 3.49Å; V128-Q130 VanDerWaalsContact C-N 3.32Å; V128-Q130 PolarHBondContact O-N 3.39Å; V128-L131 PolarHBondContact O-N 3.16Å; V128-L132 HydrophobicContact CG1-CD1 4.07Å; V128-L132 HydrophobicContact CG1-CG 4.32Å; V128-L132 VanDerWaalsContact O-CG 3.26Å; V128-L132 WeakPolarHBondContact O-CG 3.46Å; V128-L132 PolarHBondContact O-N 3Å; V128-D158 HydrophobicContact CG1-CB 4.4Å; V128-D158 WeakPolarHBondContact CG1-OD2 3.18Å |
| 129 | S | 87.6 | Confident | 82.8 | Confident | 54 Ų | 54 | 58.3 Ų | 58.3 | 38% | 0.378 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -62.4 | -40.3 | -178.4 | -56.8 | 0 | 0 | 0 | 0 | 112.1 | R125 R126 I127 L132 S133 | R125-S129 PolarHBondContact O-N 3.12Å; R125-S129 VanDerWaalsContact O-N 3.1Å; R125-S129 PolarHBondContact O-OG 3.09Å; R126-S129 PolarHBondContact O-N 3.31Å; I127-S129 PolarHBondContact O-N 3.33Å; S129-L132 PolarHBondContact O-N 3.4Å; S129-S133 PolarHBondContact O-N 2.76Å |
| 130 | Q | 89.9 | Confident | 83.2 | Confident | 28 Ų | 28 | 63.6 Ų | 63.6 | 13% | 0.131 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -66.7 | -42.2 | 175.7 | -175.6 | 64.3 | 60.5 | 0 | 0 | 112 | E86 I89 R90 R126 I127 V128 L132 S133 C134 | E86-Q130 HydrophobicContact CB-CB 4.45Å; E86-Q130 HydrophobicContact CB-CG 4.04Å; E86-Q130 HydrophobicContact CG-CB 4.22Å; E86-Q130 HydrophobicContact CG-CG 4.36Å; I89-Q130 HydrophobicContact CB-CG 4.42Å; I89-Q130 HydrophobicContact CG2-CG 4.31Å; R90-Q130 HydrophobicContact CG-CG 4.48Å; R90-Q130 VanDerWaalsContact NE-CD 3.32Å; R90-Q130 VanDerWaalsContact NE-OE1 3.11Å; R126-Q130 WeakPolarHBondContact O-CB 3.22Å; R126-Q130 PolarHBondContact O-N 3.19Å; I127-Q130 PolarHBondContact O-N 2.81Å; V128-Q130 VanDerWaalsContact C-N 3.32Å; V128-Q130 PolarHBondContact O-N 3.39Å; Q130-L132 VanDerWaalsContact C-N 3.33Å; Q130-L132 PolarHBondContact O-N 3.44Å; Q130-S133 PolarHBondContact O-N 2.94Å; Q130-C134 PolarHBondContact NE2-SG 2.77Å; Q130-C134 PolarHBondContact O-N 3.23Å; Q130-C134 PolarHBondContact O-SG 2.92Å |
| 131 | L | 89.2 | Confident | 83.4 | Confident | 1 Ų | 1 | 55.4 Ų | 55.4 | 1% | 0.005 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -61.5 | -43.5 | 177.1 | -175.2 | 69.4 | 0 | 0 | 0 | 111.1 | I89 F93 I106 I109 T113 I127 V128 C134 I135 | I89-L131 HydrophobicContact CG2-CD1 4.29Å; F93-L131 HydrophobicContact CE2-CD1 3.7Å; F93-L131 HydrophobicContact CZ-CD1 3.75Å; I106-L131 HydrophobicContact CD1-CD1 4.13Å; I109-L131 HydrophobicContact CD1-CD2 4.22Å; T113-L131 HydrophobicContact CG2-CD2 3.62Å; I127-L131 WeakPolarHBondContact O-CB 3.27Å; I127-L131 PolarHBondContact O-N 2.75Å; V128-L131 PolarHBondContact O-N 3.16Å; L131-C134 PolarHBondContact O-N 3Å; L131-I135 HydrophobicContact CG-CD1 4.22Å; L131-I135 VanDerWaalsContact O-CG1 3.31Å; L131-I135 WeakPolarHBondContact O-CG1 3.48Å; L131-I135 PolarHBondContact O-N 3.11Å |
| 132 | L | 88.3 | Confident | 83.2 | Confident | 8 Ų | 8 | 54.5 Ų | 54.5 | 4% | 0.042 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -60.6 | -47.5 | 175.6 | -67.9 | 179.5 | 0 | 0 | 0 | 111.9 | V128 S129 Q130 C134 I135 D136 A160 L161 R166 | V128-L132 HydrophobicContact CG1-CD1 4.07Å; V128-L132 HydrophobicContact CG1-CG 4.32Å; V128-L132 VanDerWaalsContact O-CG 3.26Å; V128-L132 WeakPolarHBondContact O-CG 3.46Å; V128-L132 PolarHBondContact O-N 3Å; S129-L132 PolarHBondContact O-N 3.4Å; Q130-L132 VanDerWaalsContact C-N 3.33Å; Q130-L132 PolarHBondContact O-N 3.44Å; L132-C134 VanDerWaalsContact C-N 3.3Å; L132-C134 PolarHBondContact O-N 3.35Å; L132-I135 PolarHBondContact O-N 3.03Å; L132-I135 VanDerWaalsContact O-N 3.16Å; L132-D136 PolarHBondContact O-N 3.06Å; L132-A160 HydrophobicContact CD1-CB 3.94Å; L132-L161 HydrophobicContact CD2-CD2 3.35Å; L132-L161 HydrophobicContact CD2-CG 3.72Å; L132-R166 VanDerWaalsContact CD2-NH1 3.3Å |
| 133 | S | 88.6 | Confident | 82.8 | Confident | 50 Ų | 50 | 51.5 Ų | 51.5 | 35% | 0.35 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -56.8 | -43.9 | 176 | -168.7 | 0 | 0 | 0 | 0 | 111.9 | S129 Q130 I135 D136 E137 | S129-S133 PolarHBondContact O-N 2.76Å; Q130-S133 PolarHBondContact O-N 2.94Å; S133-I135 VanDerWaalsContact C-N 3.34Å; S133-I135 PolarHBondContact O-N 3.34Å; S133-D136 PolarHBondContact O-N 2.75Å; S133-E137 WeakPolarHBondContact O-CB 3.39Å; S133-E137 VanDerWaalsContact O-CG 3.3Å; S133-E137 WeakPolarHBondContact O-CG 2.86Å; S133-E137 PolarHBondContact O-N 3.42Å; S133-E137 PolarHBondContact OG-OE1 2.85Å |
| 134 | C | 89.2 | Confident | 82.8 | Confident | 2 Ų | 2 | 50.5 Ų | 50.5 | 1% | 0.014 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -68.1 | -31.4 | 179.4 | -68.6 | 0 | 0 | 0 | 0 | 113.1 | I89 F93 Q130 L131 L132 L138 | I89-C134 HydrophobicContact CG2-CB 4.46Å; F93-C134 HydrophobicContact CB-CB 4.34Å; F93-C134 HydrophobicContact CD1-CB 3.56Å; F93-C134 HydrophobicContact CD2-CB 4.07Å; F93-C134 HydrophobicContact CE1-CB 3.74Å; F93-C134 HydrophobicContact CE2-CB 4.24Å; F93-C134 HydrophobicContact CG-CB 3.73Å; F93-C134 HydrophobicContact CZ-CB 4.09Å; Q130-C134 PolarHBondContact NE2-SG 2.77Å; Q130-C134 PolarHBondContact O-N 3.23Å; Q130-C134 PolarHBondContact O-SG 2.92Å; L131-C134 PolarHBondContact O-N 3Å; L132-C134 VanDerWaalsContact C-N 3.3Å; L132-C134 PolarHBondContact O-N 3.35Å; C134-L138 WeakPolarHBondContact O-CG 3.26Å; C134-L138 PolarHBondContact O-N 3.05Å; C134-L138 VanDerWaalsContact O-N 3.12Å |
| 135 | I | 87.4 | Confident | 83 | Confident | 10 Ų | 10 | 49.8 Ų | 49.8 | 5% | 0.051 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -69.5 | -44.9 | 173.3 | -64.5 | 162.5 | 0 | 0 | 0 | 110.1 | F93 L131 L132 S133 E137 L138 E139 F147 L161 R166 | F93-I135 HydrophobicContact CE1-CG1 4.21Å; F93-I135 HydrophobicContact CZ-CG1 4.26Å; L131-I135 HydrophobicContact CG-CD1 4.22Å; L131-I135 VanDerWaalsContact O-CG1 3.31Å; L131-I135 WeakPolarHBondContact O-CG1 3.48Å; L131-I135 PolarHBondContact O-N 3.11Å; L132-I135 PolarHBondContact O-N 3.03Å; L132-I135 VanDerWaalsContact O-N 3.16Å; S133-I135 VanDerWaalsContact C-N 3.34Å; S133-I135 PolarHBondContact O-N 3.34Å; I135-E137 VanDerWaalsContact C-N 3.28Å; I135-E137 PolarHBondContact O-N 3.4Å; I135-L138 WeakPolarHBondContact O-CB 3.38Å; I135-L138 PolarHBondContact O-N 2.94Å; I135-L138 VanDerWaalsContact O-N 3.13Å; I135-E139 PolarHBondContact O-N 3.14Å; I135-F147 HydrophobicContact CD1-CD1 4.17Å; I135-F147 HydrophobicContact CD1-CE1 3.54Å; I135-F147 HydrophobicContact CD1-CZ 4.17Å; I135-F147 HydrophobicContact CG1-CD1 4.21Å; I135-F147 HydrophobicContact CG1-CE1 3.95Å; I135-F147 HydrophobicContact CG1-CZ 4.49Å; I135-L161 HydrophobicContact CD1-CD2 3.78Å; I135-R166 HydrophobicContact CG2-CB 4.08Å; I135-R166 HydrophobicContact CG2-CG 3.83Å |
| 136 | D | 85.6 | Confident | 83.2 | Confident | 51 Ų | 51 | 44.5 Ų | 44.5 | 27% | 0.273 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -64.8 | -33.7 | 179.3 | -58.5 | -14.5 | 0 | 0 | 0 | 111 | L132 S133 E139 N140 R166 | L132-D136 PolarHBondContact O-N 3.06Å; S133-D136 PolarHBondContact O-N 2.75Å; D136-E139 PolarHBondContact O-N 3.46Å; D136-N140 PolarHBondContact O-N 3.17Å; D136-N140 PolarHBondContact O-ND2 3.45Å; D136-R166 IonicContact OD1-CZ 2.7Å; D136-R166 IonicContact OD1-NE 3.76Å; D136-R166 PolarHBondContact OD1-NE 2.95Å; D136-R166 IonicContact OD1-NH2 2.75Å; D136-R166 PolarHBondContact OD1-NH2 2.99Å; D136-R166 IonicContact OD2-CZ 3.88Å; D136-R166 IonicContact OD2-NE 3.34Å; D136-R166 IonicContact OD2-NH2 3.57Å; D136-R166 PolarHBondContact OD2-NH2 3.46Å |
| 137 | E | 85.7 | Confident | 83.5 | Confident | 114 Ų | 114 | 39.2 Ų | 39.2 | 53% | 0.533 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -65.8 | -41.3 | 171 | -77 | 166.3 | -150.8 | 0 | 0 | 112.5 | S133 I135 E139 N140 S141 | S133-E137 WeakPolarHBondContact O-CB 3.39Å; S133-E137 VanDerWaalsContact O-CG 3.3Å; S133-E137 WeakPolarHBondContact O-CG 2.86Å; S133-E137 PolarHBondContact O-N 3.42Å; S133-E137 PolarHBondContact OG-OE1 2.85Å; I135-E137 VanDerWaalsContact C-N 3.28Å; I135-E137 PolarHBondContact O-N 3.4Å; E137-E139 VanDerWaalsContact C-N 3.33Å; E137-N140 PolarHBondContact O-N 3.41Å; E137-S141 PolarHBondContact O-N 2.89Å |
| 138 | L | 81.2 | Confident | 83.6 | Confident | 16 Ų | 16 | 39 Ų | 39 | 8% | 0.084 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -64.6 | -37.8 | 175.3 | -76.3 | -178.5 | 0 | 0 | 0 | 112 | F93 T97 C134 I135 N140 S141 V145 | F93-L138 HydrophobicContact CD1-CD1 3.41Å; F93-L138 VanDerWaalsContact CD1-CD1 3.41Å; F93-L138 HydrophobicContact CD1-CG 3.83Å; F93-L138 HydrophobicContact CE1-CD1 3.45Å; F93-L138 VanDerWaalsContact CE1-CD1 3.45Å; F93-L138 HydrophobicContact CE1-CG 4.19Å; T97-L138 WeakPolarHBondContact OG1-CD2 3.22Å; C134-L138 WeakPolarHBondContact O-CG 3.26Å; C134-L138 PolarHBondContact O-N 3.05Å; C134-L138 VanDerWaalsContact O-N 3.12Å; I135-L138 WeakPolarHBondContact O-CB 3.38Å; I135-L138 PolarHBondContact O-N 2.94Å; I135-L138 VanDerWaalsContact O-N 3.13Å; L138-N140 VanDerWaalsContact C-N 3.26Å; L138-N140 PolarHBondContact O-N 3.22Å; L138-S141 PolarHBondContact O-N 3.41Å; L138-S141 VanDerWaalsContact O-N 3.15Å; L138-S141 PolarHBondContact O-OG 2.86Å; L138-V145 HydrophobicContact CD1-CG1 4.23Å; L138-V145 HydrophobicContact CD2-CB 4.39Å; L138-V145 HydrophobicContact CD2-CG2 4.35Å |
| 139 | E | 74.4 | Confident | 83.9 | Confident | 62 Ų | 62 | 38.9 Ų | 38.9 | 29% | 0.29 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -63.2 | -33.4 | 179 | -163.4 | -166.5 | 159.8 | 0 | 0 | 112.4 | I135 D136 E137 S141 | I135-E139 PolarHBondContact O-N 3.14Å; D136-E139 PolarHBondContact O-N 3.46Å; E137-E139 VanDerWaalsContact C-N 3.33Å; E139-S141 VanDerWaalsContact C-N 3.31Å |
| 140 | N | 73.9 | Confident | 84.1 | Confident | 118 Ų | 118 | 36.4 Ų | 36.4 | 63% | 0.631 | 19% | 0.192 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -84.5 | -6.7 | 178.1 | -69.3 | -46.1 | 0 | 0 | 0 | 113.7 | K39 D136 E137 L138 | K39-N140 PolarHBondContact NZ-OD1 3.02Å; D136-N140 PolarHBondContact O-N 3.17Å; D136-N140 PolarHBondContact O-ND2 3.45Å; E137-N140 PolarHBondContact O-N 3.41Å; L138-N140 VanDerWaalsContact C-N 3.26Å; L138-N140 PolarHBondContact O-N 3.22Å |
| 141 | S | 73.5 | Confident | 84 | Confident | 25 Ų | 25 | 35 Ų | 35 | 18% | 0.175 | 19% | 0.186 | C | C | . | . | S | Bend | trans | -93.7 | 144.4 | 178 | 78.1 | 0 | 0 | 0 | 0 | 111.7 | E137 L138 E139 N143 | E137-S141 PolarHBondContact O-N 2.89Å; L138-S141 PolarHBondContact O-N 3.41Å; L138-S141 VanDerWaalsContact O-N 3.15Å; L138-S141 PolarHBondContact O-OG 2.86Å; E139-S141 VanDerWaalsContact C-N 3.31Å; S141-N143 WeakPolarHBondContact CB-ND2 3.49Å; S141-N143 PolarHBondContact O-N 2.54Å; S141-N143 VanDerWaalsContact O-N 3.16Å; S141-N143 PolarHBondContact OG-ND2 3.19Å |
| 142 | D | 70 | Confident | 83.8 | Confident | 150 Ų | 150 | 37.6 Ų | 37.6 | 80% | 0.802 | 20% | 0.199 | S | C | * | . | trans | -70.2 | -6.7 | 173.3 | -68.9 | -31.2 | 0 | 0 | 0 | 112.5 | ||||
| 143 | N | 71.5 | Confident | 83.3 | Confident | 62 Ų | 62 | 42.8 Ų | 42.8 | 33% | 0.332 | 22% | 0.218 | S | C | . | . | trans | -65.1 | 136.8 | -173.9 | -60.2 | -47.9 | 0 | 0 | 0 | 112.3 | R42 T97 A100 S141 V145 | R42-N143 VanDerWaalsContact CZ-O 3.31Å; R42-N143 PolarHBondContact NH1-O 2.93Å; R42-N143 PolarHBondContact NH2-O 2.75Å; T97-N143 HydrophobicContact CG2-CB 4.29Å; T97-N143 WeakPolarHBondContact CG2-ND2 3.4Å; A100-N143 HydrophobicContact CB-CB 4.21Å; S141-N143 WeakPolarHBondContact CB-ND2 3.49Å; S141-N143 PolarHBondContact O-N 2.54Å; S141-N143 VanDerWaalsContact O-N 3.16Å; S141-N143 PolarHBondContact OG-ND2 3.19Å; N143-V145 VanDerWaalsContact C-N 3.3Å; N143-V145 HydrophobicContact CB-CG2 4.45Å; N143-V145 PolarHBondContact O-N 3.36Å | ||
| 144 | H | 80.3 | Confident | 83 | Confident | 57 Ų | 57 | 41 Ų | 41 | 26% | 0.264 | 21% | 0.205 | S | C | . | . | trans | -84.3 | 64.5 | -177.9 | -65.2 | -49.3 | 0 | 0 | 0 | 112.4 | M27 P101 C102 | M27-H144 HydrophobicContact CE-CB 4.19Å; M27-H144 VanDerWaalsContact CE-O 3.3Å; M27-H144 WeakPolarHBondContact CE-O 3.32Å; M27-H144 HydrophobicContact SD-CB 3.71Å; P101-H144 CarbonylContact C-O 3.58Å; P101-H144 WeakPolarHBondContact CA-O 2.98Å; P101-H144 HydrophobicContact CB-CB 3.87Å; C102-H144 PolarHBondContact N-O 2.66Å; C102-H144 VanDerWaalsContact N-O 3.13Å | ||
| 145 | V | 86.6 | Confident | 82.3 | Confident | 4 Ų | 4 | 43 Ų | 43 | 2% | 0.024 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 128.3 | 175 | -176.3 | 0 | 0 | 0 | 0 | 110.1 | A96 A100 C102 L104 L138 N143 | A96-V145 HydrophobicContact CB-CG1 4.22Å; A100-V145 HydrophobicContact CB-CG2 4.17Å; C102-V145 WeakPolarHBondContact O-CA 3.47Å; L104-V145 HydrophobicContact CB-CG1 4.3Å; L138-V145 HydrophobicContact CD1-CG1 4.23Å; L138-V145 HydrophobicContact CD2-CB 4.39Å; L138-V145 HydrophobicContact CD2-CG2 4.35Å; N143-V145 VanDerWaalsContact C-N 3.3Å; N143-V145 HydrophobicContact CB-CG2 4.45Å; N143-V145 PolarHBondContact O-N 3.36Å |
| 146 | L | 86.7 | Confident | 81.9 | Confident | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 119.4 | 174 | 180 | 69.7 | 0 | 0 | 0 | 109.7 | M24 F44 C102 I103 L104 I148 | M24-L146 HydrophobicContact CE-CD2 4.32Å; M24-L146 HydrophobicContact CG-CD2 4.12Å; M24-L146 HydrophobicContact SD-CD2 4.4Å; F44-L146 HydrophobicContact CD1-CD1 4.23Å; F44-L146 HydrophobicContact CE1-CD1 4.03Å; F44-L146 HydrophobicContact CE1-CD2 4.06Å; F44-L146 HydrophobicContact CE1-CG 4.3Å; C102-L146 PolarHBondContact O-N 2.89Å; I103-L146 HydrophobicContact CD1-CD2 4.42Å; I103-L146 HydrophobicContact CG1-CB 4.4Å; I103-L146 HydrophobicContact CG1-CD2 4.28Å; L104-L146 PolarHBondContact N-O 3.04Å; L146-I148 HydrophobicContact CD2-CD1 4.14Å; L146-I148 HydrophobicContact CD2-CG1 4.35Å; L146-I148 HydrophobicContact CG-CG1 4.19Å |
| 147 | F | 89.7 | Confident | 81.9 | Confident | 5 Ų | 5 | 41.3 Ų | 41.3 | 2% | 0.022 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 117.6 | -178.5 | -176.6 | -124.9 | 0 | 0 | 0 | 111.9 | R42 G43 F44 F93 L104 I106 I109 I135 F167 | R42-F147 PolarHBondContact O-N 3.46Å; G43-F147 CarbonylContact C-O 3.54Å; G43-F147 WeakPolarHBondContact CA-O 3.46Å; F44-F147 PolarHBondContact N-O 3.27Å; F93-F147 HydrophobicContact CZ-CE2 4.23Å; L104-F147 HydrophobicContact CB-CD2 4.31Å; L104-F147 HydrophobicContact CD2-CD2 3.87Å; L104-F147 HydrophobicContact CD2-CE2 4.12Å; L104-F147 HydrophobicContact CG-CD2 4.01Å; L104-F147 HydrophobicContact CG-CE2 4.32Å; I106-F147 HydrophobicContact CD1-CE2 3.56Å; I106-F147 HydrophobicContact CD1-CZ 3.87Å; I106-F147 HydrophobicContact CG1-CE2 3.84Å; I106-F147 HydrophobicContact CG1-CZ 4.42Å; I109-F147 HydrophobicContact CD1-CZ 4.36Å; I135-F147 HydrophobicContact CD1-CD1 4.17Å; I135-F147 HydrophobicContact CD1-CE1 3.54Å; I135-F147 HydrophobicContact CD1-CZ 4.17Å; I135-F147 HydrophobicContact CG1-CD1 4.21Å; I135-F147 HydrophobicContact CG1-CE1 3.95Å; I135-F147 HydrophobicContact CG1-CZ 4.49Å; F147-F167 HydrophobicContact CD1-CD1 4.26Å; F147-F167 AromaticContact CD1-CE1 3.46Å; F147-F167 HydrophobicContact CD1-CE1 3.46Å; F147-F167 VanDerWaalsContact CD1-CE1 3.46Å; F147-F167 AromaticContact CD1-CZ 3.87Å; F147-F167 HydrophobicContact CD1-CZ 3.87Å; F147-F167 HydrophobicContact CE1-CD1 4.38Å; F147-F167 AromaticContact CE1-CE1 3.35Å; F147-F167 HydrophobicContact CE1-CE1 3.35Å; F147-F167 HydrophobicContact CE1-CE2 4.17Å; F147-F167 AromaticContact CE1-CZ 3.22Å; F147-F167 HydrophobicContact CE1-CZ 3.22Å; F147-F167 HydrophobicContact CG-CE1 4.48Å; F147-F167 HydrophobicContact CZ-CE1 4.29Å; F147-F167 AromaticContact CZ-CZ 3.93Å; F147-F167 HydrophobicContact CZ-CZ 3.93Å |
| 148 | I | 90.4 | Very high | 81.8 | Confident | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 117.4 | -179.5 | -54.1 | 177 | 0 | 0 | 0 | 109.1 | F44 L46 I103 L104 F105 I106 L146 | F44-I148 HydrophobicContact CD1-CG1 4.5Å; F44-I148 HydrophobicContact CD2-CG2 4.16Å; F44-I148 HydrophobicContact CE1-CD1 4.08Å; F44-I148 HydrophobicContact CE1-CG1 3.88Å; F44-I148 HydrophobicContact CE2-CB 4.34Å; F44-I148 HydrophobicContact CE2-CD1 4.03Å; F44-I148 HydrophobicContact CE2-CG1 3.9Å; F44-I148 HydrophobicContact CE2-CG2 3.64Å; F44-I148 HydrophobicContact CZ-CB 4.46Å; F44-I148 HydrophobicContact CZ-CD1 3.45Å; F44-I148 VanDerWaalsContact CZ-CD1 3.45Å; F44-I148 HydrophobicContact CZ-CG1 3.55Å; F44-I148 HydrophobicContact CZ-CG2 4.16Å; L46-I148 HydrophobicContact CD1-CG2 3.92Å; L46-I148 HydrophobicContact CG-CG2 3.98Å; I103-I148 HydrophobicContact CG2-CD1 3.61Å; I103-I148 HydrophobicContact CG2-CG1 4.19Å; L104-I148 PolarHBondContact O-N 3.31Å; F105-I148 WeakPolarHBondContact CA-O 3.4Å; F105-I148 HydrophobicContact CD2-CB 3.82Å; F105-I148 HydrophobicContact CD2-CG2 3.57Å; F105-I148 HydrophobicContact CE2-CG2 3.9Å; I106-I148 PolarHBondContact N-O 2.86Å; L146-I148 HydrophobicContact CD2-CD1 4.14Å; L146-I148 HydrophobicContact CD2-CG1 4.35Å; L146-I148 HydrophobicContact CG-CG1 4.19Å |
| 149 | G | 91.6 | Very high | 82 | Confident | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 144.1 | 170.5 | 0 | 0 | 0 | 0 | 0 | 111 | F44 L45 L46 | F44-G149 PolarHBondContact O-N 2.73Å; F44-G149 VanDerWaalsContact O-N 3.16Å; L45-G149 CarbonylContact C-O 3.59Å; L46-G149 PolarHBondContact N-O 2.95Å |
| 150 | A | 92.1 | Very high | 82.5 | Confident | 1 Ų | 1 | 37 Ų | 37 | 1% | 0.008 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 133.4 | 168.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | L46 K54 F105 I106 E108 I109 | L46-A150 HydrophobicContact CB-CB 4.33Å; L46-A150 CarbonylContact O-C 3.49Å; L46-A150 VanDerWaalsContact O-CA 3.3Å; L46-A150 WeakPolarHBondContact O-CA 3.23Å; K54-A150 HydrophobicContact CB-CB 4.29Å; K54-A150 HydrophobicContact CD-CB 4.45Å; F105-A150 HydrophobicContact CE2-CB 3.82Å; F105-A150 HydrophobicContact CZ-CB 3.67Å; I106-A150 PolarHBondContact O-N 3.34Å; E108-A150 WeakPolarHBondContact CA-O 3.38Å; E108-A150 PolarHBondContact N-O 3.42Å; I109-A150 PolarHBondContact N-O 2.82Å |
| 151 | T | 88.8 | Confident | 83 | Confident | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.9 | 142.5 | 177.4 | -176.7 | 0 | 0 | 0 | 0 | 112.3 | L45 L46 H47 G48 K54 D110 R153 P154 | L45-T151 HydrophobicContact CD1-CG2 3.93Å; L45-T151 HydrophobicContact CD2-CG2 4.09Å; L45-T151 HydrophobicContact CG-CG2 4.14Å; L46-T151 PolarHBondContact O-N 3.32Å; H47-T151 VanDerWaalsContact CA-O 3.29Å; H47-T151 WeakPolarHBondContact CA-O 3.17Å; H47-T151 HydrophobicContact CB-CG2 3.79Å; G48-T151 PolarHBondContact N-O 3.46Å; K54-T151 PolarHBondContact NZ-O 3.34Å; D110-T151 WeakPolarHBondContact CB-OG1 2.94Å; D110-T151 WeakPolarHBondContact OD1-CB 3.35Å; D110-T151 PolarHBondContact OD1-OG1 3.21Å; T151-R153 PolarHBondContact OG1-N 3.41Å; T151-R153 PolarHBondContact OG1-O 2.75Å; T151-P154 HydrophobicContact CG2-CB 4.35Å |
| 152 | N | 84.3 | Confident | 83.4 | Confident | 55 Ų | 55 | 34.2 Ų | 34.2 | 29% | 0.294 | 17% | 0.174 | S | C | . | . | S | Bend | trans | -82.8 | -25.1 | 171.7 | -64.1 | -34.5 | 0 | 0 | 0 | 112.3 | G48 K54 | G48-N152 WeakPolarHBondContact O-CA 3.38Å; K54-N152 PolarHBondContact NZ-OD1 2.91Å |
| 153 | R | 78.7 | Confident | 83.9 | Confident | 117 Ų | 117 | 32.7 Ų | 32.7 | 44% | 0.442 | 16% | 0.163 | S | C | . | . | trans | -130.4 | 86.1 | -172.5 | -69.1 | 178.2 | -175.2 | 170.1 | 1.3 | 108.5 | T151 E155 S156 | T151-R153 PolarHBondContact OG1-N 3.41Å; T151-R153 PolarHBondContact OG1-O 2.75Å; R153-E155 VanDerWaalsContact C-OE2 3.27Å; R153-E155 WeakPolarHBondContact CA-OE2 3.42Å; R153-E155 WeakPolarHBondContact CB-OE1 3.29Å; R153-E155 PolarHBondContact O-N 3.09Å; R153-S156 WeakPolarHBondContact CB-OG 3.17Å; R153-S156 PolarHBondContact O-N 3.5Å; R153-S156 PolarHBondContact O-OG 2.9Å | ||
| 154 | P | 80.7 | Confident | 83.9 | Confident | 12 Ų | 12 | 34.4 Ų | 34.4 | 8% | 0.078 | 19% | 0.186 | C | C | . | . | G | 310 helix | trans | -56.2 | -38.1 | 179.4 | 24 | -32.8 | 0 | 0 | 0 | 110.2 | H47 T151 S156 L157 R162 | H47-P154 HydrophobicContact CB-CB 4.13Å; H47-P154 HydrophobicContact CB-CG 4.25Å; T151-P154 HydrophobicContact CG2-CB 4.35Å; P154-S156 VanDerWaalsContact C-N 3.27Å; P154-S156 PolarHBondContact O-N 3.29Å; P154-L157 WeakPolarHBondContact O-CB 2.9Å; P154-L157 PolarHBondContact O-N 2.82Å; P154-R162 PolarHBondContact O-NH2 3.14Å |
| 155 | E | 75.8 | Confident | 83.4 | Confident | 44 Ų | 44 | 32.2 Ų | 32.2 | 21% | 0.206 | 18% | 0.179 | C | C | . | . | G | 310 helix | trans | -60.5 | -28.2 | -175.8 | 75.8 | -73.9 | -178.4 | 0 | 0 | 115.1 | R115 R153 L157 | R115-E155 PolarHBondContact NE-O 3.38Å; R115-E155 PolarHBondContact NH2-O 3.03Å; R153-E155 VanDerWaalsContact C-OE2 3.27Å; R153-E155 WeakPolarHBondContact CA-OE2 3.42Å; R153-E155 WeakPolarHBondContact CB-OE1 3.29Å; R153-E155 PolarHBondContact O-N 3.09Å; E155-L157 VanDerWaalsContact C-N 3.3Å |
| 156 | S | 79.5 | Confident | 83.2 | Confident | 24 Ų | 24 | 33.9 Ų | 33.9 | 17% | 0.168 | 19% | 0.185 | C | C | . | . | G | 310 helix | trans | -77.5 | -17.8 | 176.6 | 38.9 | 0 | 0 | 0 | 0 | 113.3 | Q114 R115 R153 P154 | Q114-S156 CarbonylContact C-O 3.59Å; Q114-S156 WeakPolarHBondContact CA-O 3.14Å; R115-S156 PolarHBondContact N-O 3.18Å; R115-S156 VanDerWaalsContact N-O 3.12Å; R153-S156 WeakPolarHBondContact CB-OG 3.17Å; R153-S156 PolarHBondContact O-N 3.5Å; R153-S156 PolarHBondContact O-OG 2.9Å; P154-S156 VanDerWaalsContact C-N 3.27Å; P154-S156 PolarHBondContact O-N 3.29Å |
| 157 | L | 84.5 | Confident | 83.1 | Confident | 1 Ų | 1 | 34.1 Ų | 34.1 | 1% | 0.005 | 19% | 0.186 | C | C | . | . | B | Isolated β-bridge | trans | -64.6 | 141.9 | 178.5 | -161.1 | 112.1 | 0 | 0 | 0 | 111.3 | L45 I109 T113 P154 E155 L161 R162 | L45-L157 HydrophobicContact CD1-CD1 4.34Å; L45-L157 HydrophobicContact CD2-CD1 4.45Å; L45-L157 HydrophobicContact CD2-CD2 4.19Å; I109-L157 HydrophobicContact CG2-CD1 3.57Å; T113-L157 CarbonylContact O-C 3.55Å; T113-L157 WeakPolarHBondContact O-CA 3.45Å; P154-L157 WeakPolarHBondContact O-CB 2.9Å; P154-L157 PolarHBondContact O-N 2.82Å; E155-L157 VanDerWaalsContact C-N 3.3Å; L157-L161 HydrophobicContact CD1-CD1 4.12Å; L157-L161 HydrophobicContact CD2-CB 3.54Å; L157-L161 HydrophobicContact CD2-CD1 3.99Å; L157-L161 HydrophobicContact CD2-CG 4.44Å; L157-L161 HydrophobicContact CG-CB 4.34Å; L157-L161 HydrophobicContact CG-CD1 3.89Å; L157-R162 HydrophobicContact CD2-CG 3.66Å |
| 158 | D | 84.7 | Confident | 82.6 | Confident | 10 Ų | 10 | 36.5 Ų | 36.5 | 5% | 0.053 | 20% | 0.199 | C | C | . | . | trans | -56.7 | 124.7 | 172.1 | -170.2 | -28 | 0 | 0 | 0 | 110.5 | T113 R116 V128 A160 L161 | T113-D158 PolarHBondContact O-N 3.37Å; R116-D158 WeakPolarHBondContact CG-OD2 3.29Å; R116-D158 IonicContact CZ-OD2 3.45Å; R116-D158 IonicContact NE-OD2 2.7Å; R116-D158 PolarHBondContact NE-OD2 3.07Å; R116-D158 IonicContact NH2-OD2 2.82Å; V128-D158 HydrophobicContact CG1-CB 4.4Å; V128-D158 WeakPolarHBondContact CG1-OD2 3.18Å; D158-A160 PolarHBondContact O-N 3.38Å; D158-A160 VanDerWaalsContact O-N 3.08Å; D158-A160 VanDerWaalsContact OD1-CB 3.24Å; D158-A160 WeakPolarHBondContact OD1-CB 3.49Å; D158-A160 PolarHBondContact OD1-N 3.21Å; D158-L161 WeakPolarHBondContact O-CB 3.21Å; D158-L161 PolarHBondContact O-N 3.16Å | ||
| 159 | P | 83.5 | Confident | 82.1 | Confident | 76 Ų | 76 | 42.9 Ų | 42.9 | 49% | 0.494 | 22% | 0.223 | S | C | . | . | G | 310 helix | trans | -51.7 | -29.7 | 174.8 | -26.6 | 34.3 | 0 | 0 | 0 | 113.9 | L161 R162 | P159-L161 PolarHBondContact O-N 3.07Å; P159-R162 PolarHBondContact O-N 3.26Å |
| 160 | A | 84.8 | Confident | 81.6 | Confident | 17 Ų | 17 | 46.7 Ų | 46.7 | 14% | 0.14 | 24% | 0.241 | C | C | . | . | G | 310 helix | trans | -61.3 | -28.8 | 179 | 0 | 0 | 0 | 0 | 0 | 113.1 | L132 D158 R162 R166 | L132-A160 HydrophobicContact CD1-CB 3.94Å; D158-A160 PolarHBondContact O-N 3.38Å; D158-A160 VanDerWaalsContact O-N 3.08Å; D158-A160 VanDerWaalsContact OD1-CB 3.24Å; D158-A160 WeakPolarHBondContact OD1-CB 3.49Å; D158-A160 PolarHBondContact OD1-N 3.21Å; A160-R162 VanDerWaalsContact C-N 3.31Å; A160-R166 WeakPolarHBondContact O-CD 3.24Å; A160-R166 PolarHBondContact O-NH1 2.99Å |
| 161 | L | 85 | Confident | 81.1 | Confident | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 24% | 0.243 | C | C | . | . | G | 310 helix | trans | -74 | -22.8 | 176.3 | -82 | 169.7 | 0 | 0 | 0 | 113 | I109 T113 L132 I135 L157 D158 P159 M163 R166 F167 | I109-L161 HydrophobicContact CD1-CD1 4.42Å; T113-L161 VanDerWaalsContact CB-CD1 3.49Å; T113-L161 HydrophobicContact CG2-CD1 3.52Å; L132-L161 HydrophobicContact CD2-CD2 3.35Å; L132-L161 HydrophobicContact CD2-CG 3.72Å; I135-L161 HydrophobicContact CD1-CD2 3.78Å; L157-L161 HydrophobicContact CD1-CD1 4.12Å; L157-L161 HydrophobicContact CD2-CB 3.54Å; L157-L161 HydrophobicContact CD2-CD1 3.99Å; L157-L161 HydrophobicContact CD2-CG 4.44Å; L157-L161 HydrophobicContact CG-CB 4.34Å; L157-L161 HydrophobicContact CG-CD1 3.89Å; D158-L161 WeakPolarHBondContact O-CB 3.21Å; D158-L161 PolarHBondContact O-N 3.16Å; P159-L161 PolarHBondContact O-N 3.07Å; L161-M163 VanDerWaalsContact C-N 3.35Å; L161-R166 WeakPolarHBondContact O-CB 3.03Å; L161-F167 HydrophobicContact CB-CD2 3.98Å; L161-F167 HydrophobicContact CB-CE2 4.18Å; L161-F167 HydrophobicContact CD1-CE2 4.4Å; L161-F167 HydrophobicContact CD2-CD2 4.35Å; L161-F167 HydrophobicContact CD2-CE2 3.96Å; L161-F167 HydrophobicContact CG-CE2 4.44Å; L161-F167 WeakPolarHBondContact O-CB 3.01Å; L161-F167 WeakPolarHBondContact O-CD2 3.46Å; L161-F167 PolarHBondContact O-N 3.1Å |
| 162 | R | 82.1 | Confident | 80.4 | Confident | 84 Ų | 84 | 48.8 Ų | 48.8 | 32% | 0.317 | 26% | 0.257 | S | S | . | . | G | 310 helix | trans | -91.8 | 0.6 | -178.7 | -55 | 178.2 | -179.7 | -143.5 | 28.2 | 113.4 | P154 L157 P159 A160 E170 | P154-R162 PolarHBondContact O-NH2 3.14Å; L157-R162 HydrophobicContact CD2-CG 3.66Å; P159-R162 PolarHBondContact O-N 3.26Å; A160-R162 VanDerWaalsContact C-N 3.31Å; R162-E170 WeakPolarHBondContact CD-OE1 3.26Å; R162-E170 WeakPolarHBondContact CG-OE1 3.09Å; R162-E170 IonicContact CZ-OE1 3.63Å; R162-E170 IonicContact NE-OE1 3.41Å; R162-E170 IonicContact NH1-OE1 2.91Å; R162-E170 PolarHBondContact NH1-OE1 3.11Å; R162-E170 IonicContact NH1-OE2 2.73Å; R162-E170 PolarHBondContact NH1-OE2 2.87Å |
| 163 | M | 81 | Confident | 79.9 | Confident | 117 Ų | 117 | 46.4 Ų | 46.4 | 58% | 0.576 | 24% | 0.244 | S | C | * | . | S | Bend | trans | -71.7 | 152.5 | 174.5 | -64.3 | 178.5 | 65.5 | 0 | 0 | 110 | L161 R166 | L161-M163 VanDerWaalsContact C-N 3.35Å; M163-R166 PolarHBondContact O-N 2.65Å |
| 164 | A | 71.2 | Confident | 79.2 | Confident | 98 Ų | 98 | 41.6 Ų | 41.6 | 81% | 0.81 | 23% | 0.231 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57.5 | 140.9 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||
| 165 | G | 70.4 | Confident | 78.5 | Confident | 12 Ų | 12 | 41.2 Ų | 41.2 | 12% | 0.124 | 23% | 0.228 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 101.5 | -18.9 | -173.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | D168 | G165-D168 PolarHBondContact N-OD1 3.26Š|
| 166 | R | 82.6 | Confident | 77.6 | Confident | 39 Ų | 39 | 40.1 Ų | 40.1 | 15% | 0.147 | 23% | 0.225 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -112.5 | -92.2 | -175.3 | -63.8 | 169.9 | 174.9 | 171.6 | 0.2 | 111.5 | L132 I135 D136 A160 L161 M163 D168 | L132-R166 VanDerWaalsContact CD2-NH1 3.3Å; I135-R166 HydrophobicContact CG2-CB 4.08Å; I135-R166 HydrophobicContact CG2-CG 3.83Å; D136-R166 IonicContact OD1-CZ 2.7Å; D136-R166 IonicContact OD1-NE 3.76Å; D136-R166 PolarHBondContact OD1-NE 2.95Å; D136-R166 IonicContact OD1-NH2 2.75Å; D136-R166 PolarHBondContact OD1-NH2 2.99Å; D136-R166 IonicContact OD2-CZ 3.88Å; D136-R166 IonicContact OD2-NE 3.34Å; D136-R166 IonicContact OD2-NH2 3.57Å; D136-R166 PolarHBondContact OD2-NH2 3.46Å; A160-R166 WeakPolarHBondContact O-CD 3.24Å; A160-R166 PolarHBondContact O-NH1 2.99Å; L161-R166 WeakPolarHBondContact O-CB 3.03Å; M163-R166 PolarHBondContact O-N 2.65Å; R166-D168 PolarHBondContact O-N 3.03Å |
| 167 | F | 83.7 | Confident | 76.3 | Confident | 4 Ų | 4 | 39.9 Ų | 39.9 | 2% | 0.018 | 22% | 0.222 | C | C | . | . | S | Bend | trans | -94.2 | 81.6 | 167.4 | -67.1 | -55.3 | 0 | 0 | 0 | 109.8 | L45 I109 F147 L161 R169 | L45-F167 HydrophobicContact CB-CB 4.1Å; L45-F167 HydrophobicContact CB-CD1 4.07Å; L45-F167 HydrophobicContact CB-CD2 4.24Å; L45-F167 HydrophobicContact CB-CG 3.9Å; L45-F167 HydrophobicContact CD1-CD2 4.38Å; L45-F167 HydrophobicContact CD1-CE2 4.14Å; L45-F167 HydrophobicContact CD1-CZ 4.26Å; I109-F167 HydrophobicContact CD1-CE2 3.88Å; I109-F167 HydrophobicContact CD1-CZ 3.72Å; F147-F167 HydrophobicContact CD1-CD1 4.26Å; F147-F167 AromaticContact CD1-CE1 3.46Å; F147-F167 HydrophobicContact CD1-CE1 3.46Å; F147-F167 VanDerWaalsContact CD1-CE1 3.46Å; F147-F167 AromaticContact CD1-CZ 3.87Å; F147-F167 HydrophobicContact CD1-CZ 3.87Å; F147-F167 HydrophobicContact CE1-CD1 4.38Å; F147-F167 AromaticContact CE1-CE1 3.35Å; F147-F167 HydrophobicContact CE1-CE1 3.35Å; F147-F167 HydrophobicContact CE1-CE2 4.17Å; F147-F167 AromaticContact CE1-CZ 3.22Å; F147-F167 HydrophobicContact CE1-CZ 3.22Å; F147-F167 HydrophobicContact CG-CE1 4.48Å; F147-F167 HydrophobicContact CZ-CE1 4.29Å; F147-F167 AromaticContact CZ-CZ 3.93Å; F147-F167 HydrophobicContact CZ-CZ 3.93Å; L161-F167 HydrophobicContact CB-CD2 3.98Å; L161-F167 HydrophobicContact CB-CE2 4.18Å; L161-F167 HydrophobicContact CD1-CE2 4.4Å; L161-F167 HydrophobicContact CD2-CD2 4.35Å; L161-F167 HydrophobicContact CD2-CE2 3.96Å; L161-F167 HydrophobicContact CG-CE2 4.44Å; L161-F167 WeakPolarHBondContact O-CB 3.01Å; L161-F167 WeakPolarHBondContact O-CD2 3.46Å; L161-F167 PolarHBondContact O-N 3.1Å; F167-R169 PolarHBondContact O-N 3.04Å |
| 168 | D | 79.2 | Confident | 74.5 | Confident | 56 Ų | 56 | 42.4 Ų | 42.4 | 30% | 0.299 | 23% | 0.234 | S | C | . | . | trans | -62.7 | -26.8 | -178.3 | -64.3 | -40.8 | 0 | 0 | 0 | 113 | P41 G43 G165 R166 | P41-D168 VanDerWaalsContact CA-OD2 3.29Å; P41-D168 WeakPolarHBondContact CA-OD2 3.42Å; P41-D168 HydrophobicContact CB-CB 4.11Å; P41-D168 VanDerWaalsContact CB-OD2 3.27Å; P41-D168 WeakPolarHBondContact CB-OD2 3.24Å; G43-D168 PolarHBondContact O-N 2.85Å; G165-D168 PolarHBondContact N-OD1 3.26Å; R166-D168 PolarHBondContact O-N 3.03Å | ||
| 169 | R | 80.3 | Confident | 72.6 | Confident | 133 Ų | 133 | 44.2 Ų | 44.2 | 50% | 0.502 | 24% | 0.241 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 131.7 | -180 | -62.9 | -62.6 | -175.7 | 177.3 | -1.2 | 111.2 | L23 F44 L45 F167 | L23-R169 HydrophobicContact CD1-CB 4.02Å; L23-R169 HydrophobicContact CD1-CG 3.9Å; L23-R169 HydrophobicContact CD2-CG 3.87Å; L23-R169 HydrophobicContact CG-CG 4.4Å; F44-R169 CarbonylContact C-O 3.56Å; F44-R169 WeakPolarHBondContact CA-O 2.86Å; F44-R169 HydrophobicContact CB-CB 4.01Å; F44-R169 VanDerWaalsContact CB-O 3.27Å; F44-R169 WeakPolarHBondContact CB-O 3.36Å; L45-R169 PolarHBondContact N-O 3.08Å; F167-R169 PolarHBondContact O-N 3.04Å |
| 170 | E | 81.1 | Confident | 70.5 | Confident | 80 Ų | 80 | 41.4 Ų | 41.4 | 37% | 0.374 | 22% | 0.223 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 131 | 167.5 | -62 | -172 | 175.9 | 0 | 0 | 109.3 | L45 R162 | L45-E170 HydrophobicContact CB-CG 4.35Å; L45-E170 HydrophobicContact CD2-CG 4.34Å; L45-E170 CarbonylContact O-C 3.49Å; L45-E170 WeakPolarHBondContact O-CA 3.48Å; R162-E170 WeakPolarHBondContact CD-OE1 3.26Å; R162-E170 WeakPolarHBondContact CG-OE1 3.09Å; R162-E170 IonicContact CZ-OE1 3.63Å; R162-E170 IonicContact NE-OE1 3.41Å; R162-E170 IonicContact NH1-OE1 2.91Å; R162-E170 PolarHBondContact NH1-OE1 3.11Å; R162-E170 IonicContact NH1-OE2 2.73Å; R162-E170 PolarHBondContact NH1-OE2 2.87Å |
| 171 | I | 80.9 | Confident | 68.3 | Low | 9 Ų | 9 | 42.2 Ų | 42.2 | 5% | 0.046 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 110.5 | -179.8 | -60.7 | 178 | 0 | 0 | 0 | 108.7 | I20 F44 L45 L46 H47 | I20-I171 HydrophobicContact CD1-CD1 3.53Å; I20-I171 HydrophobicContact CG1-CD1 3.22Å; F44-I171 HydrophobicContact CD2-CD1 3.8Å; F44-I171 HydrophobicContact CE2-CD1 4.21Å; F44-I171 HydrophobicContact CG-CD1 4.26Å; L45-I171 PolarHBondContact O-N 2.79Å; L46-I171 HydrophobicContact CD2-CB 3.76Å; L46-I171 HydrophobicContact CD2-CD1 4.01Å; L46-I171 HydrophobicContact CD2-CG1 4.38Å; L46-I171 HydrophobicContact CD2-CG2 4.06Å; H47-I171 PolarHBondContact CD2-O 3.4Å; H47-I171 PolarHBondContact N-O 3.49Å |
| 172 | A | 75.1 | Confident | 66 | Low | 37 Ų | 37 | 44.1 Ų | 44.1 | 31% | 0.306 | 24% | 0.236 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.1 | 123.2 | 177 | 0 | 0 | 0 | 0 | 0 | 111.4 | H47 | H47-A172 VanDerWaalsContact CE1-CA 3.46Å; H47-A172 WeakPolarHBondContact CE1-CA 3.02Å; H47-A172 WeakPolarHBondContact CE1-CB 3.3Å; H47-A172 WeakPolarHBondContact NE2-CA 3.45Å; H47-A172 WeakPolarHBondContact NE2-CB 3.23Å; H47-A172 PolarHBondContact NE2-N 2.8Å; H47-A172 CarbonylContact O-C 3.58Å |
| 173 | F | 73.7 | Confident | 63.8 | Low | 4 Ų | 4 | 46.1 Ų | 46.1 | 2% | 0.018 | 25% | 0.247 | C | C | . | . | trans | -88.7 | 115.1 | 161.6 | -72.8 | -102.3 | 0 | 0 | 0 | 108.7 | W9 I13 L46 H47 G48 P49 C52 K54 L57 | W9-F173 HydrophobicContact CH2-CD1 4.48Å; W9-F173 HydrophobicContact CZ3-CD1 4.41Å; I13-F173 HydrophobicContact CD1-CD1 4.11Å; L46-F173 HydrophobicContact CB-CE2 3.9Å; L46-F173 HydrophobicContact CD1-CE2 4.1Å; L46-F173 HydrophobicContact CD1-CZ 4.37Å; L46-F173 HydrophobicContact CD2-CE2 3.84Å; L46-F173 HydrophobicContact CG-CE2 4.14Å; H47-F173 PolarHBondContact O-N 3.46Å; G48-F173 WeakPolarHBondContact CA-O 3.22Å; P49-F173 WeakPolarHBondContact CD-O 3.48Å; C52-F173 HydrophobicContact CB-CB 4.23Å; C52-F173 HydrophobicContact CB-CD1 4.38Å; K54-F173 HydrophobicContact CB-CE2 4.34Å; K54-F173 HydrophobicContact CB-CZ 4.48Å; K54-F173 HydrophobicContact CG-CD2 3.89Å; K54-F173 HydrophobicContact CG-CE2 3.88Å; K54-F173 HydrophobicContact CG-CG 4.26Å; K54-F173 HydrophobicContact CG-CZ 4.26Å; L57-F173 HydrophobicContact CB-CZ 4.05Å; L57-F173 HydrophobicContact CD2-CE1 4.17Å; L57-F173 HydrophobicContact CD2-CE2 4.25Å; L57-F173 HydrophobicContact CD2-CZ 3.4Å; L57-F173 VanDerWaalsContact CD2-CZ 3.4Å; L57-F173 HydrophobicContact CG-CZ 4.33Å | ||
| 174 | G | 64.6 | Low | 61.6 | Low | 16 Ų | 16 | 46.5 Ų | 46.5 | 17% | 0.165 | 25% | 0.251 | C | S | . | . | trans | -84 | 174.4 | 165.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | W9 N449 | W9-G174 VanDerWaalsContact CZ3-O 3.26Å; W9-G174 WeakPolarHBondContact CZ3-O 3.49Å; G174-N449 VanDerWaalsContact CA-O 3.3Å; G174-N449 WeakPolarHBondContact CA-O 3.38Å | ||
| 175 | M | 64.2 | Low | 59.9 | Low | 4 Ų | 4 | 44.7 Ų | 44.7 | 2% | 0.02 | 24% | 0.236 | C | C | . | . | trans | -69.9 | 153.1 | 167.9 | -69.8 | -168.2 | -69.8 | 0 | 0 | 110.7 | P49 D177 A333 F338 A339 S450 | P49-M175 HydrophobicContact CG-CG 4.05Å; M175-D177 PolarHBondContact O-N 3.5Å; M175-A333 HydrophobicContact SD-CB 3.71Å; M175-F338 HydrophobicContact CE-CB 3.7Å; M175-F338 HydrophobicContact CE-CG 4.37Å; M175-F338 HydrophobicContact SD-CB 4.01Å; M175-F338 HydrophobicContact SD-CG 4.41Å; M175-A339 HydrophobicContact CE-CB 4.45Å; M175-A339 WeakPolarHBondContact CE-O 3.3Å; M175-S450 WeakPolarHBondContact CE-OG 3.49Å | ||
| 176 | P | 57.5 | Low | 58.2 | Low | 22 Ų | 22 | 49.8 Ų | 49.8 | 14% | 0.143 | 26% | 0.264 | C | S | . | . | trans | -68.8 | 93.6 | 177.7 | 27.6 | -33.6 | 0 | 0 | 0 | 111 | I205 | P176-I205 HydrophobicContact CB-CD1 4.36Š| ||
| 177 | D | 52.6 | Low | 55.9 | Low | 19 Ų | 19 | 56.5 Ų | 56.5 | 10% | 0.102 | 30% | 0.297 | C | S | . | . | trans | -90.3 | 162.6 | -175.7 | -77.8 | -14.6 | 0 | 0 | 0 | 114.9 | M175 K179 S180 N419 | M175-D177 PolarHBondContact O-N 3.5Å; D177-K179 PolarHBondContact O-N 3.06Å; D177-K179 VanDerWaalsContact O-N 3.17Å; D177-S180 WeakPolarHBondContact O-CB 3.33Å; D177-S180 PolarHBondContact O-N 3.35Å; D177-S180 PolarHBondContact O-OG 2.93Å; D177-N419 VanDerWaalsContact CG-ND2 3.34Å; D177-N419 PolarHBondContact OD1-ND2 2.74Å; D177-N419 VanDerWaalsContact OD1-ND2 3.13Å; D177-N419 PolarHBondContact OD2-ND2 2.73Å | ||
| 178 | E | 46 | Very low | 53.3 | Low | 54 Ų | 54 | 63.2 Ų | 63.2 | 25% | 0.252 | 33% | 0.332 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -43.7 | -44.4 | 172.7 | -173.7 | 146.1 | -149.3 | 0 | 0 | 113.7 | S180 G197 L198 | E178-S180 PolarHBondContact O-N 3.3Å; E178-G197 WeakPolarHBondContact OE1-CA 3.35Å; E178-L198 HydrophobicContact CB-CB 4.06Å; E178-L198 HydrophobicContact CB-CD1 3.71Å; E178-L198 HydrophobicContact CB-CG 3.47Å; E178-L198 VanDerWaalsContact CB-CG 3.47Å; E178-L198 VanDerWaalsContact CD-CD1 3.49Å; E178-L198 HydrophobicContact CG-CB 3.68Å; E178-L198 HydrophobicContact CG-CD1 3.99Å; E178-L198 HydrophobicContact CG-CG 3.69Å; E178-L198 WeakPolarHBondContact OE1-CA 3.39Å; E178-L198 VanDerWaalsContact OE1-CB 3.23Å; E178-L198 WeakPolarHBondContact OE1-CB 3.47Å; E178-L198 PolarHBondContact OE1-N 3.04Å; E178-L198 VanDerWaalsContact OE2-CD1 3.23Å; E178-L198 WeakPolarHBondContact OE2-CD1 3.19Å |
| 179 | K | 44.3 | Very low | 50.9 | Low | 48 Ų | 48 | 66.2 Ų | 66.2 | 21% | 0.209 | 36% | 0.355 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72.9 | -6.3 | -163.9 | -60.3 | -172.9 | -177.3 | -168.9 | 0 | 114.7 | D177 R181 V372 P452 | D177-K179 PolarHBondContact O-N 3.06Å; D177-K179 VanDerWaalsContact O-N 3.17Å; K179-R181 PolarHBondContact O-N 3.41Å; K179-V372 HydrophobicContact CD-CG2 4.39Å; K179-P452 HydrophobicContact CD-CG 3.56Å; K179-P452 VanDerWaalsContact CE-CG 3.48Å |
| 180 | S | 41.4 | Very low | 48.5 | Very low | 17 Ų | 17 | 70.4 Ų | 70.4 | 12% | 0.119 | 37% | 0.372 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.5 | 17 | -174.9 | -49.8 | 0 | 0 | 0 | 0 | 115.3 | N10 D177 E178 C201 | N10-S180 WeakPolarHBondContact CA-OG 3.44Å; D177-S180 WeakPolarHBondContact O-CB 3.33Å; D177-S180 PolarHBondContact O-N 3.35Å; D177-S180 PolarHBondContact O-OG 2.93Å; E178-S180 PolarHBondContact O-N 3.3Å; S180-C201 WeakPolarHBondContact CB-SG 3.32Å |
| 181 | R | 38.2 | Very low | 46.2 | Very low | 33 Ų | 33 | 75.4 Ų | 75.4 | 13% | 0.125 | 40% | 0.395 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -141 | -10.4 | -160.7 | -71.2 | -175.7 | -150.4 | 142.3 | 21.5 | 119.3 | K179 K183 G197 L198 K199 C201 | K179-R181 PolarHBondContact O-N 3.41Å; R181-K183 PolarHBondContact O-N 2.95Å; R181-K183 VanDerWaalsContact O-N 3.16Å; R181-G197 WeakPolarHBondContact CD-O 3.45Å; R181-G197 PolarHBondContact NH1-O 2.88Å; R181-L198 VanDerWaalsContact NH1-CA 3.31Å; R181-L198 PolarHBondContact NH1-O 2.61Å; R181-L198 PolarHBondContact NH2-O 3.47Å; R181-K199 VanDerWaalsContact NH1-CA 3.28Å; R181-C201 VanDerWaalsContact CG-SG 3.53Å; R181-C201 PolarHBondContact NE-SG 3.4Å |
| 182 | S | 35.8 | Very low | 43.9 | Very low | 41 Ų | 41 | 86.1 Ų | 86.1 | 29% | 0.287 | 44% | 0.435 | S | S | . | . | G | 310 helix | trans | -59.8 | -29 | -178.1 | 56.5 | 0 | 0 | 0 | 0 | 112.5 | E373 | S182-E373 PolarHBondContact OG-OE2 3.18Š|
| 183 | K | 35.8 | Very low | 42 | Very low | 125 Ų | 125 | 90.2 Ų | 90.2 | 54% | 0.543 | 45% | 0.452 | S | S | . | . | G | 310 helix | trans | -87.1 | -11 | -172 | -93.6 | 173.7 | 177 | 148.1 | 0 | 118 | R181 E373 | R181-K183 PolarHBondContact O-N 2.95Å; R181-K183 VanDerWaalsContact O-N 3.16Å; K183-E373 WeakPolarHBondContact CE-OE1 3.23Å; K183-E373 IonicContact NZ-OE1 3.51Å; K183-E373 PolarHBondContact NZ-OE1 3.38Å; K183-E373 IonicContact NZ-OE2 3.11Å |
| 184 | L | 35.5 | Very low | 40.1 | Very low | 125 Ų | 125 | 96 Ų | 96 | 65% | 0.654 | 49% | 0.492 | S | S | * | . | G | 310 helix | trans | -91 | -4.4 | 175.8 | -116.7 | 142.3 | 0 | 0 | 0 | 113.2 | L7 | L7-L184 HydrophobicContact CD2-CD1 3.84Š|
| 185 | A | 35.2 | Very low | 39 | Very low | 61 Ų | 61 | 102.3 Ų | 102.3 | 50% | 0.504 | 52% | 0.52 | S | S | . | . | S | Bend | trans | -88.2 | -5.7 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | H187 | A185-H187 VanDerWaalsContact C-N 3.27Å; A185-H187 PolarHBondContact O-N 3.24Å |
| 186 | V | 35.6 | Very low | 37.8 | Very low | 118 Ų | 118 | 106.1 Ų | 106.1 | 72% | 0.715 | 54% | 0.54 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.6 | -11.2 | -177.2 | -176.3 | 0 | 0 | 0 | 0 | 112.9 | ||
| 187 | H | 33.2 | Very low | 36.9 | Very low | 181 Ų | 181 | 106.4 Ų | 106.4 | 84% | 0.838 | 55% | 0.547 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.3 | 7.3 | 178.3 | -90.4 | -73 | 0 | 0 | 0 | 115.6 | A185 | A185-H187 VanDerWaalsContact C-N 3.27Å; A185-H187 PolarHBondContact O-N 3.24Å |
| 188 | L | 28.7 | Very low | 36 | Very low | 145 Ų | 145 | 108.2 Ų | 108.2 | 76% | 0.759 | 56% | 0.556 | S | S | * | * | S | Bend | trans | -131.5 | 114.5 | 174.1 | -79.5 | 162.1 | 0 | 0 | 0 | 110 | ||
| 189 | P | 29 | Very low | 35.8 | Very low | 118 Ų | 118 | 107.1 Ų | 107.1 | 77% | 0.766 | 55% | 0.551 | S | S | * | * | trans | -70.9 | 143.5 | 171.6 | 31.7 | -29.7 | 0 | 0 | 0 | 108.2 | ||||
| 190 | Y | 30.7 | Very low | 35.8 | Very low | 221 Ų | 221 | 111.3 Ų | 111.3 | 87% | 0.867 | 57% | 0.569 | S | S | * | * | trans | 85.8 | 81.8 | 165.2 | -137.4 | -96.3 | 0 | 0 | 0 | 117.9 | ||||
| 191 | Q | 32 | Very low | 36 | Very low | 185 Ų | 185 | 111.2 Ų | 111.2 | 86% | 0.864 | 57% | 0.568 | S | S | * | * | trans | -172.8 | 122.6 | 132.9 | -108.8 | 163.6 | -8.2 | 0 | 0 | 111.7 | D193 | Q191-D193 PolarHBondContact O-N 2.91Š| ||
| 192 | R | 32.3 | Very low | 36.7 | Very low | 234 Ų | 234 | 110.1 Ų | 110.1 | 88% | 0.883 | 57% | 0.565 | S | S | * | * | trans | -81.8 | 104.2 | 175 | -68.8 | 172.4 | 173.3 | 143.5 | -2.6 | 108.1 | ||||
| 193 | D | 36.3 | Very low | 37.8 | Very low | 124 Ų | 124 | 109 Ų | 109 | 66% | 0.663 | 56% | 0.557 | S | S | * | * | trans | -162.4 | 88.7 | 163.1 | -86.9 | -33.9 | 0 | 0 | 0 | 109.9 | Q191 I195 L196 | Q191-D193 PolarHBondContact O-N 2.91Å; D193-I195 VanDerWaalsContact C-N 3.27Å; D193-I195 PolarHBondContact O-N 3.4Å; D193-L196 HydrophobicContact CB-CD1 4.31Å | ||
| 194 | C | 34.2 | Very low | 38.9 | Very low | 126 Ų | 126 | 107 Ų | 107 | 85% | 0.851 | 55% | 0.546 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.4 | 13.6 | -171.7 | -69.2 | 0 | 0 | 0 | 0 | 115.3 | ||
| 195 | I | 40.8 | Very low | 40.2 | Very low | 148 Ų | 148 | 102 Ų | 102 | 76% | 0.759 | 52% | 0.519 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -110.8 | 17 | -177.7 | -57.4 | 165 | 0 | 0 | 0 | 111.7 | D193 K199 | D193-I195 VanDerWaalsContact C-N 3.27Å; D193-I195 PolarHBondContact O-N 3.4Å; I195-K199 WeakPolarHBondContact O-CE 3.15Å; I195-K199 PolarHBondContact O-NZ 3.39Å |
| 196 | L | 39.4 | Very low | 41.8 | Very low | 84 Ų | 84 | 99 Ų | 99 | 44% | 0.44 | 50% | 0.495 | S | S | . | . | trans | -106.2 | 17.5 | -179.6 | -94.2 | 113.7 | 0 | 0 | 0 | 115 | D193 L198 K199 | D193-L196 HydrophobicContact CB-CD1 4.31Å; L196-L198 PolarHBondContact O-N 3.49Å; L196-K199 HydrophobicContact CB-CD 4.05Å; L196-K199 HydrophobicContact CD2-CD 3.59Å; L196-K199 HydrophobicContact CG-CD 3.59Å | ||
| 197 | G | 38.5 | Very low | 43.5 | Very low | 28 Ų | 28 | 97.7 Ų | 97.7 | 29% | 0.289 | 48% | 0.481 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.3 | -32.9 | -170.9 | 0 | 0 | 0 | 0 | 0 | 116.6 | E178 R181 | E178-G197 WeakPolarHBondContact OE1-CA 3.35Å; R181-G197 WeakPolarHBondContact CD-O 3.45Å; R181-G197 PolarHBondContact NH1-O 2.88Å |
| 198 | L | 33.9 | Very low | 45.2 | Very low | 57 Ų | 57 | 90.8 Ų | 90.8 | 30% | 0.298 | 45% | 0.452 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.1 | -9.9 | -173.7 | -134.7 | 149.5 | 0 | 0 | 0 | 116 | E178 R181 L196 | E178-L198 HydrophobicContact CB-CB 4.06Å; E178-L198 HydrophobicContact CB-CD1 3.71Å; E178-L198 HydrophobicContact CB-CG 3.47Å; E178-L198 VanDerWaalsContact CB-CG 3.47Å; E178-L198 VanDerWaalsContact CD-CD1 3.49Å; E178-L198 HydrophobicContact CG-CB 3.68Å; E178-L198 HydrophobicContact CG-CD1 3.99Å; E178-L198 HydrophobicContact CG-CG 3.69Å; E178-L198 WeakPolarHBondContact OE1-CA 3.39Å; E178-L198 VanDerWaalsContact OE1-CB 3.23Å; E178-L198 WeakPolarHBondContact OE1-CB 3.47Å; E178-L198 PolarHBondContact OE1-N 3.04Å; E178-L198 VanDerWaalsContact OE2-CD1 3.23Å; E178-L198 WeakPolarHBondContact OE2-CD1 3.19Å; R181-L198 VanDerWaalsContact NH1-CA 3.31Å; R181-L198 PolarHBondContact NH1-O 2.61Å; R181-L198 PolarHBondContact NH2-O 3.47Å; L196-L198 PolarHBondContact O-N 3.49Å |
| 199 | K | 42.2 | Very low | 47.4 | Very low | 30 Ų | 30 | 86.6 Ų | 86.6 | 13% | 0.13 | 43% | 0.43 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -74.5 | -51.5 | -176.1 | -56.3 | 164.5 | -164.8 | 176.7 | 0 | 120.3 | R181 I195 L196 C203 S225 R226 | R181-K199 VanDerWaalsContact NH1-CA 3.28Å; I195-K199 WeakPolarHBondContact O-CE 3.15Å; I195-K199 PolarHBondContact O-NZ 3.39Å; L196-K199 HydrophobicContact CB-CD 4.05Å; L196-K199 HydrophobicContact CD2-CD 3.59Å; L196-K199 HydrophobicContact CG-CD 3.59Å; K199-C203 WeakPolarHBondContact O-CB 3.3Å; K199-C203 PolarHBondContact O-N 3.05Å; K199-S225 PolarHBondContact O-OG 3.19Å; K199-R226 HydrophobicContact CG-CG 4.41Å |
| 200 | K | 43.5 | Very low | 49.5 | Very low | 137 Ų | 137 | 81.3 Ų | 81.3 | 60% | 0.596 | 40% | 0.395 | S | S | * | . | H | α-helix | trans | -67.8 | -27.8 | -174.7 | -36.6 | -176.4 | 169.7 | 178.4 | 0 | 121 | R204 | K200-R204 VanDerWaalsContact O-CB 3.23Å; K200-R204 WeakPolarHBondContact O-CB 3.44Å; K200-R204 PolarHBondContact O-N 3.29Å |
| 201 | C | 45.8 | Very low | 51.6 | Low | 14 Ų | 14 | 78.7 Ų | 78.7 | 10% | 0.095 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -82.9 | -50.7 | -173.1 | -74.2 | 0 | 0 | 0 | 0 | 110.7 | S180 R181 C203 R204 I205 | S180-C201 WeakPolarHBondContact CB-SG 3.32Å; R181-C201 VanDerWaalsContact CG-SG 3.53Å; R181-C201 PolarHBondContact NE-SG 3.4Å; C201-C203 VanDerWaalsContact C-N 3.26Å; C201-C203 PolarHBondContact O-N 3.35Å; C201-R204 PolarHBondContact O-N 3.47Å; C201-I205 WeakPolarHBondContact O-CG1 3.03Å; C201-I205 PolarHBondContact O-N 2.83Å |
| 202 | L | 53.5 | Low | 53.5 | Low | 11 Ų | 11 | 75 Ų | 75 | 6% | 0.058 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -64.1 | -37.1 | 171.6 | -157.9 | 125.5 | 0 | 0 | 0 | 110.2 | R204 I205 L206 S225 C228 L236 | L202-R204 VanDerWaalsContact C-N 3.34Å; L202-R204 PolarHBondContact O-N 2.96Å; L202-I205 PolarHBondContact O-N 3.03Å; L202-L206 HydrophobicContact CD2-CD1 3.66Å; L202-L206 HydrophobicContact CD2-CG 4.24Å; L202-L206 VanDerWaalsContact O-CB 3.28Å; L202-L206 WeakPolarHBondContact O-CB 3.45Å; L202-L206 VanDerWaalsContact O-CG 3.24Å; L202-L206 WeakPolarHBondContact O-CG 3.4Å; L202-L206 PolarHBondContact O-N 3.34Å; L202-S225 VanDerWaalsContact CD2-CA 3.46Å; L202-C228 HydrophobicContact CD2-CB 3.86Å; L202-L236 HydrophobicContact CD1-CD1 4.03Å; L202-L236 HydrophobicContact CD1-CD2 4.24Å; L202-L236 HydrophobicContact CD2-CD2 3.97Å; L202-L236 HydrophobicContact CG-CD1 3.92Å; L202-L236 HydrophobicContact CG-CD2 4.22Å |
| 203 | C | 57.1 | Low | 55.7 | Low | 18 Ų | 18 | 66.2 Ų | 66.2 | 12% | 0.122 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -56 | -43.4 | 167.4 | 172.2 | 0 | 0 | 0 | 0 | 112.5 | K199 C201 L206 Q207 F221 | K199-C203 WeakPolarHBondContact O-CB 3.3Å; K199-C203 PolarHBondContact O-N 3.05Å; C201-C203 VanDerWaalsContact C-N 3.26Å; C201-C203 PolarHBondContact O-N 3.35Å; C203-L206 PolarHBondContact O-N 3.48Å; C203-Q207 VanDerWaalsContact O-CB 3.29Å; C203-Q207 WeakPolarHBondContact O-CB 3.29Å; C203-Q207 WeakPolarHBondContact O-CG 3.43Å; C203-Q207 PolarHBondContact O-N 3.23Å; C203-F221 HydrophobicContact CB-CB 4.08Å; C203-F221 WeakPolarHBondContact SG-CB 3.41Å |
| 204 | R | 59.8 | Low | 57.8 | Low | 83 Ų | 83 | 65.9 Ų | 65.9 | 31% | 0.313 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -69.7 | -38.3 | 178.6 | -165.4 | 170.1 | -175.1 | 140.3 | 8.1 | 112.8 | L7 Y8 K200 C201 L202 V208 | L7-R204 VanDerWaalsContact CD1-NH2 3.27Å; Y8-R204 HydrophobicContact CD1-CG 4.21Å; Y8-R204 HydrophobicContact CE1-CG 3.94Å; K200-R204 VanDerWaalsContact O-CB 3.23Å; K200-R204 WeakPolarHBondContact O-CB 3.44Å; K200-R204 PolarHBondContact O-N 3.29Å; C201-R204 PolarHBondContact O-N 3.47Å; L202-R204 VanDerWaalsContact C-N 3.34Å; L202-R204 PolarHBondContact O-N 2.96Å; R204-V208 VanDerWaalsContact O-CG2 3.3Å; R204-V208 WeakPolarHBondContact O-CG2 3.31Å; R204-V208 PolarHBondContact O-N 3.39Å |
| 205 | I | 62.7 | Low | 59.9 | Low | 18 Ų | 18 | 61.4 Ų | 61.4 | 9% | 0.092 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -62.9 | -48.8 | 173.1 | -64.4 | 166.1 | 0 | 0 | 0 | 109.5 | Y8 P176 C201 L202 Q207 V208 L209 L236 | Y8-I205 HydrophobicContact CD1-CG1 4.03Å; P176-I205 HydrophobicContact CB-CD1 4.36Å; C201-I205 WeakPolarHBondContact O-CG1 3.03Å; C201-I205 PolarHBondContact O-N 2.83Å; L202-I205 PolarHBondContact O-N 3.03Å; I205-Q207 PolarHBondContact O-N 3.29Å; I205-V208 PolarHBondContact O-N 3.41Å; I205-V208 VanDerWaalsContact O-N 3.09Å; I205-L209 HydrophobicContact CG2-CD1 3.83Å; I205-L209 HydrophobicContact CG2-CG 4.27Å; I205-L209 WeakPolarHBondContact O-CG 3.26Å; I205-L209 PolarHBondContact O-N 3Å; I205-L236 HydrophobicContact CB-CD1 4.28Å; I205-L236 HydrophobicContact CG2-CD1 3.66Å |
| 206 | L | 68.4 | Low | 61.8 | Low | 0 Ų | 0 | 58.2 Ų | 58.2 | 0% | 0 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -59.7 | -46.2 | 176.1 | -75.9 | 168.3 | 0 | 0 | 0 | 111.7 | L202 C203 V208 L209 C210 F221 L224 L236 I240 | L202-L206 HydrophobicContact CD2-CD1 3.66Å; L202-L206 HydrophobicContact CD2-CG 4.24Å; L202-L206 VanDerWaalsContact O-CB 3.28Å; L202-L206 WeakPolarHBondContact O-CB 3.45Å; L202-L206 VanDerWaalsContact O-CG 3.24Å; L202-L206 WeakPolarHBondContact O-CG 3.4Å; L202-L206 PolarHBondContact O-N 3.34Å; C203-L206 PolarHBondContact O-N 3.48Å; L206-V208 PolarHBondContact O-N 2.99Å; L206-L209 PolarHBondContact O-N 3.2Å; L206-C210 WeakPolarHBondContact O-CB 3.44Å; L206-C210 PolarHBondContact O-N 3.42Å; L206-C210 PolarHBondContact O-SG 2.89Å; L206-F221 HydrophobicContact CB-CD1 3.9Å; L206-F221 HydrophobicContact CB-CE1 4.4Å; L206-L224 HydrophobicContact CD1-CB 4.24Å; L206-L224 HydrophobicContact CD1-CD2 3.71Å; L206-L224 HydrophobicContact CD1-CG 3.95Å; L206-L224 HydrophobicContact CD2-CD2 3.84Å; L206-L224 HydrophobicContact CG-CD2 4.41Å; L206-L236 HydrophobicContact CD2-CD2 4.17Å; L206-I240 HydrophobicContact CD2-CD1 4.23Å |
| 207 | Q | 71.2 | Confident | 63.1 | Low | 89 Ų | 89 | 64.1 Ų | 64.1 | 42% | 0.416 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -53.8 | -33.2 | 176.1 | -82.8 | 173.7 | -6.8 | 0 | 0 | 111.6 | C203 I205 R211 F221 | C203-Q207 VanDerWaalsContact O-CB 3.29Å; C203-Q207 WeakPolarHBondContact O-CB 3.29Å; C203-Q207 WeakPolarHBondContact O-CG 3.43Å; C203-Q207 PolarHBondContact O-N 3.23Å; I205-Q207 PolarHBondContact O-N 3.29Å; Q207-R211 WeakPolarHBondContact O-CG 3.34Å; Q207-R211 PolarHBondContact O-N 3.13Å; Q207-F221 HydrophobicContact CG-CD1 4.15Å; Q207-F221 HydrophobicContact CG-CD2 4.04Å; Q207-F221 HydrophobicContact CG-CE1 4.11Å; Q207-F221 HydrophobicContact CG-CE2 4Å; Q207-F221 HydrophobicContact CG-CG 4.11Å; Q207-F221 HydrophobicContact CG-CZ 4.03Å |
| 208 | V | 70 | Confident | 64.6 | Low | 37 Ų | 37 | 69 Ų | 69 | 22% | 0.224 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -89.4 | -41.8 | -174.6 | 165.3 | 0 | 0 | 0 | 0 | 112.5 | Y8 R204 I205 L206 C210 R211 | Y8-V208 HydrophobicContact CE1-CB 3.87Å; Y8-V208 HydrophobicContact CE1-CG1 4.26Å; Y8-V208 HydrophobicContact CE1-CG2 3.65Å; Y8-V208 HydrophobicContact CE2-CG1 4.23Å; Y8-V208 WeakPolarHBondContact OH-CB 3.36Å; Y8-V208 WeakPolarHBondContact OH-CG1 3.46Å; Y8-V208 WeakPolarHBondContact OH-CG2 3.3Å; R204-V208 VanDerWaalsContact O-CG2 3.3Å; R204-V208 WeakPolarHBondContact O-CG2 3.31Å; R204-V208 PolarHBondContact O-N 3.39Å; I205-V208 PolarHBondContact O-N 3.41Å; I205-V208 VanDerWaalsContact O-N 3.09Å; L206-V208 PolarHBondContact O-N 2.99Å; V208-C210 PolarHBondContact O-N 2.74Å; V208-R211 WeakPolarHBondContact O-CB 3.39Å; V208-R211 PolarHBondContact O-N 2.69Å |
| 209 | L | 73.7 | Confident | 66.3 | Low | 57 Ų | 57 | 67.2 Ų | 67.2 | 30% | 0.298 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -61.6 | -33.1 | 170.5 | -66.3 | 175.8 | 0 | 0 | 0 | 111 | I205 L206 L236 I240 | I205-L209 HydrophobicContact CG2-CD1 3.83Å; I205-L209 HydrophobicContact CG2-CG 4.27Å; I205-L209 WeakPolarHBondContact O-CG 3.26Å; I205-L209 PolarHBondContact O-N 3Å; L206-L209 PolarHBondContact O-N 3.2Å; L209-L236 HydrophobicContact CD1-CB 3.85Å; L209-I240 HydrophobicContact CB-CD1 3.39Å; L209-I240 HydrophobicContact CD1-CD1 3.99Å; L209-I240 HydrophobicContact CG-CD1 4.34Å |
| 210 | C | 73.2 | Confident | 67.9 | Low | 6 Ų | 6 | 70.8 Ų | 70.8 | 4% | 0.041 | 34% | 0.343 | C | S | . | . | G | 310 helix | trans | -86.9 | 1.8 | 177.7 | -61.1 | 0 | 0 | 0 | 0 | 114.7 | L206 V208 S212 L213 L215 F221 | L206-C210 WeakPolarHBondContact O-CB 3.44Å; L206-C210 PolarHBondContact O-N 3.42Å; L206-C210 PolarHBondContact O-SG 2.89Å; V208-C210 PolarHBondContact O-N 2.74Å; C210-S212 PolarHBondContact O-N 2.7Å; C210-S212 VanDerWaalsContact O-N 3.16Å; C210-L213 HydrophobicContact CB-CD1 4.27Å; C210-L213 PolarHBondContact O-N 3.49Å; C210-L215 HydrophobicContact CB-CD1 3.69Å; C210-L215 HydrophobicContact CB-CG 4.44Å; C210-F221 HydrophobicContact CB-CE1 4.3Å |
| 211 | R | 75 | Confident | 69.3 | Low | 167 Ų | 167 | 66.2 Ų | 66.2 | 63% | 0.63 | 32% | 0.323 | S | S | * | . | G | 310 helix | trans | -57.6 | -31 | 178.7 | -84.7 | 173.5 | -172.4 | -171.1 | -1 | 113.2 | Q207 V208 | Q207-R211 WeakPolarHBondContact O-CG 3.34Å; Q207-R211 PolarHBondContact O-N 3.13Å; V208-R211 WeakPolarHBondContact O-CB 3.39Å; V208-R211 PolarHBondContact O-N 2.69Å |
| 212 | S | 72 | Confident | 70.3 | Confident | 108 Ų | 108 | 67.6 Ų | 67.6 | 76% | 0.755 | 33% | 0.333 | S | S | * | . | G | 310 helix | trans | -89.6 | 0.2 | 179.6 | 56.7 | 0 | 0 | 0 | 0 | 113.7 | C210 | C210-S212 PolarHBondContact O-N 2.7Å; C210-S212 VanDerWaalsContact O-N 3.16Å |
| 213 | L | 78.3 | Confident | 71.2 | Confident | 49 Ų | 49 | 71 Ų | 71 | 26% | 0.257 | 35% | 0.348 | S | S | . | . | S | Bend | trans | -106 | 142.9 | -173.4 | -62.1 | 175 | 0 | 0 | 0 | 111.8 | C210 L215 I240 | C210-L213 HydrophobicContact CB-CD1 4.27Å; C210-L213 PolarHBondContact O-N 3.49Å; L213-L215 HydrophobicContact CB-CG 4.49Å; L213-L215 PolarHBondContact O-N 2.89Å; L213-I240 HydrophobicContact CD1-CG2 3.31Å |
| 214 | K | 80.1 | Confident | 72 | Confident | 116 Ų | 116 | 70.2 Ų | 70.2 | 50% | 0.504 | 34% | 0.343 | S | S | . | . | trans | -79.4 | 99.4 | 168.5 | -65.5 | -176.1 | -178.5 | -179.3 | 0 | 108.9 | F316 V317 | K214-F316 HydrophobicContact CB-CD1 3.97Å; K214-F316 HydrophobicContact CB-CE1 4.28Å; K214-F316 WeakPolarHBondContact O-CA 3.29Å; K214-V317 PolarHBondContact O-N 3.05Å | ||
| 215 | L | 79.5 | Confident | 72.3 | Confident | 32 Ų | 32 | 66.3 Ų | 66.3 | 17% | 0.168 | 33% | 0.328 | C | S | . | . | B | Isolated β-bridge | trans | -96.6 | 155.7 | 177 | -67 | 176 | 0 | 0 | 0 | 111.5 | C210 L213 F219 F221 F316 V317 F322 | C210-L215 HydrophobicContact CB-CD1 3.69Å; C210-L215 HydrophobicContact CB-CG 4.44Å; L213-L215 HydrophobicContact CB-CG 4.49Å; L213-L215 PolarHBondContact O-N 2.89Å; L215-F219 HydrophobicContact CB-CB 4.39Å; L215-F219 HydrophobicContact CD1-CD1 4.07Å; L215-F219 HydrophobicContact CD1-CG 4.26Å; L215-F219 HydrophobicContact CD2-CD2 4.4Å; L215-F219 HydrophobicContact CD2-CE2 4.5Å; L215-F221 HydrophobicContact CD1-CE1 3.92Å; L215-F221 HydrophobicContact CD1-CZ 3.59Å; L215-F316 WeakPolarHBondContact O-CD1 3.42Å; L215-V317 HydrophobicContact CD2-CB 4.17Å; L215-F322 HydrophobicContact CD2-CE2 4.36Å |
| 216 | E | 80.2 | Confident | 72.5 | Confident | 81 Ų | 81 | 71.9 Ų | 71.9 | 38% | 0.379 | 35% | 0.348 | S | S | . | . | trans | -57.7 | 141.3 | 167.7 | -171.4 | 179.7 | 174.7 | 0 | 0 | 111.6 | N218 F219 V317 | E216-N218 PolarHBondContact O-N 2.94Å; E216-N218 VanDerWaalsContact O-N 3.07Å; E216-F219 WeakPolarHBondContact O-CB 3.3Å; E216-F219 PolarHBondContact O-N 3.3Å; E216-F219 VanDerWaalsContact O-N 3.15Å; E216-V317 PolarHBondContact N-O 3.06Å | ||
| 217 | K | 67.2 | Low | 72.6 | Confident | 208 Ų | 208 | 75 Ų | 75 | 90% | 0.904 | 36% | 0.363 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.7 | -28.6 | -175.4 | -67.5 | -178.6 | -179.5 | 177 | 0 | 113.5 | ||
| 218 | N | 69.1 | Low | 72.5 | Confident | 131 Ų | 131 | 70.9 Ų | 70.9 | 70% | 0.701 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104.9 | 32.3 | -177.1 | -64.4 | -19.9 | 0 | 0 | 0 | 112.9 | E216 N220 | E216-N218 PolarHBondContact O-N 2.94Å; E216-N218 VanDerWaalsContact O-N 3.07Å; N218-N220 PolarHBondContact O-N 2.96Å |
| 219 | F | 70.6 | Confident | 72.3 | Confident | 19 Ų | 19 | 71.6 Ų | 71.6 | 8% | 0.083 | 35% | 0.349 | C | S | . | . | trans | -70.4 | 113.5 | -176.3 | -166.9 | -97.6 | 0 | 0 | 0 | 113.2 | L215 E216 F221 L224 M319 F322 | L215-F219 HydrophobicContact CB-CB 4.39Å; L215-F219 HydrophobicContact CD1-CD1 4.07Å; L215-F219 HydrophobicContact CD1-CG 4.26Å; L215-F219 HydrophobicContact CD2-CD2 4.4Å; L215-F219 HydrophobicContact CD2-CE2 4.5Å; E216-F219 WeakPolarHBondContact O-CB 3.3Å; E216-F219 PolarHBondContact O-N 3.3Å; E216-F219 VanDerWaalsContact O-N 3.15Å; F219-F221 AromaticContact CD1-CD1 3.71Å; F219-F221 HydrophobicContact CD1-CD1 3.71Å; F219-F221 HydrophobicContact CD1-CD2 4.06Å; F219-F221 AromaticContact CD1-CE1 3.65Å; F219-F221 HydrophobicContact CD1-CE1 3.65Å; F219-F221 HydrophobicContact CD1-CE2 4Å; F219-F221 AromaticContact CD1-CG 3.92Å; F219-F221 HydrophobicContact CD1-CG 3.92Å; F219-F221 AromaticContact CD1-CZ 3.8Å; F219-F221 HydrophobicContact CD1-CZ 3.8Å; F219-F221 AromaticContact CE1-CD1 3.63Å; F219-F221 HydrophobicContact CE1-CD1 3.63Å; F219-F221 AromaticContact CE1-CE1 3.76Å; F219-F221 HydrophobicContact CE1-CE1 3.76Å; F219-F221 HydrophobicContact CE1-CG 4.15Å; F219-F221 HydrophobicContact CE1-CZ 4.38Å; F219-F221 PolarHBondContact O-N 2.86Å; F219-L224 HydrophobicContact CE1-CD2 4.26Å; F219-L224 HydrophobicContact CZ-CD2 3.91Å; F219-M319 HydrophobicContact CD2-SD 4.04Å; F219-M319 HydrophobicContact CE2-SD 3.43Å; F219-M319 WeakPolarHBondContact CE2-SD 3.23Å; F219-M319 HydrophobicContact CZ-SD 3.78Å; F219-F322 HydrophobicContact CD2-CE2 4.47Å; F219-F322 AromaticContact CE2-CD2 3.46Å; F219-F322 HydrophobicContact CE2-CD2 3.46Å; F219-F322 VanDerWaalsContact CE2-CD2 3.46Å; F219-F322 AromaticContact CE2-CE2 3.33Å; F219-F322 HydrophobicContact CE2-CE2 3.33Å; F219-F322 HydrophobicContact CE2-CG 4.48Å; F219-F322 HydrophobicContact CE2-CZ 4.27Å; F219-F322 AromaticContact CZ-CD2 3.61Å; F219-F322 HydrophobicContact CZ-CD2 3.61Å; F219-F322 AromaticContact CZ-CE2 3.36Å; F219-F322 HydrophobicContact CZ-CE2 3.36Å; F219-F322 HydrophobicContact CZ-CG 4.3Å; F219-F322 AromaticContact CZ-CZ 3.88Å; F219-F322 HydrophobicContact CZ-CZ 3.88Å | ||
| 220 | N | 75.9 | Confident | 72 | Confident | 105 Ų | 105 | 69.9 Ų | 69.9 | 56% | 0.561 | 35% | 0.345 | S | S | * | . | trans | -86.8 | 82.6 | -178.8 | -77.9 | -40.2 | 0 | 0 | 0 | 112.4 | N218 S222 H223 L224 | N218-N220 PolarHBondContact O-N 2.96Å; N220-S222 PolarHBondContact O-N 2.79Å; N220-H223 HydrophobicContact CB-CB 4.07Å; N220-H223 PolarHBondContact O-N 3.12Å; N220-L224 PolarHBondContact O-N 2.9Å | ||
| 221 | F | 73 | Confident | 72 | Confident | 42 Ų | 42 | 70.1 Ų | 70.1 | 18% | 0.184 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -52.5 | -32 | 174.9 | -65.4 | -79.1 | 0 | 0 | 0 | 113.9 | C203 L206 Q207 C210 L215 F219 H223 S225 | C203-F221 HydrophobicContact CB-CB 4.08Å; C203-F221 WeakPolarHBondContact SG-CB 3.41Å; L206-F221 HydrophobicContact CB-CD1 3.9Å; L206-F221 HydrophobicContact CB-CE1 4.4Å; Q207-F221 HydrophobicContact CG-CD1 4.15Å; Q207-F221 HydrophobicContact CG-CD2 4.04Å; Q207-F221 HydrophobicContact CG-CE1 4.11Å; Q207-F221 HydrophobicContact CG-CE2 4Å; Q207-F221 HydrophobicContact CG-CG 4.11Å; Q207-F221 HydrophobicContact CG-CZ 4.03Å; C210-F221 HydrophobicContact CB-CE1 4.3Å; L215-F221 HydrophobicContact CD1-CE1 3.92Å; L215-F221 HydrophobicContact CD1-CZ 3.59Å; F219-F221 AromaticContact CD1-CD1 3.71Å; F219-F221 HydrophobicContact CD1-CD1 3.71Å; F219-F221 HydrophobicContact CD1-CD2 4.06Å; F219-F221 AromaticContact CD1-CE1 3.65Å; F219-F221 HydrophobicContact CD1-CE1 3.65Å; F219-F221 HydrophobicContact CD1-CE2 4Å; F219-F221 AromaticContact CD1-CG 3.92Å; F219-F221 HydrophobicContact CD1-CG 3.92Å; F219-F221 AromaticContact CD1-CZ 3.8Å; F219-F221 HydrophobicContact CD1-CZ 3.8Å; F219-F221 AromaticContact CE1-CD1 3.63Å; F219-F221 HydrophobicContact CE1-CD1 3.63Å; F219-F221 AromaticContact CE1-CE1 3.76Å; F219-F221 HydrophobicContact CE1-CE1 3.76Å; F219-F221 HydrophobicContact CE1-CG 4.15Å; F219-F221 HydrophobicContact CE1-CZ 4.38Å; F219-F221 PolarHBondContact O-N 2.86Å; F221-H223 VanDerWaalsContact C-N 3.33Å; F221-H223 PolarHBondContact O-N 3.23Å; F221-S225 WeakPolarHBondContact O-CB 3.41Å; F221-S225 PolarHBondContact O-N 2.75Å; F221-S225 PolarHBondContact O-OG 2.73Å |
| 222 | S | 66.9 | Low | 72 | Confident | 42 Ų | 42 | 62.2 Ų | 62.2 | 29% | 0.294 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -66.5 | -33.5 | 178.3 | 78.8 | 0 | 0 | 0 | 0 | 113 | N220 S225 R226 | N220-S222 PolarHBondContact O-N 2.79Å; S222-S225 WeakPolarHBondContact CA-OG 3.23Å; S222-S225 PolarHBondContact O-OG 2.92Å; S222-R226 WeakPolarHBondContact O-CG 3.23Å; S222-R226 PolarHBondContact O-N 3.38Å |
| 223 | H | 70.5 | Confident | 72.1 | Confident | 84 Ų | 84 | 58.2 Ų | 58.2 | 39% | 0.389 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -73 | -48.3 | 179.6 | -174.3 | 80.5 | 0 | 0 | 0 | 109.9 | N220 F221 S225 R226 Q227 M319 | N220-H223 HydrophobicContact CB-CB 4.07Å; N220-H223 PolarHBondContact O-N 3.12Å; F221-H223 VanDerWaalsContact C-N 3.33Å; F221-H223 PolarHBondContact O-N 3.23Å; H223-S225 PolarHBondContact O-N 3.09Å; H223-R226 WeakPolarHBondContact O-CB 3.36Å; H223-R226 PolarHBondContact O-N 3.46Å; H223-Q227 PolarHBondContact NE2-NE2 2.66Å; H223-Q227 PolarHBondContact O-N 3.15Å; H223-M319 HydrophobicContact CB-CE 3.65Å; H223-M319 VanDerWaalsContact CD2-CE 3.47Å; H223-M319 WeakPolarHBondContact CD2-CE 3.47Å |
| 224 | L | 74.6 | Confident | 72.2 | Confident | 0 Ų | 0 | 58.2 Ų | 58.2 | 0% | 0 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -55.3 | -40.9 | 174.7 | -174 | 60.9 | 0 | 0 | 0 | 111.1 | L206 F219 N220 R226 Q227 C228 L239 M319 F322 L326 | L206-L224 HydrophobicContact CD1-CB 4.24Å; L206-L224 HydrophobicContact CD1-CD2 3.71Å; L206-L224 HydrophobicContact CD1-CG 3.95Å; L206-L224 HydrophobicContact CD2-CD2 3.84Å; L206-L224 HydrophobicContact CG-CD2 4.41Å; F219-L224 HydrophobicContact CE1-CD2 4.26Å; F219-L224 HydrophobicContact CZ-CD2 3.91Å; N220-L224 PolarHBondContact O-N 2.9Å; L224-R226 VanDerWaalsContact C-N 3.27Å; L224-R226 PolarHBondContact O-N 3.01Å; L224-Q227 PolarHBondContact O-N 2.95Å; L224-C228 PolarHBondContact O-N 3.4Å; L224-C228 PolarHBondContact O-SG 3.17Å; L224-L239 HydrophobicContact CD1-CD2 4.2Å; L224-M319 HydrophobicContact CB-CE 3.91Å; L224-F322 HydrophobicContact CD1-CB 3.8Å; L224-F322 HydrophobicContact CD1-CD1 3.99Å; L224-F322 HydrophobicContact CD1-CG 4.1Å; L224-F322 HydrophobicContact CD2-CD1 3.63Å; L224-F322 HydrophobicContact CD2-CE1 3.83Å; L224-F322 HydrophobicContact CD2-CG 4.1Å; L224-F322 HydrophobicContact CD2-CZ 4.44Å; L224-L326 HydrophobicContact CD1-CD1 4.22Å |
| 225 | S | 66.7 | Low | 72.4 | Confident | 1 Ų | 1 | 53 Ų | 53 | 1% | 0.007 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -63.9 | -30 | 179 | 70.6 | 0 | 0 | 0 | 0 | 114.9 | K199 L202 F221 S222 H223 C228 | K199-S225 PolarHBondContact O-OG 3.19Å; L202-S225 VanDerWaalsContact CD2-CA 3.46Å; F221-S225 WeakPolarHBondContact O-CB 3.41Å; F221-S225 PolarHBondContact O-N 2.75Å; F221-S225 PolarHBondContact O-OG 2.73Å; S222-S225 WeakPolarHBondContact CA-OG 3.23Å; S222-S225 PolarHBondContact O-OG 2.92Å; H223-S225 PolarHBondContact O-N 3.09Å; S225-C228 PolarHBondContact O-N 3.37Å |
| 226 | R | 66.2 | Low | 72.6 | Confident | 136 Ų | 136 | 51.5 Ų | 51.5 | 51% | 0.513 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -73.4 | -32.9 | 177.2 | -68.5 | 174.2 | -158.3 | -175.4 | 4.1 | 111.5 | K199 S222 H223 L224 C228 | K199-R226 HydrophobicContact CG-CG 4.41Å; S222-R226 WeakPolarHBondContact O-CG 3.23Å; S222-R226 PolarHBondContact O-N 3.38Å; H223-R226 WeakPolarHBondContact O-CB 3.36Å; H223-R226 PolarHBondContact O-N 3.46Å; L224-R226 VanDerWaalsContact C-N 3.27Å; L224-R226 PolarHBondContact O-N 3.01Å; R226-C228 PolarHBondContact O-N 3.21Å |
| 227 | Q | 70.6 | Confident | 72.8 | Confident | 66 Ų | 66 | 53.7 Ų | 53.7 | 31% | 0.308 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -78.2 | -9.4 | 178.6 | -64.8 | 171.5 | -44.8 | 0 | 0 | 112.9 | H223 L224 P229 D323 L326 | H223-Q227 PolarHBondContact NE2-NE2 2.66Å; H223-Q227 PolarHBondContact O-N 3.15Å; L224-Q227 PolarHBondContact O-N 2.95Å; Q227-P229 WeakPolarHBondContact O-CD 3.29Å; Q227-D323 PolarHBondContact NE2-OD1 3.49Å; Q227-D323 PolarHBondContact OE1-OD1 3.05Å; Q227-L326 HydrophobicContact CB-CD1 3.72Å; Q227-L326 HydrophobicContact CG-CD1 4.37Å |
| 228 | C | 68.6 | Low | 73.8 | Confident | 2 Ų | 2 | 45.1 Ų | 45.1 | 1% | 0.014 | 25% | 0.245 | C | C | . | . | trans | -113.1 | 52.3 | -175.3 | -58.6 | 0 | 0 | 0 | 0 | 114.4 | L202 L224 S225 R226 F231 L236 | L202-C228 HydrophobicContact CD2-CB 3.86Å; L224-C228 PolarHBondContact O-N 3.4Å; L224-C228 PolarHBondContact O-SG 3.17Å; S225-C228 PolarHBondContact O-N 3.37Å; R226-C228 PolarHBondContact O-N 3.21Å; C228-F231 VanDerWaalsContact C-CD2 3.48Å; C228-F231 VanDerWaalsContact CA-CD2 3.42Å; C228-F231 HydrophobicContact CB-CB 4.14Å; C228-F231 HydrophobicContact CB-CD1 4.49Å; C228-F231 HydrophobicContact CB-CD2 3.55Å; C228-F231 HydrophobicContact CB-CE2 4.03Å; C228-F231 HydrophobicContact CB-CG 3.81Å; C228-L236 HydrophobicContact CB-CD2 4.47Å | ||
| 229 | P | 66.4 | Low | 74.7 | Confident | 52 Ų | 52 | 38.9 Ų | 38.9 | 34% | 0.338 | 21% | 0.211 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.7 | 136.4 | 172.9 | 30.6 | -32.9 | 0 | 0 | 0 | 110.7 | Q227 F231 | Q227-P229 WeakPolarHBondContact O-CD 3.29Å; P229-F231 VanDerWaalsContact C-N 3.27Å; P229-F231 PolarHBondContact O-N 3.21Å |
| 230 | G | 67.8 | Low | 75.6 | Confident | 21 Ų | 21 | 38.7 Ų | 38.7 | 22% | 0.216 | 21% | 0.211 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 74.6 | 7.9 | 178.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | A333 | G230-A333 WeakPolarHBondContact O-CB 3.46Š|
| 231 | F | 72.8 | Confident | 76.3 | Confident | 10 Ų | 10 | 40.2 Ų | 40.2 | 4% | 0.044 | 21% | 0.209 | C | C | . | . | trans | -73.8 | 133.4 | 173.1 | -80.7 | -112.2 | 0 | 0 | 0 | 110.6 | C228 P229 D235 L236 L239 L326 V329 P331 | C228-F231 VanDerWaalsContact C-CD2 3.48Å; C228-F231 VanDerWaalsContact CA-CD2 3.42Å; C228-F231 HydrophobicContact CB-CB 4.14Å; C228-F231 HydrophobicContact CB-CD1 4.49Å; C228-F231 HydrophobicContact CB-CD2 3.55Å; C228-F231 HydrophobicContact CB-CE2 4.03Å; C228-F231 HydrophobicContact CB-CG 3.81Å; P229-F231 VanDerWaalsContact C-N 3.27Å; P229-F231 PolarHBondContact O-N 3.21Å; F231-D235 HydrophobicContact CB-CB 4.22Å; F231-D235 HydrophobicContact CD1-CB 3.53Å; F231-D235 HydrophobicContact CE1-CB 4.29Å; F231-D235 HydrophobicContact CG-CB 4.2Å; F231-L236 HydrophobicContact CB-CD2 3.81Å; F231-L236 HydrophobicContact CB-CG 4.16Å; F231-L236 HydrophobicContact CD1-CD2 4.22Å; F231-L236 HydrophobicContact CG-CD2 4.3Å; F231-L239 HydrophobicContact CE1-CD2 4.43Å; F231-L326 HydrophobicContact CE1-CD2 4.48Å; F231-L326 HydrophobicContact CZ-CD2 3.95Å; F231-V329 HydrophobicContact CE1-CG1 4.01Å; F231-P331 HydrophobicContact CD2-CB 3.84Å; F231-P331 HydrophobicContact CD2-CG 4.48Å; F231-P331 HydrophobicContact CE2-CB 3.85Å; F231-P331 HydrophobicContact CE2-CG 4.08Å; F231-P331 HydrophobicContact CG-CB 4.24Å; F231-P331 HydrophobicContact CZ-CB 4.24Å; F231-P331 HydrophobicContact CZ-CG 4.49Å | ||
| 232 | V | 74.5 | Confident | 77.2 | Confident | 2 Ų | 2 | 41.1 Ų | 41.1 | 1% | 0.012 | 21% | 0.213 | C | C | . | . | trans | -94.8 | 164.3 | 174.5 | -159.3 | 0 | 0 | 0 | 0 | 109.8 | G51 C52 A234 D235 L236 | G51-V232 VanDerWaalsContact O-CG1 3.3Å; G51-V232 WeakPolarHBondContact O-CG1 3.38Å; C52-V232 VanDerWaalsContact CA-CG1 3.46Å; C52-V232 HydrophobicContact CB-CG1 4.07Å; C52-V232 VanDerWaalsContact N-CG1 3.29Å; C52-V232 WeakPolarHBondContact SG-CG1 3.49Å; V232-A234 PolarHBondContact O-N 3.02Å; V232-A234 VanDerWaalsContact O-N 3.14Å; V232-D235 PolarHBondContact N-OD2 3.17Å; V232-D235 WeakPolarHBondContact O-CA 3.4Å; V232-D235 WeakPolarHBondContact O-CB 3.47Å; V232-D235 PolarHBondContact O-N 3.41Å; V232-L236 PolarHBondContact O-N 3.15Å | ||
| 233 | G | 74.8 | Confident | 78.3 | Confident | 23 Ų | 23 | 39.1 Ų | 39.1 | 24% | 0.237 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -52.7 | -36 | 180 | 0 | 0 | 0 | 0 | 0 | 114.3 | K237 | G233-K237 PolarHBondContact O-N 3.28Å; G233-K237 VanDerWaalsContact O-N 3.15Å |
| 234 | A | 80.6 | Confident | 79.2 | Confident | 50 Ų | 50 | 36.5 Ų | 36.5 | 41% | 0.413 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -66.5 | -40.8 | 172.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | G51 V232 K237 A238 | G51-A234 PolarHBondContact O-N 3.29Å; G51-A234 VanDerWaalsContact O-N 3.09Å; V232-A234 PolarHBondContact O-N 3.02Å; V232-A234 VanDerWaalsContact O-N 3.14Å; A234-K237 WeakPolarHBondContact O-CB 3.38Å; A234-K237 PolarHBondContact O-N 3.42Å; A234-A238 PolarHBondContact O-N 3.35Å |
| 235 | D | 84.6 | Confident | 79.9 | Confident | 7 Ų | 7 | 39.3 Ų | 39.3 | 4% | 0.037 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -65.7 | -40.8 | 178 | -56.1 | -33.7 | 0 | 0 | 0 | 111 | F231 V232 K237 A238 L239 S332 | F231-D235 HydrophobicContact CB-CB 4.22Å; F231-D235 HydrophobicContact CD1-CB 3.53Å; F231-D235 HydrophobicContact CE1-CB 4.29Å; F231-D235 HydrophobicContact CG-CB 4.2Å; V232-D235 PolarHBondContact N-OD2 3.17Å; V232-D235 WeakPolarHBondContact O-CA 3.4Å; V232-D235 WeakPolarHBondContact O-CB 3.47Å; V232-D235 PolarHBondContact O-N 3.41Å; D235-K237 VanDerWaalsContact C-N 3.3Å; D235-K237 PolarHBondContact O-N 3.27Å; D235-A238 CarbonylContact O-C 3.55Å; D235-A238 WeakPolarHBondContact O-CB 3.44Å; D235-A238 PolarHBondContact O-N 2.65Å; D235-A238 VanDerWaalsContact O-N 3.16Å; D235-L239 WeakPolarHBondContact O-CB 3.46Å; D235-L239 PolarHBondContact O-N 3.41Å; D235-S332 WeakPolarHBondContact OD1-CB 3.27Å; D235-S332 PolarHBondContact OD1-N 3.36Å; D235-S332 PolarHBondContact OD1-OG 2.94Å; D235-S332 VanDerWaalsContact OD2-CB 3.29Å; D235-S332 WeakPolarHBondContact OD2-CB 3.12Å; D235-S332 PolarHBondContact OD2-N 3.34Å; D235-S332 PolarHBondContact OD2-OG 3.25Å |
| 236 | L | 82.4 | Confident | 80.9 | Confident | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -62.9 | -39.2 | 175.6 | -64 | 174.8 | 0 | 0 | 0 | 111.4 | L202 I205 L206 L209 C228 F231 V232 A238 L239 I240 | L202-L236 HydrophobicContact CD1-CD1 4.03Å; L202-L236 HydrophobicContact CD1-CD2 4.24Å; L202-L236 HydrophobicContact CD2-CD2 3.97Å; L202-L236 HydrophobicContact CG-CD1 3.92Å; L202-L236 HydrophobicContact CG-CD2 4.22Å; I205-L236 HydrophobicContact CB-CD1 4.28Å; I205-L236 HydrophobicContact CG2-CD1 3.66Å; L206-L236 HydrophobicContact CD2-CD2 4.17Å; L209-L236 HydrophobicContact CD1-CB 3.85Å; C228-L236 HydrophobicContact CB-CD2 4.47Å; F231-L236 HydrophobicContact CB-CD2 3.81Å; F231-L236 HydrophobicContact CB-CG 4.16Å; F231-L236 HydrophobicContact CD1-CD2 4.22Å; F231-L236 HydrophobicContact CG-CD2 4.3Å; V232-L236 PolarHBondContact O-N 3.15Å; L236-A238 VanDerWaalsContact C-N 3.33Å; L236-L239 PolarHBondContact O-N 2.8Å; L236-I240 WeakPolarHBondContact O-CB 3.24Å; L236-I240 WeakPolarHBondContact O-CD1 3.43Å; L236-I240 VanDerWaalsContact O-CG1 3.24Å; L236-I240 WeakPolarHBondContact O-CG1 3.28Å; L236-I240 PolarHBondContact O-N 2.97Å |
| 237 | K | 84.3 | Confident | 81.9 | Confident | 127 Ų | 127 | 33.9 Ų | 33.9 | 55% | 0.552 | 19% | 0.188 | S | C | * | . | H | α-helix | trans | -65.1 | -38 | 174.1 | -170.4 | 176.6 | -177.8 | 179.3 | 0 | 111.7 | G233 A234 D235 R241 | G233-K237 PolarHBondContact O-N 3.28Å; G233-K237 VanDerWaalsContact O-N 3.15Å; A234-K237 WeakPolarHBondContact O-CB 3.38Å; A234-K237 PolarHBondContact O-N 3.42Å; D235-K237 VanDerWaalsContact C-N 3.3Å; D235-K237 PolarHBondContact O-N 3.27Å; K237-R241 PolarHBondContact O-N 2.77Å; K237-R241 VanDerWaalsContact O-N 3.12Å |
| 238 | A | 88.8 | Confident | 82.6 | Confident | 28 Ų | 28 | 34.4 Ų | 34.4 | 23% | 0.231 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -67.3 | -43.9 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | A234 D235 L236 I240 R241 E242 V329 | A234-A238 PolarHBondContact O-N 3.35Å; D235-A238 CarbonylContact O-C 3.55Å; D235-A238 WeakPolarHBondContact O-CB 3.44Å; D235-A238 PolarHBondContact O-N 2.65Å; D235-A238 VanDerWaalsContact O-N 3.16Å; L236-A238 VanDerWaalsContact C-N 3.33Å; A238-I240 PolarHBondContact O-N 2.88Å; A238-R241 WeakPolarHBondContact O-CB 3.2Å; A238-R241 PolarHBondContact O-N 2.99Å; A238-R241 VanDerWaalsContact O-N 3.11Å; A238-E242 PolarHBondContact O-N 2.86Å; A238-V329 HydrophobicContact CB-CG1 4.44Å |
| 239 | L | 88.9 | Confident | 83.3 | Confident | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -58.5 | -46.1 | 176.3 | -178.5 | 67.4 | 0 | 0 | 0 | 112.1 | L224 F231 D235 L236 R241 E242 A243 F322 A325 L326 V329 | L224-L239 HydrophobicContact CD1-CD2 4.2Å; F231-L239 HydrophobicContact CE1-CD2 4.43Å; D235-L239 WeakPolarHBondContact O-CB 3.46Å; D235-L239 PolarHBondContact O-N 3.41Å; L236-L239 PolarHBondContact O-N 2.8Å; L239-R241 VanDerWaalsContact C-N 3.31Å; L239-R241 PolarHBondContact O-N 2.94Å; L239-E242 PolarHBondContact O-N 2.93Å; L239-A243 WeakPolarHBondContact O-CB 3.42Å; L239-A243 PolarHBondContact O-N 3.04Å; L239-F322 HydrophobicContact CD2-CD1 4.43Å; L239-F322 HydrophobicContact CG-CD1 4.25Å; L239-A325 HydrophobicContact CD1-CB 3.81Å; L239-L326 HydrophobicContact CD1-CB 4.5Å; L239-L326 HydrophobicContact CD1-CD2 3.73Å; L239-L326 HydrophobicContact CD1-CG 3.9Å; L239-L326 HydrophobicContact CD2-CD2 3.85Å; L239-L326 HydrophobicContact CD2-CG 4.48Å; L239-L326 HydrophobicContact CG-CD2 4.47Å; L239-V329 HydrophobicContact CD1-CB 4.29Å; L239-V329 HydrophobicContact CD1-CG2 4.3Å |
| 240 | I | 87.9 | Confident | 84 | Confident | 14 Ų | 14 | 40.6 Ų | 40.6 | 7% | 0.072 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -60.4 | -43 | 175.4 | -74.8 | 168.3 | 0 | 0 | 0 | 110.9 | L206 L209 L213 L236 A238 A243 C244 F322 | L206-I240 HydrophobicContact CD2-CD1 4.23Å; L209-I240 HydrophobicContact CB-CD1 3.39Å; L209-I240 HydrophobicContact CD1-CD1 3.99Å; L209-I240 HydrophobicContact CG-CD1 4.34Å; L213-I240 HydrophobicContact CD1-CG2 3.31Å; L236-I240 WeakPolarHBondContact O-CB 3.24Å; L236-I240 WeakPolarHBondContact O-CD1 3.43Å; L236-I240 VanDerWaalsContact O-CG1 3.24Å; L236-I240 WeakPolarHBondContact O-CG1 3.28Å; L236-I240 PolarHBondContact O-N 2.97Å; A238-I240 PolarHBondContact O-N 2.88Å; I240-A243 PolarHBondContact O-N 3.06Å; I240-C244 PolarHBondContact O-N 3.15Å; I240-C244 PolarHBondContact O-SG 2.97Å; I240-F322 HydrophobicContact CG1-CE1 4.14Å |
| 241 | R | 91.1 | Very high | 84.4 | Confident | 137 Ų | 137 | 41.5 Ų | 41.5 | 52% | 0.517 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -61.7 | -46.1 | 177.6 | -173.2 | -172.2 | -60.9 | 126.8 | -3.8 | 111.5 | K237 A238 L239 C244 I245 | K237-R241 PolarHBondContact O-N 2.77Å; K237-R241 VanDerWaalsContact O-N 3.12Å; A238-R241 WeakPolarHBondContact O-CB 3.2Å; A238-R241 PolarHBondContact O-N 2.99Å; A238-R241 VanDerWaalsContact O-N 3.11Å; L239-R241 VanDerWaalsContact C-N 3.31Å; L239-R241 PolarHBondContact O-N 2.94Å; R241-C244 WeakPolarHBondContact O-CB 3.28Å; R241-C244 PolarHBondContact O-N 3.42Å; R241-I245 HydrophobicContact CG-CD1 4.28Å; R241-I245 WeakPolarHBondContact O-CG1 3.42Å; R241-I245 PolarHBondContact O-N 2.64Å |
| 242 | E | 91.5 | Very high | 84.3 | Confident | 61 Ų | 61 | 43.5 Ų | 43.5 | 29% | 0.285 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -62.8 | -42.5 | 176.7 | -71.2 | -53.6 | 139.1 | 0 | 0 | 111.7 | A238 L239 C244 I245 C246 A325 V329 | A238-E242 PolarHBondContact O-N 2.86Å; L239-E242 PolarHBondContact O-N 2.93Å; E242-C244 VanDerWaalsContact C-N 3.3Å; E242-C244 PolarHBondContact O-N 3.38Å; E242-I245 WeakPolarHBondContact O-CB 3.29Å; E242-I245 PolarHBondContact O-N 2.86Å; E242-I245 VanDerWaalsContact O-N 3.09Å; E242-C246 PolarHBondContact O-N 2.59Å; E242-C246 PolarHBondContact O-SG 3.49Å; E242-C246 VanDerWaalsContact O-SG 3.42Å; E242-A325 HydrophobicContact CB-CB 3.71Å; E242-V329 HydrophobicContact CB-CG2 4.09Å; E242-V329 HydrophobicContact CG-CG2 3.56Å |
| 243 | A | 90 | Very high | 84.1 | Confident | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -61.5 | -38.2 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112 | L239 I240 C246 A247 V317 D321 F322 A325 | L239-A243 WeakPolarHBondContact O-CB 3.42Å; L239-A243 PolarHBondContact O-N 3.04Å; I240-A243 PolarHBondContact O-N 3.06Å; A243-C246 PolarHBondContact O-N 2.81Å; A243-A247 PolarHBondContact O-N 3.4Å; A243-V317 HydrophobicContact CB-CG1 4.08Å; A243-D321 HydrophobicContact CB-CB 4.29Å; A243-F322 HydrophobicContact CB-CD1 3.69Å; A243-F322 HydrophobicContact CB-CD2 4.16Å; A243-F322 HydrophobicContact CB-CE1 3.67Å; A243-F322 HydrophobicContact CB-CE2 4.14Å; A243-F322 HydrophobicContact CB-CG 3.96Å; A243-F322 HydrophobicContact CB-CZ 3.91Å; A243-A325 HydrophobicContact CB-CB 4.21Å |
| 244 | C | 89.9 | Confident | 83.6 | Confident | 29 Ų | 29 | 49.2 Ų | 49.2 | 20% | 0.196 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -63.7 | -41.5 | 172.4 | -69.3 | 0 | 0 | 0 | 0 | 112.1 | I240 R241 E242 C246 A247 I248 | I240-C244 PolarHBondContact O-N 3.15Å; I240-C244 PolarHBondContact O-SG 2.97Å; R241-C244 WeakPolarHBondContact O-CB 3.28Å; R241-C244 PolarHBondContact O-N 3.42Å; E242-C244 VanDerWaalsContact C-N 3.3Å; E242-C244 PolarHBondContact O-N 3.38Å; C244-C246 VanDerWaalsContact C-N 3.33Å; C244-A247 PolarHBondContact O-N 3.1Å; C244-I248 WeakPolarHBondContact O-CB 3.14Å; C244-I248 VanDerWaalsContact O-CG1 3.23Å; C244-I248 WeakPolarHBondContact O-CG1 3.44Å; C244-I248 PolarHBondContact O-N 3.03Å |
| 245 | I | 89.8 | Confident | 82.5 | Confident | 60 Ų | 60 | 48.6 Ų | 48.6 | 31% | 0.308 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -63.4 | -41.2 | 175.8 | -67.1 | 165.1 | 0 | 0 | 0 | 110.4 | R241 E242 I248 K249 | R241-I245 HydrophobicContact CG-CD1 4.28Å; R241-I245 WeakPolarHBondContact O-CG1 3.42Å; R241-I245 PolarHBondContact O-N 2.64Å; E242-I245 WeakPolarHBondContact O-CB 3.29Å; E242-I245 PolarHBondContact O-N 2.86Å; E242-I245 VanDerWaalsContact O-N 3.09Å; I245-I248 PolarHBondContact O-N 3.48Å; I245-K249 HydrophobicContact CG2-CD 4.28Å; I245-K249 WeakPolarHBondContact O-CB 3.33Å; I245-K249 WeakPolarHBondContact O-CG 3.07Å; I245-K249 PolarHBondContact O-N 3.28Å |
| 246 | C | 87.4 | Confident | 80.8 | Confident | 22 Ų | 22 | 50.2 Ų | 50.2 | 15% | 0.149 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -61.9 | -43.3 | 174.3 | -71.6 | 0 | 0 | 0 | 0 | 112.2 | E242 A243 C244 I248 K249 R250 D321 | E242-C246 PolarHBondContact O-N 2.59Å; E242-C246 PolarHBondContact O-SG 3.49Å; E242-C246 VanDerWaalsContact O-SG 3.42Å; A243-C246 PolarHBondContact O-N 2.81Å; C244-C246 VanDerWaalsContact C-N 3.33Å; C246-I248 VanDerWaalsContact C-N 3.33Å; C246-I248 PolarHBondContact O-N 2.87Å; C246-K249 PolarHBondContact O-N 2.86Å; C246-R250 PolarHBondContact O-N 2.9Å; C246-D321 HydrophobicContact CB-CB 4.01Å |
| 247 | A | 86.8 | Confident | 79.3 | Confident | 1 Ų | 1 | 56.4 Ų | 56.4 | 1% | 0.008 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -63.2 | -40.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | A243 C244 R250 V251 L315 V317 | A243-A247 PolarHBondContact O-N 3.4Å; C244-A247 PolarHBondContact O-N 3.1Å; A247-R250 PolarHBondContact O-N 3.34Å; A247-V251 PolarHBondContact O-N 2.88Å; A247-L315 HydrophobicContact CB-CD1 4.35Å; A247-V317 HydrophobicContact CB-CB 4.47Å; A247-V317 HydrophobicContact CB-CG1 4.49Å; A247-V317 HydrophobicContact CB-CG2 4.04Å |
| 248 | I | 85.9 | Confident | 77.5 | Confident | 76 Ų | 76 | 56.3 Ų | 56.3 | 39% | 0.39 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -63 | -47.6 | 174.5 | -72.2 | 166.5 | 0 | 0 | 0 | 110.4 | C244 I245 C246 R250 V251 F252 | C244-I248 WeakPolarHBondContact O-CB 3.14Å; C244-I248 VanDerWaalsContact O-CG1 3.23Å; C244-I248 WeakPolarHBondContact O-CG1 3.44Å; C244-I248 PolarHBondContact O-N 3.03Å; I245-I248 PolarHBondContact O-N 3.48Å; C246-I248 VanDerWaalsContact C-N 3.33Å; C246-I248 PolarHBondContact O-N 2.87Å; I248-R250 VanDerWaalsContact C-N 3.3Å; I248-R250 PolarHBondContact O-N 3.49Å; I248-V251 PolarHBondContact O-N 2.91Å; I248-V251 VanDerWaalsContact O-N 3.15Å; I248-F252 HydrophobicContact CG2-CD2 3.72Å; I248-F252 HydrophobicContact CG2-CE2 3.12Å; I248-F252 HydrophobicContact CG2-CZ 3.89Å; I248-F252 WeakPolarHBondContact O-CD2 3.3Å; I248-F252 PolarHBondContact O-N 2.91Å; I248-F252 VanDerWaalsContact O-N 3.1Å |
| 249 | K | 83.2 | Confident | 75.3 | Confident | 125 Ų | 125 | 59 Ų | 59 | 54% | 0.543 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -56.7 | -42.4 | 175 | -75.5 | 176.4 | 178.8 | 179.8 | 0 | 112 | I245 C246 V251 F252 T253 | I245-K249 HydrophobicContact CG2-CD 4.28Å; I245-K249 WeakPolarHBondContact O-CB 3.33Å; I245-K249 WeakPolarHBondContact O-CG 3.07Å; I245-K249 PolarHBondContact O-N 3.28Å; C246-K249 PolarHBondContact O-N 2.86Å; K249-V251 PolarHBondContact O-N 3.23Å; K249-F252 WeakPolarHBondContact O-CB 3.35Å; K249-F252 PolarHBondContact O-N 3.43Å; K249-T253 PolarHBondContact O-N 3.24Å; K249-T253 PolarHBondContact O-OG1 3.32Å; K249-T253 VanDerWaalsContact O-OG1 3.07Å |
| 250 | R | 81.4 | Confident | 72.6 | Confident | 59 Ų | 59 | 64.8 Ų | 64.8 | 22% | 0.223 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -58.8 | -45.5 | 176.2 | 176.8 | 175.6 | 61.2 | -124.6 | -13.1 | 111.8 | C246 A247 I248 F252 T253 C254 F316 Q318 D321 | C246-R250 PolarHBondContact O-N 2.9Å; A247-R250 PolarHBondContact O-N 3.34Å; I248-R250 VanDerWaalsContact C-N 3.3Å; I248-R250 PolarHBondContact O-N 3.49Å; R250-F252 VanDerWaalsContact C-N 3.28Å; R250-F252 PolarHBondContact O-N 2.85Å; R250-T253 PolarHBondContact O-N 3.22Å; R250-C254 WeakPolarHBondContact O-CB 3.39Å; R250-C254 PolarHBondContact O-N 2.89Å; R250-C254 PolarHBondContact O-SG 2.77Å; R250-C254 VanDerWaalsContact O-SG 3.41Å; R250-F316 PolarHBondContact NH2-O 3.14Å; R250-Q318 VanDerWaalsContact NH1-CD 3.32Å; R250-D321 IonicContact CZ-OD1 2.93Å; R250-D321 IonicContact CZ-OD2 3.64Å; R250-D321 VanDerWaalsContact CZ-OD2 3.28Å; R250-D321 IonicContact NH1-OD1 2.66Å; R250-D321 PolarHBondContact NH1-OD1 3.39Å; R250-D321 IonicContact NH1-OD2 3.04Å; R250-D321 PolarHBondContact NH1-OD2 2.78Å; R250-D321 IonicContact NH2-OD1 3.59Å; R250-D321 IonicContact NH2-OD2 3.65Å; R250-D321 PolarHBondContact NH2-OD2 3.16Å |
| 251 | V | 75.8 | Confident | 69.8 | Low | 40 Ų | 40 | 70 Ų | 70 | 24% | 0.242 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -62.7 | -38.6 | 178.4 | 171.3 | 0 | 0 | 0 | 0 | 111.2 | A247 I248 K249 C254 G255 L315 | A247-V251 PolarHBondContact O-N 2.88Å; I248-V251 PolarHBondContact O-N 2.91Å; I248-V251 VanDerWaalsContact O-N 3.15Å; K249-V251 PolarHBondContact O-N 3.23Å; V251-C254 PolarHBondContact O-N 2.81Å; V251-G255 PolarHBondContact O-N 2.91Å; V251-L315 HydrophobicContact CB-CD1 4.32Å; V251-L315 HydrophobicContact CG2-CD1 3.3Å |
| 252 | F | 71.5 | Confident | 67 | Low | 53 Ų | 53 | 71.2 Ų | 71.2 | 23% | 0.232 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -62.7 | -47.1 | 174.2 | -66.9 | -50.5 | 0 | 0 | 0 | 112.5 | I248 K249 R250 C254 G255 M256 W300 | I248-F252 HydrophobicContact CG2-CD2 3.72Å; I248-F252 HydrophobicContact CG2-CE2 3.12Å; I248-F252 HydrophobicContact CG2-CZ 3.89Å; I248-F252 WeakPolarHBondContact O-CD2 3.3Å; I248-F252 PolarHBondContact O-N 2.91Å; I248-F252 VanDerWaalsContact O-N 3.1Å; K249-F252 WeakPolarHBondContact O-CB 3.35Å; K249-F252 PolarHBondContact O-N 3.43Å; R250-F252 VanDerWaalsContact C-N 3.28Å; R250-F252 PolarHBondContact O-N 2.85Å; F252-C254 PolarHBondContact O-N 2.94Å; F252-G255 PolarHBondContact O-N 3.2Å; F252-M256 WeakPolarHBondContact O-CG 3.31Å; F252-M256 PolarHBondContact O-N 3.27Å; F252-M256 VanDerWaalsContact O-N 3.13Å; F252-W300 HydrophobicContact CD1-CD2 4.27Å; F252-W300 AromaticContact CD1-CE2 3.99Å; F252-W300 HydrophobicContact CD1-CE3 4.37Å; F252-W300 HydrophobicContact CD1-CH2 4.03Å; F252-W300 AromaticContact CD1-CZ2 3.89Å; F252-W300 HydrophobicContact CD1-CZ2 3.89Å; F252-W300 HydrophobicContact CD1-CZ3 4.25Å; F252-W300 HydrophobicContact CE1-CD2 4.29Å; F252-W300 AromaticContact CE1-CE2 3.85Å; F252-W300 HydrophobicContact CE1-CE3 4.15Å; F252-W300 AromaticContact CE1-CH2 3.13Å; F252-W300 HydrophobicContact CE1-CH2 3.13Å; F252-W300 AromaticContact CE1-CZ2 3.28Å; F252-W300 HydrophobicContact CE1-CZ2 3.28Å; F252-W300 AromaticContact CE1-CZ3 3.59Å; F252-W300 HydrophobicContact CE1-CZ3 3.59Å; F252-W300 HydrophobicContact CE2-CZ3 4.49Å; F252-W300 AromaticContact CZ-CH2 3.5Å; F252-W300 HydrophobicContact CZ-CH2 3.5Å; F252-W300 VanDerWaalsContact CZ-CH2 3.5Å; F252-W300 HydrophobicContact CZ-CZ2 4.13Å; F252-W300 AromaticContact CZ-CZ3 3.71Å; F252-W300 HydrophobicContact CZ-CZ3 3.71Å |
| 253 | T | 70.3 | Confident | 64.1 | Low | 67 Ų | 67 | 76.7 Ų | 76.7 | 41% | 0.411 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -65 | -39 | 178.7 | -48.7 | 0 | 0 | 0 | 0 | 112.3 | K249 R250 N257 | K249-T253 PolarHBondContact O-N 3.24Å; K249-T253 PolarHBondContact O-OG1 3.32Å; K249-T253 VanDerWaalsContact O-OG1 3.07Å; R250-T253 PolarHBondContact O-N 3.22Å; T253-N257 PolarHBondContact O-N 3.36Å |
| 254 | C | 63.3 | Low | 61.2 | Low | 77 Ų | 77 | 84 Ų | 84 | 52% | 0.52 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -67.8 | -41.4 | 176.8 | -72.9 | 0 | 0 | 0 | 0 | 112.3 | R250 V251 F252 M256 N257 T258 | R250-C254 WeakPolarHBondContact O-CB 3.39Å; R250-C254 PolarHBondContact O-N 2.89Å; R250-C254 PolarHBondContact O-SG 2.77Å; R250-C254 VanDerWaalsContact O-SG 3.41Å; V251-C254 PolarHBondContact O-N 2.81Å; F252-C254 PolarHBondContact O-N 2.94Å; C254-M256 VanDerWaalsContact C-N 3.34Å; C254-M256 PolarHBondContact O-N 3.48Å; C254-N257 PolarHBondContact O-N 3.19Å; C254-T258 PolarHBondContact O-OG1 3.01Å |
| 255 | G | 57.2 | Low | 58.3 | Low | 37 Ų | 37 | 87 Ų | 87 | 38% | 0.381 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -63 | -39.5 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | V251 F252 N257 T258 S259 | V251-G255 PolarHBondContact O-N 2.91Å; F252-G255 PolarHBondContact O-N 3.2Å; G255-N257 VanDerWaalsContact C-N 3.35Å; G255-N257 PolarHBondContact O-N 3.01Å; G255-T258 PolarHBondContact O-N 3.12Å; G255-T258 PolarHBondContact O-OG1 2.99Å; G255-S259 PolarHBondContact O-OG 3.3Å |
| 256 | M | 49.7 | Very low | 55.5 | Low | 42 Ų | 42 | 92.8 Ų | 92.8 | 21% | 0.207 | 51% | 0.51 | C | S | . | . | H | α-helix | trans | -64.9 | -34.1 | 178.3 | -74.3 | 176 | 161.2 | 0 | 0 | 113.7 | F252 C254 T258 K296 W300 | F252-M256 WeakPolarHBondContact O-CG 3.31Å; F252-M256 PolarHBondContact O-N 3.27Å; F252-M256 VanDerWaalsContact O-N 3.13Å; C254-M256 VanDerWaalsContact C-N 3.34Å; C254-M256 PolarHBondContact O-N 3.48Å; M256-T258 VanDerWaalsContact C-N 3.28Å; M256-T258 PolarHBondContact O-N 3.44Å; M256-K296 HydrophobicContact CE-CB 3.95Å; M256-K296 WeakPolarHBondContact CE-O 3.35Å; M256-K296 HydrophobicContact SD-CB 4.03Å; M256-W300 HydrophobicContact CE-CB 3.53Å; M256-W300 HydrophobicContact CE-CG 4.06Å |
| 257 | N | 50 | Low | 52.9 | Low | 130 Ų | 130 | 97.7 Ų | 97.7 | 70% | 0.695 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -73.1 | -20.7 | -179.9 | -72.8 | -14.9 | 0 | 0 | 0 | 113.1 | T253 C254 G255 | T253-N257 PolarHBondContact O-N 3.36Å; C254-N257 PolarHBondContact O-N 3.19Å; G255-N257 VanDerWaalsContact C-N 3.35Å; G255-N257 PolarHBondContact O-N 3.01Å |
| 258 | T | 48.1 | Very low | 50.3 | Low | 125 Ų | 125 | 102.3 Ų | 102.3 | 77% | 0.767 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -86.9 | -16.4 | 179 | 23.3 | 0 | 0 | 0 | 0 | 114.6 | C254 G255 M256 | C254-T258 PolarHBondContact O-OG1 3.01Å; G255-T258 PolarHBondContact O-N 3.12Å; G255-T258 PolarHBondContact O-OG1 2.99Å; M256-T258 VanDerWaalsContact C-N 3.28Å; M256-T258 PolarHBondContact O-N 3.44Å |
| 259 | S | 42.8 | Very low | 47.7 | Very low | 84 Ų | 84 | 105.9 Ų | 105.9 | 59% | 0.587 | 60% | 0.599 | S | S | * | * | S | Bend | trans | -116 | 13.6 | -171.5 | 61.7 | 0 | 0 | 0 | 0 | 115.4 | G255 | G255-S259 PolarHBondContact O-OG 3.3Š|
| 260 | M | 31.2 | Very low | 45.5 | Very low | 122 Ų | 122 | 107.7 Ų | 107.7 | 60% | 0.601 | 62% | 0.615 | S | S | * | * | trans | -135.2 | 98.5 | 178.4 | -65.9 | -72 | -80.2 | 0 | 0 | 111.7 | F262 | M260-F262 PolarHBondContact O-N 3.04Š| ||
| 261 | P | 29.1 | Very low | 43.1 | Very low | 123 Ų | 123 | 111.8 Ų | 111.8 | 80% | 0.799 | 64% | 0.642 | S | S | * | * | trans | -72.9 | 106.6 | 147.4 | 13.8 | 2.2 | 0 | 0 | 0 | 106.6 | E263 | P261-E263 PolarHBondContact O-N 3.38Š| ||
| 262 | F | 32.5 | Very low | 41 | Very low | 162 Ų | 162 | 118 Ų | 118 | 71% | 0.711 | 67% | 0.671 | S | S | * | * | trans | -75.1 | 81.6 | 171.5 | -167.4 | -96.2 | 0 | 0 | 0 | 108.3 | M260 L264 | M260-F262 PolarHBondContact O-N 3.04Å; F262-L264 HydrophobicContact CD1-CG 4.15Å; F262-L264 HydrophobicContact CE1-CD2 3.68Å; F262-L264 HydrophobicContact CE1-CG 3.73Å; F262-L264 HydrophobicContact CZ-CD2 4.4Å | ||
| 263 | E | 29.5 | Very low | 39 | Very low | 177 Ų | 177 | 121.7 Ų | 121.7 | 83% | 0.827 | 70% | 0.698 | S | S | * | * | trans | -76.6 | 121.6 | 153.8 | -88.3 | -177.5 | 169 | 0 | 0 | 107.4 | P261 A265 | P261-E263 PolarHBondContact O-N 3.38Å; E263-A265 VanDerWaalsContact C-N 3.31Å; E263-A265 PolarHBondContact O-N 3.16Å | ||
| 264 | L | 30.2 | Very low | 37.1 | Very low | 152 Ų | 152 | 124.2 Ų | 124.2 | 80% | 0.796 | 71% | 0.713 | S | S | * | * | trans | -60.2 | 90.5 | 172.8 | -75.1 | 140 | 0 | 0 | 0 | 109 | F262 | F262-L264 HydrophobicContact CD1-CG 4.15Å; F262-L264 HydrophobicContact CE1-CD2 3.68Å; F262-L264 HydrophobicContact CE1-CG 3.73Å; F262-L264 HydrophobicContact CZ-CD2 4.4Å | ||
| 265 | A | 29.3 | Very low | 35.7 | Very low | 94 Ų | 94 | 128.4 Ų | 128.4 | 78% | 0.777 | 73% | 0.73 | S | S | * | * | trans | -85 | 117.3 | 164.2 | 0 | 0 | 0 | 0 | 0 | 108.1 | E263 | E263-A265 VanDerWaalsContact C-N 3.31Å; E263-A265 PolarHBondContact O-N 3.16Å | ||
| 266 | E | 30 | Very low | 34.4 | Very low | 180 Ų | 180 | 131.2 Ų | 131.2 | 84% | 0.841 | 74% | 0.743 | S | S | * | * | trans | -55.9 | 138.9 | 173.9 | -60.6 | -176.3 | 160.8 | 0 | 0 | 110.2 | A268 | E266-A268 PolarHBondContact O-N 3.21Š| ||
| 267 | P | 33.7 | Very low | 33.9 | Very low | 126 Ų | 126 | 137.6 Ų | 137.6 | 82% | 0.818 | 78% | 0.778 | S | S | * | * | trans | -75.8 | 114.7 | 175.2 | 30.8 | -27.7 | 0 | 0 | 0 | 108 | ||||
| 268 | A | 32.4 | Very low | 33 | Very low | 97 Ų | 97 | 139.9 Ų | 139.9 | 80% | 0.802 | 78% | 0.782 | S | S | * | * | trans | -64.1 | 133.9 | 161.4 | 0 | 0 | 0 | 0 | 0 | 108.6 | E266 D270 | E266-A268 PolarHBondContact O-N 3.21Å; A268-D270 PolarHBondContact O-N 3.17Å | ||
| 269 | D | 30.8 | Very low | 32.2 | Very low | 151 Ų | 151 | 141.7 Ų | 141.7 | 81% | 0.807 | 79% | 0.787 | S | S | * | * | trans | -46.3 | 130.4 | 176.5 | -58.3 | -55.5 | 0 | 0 | 0 | 111.5 | ||||
| 270 | D | 37.5 | Very low | 31.9 | Very low | 163 Ų | 163 | 142.4 Ų | 142.4 | 87% | 0.872 | 80% | 0.798 | S | S | * | * | trans | -163.7 | 126 | 141.7 | -92.8 | -26 | 0 | 0 | 0 | 110.3 | A268 | A268-D270 PolarHBondContact O-N 3.17Š| ||
| 271 | D | 30.9 | Very low | 32.1 | Very low | 146 Ų | 146 | 142.4 Ų | 142.4 | 78% | 0.781 | 81% | 0.807 | S | S | * | * | trans | -58.7 | 137.7 | -174.1 | -62.6 | -57.9 | 0 | 0 | 0 | 113.5 | ||||
| 272 | I | 32.2 | Very low | 32.1 | Very low | 169 Ų | 169 | 140.3 Ų | 140.3 | 87% | 0.867 | 80% | 0.8 | S | S | * | * | trans | -160.6 | 122.7 | 136.7 | -89.4 | 137.5 | 0 | 0 | 0 | 109.4 | ||||
| 273 | V | 28.9 | Very low | 32.1 | Very low | 131 Ų | 131 | 136.9 Ų | 136.9 | 79% | 0.794 | 80% | 0.795 | S | S | * | * | trans | -89.6 | 121.6 | -174.6 | 174.5 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 274 | V | 31 | Very low | 32.3 | Very low | 120 Ų | 120 | 133 Ų | 133 | 73% | 0.727 | 78% | 0.78 | S | S | * | * | trans | -149.2 | 105.7 | 155.4 | -172.3 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 275 | L | 33.2 | Very low | 32.7 | Very low | 165 Ų | 165 | 128.1 Ų | 128.1 | 86% | 0.864 | 77% | 0.767 | S | S | * | * | trans | 69.1 | 110.1 | 149.7 | -56.8 | 172.4 | 0 | 0 | 0 | 120.6 | ||||
| 276 | S | 30.5 | Very low | 33.3 | Very low | 96 Ų | 96 | 129.7 Ų | 129.7 | 67% | 0.671 | 76% | 0.762 | S | S | * | * | trans | -91 | 123.2 | 175.6 | 56.4 | 0 | 0 | 0 | 0 | 113 | ||||
| 277 | D | 38.2 | Very low | 33.7 | Very low | 176 Ų | 176 | 125.5 Ų | 125.5 | 94% | 0.941 | 75% | 0.745 | S | S | * | * | trans | -103.1 | 108.6 | 149.3 | -85.3 | -27.6 | 0 | 0 | 0 | 107.3 | ||||
| 278 | K | 31.9 | Very low | 34 | Very low | 178 Ų | 178 | 126.9 Ų | 126.9 | 77% | 0.774 | 73% | 0.734 | S | S | * | * | trans | -89.5 | 143.1 | 171.9 | -68.8 | -176.4 | 177.5 | 179.4 | 0 | 108.4 | ||||
| 279 | D | 30.7 | Very low | 34.9 | Very low | 164 Ų | 164 | 129.3 Ų | 129.3 | 88% | 0.877 | 73% | 0.726 | S | S | * | * | trans | 105.6 | 80.9 | 165.2 | -49.9 | -25.5 | 0 | 0 | 0 | 116.9 | ||||
| 280 | A | 36.7 | Very low | 35.5 | Very low | 98 Ų | 98 | 127.9 Ų | 127.9 | 81% | 0.81 | 72% | 0.718 | S | S | * | * | trans | -153.4 | 139.4 | 148.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 281 | P | 34 | Very low | 36.1 | Very low | 123 Ų | 123 | 124.8 Ų | 124.8 | 80% | 0.799 | 70% | 0.699 | S | S | * | * | trans | -82.1 | 155 | -166.9 | 33.6 | -34.6 | 0 | 0 | 0 | 113.9 | C283 | P281-C283 PolarHBondContact O-N 2.71Š| ||
| 282 | A | 30.3 | Very low | 37.8 | Very low | 79 Ų | 79 | 121.2 Ų | 121.2 | 65% | 0.653 | 68% | 0.682 | S | S | * | * | trans | -48.8 | 116.3 | -171.5 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 283 | C | 32.3 | Very low | 39.5 | Very low | 90 Ų | 90 | 117.4 Ų | 117.4 | 61% | 0.608 | 66% | 0.661 | S | S | * | * | trans | -122.7 | 60.1 | 163.1 | -76.2 | 0 | 0 | 0 | 0 | 109.4 | P281 G285 L287 | P281-C283 PolarHBondContact O-N 2.71Å; C283-G285 PolarHBondContact O-N 2.78Å; C283-L287 HydrophobicContact CB-CD1 3.99Å | ||
| 284 | N | 33.8 | Very low | 41.6 | Very low | 94 Ų | 94 | 116 Ų | 116 | 50% | 0.503 | 65% | 0.648 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -86.6 | 13.3 | -154.7 | -71.8 | -7.8 | 0 | 0 | 0 | 117.6 | ||
| 285 | G | 39.1 | Very low | 43.5 | Very low | 50 Ų | 50 | 114.8 Ų | 114.8 | 52% | 0.515 | 64% | 0.637 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -97.8 | -47.1 | -179 | 0 | 0 | 0 | 0 | 0 | 115.2 | C283 | C283-G285 PolarHBondContact O-N 2.78Š|
| 286 | N | 40.4 | Very low | 45.2 | Very low | 128 Ų | 128 | 111.3 Ų | 111.3 | 68% | 0.684 | 62% | 0.615 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.5 | -29.3 | -172.5 | -71.3 | -17.7 | 0 | 0 | 0 | 113.1 | K289 L290 | N286-K289 PolarHBondContact O-N 3.36Å; N286-L290 PolarHBondContact O-N 3.33Å |
| 287 | L | 38.3 | Very low | 46.9 | Very low | 92 Ų | 92 | 110.6 Ų | 110.6 | 48% | 0.482 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -65.1 | -45.5 | 178.6 | -97.4 | 121 | 0 | 0 | 0 | 112.2 | C283 K289 L290 E291 | C283-L287 HydrophobicContact CB-CD1 3.99Å; L287-K289 VanDerWaalsContact C-N 3.25Å; L287-K289 PolarHBondContact O-N 2.9Å; L287-L290 PolarHBondContact O-N 3.25Å; L287-E291 WeakPolarHBondContact O-CG 3.43Å; L287-E291 PolarHBondContact O-N 2.85Å |
| 288 | R | 41.7 | Very low | 48.5 | Very low | 154 Ų | 154 | 105.7 Ų | 105.7 | 58% | 0.581 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -60.4 | -32 | 178.7 | -67.4 | -177.6 | 175.5 | -177.6 | -3.2 | 113.6 | T292 | R288-T292 VanDerWaalsContact O-CG2 3.31Å; R288-T292 WeakPolarHBondContact O-CG2 3.41Å; R288-T292 PolarHBondContact O-N 3.17Å; R288-T292 PolarHBondContact O-OG1 2.93Å |
| 289 | K | 49.9 | Very low | 50.4 | Low | 148 Ų | 148 | 104.9 Ų | 104.9 | 64% | 0.643 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -74.2 | -33 | 175.4 | -75.2 | -177 | 178.4 | 178 | 0 | 112.6 | N286 L287 T292 E293 | N286-K289 PolarHBondContact O-N 3.36Å; L287-K289 VanDerWaalsContact C-N 3.25Å; L287-K289 PolarHBondContact O-N 2.9Å; K289-T292 WeakPolarHBondContact CA-OG1 2.98Å; K289-T292 PolarHBondContact O-OG1 3.47Å; K289-E293 WeakPolarHBondContact O-CG 3.4Å; K289-E293 PolarHBondContact O-N 3.13Å |
| 290 | L | 44 | Very low | 51.9 | Low | 122 Ų | 122 | 100.1 Ų | 100.1 | 64% | 0.639 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -76.1 | -40.2 | 177.3 | -81.7 | 155.6 | 0 | 0 | 0 | 111.7 | N286 L287 E293 L294 | N286-L290 PolarHBondContact O-N 3.33Å; L287-L290 PolarHBondContact O-N 3.25Å; L290-E293 PolarHBondContact O-N 3.35Å; L290-L294 WeakPolarHBondContact O-CB 3.41Å; L290-L294 PolarHBondContact O-N 3.23Å |
| 291 | E | 50.4 | Low | 53.4 | Low | 98 Ų | 98 | 101.8 Ų | 101.8 | 46% | 0.458 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -58.4 | -48.1 | 174.3 | -73.4 | 165.3 | 174.6 | 0 | 0 | 110.4 | L287 E293 L294 D295 | L287-E291 WeakPolarHBondContact O-CG 3.43Å; L287-E291 PolarHBondContact O-N 2.85Å; E291-E293 PolarHBondContact O-N 2.91Å; E291-L294 PolarHBondContact O-N 3Å; E291-D295 WeakPolarHBondContact O-CB 3.45Å; E291-D295 PolarHBondContact O-N 3.13Å |
| 292 | T | 67.3 | Low | 55.2 | Low | 70 Ų | 70 | 104.2 Ų | 104.2 | 43% | 0.429 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -65 | -34.7 | 178.4 | 48.5 | 0 | 0 | 0 | 0 | 114.1 | R288 K289 K296 | R288-T292 VanDerWaalsContact O-CG2 3.31Å; R288-T292 WeakPolarHBondContact O-CG2 3.41Å; R288-T292 PolarHBondContact O-N 3.17Å; R288-T292 PolarHBondContact O-OG1 2.93Å; K289-T292 WeakPolarHBondContact CA-OG1 2.98Å; K289-T292 PolarHBondContact O-OG1 3.47Å; T292-K296 WeakPolarHBondContact O-CD 3.34Å; T292-K296 WeakPolarHBondContact O-CE 3.43Å; T292-K296 WeakPolarHBondContact O-CG 3.39Å; T292-K296 PolarHBondContact O-N 2.77Å |
| 293 | E | 66.6 | Low | 56.7 | Low | 90 Ų | 90 | 101.9 Ų | 101.9 | 42% | 0.421 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -71.1 | -39.4 | 174.1 | -73 | -67.4 | 120.6 | 0 | 0 | 111.9 | K289 L290 E291 K296 L297 | K289-E293 WeakPolarHBondContact O-CG 3.4Å; K289-E293 PolarHBondContact O-N 3.13Å; L290-E293 PolarHBondContact O-N 3.35Å; E291-E293 PolarHBondContact O-N 2.91Å; E293-K296 IonicContact OE1-NZ 3.51Å; E293-K296 PolarHBondContact OE1-NZ 3.03Å; E293-L297 VanDerWaalsContact O-CG 3.3Å; E293-L297 WeakPolarHBondContact O-CG 3.31Å; E293-L297 PolarHBondContact O-N 3.23Å |
| 294 | L | 73 | Confident | 57.8 | Low | 101 Ų | 101 | 105.5 Ų | 105.5 | 53% | 0.529 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -66.2 | -44 | 177.3 | -173.7 | 73.2 | 0 | 0 | 0 | 111.5 | L290 E291 K296 L297 L298 | L290-L294 WeakPolarHBondContact O-CB 3.41Å; L290-L294 PolarHBondContact O-N 3.23Å; E291-L294 PolarHBondContact O-N 3Å; L294-K296 PolarHBondContact O-N 3.34Å; L294-L297 WeakPolarHBondContact O-CB 3.09Å; L294-L297 PolarHBondContact O-N 3.01Å; L294-L298 HydrophobicContact CD2-CD1 4.37Å; L294-L298 HydrophobicContact CG-CD1 3.99Å; L294-L298 HydrophobicContact CG-CG 4.49Å; L294-L298 WeakPolarHBondContact O-CB 3.49Å; L294-L298 WeakPolarHBondContact O-CG 3.25Å; L294-L298 PolarHBondContact O-N 3.02Å |
| 295 | D | 72.5 | Confident | 58.8 | Low | 94 Ų | 94 | 106 Ų | 106 | 50% | 0.503 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -64.8 | -39.5 | -179.4 | -70.2 | -25.9 | 0 | 0 | 0 | 111.9 | E291 L297 L298 Y299 | E291-D295 WeakPolarHBondContact O-CB 3.45Å; E291-D295 PolarHBondContact O-N 3.13Å; D295-L297 PolarHBondContact O-N 3.5Å; D295-L298 PolarHBondContact O-N 2.67Å; D295-Y299 WeakPolarHBondContact O-CB 3.41Å; D295-Y299 PolarHBondContact O-N 3.46Å |
| 296 | K | 67 | Low | 59.6 | Low | 92 Ų | 92 | 109.8 Ų | 109.8 | 40% | 0.4 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -59.9 | -45.2 | 172.2 | -72.2 | 168.5 | -160.5 | 173 | 0 | 111.6 | M256 T292 E293 L294 Y299 W300 | M256-K296 HydrophobicContact CE-CB 3.95Å; M256-K296 WeakPolarHBondContact CE-O 3.35Å; M256-K296 HydrophobicContact SD-CB 4.03Å; T292-K296 WeakPolarHBondContact O-CD 3.34Å; T292-K296 WeakPolarHBondContact O-CE 3.43Å; T292-K296 WeakPolarHBondContact O-CG 3.39Å; T292-K296 PolarHBondContact O-N 2.77Å; E293-K296 IonicContact OE1-NZ 3.51Å; E293-K296 PolarHBondContact OE1-NZ 3.03Å; L294-K296 PolarHBondContact O-N 3.34Å; K296-Y299 PolarHBondContact O-N 2.99Å; K296-W300 WeakPolarHBondContact O-CB 3.23Å; K296-W300 PolarHBondContact O-N 2.77Å |
| 297 | L | 66.8 | Low | 60.4 | Low | 81 Ų | 81 | 105.9 Ų | 105.9 | 42% | 0.424 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -65.8 | -41 | 178.9 | -71.7 | 171.8 | 0 | 0 | 0 | 111.8 | E293 L294 D295 W300 L301 | E293-L297 VanDerWaalsContact O-CG 3.3Å; E293-L297 WeakPolarHBondContact O-CG 3.31Å; E293-L297 PolarHBondContact O-N 3.23Å; L294-L297 WeakPolarHBondContact O-CB 3.09Å; L294-L297 PolarHBondContact O-N 3.01Å; D295-L297 PolarHBondContact O-N 3.5Å; L297-W300 PolarHBondContact O-N 3.23Å; L297-L301 WeakPolarHBondContact O-CB 3.36Å; L297-L301 WeakPolarHBondContact O-CG 3.36Å; L297-L301 PolarHBondContact O-N 3.44Å |
| 298 | L | 73 | Confident | 61.3 | Low | 74 Ų | 74 | 107.1 Ų | 107.1 | 39% | 0.387 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -66.7 | -41.6 | 177 | -76.7 | 168.7 | 0 | 0 | 0 | 112 | L294 D295 W300 L301 K302 | L294-L298 HydrophobicContact CD2-CD1 4.37Å; L294-L298 HydrophobicContact CG-CD1 3.99Å; L294-L298 HydrophobicContact CG-CG 4.49Å; L294-L298 WeakPolarHBondContact O-CB 3.49Å; L294-L298 WeakPolarHBondContact O-CG 3.25Å; L294-L298 PolarHBondContact O-N 3.02Å; D295-L298 PolarHBondContact O-N 2.67Å; L298-W300 VanDerWaalsContact C-N 3.31Å; L298-W300 PolarHBondContact O-N 3.5Å; L298-L301 PolarHBondContact O-N 2.93Å; L298-K302 WeakPolarHBondContact O-CB 3.37Å; L298-K302 VanDerWaalsContact O-CG 3.28Å; L298-K302 WeakPolarHBondContact O-CG 3.28Å; L298-K302 PolarHBondContact O-N 3.44Å; L298-K302 VanDerWaalsContact O-N 3.07Å |
| 299 | Y | 70.1 | Confident | 62.3 | Low | 161 Ų | 161 | 107.2 Ų | 107.2 | 63% | 0.631 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -60.4 | -43 | 174.4 | 179.4 | -96.6 | 0 | 0 | 0 | 111.2 | D295 K296 K302 S303 | D295-Y299 WeakPolarHBondContact O-CB 3.41Å; D295-Y299 PolarHBondContact O-N 3.46Å; K296-Y299 PolarHBondContact O-N 2.99Å; Y299-K302 PolarHBondContact O-N 3.36Å; Y299-S303 PolarHBondContact O-N 3Å; Y299-S303 PolarHBondContact O-OG 3.4Å |
| 300 | W | 63.9 | Low | 62.8 | Low | 64 Ų | 64 | 106.3 Ų | 106.3 | 24% | 0.242 | 54% | 0.538 | C | S | . | . | H | α-helix | trans | -69.2 | -42.6 | 178.2 | -170.9 | 81.7 | 0 | 0 | 0 | 113 | F252 M256 K296 L297 L298 K302 S303 | F252-W300 HydrophobicContact CD1-CD2 4.27Å; F252-W300 AromaticContact CD1-CE2 3.99Å; F252-W300 HydrophobicContact CD1-CE3 4.37Å; F252-W300 HydrophobicContact CD1-CH2 4.03Å; F252-W300 AromaticContact CD1-CZ2 3.89Å; F252-W300 HydrophobicContact CD1-CZ2 3.89Å; F252-W300 HydrophobicContact CD1-CZ3 4.25Å; F252-W300 HydrophobicContact CE1-CD2 4.29Å; F252-W300 AromaticContact CE1-CE2 3.85Å; F252-W300 HydrophobicContact CE1-CE3 4.15Å; F252-W300 AromaticContact CE1-CH2 3.13Å; F252-W300 HydrophobicContact CE1-CH2 3.13Å; F252-W300 AromaticContact CE1-CZ2 3.28Å; F252-W300 HydrophobicContact CE1-CZ2 3.28Å; F252-W300 AromaticContact CE1-CZ3 3.59Å; F252-W300 HydrophobicContact CE1-CZ3 3.59Å; F252-W300 HydrophobicContact CE2-CZ3 4.49Å; F252-W300 AromaticContact CZ-CH2 3.5Å; F252-W300 HydrophobicContact CZ-CH2 3.5Å; F252-W300 VanDerWaalsContact CZ-CH2 3.5Å; F252-W300 HydrophobicContact CZ-CZ2 4.13Å; F252-W300 AromaticContact CZ-CZ3 3.71Å; F252-W300 HydrophobicContact CZ-CZ3 3.71Å; M256-W300 HydrophobicContact CE-CB 3.53Å; M256-W300 HydrophobicContact CE-CG 4.06Å; K296-W300 WeakPolarHBondContact O-CB 3.23Å; K296-W300 PolarHBondContact O-N 2.77Å; L297-W300 PolarHBondContact O-N 3.23Å; L298-W300 VanDerWaalsContact C-N 3.31Å; L298-W300 PolarHBondContact O-N 3.5Å; W300-K302 PolarHBondContact O-N 3.29Å; W300-S303 VanDerWaalsContact CA-OG 3.27Å; W300-S303 WeakPolarHBondContact CA-OG 3.48Å; W300-S303 PolarHBondContact O-N 2.92Å; W300-S303 VanDerWaalsContact O-N 3.1Å; W300-S303 PolarHBondContact O-OG 3.42Å; W300-S303 VanDerWaalsContact O-OG 3.13Å |
| 301 | L | 67 | Low | 63.6 | Low | 132 Ų | 132 | 103.4 Ų | 103.4 | 69% | 0.691 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -61.6 | -27.7 | 174.7 | -84.4 | 162.4 | 0 | 0 | 0 | 113.2 | L297 L298 | L297-L301 WeakPolarHBondContact O-CB 3.36Å; L297-L301 WeakPolarHBondContact O-CG 3.36Å; L297-L301 PolarHBondContact O-N 3.44Å; L298-L301 PolarHBondContact O-N 2.93Å |
| 302 | K | 71.9 | Confident | 64.2 | Low | 175 Ų | 175 | 102.6 Ų | 102.6 | 76% | 0.761 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -87.3 | -15.7 | 176.8 | -73.3 | 177.8 | 178.9 | -178.6 | 0 | 113.5 | L298 Y299 W300 | L298-K302 WeakPolarHBondContact O-CB 3.37Å; L298-K302 VanDerWaalsContact O-CG 3.28Å; L298-K302 WeakPolarHBondContact O-CG 3.28Å; L298-K302 PolarHBondContact O-N 3.44Å; L298-K302 VanDerWaalsContact O-N 3.07Å; Y299-K302 PolarHBondContact O-N 3.36Å; W300-K302 PolarHBondContact O-N 3.29Å |
| 303 | S | 61.5 | Low | 64.1 | Low | 30 Ų | 30 | 104.1 Ų | 104.1 | 21% | 0.21 | 53% | 0.532 | C | S | . | . | S | Bend | trans | -96.5 | 131.2 | 178.8 | 39.3 | 0 | 0 | 0 | 0 | 110 | Y299 W300 L305 | Y299-S303 PolarHBondContact O-N 3Å; Y299-S303 PolarHBondContact O-OG 3.4Å; W300-S303 VanDerWaalsContact CA-OG 3.27Å; W300-S303 WeakPolarHBondContact CA-OG 3.48Å; W300-S303 PolarHBondContact O-N 2.92Å; W300-S303 VanDerWaalsContact O-N 3.1Å; W300-S303 PolarHBondContact O-OG 3.42Å; W300-S303 VanDerWaalsContact O-OG 3.13Å; S303-L305 PolarHBondContact O-N 3.08Å |
| 304 | D | 55 | Low | 64.2 | Low | 166 Ų | 166 | 102.2 Ų | 102.2 | 89% | 0.888 | 54% | 0.537 | S | S | * | . | trans | -70.8 | 33.9 | 177.6 | -72.1 | -40 | 0 | 0 | 0 | 113 | V306 | D304-V306 PolarHBondContact O-N 3.29Š| ||
| 305 | L | 55.5 | Low | 64.3 | Low | 104 Ų | 104 | 99.7 Ų | 99.7 | 55% | 0.545 | 52% | 0.523 | S | S | . | . | trans | -68.7 | 96.7 | -178.3 | -75 | 165.9 | 0 | 0 | 0 | 109.9 | S303 C307 | S303-L305 PolarHBondContact O-N 3.08Å; L305-C307 PolarHBondContact O-N 3.17Å | ||
| 306 | V | 56.1 | Low | 64.8 | Low | 129 Ų | 129 | 99.4 Ų | 99.4 | 78% | 0.782 | 52% | 0.518 | S | S | * | . | P | Polyproline II helix | trans | -60.5 | 119.4 | 168.5 | -176.2 | 0 | 0 | 0 | 0 | 108.1 | D304 N308 | D304-V306 PolarHBondContact O-N 3.29Å; V306-N308 PolarHBondContact O-N 3.11Å |
| 307 | C | 56.9 | Low | 65.6 | Low | 47 Ų | 47 | 95.5 Ų | 95.5 | 32% | 0.318 | 50% | 0.502 | S | S | . | . | P | Polyproline II helix | trans | -58.6 | 122.7 | 174.1 | -75.7 | 0 | 0 | 0 | 0 | 109.8 | L305 Q309 L312 | L305-C307 PolarHBondContact O-N 3.17Å; C307-Q309 PolarHBondContact O-N 3.32Å; C307-L312 HydrophobicContact CB-CD1 4.28Å; C307-L312 HydrophobicContact CB-CD2 4.34Å; C307-L312 HydrophobicContact CB-CG 4.24Å |
| 308 | N | 58.2 | Low | 66.5 | Low | 117 Ų | 117 | 95.5 Ų | 95.5 | 63% | 0.626 | 50% | 0.499 | S | S | * | . | P | Polyproline II helix | trans | -52.7 | 132.9 | 174.2 | -73.2 | -12.9 | 0 | 0 | 0 | 110.2 | V306 D310 S311 L312 | V306-N308 PolarHBondContact O-N 3.11Å; N308-D310 PolarHBondContact O-N 3.46Å; N308-D310 VanDerWaalsContact O-N 3.11Å; N308-S311 WeakPolarHBondContact O-CB 3.27Å; N308-S311 PolarHBondContact O-N 2.97Å; N308-L312 PolarHBondContact O-N 2.7Å |
| 309 | Q | 61.1 | Low | 67.1 | Low | 156 Ų | 156 | 93.6 Ų | 93.6 | 73% | 0.729 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -57.3 | -28.5 | -177.8 | -71.2 | -175.2 | -7.7 | 0 | 0 | 112.6 | C307 L312 N313 | C307-Q309 PolarHBondContact O-N 3.32Å; Q309-L312 PolarHBondContact O-N 3.28Å; Q309-N313 VanDerWaalsContact O-CG 3.3Å; Q309-N313 PolarHBondContact O-N 3.48Å; Q309-N313 PolarHBondContact O-ND2 2.93Å |
| 310 | D | 60.5 | Low | 67.9 | Low | 130 Ų | 130 | 88.5 Ų | 88.5 | 70% | 0.695 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -65.4 | -40 | 176.8 | -62.5 | -33.8 | 0 | 0 | 0 | 112.6 | N308 L312 N313 G314 | N308-D310 PolarHBondContact O-N 3.46Å; N308-D310 VanDerWaalsContact O-N 3.11Å; D310-L312 VanDerWaalsContact C-N 3.28Å; D310-L312 PolarHBondContact O-N 3.41Å; D310-N313 PolarHBondContact O-N 3.34Å; D310-G314 PolarHBondContact O-N 3.42Å |
| 311 | S | 60.5 | Low | 69.1 | Low | 61 Ų | 61 | 85.9 Ų | 85.9 | 43% | 0.427 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -66.7 | -32.2 | 175.8 | -56.2 | 0 | 0 | 0 | 0 | 111.8 | N308 L315 | N308-S311 WeakPolarHBondContact O-CB 3.27Å; N308-S311 PolarHBondContact O-N 2.97Å; S311-L315 PolarHBondContact O-N 2.85Å |
| 312 | L | 64.9 | Low | 70.1 | Confident | 81 Ų | 81 | 79.6 Ų | 79.6 | 42% | 0.424 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -75.4 | -31.2 | 175.6 | -65.8 | 173.3 | 0 | 0 | 0 | 112.5 | C307 N308 Q309 D310 G314 L315 | C307-L312 HydrophobicContact CB-CD1 4.28Å; C307-L312 HydrophobicContact CB-CD2 4.34Å; C307-L312 HydrophobicContact CB-CG 4.24Å; N308-L312 PolarHBondContact O-N 2.7Å; Q309-L312 PolarHBondContact O-N 3.28Å; D310-L312 VanDerWaalsContact C-N 3.28Å; D310-L312 PolarHBondContact O-N 3.41Å; L312-G314 VanDerWaalsContact C-N 3.34Å; L312-L315 PolarHBondContact O-N 3.46Å |
| 313 | N | 64.4 | Low | 70.9 | Confident | 102 Ų | 102 | 74.1 Ų | 74.1 | 55% | 0.545 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -70.9 | -31 | 176 | -74.8 | -25.5 | 0 | 0 | 0 | 112.3 | Q309 D310 | Q309-N313 VanDerWaalsContact O-CG 3.3Å; Q309-N313 PolarHBondContact O-N 3.48Å; Q309-N313 PolarHBondContact O-ND2 2.93Å; D310-N313 PolarHBondContact O-N 3.34Å |
| 314 | G | 68 | Low | 72.2 | Confident | 50 Ų | 50 | 75.5 Ų | 75.5 | 52% | 0.515 | 42% | 0.424 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.8 | -0.5 | 173.9 | 0 | 0 | 0 | 0 | 0 | 115.8 | D310 L312 F316 | D310-G314 PolarHBondContact O-N 3.42Å; L312-G314 VanDerWaalsContact C-N 3.34Å; G314-F316 WeakPolarHBondContact O-CD2 3.43Å; G314-F316 PolarHBondContact O-N 2.91Å; G314-F316 VanDerWaalsContact O-N 3.09Å |
| 315 | L | 75.1 | Confident | 73.9 | Confident | 47 Ų | 47 | 67.6 Ų | 67.6 | 25% | 0.246 | 38% | 0.382 | C | S | . | . | trans | -74.3 | 102.6 | -179.2 | -177.9 | 75 | 0 | 0 | 0 | 110.7 | A247 V251 S311 L312 | A247-L315 HydrophobicContact CB-CD1 4.35Å; V251-L315 HydrophobicContact CB-CD1 4.32Å; V251-L315 HydrophobicContact CG2-CD1 3.3Å; S311-L315 PolarHBondContact O-N 2.85Å; L312-L315 PolarHBondContact O-N 3.46Å | ||
| 316 | F | 83.5 | Confident | 75.3 | Confident | 89 Ų | 89 | 64.3 Ų | 64.3 | 39% | 0.39 | 37% | 0.365 | S | S | . | . | trans | -117.9 | 140.3 | 168.4 | -59.4 | -82.3 | 0 | 0 | 0 | 109.8 | K214 L215 R250 G314 | K214-F316 HydrophobicContact CB-CD1 3.97Å; K214-F316 HydrophobicContact CB-CE1 4.28Å; K214-F316 WeakPolarHBondContact O-CA 3.29Å; L215-F316 WeakPolarHBondContact O-CD1 3.42Å; R250-F316 PolarHBondContact NH2-O 3.14Å; G314-F316 WeakPolarHBondContact O-CD2 3.43Å; G314-F316 PolarHBondContact O-N 2.91Å; G314-F316 VanDerWaalsContact O-N 3.09Å | ||
| 317 | V | 84.6 | Confident | 76.8 | Confident | 10 Ų | 10 | 66.4 Ų | 66.4 | 6% | 0.061 | 36% | 0.363 | C | S | . | . | B | Isolated β-bridge | trans | -77.2 | 123.3 | 169.8 | -173.8 | 0 | 0 | 0 | 0 | 108.1 | K214 L215 E216 A243 A247 D321 F322 | K214-V317 PolarHBondContact O-N 3.05Å; L215-V317 HydrophobicContact CD2-CB 4.17Å; E216-V317 PolarHBondContact N-O 3.06Å; A243-V317 HydrophobicContact CB-CG1 4.08Å; A247-V317 HydrophobicContact CB-CB 4.47Å; A247-V317 HydrophobicContact CB-CG1 4.49Å; A247-V317 HydrophobicContact CB-CG2 4.04Å; V317-D321 HydrophobicContact CG1-CB 4.04Å; V317-F322 HydrophobicContact CG1-CD2 4.18Å; V317-F322 HydrophobicContact CG1-CE2 3.54Å; V317-F322 HydrophobicContact CG1-CZ 4.14Å |
| 318 | Q | 85.5 | Confident | 78.2 | Confident | 80 Ų | 80 | 71 Ų | 71 | 37% | 0.374 | 38% | 0.38 | S | S | . | . | trans | -96.5 | 163.7 | -178.3 | -66.1 | 179.8 | -8.7 | 0 | 0 | 110.8 | R250 A320 D321 F322 | R250-Q318 VanDerWaalsContact NH1-CD 3.32Å; Q318-A320 VanDerWaalsContact C-N 3.28Å; Q318-A320 PolarHBondContact O-N 2.98Å; Q318-D321 PolarHBondContact N-OD2 2.95Å; Q318-D321 WeakPolarHBondContact O-CB 3.22Å; Q318-D321 PolarHBondContact O-N 3.32Å; Q318-D321 VanDerWaalsContact O-N 3.17Å; Q318-F322 WeakPolarHBondContact O-CD2 3.47Å | ||
| 319 | M | 84.6 | Confident | 79.5 | Confident | 35 Ų | 35 | 66.3 Ų | 66.3 | 17% | 0.172 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -61.7 | -35.6 | 176.8 | -161.6 | 67.3 | 163.2 | 0 | 0 | 113 | F219 H223 L224 D321 F322 D323 | F219-M319 HydrophobicContact CD2-SD 4.04Å; F219-M319 HydrophobicContact CE2-SD 3.43Å; F219-M319 WeakPolarHBondContact CE2-SD 3.23Å; F219-M319 HydrophobicContact CZ-SD 3.78Å; H223-M319 HydrophobicContact CB-CE 3.65Å; H223-M319 VanDerWaalsContact CD2-CE 3.47Å; H223-M319 WeakPolarHBondContact CD2-CE 3.47Å; L224-M319 HydrophobicContact CB-CE 3.91Å; M319-D321 PolarHBondContact O-N 3.17Å; M319-F322 WeakPolarHBondContact O-CA 3.24Å; M319-F322 WeakPolarHBondContact O-CB 3.31Å; M319-F322 PolarHBondContact O-N 2.99Å; M319-D323 PolarHBondContact O-N 3.27Å; M319-D323 VanDerWaalsContact O-N 3.12Å |
| 320 | A | 87.2 | Confident | 80.4 | Confident | 53 Ų | 53 | 63.3 Ų | 63.3 | 44% | 0.438 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -61.4 | -28.8 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113 | Q318 F322 D323 T324 | Q318-A320 VanDerWaalsContact C-N 3.28Å; Q318-A320 PolarHBondContact O-N 2.98Å; A320-F322 VanDerWaalsContact C-N 3.3Å; A320-F322 PolarHBondContact O-N 3.29Å; A320-D323 PolarHBondContact O-N 2.95Å; A320-T324 PolarHBondContact O-N 3.36Å; A320-T324 VanDerWaalsContact O-N 3.09Å; A320-T324 PolarHBondContact O-OG1 3.12Å; A320-T324 VanDerWaalsContact O-OG1 3.13Å |
| 321 | D | 89.6 | Confident | 81.2 | Confident | 9 Ų | 9 | 58.1 Ų | 58.1 | 5% | 0.048 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -66.8 | -35.4 | 174.7 | -57.9 | -36.9 | 0 | 0 | 0 | 110.8 | A243 C246 R250 V317 Q318 M319 T324 A325 | A243-D321 HydrophobicContact CB-CB 4.29Å; C246-D321 HydrophobicContact CB-CB 4.01Å; R250-D321 IonicContact CZ-OD1 2.93Å; R250-D321 IonicContact CZ-OD2 3.64Å; R250-D321 VanDerWaalsContact CZ-OD2 3.28Å; R250-D321 IonicContact NH1-OD1 2.66Å; R250-D321 PolarHBondContact NH1-OD1 3.39Å; R250-D321 IonicContact NH1-OD2 3.04Å; R250-D321 PolarHBondContact NH1-OD2 2.78Å; R250-D321 IonicContact NH2-OD1 3.59Å; R250-D321 IonicContact NH2-OD2 3.65Å; R250-D321 PolarHBondContact NH2-OD2 3.16Å; V317-D321 HydrophobicContact CG1-CB 4.04Å; Q318-D321 PolarHBondContact N-OD2 2.95Å; Q318-D321 WeakPolarHBondContact O-CB 3.22Å; Q318-D321 PolarHBondContact O-N 3.32Å; Q318-D321 VanDerWaalsContact O-N 3.17Å; M319-D321 PolarHBondContact O-N 3.17Å; D321-T324 WeakPolarHBondContact CA-OG1 3.34Å; D321-T324 PolarHBondContact O-OG1 3.3Å; D321-A325 VanDerWaalsContact O-CB 3.22Å; D321-A325 WeakPolarHBondContact O-CB 3.49Å; D321-A325 PolarHBondContact O-N 3.48Å |
| 322 | F | 87.6 | Confident | 81.7 | Confident | 1 Ų | 1 | 56.3 Ų | 56.3 | 0% | 0.004 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -71.6 | -40.1 | 174.4 | -72.1 | -85.5 | 0 | 0 | 0 | 112.2 | L215 F219 L224 L239 I240 A243 V317 Q318 M319 A320 T324 A325 L326 | L215-F322 HydrophobicContact CD2-CE2 4.36Å; F219-F322 HydrophobicContact CD2-CE2 4.47Å; F219-F322 AromaticContact CE2-CD2 3.46Å; F219-F322 HydrophobicContact CE2-CD2 3.46Å; F219-F322 VanDerWaalsContact CE2-CD2 3.46Å; F219-F322 AromaticContact CE2-CE2 3.33Å; F219-F322 HydrophobicContact CE2-CE2 3.33Å; F219-F322 HydrophobicContact CE2-CG 4.48Å; F219-F322 HydrophobicContact CE2-CZ 4.27Å; F219-F322 AromaticContact CZ-CD2 3.61Å; F219-F322 HydrophobicContact CZ-CD2 3.61Å; F219-F322 AromaticContact CZ-CE2 3.36Å; F219-F322 HydrophobicContact CZ-CE2 3.36Å; F219-F322 HydrophobicContact CZ-CG 4.3Å; F219-F322 AromaticContact CZ-CZ 3.88Å; F219-F322 HydrophobicContact CZ-CZ 3.88Å; L224-F322 HydrophobicContact CD1-CB 3.8Å; L224-F322 HydrophobicContact CD1-CD1 3.99Å; L224-F322 HydrophobicContact CD1-CG 4.1Å; L224-F322 HydrophobicContact CD2-CD1 3.63Å; L224-F322 HydrophobicContact CD2-CE1 3.83Å; L224-F322 HydrophobicContact CD2-CG 4.1Å; L224-F322 HydrophobicContact CD2-CZ 4.44Å; L239-F322 HydrophobicContact CD2-CD1 4.43Å; L239-F322 HydrophobicContact CG-CD1 4.25Å; I240-F322 HydrophobicContact CG1-CE1 4.14Å; A243-F322 HydrophobicContact CB-CD1 3.69Å; A243-F322 HydrophobicContact CB-CD2 4.16Å; A243-F322 HydrophobicContact CB-CE1 3.67Å; A243-F322 HydrophobicContact CB-CE2 4.14Å; A243-F322 HydrophobicContact CB-CG 3.96Å; A243-F322 HydrophobicContact CB-CZ 3.91Å; V317-F322 HydrophobicContact CG1-CD2 4.18Å; V317-F322 HydrophobicContact CG1-CE2 3.54Å; V317-F322 HydrophobicContact CG1-CZ 4.14Å; Q318-F322 WeakPolarHBondContact O-CD2 3.47Å; M319-F322 WeakPolarHBondContact O-CA 3.24Å; M319-F322 WeakPolarHBondContact O-CB 3.31Å; M319-F322 PolarHBondContact O-N 2.99Å; A320-F322 VanDerWaalsContact C-N 3.3Å; A320-F322 PolarHBondContact O-N 3.29Å; F322-T324 VanDerWaalsContact C-N 3.27Å; F322-T324 PolarHBondContact O-N 3.44Å; F322-A325 PolarHBondContact O-N 3.46Å; F322-L326 WeakPolarHBondContact O-CB 3.34Å; F322-L326 VanDerWaalsContact O-CG 3.25Å; F322-L326 WeakPolarHBondContact O-CG 3.4Å; F322-L326 PolarHBondContact O-N 3.44Å |
| 323 | D | 88.1 | Confident | 81.9 | Confident | 60 Ų | 60 | 52.5 Ų | 52.5 | 32% | 0.321 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -63.3 | -33.8 | 177.5 | -70.4 | -41.8 | 0 | 0 | 0 | 112.4 | Q227 M319 A320 | Q227-D323 PolarHBondContact NE2-OD1 3.49Å; Q227-D323 PolarHBondContact OE1-OD1 3.05Å; M319-D323 PolarHBondContact O-N 3.27Å; M319-D323 VanDerWaalsContact O-N 3.12Å; A320-D323 PolarHBondContact O-N 2.95Å |
| 324 | T | 89.4 | Confident | 82.1 | Confident | 59 Ų | 59 | 54.5 Ų | 54.5 | 36% | 0.362 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -74 | -44 | 172.6 | 51.8 | 0 | 0 | 0 | 0 | 111.7 | A320 D321 F322 L326 K327 H328 | A320-T324 PolarHBondContact O-N 3.36Å; A320-T324 VanDerWaalsContact O-N 3.09Å; A320-T324 PolarHBondContact O-OG1 3.12Å; A320-T324 VanDerWaalsContact O-OG1 3.13Å; D321-T324 WeakPolarHBondContact CA-OG1 3.34Å; D321-T324 PolarHBondContact O-OG1 3.3Å; F322-T324 VanDerWaalsContact C-N 3.27Å; F322-T324 PolarHBondContact O-N 3.44Å; T324-L326 VanDerWaalsContact C-N 3.32Å; T324-L326 PolarHBondContact O-N 3.34Å; T324-K327 WeakPolarHBondContact O-CB 3.43Å; T324-K327 PolarHBondContact O-N 2.9Å; T324-H328 PolarHBondContact O-CD2 3.24Å |
| 325 | A | 90.3 | Very high | 82.1 | Confident | 0 Ų | 0 | 59.7 Ų | 59.7 | 0% | 0 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -61 | -37.5 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | L239 E242 A243 D321 F322 K327 H328 V329 | L239-A325 HydrophobicContact CD1-CB 3.81Å; E242-A325 HydrophobicContact CB-CB 3.71Å; A243-A325 HydrophobicContact CB-CB 4.21Å; D321-A325 VanDerWaalsContact O-CB 3.22Å; D321-A325 WeakPolarHBondContact O-CB 3.49Å; D321-A325 PolarHBondContact O-N 3.48Å; F322-A325 PolarHBondContact O-N 3.46Å; A325-K327 PolarHBondContact O-N 3.12Å; A325-H328 PolarHBondContact O-N 3.11Å; A325-V329 PolarHBondContact O-N 2.98Å |
| 326 | L | 86.2 | Confident | 81.5 | Confident | 35 Ų | 35 | 60.6 Ų | 60.6 | 18% | 0.183 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -59.4 | -27.6 | 177.8 | -80.5 | 171.2 | 0 | 0 | 0 | 113.1 | L224 Q227 F231 L239 F322 T324 H328 | L224-L326 HydrophobicContact CD1-CD1 4.22Å; Q227-L326 HydrophobicContact CB-CD1 3.72Å; Q227-L326 HydrophobicContact CG-CD1 4.37Å; F231-L326 HydrophobicContact CE1-CD2 4.48Å; F231-L326 HydrophobicContact CZ-CD2 3.95Å; L239-L326 HydrophobicContact CD1-CB 4.5Å; L239-L326 HydrophobicContact CD1-CD2 3.73Å; L239-L326 HydrophobicContact CD1-CG 3.9Å; L239-L326 HydrophobicContact CD2-CD2 3.85Å; L239-L326 HydrophobicContact CD2-CG 4.48Å; L239-L326 HydrophobicContact CG-CD2 4.47Å; F322-L326 WeakPolarHBondContact O-CB 3.34Å; F322-L326 VanDerWaalsContact O-CG 3.25Å; F322-L326 WeakPolarHBondContact O-CG 3.4Å; F322-L326 PolarHBondContact O-N 3.44Å; T324-L326 VanDerWaalsContact C-N 3.32Å; T324-L326 PolarHBondContact O-N 3.34Å; L326-H328 VanDerWaalsContact C-N 3.3Å |
| 327 | K | 87.1 | Confident | 80.6 | Confident | 173 Ų | 173 | 58.2 Ų | 58.2 | 75% | 0.752 | 29% | 0.293 | S | S | * | . | H | α-helix | trans | -73.5 | -24.1 | 176.3 | -62.4 | 176.2 | -174.9 | 176.4 | 0 | 112.6 | T324 A325 | T324-K327 WeakPolarHBondContact O-CB 3.43Å; T324-K327 PolarHBondContact O-N 2.9Å; A325-K327 PolarHBondContact O-N 3.12Å |
| 328 | H | 86.7 | Confident | 79.6 | Confident | 144 Ų | 144 | 58.9 Ų | 58.9 | 67% | 0.667 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -97.8 | -28.3 | -178.1 | -64.9 | -64.2 | 0 | 0 | 0 | 113.1 | T324 A325 L326 | T324-H328 PolarHBondContact O-CD2 3.24Å; A325-H328 PolarHBondContact O-N 3.11Å; L326-H328 VanDerWaalsContact C-N 3.3Å |
| 329 | V | 85.1 | Confident | 78.5 | Confident | 17 Ų | 17 | 55.1 Ų | 55.1 | 10% | 0.103 | 28% | 0.278 | C | S | . | . | trans | -93.9 | 108.5 | -177.2 | -177.5 | 0 | 0 | 0 | 0 | 111.6 | F231 A238 L239 E242 A325 | F231-V329 HydrophobicContact CE1-CG1 4.01Å; A238-V329 HydrophobicContact CB-CG1 4.44Å; L239-V329 HydrophobicContact CD1-CB 4.29Å; L239-V329 HydrophobicContact CD1-CG2 4.3Å; E242-V329 HydrophobicContact CB-CG2 4.09Å; E242-V329 HydrophobicContact CG-CG2 3.56Å; A325-V329 PolarHBondContact O-N 2.98Å | ||
| 330 | Q | 80 | Confident | 77.7 | Confident | 93 Ų | 93 | 56.1 Ų | 56.1 | 44% | 0.435 | 29% | 0.286 | S | S | . | . | trans | -83.1 | 128.7 | 172.2 | -172.4 | -177.3 | 5.2 | 0 | 0 | 111.3 | K334 R335 | Q330-K334 HydrophobicContact CG-CB 4.49Å; Q330-K334 HydrophobicContact CG-CD 4.48Å; Q330-R335 HydrophobicContact CG-CG 4.48Å; Q330-R335 PolarHBondContact O-NH2 3.17Å | ||
| 331 | P | 76 | Confident | 76.9 | Confident | 21 Ų | 21 | 55.1 Ų | 55.1 | 14% | 0.136 | 27% | 0.274 | C | S | . | . | trans | -63.5 | 141 | 178.3 | 24.8 | -33 | 0 | 0 | 0 | 111.8 | F231 A333 K334 | F231-P331 HydrophobicContact CD2-CB 3.84Å; F231-P331 HydrophobicContact CD2-CG 4.48Å; F231-P331 HydrophobicContact CE2-CB 3.85Å; F231-P331 HydrophobicContact CE2-CG 4.08Å; F231-P331 HydrophobicContact CG-CB 4.24Å; F231-P331 HydrophobicContact CZ-CB 4.24Å; F231-P331 HydrophobicContact CZ-CG 4.49Å; P331-A333 PolarHBondContact O-N 3.37Å; P331-K334 HydrophobicContact CG-CB 4.02Å; P331-K334 PolarHBondContact O-N 3.24Å; P331-K334 VanDerWaalsContact O-N 3.1Å | ||
| 332 | S | 72.3 | Confident | 76.2 | Confident | 24 Ų | 24 | 55.2 Ų | 55.2 | 17% | 0.168 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -62.3 | -30.3 | 178.5 | -71.9 | 0 | 0 | 0 | 0 | 112 | D235 K334 R335 E336 | D235-S332 WeakPolarHBondContact OD1-CB 3.27Å; D235-S332 PolarHBondContact OD1-N 3.36Å; D235-S332 PolarHBondContact OD1-OG 2.94Å; D235-S332 VanDerWaalsContact OD2-CB 3.29Å; D235-S332 WeakPolarHBondContact OD2-CB 3.12Å; D235-S332 PolarHBondContact OD2-N 3.34Å; D235-S332 PolarHBondContact OD2-OG 3.25Å; S332-K334 VanDerWaalsContact C-N 3.27Å; S332-K334 PolarHBondContact O-N 3.36Å; S332-R335 PolarHBondContact O-N 3.26Å; S332-E336 PolarHBondContact O-N 2.84Å |
| 333 | A | 67.8 | Low | 75.8 | Confident | 0 Ų | 0 | 62.2 Ų | 62.2 | 0% | 0 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -56.8 | -41 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | M175 G230 P331 G337 F338 | M175-A333 HydrophobicContact SD-CB 3.71Å; G230-A333 WeakPolarHBondContact O-CB 3.46Å; P331-A333 PolarHBondContact O-N 3.37Å; A333-G337 PolarHBondContact O-N 2.76Å; A333-F338 HydrophobicContact CB-CB 3.94Å; A333-F338 PolarHBondContact O-N 2.93Å |
| 334 | K | 68.7 | Low | 75.5 | Confident | 144 Ų | 144 | 60.7 Ų | 60.7 | 63% | 0.626 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -71.7 | -31.3 | -179.9 | -168.6 | 173.6 | -177.7 | 177.6 | 0 | 112.4 | Q330 P331 S332 | Q330-K334 HydrophobicContact CG-CB 4.49Å; Q330-K334 HydrophobicContact CG-CD 4.48Å; P331-K334 HydrophobicContact CG-CB 4.02Å; P331-K334 PolarHBondContact O-N 3.24Å; P331-K334 VanDerWaalsContact O-N 3.1Å; S332-K334 VanDerWaalsContact C-N 3.27Å; S332-K334 PolarHBondContact O-N 3.36Å |
| 335 | R | 68.1 | Low | 75.2 | Confident | 159 Ų | 159 | 60.4 Ų | 60.4 | 60% | 0.6 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -69.9 | -38 | 177.7 | -65.9 | -173 | -142.1 | 177.7 | 6.4 | 112.4 | Q330 S332 | Q330-R335 HydrophobicContact CG-CG 4.48Å; Q330-R335 PolarHBondContact O-NH2 3.17Å; S332-R335 PolarHBondContact O-N 3.26Å |
| 336 | E | 64 | Low | 74.9 | Confident | 67 Ų | 67 | 62 Ų | 62 | 31% | 0.313 | 31% | 0.31 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.2 | 5.2 | -176.2 | -70.6 | -72.2 | 162.8 | 0 | 0 | 113 | P50 S332 F338 R446 | P50-E336 HydrophobicContact CG-CG 4.47Å; S332-E336 PolarHBondContact O-N 2.84Å; E336-F338 VanDerWaalsContact C-N 3.27Å; E336-F338 HydrophobicContact CB-CD2 3.36Å; E336-F338 HydrophobicContact CB-CE2 3.36Å; E336-F338 HydrophobicContact CG-CD2 4.34Å; E336-F338 HydrophobicContact CG-CE2 4.01Å; E336-F338 PolarHBondContact O-N 2.9Å; E336-R446 PolarHBondContact O-NE 3.36Å; E336-R446 PolarHBondContact O-NH1 3.14Å; E336-R446 VanDerWaalsContact O-NH1 3.11Å; E336-R446 PolarHBondContact O-NH2 3.48Å |
| 337 | G | 64.2 | Low | 74.8 | Confident | 38 Ų | 38 | 64.8 Ų | 64.8 | 39% | 0.392 | 33% | 0.333 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 63.5 | 30.7 | -177.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | A333 | A333-G337 PolarHBondContact O-N 2.76Š|
| 338 | F | 62.4 | Low | 74.7 | Confident | 24 Ų | 24 | 59.6 Ų | 59.6 | 11% | 0.105 | 31% | 0.313 | C | S | . | . | trans | -76 | 158.6 | 170.8 | -74.3 | -75.7 | 0 | 0 | 0 | 111.3 | P49 M175 A333 E336 R446 | P49-F338 HydrophobicContact CB-CE2 3.95Å; P49-F338 HydrophobicContact CB-CZ 3.93Å; P49-F338 HydrophobicContact CG-CE1 4.29Å; P49-F338 HydrophobicContact CG-CZ 4.15Å; M175-F338 HydrophobicContact CE-CB 3.7Å; M175-F338 HydrophobicContact CE-CG 4.37Å; M175-F338 HydrophobicContact SD-CB 4.01Å; M175-F338 HydrophobicContact SD-CG 4.41Å; A333-F338 HydrophobicContact CB-CB 3.94Å; A333-F338 PolarHBondContact O-N 2.93Å; E336-F338 VanDerWaalsContact C-N 3.27Å; E336-F338 HydrophobicContact CB-CD2 3.36Å; E336-F338 HydrophobicContact CB-CE2 3.36Å; E336-F338 HydrophobicContact CG-CD2 4.34Å; E336-F338 HydrophobicContact CG-CE2 4.01Å; E336-F338 PolarHBondContact O-N 2.9Å; F338-R446 HydrophobicContact CD1-CB 4.27Å; F338-R446 HydrophobicContact CD1-CG 4.19Å; F338-R446 HydrophobicContact CE1-CB 4.28Å; F338-R446 HydrophobicContact CE1-CG 3.89Å | ||
| 339 | A | 62.6 | Low | 74.6 | Confident | 1 Ų | 1 | 53.8 Ų | 53.8 | 1% | 0.008 | 29% | 0.288 | C | S | . | . | trans | -61.3 | 137.1 | -175.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | M175 N419 F420 I421 | M175-A339 HydrophobicContact CE-CB 4.45Å; M175-A339 WeakPolarHBondContact CE-O 3.3Å; A339-N419 HydrophobicContact CB-CB 3.55Å; A339-F420 WeakPolarHBondContact CA-O 3.41Å; A339-I421 HydrophobicContact CB-CD1 4.05Å; A339-I421 HydrophobicContact CB-CG1 3.42Å; A339-I421 VanDerWaalsContact CB-CG1 3.42Å | ||
| 340 | T | 67.5 | Low | 74.5 | Confident | 56 Ų | 56 | 53.5 Ų | 53.5 | 34% | 0.344 | 29% | 0.288 | S | S | . | . | B | Isolated β-bridge | trans | -127 | 149.5 | 171.1 | 55.1 | 0 | 0 | 0 | 0 | 109 | F420 | T340-F420 PolarHBondContact N-O 2.94Å; T340-F420 WeakPolarHBondContact O-CB 3.33Å; T340-F420 PolarHBondContact O-N 3.33Å |
| 341 | V | 70.3 | Confident | 74.6 | Confident | 32 Ų | 32 | 49.7 Ų | 49.7 | 19% | 0.194 | 27% | 0.273 | C | S | . | . | trans | -68.9 | 127 | 168 | -177.2 | 0 | 0 | 0 | 0 | 107.5 | N414 | V341-N414 HydrophobicContact CG1-CB 4.39Š| ||
| 342 | P | 75.5 | Confident | 74.9 | Confident | 12 Ų | 12 | 50.5 Ų | 50.5 | 8% | 0.078 | 28% | 0.276 | C | S | . | . | trans | -74.3 | 150 | -178.9 | 30 | -32.9 | 0 | 0 | 0 | 111 | V344 K410 A413 N414 F420 | P342-V344 PolarHBondContact O-N 3.09Å; P342-K410 HydrophobicContact CB-CB 3.81Å; P342-K410 HydrophobicContact CB-CD 4.35Å; P342-K410 HydrophobicContact CB-CG 3.89Å; P342-K410 HydrophobicContact CG-CB 3.91Å; P342-K410 HydrophobicContact CG-CG 4.29Å; P342-K410 WeakPolarHBondContact CG-O 3.5Å; P342-A413 HydrophobicContact CG-CB 4.02Å; P342-N414 HydrophobicContact CG-CB 4.24Å; P342-N414 VanDerWaalsContact O-CG 3.3Å; P342-N414 PolarHBondContact O-ND2 3.09Å; P342-F420 HydrophobicContact CG-CB 4.32Å; P342-F420 HydrophobicContact CG-CD1 4.48Å; P342-F420 HydrophobicContact CG-CG 4.41Å | ||
| 343 | D | 78.6 | Confident | 75.3 | Confident | 148 Ų | 148 | 56.3 Ų | 56.3 | 79% | 0.791 | 30% | 0.3 | S | S | * | . | S | Bend | trans | -76.2 | -10.5 | -177.3 | -53.8 | -37.6 | 0 | 0 | 0 | 113.9 | ||
| 344 | V | 83.6 | Confident | 76.1 | Confident | 28 Ų | 28 | 61.9 Ų | 61.9 | 17% | 0.17 | 33% | 0.326 | C | S | . | . | trans | -77 | 129.1 | -175.3 | -176.3 | 0 | 0 | 0 | 0 | 109.9 | P342 D348 V349 L407 K410 A411 N414 | P342-V344 PolarHBondContact O-N 3.09Å; V344-D348 HydrophobicContact CG1-CB 4.15Å; V344-V349 HydrophobicContact CG1-CG2 4.23Å; V344-L407 HydrophobicContact CG1-CD2 4.5Å; V344-L407 HydrophobicContact CG2-CD2 4.4Å; V344-K410 HydrophobicContact CB-CB 4.04Å; V344-K410 HydrophobicContact CG2-CB 4.18Å; V344-K410 HydrophobicContact CG2-CD 4.12Å; V344-A411 HydrophobicContact CG1-CB 4.37Å; V344-N414 WeakPolarHBondContact O-CB 3.4Å; V344-N414 PolarHBondContact O-ND2 3.13Å | ||
| 345 | T | 82.9 | Confident | 76.9 | Confident | 52 Ų | 52 | 55.6 Ų | 55.6 | 32% | 0.319 | 30% | 0.299 | S | S | . | . | trans | -110.1 | 165.7 | 177.4 | 58.8 | 0 | 0 | 0 | 0 | 110.8 | S347 D348 | T345-S347 PolarHBondContact O-N 3.19Å; T345-S347 PolarHBondContact OG1-OG 3.09Å; T345-D348 PolarHBondContact N-OD2 3.48Å; T345-D348 WeakPolarHBondContact O-CB 3.34Å; T345-D348 PolarHBondContact O-N 3.41Å; T345-D348 PolarHBondContact OG1-OD2 3.03Å | ||
| 346 | W | 83.7 | Confident | 77.6 | Confident | 35 Ų | 35 | 52.2 Ų | 52.2 | 13% | 0.133 | 29% | 0.286 | C | S | . | . | G | 310 helix | trans | -63.7 | -21.7 | 175.5 | -74 | 114 | 0 | 0 | 0 | 114.1 | D348 V349 R356 I408 A411 I412 E415 | W346-D348 PolarHBondContact O-N 3.11Å; W346-V349 HydrophobicContact CE3-CB 4.09Å; W346-V349 HydrophobicContact CE3-CG1 4.32Å; W346-V349 HydrophobicContact CZ3-CG1 4.26Å; W346-V349 PolarHBondContact O-N 3.35Å; W346-V349 VanDerWaalsContact O-O 3.1Å; W346-R356 HydrophobicContact CD2-CG 4.45Å; W346-R356 HydrophobicContact CE3-CG 4.27Å; W346-R356 HydrophobicContact CH2-CB 3.71Å; W346-R356 HydrophobicContact CH2-CG 3.52Å; W346-R356 HydrophobicContact CZ2-CB 4.36Å; W346-R356 HydrophobicContact CZ2-CG 3.68Å; W346-R356 HydrophobicContact CZ3-CB 3.9Å; W346-R356 HydrophobicContact CZ3-CG 3.84Å; W346-I408 HydrophobicContact CH2-CG2 4.12Å; W346-I408 HydrophobicContact CZ3-CG2 4.44Å; W346-A411 HydrophobicContact CD2-CB 3.82Å; W346-A411 HydrophobicContact CE3-CB 3.94Å; W346-A411 HydrophobicContact CG-CB 4.33Å; W346-A411 HydrophobicContact CZ2-CB 4.44Å; W346-A411 HydrophobicContact CZ3-CB 4.27Å; W346-I412 HydrophobicContact CH2-CD1 4.27Å; W346-I412 HydrophobicContact CH2-CG1 3.57Å; W346-I412 HydrophobicContact CZ2-CB 4.2Å; W346-I412 HydrophobicContact CZ2-CD1 4.36Å; W346-I412 HydrophobicContact CZ2-CG1 3.24Å; W346-E415 PolarHBondContact NE1-OE1 3.36Å; W346-E415 PolarHBondContact NE1-OE2 2.87Å |
| 347 | S | 84.4 | Confident | 78.5 | Confident | 93 Ų | 93 | 54.4 Ų | 54.4 | 65% | 0.65 | 30% | 0.297 | S | S | * | . | G | 310 helix | trans | -65.5 | -22.5 | 171.2 | 36.5 | 0 | 0 | 0 | 0 | 113.1 | T345 | T345-S347 PolarHBondContact O-N 3.19Å; T345-S347 PolarHBondContact OG1-OG 3.09Å |
| 348 | D | 83.8 | Confident | 79.3 | Confident | 63 Ų | 63 | 55.7 Ų | 55.7 | 34% | 0.337 | 29% | 0.293 | S | S | . | . | G | 310 helix | trans | -87.4 | -10.4 | 177.6 | -52.2 | -54.6 | 0 | 0 | 0 | 112.3 | V344 T345 W346 | V344-D348 HydrophobicContact CG1-CB 4.15Å; T345-D348 PolarHBondContact N-OD2 3.48Å; T345-D348 WeakPolarHBondContact O-CB 3.34Å; T345-D348 PolarHBondContact O-N 3.41Å; T345-D348 PolarHBondContact OG1-OD2 3.03Å; W346-D348 PolarHBondContact O-N 3.11Å |
| 349 | V | 85.9 | Confident | 80.2 | Confident | 23 Ų | 23 | 54.6 Ų | 54.6 | 14% | 0.139 | 29% | 0.288 | C | S | . | . | trans | -110.1 | 104.9 | -178.8 | -177.3 | 0 | 0 | 0 | 0 | 109.3 | V344 W346 L407 I408 A411 | V344-V349 HydrophobicContact CG1-CG2 4.23Å; W346-V349 HydrophobicContact CE3-CB 4.09Å; W346-V349 HydrophobicContact CE3-CG1 4.32Å; W346-V349 HydrophobicContact CZ3-CG1 4.26Å; W346-V349 PolarHBondContact O-N 3.35Å; W346-V349 VanDerWaalsContact O-O 3.1Å; V349-L407 HydrophobicContact CG2-CB 4.26Å; V349-I408 HydrophobicContact CG1-CG1 4.06Å; V349-A411 HydrophobicContact CG2-CB 3.85Å | ||
| 350 | G | 81.8 | Confident | 80.9 | Confident | 11 Ų | 11 | 57.5 Ų | 57.5 | 11% | 0.113 | 30% | 0.301 | C | S | . | . | trans | -79.2 | 150.5 | 171.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 351 | A | 83.1 | Confident | 81.3 | Confident | 13 Ų | 13 | 62.3 Ų | 62.3 | 11% | 0.107 | 31% | 0.313 | C | S | . | . | S | Bend | trans | 65.2 | -167.6 | 176.2 | 0 | 0 | 0 | 0 | 0 | 116.4 | E353 D545 S548 I549 | A351-E353 PolarHBondContact O-N 3.39Å; A351-D545 HydrophobicContact CB-CB 3.37Å; A351-S548 PolarHBondContact N-OG 3.03Å; A351-I549 HydrophobicContact CB-CD1 4.23Å; A351-I549 HydrophobicContact CB-CG1 4.15Å |
| 352 | L | 81 | Confident | 81.4 | Confident | 38 Ų | 38 | 61.3 Ų | 61.3 | 20% | 0.199 | 31% | 0.307 | C | S | . | . | trans | 64.6 | 36.4 | 172.7 | -60 | 169.9 | 0 | 0 | 0 | 114.6 | H354 V355 R356 I408 V538 | L352-H354 VanDerWaalsContact C-N 3.32Å; L352-H354 PolarHBondContact O-N 3.28Å; L352-V355 HydrophobicContact CB-CB 4.22Å; L352-V355 HydrophobicContact CD2-CG2 4.32Å; L352-V355 PolarHBondContact O-N 3.26Å; L352-R356 PolarHBondContact O-N 2.96Å; L352-I408 HydrophobicContact CD1-CD1 3.43Å; L352-I408 VanDerWaalsContact CD1-CD1 3.43Å; L352-I408 HydrophobicContact CD1-CG1 4.38Å; L352-V538 HydrophobicContact CD1-CG1 3.75Å; L352-V538 HydrophobicContact CD2-CG1 4.29Å | ||
| 353 | E | 82 | Confident | 81 | Confident | 146 Ų | 146 | 60.9 Ų | 60.9 | 68% | 0.682 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -52.6 | -46.5 | -179.9 | -66.1 | 177.1 | 177.7 | 0 | 0 | 112.4 | A351 V355 R356 E357 | A351-E353 PolarHBondContact O-N 3.39Å; E353-V355 PolarHBondContact O-N 2.67Å; E353-R356 WeakPolarHBondContact O-CB 3.3Å; E353-R356 PolarHBondContact O-N 3.49Å; E353-E357 WeakPolarHBondContact O-CG 3.21Å; E353-E357 PolarHBondContact O-N 3.07Å |
| 354 | H | 84.2 | Confident | 80.2 | Confident | 117 Ų | 117 | 56 Ų | 56 | 54% | 0.542 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -59.3 | -44.3 | 176.2 | 178.1 | -69.9 | 0 | 0 | 0 | 112.6 | L352 R356 E357 E358 | L352-H354 VanDerWaalsContact C-N 3.32Å; L352-H354 PolarHBondContact O-N 3.28Å; H354-R356 VanDerWaalsContact C-N 3.34Å; H354-E357 PolarHBondContact O-N 3.14Å; H354-E358 WeakPolarHBondContact O-CB 3.4Å; H354-E358 VanDerWaalsContact O-CG 3.3Å; H354-E358 WeakPolarHBondContact O-CG 3.47Å; H354-E358 PolarHBondContact O-N 3.34Å |
| 355 | V | 84.2 | Confident | 79 | Confident | 11 Ų | 11 | 56 Ų | 56 | 7% | 0.067 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -69.1 | -37.9 | 179.9 | 174.9 | 0 | 0 | 0 | 0 | 110.1 | L352 E353 L359 L536 V538 | L352-V355 HydrophobicContact CB-CB 4.22Å; L352-V355 HydrophobicContact CD2-CG2 4.32Å; L352-V355 PolarHBondContact O-N 3.26Å; E353-V355 PolarHBondContact O-N 2.67Å; V355-L359 HydrophobicContact CG1-CD1 3.54Å; V355-L359 HydrophobicContact CG1-CG 4.27Å; V355-L359 VanDerWaalsContact O-CB 3.24Å; V355-L359 WeakPolarHBondContact O-CB 3.48Å; V355-L359 WeakPolarHBondContact O-CD1 3.12Å; V355-L359 WeakPolarHBondContact O-CG 3.44Å; V355-L359 PolarHBondContact O-N 3.24Å; V355-L536 HydrophobicContact CG1-CD1 4.2Å; V355-V538 HydrophobicContact CG1-CG2 4.31Å |
| 356 | R | 83.9 | Confident | 77.8 | Confident | 88 Ų | 88 | 54.7 Ų | 54.7 | 33% | 0.332 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -59.8 | -51.5 | 173.7 | 169.4 | 175.5 | -176.2 | -160.7 | 0.7 | 111.1 | W346 L352 E353 H354 E358 L359 Q360 E415 | W346-R356 HydrophobicContact CD2-CG 4.45Å; W346-R356 HydrophobicContact CE3-CG 4.27Å; W346-R356 HydrophobicContact CH2-CB 3.71Å; W346-R356 HydrophobicContact CH2-CG 3.52Å; W346-R356 HydrophobicContact CZ2-CB 4.36Å; W346-R356 HydrophobicContact CZ2-CG 3.68Å; W346-R356 HydrophobicContact CZ3-CB 3.9Å; W346-R356 HydrophobicContact CZ3-CG 3.84Å; L352-R356 PolarHBondContact O-N 2.96Å; E353-R356 WeakPolarHBondContact O-CB 3.3Å; E353-R356 PolarHBondContact O-N 3.49Å; H354-R356 VanDerWaalsContact C-N 3.34Å; R356-E358 PolarHBondContact O-N 2.98Å; R356-L359 PolarHBondContact O-N 2.89Å; R356-Q360 VanDerWaalsContact O-CB 3.23Å; R356-Q360 WeakPolarHBondContact O-CB 3.36Å; R356-Q360 PolarHBondContact O-N 3.32Å; R356-E415 IonicContact NH2-OE1 2.93Å; R356-E415 PolarHBondContact NH2-OE1 2.74Å |
| 357 | E | 82.6 | Confident | 76.3 | Confident | 114 Ų | 114 | 54.1 Ų | 54.1 | 53% | 0.533 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -58.8 | -48.6 | 179 | -73.4 | 177.7 | -178.5 | 0 | 0 | 110.9 | E353 H354 L359 Q360 W361 | E353-E357 WeakPolarHBondContact O-CG 3.21Å; E353-E357 PolarHBondContact O-N 3.07Å; H354-E357 PolarHBondContact O-N 3.14Å; E357-L359 VanDerWaalsContact C-N 3.3Å; E357-L359 PolarHBondContact O-N 3.12Å; E357-Q360 PolarHBondContact O-N 2.98Å; E357-W361 WeakPolarHBondContact O-CB 3.49Å; E357-W361 PolarHBondContact O-N 3.48Å |
| 358 | E | 81.6 | Confident | 74.6 | Confident | 65 Ų | 65 | 50.5 Ų | 50.5 | 30% | 0.304 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -58.8 | -40.7 | 177.1 | -78.1 | -67.6 | 161.4 | 0 | 0 | 112.8 | H354 R356 S362 K534 L536 | H354-E358 WeakPolarHBondContact O-CB 3.4Å; H354-E358 VanDerWaalsContact O-CG 3.3Å; H354-E358 WeakPolarHBondContact O-CG 3.47Å; H354-E358 PolarHBondContact O-N 3.34Å; R356-E358 PolarHBondContact O-N 2.98Å; E358-S362 WeakPolarHBondContact O-CB 3.5Å; E358-S362 PolarHBondContact O-N 2.87Å; E358-S362 PolarHBondContact O-OG 2.76Å; E358-K534 WeakPolarHBondContact OE2-CE 3.45Å; E358-K534 IonicContact OE2-NZ 2.89Å; E358-K534 PolarHBondContact OE2-NZ 3.46Å; E358-L536 HydrophobicContact CB-CD1 4.06Å; E358-L536 HydrophobicContact CB-CD2 4.09Å; E358-L536 HydrophobicContact CG-CD2 4.41Å |
| 359 | L | 80.9 | Confident | 72.7 | Confident | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -71.1 | -43.2 | 178 | -77.3 | 169 | 0 | 0 | 0 | 112.2 | V355 R356 E357 S362 I363 L395 L397 I408 I412 M498 L536 | V355-L359 HydrophobicContact CG1-CD1 3.54Å; V355-L359 HydrophobicContact CG1-CG 4.27Å; V355-L359 VanDerWaalsContact O-CB 3.24Å; V355-L359 WeakPolarHBondContact O-CB 3.48Å; V355-L359 WeakPolarHBondContact O-CD1 3.12Å; V355-L359 WeakPolarHBondContact O-CG 3.44Å; V355-L359 PolarHBondContact O-N 3.24Å; R356-L359 PolarHBondContact O-N 2.89Å; E357-L359 VanDerWaalsContact C-N 3.3Å; E357-L359 PolarHBondContact O-N 3.12Å; L359-S362 PolarHBondContact O-N 3.07Å; L359-I363 WeakPolarHBondContact O-CB 3.4Å; L359-I363 PolarHBondContact O-N 3.18Å; L359-L395 HydrophobicContact CD2-CD1 3.6Å; L359-L395 HydrophobicContact CD2-CD2 3.27Å; L359-L395 HydrophobicContact CD2-CG 4.04Å; L359-L397 HydrophobicContact CD1-CD2 4.14Å; L359-L397 HydrophobicContact CD2-CD2 4.41Å; L359-I408 HydrophobicContact CD1-CG2 3.35Å; L359-I412 HydrophobicContact CB-CD1 3.48Å; L359-I412 VanDerWaalsContact CB-CD1 3.48Å; L359-I412 HydrophobicContact CB-CG1 4.18Å; L359-I412 HydrophobicContact CD1-CD1 3.39Å; L359-I412 HydrophobicContact CD2-CD1 4Å; L359-I412 HydrophobicContact CG-CD1 3.78Å; L359-M498 HydrophobicContact CD2-CE 4.08Å; L359-L536 HydrophobicContact CD1-CD1 4.19Å; L359-L536 HydrophobicContact CD2-CD1 3.61Å; L359-L536 HydrophobicContact CG-CD1 3.53Å |
| 360 | Q | 77.1 | Confident | 70.6 | Confident | 63 Ų | 63 | 50.2 Ų | 50.2 | 29% | 0.294 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -61.3 | -48.6 | 176.7 | -162.8 | 172.3 | 15.8 | 0 | 0 | 108.7 | R356 E357 S362 I363 L364 E415 | R356-Q360 VanDerWaalsContact O-CB 3.23Å; R356-Q360 WeakPolarHBondContact O-CB 3.36Å; R356-Q360 PolarHBondContact O-N 3.32Å; E357-Q360 PolarHBondContact O-N 2.98Å; Q360-S362 PolarHBondContact O-N 2.86Å; Q360-I363 PolarHBondContact O-N 2.83Å; Q360-L364 WeakPolarHBondContact O-CA 3.24Å; Q360-L364 WeakPolarHBondContact O-CB 3.4Å; Q360-L364 PolarHBondContact O-N 2.81Å; Q360-E415 PolarHBondContact NE2-OE1 2.95Å; Q360-E415 PolarHBondContact NE2-OE2 3.06Å |
| 361 | W | 76.3 | Confident | 68.6 | Low | 157 Ų | 157 | 54.5 Ų | 54.5 | 60% | 0.595 | 28% | 0.275 | S | S | * | . | H | α-helix | trans | -57.6 | -48 | 171.7 | -80.7 | 108.7 | 0 | 0 | 0 | 112.1 | E357 I363 V365 | E357-W361 WeakPolarHBondContact O-CB 3.49Å; E357-W361 PolarHBondContact O-N 3.48Å; W361-I363 PolarHBondContact O-N 3.31Å; W361-V365 HydrophobicContact CE3-CG2 3.79Å; W361-V365 HydrophobicContact CZ3-CG2 4.39Å; W361-V365 WeakPolarHBondContact O-CA 3.46Å; W361-V365 WeakPolarHBondContact O-CB 3.38Å; W361-V365 WeakPolarHBondContact O-CG2 3.37Å; W361-V365 PolarHBondContact O-N 3.19Å |
| 362 | S | 71.7 | Confident | 66.5 | Low | 10 Ų | 10 | 55 Ų | 55 | 7% | 0.07 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -62.2 | -44.1 | -176.8 | -54 | 0 | 0 | 0 | 0 | 112.8 | E358 L359 Q360 G366 K534 | E358-S362 WeakPolarHBondContact O-CB 3.5Å; E358-S362 PolarHBondContact O-N 2.87Å; E358-S362 PolarHBondContact O-OG 2.76Å; L359-S362 PolarHBondContact O-N 3.07Å; Q360-S362 PolarHBondContact O-N 2.86Å; S362-G366 PolarHBondContact O-N 3.2Å; S362-K534 WeakPolarHBondContact OG-CD 3.48Å; S362-K534 WeakPolarHBondContact OG-CE 3.3Å; S362-K534 PolarHBondContact OG-NZ 3.17Å |
| 363 | I | 68 | Low | 64.6 | Low | 3 Ų | 3 | 57 Ų | 57 | 2% | 0.015 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -80.7 | -44.3 | -177.8 | -71 | 164 | 0 | 0 | 0 | 110.4 | L359 Q360 W361 V365 G366 V367 I412 I418 F496 M498 | L359-I363 WeakPolarHBondContact O-CB 3.4Å; L359-I363 PolarHBondContact O-N 3.18Å; Q360-I363 PolarHBondContact O-N 2.83Å; W361-I363 PolarHBondContact O-N 3.31Å; I363-V365 PolarHBondContact O-N 2.93Å; I363-G366 PolarHBondContact O-N 3.31Å; I363-V367 HydrophobicContact CG2-CG2 3.86Å; I363-V367 WeakPolarHBondContact O-CA 3.46Å; I363-V367 WeakPolarHBondContact O-CB 3.47Å; I363-V367 WeakPolarHBondContact O-CG2 3.4Å; I363-V367 PolarHBondContact O-N 3.11Å; I363-I412 HydrophobicContact CB-CG2 4.25Å; I363-I412 HydrophobicContact CD1-CB 4.21Å; I363-I412 HydrophobicContact CD1-CD1 4.34Å; I363-I412 HydrophobicContact CD1-CG2 3.36Å; I363-I412 HydrophobicContact CG1-CG2 4.37Å; I363-I412 HydrophobicContact CG2-CG2 4.28Å; I363-I418 HydrophobicContact CG2-CD1 4.11Å; I363-F496 HydrophobicContact CD1-CD1 4.2Å; I363-F496 HydrophobicContact CD1-CE1 3.78Å; I363-F496 HydrophobicContact CD1-CZ 4.44Å; I363-F496 HydrophobicContact CG1-CD1 3.78Å; I363-F496 HydrophobicContact CG1-CE1 3.37Å; I363-F496 HydrophobicContact CG1-CE2 4.24Å; I363-F496 HydrophobicContact CG1-CG 4.38Å; I363-F496 HydrophobicContact CG1-CZ 3.65Å; I363-M498 HydrophobicContact CD1-CE 4.48Å; I363-M498 HydrophobicContact CD1-SD 3.74Å |
| 364 | L | 61.1 | Low | 62.6 | Low | 45 Ų | 45 | 54 Ų | 54 | 24% | 0.236 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -63.5 | -41.9 | 177.2 | -175.5 | 141 | 0 | 0 | 0 | 110.6 | Q360 M368 | Q360-L364 WeakPolarHBondContact O-CA 3.24Å; Q360-L364 WeakPolarHBondContact O-CB 3.4Å; Q360-L364 PolarHBondContact O-N 2.81Å; L364-M368 HydrophobicContact CD1-CE 4.38Å; L364-M368 HydrophobicContact CD2-CE 3.81Å; L364-M368 HydrophobicContact CD2-CG 4.1Å; L364-M368 HydrophobicContact CD2-SD 3.15Å; L364-M368 WeakPolarHBondContact CD2-SD 3.49Å; L364-M368 HydrophobicContact CG-CE 4.12Å; L364-M368 HydrophobicContact CG-CG 4.01Å; L364-M368 HydrophobicContact CG-SD 3.67Å; L364-M368 WeakPolarHBondContact O-CA 3.43Å; L364-M368 WeakPolarHBondContact O-CB 3.47Å; L364-M368 WeakPolarHBondContact O-CG 3.45Å; L364-M368 PolarHBondContact O-N 3.29Å |
| 365 | V | 59.4 | Low | 60.2 | Low | 30 Ų | 30 | 55.4 Ų | 55.4 | 18% | 0.182 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -63.8 | -48.9 | 173 | 169.4 | 0 | 0 | 0 | 0 | 110.9 | W361 I363 V367 Q369 F383 | W361-V365 HydrophobicContact CE3-CG2 3.79Å; W361-V365 HydrophobicContact CZ3-CG2 4.39Å; W361-V365 WeakPolarHBondContact O-CA 3.46Å; W361-V365 WeakPolarHBondContact O-CB 3.38Å; W361-V365 WeakPolarHBondContact O-CG2 3.37Å; W361-V365 PolarHBondContact O-N 3.19Å; I363-V365 PolarHBondContact O-N 2.93Å; V365-V367 VanDerWaalsContact C-N 3.31Å; V365-V367 PolarHBondContact O-N 3.28Å; V365-Q369 WeakPolarHBondContact O-CB 3.2Å; V365-Q369 WeakPolarHBondContact O-CG 3.23Å; V365-Q369 PolarHBondContact O-N 2.84Å; V365-F383 HydrophobicContact CB-CE1 4.34Å; V365-F383 HydrophobicContact CB-CZ 3.97Å; V365-F383 HydrophobicContact CG1-CD1 3.98Å; V365-F383 HydrophobicContact CG1-CE1 3.27Å; V365-F383 HydrophobicContact CG1-CE2 3.99Å; V365-F383 HydrophobicContact CG1-CZ 3.32Å; V365-F383 HydrophobicContact CG2-CE1 4.22Å; V365-F383 HydrophobicContact CG2-CE2 4.35Å; V365-F383 HydrophobicContact CG2-CZ 3.59Å |
| 366 | G | 57.2 | Low | 57.6 | Low | 23 Ų | 23 | 57.5 Ų | 57.5 | 24% | 0.237 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -63.5 | -34.8 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | S362 I363 | S362-G366 PolarHBondContact O-N 3.2Å; I363-G366 PolarHBondContact O-N 3.31Å |
| 367 | V | 53.1 | Low | 55.5 | Low | 24 Ų | 24 | 57 Ų | 57 | 15% | 0.145 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -87.7 | -37 | -177.1 | 175.3 | 0 | 0 | 0 | 0 | 111.3 | I363 V365 C370 V372 I418 | I363-V367 HydrophobicContact CG2-CG2 3.86Å; I363-V367 WeakPolarHBondContact O-CA 3.46Å; I363-V367 WeakPolarHBondContact O-CB 3.47Å; I363-V367 WeakPolarHBondContact O-CG2 3.4Å; I363-V367 PolarHBondContact O-N 3.11Å; V365-V367 VanDerWaalsContact C-N 3.31Å; V365-V367 PolarHBondContact O-N 3.28Å; V367-C370 CarbonylContact O-C 3.57Å; V367-C370 PolarHBondContact O-N 3.39Å; V367-C370 VanDerWaalsContact O-N 3.12Å; V367-V372 HydrophobicContact CG1-CG2 3.79Å; V367-I418 HydrophobicContact CB-CD1 4.04Å; V367-I418 HydrophobicContact CG1-CD1 3.7Å; V367-I418 HydrophobicContact CG1-CG1 4.49Å; V367-I418 HydrophobicContact CG2-CD1 3.32Å |
| 368 | M | 47.2 | Very low | 53.3 | Low | 17 Ų | 17 | 61 Ų | 61 | 8% | 0.084 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -70 | -31.2 | 175.2 | -81.2 | -179.1 | 151.3 | 0 | 0 | 112.6 | L364 C370 Y375 W379 | L364-M368 HydrophobicContact CD1-CE 4.38Å; L364-M368 HydrophobicContact CD2-CE 3.81Å; L364-M368 HydrophobicContact CD2-CG 4.1Å; L364-M368 HydrophobicContact CD2-SD 3.15Å; L364-M368 WeakPolarHBondContact CD2-SD 3.49Å; L364-M368 HydrophobicContact CG-CE 4.12Å; L364-M368 HydrophobicContact CG-CG 4.01Å; L364-M368 HydrophobicContact CG-SD 3.67Å; L364-M368 WeakPolarHBondContact O-CA 3.43Å; L364-M368 WeakPolarHBondContact O-CB 3.47Å; L364-M368 WeakPolarHBondContact O-CG 3.45Å; L364-M368 PolarHBondContact O-N 3.29Å; M368-C370 PolarHBondContact O-N 3.21Å; M368-Y375 VanDerWaalsContact CE-CB 3.4Å; M368-Y375 HydrophobicContact CE-CD1 3.46Å; M368-Y375 VanDerWaalsContact CE-CD1 3.46Å; M368-Y375 HydrophobicContact CE-CG 3.76Å; M368-W379 HydrophobicContact CE-CE3 3.68Å; M368-W379 HydrophobicContact CE-CZ3 3.65Å; M368-W379 HydrophobicContact SD-CE3 3.59Å; M368-W379 VanDerWaalsContact SD-CE3 3.59Å; M368-W379 HydrophobicContact SD-CZ3 4.02Å |
| 369 | Q | 44.6 | Very low | 51.9 | Low | 46 Ų | 46 | 62.5 Ų | 62.5 | 22% | 0.215 | 32% | 0.315 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -54.1 | -26.6 | 169.9 | -84.3 | 179.2 | -4.6 | 0 | 0 | 111.4 | V365 F383 L388 | V365-Q369 WeakPolarHBondContact O-CB 3.2Å; V365-Q369 WeakPolarHBondContact O-CG 3.23Å; V365-Q369 PolarHBondContact O-N 2.84Å; Q369-F383 HydrophobicContact CG-CB 3.76Å; Q369-F383 HydrophobicContact CG-CD1 4.29Å; Q369-F383 HydrophobicContact CG-CD2 3.69Å; Q369-F383 HydrophobicContact CG-CE2 4.48Å; Q369-F383 HydrophobicContact CG-CG 3.63Å; Q369-L388 PolarHBondContact NE2-O 2.86Å |
| 370 | C | 42.2 | Very low | 50.5 | Low | 34 Ų | 34 | 64 Ų | 64 | 23% | 0.23 | 33% | 0.326 | C | S | . | . | S | Bend | trans | -116 | 75 | -174.5 | -61.5 | 0 | 0 | 0 | 0 | 112.5 | V367 M368 V372 Q494 | V367-C370 CarbonylContact O-C 3.57Å; V367-C370 PolarHBondContact O-N 3.39Å; V367-C370 VanDerWaalsContact O-N 3.12Å; M368-C370 PolarHBondContact O-N 3.21Å; C370-V372 PolarHBondContact O-N 2.77Å; C370-Q494 HydrophobicContact CB-CG 3.44Å; C370-Q494 VanDerWaalsContact CB-CG 3.44Å; C370-Q494 PolarHBondContact O-NE2 3.03Å; C370-Q494 VanDerWaalsContact O-NE2 3.09Å |
| 371 | S | 40.1 | Very low | 49.7 | Very low | 101 Ų | 101 | 66.6 Ų | 66.6 | 71% | 0.706 | 34% | 0.338 | S | S | * | . | trans | 66.2 | 28.9 | 151.6 | -34.4 | 0 | 0 | 0 | 0 | 117.1 | E373 | S371-E373 PolarHBondContact O-N 2.84Š| ||
| 372 | V | 37.5 | Very low | 49.2 | Very low | 23 Ų | 23 | 63.8 Ų | 63.8 | 14% | 0.139 | 33% | 0.331 | C | S | . | . | trans | -93.6 | 92 | 169.2 | -173.6 | 0 | 0 | 0 | 0 | 108.9 | K179 V367 C370 S374 | K179-V372 HydrophobicContact CD-CG2 4.39Å; V367-V372 HydrophobicContact CG1-CG2 3.79Å; C370-V372 PolarHBondContact O-N 2.77Å; V372-S374 WeakPolarHBondContact CG1-OG 3.44Å; V372-S374 PolarHBondContact O-N 2.78Å | ||
| 373 | E | 41.4 | Very low | 48.7 | Very low | 81 Ų | 81 | 65 Ų | 65 | 38% | 0.379 | 34% | 0.335 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.7 | -15.4 | -179.2 | -73.7 | 170.7 | 171.4 | 0 | 0 | 114.3 | S182 K183 S371 Y375 V377 | S182-E373 PolarHBondContact OG-OE2 3.18Å; K183-E373 WeakPolarHBondContact CE-OE1 3.23Å; K183-E373 IonicContact NZ-OE1 3.51Å; K183-E373 PolarHBondContact NZ-OE1 3.38Å; K183-E373 IonicContact NZ-OE2 3.11Å; S371-E373 PolarHBondContact O-N 2.84Å; E373-Y375 VanDerWaalsContact C-N 3.26Å; E373-Y375 PolarHBondContact O-N 2.93Å; E373-V377 HydrophobicContact CB-CG2 4.15Å; E373-V377 HydrophobicContact CG-CG2 3.89Å |
| 374 | S | 40.4 | Very low | 48.6 | Very low | 83 Ų | 83 | 68.7 Ų | 68.7 | 58% | 0.58 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.7 | -8 | -176.3 | 40.5 | 0 | 0 | 0 | 0 | 114.6 | V372 | V372-S374 WeakPolarHBondContact CG1-OG 3.44Å; V372-S374 PolarHBondContact O-N 2.78Å |
| 375 | Y | 33.8 | Very low | 49 | Very low | 146 Ų | 146 | 75.8 Ų | 75.8 | 57% | 0.573 | 39% | 0.385 | S | S | * | . | S | Bend | trans | -130.6 | 133.7 | 172.7 | -112.4 | -81 | 0 | 0 | 0 | 105 | M368 E373 V377 | M368-Y375 VanDerWaalsContact CE-CB 3.4Å; M368-Y375 HydrophobicContact CE-CD1 3.46Å; M368-Y375 VanDerWaalsContact CE-CD1 3.46Å; M368-Y375 HydrophobicContact CE-CG 3.76Å; E373-Y375 VanDerWaalsContact C-N 3.26Å; E373-Y375 PolarHBondContact O-N 2.93Å; Y375-V377 PolarHBondContact O-N 3.32Å |
| 376 | P | 28.6 | Very low | 49.6 | Very low | 55 Ų | 55 | 81 Ų | 81 | 36% | 0.357 | 41% | 0.409 | S | S | . | . | trans | -53 | 115.6 | -154.1 | 19.1 | -31.3 | 0 | 0 | 0 | 112.2 | R378 W379 | P376-R378 HydrophobicContact CB-CB 4.05Å; P376-R378 HydrophobicContact CB-CG 3.76Å; P376-R378 PolarHBondContact O-N 3.34Å; P376-W379 PolarHBondContact O-N 3.22Å | ||
| 377 | V | 40.8 | Very low | 50.1 | Low | 78 Ų | 78 | 82.7 Ų | 82.7 | 47% | 0.473 | 43% | 0.427 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -49.6 | -6 | 167.1 | -175 | 0 | 0 | 0 | 0 | 112.8 | E373 Y375 W379 S380 | E373-V377 HydrophobicContact CB-CG2 4.15Å; E373-V377 HydrophobicContact CG-CG2 3.89Å; Y375-V377 PolarHBondContact O-N 3.32Å; V377-W379 PolarHBondContact O-N 3.2Å; V377-S380 PolarHBondContact O-N 2.95Å; V377-S380 PolarHBondContact O-OG 2.82Å |
| 378 | R | 36.5 | Very low | 50.6 | Low | 196 Ų | 196 | 86 Ų | 86 | 74% | 0.74 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -49.6 | -27.5 | 173.5 | -65 | -178.6 | -179.9 | -174.7 | -2 | 113.5 | P376 Q382 | P376-R378 HydrophobicContact CB-CB 4.05Å; P376-R378 HydrophobicContact CB-CG 3.76Å; P376-R378 PolarHBondContact O-N 3.34Å; R378-Q382 WeakPolarHBondContact O-CG 3.42Å; R378-Q382 PolarHBondContact O-NE2 3.29Å |
| 379 | W | 52 | Low | 50.9 | Low | 97 Ų | 97 | 87.4 Ų | 87.4 | 37% | 0.367 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -98.6 | -16.4 | -174.4 | -63.6 | -37.5 | 0 | 0 | 0 | 116 | M368 P376 V377 E381 Q382 F383 | M368-W379 HydrophobicContact CE-CE3 3.68Å; M368-W379 HydrophobicContact CE-CZ3 3.65Å; M368-W379 HydrophobicContact SD-CE3 3.59Å; M368-W379 VanDerWaalsContact SD-CE3 3.59Å; M368-W379 HydrophobicContact SD-CZ3 4.02Å; P376-W379 PolarHBondContact O-N 3.22Å; V377-W379 PolarHBondContact O-N 3.2Å; W379-E381 VanDerWaalsContact C-N 3.35Å; W379-E381 PolarHBondContact O-N 2.89Å; W379-Q382 VanDerWaalsContact CD1-CD 3.44Å; W379-Q382 CarbonylContact O-C 3.57Å; W379-Q382 WeakPolarHBondContact O-CB 3.4Å; W379-Q382 PolarHBondContact O-N 3.21Å; W379-F383 HydrophobicContact CB-CD2 4.14Å; W379-F383 HydrophobicContact CB-CE2 3.88Å; W379-F383 WeakPolarHBondContact O-CD2 3.46Å; W379-F383 PolarHBondContact O-N 3.23Å |
| 380 | S | 51.1 | Low | 51.3 | Low | 33 Ų | 33 | 89.5 Ų | 89.5 | 23% | 0.231 | 48% | 0.482 | C | S | . | . | H | α-helix | trans | -64.6 | -40 | 179.3 | 63.6 | 0 | 0 | 0 | 0 | 112.2 | V377 Q382 F383 S384 | V377-S380 PolarHBondContact O-N 2.95Å; V377-S380 PolarHBondContact O-OG 2.82Å; S380-Q382 VanDerWaalsContact C-N 3.33Å; S380-F383 PolarHBondContact O-N 3.47Å; S380-S384 WeakPolarHBondContact O-CB 3.39Å; S380-S384 PolarHBondContact O-N 3.23Å; S380-S384 PolarHBondContact O-OG 3.24Å |
| 381 | E | 60.3 | Low | 52 | Low | 116 Ų | 116 | 94 Ų | 94 | 54% | 0.542 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -63 | -40.7 | 170.6 | -79.7 | -169 | -158.3 | 0 | 0 | 111.5 | W379 S384 R385 | W379-E381 VanDerWaalsContact C-N 3.35Å; W379-E381 PolarHBondContact O-N 2.89Å; E381-S384 PolarHBondContact O-N 3.39Å; E381-R385 WeakPolarHBondContact O-CB 3.21Å; E381-R385 VanDerWaalsContact O-CG 3.23Å; E381-R385 WeakPolarHBondContact O-CG 3.33Å; E381-R385 PolarHBondContact O-N 3.25Å; E381-R385 IonicContact OE2-CZ 3.7Å; E381-R385 IonicContact OE2-NE 3.32Å; E381-R385 IonicContact OE2-NH2 2.84Å; E381-R385 PolarHBondContact OE2-NH2 2.88Å |
| 382 | Q | 65.7 | Low | 52.8 | Low | 98 Ų | 98 | 90.7 Ų | 90.7 | 46% | 0.458 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -65.6 | -42.7 | 179.6 | -62.6 | -179.3 | 14.4 | 0 | 0 | 111.1 | R378 W379 S380 S384 R385 M386 | R378-Q382 WeakPolarHBondContact O-CG 3.42Å; R378-Q382 PolarHBondContact O-NE2 3.29Å; W379-Q382 VanDerWaalsContact CD1-CD 3.44Å; W379-Q382 CarbonylContact O-C 3.57Å; W379-Q382 WeakPolarHBondContact O-CB 3.4Å; W379-Q382 PolarHBondContact O-N 3.21Å; S380-Q382 VanDerWaalsContact C-N 3.33Å; Q382-S384 VanDerWaalsContact C-N 3.33Å; Q382-S384 PolarHBondContact O-N 3.38Å; Q382-R385 PolarHBondContact O-N 3Å; Q382-M386 WeakPolarHBondContact O-CB 3.29Å; Q382-M386 WeakPolarHBondContact O-CG 3.49Å; Q382-M386 PolarHBondContact O-N 3.39Å |
| 383 | F | 62.6 | Low | 54.3 | Low | 35 Ų | 35 | 94.1 Ų | 94.1 | 15% | 0.154 | 49% | 0.491 | C | S | . | . | H | α-helix | trans | -62.1 | -40.4 | 173.3 | -77.8 | -66.1 | 0 | 0 | 0 | 112.6 | V365 Q369 W379 S380 M386 G387 L388 | V365-F383 HydrophobicContact CB-CE1 4.34Å; V365-F383 HydrophobicContact CB-CZ 3.97Å; V365-F383 HydrophobicContact CG1-CD1 3.98Å; V365-F383 HydrophobicContact CG1-CE1 3.27Å; V365-F383 HydrophobicContact CG1-CE2 3.99Å; V365-F383 HydrophobicContact CG1-CZ 3.32Å; V365-F383 HydrophobicContact CG2-CE1 4.22Å; V365-F383 HydrophobicContact CG2-CE2 4.35Å; V365-F383 HydrophobicContact CG2-CZ 3.59Å; Q369-F383 HydrophobicContact CG-CB 3.76Å; Q369-F383 HydrophobicContact CG-CD1 4.29Å; Q369-F383 HydrophobicContact CG-CD2 3.69Å; Q369-F383 HydrophobicContact CG-CE2 4.48Å; Q369-F383 HydrophobicContact CG-CG 3.63Å; W379-F383 HydrophobicContact CB-CD2 4.14Å; W379-F383 HydrophobicContact CB-CE2 3.88Å; W379-F383 WeakPolarHBondContact O-CD2 3.46Å; W379-F383 PolarHBondContact O-N 3.23Å; S380-F383 PolarHBondContact O-N 3.47Å; F383-M386 PolarHBondContact O-N 3.06Å; F383-G387 PolarHBondContact O-N 3.18Å; F383-L388 HydrophobicContact CD1-CB 3.98Å; F383-L388 HydrophobicContact CD1-CD1 3.74Å; F383-L388 HydrophobicContact CE1-CD1 4.02Å; F383-L388 PolarHBondContact O-N 3.3Å |
| 384 | S | 64.3 | Low | 56 | Low | 81 Ų | 81 | 90.3 Ų | 90.3 | 57% | 0.566 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -64.9 | -42.8 | 176 | -56.3 | 0 | 0 | 0 | 0 | 111.2 | S380 E381 Q382 M386 G387 | S380-S384 WeakPolarHBondContact O-CB 3.39Å; S380-S384 PolarHBondContact O-N 3.23Å; S380-S384 PolarHBondContact O-OG 3.24Å; E381-S384 PolarHBondContact O-N 3.39Å; Q382-S384 VanDerWaalsContact C-N 3.33Å; Q382-S384 PolarHBondContact O-N 3.38Å; S384-M386 VanDerWaalsContact C-N 3.34Å; S384-M386 PolarHBondContact O-N 3.2Å; S384-G387 PolarHBondContact O-N 3.37Å; S384-G387 VanDerWaalsContact O-N 3.15Å |
| 385 | R | 71 | Confident | 58.2 | Low | 194 Ų | 194 | 86.4 Ų | 86.4 | 73% | 0.732 | 45% | 0.446 | S | S | * | . | H | α-helix | trans | -65.4 | -35 | 175.3 | -73 | 177.3 | -165 | -168.7 | 7.6 | 112.5 | E381 Q382 G387 | E381-R385 WeakPolarHBondContact O-CB 3.21Å; E381-R385 VanDerWaalsContact O-CG 3.23Å; E381-R385 WeakPolarHBondContact O-CG 3.33Å; E381-R385 PolarHBondContact O-N 3.25Å; E381-R385 IonicContact OE2-CZ 3.7Å; E381-R385 IonicContact OE2-NE 3.32Å; E381-R385 IonicContact OE2-NH2 2.84Å; E381-R385 PolarHBondContact OE2-NH2 2.88Å; Q382-R385 PolarHBondContact O-N 3Å; R385-G387 PolarHBondContact O-N 3.17Å |
| 386 | M | 71.4 | Confident | 60.8 | Low | 139 Ų | 139 | 79.4 Ų | 79.4 | 69% | 0.685 | 42% | 0.419 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.4 | 1.1 | 175.9 | -66.7 | -61.4 | -69.4 | 0 | 0 | 113 | Q382 F383 S384 L388 | Q382-M386 WeakPolarHBondContact O-CB 3.29Å; Q382-M386 WeakPolarHBondContact O-CG 3.49Å; Q382-M386 PolarHBondContact O-N 3.39Å; F383-M386 PolarHBondContact O-N 3.06Å; S384-M386 VanDerWaalsContact C-N 3.34Å; S384-M386 PolarHBondContact O-N 3.2Å; M386-L388 HydrophobicContact CB-CD1 3.9Å; M386-L388 HydrophobicContact CB-CG 3.94Å; M386-L388 PolarHBondContact O-N 3.32Å |
| 387 | G | 66.5 | Low | 63.7 | Low | 60 Ų | 60 | 76.8 Ų | 76.8 | 62% | 0.619 | 40% | 0.402 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 68.2 | 11.4 | -178.5 | 0 | 0 | 0 | 0 | 0 | 114 | F383 S384 R385 G389 | F383-G387 PolarHBondContact O-N 3.18Å; S384-G387 PolarHBondContact O-N 3.37Å; S384-G387 VanDerWaalsContact O-N 3.15Å; R385-G387 PolarHBondContact O-N 3.17Å; G387-G389 PolarHBondContact O-N 2.83Å |
| 388 | L | 64.3 | Low | 65.8 | Low | 92 Ų | 92 | 73.3 Ų | 73.3 | 48% | 0.482 | 38% | 0.381 | S | S | . | . | trans | -84 | 1.9 | -179.7 | -62.2 | 174.3 | 0 | 0 | 0 | 112.3 | Q369 F383 M386 S390 | Q369-L388 PolarHBondContact NE2-O 2.86Å; F383-L388 HydrophobicContact CD1-CB 3.98Å; F383-L388 HydrophobicContact CD1-CD1 3.74Å; F383-L388 HydrophobicContact CE1-CD1 4.02Å; F383-L388 PolarHBondContact O-N 3.3Å; M386-L388 HydrophobicContact CB-CD1 3.9Å; M386-L388 HydrophobicContact CB-CG 3.94Å; M386-L388 PolarHBondContact O-N 3.32Å; L388-S390 PolarHBondContact O-N 3.2Å | ||
| 389 | G | 53.1 | Low | 68.1 | Low | 47 Ų | 47 | 64 Ų | 64 | 49% | 0.485 | 35% | 0.346 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.7 | 19.4 | -162.8 | 0 | 0 | 0 | 0 | 0 | 118 | G387 | G387-G389 PolarHBondContact O-N 2.83Š|
| 390 | S | 53.5 | Low | 69.7 | Low | 90 Ų | 90 | 59.5 Ų | 59.5 | 63% | 0.629 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -138.4 | 0.1 | -172.3 | 64.9 | 0 | 0 | 0 | 0 | 118 | L388 | L388-S390 PolarHBondContact O-N 3.2Š|
| 391 | K | 56.4 | Low | 71.4 | Confident | 129 Ų | 129 | 60.7 Ų | 60.7 | 56% | 0.561 | 34% | 0.336 | S | S | * | . | trans | -136.2 | 111.2 | -179.1 | -65.7 | -176.4 | -176.9 | 177.3 | 0 | 111.6 | Q393 | K391-Q393 PolarHBondContact O-N 3.38Å; K391-Q393 VanDerWaalsContact O-N 3.11Å | ||
| 392 | A | 58.6 | Low | 72.5 | Confident | 31 Ų | 31 | 56.8 Ų | 56.8 | 26% | 0.256 | 33% | 0.327 | S | S | . | . | trans | -59.6 | 114.2 | 164.4 | 0 | 0 | 0 | 0 | 0 | 108 | R492 | A392-R492 HydrophobicContact CB-CB 4.48Å; A392-R492 PolarHBondContact O-NH1 3.17Å | ||
| 393 | Q | 67.7 | Low | 73.5 | Confident | 95 Ų | 95 | 52.8 Ų | 52.8 | 44% | 0.444 | 31% | 0.31 | S | S | . | . | trans | -75 | 139.7 | 174.8 | -60.6 | -169.2 | -15.5 | 0 | 0 | 108.3 | K391 F496 D533 | K391-Q393 PolarHBondContact O-N 3.38Å; K391-Q393 VanDerWaalsContact O-N 3.11Å; Q393-F496 WeakPolarHBondContact O-CD2 3.31Å; Q393-F496 WeakPolarHBondContact O-CE2 3.29Å; Q393-D533 WeakPolarHBondContact CA-OD1 3.19Å; Q393-D533 VanDerWaalsContact CB-OD1 3.29Å; Q393-D533 WeakPolarHBondContact CB-OD1 3.45Å; Q393-D533 WeakPolarHBondContact CB-OD2 3.09Å; Q393-D533 WeakPolarHBondContact CG-OD2 3.41Å | ||
| 394 | G | 78.4 | Confident | 74.6 | Confident | 1 Ų | 1 | 52.2 Ų | 52.2 | 1% | 0.01 | 31% | 0.313 | C | S | . | . | trans | -108.3 | 146.5 | 174.9 | 0 | 0 | 0 | 0 | 0 | 109.5 | V497 R531 L532 D533 K534 | G394-V497 VanDerWaalsContact CA-O 3.31Å; G394-V497 WeakPolarHBondContact CA-O 3.42Å; G394-R531 WeakPolarHBondContact CA-O 3.4Å; G394-R531 PolarHBondContact N-O 3.43Å; G394-L532 CarbonylContact O-C 3.56Å; G394-L532 WeakPolarHBondContact O-CA 3.3Å; G394-D533 PolarHBondContact N-OD1 3.15Å; G394-D533 PolarHBondContact O-N 3.27Å; G394-D533 VanDerWaalsContact O-N 3.12Å; G394-K534 PolarHBondContact O-N 3.34Å; G394-K534 VanDerWaalsContact O-N 3.14Å | ||
| 395 | L | 86.2 | Confident | 75.7 | Confident | 1 Ų | 1 | 48.6 Ų | 48.6 | 1% | 0.005 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 130.5 | -169.1 | -174.9 | 127.6 | 0 | 0 | 0 | 112.3 | L359 L397 F496 V497 M498 A499 K534 L536 | L359-L395 HydrophobicContact CD2-CD1 3.6Å; L359-L395 HydrophobicContact CD2-CD2 3.27Å; L359-L395 HydrophobicContact CD2-CG 4.04Å; L395-L397 HydrophobicContact CD2-CD2 3.76Å; L395-L397 HydrophobicContact CD2-CG 3.82Å; L395-F496 HydrophobicContact CB-CE1 4.25Å; L395-F496 HydrophobicContact CB-CZ 4.04Å; L395-V497 PolarHBondContact N-O 3.24Å; L395-M498 HydrophobicContact CB-CG 4.5Å; L395-M498 HydrophobicContact CD2-CE 3.99Å; L395-M498 HydrophobicContact CD2-CG 4.5Å; L395-M498 CarbonylContact O-C 3.57Å; L395-M498 VanDerWaalsContact O-CA 3.29Å; L395-M498 WeakPolarHBondContact O-CA 3.29Å; L395-A499 PolarHBondContact O-N 2.78Å; L395-K534 CarbonylContact C-O 3.42Å; L395-K534 VanDerWaalsContact CA-O 3.31Å; L395-K534 WeakPolarHBondContact CA-O 3.2Å; L395-K534 HydrophobicContact CD1-CB 4.12Å; L395-K534 HydrophobicContact CD1-CD 4.06Å; L395-K534 HydrophobicContact CD1-CG 3.98Å; L395-L536 HydrophobicContact CD1-CD1 3.66Å; L395-L536 HydrophobicContact CD1-CG 3.89Å; L395-L536 HydrophobicContact CD2-CD1 4.35Å; L395-L536 HydrophobicContact CG-CD1 4.41Å; L395-L536 HydrophobicContact CG-CG 4.46Å |
| 396 | L | 87.7 | Confident | 76.5 | Confident | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 119.4 | 175.8 | -178.5 | 65.6 | 0 | 0 | 0 | 110.8 | I460 A499 T501 L527 L532 K534 I535 L536 | L396-I460 HydrophobicContact CD1-CG2 4.17Å; L396-A499 CarbonylContact C-O 3.59Å; L396-A499 WeakPolarHBondContact CA-O 3.4Å; L396-A499 HydrophobicContact CD1-CB 3.75Å; L396-T501 HydrophobicContact CD1-CG2 4.09Å; L396-L527 HydrophobicContact CD2-CD2 3.58Å; L396-L532 HydrophobicContact CB-CB 4.31Å; L396-L532 HydrophobicContact CB-CD1 4.31Å; L396-L532 HydrophobicContact CD1-CD1 4.22Å; L396-K534 PolarHBondContact N-O 3.48Å; L396-I535 HydrophobicContact CB-CG1 4.37Å; L396-I535 HydrophobicContact CD2-CG1 4.42Å; L396-I535 HydrophobicContact CD2-CG2 4.46Å; L396-I535 CarbonylContact O-C 3.56Å; L396-I535 WeakPolarHBondContact O-CA 3.38Å; L396-L536 PolarHBondContact O-N 3.21Å |
| 397 | L | 88.9 | Confident | 77.4 | Confident | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 113.4 | 171.7 | -63.9 | 173.9 | 0 | 0 | 0 | 110 | L359 L395 K405 F456 M498 A499 A500 T501 L536 V538 | L359-L397 HydrophobicContact CD1-CD2 4.14Å; L359-L397 HydrophobicContact CD2-CD2 4.41Å; L395-L397 HydrophobicContact CD2-CD2 3.76Å; L395-L397 HydrophobicContact CD2-CG 3.82Å; L397-K405 HydrophobicContact CB-CB 4.36Å; L397-K405 HydrophobicContact CB-CD 4.28Å; L397-K405 HydrophobicContact CB-CG 4.37Å; L397-K405 HydrophobicContact CD1-CB 4.26Å; L397-F456 HydrophobicContact CD1-CE2 4.24Å; L397-M498 HydrophobicContact CD1-CE 3.97Å; L397-A499 PolarHBondContact N-O 3.2Å; L397-A500 HydrophobicContact CB-CB 4.26Å; L397-A500 WeakPolarHBondContact O-CA 3.41Å; L397-T501 PolarHBondContact O-N 2.8Å; L397-L536 WeakPolarHBondContact CA-O 3.25Å; L397-L536 HydrophobicContact CD2-CB 4.05Å; L397-L536 HydrophobicContact CD2-CD1 4.49Å; L397-V538 HydrophobicContact CD2-CG2 4.18Å |
| 398 | C | 85.3 | Confident | 78.5 | Confident | 5 Ų | 5 | 35.7 Ų | 35.7 | 3% | 0.034 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 145.1 | 177.7 | -62.6 | 0 | 0 | 0 | 0 | 110.8 | T501 Y520 L536 Y537 V538 | C398-T501 HydrophobicContact CB-CG2 4.35Å; C398-Y520 HydrophobicContact CB-CE1 3.99Å; C398-Y520 WeakPolarHBondContact SG-CE1 3.13Å; C398-L536 PolarHBondContact N-O 2.87Å; C398-Y537 CarbonylContact O-C 3.55Å; C398-Y537 WeakPolarHBondContact O-CA 3.47Å; C398-V538 PolarHBondContact O-N 3.37Å |
| 399 | G | 85.1 | Confident | 79.7 | Confident | 1 Ų | 1 | 31.3 Ų | 31.3 | 1% | 0.01 | 20% | 0.2 | C | C | . | . | trans | 165.7 | -177.6 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | K405 V538 Y639 | G399-K405 VanDerWaalsContact CA-CE 3.43Å; G399-K405 VanDerWaalsContact N-CE 3.33Å; G399-K405 VanDerWaalsContact N-NZ 3.19Å; G399-K405 PolarHBondContact O-NZ 2.98Å; G399-V538 VanDerWaalsContact CA-O 3.26Å; G399-V538 WeakPolarHBondContact CA-O 3.24Å; G399-Y639 PolarHBondContact O-OH 2.66Å | ||
| 400 | P | 85.6 | Confident | 81.3 | Confident | 1 Ų | 1 | 32.2 Ų | 32.2 | 1% | 0.006 | 19% | 0.19 | C | C | . | . | trans | -65 | 159.8 | 171.7 | -0.4 | 13.8 | 0 | 0 | 0 | 111.5 | K405 V538 L540 I631 Y639 | P400-K405 WeakPolarHBondContact O-CE 3.4Å; P400-K405 PolarHBondContact O-NZ 3.1Å; P400-V538 WeakPolarHBondContact CD-O 3.34Å; P400-L540 HydrophobicContact CG-CD2 4.43Å; P400-L540 HydrophobicContact CG-CG 4.49Å; P400-I631 HydrophobicContact CB-CD1 3.51Å; P400-I631 HydrophobicContact CB-CG1 4.19Å; P400-I631 HydrophobicContact CG-CD1 4.17Å; P400-Y639 HydrophobicContact CB-CD2 4.5Å; P400-Y639 HydrophobicContact CB-CE2 4.06Å; P400-Y639 HydrophobicContact CG-CD2 4.38Å; P400-Y639 HydrophobicContact CG-CE2 4.35Å | ||
| 401 | P | 86.5 | Confident | 82.9 | Confident | 58 Ų | 58 | 27.9 Ų | 27.9 | 38% | 0.377 | 16% | 0.16 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.6 | 155.3 | 167.6 | 29.5 | -34.5 | 0 | 0 | 0 | 110.5 | C403 N502 | P401-C403 VanDerWaalsContact C-N 3.29Å; P401-C403 PolarHBondContact O-N 2.93Å; P401-N502 HydrophobicContact CB-CB 4.43Å |
| 402 | G | 84.6 | Confident | 84.3 | Confident | 34 Ų | 34 | 21.9 Ų | 21.9 | 35% | 0.351 | 13% | 0.134 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 75.7 | 5.8 | 175.2 | 0 | 0 | 0 | 0 | 0 | 116.2 | G582 A583 | G402-G582 PolarHBondContact O-N 3.38Å; G402-A583 PolarHBondContact O-N 2.89Å |
| 403 | C | 85.3 | Confident | 85.3 | Confident | 14 Ų | 14 | 20.5 Ų | 20.5 | 10% | 0.095 | 12% | 0.123 | C | C | . | . | S | Bend | trans | -92.6 | 13.9 | 179 | -58.8 | 0 | 0 | 0 | 0 | 114 | P401 V538 | P401-C403 VanDerWaalsContact C-N 3.29Å; P401-C403 PolarHBondContact O-N 2.93Å; C403-V538 HydrophobicContact CB-CG1 3.96Å |
| 404 | G | 85.4 | Confident | 85.9 | Confident | 23 Ų | 23 | 18.1 Ų | 18.1 | 24% | 0.237 | 11% | 0.113 | C | C | . | . | trans | 81.8 | 17 | 171 | 0 | 0 | 0 | 0 | 0 | 116.9 | T406 L407 I408 | G404-T406 VanDerWaalsContact C-N 3.28Å; G404-T406 PolarHBondContact O-N 2.94Å; G404-L407 WeakPolarHBondContact O-CA 3.32Å; G404-L407 WeakPolarHBondContact O-CB 3.22Å; G404-L407 PolarHBondContact O-N 3.32Å; G404-I408 WeakPolarHBondContact O-CG1 3.34Å; G404-I408 PolarHBondContact O-N 3.18Å | ||
| 405 | K | 88.7 | Confident | 85.7 | Confident | 6 Ų | 6 | 21.9 Ų | 21.9 | 3% | 0.026 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -53.5 | -43.6 | 179.1 | -58.7 | 175.9 | -156 | 156.7 | 0 | 113.3 | L397 G399 P400 L407 A409 A500 T501 N502 V538 | L397-K405 HydrophobicContact CB-CB 4.36Å; L397-K405 HydrophobicContact CB-CD 4.28Å; L397-K405 HydrophobicContact CB-CG 4.37Å; L397-K405 HydrophobicContact CD1-CB 4.26Å; G399-K405 VanDerWaalsContact CA-CE 3.43Å; G399-K405 VanDerWaalsContact N-CE 3.33Å; G399-K405 VanDerWaalsContact N-NZ 3.19Å; G399-K405 PolarHBondContact O-NZ 2.98Å; P400-K405 WeakPolarHBondContact O-CE 3.4Å; P400-K405 PolarHBondContact O-NZ 3.1Å; K405-L407 VanDerWaalsContact C-N 3.35Å; K405-A409 PolarHBondContact O-N 3.19Å; K405-A409 VanDerWaalsContact O-N 3.11Å; K405-A500 HydrophobicContact CB-CB 4.18Å; K405-A500 HydrophobicContact CD-CB 4.26Å; K405-T501 PolarHBondContact NZ-O 3.31Å; K405-N502 PolarHBondContact NZ-OD1 3.32Å; K405-V538 HydrophobicContact CG-CB 4.2Å; K405-V538 HydrophobicContact CG-CG1 4.43Å; K405-V538 HydrophobicContact CG-CG2 4.22Å |
| 406 | T | 88.2 | Confident | 84.8 | Confident | 40 Ų | 40 | 23.9 Ų | 23.9 | 25% | 0.245 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -68.2 | -33.2 | 176.3 | -43.7 | 0 | 0 | 0 | 0 | 112 | G404 K410 F456 D458 | G404-T406 VanDerWaalsContact C-N 3.28Å; G404-T406 PolarHBondContact O-N 2.94Å; T406-K410 VanDerWaalsContact O-CG 3.31Å; T406-K410 WeakPolarHBondContact O-CG 3.46Å; T406-K410 PolarHBondContact O-N 3.37Å; T406-F456 HydrophobicContact CG2-CE1 3.84Å; T406-D458 PolarHBondContact OG1-OD2 3.28Å |
| 407 | L | 89.7 | Confident | 83.8 | Confident | 78 Ų | 78 | 24.8 Ų | 24.8 | 41% | 0.408 | 15% | 0.154 | S | C | . | . | H | α-helix | trans | -70.3 | -43.7 | 176.4 | -66.7 | 175.5 | 0 | 0 | 0 | 111.3 | V344 V349 G404 K405 K410 A411 | V344-L407 HydrophobicContact CG1-CD2 4.5Å; V344-L407 HydrophobicContact CG2-CD2 4.4Å; V349-L407 HydrophobicContact CG2-CB 4.26Å; G404-L407 WeakPolarHBondContact O-CA 3.32Å; G404-L407 WeakPolarHBondContact O-CB 3.22Å; G404-L407 PolarHBondContact O-N 3.32Å; K405-L407 VanDerWaalsContact C-N 3.35Å; L407-K410 PolarHBondContact O-N 3.12Å; L407-A411 WeakPolarHBondContact O-CB 3.23Å; L407-A411 PolarHBondContact O-N 3.39Å |
| 408 | I | 90.1 | Very high | 83 | Confident | 3 Ų | 3 | 24.9 Ų | 24.9 | 2% | 0.015 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -60.6 | -48 | 177.3 | -64 | 162 | 0 | 0 | 0 | 110.2 | W346 V349 L352 L359 G404 K410 A411 I412 V538 | W346-I408 HydrophobicContact CH2-CG2 4.12Å; W346-I408 HydrophobicContact CZ3-CG2 4.44Å; V349-I408 HydrophobicContact CG1-CG1 4.06Å; L352-I408 HydrophobicContact CD1-CD1 3.43Å; L352-I408 VanDerWaalsContact CD1-CD1 3.43Å; L352-I408 HydrophobicContact CD1-CG1 4.38Å; L359-I408 HydrophobicContact CD1-CG2 3.35Å; G404-I408 WeakPolarHBondContact O-CG1 3.34Å; G404-I408 PolarHBondContact O-N 3.18Å; I408-K410 VanDerWaalsContact C-N 3.26Å; I408-K410 PolarHBondContact O-N 2.82Å; I408-A411 PolarHBondContact O-N 2.58Å; I408-I412 HydrophobicContact CG2-CD1 3.69Å; I408-I412 HydrophobicContact CG2-CG1 4.43Å; I408-I412 VanDerWaalsContact O-CD1 3.29Å; I408-I412 WeakPolarHBondContact O-CD1 3.36Å; I408-I412 VanDerWaalsContact O-CG1 3.29Å; I408-I412 WeakPolarHBondContact O-CG1 3.15Å; I408-I412 PolarHBondContact O-N 3.39Å; I408-V538 HydrophobicContact CD1-CG1 4.25Å; I408-V538 HydrophobicContact CD1-CG2 4.27Å |
| 409 | A | 88.7 | Confident | 82.5 | Confident | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -58 | -39.9 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | K405 A413 F420 F456 M498 | K405-A409 PolarHBondContact O-N 3.19Å; K405-A409 VanDerWaalsContact O-N 3.11Å; A409-A413 PolarHBondContact O-N 2.88Å; A409-F420 HydrophobicContact CB-CE2 4.13Å; A409-F420 HydrophobicContact CB-CZ 4.18Å; A409-F456 HydrophobicContact CB-CD1 4.42Å; A409-F456 HydrophobicContact CB-CD2 3.39Å; A409-F456 HydrophobicContact CB-CE1 4.44Å; A409-F456 HydrophobicContact CB-CE2 3.43Å; A409-F456 VanDerWaalsContact CB-CE2 3.43Å; A409-F456 HydrophobicContact CB-CG 3.92Å; A409-F456 HydrophobicContact CB-CZ 3.98Å; A409-M498 HydrophobicContact CB-CE 3.8Å; A409-M498 HydrophobicContact CB-SD 4.43Å |
| 410 | K | 88 | Confident | 82.4 | Confident | 66 Ų | 66 | 25.8 Ų | 25.8 | 29% | 0.287 | 16% | 0.158 | S | C | . | . | H | α-helix | trans | -67.3 | -46.7 | 174.6 | -73.8 | 175.6 | -179.5 | -177.4 | 0 | 112.1 | P342 V344 T406 L407 I408 I412 A413 N414 F420 | P342-K410 HydrophobicContact CB-CB 3.81Å; P342-K410 HydrophobicContact CB-CD 4.35Å; P342-K410 HydrophobicContact CB-CG 3.89Å; P342-K410 HydrophobicContact CG-CB 3.91Å; P342-K410 HydrophobicContact CG-CG 4.29Å; P342-K410 WeakPolarHBondContact CG-O 3.5Å; V344-K410 HydrophobicContact CB-CB 4.04Å; V344-K410 HydrophobicContact CG2-CB 4.18Å; V344-K410 HydrophobicContact CG2-CD 4.12Å; T406-K410 VanDerWaalsContact O-CG 3.31Å; T406-K410 WeakPolarHBondContact O-CG 3.46Å; T406-K410 PolarHBondContact O-N 3.37Å; L407-K410 PolarHBondContact O-N 3.12Å; I408-K410 VanDerWaalsContact C-N 3.26Å; I408-K410 PolarHBondContact O-N 2.82Å; K410-I412 VanDerWaalsContact C-N 3.32Å; K410-I412 PolarHBondContact O-N 2.97Å; K410-A413 PolarHBondContact O-N 3.19Å; K410-N414 PolarHBondContact O-N 2.97Å; K410-F420 HydrophobicContact CG-CD1 4.34Å; K410-F420 HydrophobicContact CG-CE1 3.67Å; K410-F420 HydrophobicContact CG-CZ 3.9Å |
| 411 | A | 86.9 | Confident | 82.4 | Confident | 0 Ų | 0 | 26.1 Ų | 26.1 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -59.6 | -41.3 | -179.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | V344 W346 V349 L407 I408 N414 E415 | V344-A411 HydrophobicContact CG1-CB 4.37Å; W346-A411 HydrophobicContact CD2-CB 3.82Å; W346-A411 HydrophobicContact CE3-CB 3.94Å; W346-A411 HydrophobicContact CG-CB 4.33Å; W346-A411 HydrophobicContact CZ2-CB 4.44Å; W346-A411 HydrophobicContact CZ3-CB 4.27Å; V349-A411 HydrophobicContact CG2-CB 3.85Å; L407-A411 WeakPolarHBondContact O-CB 3.23Å; L407-A411 PolarHBondContact O-N 3.39Å; I408-A411 PolarHBondContact O-N 2.58Å; A411-N414 PolarHBondContact O-N 3.36Å; A411-E415 PolarHBondContact O-N 3.5Å |
| 412 | I | 84 | Confident | 82.5 | Confident | 3 Ų | 3 | 25.8 Ų | 25.8 | 2% | 0.015 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -66.9 | -40.8 | 177.2 | -57.4 | 149.1 | 0 | 0 | 0 | 111.5 | W346 L359 I363 I408 K410 N414 E415 S416 M498 | W346-I412 HydrophobicContact CH2-CD1 4.27Å; W346-I412 HydrophobicContact CH2-CG1 3.57Å; W346-I412 HydrophobicContact CZ2-CB 4.2Å; W346-I412 HydrophobicContact CZ2-CD1 4.36Å; W346-I412 HydrophobicContact CZ2-CG1 3.24Å; L359-I412 HydrophobicContact CB-CD1 3.48Å; L359-I412 VanDerWaalsContact CB-CD1 3.48Å; L359-I412 HydrophobicContact CB-CG1 4.18Å; L359-I412 HydrophobicContact CD1-CD1 3.39Å; L359-I412 HydrophobicContact CD2-CD1 4Å; L359-I412 HydrophobicContact CG-CD1 3.78Å; I363-I412 HydrophobicContact CB-CG2 4.25Å; I363-I412 HydrophobicContact CD1-CB 4.21Å; I363-I412 HydrophobicContact CD1-CD1 4.34Å; I363-I412 HydrophobicContact CD1-CG2 3.36Å; I363-I412 HydrophobicContact CG1-CG2 4.37Å; I363-I412 HydrophobicContact CG2-CG2 4.28Å; I408-I412 HydrophobicContact CG2-CD1 3.69Å; I408-I412 HydrophobicContact CG2-CG1 4.43Å; I408-I412 VanDerWaalsContact O-CD1 3.29Å; I408-I412 WeakPolarHBondContact O-CD1 3.36Å; I408-I412 VanDerWaalsContact O-CG1 3.29Å; I408-I412 WeakPolarHBondContact O-CG1 3.15Å; I408-I412 PolarHBondContact O-N 3.39Å; K410-I412 VanDerWaalsContact C-N 3.32Å; K410-I412 PolarHBondContact O-N 2.97Å; I412-N414 VanDerWaalsContact C-N 3.28Å; I412-N414 PolarHBondContact O-N 2.92Å; I412-E415 PolarHBondContact O-N 2.9Å; I412-S416 VanDerWaalsContact O-CB 3.27Å; I412-S416 WeakPolarHBondContact O-CB 3.29Å; I412-S416 PolarHBondContact O-N 3.09Å; I412-S416 PolarHBondContact O-OG 3.42Å; I412-M498 HydrophobicContact CD1-CE 4.2Å |
| 413 | A | 80.9 | Confident | 82.7 | Confident | 2 Ų | 2 | 24.6 Ų | 24.6 | 2% | 0.017 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -64 | -37.3 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | P342 A409 K410 S416 G417 I418 F420 | P342-A413 HydrophobicContact CG-CB 4.02Å; A409-A413 PolarHBondContact O-N 2.88Å; K410-A413 PolarHBondContact O-N 3.19Å; A413-S416 WeakPolarHBondContact CA-OG 3.29Å; A413-S416 PolarHBondContact O-OG 2.73Å; A413-G417 PolarHBondContact O-N 2.91Å; A413-I418 PolarHBondContact O-N 3.24Å; A413-I418 VanDerWaalsContact O-N 3.08Å; A413-F420 HydrophobicContact CB-CB 3.8Å; A413-F420 HydrophobicContact CB-CD2 3.47Å; A413-F420 VanDerWaalsContact CB-CD2 3.47Å; A413-F420 HydrophobicContact CB-CE2 4.28Å; A413-F420 HydrophobicContact CB-CG 3.91Å |
| 414 | N | 79.8 | Confident | 82.7 | Confident | 45 Ų | 45 | 29.1 Ų | 29.1 | 24% | 0.241 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -66.7 | -50.8 | 173.6 | -166.9 | -12 | 0 | 0 | 0 | 112 | V341 P342 V344 K410 A411 I412 S416 G417 | V341-N414 HydrophobicContact CG1-CB 4.39Å; P342-N414 HydrophobicContact CG-CB 4.24Å; P342-N414 VanDerWaalsContact O-CG 3.3Å; P342-N414 PolarHBondContact O-ND2 3.09Å; V344-N414 WeakPolarHBondContact O-CB 3.4Å; V344-N414 PolarHBondContact O-ND2 3.13Å; K410-N414 PolarHBondContact O-N 2.97Å; A411-N414 PolarHBondContact O-N 3.36Å; I412-N414 VanDerWaalsContact C-N 3.28Å; I412-N414 PolarHBondContact O-N 2.92Å; N414-S416 VanDerWaalsContact C-N 3.26Å; N414-S416 PolarHBondContact O-N 2.98Å; N414-G417 PolarHBondContact O-N 3.29Å |
| 415 | E | 73.5 | Confident | 82.5 | Confident | 80 Ų | 80 | 28 Ų | 28 | 37% | 0.374 | 15% | 0.151 | S | C | . | . | H | α-helix | trans | -61.7 | -35.4 | -179.9 | -171.2 | -173.3 | -137.7 | 0 | 0 | 112.5 | W346 R356 Q360 A411 I412 G417 | W346-E415 PolarHBondContact NE1-OE1 3.36Å; W346-E415 PolarHBondContact NE1-OE2 2.87Å; R356-E415 IonicContact NH2-OE1 2.93Å; R356-E415 PolarHBondContact NH2-OE1 2.74Å; Q360-E415 PolarHBondContact NE2-OE1 2.95Å; Q360-E415 PolarHBondContact NE2-OE2 3.06Å; A411-E415 PolarHBondContact O-N 3.5Å; I412-E415 PolarHBondContact O-N 2.9Å; E415-G417 VanDerWaalsContact C-N 3.28Å; E415-G417 PolarHBondContact O-N 3.46Å |
| 416 | S | 68.7 | Low | 82.2 | Confident | 43 Ų | 43 | 31.1 Ų | 31.1 | 30% | 0.301 | 17% | 0.172 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78.1 | -11.3 | 176.8 | 61.4 | 0 | 0 | 0 | 0 | 113.9 | I412 A413 N414 I418 | I412-S416 VanDerWaalsContact O-CB 3.27Å; I412-S416 WeakPolarHBondContact O-CB 3.29Å; I412-S416 PolarHBondContact O-N 3.09Å; I412-S416 PolarHBondContact O-OG 3.42Å; A413-S416 WeakPolarHBondContact CA-OG 3.29Å; A413-S416 PolarHBondContact O-OG 2.73Å; N414-S416 VanDerWaalsContact C-N 3.26Å; N414-S416 PolarHBondContact O-N 2.98Å; S416-I418 VanDerWaalsContact C-N 3.26Å; S416-I418 WeakPolarHBondContact O-CG1 3.48Å; S416-I418 PolarHBondContact O-N 2.93Å; S416-I418 WeakPolarHBondContact OG-CD1 3.37Å; S416-I418 VanDerWaalsContact OG-CG1 3.32Å; S416-I418 WeakPolarHBondContact OG-CG1 3.06Å |
| 417 | G | 65.5 | Low | 82 | Confident | 18 Ų | 18 | 34.7 Ų | 34.7 | 19% | 0.186 | 19% | 0.186 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 60.1 | 36.5 | -175.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | A413 N414 E415 | A413-G417 PolarHBondContact O-N 2.91Å; N414-G417 PolarHBondContact O-N 3.29Å; E415-G417 VanDerWaalsContact C-N 3.28Å; E415-G417 PolarHBondContact O-N 3.46Å |
| 418 | I | 71.9 | Confident | 81.6 | Confident | 3 Ų | 3 | 31.3 Ų | 31.3 | 2% | 0.015 | 17% | 0.168 | C | C | . | . | trans | -108.3 | 144.7 | -176.4 | -56.1 | 175.2 | 0 | 0 | 0 | 109.4 | I363 V367 A413 S416 F420 P452 V454 | I363-I418 HydrophobicContact CG2-CD1 4.11Å; V367-I418 HydrophobicContact CB-CD1 4.04Å; V367-I418 HydrophobicContact CG1-CD1 3.7Å; V367-I418 HydrophobicContact CG1-CG1 4.49Å; V367-I418 HydrophobicContact CG2-CD1 3.32Å; A413-I418 PolarHBondContact O-N 3.24Å; A413-I418 VanDerWaalsContact O-N 3.08Å; S416-I418 VanDerWaalsContact C-N 3.26Å; S416-I418 WeakPolarHBondContact O-CG1 3.48Å; S416-I418 PolarHBondContact O-N 2.93Å; S416-I418 WeakPolarHBondContact OG-CD1 3.37Å; S416-I418 VanDerWaalsContact OG-CG1 3.32Å; S416-I418 WeakPolarHBondContact OG-CG1 3.06Å; I418-F420 PolarHBondContact O-N 2.87Å; I418-P452 HydrophobicContact CG2-CB 4.28Å; I418-P452 WeakPolarHBondContact CG2-O 3.34Å; I418-V454 HydrophobicContact CB-CG2 4.45Å; I418-V454 HydrophobicContact CG2-CG2 4.03Å | ||
| 419 | N | 75.1 | Confident | 81.1 | Confident | 14 Ų | 14 | 34.6 Ų | 34.6 | 8% | 0.075 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -57.4 | 130.4 | 172.7 | -75.5 | -22.7 | 0 | 0 | 0 | 110.9 | D177 A339 S450 P452 C453 V454 | D177-N419 VanDerWaalsContact CG-ND2 3.34Å; D177-N419 PolarHBondContact OD1-ND2 2.74Å; D177-N419 VanDerWaalsContact OD1-ND2 3.13Å; D177-N419 PolarHBondContact OD2-ND2 2.73Å; A339-N419 HydrophobicContact CB-CB 3.55Å; N419-S450 PolarHBondContact ND2-O 2.88Å; N419-P452 WeakPolarHBondContact CB-O 3.28Å; N419-P452 PolarHBondContact N-O 3.11Å; N419-C453 HydrophobicContact CB-CB 4.21Å; N419-C453 CarbonylContact O-C 3.6Å; N419-C453 VanDerWaalsContact O-CA 3.29Å; N419-C453 WeakPolarHBondContact O-CA 3.45Å; N419-C453 PolarHBondContact O-SG 3.22Å; N419-C453 VanDerWaalsContact O-SG 3.36Å; N419-V454 PolarHBondContact O-N 3.11Å |
| 420 | F | 83 | Confident | 80.6 | Confident | 10 Ų | 10 | 38.6 Ų | 38.6 | 4% | 0.044 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 125 | -179 | -173.4 | -106 | 0 | 0 | 0 | 110.8 | A339 T340 P342 A409 K410 A413 I418 V454 F456 | A339-F420 WeakPolarHBondContact CA-O 3.41Å; T340-F420 PolarHBondContact N-O 2.94Å; T340-F420 WeakPolarHBondContact O-CB 3.33Å; T340-F420 PolarHBondContact O-N 3.33Å; P342-F420 HydrophobicContact CG-CB 4.32Å; P342-F420 HydrophobicContact CG-CD1 4.48Å; P342-F420 HydrophobicContact CG-CG 4.41Å; A409-F420 HydrophobicContact CB-CE2 4.13Å; A409-F420 HydrophobicContact CB-CZ 4.18Å; K410-F420 HydrophobicContact CG-CD1 4.34Å; K410-F420 HydrophobicContact CG-CE1 3.67Å; K410-F420 HydrophobicContact CG-CZ 3.9Å; A413-F420 HydrophobicContact CB-CB 3.8Å; A413-F420 HydrophobicContact CB-CD2 3.47Å; A413-F420 VanDerWaalsContact CB-CD2 3.47Å; A413-F420 HydrophobicContact CB-CE2 4.28Å; A413-F420 HydrophobicContact CB-CG 3.91Å; I418-F420 PolarHBondContact O-N 2.87Å; F420-V454 HydrophobicContact CD2-CB 4.23Å; F420-V454 HydrophobicContact CD2-CG1 4.12Å; F420-V454 HydrophobicContact CE2-CG1 4.29Å; F420-F456 HydrophobicContact CD2-CB 4.44Å; F420-F456 HydrophobicContact CE1-CB 4.34Å; F420-F456 HydrophobicContact CE2-CB 3.44Å; F420-F456 VanDerWaalsContact CE2-CB 3.44Å; F420-F456 HydrophobicContact CE2-CG 4.07Å; F420-F456 HydrophobicContact CZ-CB 3.37Å; F420-F456 AromaticContact CZ-CD1 3.89Å; F420-F456 HydrophobicContact CZ-CD1 3.89Å; F420-F456 AromaticContact CZ-CG 3.72Å; F420-F456 HydrophobicContact CZ-CG 3.72Å |
| 421 | I | 85.7 | Confident | 79.7 | Confident | 9 Ų | 9 | 44.6 Ų | 44.6 | 5% | 0.046 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 111.7 | 171.8 | -61.6 | 174.6 | 0 | 0 | 0 | 107.4 | A339 V423 V443 R446 A447 C453 V454 I455 F456 | A339-I421 HydrophobicContact CB-CD1 4.05Å; A339-I421 HydrophobicContact CB-CG1 3.42Å; A339-I421 VanDerWaalsContact CB-CG1 3.42Å; I421-V423 HydrophobicContact CG2-CG2 3.88Å; I421-V443 HydrophobicContact CG2-CG1 4.44Å; I421-R446 HydrophobicContact CD1-CB 4.32Å; I421-A447 HydrophobicContact CD1-CB 3.83Å; I421-C453 VanDerWaalsContact CD1-SG 3.51Å; I421-C453 VanDerWaalsContact CG1-SG 3.58Å; I421-V454 PolarHBondContact N-O 3.07Å; I421-I455 CarbonylContact O-C 3.49Å; I421-F456 PolarHBondContact O-N 3.22Å |
| 422 | S | 88.5 | Confident | 79.1 | Confident | 50 Ų | 50 | 52.5 Ų | 52.5 | 35% | 0.35 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 125.8 | 171.9 | -166.2 | 0 | 0 | 0 | 0 | 109 | ||
| 423 | V | 88.4 | Confident | 78.6 | Confident | 9 Ų | 9 | 58.1 Ų | 58.1 | 6% | 0.055 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 123.9 | 173.3 | -175.8 | 0 | 0 | 0 | 0 | 107.9 | I421 L428 V443 F456 F457 D458 | I421-V423 HydrophobicContact CG2-CG2 3.88Å; V423-L428 HydrophobicContact CG1-CD1 3.54Å; V423-L428 HydrophobicContact CG1-CD2 4.04Å; V423-L428 HydrophobicContact CG1-CG 3.56Å; V423-V443 HydrophobicContact CG2-CG1 3.75Å; V423-V443 HydrophobicContact CG2-CG2 3.96Å; V423-F456 PolarHBondContact N-O 3.19Å; V423-F457 HydrophobicContact CB-CD1 4.04Å; V423-F457 HydrophobicContact CB-CE1 4.21Å; V423-F457 HydrophobicContact CG1-CD1 4.31Å; V423-F457 HydrophobicContact CG1-CE1 4.36Å; V423-F457 HydrophobicContact CG2-CE1 4.49Å; V423-F457 WeakPolarHBondContact O-CA 3.49Å; V423-D458 PolarHBondContact O-N 3.01Å |
| 424 | K | 86.6 | Confident | 78.5 | Confident | 109 Ų | 109 | 59.7 Ų | 59.7 | 47% | 0.474 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 142.3 | 174.4 | -56.8 | -179.1 | -173.2 | 167.1 | 0 | 109.7 | E427 | K424-E427 HydrophobicContact CB-CG 3.97Å; K424-E427 WeakPolarHBondContact CD-OE1 3.37Å; K424-E427 PolarHBondContact N-OE2 3.3Å; K424-E427 VanDerWaalsContact N-OE2 3.08Å; K424-E427 WeakPolarHBondContact O-CB 3.21Å; K424-E427 PolarHBondContact O-N 2.9Å |
| 425 | G | 81.1 | Confident | 78.7 | Confident | 0 Ų | 0 | 61.7 Ų | 61.7 | 0% | 0 | 33% | 0.327 | C | S | . | . | G | 310 helix | trans | -46.4 | -52 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | E427 L428 D458 L463 | G425-E427 VanDerWaalsContact C-N 3.25Å; G425-E427 PolarHBondContact O-N 3.41Å; G425-L428 PolarHBondContact O-N 3.29Å; G425-D458 PolarHBondContact N-O 3.34Å; G425-L463 VanDerWaalsContact O-CD2 3.28Å; G425-L463 WeakPolarHBondContact O-CD2 3.42Å |
| 426 | P | 81.8 | Confident | 79.2 | Confident | 72 Ų | 72 | 58.4 Ų | 58.4 | 47% | 0.468 | 31% | 0.314 | S | S | . | . | G | 310 helix | trans | -61.8 | -24.5 | 179.1 | -25.9 | 35.8 | 0 | 0 | 0 | 115.5 | L428 L429 | P426-L428 VanDerWaalsContact C-N 3.27Å; P426-L428 PolarHBondContact O-N 3.42Å; P426-L429 PolarHBondContact O-N 3.19Å |
| 427 | E | 83.1 | Confident | 80 | Confident | 114 Ų | 114 | 58.3 Ų | 58.3 | 53% | 0.533 | 31% | 0.308 | S | S | . | . | G | 310 helix | trans | -71.8 | -21 | -177.3 | -68.8 | 168.6 | 177.8 | 0 | 0 | 113 | K424 G425 | K424-E427 HydrophobicContact CB-CG 3.97Å; K424-E427 WeakPolarHBondContact CD-OE1 3.37Å; K424-E427 PolarHBondContact N-OE2 3.3Å; K424-E427 VanDerWaalsContact N-OE2 3.08Å; K424-E427 WeakPolarHBondContact O-CB 3.21Å; K424-E427 PolarHBondContact O-N 2.9Å; G425-E427 VanDerWaalsContact C-N 3.25Å; G425-E427 PolarHBondContact O-N 3.41Å |
| 428 | L | 82.9 | Confident | 80.9 | Confident | 8 Ų | 8 | 63.4 Ų | 63.4 | 4% | 0.042 | 32% | 0.322 | C | S | . | . | G | 310 helix | trans | -94 | -11 | 177.3 | -66.8 | 175.6 | 0 | 0 | 0 | 113 | V423 G425 P426 N430 S436 A439 V440 V443 F457 L463 L478 | V423-L428 HydrophobicContact CG1-CD1 3.54Å; V423-L428 HydrophobicContact CG1-CD2 4.04Å; V423-L428 HydrophobicContact CG1-CG 3.56Å; G425-L428 PolarHBondContact O-N 3.29Å; P426-L428 VanDerWaalsContact C-N 3.27Å; P426-L428 PolarHBondContact O-N 3.42Å; L428-N430 PolarHBondContact O-N 3.1Å; L428-S436 WeakPolarHBondContact O-CA 3.4Å; L428-S436 WeakPolarHBondContact O-CB 3.22Å; L428-S436 PolarHBondContact O-OG 3.48Å; L428-A439 HydrophobicContact CD2-CB 3.69Å; L428-V440 HydrophobicContact CD1-CG2 4Å; L428-V440 HydrophobicContact CD2-CG2 4.43Å; L428-V443 HydrophobicContact CD2-CG2 4.17Å; L428-F457 HydrophobicContact CD1-CD1 4.41Å; L428-F457 HydrophobicContact CD1-CE1 4.03Å; L428-L463 HydrophobicContact CB-CD2 3.72Å; L428-L463 HydrophobicContact CD1-CD1 3.88Å; L428-L463 HydrophobicContact CD1-CD2 4.38Å; L428-L478 HydrophobicContact CB-CD1 4.16Å |
| 429 | L | 78.6 | Confident | 81.5 | Confident | 71 Ų | 71 | 64.4 Ų | 64.4 | 37% | 0.372 | 33% | 0.33 | S | S | . | . | trans | -88 | 107.2 | -179.8 | -68.8 | 172 | 0 | 0 | 0 | 109.8 | P426 L463 | P426-L429 PolarHBondContact O-N 3.19Å; L429-L463 HydrophobicContact CD2-CD2 3.96Å; L429-L463 HydrophobicContact CG-CD2 3.84Å | ||
| 430 | N | 78 | Confident | 82.2 | Confident | 84 Ų | 84 | 63.8 Ų | 63.8 | 45% | 0.449 | 33% | 0.327 | S | S | . | . | trans | -116.8 | 150.7 | 171.1 | -82.5 | -0.9 | 0 | 0 | 0 | 109.1 | L428 Y432 E435 S436 | L428-N430 PolarHBondContact O-N 3.1Å; N430-Y432 VanDerWaalsContact C-N 3.29Å; N430-E435 HydrophobicContact CB-CB 4.16Å; N430-E435 PolarHBondContact ND2-OE2 3.37Å; N430-S436 PolarHBondContact N-OG 3.23Å; N430-S436 PolarHBondContact O-OG 2.9Å | ||
| 431 | M | 70.4 | Confident | 82.3 | Confident | 193 Ų | 193 | 68 Ų | 68 | 95% | 0.951 | 34% | 0.343 | S | S | * | . | S | Bend | trans | -75.3 | -21.8 | 176.4 | -58.5 | -163.6 | 83.7 | 0 | 0 | 112.5 | ||
| 432 | Y | 74.3 | Confident | 82.1 | Confident | 166 Ų | 166 | 69.8 Ų | 69.8 | 65% | 0.651 | 35% | 0.351 | S | S | * | . | S | Bend | trans | -75.7 | 128.5 | -180 | -65.1 | -80.8 | 0 | 0 | 0 | 111.7 | N430 G434 E435 | N430-Y432 VanDerWaalsContact C-N 3.29Å; Y432-G434 PolarHBondContact O-N 3.15Å; Y432-E435 WeakPolarHBondContact CB-OE2 3.29Å; Y432-E435 PolarHBondContact O-N 3.17Å |
| 433 | V | 73.3 | Confident | 82 | Confident | 121 Ų | 121 | 68 Ų | 68 | 73% | 0.733 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.6 | 126.7 | -179 | -177.8 | 0 | 0 | 0 | 0 | 110.2 | E435 | V433-E435 VanDerWaalsContact C-N 3.31Å; V433-E435 PolarHBondContact O-N 3.44Å |
| 434 | G | 78.9 | Confident | 81.9 | Confident | 34 Ų | 34 | 67.8 Ų | 67.8 | 35% | 0.351 | 34% | 0.336 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 87.3 | -19.5 | 175.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | Y432 E437 R438 | Y432-G434 PolarHBondContact O-N 3.15Å; G434-E437 PolarHBondContact O-N 3.34Å; G434-R438 WeakPolarHBondContact O-CB 3.49Å; G434-R438 PolarHBondContact O-N 3.02Å |
| 435 | E | 82.4 | Confident | 81.5 | Confident | 87 Ų | 87 | 66.1 Ų | 66.1 | 41% | 0.407 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -64 | -44.6 | 176 | -71.8 | -167.5 | 168.6 | 0 | 0 | 111.8 | N430 Y432 V433 E437 R438 A439 | N430-E435 HydrophobicContact CB-CB 4.16Å; N430-E435 PolarHBondContact ND2-OE2 3.37Å; Y432-E435 WeakPolarHBondContact CB-OE2 3.29Å; Y432-E435 PolarHBondContact O-N 3.17Å; V433-E435 VanDerWaalsContact C-N 3.31Å; V433-E435 PolarHBondContact O-N 3.44Å; E435-E437 VanDerWaalsContact C-N 3.34Å; E435-E437 PolarHBondContact O-N 3.26Å; E435-R438 WeakPolarHBondContact O-CB 3.49Å; E435-R438 PolarHBondContact O-N 3.49Å; E435-A439 WeakPolarHBondContact O-CB 3.25Å; E435-A439 PolarHBondContact O-N 3.36Å |
| 436 | S | 85.2 | Confident | 81.3 | Confident | 12 Ų | 12 | 69.4 Ų | 69.4 | 8% | 0.084 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -59.7 | -41.7 | 177.3 | -67.6 | 0 | 0 | 0 | 0 | 112.9 | L428 N430 A439 V440 | L428-S436 WeakPolarHBondContact O-CA 3.4Å; L428-S436 WeakPolarHBondContact O-CB 3.22Å; L428-S436 PolarHBondContact O-OG 3.48Å; N430-S436 PolarHBondContact N-OG 3.23Å; N430-S436 PolarHBondContact O-OG 2.9Å; S436-A439 PolarHBondContact O-N 2.94Å; S436-V440 WeakPolarHBondContact O-CG2 3.38Å; S436-V440 PolarHBondContact O-N 3.29Å; S436-V440 VanDerWaalsContact O-N 3.14Å |
| 437 | E | 85.7 | Confident | 81.2 | Confident | 41 Ų | 41 | 66 Ų | 66 | 19% | 0.192 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -66.1 | -42.5 | 175.3 | -66.3 | 175.8 | -150.7 | 0 | 0 | 111.7 | G434 E435 A439 V440 R441 R477 Q481 | G434-E437 PolarHBondContact O-N 3.34Å; E435-E437 VanDerWaalsContact C-N 3.34Å; E435-E437 PolarHBondContact O-N 3.26Å; E437-A439 VanDerWaalsContact C-N 3.32Å; E437-A439 PolarHBondContact O-N 3.41Å; E437-V440 PolarHBondContact O-N 3.4Å; E437-R441 WeakPolarHBondContact O-CG 3.46Å; E437-R441 PolarHBondContact O-N 3.09Å; E437-R441 IonicContact OE2-NH2 3.55Å; E437-R441 PolarHBondContact OE2-NH2 2.99Å; E437-R477 WeakPolarHBondContact OE1-CB 3.5Å; E437-Q481 HydrophobicContact CB-CB 4.38Å; E437-Q481 HydrophobicContact CB-CG 4.16Å; E437-Q481 HydrophobicContact CG-CB 4.16Å; E437-Q481 HydrophobicContact CG-CG 4.47Å |
| 438 | R | 83.7 | Confident | 80.9 | Confident | 125 Ų | 125 | 62.6 Ų | 62.6 | 47% | 0.472 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -61.8 | -41.4 | 176.5 | -178.6 | 178.9 | 176.7 | 152.1 | 2.7 | 111 | G434 E435 R441 Q442 | G434-R438 WeakPolarHBondContact O-CB 3.49Å; G434-R438 PolarHBondContact O-N 3.02Å; E435-R438 WeakPolarHBondContact O-CB 3.49Å; E435-R438 PolarHBondContact O-N 3.49Å; R438-R441 PolarHBondContact O-N 3.36Å; R438-Q442 HydrophobicContact CG-CG 4.44Å; R438-Q442 WeakPolarHBondContact O-CB 3.34Å; R438-Q442 WeakPolarHBondContact O-CG 3.44Å; R438-Q442 PolarHBondContact O-N 2.91Å |
| 439 | A | 85.6 | Confident | 80.4 | Confident | 23 Ų | 23 | 63.4 Ų | 63.4 | 19% | 0.19 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -61.3 | -45.2 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | L428 E435 S436 E437 R441 Q442 V443 | L428-A439 HydrophobicContact CD2-CB 3.69Å; E435-A439 WeakPolarHBondContact O-CB 3.25Å; E435-A439 PolarHBondContact O-N 3.36Å; S436-A439 PolarHBondContact O-N 2.94Å; E437-A439 VanDerWaalsContact C-N 3.32Å; E437-A439 PolarHBondContact O-N 3.41Å; A439-R441 PolarHBondContact O-N 2.89Å; A439-Q442 PolarHBondContact O-N 3.06Å; A439-V443 WeakPolarHBondContact O-CG2 3.16Å; A439-V443 PolarHBondContact O-N 3.29Å |
| 440 | V | 88.1 | Confident | 80 | Confident | 1 Ų | 1 | 60.1 Ų | 60.1 | 1% | 0.006 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -58.8 | -48.8 | 174.5 | 174 | 0 | 0 | 0 | 0 | 111 | L428 S436 E437 Q442 V443 F444 L478 Q481 L482 E485 | L428-V440 HydrophobicContact CD1-CG2 4Å; L428-V440 HydrophobicContact CD2-CG2 4.43Å; S436-V440 WeakPolarHBondContact O-CG2 3.38Å; S436-V440 PolarHBondContact O-N 3.29Å; S436-V440 VanDerWaalsContact O-N 3.14Å; E437-V440 PolarHBondContact O-N 3.4Å; V440-Q442 VanDerWaalsContact C-N 3.29Å; V440-Q442 PolarHBondContact O-N 3.45Å; V440-V443 PolarHBondContact O-N 3.24Å; V440-F444 HydrophobicContact CG1-CD2 4.12Å; V440-F444 HydrophobicContact CG1-CE2 4.12Å; V440-F444 WeakPolarHBondContact O-CD2 3.27Å; V440-F444 PolarHBondContact O-N 3.2Å; V440-L478 HydrophobicContact CG2-CD1 3.98Å; V440-L478 HydrophobicContact CG2-CG 4.09Å; V440-Q481 HydrophobicContact CB-CG 4.36Å; V440-Q481 HydrophobicContact CG1-CG 4.27Å; V440-L482 HydrophobicContact CG1-CB 4.38Å; V440-L482 HydrophobicContact CG1-CD1 4.01Å; V440-E485 HydrophobicContact CG1-CG 4.32Å |
| 441 | R | 85.9 | Confident | 79.6 | Confident | 99 Ų | 99 | 56.3 Ų | 56.3 | 37% | 0.374 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -57.5 | -43.5 | 176.6 | -68.4 | 178.8 | -169.9 | 136.1 | 10.2 | 111.7 | E437 R438 A439 F444 Q445 Q481 | E437-R441 WeakPolarHBondContact O-CG 3.46Å; E437-R441 PolarHBondContact O-N 3.09Å; E437-R441 IonicContact OE2-NH2 3.55Å; E437-R441 PolarHBondContact OE2-NH2 2.99Å; R438-R441 PolarHBondContact O-N 3.36Å; A439-R441 PolarHBondContact O-N 2.89Å; R441-F444 PolarHBondContact O-N 2.96Å; R441-Q445 WeakPolarHBondContact O-CB 3.25Å; R441-Q445 VanDerWaalsContact O-CG 3.25Å; R441-Q445 WeakPolarHBondContact O-CG 3.41Å; R441-Q445 PolarHBondContact O-N 2.77Å; R441-Q481 HydrophobicContact CG-CG 4.22Å; R441-Q481 VanDerWaalsContact CG-NE2 3.27Å |
| 442 | Q | 81.4 | Confident | 79.6 | Confident | 47 Ų | 47 | 47.8 Ų | 47.8 | 22% | 0.22 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -63.3 | -40.8 | 178.5 | -77.1 | 178.9 | -16.2 | 0 | 0 | 112.4 | R438 A439 V440 Q445 R446 | R438-Q442 HydrophobicContact CG-CG 4.44Å; R438-Q442 WeakPolarHBondContact O-CB 3.34Å; R438-Q442 WeakPolarHBondContact O-CG 3.44Å; R438-Q442 PolarHBondContact O-N 2.91Å; A439-Q442 PolarHBondContact O-N 3.06Å; V440-Q442 VanDerWaalsContact C-N 3.29Å; V440-Q442 PolarHBondContact O-N 3.45Å; Q442-Q445 PolarHBondContact O-N 2.89Å; Q442-R446 WeakPolarHBondContact O-CB 3.49Å; Q442-R446 VanDerWaalsContact O-CG 3.22Å; Q442-R446 WeakPolarHBondContact O-CG 3.23Å; Q442-R446 PolarHBondContact O-N 3.35Å |
| 443 | V | 86.3 | Confident | 79.8 | Confident | 11 Ų | 11 | 39.9 Ų | 39.9 | 7% | 0.067 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -59.1 | -48.7 | 175.6 | 168.7 | 0 | 0 | 0 | 0 | 111.1 | I421 V423 L428 A439 V440 Q445 R446 A447 I455 F457 | I421-V443 HydrophobicContact CG2-CG1 4.44Å; V423-V443 HydrophobicContact CG2-CG1 3.75Å; V423-V443 HydrophobicContact CG2-CG2 3.96Å; L428-V443 HydrophobicContact CD2-CG2 4.17Å; A439-V443 WeakPolarHBondContact O-CG2 3.16Å; A439-V443 PolarHBondContact O-N 3.29Å; V440-V443 PolarHBondContact O-N 3.24Å; V443-Q445 PolarHBondContact O-N 2.76Å; V443-R446 PolarHBondContact O-N 2.87Å; V443-A447 WeakPolarHBondContact O-CB 3.29Å; V443-A447 PolarHBondContact O-N 3.39Å; V443-I455 HydrophobicContact CG1-CG2 4.03Å; V443-F457 HydrophobicContact CG1-CZ 4.44Å |
| 444 | F | 85.8 | Confident | 80.3 | Confident | 5 Ų | 5 | 34.2 Ų | 34.2 | 2% | 0.022 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -66.4 | -36.8 | 178.6 | -82.4 | -91.7 | 0 | 0 | 0 | 112.4 | V440 R441 A447 K448 I455 F457 L482 E485 M486 V497 | V440-F444 HydrophobicContact CG1-CD2 4.12Å; V440-F444 HydrophobicContact CG1-CE2 4.12Å; V440-F444 WeakPolarHBondContact O-CD2 3.27Å; V440-F444 PolarHBondContact O-N 3.2Å; R441-F444 PolarHBondContact O-N 2.96Å; F444-A447 PolarHBondContact O-N 2.96Å; F444-K448 WeakPolarHBondContact O-CB 3.37Å; F444-K448 VanDerWaalsContact O-CG 3.22Å; F444-K448 WeakPolarHBondContact O-CG 3.46Å; F444-K448 PolarHBondContact O-N 3.42Å; F444-I455 HydrophobicContact CD1-CD1 3.88Å; F444-I455 HydrophobicContact CE1-CD1 3.95Å; F444-I455 HydrophobicContact CG-CD1 4.29Å; F444-I455 HydrophobicContact CZ-CD1 4.4Å; F444-F457 HydrophobicContact CE2-CE2 4.35Å; F444-F457 AromaticContact CE2-CZ 3.82Å; F444-F457 HydrophobicContact CE2-CZ 3.82Å; F444-F457 HydrophobicContact CZ-CE2 4.19Å; F444-F457 HydrophobicContact CZ-CZ 4.13Å; F444-L482 HydrophobicContact CE2-CD1 3.68Å; F444-L482 HydrophobicContact CZ-CD1 4.07Å; F444-E485 HydrophobicContact CB-CB 4.46Å; F444-E485 HydrophobicContact CB-CG 4.4Å; F444-E485 HydrophobicContact CD1-CB 4.02Å; F444-E485 HydrophobicContact CD2-CB 3.63Å; F444-E485 HydrophobicContact CD2-CG 3.92Å; F444-E485 HydrophobicContact CE1-CB 4.12Å; F444-E485 HydrophobicContact CE2-CB 3.76Å; F444-E485 HydrophobicContact CE2-CG 4.42Å; F444-E485 HydrophobicContact CG-CB 3.77Å; F444-E485 HydrophobicContact CG-CG 4.14Å; F444-E485 HydrophobicContact CZ-CB 4Å; F444-M486 HydrophobicContact CZ-CG 4.04Å; F444-V497 HydrophobicContact CE1-CG2 4.13Å; F444-V497 HydrophobicContact CZ-CG2 4.48Å |
| 445 | Q | 78.2 | Confident | 80.8 | Confident | 75 Ų | 75 | 32.6 Ų | 32.6 | 35% | 0.35 | 15% | 0.148 | S | C | . | . | H | α-helix | trans | -65.8 | -41.7 | 174.2 | -71.5 | -65 | -14.4 | 0 | 0 | 112.3 | R441 Q442 V443 A447 K448 N449 | R441-Q445 WeakPolarHBondContact O-CB 3.25Å; R441-Q445 VanDerWaalsContact O-CG 3.25Å; R441-Q445 WeakPolarHBondContact O-CG 3.41Å; R441-Q445 PolarHBondContact O-N 2.77Å; Q442-Q445 PolarHBondContact O-N 2.89Å; V443-Q445 PolarHBondContact O-N 2.76Å; Q445-A447 VanDerWaalsContact C-N 3.33Å; Q445-A447 PolarHBondContact O-N 3.41Å; Q445-K448 WeakPolarHBondContact O-CB 3.43Å; Q445-K448 PolarHBondContact O-N 3.41Å; Q445-N449 VanDerWaalsContact O-CG 3.3Å; Q445-N449 PolarHBondContact O-N 3.02Å; Q445-N449 PolarHBondContact O-ND2 2.82Å |
| 446 | R | 77.6 | Confident | 81.2 | Confident | 68 Ų | 68 | 28.5 Ų | 28.5 | 26% | 0.257 | 13% | 0.129 | S | C | . | . | H | α-helix | trans | -59.7 | -45.1 | 172.9 | -73.2 | 172.5 | -177.4 | 175.9 | -0.5 | 110.8 | E336 F338 I421 Q442 V443 K448 N449 S450 | E336-R446 PolarHBondContact O-NE 3.36Å; E336-R446 PolarHBondContact O-NH1 3.14Å; E336-R446 VanDerWaalsContact O-NH1 3.11Å; E336-R446 PolarHBondContact O-NH2 3.48Å; F338-R446 HydrophobicContact CD1-CB 4.27Å; F338-R446 HydrophobicContact CD1-CG 4.19Å; F338-R446 HydrophobicContact CE1-CB 4.28Å; F338-R446 HydrophobicContact CE1-CG 3.89Å; I421-R446 HydrophobicContact CD1-CB 4.32Å; Q442-R446 WeakPolarHBondContact O-CB 3.49Å; Q442-R446 VanDerWaalsContact O-CG 3.22Å; Q442-R446 WeakPolarHBondContact O-CG 3.23Å; Q442-R446 PolarHBondContact O-N 3.35Å; V443-R446 PolarHBondContact O-N 2.87Å; R446-K448 VanDerWaalsContact C-N 3.34Å; R446-K448 PolarHBondContact O-N 3.19Å; R446-N449 PolarHBondContact O-N 2.84Å; R446-S450 WeakPolarHBondContact O-CB 3.41Å; R446-S450 PolarHBondContact O-N 2.88Å; R446-S450 PolarHBondContact O-OG 2.96Å |
| 447 | A | 80 | Confident | 81.5 | Confident | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -61.9 | -39.4 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | I421 V443 F444 Q445 S450 S451 C453 I455 V495 | I421-A447 HydrophobicContact CD1-CB 3.83Å; V443-A447 WeakPolarHBondContact O-CB 3.29Å; V443-A447 PolarHBondContact O-N 3.39Å; F444-A447 PolarHBondContact O-N 2.96Å; Q445-A447 VanDerWaalsContact C-N 3.33Å; Q445-A447 PolarHBondContact O-N 3.41Å; A447-S450 CarbonylContact O-C 3.54Å; A447-S450 PolarHBondContact O-N 2.86Å; A447-S451 PolarHBondContact O-N 3.24Å; A447-C453 HydrophobicContact CB-CB 4.36Å; A447-I455 HydrophobicContact CB-CD1 3.39Å; A447-I455 HydrophobicContact CB-CG1 3.55Å; A447-V495 HydrophobicContact CB-CG1 3.92Å; A447-V495 HydrophobicContact CB-CG2 4.43Å |
| 448 | K | 76.2 | Confident | 81.6 | Confident | 43 Ų | 43 | 27 Ų | 27 | 19% | 0.187 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -63 | -41.4 | 174.8 | -74.3 | 165.9 | -178.6 | 175.1 | 0 | 111.8 | F444 Q445 R446 S451 E485 S491 V495 | F444-K448 WeakPolarHBondContact O-CB 3.37Å; F444-K448 VanDerWaalsContact O-CG 3.22Å; F444-K448 WeakPolarHBondContact O-CG 3.46Å; F444-K448 PolarHBondContact O-N 3.42Å; Q445-K448 WeakPolarHBondContact O-CB 3.43Å; Q445-K448 PolarHBondContact O-N 3.41Å; R446-K448 VanDerWaalsContact C-N 3.34Å; R446-K448 PolarHBondContact O-N 3.19Å; K448-S451 WeakPolarHBondContact O-CB 3.42Å; K448-S451 PolarHBondContact O-N 2.93Å; K448-E485 IonicContact NZ-OE2 3.87Å; K448-S491 VanDerWaalsContact CE-OG 3.29Å; K448-S491 WeakPolarHBondContact CE-OG 3.19Å; K448-S491 PolarHBondContact NZ-OG 3.45Å; K448-V495 HydrophobicContact CG-CG2 4.41Å |
| 449 | N | 71.8 | Confident | 81.7 | Confident | 26 Ų | 26 | 24.9 Ų | 24.9 | 14% | 0.139 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -70.5 | -32.3 | 176.6 | -66.6 | -24.2 | 0 | 0 | 0 | 112.6 | G174 Q445 R446 S451 | G174-N449 VanDerWaalsContact CA-O 3.3Å; G174-N449 WeakPolarHBondContact CA-O 3.38Å; Q445-N449 VanDerWaalsContact O-CG 3.3Å; Q445-N449 PolarHBondContact O-N 3.02Å; Q445-N449 PolarHBondContact O-ND2 2.82Å; R446-N449 PolarHBondContact O-N 2.84Å; N449-S451 VanDerWaalsContact C-N 3.32Å |
| 450 | S | 71.6 | Confident | 81.7 | Confident | 1 Ų | 1 | 23.9 Ų | 23.9 | 1% | 0.007 | 11% | 0.108 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -92 | 16.4 | 176.2 | -60.2 | 0 | 0 | 0 | 0 | 113.6 | M175 N419 R446 A447 P452 | M175-S450 WeakPolarHBondContact CE-OG 3.49Å; N419-S450 PolarHBondContact ND2-O 2.88Å; R446-S450 WeakPolarHBondContact O-CB 3.41Å; R446-S450 PolarHBondContact O-N 2.88Å; R446-S450 PolarHBondContact O-OG 2.96Å; A447-S450 CarbonylContact O-C 3.54Å; A447-S450 PolarHBondContact O-N 2.86Å; S450-P452 CarbonylContact O-C 3.46Å; S450-P452 VanDerWaalsContact O-C 3.3Å; S450-P452 VanDerWaalsContact O-O 3.08Å |
| 451 | S | 68.8 | Low | 81.4 | Confident | 5 Ų | 5 | 24.2 Ų | 24.2 | 4% | 0.035 | 11% | 0.11 | C | C | . | . | trans | -66 | 130.8 | -177.7 | 172.3 | 0 | 0 | 0 | 0 | 111.5 | R12 A447 K448 N449 R493 Q494 | R12-S451 PolarHBondContact NH2-OG 3.04Å; A447-S451 PolarHBondContact O-N 3.24Å; K448-S451 WeakPolarHBondContact O-CB 3.42Å; K448-S451 PolarHBondContact O-N 2.93Å; N449-S451 VanDerWaalsContact C-N 3.32Å; S451-R493 PolarHBondContact OG-O 2.75Å; S451-Q494 VanDerWaalsContact OG-CB 3.23Å; S451-Q494 WeakPolarHBondContact OG-CB 3.49Å; S451-Q494 PolarHBondContact OG-OE1 2.83Å | ||
| 452 | P | 71.5 | Confident | 81.2 | Confident | 13 Ų | 13 | 21.1 Ų | 21.1 | 8% | 0.084 | 11% | 0.106 | C | C | . | . | S | Bend | cis | -77.5 | 134.1 | 6.7 | 26.6 | -28.8 | 0 | 0 | 0 | 113.3 | K179 I418 N419 S450 Q494 | K179-P452 HydrophobicContact CD-CG 3.56Å; K179-P452 VanDerWaalsContact CE-CG 3.48Å; I418-P452 HydrophobicContact CG2-CB 4.28Å; I418-P452 WeakPolarHBondContact CG2-O 3.34Å; N419-P452 WeakPolarHBondContact CB-O 3.28Å; N419-P452 PolarHBondContact N-O 3.11Å; S450-P452 CarbonylContact O-C 3.46Å; S450-P452 VanDerWaalsContact O-C 3.3Å; S450-P452 VanDerWaalsContact O-O 3.08Å; P452-Q494 VanDerWaalsContact CA-O 3.3Å; P452-Q494 WeakPolarHBondContact CA-O 3.31Å; P452-Q494 HydrophobicContact CB-CB 3.94Å |
| 453 | C | 77.9 | Confident | 80.9 | Confident | 1 Ų | 1 | 18.9 Ų | 18.9 | 1% | 0.007 | 10% | 0.095 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.2 | 143.4 | -173 | -171.4 | 0 | 0 | 0 | 0 | 112.2 | N419 I421 A447 Q494 V495 F496 | N419-C453 HydrophobicContact CB-CB 4.21Å; N419-C453 CarbonylContact O-C 3.6Å; N419-C453 VanDerWaalsContact O-CA 3.29Å; N419-C453 WeakPolarHBondContact O-CA 3.45Å; N419-C453 PolarHBondContact O-SG 3.22Å; N419-C453 VanDerWaalsContact O-SG 3.36Å; I421-C453 VanDerWaalsContact CD1-SG 3.51Å; I421-C453 VanDerWaalsContact CG1-SG 3.58Å; A447-C453 HydrophobicContact CB-CB 4.36Å; C453-Q494 PolarHBondContact N-O 3.26Å; C453-V495 WeakPolarHBondContact O-CA 3.33Å; C453-F496 PolarHBondContact O-N 2.98Å |
| 454 | V | 83.7 | Confident | 80.2 | Confident | 2 Ų | 2 | 18.4 Ų | 18.4 | 1% | 0.012 | 9% | 0.092 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 122.2 | 165.7 | 176.3 | 0 | 0 | 0 | 0 | 108.5 | I418 N419 F420 I421 F496 M498 | I418-V454 HydrophobicContact CB-CG2 4.45Å; I418-V454 HydrophobicContact CG2-CG2 4.03Å; N419-V454 PolarHBondContact O-N 3.11Å; F420-V454 HydrophobicContact CD2-CB 4.23Å; F420-V454 HydrophobicContact CD2-CG1 4.12Å; F420-V454 HydrophobicContact CE2-CG1 4.29Å; I421-V454 PolarHBondContact N-O 3.07Å; V454-F496 CarbonylContact C-O 3.48Å; V454-F496 WeakPolarHBondContact CA-O 3.46Å; V454-F496 HydrophobicContact CG1-CD1 4.3Å; V454-F496 HydrophobicContact CG2-CB 4.26Å; V454-F496 HydrophobicContact CG2-CD1 4.42Å; V454-M498 HydrophobicContact CG1-CG 4.04Å; V454-M498 HydrophobicContact CG1-SD 3.68Å |
| 455 | I | 88.8 | Confident | 79.5 | Confident | 0 Ų | 0 | 19.4 Ų | 19.4 | 0% | 0 | 10% | 0.099 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 121.6 | 169.4 | -51.3 | 176.3 | 0 | 0 | 0 | 107.5 | I421 V443 F444 A447 F457 V495 F496 M498 | I421-I455 CarbonylContact O-C 3.49Å; V443-I455 HydrophobicContact CG1-CG2 4.03Å; F444-I455 HydrophobicContact CD1-CD1 3.88Å; F444-I455 HydrophobicContact CE1-CD1 3.95Å; F444-I455 HydrophobicContact CG-CD1 4.29Å; F444-I455 HydrophobicContact CZ-CD1 4.4Å; A447-I455 HydrophobicContact CB-CD1 3.39Å; A447-I455 HydrophobicContact CB-CG1 3.55Å; I455-F457 HydrophobicContact CB-CE2 4.35Å; I455-F457 HydrophobicContact CG2-CD2 4.04Å; I455-F457 HydrophobicContact CG2-CE1 4.26Å; I455-F457 HydrophobicContact CG2-CE2 3.49Å; I455-F457 VanDerWaalsContact CG2-CE2 3.49Å; I455-F457 HydrophobicContact CG2-CZ 3.62Å; I455-V495 HydrophobicContact CD1-CG1 3.7Å; I455-V495 HydrophobicContact CG1-CG1 4Å; I455-F496 PolarHBondContact N-O 3.32Å; I455-M498 PolarHBondContact O-N 3.33Å; I455-M498 VanDerWaalsContact O-O 3.12Å |
| 456 | F | 91.3 | Very high | 78.9 | Confident | 0 Ų | 0 | 17.9 Ų | 17.9 | 0% | 0 | 9% | 0.09 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 110.1 | 176.5 | 179.6 | -105.2 | 0 | 0 | 0 | 110.4 | L397 T406 A409 F420 I421 V423 D458 M498 A500 | L397-F456 HydrophobicContact CD1-CE2 4.24Å; T406-F456 HydrophobicContact CG2-CE1 3.84Å; A409-F456 HydrophobicContact CB-CD1 4.42Å; A409-F456 HydrophobicContact CB-CD2 3.39Å; A409-F456 HydrophobicContact CB-CE1 4.44Å; A409-F456 HydrophobicContact CB-CE2 3.43Å; A409-F456 VanDerWaalsContact CB-CE2 3.43Å; A409-F456 HydrophobicContact CB-CG 3.92Å; A409-F456 HydrophobicContact CB-CZ 3.98Å; F420-F456 HydrophobicContact CD2-CB 4.44Å; F420-F456 HydrophobicContact CE1-CB 4.34Å; F420-F456 HydrophobicContact CE2-CB 3.44Å; F420-F456 VanDerWaalsContact CE2-CB 3.44Å; F420-F456 HydrophobicContact CE2-CG 4.07Å; F420-F456 HydrophobicContact CZ-CB 3.37Å; F420-F456 AromaticContact CZ-CD1 3.89Å; F420-F456 HydrophobicContact CZ-CD1 3.89Å; F420-F456 AromaticContact CZ-CG 3.72Å; F420-F456 HydrophobicContact CZ-CG 3.72Å; I421-F456 PolarHBondContact O-N 3.22Å; V423-F456 PolarHBondContact N-O 3.19Å; F456-D458 HydrophobicContact CD1-CB 4.27Å; F456-D458 HydrophobicContact CE1-CB 3.67Å; F456-D458 HydrophobicContact CZ-CB 4.4Å; F456-M498 CarbonylContact C-O 3.59Å; F456-M498 WeakPolarHBondContact CA-O 3.4Å; F456-M498 HydrophobicContact CD2-CB 3.78Å; F456-A500 HydrophobicContact CE2-CB 3.82Å; F456-A500 HydrophobicContact CZ-CB 3.55Å |
| 457 | F | 90.6 | Very high | 78.3 | Confident | 2 Ų | 2 | 22.4 Ų | 22.4 | 1% | 0.009 | 11% | 0.107 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89 | 103.6 | 172.5 | -66.7 | -76.3 | 0 | 0 | 0 | 109.9 | V423 L428 V443 F444 I455 I460 L482 V497 M498 A499 A500 | V423-F457 HydrophobicContact CB-CD1 4.04Å; V423-F457 HydrophobicContact CB-CE1 4.21Å; V423-F457 HydrophobicContact CG1-CD1 4.31Å; V423-F457 HydrophobicContact CG1-CE1 4.36Å; V423-F457 HydrophobicContact CG2-CE1 4.49Å; V423-F457 WeakPolarHBondContact O-CA 3.49Å; L428-F457 HydrophobicContact CD1-CD1 4.41Å; L428-F457 HydrophobicContact CD1-CE1 4.03Å; V443-F457 HydrophobicContact CG1-CZ 4.44Å; F444-F457 HydrophobicContact CE2-CE2 4.35Å; F444-F457 AromaticContact CE2-CZ 3.82Å; F444-F457 HydrophobicContact CE2-CZ 3.82Å; F444-F457 HydrophobicContact CZ-CE2 4.19Å; F444-F457 HydrophobicContact CZ-CZ 4.13Å; I455-F457 HydrophobicContact CB-CE2 4.35Å; I455-F457 HydrophobicContact CG2-CD2 4.04Å; I455-F457 HydrophobicContact CG2-CE1 4.26Å; I455-F457 HydrophobicContact CG2-CE2 3.49Å; I455-F457 VanDerWaalsContact CG2-CE2 3.49Å; I455-F457 HydrophobicContact CG2-CZ 3.62Å; F457-I460 HydrophobicContact CB-CD1 4.33Å; F457-L482 HydrophobicContact CE1-CD1 4.35Å; F457-L482 HydrophobicContact CE2-CD1 4.26Å; F457-L482 HydrophobicContact CZ-CD1 3.88Å; F457-V497 HydrophobicContact CD2-CG1 3.89Å; F457-V497 HydrophobicContact CE2-CG1 3.84Å; F457-M498 PolarHBondContact N-O 3.37Å; F457-A499 HydrophobicContact CB-CB 4.26Å; F457-A499 CarbonylContact O-C 3.59Å; F457-A499 VanDerWaalsContact O-CA 3.28Å; F457-A499 WeakPolarHBondContact O-CA 3.37Å; F457-A500 PolarHBondContact O-N 2.84Å |
| 458 | D | 89.7 | Confident | 77.3 | Confident | 21 Ų | 21 | 27.1 Ų | 27.1 | 11% | 0.112 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.8 | 144.6 | 172.7 | -148.9 | -13.1 | 0 | 0 | 0 | 110.1 | T406 V423 G425 F456 I460 | T406-D458 PolarHBondContact OG1-OD2 3.28Å; V423-D458 PolarHBondContact O-N 3.01Å; G425-D458 PolarHBondContact N-O 3.34Å; F456-D458 HydrophobicContact CD1-CB 4.27Å; F456-D458 HydrophobicContact CE1-CB 3.67Å; F456-D458 HydrophobicContact CZ-CB 4.4Å; D458-I460 VanDerWaalsContact C-N 3.35Å; D458-I460 PolarHBondContact O-N 3.07Å |
| 459 | E | 85.6 | Confident | 76.5 | Confident | 80 Ų | 80 | 29.8 Ų | 29.8 | 37% | 0.374 | 15% | 0.153 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 51.4 | 47.5 | -179 | -55.3 | -174.7 | 157.8 | 0 | 0 | 113.8 | D461 A462 A500 | E459-D461 PolarHBondContact O-N 3.2Å; E459-A462 WeakPolarHBondContact O-CB 3.47Å; E459-A462 PolarHBondContact O-N 3.2Å; E459-A500 PolarHBondContact N-O 3.48Å; E459-A500 VanDerWaalsContact N-O 3.17Å |
| 460 | I | 85.8 | Confident | 75.8 | Confident | 1 Ų | 1 | 29.4 Ų | 29.4 | 1% | 0.005 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -59.6 | -22 | -178 | -163.7 | 166.9 | 0 | 0 | 0 | 113.2 | L396 F457 D458 A462 L463 C464 L482 A499 A500 V522 M526 L532 | L396-I460 HydrophobicContact CD1-CG2 4.17Å; F457-I460 HydrophobicContact CB-CD1 4.33Å; D458-I460 VanDerWaalsContact C-N 3.35Å; D458-I460 PolarHBondContact O-N 3.07Å; I460-A462 PolarHBondContact O-N 2.95Å; I460-L463 PolarHBondContact O-N 3.48Å; I460-L463 VanDerWaalsContact O-N 3.1Å; I460-C464 PolarHBondContact O-N 3.46Å; I460-L482 HydrophobicContact CD1-CD2 4.44Å; I460-A499 HydrophobicContact CB-CB 4.27Å; I460-A499 HydrophobicContact CD1-CB 3.65Å; I460-A499 HydrophobicContact CG2-CB 4.16Å; I460-A500 PolarHBondContact N-O 3.1Å; I460-A500 VanDerWaalsContact N-O 3.07Å; I460-V522 HydrophobicContact CG2-CG2 4.02Å; I460-M526 HydrophobicContact CD1-CE 3.98Å; I460-L532 HydrophobicContact CD1-CD1 4.16Å |
| 461 | D | 81.6 | Confident | 75.1 | Confident | 9 Ų | 9 | 36.8 Ų | 36.8 | 5% | 0.048 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -65.5 | -22.2 | 173.6 | 50.5 | -67.6 | 0 | 0 | 0 | 113.7 | E459 L463 T501 R503 | E459-D461 PolarHBondContact O-N 3.2Å; D461-L463 VanDerWaalsContact C-N 3.33Å; D461-T501 WeakPolarHBondContact CB-OG1 3.26Å; D461-T501 VanDerWaalsContact CG-OG1 3.24Å; D461-T501 WeakPolarHBondContact OD1-CA 3.47Å; D461-T501 WeakPolarHBondContact OD1-CB 3.28Å; D461-T501 PolarHBondContact OD1-OG1 3.16Å; D461-R503 WeakPolarHBondContact OD2-CD 3.46Å; D461-R503 WeakPolarHBondContact OD2-CG 3.5Å; D461-R503 IonicContact OD2-NE 2.75Å; D461-R503 PolarHBondContact OD2-NE 3.38Å |
| 462 | A | 79.9 | Confident | 75 | Confident | 34 Ų | 34 | 41.7 Ų | 41.7 | 28% | 0.281 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -69.5 | -33.5 | 170.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | E459 I460 | E459-A462 WeakPolarHBondContact O-CB 3.47Å; E459-A462 PolarHBondContact O-N 3.2Å; I460-A462 PolarHBondContact O-N 2.95Å |
| 463 | L | 76.3 | Confident | 74.9 | Confident | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -83.9 | -38.4 | -178.5 | -73 | 167.6 | 0 | 0 | 0 | 113.4 | G425 L428 L429 I460 D461 P465 L478 | G425-L463 VanDerWaalsContact O-CD2 3.28Å; G425-L463 WeakPolarHBondContact O-CD2 3.42Å; L428-L463 HydrophobicContact CB-CD2 3.72Å; L428-L463 HydrophobicContact CD1-CD1 3.88Å; L428-L463 HydrophobicContact CD1-CD2 4.38Å; L429-L463 HydrophobicContact CD2-CD2 3.96Å; L429-L463 HydrophobicContact CG-CD2 3.84Å; I460-L463 PolarHBondContact O-N 3.48Å; I460-L463 VanDerWaalsContact O-N 3.1Å; D461-L463 VanDerWaalsContact C-N 3.33Å; L463-P465 VanDerWaalsContact O-CD 3.28Å; L463-P465 WeakPolarHBondContact O-CD 3.45Å; L463-L478 HydrophobicContact CB-CD2 3.87Å; L463-L478 HydrophobicContact CD2-CD1 3.78Å; L463-L478 HydrophobicContact CD2-CD2 3.57Å; L463-L478 HydrophobicContact CD2-CG 4.35Å; L463-L478 HydrophobicContact CG-CD2 4.26Å |
| 464 | C | 71.6 | Confident | 74.7 | Confident | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 26% | 0.263 | C | S | . | . | trans | -119.7 | 61.7 | -171.1 | -56.3 | 0 | 0 | 0 | 0 | 111.3 | I460 V479 V522 D523 | I460-C464 PolarHBondContact O-N 3.46Å; C464-V479 HydrophobicContact CB-CG2 3.95Å; C464-V522 HydrophobicContact CB-CG1 4.19Å; C464-V522 WeakPolarHBondContact O-CA 3.15Å; C464-D523 PolarHBondContact O-N 3.27Å | ||
| 465 | P | 71.2 | Confident | 74.3 | Confident | 27 Ų | 27 | 46 Ų | 46 | 18% | 0.175 | 27% | 0.269 | C | S | . | . | B | Isolated β-bridge | trans | -60.9 | 150.7 | 170.1 | 27.2 | -32 | 0 | 0 | 0 | 109.5 | L463 R467 A470 I521 | L463-P465 VanDerWaalsContact O-CD 3.28Å; L463-P465 WeakPolarHBondContact O-CD 3.45Å; P465-R467 PolarHBondContact O-N 3.43Å; P465-A470 HydrophobicContact CB-CB 4.47Å; P465-A470 HydrophobicContact CG-CB 3.86Å; P465-I521 CarbonylContact C-O 3.57Å |
| 466 | R | 65.7 | Low | 73.8 | Confident | 42 Ų | 42 | 48.1 Ų | 48.1 | 16% | 0.158 | 29% | 0.286 | C | S | . | . | trans | -53.4 | 138.5 | 172 | -76.4 | -165.7 | -177.8 | 154.5 | 9 | 109.5 | S468 Q469 A470 S518 Y520 I521 | R466-S468 PolarHBondContact O-N 2.79Å; R466-Q469 PolarHBondContact O-N 3.13Å; R466-A470 PolarHBondContact O-N 3.24Å; R466-S518 PolarHBondContact NE-OG 3.06Å; R466-S518 VanDerWaalsContact NH1-CB 3.32Å; R466-S518 PolarHBondContact NH1-OG 3.37Å; R466-S518 PolarHBondContact NH2-O 3.43Å; R466-S518 PolarHBondContact NH2-OG 2.84Å; R466-Y520 VanDerWaalsContact CZ-O 3.26Å; R466-Y520 PolarHBondContact NE-O 3.21Å; R466-Y520 PolarHBondContact NH2-O 2.89Å; R466-I521 VanDerWaalsContact CG-O 3.31Å; R466-I521 WeakPolarHBondContact CG-O 3.38Å; R466-I521 PolarHBondContact N-O 2.93Å | ||
| 467 | R | 64 | Low | 73.4 | Confident | 163 Ų | 163 | 54.5 Ų | 54.5 | 62% | 0.615 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -49.5 | -25.3 | -179.3 | -63.7 | 179.7 | -175.7 | -160.5 | -7.7 | 114.1 | P465 D523 | P465-R467 PolarHBondContact O-N 3.43Å; R467-D523 IonicContact CZ-OD2 3.41Å; R467-D523 IonicContact NE-OD2 3.41Å; R467-D523 PolarHBondContact NE-OD2 3.13Å; R467-D523 IonicContact NH2-OD2 2.65Å; R467-D523 PolarHBondContact NH2-OD2 3.38Å |
| 468 | S | 59.7 | Low | 73.2 | Confident | 100 Ų | 100 | 54.5 Ų | 54.5 | 70% | 0.699 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.9 | -14.3 | 176.2 | 61.4 | 0 | 0 | 0 | 0 | 115.4 | R466 | R466-S468 PolarHBondContact O-N 2.79Š|
| 469 | Q | 58.8 | Low | 73 | Confident | 98 Ų | 98 | 53.8 Ų | 53.8 | 46% | 0.458 | 31% | 0.306 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -109.4 | -5.3 | 176.3 | -70.7 | -175.4 | -4.7 | 0 | 0 | 112.2 | R466 D471 | R466-Q469 PolarHBondContact O-N 3.13Å; Q469-D471 PolarHBondContact O-N 3.1Å |
| 470 | A | 58.7 | Low | 73 | Confident | 19 Ų | 19 | 53.9 Ų | 53.9 | 16% | 0.157 | 31% | 0.309 | C | S | . | . | trans | -100.5 | 59.1 | -167.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | P465 R466 T472 | P465-A470 HydrophobicContact CB-CB 4.47Å; P465-A470 HydrophobicContact CG-CB 3.86Å; R466-A470 PolarHBondContact O-N 3.24Å; A470-T472 PolarHBondContact O-N 2.88Å; A470-T472 VanDerWaalsContact O-N 3.12Å | ||
| 471 | D | 56.5 | Low | 73.1 | Confident | 156 Ų | 156 | 54.8 Ų | 54.8 | 83% | 0.834 | 31% | 0.314 | S | S | * | . | trans | -66.5 | -11.6 | -178.9 | -76 | -22.3 | 0 | 0 | 0 | 113.2 | Q469 G473 | Q469-D471 PolarHBondContact O-N 3.1Å; D471-G473 PolarHBondContact O-N 3.45Å | ||
| 472 | T | 65.4 | Low | 73.4 | Confident | 107 Ų | 107 | 54.4 Ų | 54.4 | 66% | 0.656 | 31% | 0.311 | S | S | * | . | S | Bend | trans | -88.6 | 106.7 | 175.3 | -36.4 | 0 | 0 | 0 | 0 | 110.3 | A470 G474 S475 | A470-T472 PolarHBondContact O-N 2.88Å; A470-T472 VanDerWaalsContact O-N 3.12Å; T472-G474 PolarHBondContact O-N 3.42Å; T472-S475 PolarHBondContact O-N 3.32Å; T472-S475 PolarHBondContact O-OG 3.45Å |
| 473 | G | 69.3 | Low | 73.7 | Confident | 44 Ų | 44 | 53.3 Ų | 53.3 | 45% | 0.454 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -53.4 | -18.8 | -179.9 | 0 | 0 | 0 | 0 | 0 | 115.7 | D471 R477 | D471-G473 PolarHBondContact O-N 3.45Å; G473-R477 WeakPolarHBondContact O-CG 3.42Å; G473-R477 PolarHBondContact O-N 3.23Å |
| 474 | G | 74 | Confident | 74.1 | Confident | 47 Ų | 47 | 57.3 Ų | 57.3 | 49% | 0.485 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -63.9 | -39.9 | 172.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | T472 L478 | T472-G474 PolarHBondContact O-N 3.42Å; G474-L478 PolarHBondContact O-N 2.96Å; G474-L478 VanDerWaalsContact O-N 3.17Å |
| 475 | S | 76.1 | Confident | 74.8 | Confident | 17 Ų | 17 | 58.6 Ų | 58.6 | 12% | 0.119 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -67.7 | -46.1 | -179.9 | 62.8 | 0 | 0 | 0 | 0 | 111.7 | T472 R477 L478 V479 | T472-S475 PolarHBondContact O-N 3.32Å; T472-S475 PolarHBondContact O-OG 3.45Å; S475-R477 VanDerWaalsContact C-N 3.3Å; S475-R477 PolarHBondContact O-N 3.41Å; S475-L478 WeakPolarHBondContact O-CB 3.33Å; S475-L478 PolarHBondContact O-N 2.85Å; S475-L478 VanDerWaalsContact O-N 3.12Å; S475-V479 WeakPolarHBondContact O-CG2 3.4Å; S475-V479 PolarHBondContact O-N 2.72Å |
| 476 | A | 78.9 | Confident | 75.3 | Confident | 44 Ų | 44 | 57.5 Ų | 57.5 | 36% | 0.364 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -59.7 | -39.3 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | V479 N480 | A476-V479 PolarHBondContact O-N 3.33Å; A476-N480 PolarHBondContact O-N 2.97Å; A476-N480 PolarHBondContact O-ND2 3.04Å |
| 477 | R | 82.4 | Confident | 76 | Confident | 134 Ų | 134 | 58.5 Ų | 58.5 | 51% | 0.506 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -64.1 | -42.8 | 174.9 | -72.3 | 177.9 | -169.1 | -173.8 | 3.7 | 112.1 | E437 G473 S475 N480 Q481 | E437-R477 WeakPolarHBondContact OE1-CB 3.5Å; G473-R477 WeakPolarHBondContact O-CG 3.42Å; G473-R477 PolarHBondContact O-N 3.23Å; S475-R477 VanDerWaalsContact C-N 3.3Å; S475-R477 PolarHBondContact O-N 3.41Å; R477-N480 PolarHBondContact O-N 3.34Å; R477-Q481 PolarHBondContact O-N 2.67Å |
| 478 | L | 86.1 | Confident | 76.3 | Confident | 1 Ų | 1 | 51.9 Ų | 51.9 | 1% | 0.005 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -61.6 | -44.1 | 174.9 | 177.3 | 141.4 | 0 | 0 | 0 | 111.9 | L428 V440 L463 G474 S475 N480 Q481 L482 | L428-L478 HydrophobicContact CB-CD1 4.16Å; V440-L478 HydrophobicContact CG2-CD1 3.98Å; V440-L478 HydrophobicContact CG2-CG 4.09Å; L463-L478 HydrophobicContact CB-CD2 3.87Å; L463-L478 HydrophobicContact CD2-CD1 3.78Å; L463-L478 HydrophobicContact CD2-CD2 3.57Å; L463-L478 HydrophobicContact CD2-CG 4.35Å; L463-L478 HydrophobicContact CG-CD2 4.26Å; G474-L478 PolarHBondContact O-N 2.96Å; G474-L478 VanDerWaalsContact O-N 3.17Å; S475-L478 WeakPolarHBondContact O-CB 3.33Å; S475-L478 PolarHBondContact O-N 2.85Å; S475-L478 VanDerWaalsContact O-N 3.12Å; L478-N480 VanDerWaalsContact C-N 3.34Å; L478-N480 PolarHBondContact O-N 2.95Å; L478-Q481 PolarHBondContact O-N 3.46Å; L478-L482 WeakPolarHBondContact O-CB 3.31Å; L478-L482 PolarHBondContact O-N 3.4Å |
| 479 | V | 84.7 | Confident | 75.8 | Confident | 7 Ų | 7 | 52.1 Ų | 52.1 | 4% | 0.042 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -59.5 | -46.7 | 177.1 | 178.9 | 0 | 0 | 0 | 0 | 110.4 | C464 S475 A476 Q481 L482 L483 D523 | C464-V479 HydrophobicContact CB-CG2 3.95Å; S475-V479 WeakPolarHBondContact O-CG2 3.4Å; S475-V479 PolarHBondContact O-N 2.72Å; A476-V479 PolarHBondContact O-N 3.33Å; V479-Q481 VanDerWaalsContact C-N 3.31Å; V479-Q481 PolarHBondContact O-N 2.96Å; V479-L482 PolarHBondContact O-N 3.34Å; V479-L483 HydrophobicContact CG1-CD1 4.03Å; V479-L483 HydrophobicContact CG1-CG 4.31Å; V479-L483 WeakPolarHBondContact O-CB 3.45Å; V479-L483 VanDerWaalsContact O-CG 3.23Å; V479-L483 WeakPolarHBondContact O-CG 3.48Å; V479-L483 PolarHBondContact O-N 3.32Å; V479-D523 HydrophobicContact CG1-CB 4.23Å |
| 480 | N | 85.9 | Confident | 75.6 | Confident | 81 Ų | 81 | 56.3 Ų | 56.3 | 43% | 0.433 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -61.7 | -38.7 | 177.7 | -69.9 | -27 | 0 | 0 | 0 | 112.2 | A476 R477 L478 L483 T484 | A476-N480 PolarHBondContact O-N 2.97Å; A476-N480 PolarHBondContact O-ND2 3.04Å; R477-N480 PolarHBondContact O-N 3.34Å; L478-N480 VanDerWaalsContact C-N 3.34Å; L478-N480 PolarHBondContact O-N 2.95Å; N480-L483 PolarHBondContact O-N 2.7Å; N480-T484 WeakPolarHBondContact O-CB 3.44Å; N480-T484 PolarHBondContact O-N 3Å; N480-T484 PolarHBondContact O-OG1 3.16Å |
| 481 | Q | 87.8 | Confident | 75.5 | Confident | 20 Ų | 20 | 57.5 Ų | 57.5 | 9% | 0.093 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -67 | -42.3 | 175.7 | -175.3 | 57.1 | 42.3 | 0 | 0 | 112 | E437 V440 R441 R477 L478 V479 L483 T484 E485 | E437-Q481 HydrophobicContact CB-CB 4.38Å; E437-Q481 HydrophobicContact CB-CG 4.16Å; E437-Q481 HydrophobicContact CG-CB 4.16Å; E437-Q481 HydrophobicContact CG-CG 4.47Å; V440-Q481 HydrophobicContact CB-CG 4.36Å; V440-Q481 HydrophobicContact CG1-CG 4.27Å; R441-Q481 HydrophobicContact CG-CG 4.22Å; R441-Q481 VanDerWaalsContact CG-NE2 3.27Å; R477-Q481 PolarHBondContact O-N 2.67Å; L478-Q481 PolarHBondContact O-N 3.46Å; V479-Q481 VanDerWaalsContact C-N 3.31Å; V479-Q481 PolarHBondContact O-N 2.96Å; Q481-L483 VanDerWaalsContact C-N 3.34Å; Q481-T484 PolarHBondContact O-N 3.15Å; Q481-E485 PolarHBondContact NE2-OE1 3.35Å; Q481-E485 PolarHBondContact O-N 3.06Å |
| 482 | L | 87.8 | Confident | 75.7 | Confident | 1 Ų | 1 | 51.5 Ų | 51.5 | 1% | 0.005 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -61.7 | -44 | 176.4 | -175.8 | 63.8 | 0 | 0 | 0 | 111.1 | V440 F444 F457 I460 L478 V479 T484 E485 M486 M526 | V440-L482 HydrophobicContact CG1-CB 4.38Å; V440-L482 HydrophobicContact CG1-CD1 4.01Å; F444-L482 HydrophobicContact CE2-CD1 3.68Å; F444-L482 HydrophobicContact CZ-CD1 4.07Å; F457-L482 HydrophobicContact CE1-CD1 4.35Å; F457-L482 HydrophobicContact CE2-CD1 4.26Å; F457-L482 HydrophobicContact CZ-CD1 3.88Å; I460-L482 HydrophobicContact CD1-CD2 4.44Å; L478-L482 WeakPolarHBondContact O-CB 3.31Å; L478-L482 PolarHBondContact O-N 3.4Å; V479-L482 PolarHBondContact O-N 3.34Å; L482-T484 VanDerWaalsContact C-N 3.33Å; L482-T484 PolarHBondContact O-N 3.07Å; L482-E485 PolarHBondContact O-N 3.32Å; L482-M486 HydrophobicContact CG-SD 4.39Å; L482-M486 WeakPolarHBondContact O-CB 3.48Å; L482-M486 VanDerWaalsContact O-CG 3.29Å; L482-M486 WeakPolarHBondContact O-CG 3.48Å; L482-M486 PolarHBondContact O-N 3Å; L482-M526 HydrophobicContact CD2-CE 3.65Å; L482-M526 HydrophobicContact CD2-SD 4.2Å; L482-M526 HydrophobicContact CG-CE 4.09Å |
| 483 | L | 86.5 | Confident | 75.5 | Confident | 11 Ų | 11 | 56.1 Ų | 56.1 | 6% | 0.058 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -59.8 | -42.4 | 174.1 | -71.4 | 176.1 | 0 | 0 | 0 | 112.2 | V479 N480 Q481 M486 D487 A525 M526 R531 | V479-L483 HydrophobicContact CG1-CD1 4.03Å; V479-L483 HydrophobicContact CG1-CG 4.31Å; V479-L483 WeakPolarHBondContact O-CB 3.45Å; V479-L483 VanDerWaalsContact O-CG 3.23Å; V479-L483 WeakPolarHBondContact O-CG 3.48Å; V479-L483 PolarHBondContact O-N 3.32Å; N480-L483 PolarHBondContact O-N 2.7Å; Q481-L483 VanDerWaalsContact C-N 3.34Å; L483-M486 PolarHBondContact O-N 3.12Å; L483-D487 VanDerWaalsContact O-CB 3.28Å; L483-D487 WeakPolarHBondContact O-CB 3.32Å; L483-D487 VanDerWaalsContact O-CG 3.28Å; L483-D487 PolarHBondContact O-N 3.32Å; L483-A525 HydrophobicContact CD1-CB 3.68Å; L483-A525 HydrophobicContact CD2-CB 4.21Å; L483-M526 HydrophobicContact CD2-CG 4.19Å; L483-M526 HydrophobicContact CD2-SD 3.23Å; L483-M526 WeakPolarHBondContact CD2-SD 3.49Å; L483-M526 HydrophobicContact CG-SD 3.85Å; L483-R531 VanDerWaalsContact CD2-NH1 3.35Å |
| 484 | T | 86.1 | Confident | 75.3 | Confident | 85 Ų | 85 | 56.2 Ų | 56.2 | 52% | 0.521 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -64.3 | -42 | 178.3 | -55.5 | 0 | 0 | 0 | 0 | 111.7 | N480 Q481 L482 D487 G488 | N480-T484 WeakPolarHBondContact O-CB 3.44Å; N480-T484 PolarHBondContact O-N 3Å; N480-T484 PolarHBondContact O-OG1 3.16Å; Q481-T484 PolarHBondContact O-N 3.15Å; L482-T484 VanDerWaalsContact C-N 3.33Å; L482-T484 PolarHBondContact O-N 3.07Å; T484-D487 PolarHBondContact O-N 2.79Å; T484-G488 PolarHBondContact O-N 3.05Å; T484-G488 VanDerWaalsContact O-N 3.15Å |
| 485 | E | 85.2 | Confident | 75.5 | Confident | 27 Ų | 27 | 54.4 Ų | 54.4 | 13% | 0.126 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -68.9 | -36.8 | 176.6 | -71.1 | -61.6 | 151.9 | 0 | 0 | 112.6 | V440 F444 K448 Q481 L482 G488 | V440-E485 HydrophobicContact CG1-CG 4.32Å; F444-E485 HydrophobicContact CB-CB 4.46Å; F444-E485 HydrophobicContact CB-CG 4.4Å; F444-E485 HydrophobicContact CD1-CB 4.02Å; F444-E485 HydrophobicContact CD2-CB 3.63Å; F444-E485 HydrophobicContact CD2-CG 3.92Å; F444-E485 HydrophobicContact CE1-CB 4.12Å; F444-E485 HydrophobicContact CE2-CB 3.76Å; F444-E485 HydrophobicContact CE2-CG 4.42Å; F444-E485 HydrophobicContact CG-CB 3.77Å; F444-E485 HydrophobicContact CG-CG 4.14Å; F444-E485 HydrophobicContact CZ-CB 4Å; K448-E485 IonicContact NZ-OE2 3.87Å; Q481-E485 PolarHBondContact NE2-OE1 3.35Å; Q481-E485 PolarHBondContact O-N 3.06Å; L482-E485 PolarHBondContact O-N 3.32Å; E485-G488 PolarHBondContact O-N 3.36Å |
| 486 | M | 80.9 | Confident | 75.8 | Confident | 4 Ų | 4 | 54.1 Ų | 54.1 | 2% | 0.02 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -69 | -38.5 | 175 | -72.2 | -175.6 | 73 | 0 | 0 | 112.5 | F444 L482 L483 G488 R492 V497 M526 R531 L532 | F444-M486 HydrophobicContact CZ-CG 4.04Å; L482-M486 HydrophobicContact CG-SD 4.39Å; L482-M486 WeakPolarHBondContact O-CB 3.48Å; L482-M486 VanDerWaalsContact O-CG 3.29Å; L482-M486 WeakPolarHBondContact O-CG 3.48Å; L482-M486 PolarHBondContact O-N 3Å; L483-M486 PolarHBondContact O-N 3.12Å; M486-G488 PolarHBondContact O-N 3.17Å; M486-R492 PolarHBondContact O-NE 3.35Å; M486-R492 PolarHBondContact O-NH2 3.38Å; M486-V497 HydrophobicContact CE-CG1 4.34Å; M486-M526 HydrophobicContact CE-CE 4.33Å; M486-M526 HydrophobicContact SD-CE 3.33Å; M486-M526 WeakPolarHBondContact SD-CE 3.33Å; M486-M526 HydrophobicContact SD-SD 4.32Å; M486-R531 HydrophobicContact CE-CB 3.74Å; M486-R531 HydrophobicContact CE-CG 4.47Å; M486-L532 HydrophobicContact CE-CD2 3.94Å; M486-L532 HydrophobicContact CE-CG 3.94Å |
| 487 | D | 80.5 | Confident | 76.2 | Confident | 62 Ų | 62 | 52.4 Ų | 52.4 | 33% | 0.332 | 26% | 0.26 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.9 | -6.3 | 177.4 | -73.9 | -10.9 | 0 | 0 | 0 | 113 | L483 T484 V489 R531 | L483-D487 VanDerWaalsContact O-CB 3.28Å; L483-D487 WeakPolarHBondContact O-CB 3.32Å; L483-D487 VanDerWaalsContact O-CG 3.28Å; L483-D487 PolarHBondContact O-N 3.32Å; T484-D487 PolarHBondContact O-N 2.79Å; D487-V489 WeakPolarHBondContact O-CG2 3.42Å; D487-V489 PolarHBondContact O-N 2.92Å; D487-R531 WeakPolarHBondContact OD1-CG 3.48Å; D487-R531 IonicContact OD1-CZ 3.22Å; D487-R531 IonicContact OD1-NE 3.15Å; D487-R531 PolarHBondContact OD1-NE 2.7Å; D487-R531 IonicContact OD1-NH2 2.71Å; D487-R531 IonicContact OD2-CZ 2.97Å; D487-R531 IonicContact OD2-NE 2.9Å; D487-R531 PolarHBondContact OD2-NE 3.07Å; D487-R531 IonicContact OD2-NH2 3.18Å; D487-R531 PolarHBondContact OD2-NH2 3.17Å |
| 488 | G | 71.1 | Confident | 76.4 | Confident | 25 Ų | 25 | 46.1 Ų | 46.1 | 26% | 0.258 | 24% | 0.236 | S | C | . | . | trans | -63.8 | 74.9 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | T484 E485 M486 E490 S491 | T484-G488 PolarHBondContact O-N 3.05Å; T484-G488 VanDerWaalsContact O-N 3.15Å; E485-G488 PolarHBondContact O-N 3.36Å; M486-G488 PolarHBondContact O-N 3.17Å; G488-E490 PolarHBondContact O-N 2.86Å; G488-E490 VanDerWaalsContact O-N 3.14Å; G488-S491 PolarHBondContact O-N 3.1Å; G488-S491 PolarHBondContact O-OG 3.37Å | ||
| 489 | V | 50.1 | Low | 76.6 | Confident | 105 Ų | 105 | 46 Ų | 46 | 64% | 0.636 | 24% | 0.236 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.3 | -27.1 | -162.9 | -164.8 | 0 | 0 | 0 | 0 | 112.9 | D487 | D487-V489 WeakPolarHBondContact O-CG2 3.42Å; D487-V489 PolarHBondContact O-N 2.92Å |
| 490 | E | 54.7 | Low | 76.9 | Confident | 185 Ų | 185 | 45.7 Ų | 45.7 | 86% | 0.864 | 23% | 0.234 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -88 | -20.5 | -179.8 | -63.3 | -176.8 | 164.7 | 0 | 0 | 113.1 | G488 | G488-E490 PolarHBondContact O-N 2.86Å; G488-E490 VanDerWaalsContact O-N 3.14Å |
| 491 | S | 55.9 | Low | 77 | Confident | 44 Ų | 44 | 41.9 Ų | 41.9 | 31% | 0.308 | 21% | 0.214 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -96 | -5.3 | -167.8 | 75.6 | 0 | 0 | 0 | 0 | 114.6 | K448 G488 R493 | K448-S491 VanDerWaalsContact CE-OG 3.29Å; K448-S491 WeakPolarHBondContact CE-OG 3.19Å; K448-S491 PolarHBondContact NZ-OG 3.45Å; G488-S491 PolarHBondContact O-N 3.1Å; G488-S491 PolarHBondContact O-OG 3.37Å; S491-R493 PolarHBondContact O-N 2.94Å |
| 492 | R | 60.6 | Low | 76.8 | Confident | 31 Ų | 31 | 42.9 Ų | 42.9 | 12% | 0.117 | 22% | 0.22 | C | C | . | . | trans | -87.4 | 9.1 | -173.5 | -76.4 | -164.8 | -79.2 | 165.3 | -16.9 | 115.7 | A392 M486 Q494 V495 G530 | A392-R492 HydrophobicContact CB-CB 4.48Å; A392-R492 PolarHBondContact O-NH1 3.17Å; M486-R492 PolarHBondContact O-NE 3.35Å; M486-R492 PolarHBondContact O-NH2 3.38Å; R492-Q494 PolarHBondContact O-N 2.96Å; R492-V495 PolarHBondContact O-N 3.46Å; R492-V495 VanDerWaalsContact O-N 3.1Å; R492-G530 PolarHBondContact NH1-O 2.89Å; R492-G530 PolarHBondContact NH2-O 3.27Å | ||
| 493 | R | 60.8 | Low | 76.1 | Confident | 204 Ų | 204 | 49.2 Ų | 49.2 | 77% | 0.77 | 24% | 0.243 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -56.3 | 110.2 | 177.7 | -67.9 | -174.5 | -178.9 | 171.9 | 1.9 | 108.9 | S451 S491 | S451-R493 PolarHBondContact OG-O 2.75Å; S491-R493 PolarHBondContact O-N 2.94Å |
| 494 | Q | 66.2 | Low | 75 | Confident | 46 Ų | 46 | 49.9 Ų | 49.9 | 22% | 0.215 | 25% | 0.248 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 71.3 | 17.3 | 179.9 | -58.3 | 171.5 | -19.4 | 0 | 0 | 117.9 | C370 S451 P452 C453 R492 | C370-Q494 HydrophobicContact CB-CG 3.44Å; C370-Q494 VanDerWaalsContact CB-CG 3.44Å; C370-Q494 PolarHBondContact O-NE2 3.03Å; C370-Q494 VanDerWaalsContact O-NE2 3.09Å; S451-Q494 VanDerWaalsContact OG-CB 3.23Å; S451-Q494 WeakPolarHBondContact OG-CB 3.49Å; S451-Q494 PolarHBondContact OG-OE1 2.83Å; P452-Q494 VanDerWaalsContact CA-O 3.3Å; P452-Q494 WeakPolarHBondContact CA-O 3.31Å; P452-Q494 HydrophobicContact CB-CB 3.94Å; C453-Q494 PolarHBondContact N-O 3.26Å; R492-Q494 PolarHBondContact O-N 2.96Å |
| 495 | V | 77.7 | Confident | 73.7 | Confident | 8 Ų | 8 | 46.3 Ų | 46.3 | 5% | 0.048 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 115.9 | 170.9 | -178.8 | 0 | 0 | 0 | 0 | 109.9 | A447 K448 C453 I455 R492 | A447-V495 HydrophobicContact CB-CG1 3.92Å; A447-V495 HydrophobicContact CB-CG2 4.43Å; K448-V495 HydrophobicContact CG-CG2 4.41Å; C453-V495 WeakPolarHBondContact O-CA 3.33Å; I455-V495 HydrophobicContact CD1-CG1 3.7Å; I455-V495 HydrophobicContact CG1-CG1 4Å; R492-V495 PolarHBondContact O-N 3.46Å; R492-V495 VanDerWaalsContact O-N 3.1Å |
| 496 | F | 81.8 | Confident | 72.1 | Confident | 12 Ų | 12 | 50.4 Ų | 50.4 | 5% | 0.053 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 137.1 | 179.5 | -170.6 | -100.2 | 0 | 0 | 0 | 110.3 | I363 Q393 L395 C453 V454 I455 M498 | I363-F496 HydrophobicContact CD1-CD1 4.2Å; I363-F496 HydrophobicContact CD1-CE1 3.78Å; I363-F496 HydrophobicContact CD1-CZ 4.44Å; I363-F496 HydrophobicContact CG1-CD1 3.78Å; I363-F496 HydrophobicContact CG1-CE1 3.37Å; I363-F496 HydrophobicContact CG1-CE2 4.24Å; I363-F496 HydrophobicContact CG1-CG 4.38Å; I363-F496 HydrophobicContact CG1-CZ 3.65Å; Q393-F496 WeakPolarHBondContact O-CD2 3.31Å; Q393-F496 WeakPolarHBondContact O-CE2 3.29Å; L395-F496 HydrophobicContact CB-CE1 4.25Å; L395-F496 HydrophobicContact CB-CZ 4.04Å; C453-F496 PolarHBondContact O-N 2.98Å; V454-F496 CarbonylContact C-O 3.48Å; V454-F496 WeakPolarHBondContact CA-O 3.46Å; V454-F496 HydrophobicContact CG1-CD1 4.3Å; V454-F496 HydrophobicContact CG2-CB 4.26Å; V454-F496 HydrophobicContact CG2-CD1 4.42Å; I455-F496 PolarHBondContact N-O 3.32Å; F496-M498 HydrophobicContact CD1-CG 3.67Å; F496-M498 HydrophobicContact CD1-SD 4.32Å; F496-M498 HydrophobicContact CE1-CG 3.36Å; F496-M498 HydrophobicContact CE1-SD 4.07Å |
| 497 | V | 86.5 | Confident | 70.2 | Confident | 8 Ų | 8 | 57.2 Ų | 57.2 | 5% | 0.048 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 121.9 | -178.9 | -178.2 | 0 | 0 | 0 | 0 | 109.5 | G394 L395 F444 F457 M486 L532 | G394-V497 VanDerWaalsContact CA-O 3.31Å; G394-V497 WeakPolarHBondContact CA-O 3.42Å; L395-V497 PolarHBondContact N-O 3.24Å; F444-V497 HydrophobicContact CE1-CG2 4.13Å; F444-V497 HydrophobicContact CZ-CG2 4.48Å; F457-V497 HydrophobicContact CD2-CG1 3.89Å; F457-V497 HydrophobicContact CE2-CG1 3.84Å; M486-V497 HydrophobicContact CE-CG1 4.34Å; V497-L532 HydrophobicContact CG1-CD2 4.29Å |
| 498 | M | 88.5 | Confident | 68.3 | Low | 1 Ų | 1 | 64.5 Ų | 64.5 | 1% | 0.005 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 143.7 | 169.6 | -68.1 | 178.1 | 72.5 | 0 | 0 | 109.3 | L359 I363 L395 L397 A409 I412 V454 I455 F456 F457 F496 | L359-M498 HydrophobicContact CD2-CE 4.08Å; I363-M498 HydrophobicContact CD1-CE 4.48Å; I363-M498 HydrophobicContact CD1-SD 3.74Å; L395-M498 HydrophobicContact CB-CG 4.5Å; L395-M498 HydrophobicContact CD2-CE 3.99Å; L395-M498 HydrophobicContact CD2-CG 4.5Å; L395-M498 CarbonylContact O-C 3.57Å; L395-M498 VanDerWaalsContact O-CA 3.29Å; L395-M498 WeakPolarHBondContact O-CA 3.29Å; L397-M498 HydrophobicContact CD1-CE 3.97Å; A409-M498 HydrophobicContact CB-CE 3.8Å; A409-M498 HydrophobicContact CB-SD 4.43Å; I412-M498 HydrophobicContact CD1-CE 4.2Å; V454-M498 HydrophobicContact CG1-CG 4.04Å; V454-M498 HydrophobicContact CG1-SD 3.68Å; I455-M498 PolarHBondContact O-N 3.33Å; I455-M498 VanDerWaalsContact O-O 3.12Å; F456-M498 CarbonylContact C-O 3.59Å; F456-M498 WeakPolarHBondContact CA-O 3.4Å; F456-M498 HydrophobicContact CD2-CB 3.78Å; F457-M498 PolarHBondContact N-O 3.37Å; F496-M498 HydrophobicContact CD1-CG 3.67Å; F496-M498 HydrophobicContact CD1-SD 4.32Å; F496-M498 HydrophobicContact CE1-CG 3.36Å; F496-M498 HydrophobicContact CE1-SD 4.07Å |
| 499 | A | 90 | Very high | 66.7 | Low | 0 Ų | 0 | 67.7 Ų | 67.7 | 0% | 0 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 149.3 | 172.8 | 0 | 0 | 0 | 0 | 0 | 109.9 | L395 L396 L397 F457 I460 L532 | L395-A499 PolarHBondContact O-N 2.78Å; L396-A499 CarbonylContact C-O 3.59Å; L396-A499 WeakPolarHBondContact CA-O 3.4Å; L396-A499 HydrophobicContact CD1-CB 3.75Å; L397-A499 PolarHBondContact N-O 3.2Å; F457-A499 HydrophobicContact CB-CB 4.26Å; F457-A499 CarbonylContact O-C 3.59Å; F457-A499 VanDerWaalsContact O-CA 3.28Å; F457-A499 WeakPolarHBondContact O-CA 3.37Å; I460-A499 HydrophobicContact CB-CB 4.27Å; I460-A499 HydrophobicContact CD1-CB 3.65Å; I460-A499 HydrophobicContact CG2-CB 4.16Å; A499-L532 HydrophobicContact CB-CD1 3.86Å; A499-L532 HydrophobicContact CB-CD2 4.25Å |
| 500 | A | 91 | Very high | 66 | Low | 0 Ų | 0 | 66.8 Ų | 66.8 | 0% | 0 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 141.9 | 171.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | L397 K405 F456 F457 E459 I460 | L397-A500 HydrophobicContact CB-CB 4.26Å; L397-A500 WeakPolarHBondContact O-CA 3.41Å; K405-A500 HydrophobicContact CB-CB 4.18Å; K405-A500 HydrophobicContact CD-CB 4.26Å; F456-A500 HydrophobicContact CE2-CB 3.82Å; F456-A500 HydrophobicContact CZ-CB 3.55Å; F457-A500 PolarHBondContact O-N 2.84Å; E459-A500 PolarHBondContact N-O 3.48Å; E459-A500 VanDerWaalsContact N-O 3.17Å; I460-A500 PolarHBondContact N-O 3.1Å; I460-A500 VanDerWaalsContact N-O 3.07Å |
| 501 | T | 86.8 | Confident | 65.2 | Low | 1 Ų | 1 | 62.3 Ų | 62.3 | 1% | 0.006 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 136.3 | 173.3 | -177.4 | 0 | 0 | 0 | 0 | 111.4 | L396 L397 C398 K405 D461 | L396-T501 HydrophobicContact CD1-CG2 4.09Å; L397-T501 PolarHBondContact O-N 2.8Å; C398-T501 HydrophobicContact CB-CG2 4.35Å; K405-T501 PolarHBondContact NZ-O 3.31Å; D461-T501 WeakPolarHBondContact CB-OG1 3.26Å; D461-T501 VanDerWaalsContact CG-OG1 3.24Å; D461-T501 WeakPolarHBondContact OD1-CA 3.47Å; D461-T501 WeakPolarHBondContact OD1-CB 3.28Å; D461-T501 PolarHBondContact OD1-OG1 3.16Å |
| 502 | N | 84.9 | Confident | 64.2 | Low | 41 Ų | 41 | 68.5 Ų | 68.5 | 22% | 0.219 | 33% | 0.326 | C | S | . | . | trans | -100.1 | -5.4 | -178.5 | -68.6 | -30.2 | 0 | 0 | 0 | 113.6 | P401 K405 Y639 | P401-N502 HydrophobicContact CB-CB 4.43Å; K405-N502 PolarHBondContact NZ-OD1 3.32Å; N502-Y639 PolarHBondContact O-OH 2.75Å | ||
| 503 | R | 72.2 | Confident | 62.7 | Low | 134 Ų | 134 | 70.1 Ų | 70.1 | 51% | 0.506 | 35% | 0.353 | S | S | . | . | P | Polyproline II helix | trans | -103.5 | 122.6 | -177.2 | -66.5 | -177.5 | -168.7 | -170.5 | -0.2 | 110.8 | D461 I521 | D461-R503 WeakPolarHBondContact OD2-CD 3.46Å; D461-R503 WeakPolarHBondContact OD2-CG 3.5Å; D461-R503 IonicContact OD2-NE 2.75Å; D461-R503 PolarHBondContact OD2-NE 3.38Å; R503-I521 HydrophobicContact CB-CD1 3.56Å; R503-I521 HydrophobicContact CB-CG1 4.22Å; R503-I521 HydrophobicContact CG-CD1 4.19Å |
| 504 | P | 62.7 | Low | 61.3 | Low | 24 Ų | 24 | 69.9 Ų | 69.9 | 16% | 0.156 | 36% | 0.358 | C | S | . | . | B | Isolated β-bridge | trans | -69.9 | 144.3 | 167.3 | 28.5 | -22.5 | 0 | 0 | 0 | 108.3 | R638 Y639 | P504-R638 HydrophobicContact CB-CB 4.47Å; P504-R638 HydrophobicContact CG-CB 4.25Å; P504-Y639 HydrophobicContact CB-CD1 4.03Å; P504-Y639 HydrophobicContact CB-CE1 3.66Å; P504-Y639 HydrophobicContact CB-CE2 4.34Å; P504-Y639 WeakPolarHBondContact CD-OH 3.47Å; P504-Y639 HydrophobicContact CG-CD2 4.43Å; P504-Y639 HydrophobicContact CG-CE1 4.07Å; P504-Y639 HydrophobicContact CG-CE2 3.88Å |
| 505 | G | 59 | Low | 59.5 | Low | 10 Ų | 10 | 71.5 Ų | 71.5 | 10% | 0.103 | 37% | 0.374 | C | S | . | . | P | Polyproline II helix | trans | -58 | 147.8 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | Y507 L519 | G505-Y507 PolarHBondContact O-N 3.27Å; G505-L519 WeakPolarHBondContact CA-O 3.47Å; G505-L519 PolarHBondContact N-O 3.43Å |
| 506 | E | 51.6 | Low | 57.6 | Low | 114 Ų | 114 | 81.2 Ų | 81.2 | 53% | 0.533 | 42% | 0.416 | S | S | . | . | P | Polyproline II helix | trans | -68.4 | 122.8 | 170.4 | -74.8 | 177.8 | -179.7 | 0 | 0 | 110 | R508 | E506-R508 PolarHBondContact O-N 2.84Š|
| 507 | Y | 42.6 | Very low | 55.7 | Low | 147 Ų | 147 | 83.2 Ų | 83.2 | 58% | 0.576 | 43% | 0.427 | S | S | * | . | trans | -79.5 | 107 | 166.9 | -173.2 | -103 | 0 | 0 | 0 | 108.6 | G505 S509 | G505-Y507 PolarHBondContact O-N 3.27Å; Y507-S509 VanDerWaalsContact CE1-CB 3.44Å; Y507-S509 WeakPolarHBondContact CE1-OG 3.32Å | ||
| 508 | R | 39.5 | Very low | 53.8 | Low | 214 Ų | 214 | 85.5 Ų | 85.5 | 81% | 0.808 | 44% | 0.443 | S | S | * | . | trans | -92.9 | 102.3 | 168.7 | -147.2 | 173.8 | 179.6 | 145.5 | -1.5 | 107.7 | E506 S510 | E506-R508 PolarHBondContact O-N 2.84Å; R508-S510 PolarHBondContact O-N 3.47Å | ||
| 509 | S | 37.6 | Very low | 52.1 | Low | 92 Ų | 92 | 88 Ų | 88 | 64% | 0.643 | 46% | 0.456 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.6 | 14.6 | -173.1 | -164 | 0 | 0 | 0 | 0 | 115.1 | Y507 | Y507-S509 VanDerWaalsContact CE1-CB 3.44Å; Y507-S509 WeakPolarHBondContact CE1-OG 3.32Å |
| 510 | S | 36 | Very low | 50.5 | Low | 86 Ų | 86 | 88.9 Ų | 88.9 | 60% | 0.601 | 46% | 0.459 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.1 | 5.8 | -163.1 | 61.1 | 0 | 0 | 0 | 0 | 115.9 | R508 | R508-S510 PolarHBondContact O-N 3.47Š|
| 511 | V | 37.3 | Very low | 49.2 | Very low | 91 Ų | 91 | 89.7 Ų | 89.7 | 55% | 0.552 | 46% | 0.464 | S | S | * | . | trans | -128.4 | 95.9 | 177.9 | -171.2 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 512 | I | 34.3 | Very low | 48.6 | Very low | 174 Ų | 174 | 89.7 Ų | 89.7 | 89% | 0.892 | 46% | 0.464 | S | S | * | . | S | Bend | trans | -66.1 | 121.7 | 162.5 | -58.3 | 164.3 | 0 | 0 | 0 | 106.3 | ||
| 513 | G | 30.3 | Very low | 48.2 | Very low | 66 Ų | 66 | 88.2 Ų | 88.2 | 68% | 0.68 | 46% | 0.456 | S | S | * | . | S | Bend | trans | 127.6 | -34.3 | 159.9 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||
| 514 | F | 30.2 | Very low | 48.3 | Very low | 199 Ų | 199 | 85.3 Ų | 85.3 | 87% | 0.873 | 45% | 0.454 | S | S | * | . | trans | -157.5 | 93.9 | 179.4 | -106.8 | -93.4 | 0 | 0 | 0 | 108.7 | ||||
| 515 | S | 28.9 | Very low | 49.2 | Very low | 79 Ų | 79 | 84.8 Ų | 84.8 | 55% | 0.552 | 45% | 0.452 | S | S | * | . | trans | -143.4 | 86 | 175 | -111.1 | 0 | 0 | 0 | 0 | 109.4 | I517 | S515-I517 WeakPolarHBondContact O-CG1 3.28Å; S515-I517 PolarHBondContact O-N 2.75Å | ||
| 516 | F | 38.8 | Very low | 50.2 | Low | 213 Ų | 213 | 84.3 Ų | 84.3 | 93% | 0.934 | 45% | 0.447 | S | S | * | . | trans | -50 | 102.8 | 150.1 | -111.8 | -91.7 | 0 | 0 | 0 | 105.8 | S518 | F516-S518 PolarHBondContact O-N 3.26Š| ||
| 517 | I | 40.4 | Very low | 51.6 | Low | 54 Ų | 54 | 81.1 Ų | 81.1 | 28% | 0.277 | 43% | 0.433 | S | S | . | . | trans | -62.1 | 115 | -161.2 | -54.1 | 166.3 | 0 | 0 | 0 | 106 | S515 L519 | S515-I517 WeakPolarHBondContact O-CG1 3.28Å; S515-I517 PolarHBondContact O-N 2.75Å; I517-L519 HydrophobicContact CB-CD1 3.92Å; I517-L519 HydrophobicContact CB-CD2 4.31Å; I517-L519 HydrophobicContact CB-CG 3.65Å; I517-L519 HydrophobicContact CG2-CB 4.43Å; I517-L519 HydrophobicContact CG2-CD1 4.25Å; I517-L519 HydrophobicContact CG2-CD2 3.72Å; I517-L519 HydrophobicContact CG2-CG 3.45Å; I517-L519 VanDerWaalsContact CG2-CG 3.45Å; I517-L519 WeakPolarHBondContact O-CG 3.22Å; I517-L519 PolarHBondContact O-N 3.08Å | ||
| 518 | S | 48 | Very low | 53.3 | Low | 55 Ų | 55 | 81.8 Ų | 81.8 | 39% | 0.385 | 44% | 0.435 | S | S | . | . | trans | -62.4 | 85.2 | 164.9 | -131.7 | 0 | 0 | 0 | 0 | 105 | R466 F516 | R466-S518 PolarHBondContact NE-OG 3.06Å; R466-S518 VanDerWaalsContact NH1-CB 3.32Å; R466-S518 PolarHBondContact NH1-OG 3.37Å; R466-S518 PolarHBondContact NH2-O 3.43Å; R466-S518 PolarHBondContact NH2-OG 2.84Å; F516-S518 PolarHBondContact O-N 3.26Å | ||
| 519 | L | 52.1 | Low | 55 | Low | 53 Ų | 53 | 77.3 Ų | 77.3 | 28% | 0.277 | 43% | 0.434 | S | S | . | . | trans | -86 | -15.2 | -166.3 | -90.4 | 156 | 0 | 0 | 0 | 113.4 | G505 I517 V642 | G505-L519 WeakPolarHBondContact CA-O 3.47Å; G505-L519 PolarHBondContact N-O 3.43Å; I517-L519 HydrophobicContact CB-CD1 3.92Å; I517-L519 HydrophobicContact CB-CD2 4.31Å; I517-L519 HydrophobicContact CB-CG 3.65Å; I517-L519 HydrophobicContact CG2-CB 4.43Å; I517-L519 HydrophobicContact CG2-CD1 4.25Å; I517-L519 HydrophobicContact CG2-CD2 3.72Å; I517-L519 HydrophobicContact CG2-CG 3.45Å; I517-L519 VanDerWaalsContact CG2-CG 3.45Å; I517-L519 WeakPolarHBondContact O-CG 3.22Å; I517-L519 PolarHBondContact O-N 3.08Å; L519-V642 HydrophobicContact CD2-CB 4.3Å; L519-V642 HydrophobicContact CD2-CG1 3.95Å; L519-V642 HydrophobicContact CD2-CG2 3.9Å | ||
| 520 | Y | 57.5 | Low | 56.6 | Low | 19 Ų | 19 | 73.4 Ų | 73.4 | 8% | 0.075 | 41% | 0.407 | C | S | . | . | B | Isolated β-bridge | trans | -139.4 | 146.7 | -172 | -56.9 | -73.9 | 0 | 0 | 0 | 111.5 | C398 R466 V522 L527 I535 | C398-Y520 HydrophobicContact CB-CE1 3.99Å; C398-Y520 WeakPolarHBondContact SG-CE1 3.13Å; R466-Y520 VanDerWaalsContact CZ-O 3.26Å; R466-Y520 PolarHBondContact NE-O 3.21Å; R466-Y520 PolarHBondContact NH2-O 2.89Å; Y520-V522 PolarHBondContact O-N 3.33Å; Y520-V522 VanDerWaalsContact O-N 3.16Å; Y520-L527 HydrophobicContact CD2-CD1 3.78Å; Y520-I535 HydrophobicContact CE2-CD1 3.99Å |
| 521 | I | 63.5 | Low | 58.8 | Low | 17 Ų | 17 | 70.8 Ų | 70.8 | 9% | 0.087 | 38% | 0.384 | C | S | . | . | S | Bend | trans | -64.8 | -13.6 | 175.2 | -59.8 | -172 | 0 | 0 | 0 | 111.6 | P465 R466 R503 | P465-I521 CarbonylContact C-O 3.57Å; R466-I521 VanDerWaalsContact CG-O 3.31Å; R466-I521 WeakPolarHBondContact CG-O 3.38Å; R466-I521 PolarHBondContact N-O 2.93Å; R503-I521 HydrophobicContact CB-CD1 3.56Å; R503-I521 HydrophobicContact CB-CG1 4.22Å; R503-I521 HydrophobicContact CG-CD1 4.19Å |
| 522 | V | 72.8 | Confident | 60.8 | Low | 1 Ų | 1 | 66.5 Ų | 66.5 | 1% | 0.006 | 36% | 0.358 | C | S | . | . | B | Isolated β-bridge | trans | -69.9 | 143.1 | 175.7 | -172.2 | 0 | 0 | 0 | 0 | 111.5 | I460 C464 Y520 P524 M526 | I460-V522 HydrophobicContact CG2-CG2 4.02Å; C464-V522 HydrophobicContact CB-CG1 4.19Å; C464-V522 WeakPolarHBondContact O-CA 3.15Å; Y520-V522 PolarHBondContact O-N 3.33Å; Y520-V522 VanDerWaalsContact O-N 3.16Å; V522-P524 WeakPolarHBondContact O-CD 3.39Å; V522-M526 HydrophobicContact CG1-CB 3.83Å; V522-M526 HydrophobicContact CG1-CG 3.85Å |
| 523 | D | 76.5 | Confident | 62.8 | Low | 11 Ų | 11 | 60.8 Ų | 60.8 | 6% | 0.059 | 33% | 0.33 | C | S | . | . | trans | -52.1 | 123.5 | 172.3 | -170.7 | -24 | 0 | 0 | 0 | 110.3 | C464 R467 V479 A525 M526 | C464-D523 PolarHBondContact O-N 3.27Å; R467-D523 IonicContact CZ-OD2 3.41Å; R467-D523 IonicContact NE-OD2 3.41Å; R467-D523 PolarHBondContact NE-OD2 3.13Å; R467-D523 IonicContact NH2-OD2 2.65Å; R467-D523 PolarHBondContact NH2-OD2 3.38Å; V479-D523 HydrophobicContact CG1-CB 4.23Å; D523-A525 PolarHBondContact O-N 2.96Å; D523-A525 VanDerWaalsContact OD1-CB 3.29Å; D523-A525 WeakPolarHBondContact OD1-CB 3.42Å; D523-A525 PolarHBondContact OD1-N 3.47Å; D523-M526 HydrophobicContact CB-CG 4.47Å; D523-M526 WeakPolarHBondContact O-CB 3.35Å; D523-M526 PolarHBondContact O-N 3.49Å | ||
| 524 | P | 75.8 | Confident | 65.1 | Low | 73 Ų | 73 | 60.1 Ų | 60.1 | 47% | 0.474 | 31% | 0.308 | S | S | . | . | G | 310 helix | trans | -52.3 | -23.6 | 175.3 | -27.5 | 34.6 | 0 | 0 | 0 | 114.2 | V522 M526 L527 | V522-P524 WeakPolarHBondContact O-CD 3.39Å; P524-M526 PolarHBondContact O-N 3.34Å; P524-L527 PolarHBondContact O-N 2.98Å |
| 525 | A | 80.6 | Confident | 67.6 | Low | 12 Ų | 12 | 52.3 Ų | 52.3 | 10% | 0.099 | 28% | 0.275 | C | S | . | . | G | 310 helix | trans | -55.8 | -39.9 | 172.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | L483 D523 L527 R528 R531 | L483-A525 HydrophobicContact CD1-CB 3.68Å; L483-A525 HydrophobicContact CD2-CB 4.21Å; D523-A525 PolarHBondContact O-N 2.96Å; D523-A525 VanDerWaalsContact OD1-CB 3.29Å; D523-A525 WeakPolarHBondContact OD1-CB 3.42Å; D523-A525 PolarHBondContact OD1-N 3.47Å; A525-L527 PolarHBondContact O-N 3.46Å; A525-R528 PolarHBondContact O-N 2.73Å; A525-R531 VanDerWaalsContact C-NH1 3.3Å; A525-R531 WeakPolarHBondContact O-CD 3.34Å; A525-R531 PolarHBondContact O-NH1 3.05Å |
| 526 | M | 80.4 | Confident | 70.3 | Confident | 1 Ų | 1 | 49.3 Ų | 49.3 | 1% | 0.005 | 25% | 0.253 | C | S | . | . | G | 310 helix | trans | -65.5 | -27.6 | -178 | -63.6 | -66 | -62.1 | 0 | 0 | 113.2 | I460 L482 L483 M486 V522 D523 P524 R528 R531 L532 | I460-M526 HydrophobicContact CD1-CE 3.98Å; L482-M526 HydrophobicContact CD2-CE 3.65Å; L482-M526 HydrophobicContact CD2-SD 4.2Å; L482-M526 HydrophobicContact CG-CE 4.09Å; L483-M526 HydrophobicContact CD2-CG 4.19Å; L483-M526 HydrophobicContact CD2-SD 3.23Å; L483-M526 WeakPolarHBondContact CD2-SD 3.49Å; L483-M526 HydrophobicContact CG-SD 3.85Å; M486-M526 HydrophobicContact CE-CE 4.33Å; M486-M526 HydrophobicContact SD-CE 3.33Å; M486-M526 WeakPolarHBondContact SD-CE 3.33Å; M486-M526 HydrophobicContact SD-SD 4.32Å; V522-M526 HydrophobicContact CG1-CB 3.83Å; V522-M526 HydrophobicContact CG1-CG 3.85Å; D523-M526 HydrophobicContact CB-CG 4.47Å; D523-M526 WeakPolarHBondContact O-CB 3.35Å; D523-M526 PolarHBondContact O-N 3.49Å; P524-M526 PolarHBondContact O-N 3.34Å; M526-R528 VanDerWaalsContact C-N 3.34Å; M526-R531 WeakPolarHBondContact O-CB 3.44Å; M526-L532 HydrophobicContact CB-CD1 4.43Å; M526-L532 HydrophobicContact CE-CD1 4.17Å; M526-L532 WeakPolarHBondContact O-CB 3.47Å; M526-L532 PolarHBondContact O-N 2.83Å |
| 527 | L | 80 | Confident | 72.4 | Confident | 47 Ų | 47 | 42 Ų | 42 | 25% | 0.246 | 22% | 0.219 | C | C | . | . | G | 310 helix | trans | -88.6 | 2.9 | -174.7 | -57.6 | 178 | 0 | 0 | 0 | 113.6 | L396 Y520 P524 A525 L532 I535 | L396-L527 HydrophobicContact CD2-CD2 3.58Å; Y520-L527 HydrophobicContact CD2-CD1 3.78Å; P524-L527 PolarHBondContact O-N 2.98Å; A525-L527 PolarHBondContact O-N 3.46Å; L527-L532 HydrophobicContact CD2-CB 4.46Å; L527-I535 HydrophobicContact CD1-CD1 4.48Å; L527-I535 HydrophobicContact CD2-CD1 3.98Å; L527-I535 HydrophobicContact CD2-CG1 4.4Å |
| 528 | R | 79.3 | Confident | 74.6 | Confident | 161 Ų | 161 | 39.4 Ų | 39.4 | 61% | 0.608 | 21% | 0.206 | S | C | * | . | S | Bend | trans | -70 | 147.6 | 179.1 | -71.2 | -174 | -179.6 | -177.5 | -0.3 | 111.3 | A525 M526 G530 R531 | A525-R528 PolarHBondContact O-N 2.73Å; M526-R528 VanDerWaalsContact C-N 3.34Å; R528-G530 PolarHBondContact O-N 3.29Å; R528-R531 WeakPolarHBondContact O-CB 3.39Å; R528-R531 PolarHBondContact O-N 3.02Å; R528-R531 VanDerWaalsContact O-N 3.09Å |
| 529 | P | 74.3 | Confident | 76.3 | Confident | 120 Ų | 120 | 37.6 Ų | 37.6 | 78% | 0.779 | 20% | 0.196 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -51 | 131 | 177.2 | -27.7 | 34.5 | 0 | 0 | 0 | 112.7 | ||
| 530 | G | 71.6 | Confident | 77.8 | Confident | 9 Ų | 9 | 36.9 Ų | 36.9 | 9% | 0.093 | 19% | 0.192 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 95.4 | -7.6 | -175.7 | 0 | 0 | 0 | 0 | 0 | 115.6 | R492 R528 | R492-G530 PolarHBondContact NH1-O 2.89Å; R492-G530 PolarHBondContact NH2-O 3.27Å; R528-G530 PolarHBondContact O-N 3.29Å |
| 531 | R | 81.5 | Confident | 79.3 | Confident | 31 Ų | 31 | 36.6 Ų | 36.6 | 12% | 0.117 | 19% | 0.192 | C | C | . | . | S | Bend | trans | -108 | -106.4 | 173.9 | -63.4 | 172.1 | -178 | 173.7 | -3.9 | 110.4 | G394 L483 M486 D487 A525 M526 R528 | G394-R531 WeakPolarHBondContact CA-O 3.4Å; G394-R531 PolarHBondContact N-O 3.43Å; L483-R531 VanDerWaalsContact CD2-NH1 3.35Å; M486-R531 HydrophobicContact CE-CB 3.74Å; M486-R531 HydrophobicContact CE-CG 4.47Å; D487-R531 WeakPolarHBondContact OD1-CG 3.48Å; D487-R531 IonicContact OD1-CZ 3.22Å; D487-R531 IonicContact OD1-NE 3.15Å; D487-R531 PolarHBondContact OD1-NE 2.7Å; D487-R531 IonicContact OD1-NH2 2.71Å; D487-R531 IonicContact OD2-CZ 2.97Å; D487-R531 IonicContact OD2-NE 2.9Å; D487-R531 PolarHBondContact OD2-NE 3.07Å; D487-R531 IonicContact OD2-NH2 3.18Å; D487-R531 PolarHBondContact OD2-NH2 3.17Å; A525-R531 VanDerWaalsContact C-NH1 3.3Å; A525-R531 WeakPolarHBondContact O-CD 3.34Å; A525-R531 PolarHBondContact O-NH1 3.05Å; M526-R531 WeakPolarHBondContact O-CB 3.44Å; R528-R531 WeakPolarHBondContact O-CB 3.39Å; R528-R531 PolarHBondContact O-N 3.02Å; R528-R531 VanDerWaalsContact O-N 3.09Å |
| 532 | L | 80.5 | Confident | 80.4 | Confident | 1 Ų | 1 | 41.1 Ų | 41.1 | 1% | 0.005 | 22% | 0.217 | C | C | . | . | S | Bend | trans | -98.4 | 73.3 | 168.9 | -59.9 | 178.1 | 0 | 0 | 0 | 109.2 | G394 L396 I460 M486 V497 A499 M526 L527 | G394-L532 CarbonylContact O-C 3.56Å; G394-L532 WeakPolarHBondContact O-CA 3.3Å; L396-L532 HydrophobicContact CB-CB 4.31Å; L396-L532 HydrophobicContact CB-CD1 4.31Å; L396-L532 HydrophobicContact CD1-CD1 4.22Å; I460-L532 HydrophobicContact CD1-CD1 4.16Å; M486-L532 HydrophobicContact CE-CD2 3.94Å; M486-L532 HydrophobicContact CE-CG 3.94Å; V497-L532 HydrophobicContact CG1-CD2 4.29Å; A499-L532 HydrophobicContact CB-CD1 3.86Å; A499-L532 HydrophobicContact CB-CD2 4.25Å; M526-L532 HydrophobicContact CB-CD1 4.43Å; M526-L532 HydrophobicContact CE-CD1 4.17Å; M526-L532 WeakPolarHBondContact O-CB 3.47Å; M526-L532 PolarHBondContact O-N 2.83Å; L527-L532 HydrophobicContact CD2-CB 4.46Å |
| 533 | D | 76.3 | Confident | 81.2 | Confident | 55 Ų | 55 | 44.1 Ų | 44.1 | 29% | 0.294 | 24% | 0.235 | S | C | . | . | trans | -78 | -34.4 | -175.3 | 53.3 | -12.4 | 0 | 0 | 0 | 112.7 | Q393 G394 | Q393-D533 WeakPolarHBondContact CA-OD1 3.19Å; Q393-D533 VanDerWaalsContact CB-OD1 3.29Å; Q393-D533 WeakPolarHBondContact CB-OD1 3.45Å; Q393-D533 WeakPolarHBondContact CB-OD2 3.09Å; Q393-D533 WeakPolarHBondContact CG-OD2 3.41Å; G394-D533 PolarHBondContact N-OD1 3.15Å; G394-D533 PolarHBondContact O-N 3.27Å; G394-D533 VanDerWaalsContact O-N 3.12Å | ||
| 534 | K | 78.9 | Confident | 81.8 | Confident | 52 Ų | 52 | 49.5 Ų | 49.5 | 23% | 0.226 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 112.6 | -178.2 | -165.4 | 164.3 | -178.3 | 174.4 | 0 | 111.9 | E358 S362 G394 L395 L396 | E358-K534 WeakPolarHBondContact OE2-CE 3.45Å; E358-K534 IonicContact OE2-NZ 2.89Å; E358-K534 PolarHBondContact OE2-NZ 3.46Å; S362-K534 WeakPolarHBondContact OG-CD 3.48Å; S362-K534 WeakPolarHBondContact OG-CE 3.3Å; S362-K534 PolarHBondContact OG-NZ 3.17Å; G394-K534 PolarHBondContact O-N 3.34Å; G394-K534 VanDerWaalsContact O-N 3.14Å; L395-K534 CarbonylContact C-O 3.42Å; L395-K534 VanDerWaalsContact CA-O 3.31Å; L395-K534 WeakPolarHBondContact CA-O 3.2Å; L395-K534 HydrophobicContact CD1-CB 4.12Å; L395-K534 HydrophobicContact CD1-CD 4.06Å; L395-K534 HydrophobicContact CD1-CG 3.98Å; L396-K534 PolarHBondContact N-O 3.48Å |
| 535 | I | 82.5 | Confident | 82.5 | Confident | 35 Ų | 35 | 47.9 Ų | 47.9 | 18% | 0.179 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 112.2 | 178.8 | -51.5 | 172.9 | 0 | 0 | 0 | 109.7 | L396 Y520 L527 K646 | L396-I535 HydrophobicContact CB-CG1 4.37Å; L396-I535 HydrophobicContact CD2-CG1 4.42Å; L396-I535 HydrophobicContact CD2-CG2 4.46Å; L396-I535 CarbonylContact O-C 3.56Å; L396-I535 WeakPolarHBondContact O-CA 3.38Å; Y520-I535 HydrophobicContact CE2-CD1 3.99Å; L527-I535 HydrophobicContact CD1-CD1 4.48Å; L527-I535 HydrophobicContact CD2-CD1 3.98Å; L527-I535 HydrophobicContact CD2-CG1 4.4Å; I535-K646 PolarHBondContact O-NZ 3.09Å |
| 536 | L | 84.2 | Confident | 83 | Confident | 16 Ų | 16 | 47.9 Ų | 47.9 | 8% | 0.084 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 133.5 | 174.5 | -65.4 | -174.8 | 0 | 0 | 0 | 110.8 | V355 E358 L359 L395 L396 L397 C398 | V355-L536 HydrophobicContact CG1-CD1 4.2Å; E358-L536 HydrophobicContact CB-CD1 4.06Å; E358-L536 HydrophobicContact CB-CD2 4.09Å; E358-L536 HydrophobicContact CG-CD2 4.41Å; L359-L536 HydrophobicContact CD1-CD1 4.19Å; L359-L536 HydrophobicContact CD2-CD1 3.61Å; L359-L536 HydrophobicContact CG-CD1 3.53Å; L395-L536 HydrophobicContact CD1-CD1 3.66Å; L395-L536 HydrophobicContact CD1-CG 3.89Å; L395-L536 HydrophobicContact CD2-CD1 4.35Å; L395-L536 HydrophobicContact CG-CD1 4.41Å; L395-L536 HydrophobicContact CG-CG 4.46Å; L396-L536 PolarHBondContact O-N 3.21Å; L397-L536 WeakPolarHBondContact CA-O 3.25Å; L397-L536 HydrophobicContact CD2-CB 4.05Å; L397-L536 HydrophobicContact CD2-CD1 4.49Å; C398-L536 PolarHBondContact N-O 2.87Å |
| 537 | Y | 84 | Confident | 83.5 | Confident | 59 Ų | 59 | 49.9 Ų | 49.9 | 23% | 0.231 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 123.1 | 177.6 | 178.5 | -101.9 | 0 | 0 | 0 | 110.3 | C398 Y639 T643 | C398-Y537 CarbonylContact O-C 3.55Å; C398-Y537 WeakPolarHBondContact O-CA 3.47Å; Y537-Y639 AromaticContact CE2-CD1 3.86Å; Y537-Y639 HydrophobicContact CE2-CD1 3.86Å; Y537-T643 HydrophobicContact CD1-CG2 3.37Å; Y537-T643 HydrophobicContact CD2-CG2 4.1Å; Y537-T643 HydrophobicContact CE1-CG2 3.37Å; Y537-T643 HydrophobicContact CE2-CG2 4.12Å; Y537-T643 HydrophobicContact CG-CG2 3.74Å |
| 538 | V | 86.5 | Confident | 84 | Confident | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 26% | 0.263 | C | S | . | . | trans | -104 | 98.6 | 173.3 | -176.8 | 0 | 0 | 0 | 0 | 107.4 | L352 V355 L397 C398 G399 P400 C403 K405 I408 | L352-V538 HydrophobicContact CD1-CG1 3.75Å; L352-V538 HydrophobicContact CD2-CG1 4.29Å; V355-V538 HydrophobicContact CG1-CG2 4.31Å; L397-V538 HydrophobicContact CD2-CG2 4.18Å; C398-V538 PolarHBondContact O-N 3.37Å; G399-V538 VanDerWaalsContact CA-O 3.26Å; G399-V538 WeakPolarHBondContact CA-O 3.24Å; P400-V538 WeakPolarHBondContact CD-O 3.34Å; C403-V538 HydrophobicContact CB-CG1 3.96Å; K405-V538 HydrophobicContact CG-CB 4.2Å; K405-V538 HydrophobicContact CG-CG1 4.43Å; K405-V538 HydrophobicContact CG-CG2 4.22Å; I408-V538 HydrophobicContact CD1-CG1 4.25Å; I408-V538 HydrophobicContact CD1-CG2 4.27Å | ||
| 539 | G | 82.5 | Confident | 84.5 | Confident | 16 Ų | 16 | 43.2 Ų | 43.2 | 17% | 0.165 | 24% | 0.239 | C | C | . | . | trans | -80.8 | -176.9 | -178.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 540 | L | 85.5 | Confident | 85.3 | Confident | 39 Ų | 39 | 37.5 Ų | 37.5 | 20% | 0.204 | 20% | 0.202 | C | C | . | . | P | Polyproline II helix | trans | -65.3 | 147.6 | 164.8 | -79.2 | -174.7 | 0 | 0 | 0 | 110.7 | P400 I631 L636 | P400-L540 HydrophobicContact CG-CD2 4.43Å; P400-L540 HydrophobicContact CG-CG 4.49Å; L540-I631 HydrophobicContact CD2-CD1 3.55Å; L540-L636 HydrophobicContact CD1-CD1 4.21Å; L540-L636 HydrophobicContact CD1-CD2 3.31Å; L540-L636 HydrophobicContact CD1-CG 4.41Å; L540-L636 HydrophobicContact CG-CD2 3.98Å |
| 541 | P | 87.8 | Confident | 86.2 | Confident | 12 Ų | 12 | 39.4 Ų | 39.4 | 8% | 0.078 | 21% | 0.21 | C | C | . | . | P | Polyproline II helix | trans | -71.3 | 135.6 | 178.2 | 29.1 | -34.2 | 0 | 0 | 0 | 112.3 | D545 R546 I549 F580 | P541-D545 HydrophobicContact CB-CB 3.57Å; P541-R546 HydrophobicContact CB-CG 3.86Å; P541-R546 HydrophobicContact CG-CG 3.78Å; P541-R546 PolarHBondContact O-NH1 3.07Å; P541-I549 HydrophobicContact CB-CD1 3.58Å; P541-I549 HydrophobicContact CG-CD1 4.01Å; P541-F580 WeakPolarHBondContact CG-O 3.3Å |
| 542 | N | 86.7 | Confident | 86.5 | Confident | 113 Ų | 113 | 38.7 Ų | 38.7 | 60% | 0.604 | 21% | 0.21 | S | C | * | . | P | Polyproline II helix | trans | -68.9 | 172.9 | 167.5 | -66.8 | -39 | 0 | 0 | 0 | 111.7 | N544 D545 R546 | N542-N544 VanDerWaalsContact C-N 3.31Å; N542-N544 PolarHBondContact O-N 3.18Å; N542-D545 HydrophobicContact CB-CB 4.45Å; N542-D545 WeakPolarHBondContact CB-OD2 3.48Å; N542-D545 PolarHBondContact N-OD2 2.89Å; N542-D545 WeakPolarHBondContact O-CB 3.43Å; N542-D545 PolarHBondContact O-N 3.03Å; N542-D545 VanDerWaalsContact O-N 3.1Å; N542-R546 WeakPolarHBondContact O-CG 3.5Å; N542-R546 PolarHBondContact O-N 3.4Å |
| 543 | V | 89.1 | Confident | 86.9 | Confident | 63 Ų | 63 | 41 Ų | 41 | 38% | 0.382 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -54 | -47.6 | 179 | -177.1 | 0 | 0 | 0 | 0 | 111.4 | D545 R546 I547 A572 | V543-D545 VanDerWaalsContact C-N 3.35Å; V543-D545 PolarHBondContact O-N 2.76Å; V543-R546 PolarHBondContact O-N 3.18Å; V543-I547 WeakPolarHBondContact O-CG1 3.46Å; V543-I547 PolarHBondContact O-N 3.49Å; V543-I547 VanDerWaalsContact O-N 3.16Å; V543-A572 HydrophobicContact CG1-CB 4.21Å |
| 544 | N | 90.3 | Very high | 87.3 | Confident | 124 Ų | 124 | 38.4 Ų | 38.4 | 66% | 0.663 | 21% | 0.208 | S | C | * | . | H | α-helix | trans | -63.9 | -40.6 | 178.1 | -63.4 | -16.4 | 0 | 0 | 0 | 112 | N542 R546 I547 S548 | N542-N544 VanDerWaalsContact C-N 3.31Å; N542-N544 PolarHBondContact O-N 3.18Å; N544-R546 VanDerWaalsContact C-N 3.33Å; N544-R546 PolarHBondContact O-N 3.06Å; N544-I547 PolarHBondContact O-N 3.45Å; N544-S548 PolarHBondContact O-N 3.49Å |
| 545 | D | 89.7 | Confident | 87.6 | Confident | 39 Ų | 39 | 41.4 Ų | 41.4 | 21% | 0.209 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -62.7 | -41.7 | 176.7 | -62.1 | -27.4 | 0 | 0 | 0 | 111 | A351 P541 N542 V543 I547 S548 I549 | A351-D545 HydrophobicContact CB-CB 3.37Å; P541-D545 HydrophobicContact CB-CB 3.57Å; N542-D545 HydrophobicContact CB-CB 4.45Å; N542-D545 WeakPolarHBondContact CB-OD2 3.48Å; N542-D545 PolarHBondContact N-OD2 2.89Å; N542-D545 WeakPolarHBondContact O-CB 3.43Å; N542-D545 PolarHBondContact O-N 3.03Å; N542-D545 VanDerWaalsContact O-N 3.1Å; V543-D545 VanDerWaalsContact C-N 3.35Å; V543-D545 PolarHBondContact O-N 2.76Å; D545-I547 VanDerWaalsContact C-N 3.32Å; D545-I547 PolarHBondContact O-N 3.48Å; D545-S548 WeakPolarHBondContact O-CB 3.35Å; D545-S548 PolarHBondContact O-N 3.36Å; D545-I549 WeakPolarHBondContact O-CB 3.14Å; D545-I549 WeakPolarHBondContact O-CD1 3.2Å; D545-I549 WeakPolarHBondContact O-CG1 3.27Å; D545-I549 PolarHBondContact O-N 2.87Å |
| 546 | R | 91.2 | Very high | 87.3 | Confident | 13 Ų | 13 | 45.3 Ų | 45.3 | 5% | 0.049 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -61.7 | -39.8 | 176.8 | -68.6 | -165.4 | -71.2 | -98 | 11.6 | 111.8 | P541 N542 V543 N544 I549 L550 A572 L585 | P541-R546 HydrophobicContact CB-CG 3.86Å; P541-R546 HydrophobicContact CG-CG 3.78Å; P541-R546 PolarHBondContact O-NH1 3.07Å; N542-R546 WeakPolarHBondContact O-CG 3.5Å; N542-R546 PolarHBondContact O-N 3.4Å; V543-R546 PolarHBondContact O-N 3.18Å; N544-R546 VanDerWaalsContact C-N 3.33Å; N544-R546 PolarHBondContact O-N 3.06Å; R546-I549 PolarHBondContact O-N 3.09Å; R546-L550 WeakPolarHBondContact O-CB 3.28Å; R546-L550 VanDerWaalsContact O-CG 3.3Å; R546-L550 WeakPolarHBondContact O-CG 3.4Å; R546-L550 PolarHBondContact O-N 3.36Å; R546-A572 HydrophobicContact CB-CB 3.95Å; R546-A572 PolarHBondContact NE-O 3.3Å; R546-A572 VanDerWaalsContact NE-O 3.09Å; R546-A572 PolarHBondContact NH2-O 3.04Å; R546-L585 HydrophobicContact CB-CD1 4.11Å; R546-L585 HydrophobicContact CG-CD1 3.96Å |
| 547 | I | 91.2 | Very high | 87 | Confident | 42 Ų | 42 | 48.4 Ų | 48.4 | 22% | 0.215 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -61.8 | -47.9 | 174.8 | -62.6 | 166.6 | 0 | 0 | 0 | 110 | V543 N544 D545 I549 L550 N551 F568 A569 A572 | V543-I547 WeakPolarHBondContact O-CG1 3.46Å; V543-I547 PolarHBondContact O-N 3.49Å; V543-I547 VanDerWaalsContact O-N 3.16Å; N544-I547 PolarHBondContact O-N 3.45Å; D545-I547 VanDerWaalsContact C-N 3.32Å; D545-I547 PolarHBondContact O-N 3.48Å; I547-I549 VanDerWaalsContact C-N 3.33Å; I547-I549 PolarHBondContact O-N 3.42Å; I547-L550 PolarHBondContact O-N 3.29Å; I547-N551 PolarHBondContact O-N 3.43Å; I547-N551 PolarHBondContact O-ND2 3.45Å; I547-F568 HydrophobicContact CG2-CB 4.4Å; I547-A569 HydrophobicContact CD1-CB 4.19Å; I547-A572 HydrophobicContact CD1-CB 4.39Å; I547-A572 HydrophobicContact CG1-CB 3.57Å |
| 548 | S | 90.3 | Very high | 86.4 | Confident | 47 Ų | 47 | 52 Ų | 52 | 33% | 0.329 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -58.9 | -43.6 | 176.8 | -176 | 0 | 0 | 0 | 0 | 111.9 | A351 N544 D545 N551 A552 | A351-S548 PolarHBondContact N-OG 3.03Å; N544-S548 PolarHBondContact O-N 3.49Å; D545-S548 WeakPolarHBondContact O-CB 3.35Å; D545-S548 PolarHBondContact O-N 3.36Å; S548-N551 PolarHBondContact O-N 2.8Å; S548-A552 WeakPolarHBondContact O-CB 3.47Å; S548-A552 PolarHBondContact O-N 3.02Å |
| 549 | I | 90.9 | Very high | 86 | Confident | 22 Ų | 22 | 57.2 Ų | 57.2 | 11% | 0.113 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -64 | -44.4 | 177.4 | -68.3 | 162.7 | 0 | 0 | 0 | 111.5 | A351 P541 D545 R546 I547 N551 A552 I553 L585 | A351-I549 HydrophobicContact CB-CD1 4.23Å; A351-I549 HydrophobicContact CB-CG1 4.15Å; P541-I549 HydrophobicContact CB-CD1 3.58Å; P541-I549 HydrophobicContact CG-CD1 4.01Å; D545-I549 WeakPolarHBondContact O-CB 3.14Å; D545-I549 WeakPolarHBondContact O-CD1 3.2Å; D545-I549 WeakPolarHBondContact O-CG1 3.27Å; D545-I549 PolarHBondContact O-N 2.87Å; R546-I549 PolarHBondContact O-N 3.09Å; I547-I549 VanDerWaalsContact C-N 3.33Å; I547-I549 PolarHBondContact O-N 3.42Å; I549-N551 VanDerWaalsContact C-N 3.32Å; I549-N551 PolarHBondContact O-N 3.12Å; I549-A552 PolarHBondContact O-N 3.4Å; I549-I553 HydrophobicContact CG2-CD1 3.53Å; I549-I553 HydrophobicContact CG2-CG1 4.23Å; I549-I553 WeakPolarHBondContact O-CB 3.39Å; I549-I553 VanDerWaalsContact O-CG1 3.25Å; I549-I553 WeakPolarHBondContact O-CG1 3.22Å; I549-I553 PolarHBondContact O-N 3.02Å; I549-L585 HydrophobicContact CB-CD1 4.14Å; I549-L585 HydrophobicContact CD1-CD1 4.41Å; I549-L585 HydrophobicContact CG2-CB 4.44Å; I549-L585 HydrophobicContact CG2-CD1 3.76Å |
| 550 | L | 90.3 | Very high | 85.6 | Confident | 0 Ų | 0 | 58.1 Ų | 58.1 | 0% | 0 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -62.9 | -39.3 | 176.8 | -73.2 | 170.9 | 0 | 0 | 0 | 111.8 | R546 I547 T554 F568 I571 L585 V589 | R546-L550 WeakPolarHBondContact O-CB 3.28Å; R546-L550 VanDerWaalsContact O-CG 3.3Å; R546-L550 WeakPolarHBondContact O-CG 3.4Å; R546-L550 PolarHBondContact O-N 3.36Å; I547-L550 PolarHBondContact O-N 3.29Å; L550-T554 WeakPolarHBondContact O-CB 3.21Å; L550-T554 VanDerWaalsContact O-CG2 3.3Å; L550-T554 WeakPolarHBondContact O-CG2 3.1Å; L550-T554 PolarHBondContact O-N 3.27Å; L550-T554 PolarHBondContact O-OG1 3.37Å; L550-F568 HydrophobicContact CB-CD1 3.99Å; L550-F568 HydrophobicContact CB-CE1 4.3Å; L550-F568 HydrophobicContact CB-CG 4.16Å; L550-F568 HydrophobicContact CD1-CB 4.29Å; L550-F568 HydrophobicContact CD1-CD1 4.04Å; L550-F568 HydrophobicContact CD1-CG 4.44Å; L550-I571 HydrophobicContact CD1-CG2 4.29Å; L550-L585 HydrophobicContact CD2-CB 4.34Å; L550-L585 HydrophobicContact CD2-CD2 4.32Å; L550-V589 HydrophobicContact CD2-CG2 3.77Å |
| 551 | N | 90.5 | Very high | 85.2 | Confident | 48 Ų | 48 | 60.6 Ų | 60.6 | 26% | 0.257 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -63.3 | -44.7 | 173.9 | -75.7 | -31.6 | 0 | 0 | 0 | 112 | I547 S548 I549 T554 K555 N556 F568 | I547-N551 PolarHBondContact O-N 3.43Å; I547-N551 PolarHBondContact O-ND2 3.45Å; S548-N551 PolarHBondContact O-N 2.8Å; I549-N551 VanDerWaalsContact C-N 3.32Å; I549-N551 PolarHBondContact O-N 3.12Å; N551-T554 PolarHBondContact O-N 3.44Å; N551-T554 PolarHBondContact O-OG1 2.96Å; N551-K555 WeakPolarHBondContact O-CA 3.03Å; N551-K555 PolarHBondContact O-N 2.91Å; N551-N556 PolarHBondContact O-N 2.8Å; N551-F568 WeakPolarHBondContact OD1-CD2 3.3Å; N551-F568 WeakPolarHBondContact OD1-CE2 3.48Å |
| 552 | A | 88.3 | Confident | 84.8 | Confident | 16 Ų | 16 | 61.2 Ų | 61.2 | 13% | 0.132 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -63.7 | -47 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | S548 I549 T554 K555 | S548-A552 WeakPolarHBondContact O-CB 3.47Å; S548-A552 PolarHBondContact O-N 3.02Å; I549-A552 PolarHBondContact O-N 3.4Å; A552-T554 VanDerWaalsContact C-N 3.34Å; A552-T554 PolarHBondContact O-N 2.88Å; A552-K555 PolarHBondContact O-N 3.44Å |
| 553 | I | 88.5 | Confident | 84.3 | Confident | 50 Ų | 50 | 56.5 Ų | 56.5 | 26% | 0.256 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -62.2 | -42.1 | 179.3 | -68.5 | 167.7 | 0 | 0 | 0 | 111.3 | I549 K555 L585 Q586 V589 | I549-I553 HydrophobicContact CG2-CD1 3.53Å; I549-I553 HydrophobicContact CG2-CG1 4.23Å; I549-I553 WeakPolarHBondContact O-CB 3.39Å; I549-I553 VanDerWaalsContact O-CG1 3.25Å; I549-I553 WeakPolarHBondContact O-CG1 3.22Å; I549-I553 PolarHBondContact O-N 3.02Å; I553-K555 VanDerWaalsContact C-N 3.29Å; I553-K555 PolarHBondContact O-N 2.83Å; I553-L585 HydrophobicContact CD1-CB 4.34Å; I553-Q586 HydrophobicContact CD1-CB 4Å; I553-Q586 HydrophobicContact CG2-CG 4.39Å; I553-V589 HydrophobicContact CG2-CB 4.48Å; I553-V589 HydrophobicContact CG2-CG1 4.46Å; I553-V589 HydrophobicContact CG2-CG2 4.41Å |
| 554 | T | 85.5 | Confident | 83.7 | Confident | 0 Ų | 0 | 62.8 Ų | 62.8 | 0% | 0 | 32% | 0.323 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -85.9 | 0.8 | -177.2 | 61.6 | 0 | 0 | 0 | 0 | 113.8 | L550 N551 A552 N556 K557 Q558 I559 M562 F568 V589 | L550-T554 WeakPolarHBondContact O-CB 3.21Å; L550-T554 VanDerWaalsContact O-CG2 3.3Å; L550-T554 WeakPolarHBondContact O-CG2 3.1Å; L550-T554 PolarHBondContact O-N 3.27Å; L550-T554 PolarHBondContact O-OG1 3.37Å; N551-T554 PolarHBondContact O-N 3.44Å; N551-T554 PolarHBondContact O-OG1 2.96Å; A552-T554 VanDerWaalsContact C-N 3.34Å; A552-T554 PolarHBondContact O-N 2.88Å; T554-N556 VanDerWaalsContact C-N 3.28Å; T554-N556 PolarHBondContact O-N 2.72Å; T554-K557 PolarHBondContact O-N 2.64Å; T554-K557 VanDerWaalsContact O-N 3.15Å; T554-K557 PolarHBondContact OG1-N 3.18Å; T554-Q558 PolarHBondContact O-N 3.17Å; T554-Q558 VanDerWaalsContact O-N 3.09Å; T554-I559 CarbonylContact C-O 3.59Å; T554-I559 WeakPolarHBondContact CA-O 3.21Å; T554-I559 PolarHBondContact O-N 3.25Å; T554-I559 VanDerWaalsContact O-N 3.17Å; T554-M562 HydrophobicContact CG2-CE 3.6Å; T554-F568 HydrophobicContact CG2-CE1 4.42Å; T554-F568 HydrophobicContact CG2-CZ 4Å; T554-V589 HydrophobicContact CG2-CG1 4.15Å; T554-V589 HydrophobicContact CG2-CG2 4.36Å |
| 555 | K | 83.7 | Confident | 83.3 | Confident | 115 Ų | 115 | 62.1 Ų | 62.1 | 50% | 0.5 | 32% | 0.319 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 44.6 | 54 | -171.2 | -63.7 | -173 | 178 | -176.1 | 0 | 111.5 | N551 A552 I553 Q558 I559 | N551-K555 WeakPolarHBondContact O-CA 3.03Å; N551-K555 PolarHBondContact O-N 2.91Å; A552-K555 PolarHBondContact O-N 3.44Å; I553-K555 VanDerWaalsContact C-N 3.29Å; I553-K555 PolarHBondContact O-N 2.83Å; K555-Q558 WeakPolarHBondContact O-CG 3.46Å; K555-I559 HydrophobicContact CD-CD1 4.37Å |
| 556 | N | 77.4 | Confident | 82.9 | Confident | 118 Ų | 118 | 60.4 Ų | 60.4 | 63% | 0.631 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.2 | 54.8 | -175.1 | -58.1 | -31.6 | 0 | 0 | 0 | 113.1 | N551 T554 Q558 | N551-N556 PolarHBondContact O-N 2.8Å; T554-N556 VanDerWaalsContact C-N 3.28Å; T554-N556 PolarHBondContact O-N 2.72Å; N556-Q558 PolarHBondContact O-N 2.83Å |
| 557 | K | 76.9 | Confident | 82.6 | Confident | 80 Ų | 80 | 63.1 Ų | 63.1 | 35% | 0.348 | 33% | 0.325 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 65.1 | 11.3 | 176.2 | -52.9 | -174 | -175.4 | -169.7 | 0 | 116.5 | T554 M562 V566 F568 | T554-K557 PolarHBondContact O-N 2.64Å; T554-K557 VanDerWaalsContact O-N 3.15Å; T554-K557 PolarHBondContact OG1-N 3.18Å; K557-M562 HydrophobicContact CB-CB 4.11Å; K557-M562 HydrophobicContact CB-CG 4.05Å; K557-M562 HydrophobicContact CD-CB 4.35Å; K557-M562 HydrophobicContact CG-CB 4.37Å; K557-M562 HydrophobicContact CG-CG 4.26Å; K557-V566 PolarHBondContact NZ-O 3.3Å; K557-F568 HydrophobicContact CD-CE2 4.18Å; K557-F568 HydrophobicContact CD-CZ 4.47Å; K557-F568 HydrophobicContact CG-CE2 3.56Å; K557-F568 HydrophobicContact CG-CZ 3.74Å |
| 558 | Q | 71.4 | Confident | 82.4 | Confident | 135 Ų | 135 | 61.5 Ų | 61.5 | 63% | 0.631 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.4 | -32.4 | -179.6 | -65.3 | -175.6 | 0.3 | 0 | 0 | 112.2 | T554 K555 N556 | T554-Q558 PolarHBondContact O-N 3.17Å; T554-Q558 VanDerWaalsContact O-N 3.09Å; K555-Q558 WeakPolarHBondContact O-CG 3.46Å; N556-Q558 PolarHBondContact O-N 2.83Å |
| 559 | I | 78.2 | Confident | 82.3 | Confident | 109 Ų | 109 | 61.3 Ų | 61.3 | 56% | 0.559 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -140.2 | 102.1 | -173.4 | -49.5 | 177.9 | 0 | 0 | 0 | 108.7 | T554 K555 | T554-I559 CarbonylContact C-O 3.59Å; T554-I559 WeakPolarHBondContact CA-O 3.21Å; T554-I559 PolarHBondContact O-N 3.25Å; T554-I559 VanDerWaalsContact O-N 3.17Å; K555-I559 HydrophobicContact CD-CD1 4.37Å |
| 560 | P | 73.7 | Confident | 82.1 | Confident | 35 Ų | 35 | 64.5 Ų | 64.5 | 23% | 0.227 | 33% | 0.333 | C | S | . | . | T | Hydrogen-bonded Turn | cis | -74 | 160.2 | -3.2 | 32.3 | -35 | 0 | 0 | 0 | 112.4 | M562 V589 V615 | P560-M562 HydrophobicContact CG-CE 3.54Å; P560-M562 HydrophobicContact CG-SD 4.31Å; P560-M562 PolarHBondContact O-N 3.04Å; P560-M562 VanDerWaalsContact O-N 3.14Å; P560-V589 HydrophobicContact CG-CG1 4.37Å; P560-V615 HydrophobicContact CB-CG2 3.96Å; P560-V615 HydrophobicContact CG-CG2 3.82Å |
| 561 | L | 78.1 | Confident | 82 | Confident | 92 Ų | 92 | 65.1 Ų | 65.1 | 48% | 0.482 | 34% | 0.336 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.4 | 116 | 171.9 | -70.8 | 167.9 | 0 | 0 | 0 | 108.9 | A614 V615 | L561-A614 CarbonylContact O-C 3.3Å; L561-A614 VanDerWaalsContact O-CA 3.3Å; L561-A614 WeakPolarHBondContact O-CA 3.44Å; L561-V615 PolarHBondContact O-N 3.09Å |
| 562 | M | 78.9 | Confident | 81.9 | Confident | 25 Ų | 25 | 62.8 Ų | 62.8 | 12% | 0.123 | 32% | 0.323 | C | S | . | . | B | Isolated β-bridge | trans | -96 | 141.3 | 178.3 | -59.9 | -69.5 | -179.3 | 0 | 0 | 109.8 | T554 K557 P560 V566 V589 V615 F620 | T554-M562 HydrophobicContact CG2-CE 3.6Å; K557-M562 HydrophobicContact CB-CB 4.11Å; K557-M562 HydrophobicContact CB-CG 4.05Å; K557-M562 HydrophobicContact CD-CB 4.35Å; K557-M562 HydrophobicContact CG-CB 4.37Å; K557-M562 HydrophobicContact CG-CG 4.26Å; P560-M562 HydrophobicContact CG-CE 3.54Å; P560-M562 HydrophobicContact CG-SD 4.31Å; P560-M562 PolarHBondContact O-N 3.04Å; P560-M562 VanDerWaalsContact O-N 3.14Å; M562-V566 HydrophobicContact CB-CB 4.35Å; M562-V566 HydrophobicContact CB-CG2 4.43Å; M562-V566 HydrophobicContact SD-CG1 4.43Å; M562-V589 HydrophobicContact CE-CG1 4.27Å; M562-V615 HydrophobicContact SD-CB 3.61Å; M562-V615 HydrophobicContact SD-CG1 3.91Å; M562-V615 HydrophobicContact SD-CG2 4.33Å; M562-F620 HydrophobicContact CE-CE2 4.15Å; M562-F620 HydrophobicContact CE-CZ 3.81Å; M562-F620 HydrophobicContact SD-CE2 3.84Å; M562-F620 HydrophobicContact SD-CZ 4.13Å |
| 563 | G | 75.6 | Confident | 81.9 | Confident | 14 Ų | 14 | 65.1 Ų | 65.1 | 14% | 0.144 | 34% | 0.343 | C | S | . | . | P | Polyproline II helix | trans | -66.8 | 157.9 | 167.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | D565 V566 V615 | G563-D565 PolarHBondContact O-N 2.98Å; G563-D565 VanDerWaalsContact O-N 3.16Å; G563-V566 PolarHBondContact O-N 3.06Å; G563-V566 VanDerWaalsContact O-N 3.17Å; G563-V615 PolarHBondContact N-O 3.2Å |
| 564 | E | 76.6 | Confident | 81.8 | Confident | 195 Ų | 195 | 64.7 Ų | 64.7 | 91% | 0.911 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.1 | -26.3 | 178.3 | -63.3 | -177.3 | 176.1 | 0 | 0 | 112.4 | V566 | E564-V566 PolarHBondContact O-N 3.3Å; E564-V566 VanDerWaalsContact O-N 3.14Å |
| 565 | D | 81.6 | Confident | 81.7 | Confident | 110 Ų | 110 | 73.3 Ų | 73.3 | 59% | 0.588 | 38% | 0.378 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.3 | -14 | 178.2 | -59.6 | -23.8 | 0 | 0 | 0 | 114.8 | G563 D567 | G563-D565 PolarHBondContact O-N 2.98Å; G563-D565 VanDerWaalsContact O-N 3.16Å; D565-D567 PolarHBondContact O-N 2.86Å |
| 566 | V | 81.2 | Confident | 81.6 | Confident | 2 Ų | 2 | 72.2 Ų | 72.2 | 1% | 0.012 | 37% | 0.371 | C | S | . | . | trans | -89.2 | 102.9 | -174 | -176.3 | 0 | 0 | 0 | 0 | 110.7 | K557 M562 G563 E564 F568 I571 V615 F620 | K557-V566 PolarHBondContact NZ-O 3.3Å; M562-V566 HydrophobicContact CB-CB 4.35Å; M562-V566 HydrophobicContact CB-CG2 4.43Å; M562-V566 HydrophobicContact SD-CG1 4.43Å; G563-V566 PolarHBondContact O-N 3.06Å; G563-V566 VanDerWaalsContact O-N 3.17Å; E564-V566 PolarHBondContact O-N 3.3Å; E564-V566 VanDerWaalsContact O-N 3.14Å; V566-F568 HydrophobicContact CG1-CD1 4.34Å; V566-F568 HydrophobicContact CG1-CE1 4.13Å; V566-I571 HydrophobicContact CG1-CD1 3.8Å; V566-V615 WeakPolarHBondContact CG2-O 3.44Å; V566-F620 HydrophobicContact CG1-CD2 4.16Å; V566-F620 HydrophobicContact CG1-CE2 3.73Å; V566-F620 HydrophobicContact CG2-CD2 4.47Å; V566-F620 HydrophobicContact CG2-CE2 4.35Å | ||
| 567 | D | 86.7 | Confident | 81.8 | Confident | 70 Ų | 70 | 66.6 Ų | 66.6 | 37% | 0.374 | 34% | 0.341 | S | S | . | . | trans | -100.8 | 114.5 | 170.4 | -175.4 | 7 | 0 | 0 | 0 | 111.3 | D565 A569 Q570 I571 | D565-D567 PolarHBondContact O-N 2.86Å; D567-A569 VanDerWaalsContact C-N 3.25Å; D567-A569 PolarHBondContact O-N 2.99Å; D567-A569 WeakPolarHBondContact OD1-CB 3.41Å; D567-A569 PolarHBondContact OD1-N 3.23Å; D567-Q570 HydrophobicContact CB-CB 4.47Å; D567-Q570 HydrophobicContact CB-CG 4.22Å; D567-Q570 PolarHBondContact O-N 2.9Å; D567-Q570 WeakPolarHBondContact OD2-CG 3.39Å; D567-Q570 PolarHBondContact OD2-NE2 3.47Å; D567-I571 PolarHBondContact O-N 2.69Å | ||
| 568 | F | 86.6 | Confident | 82 | Confident | 8 Ų | 8 | 66.8 Ų | 66.8 | 4% | 0.035 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -66.7 | -26.1 | 179.5 | -64.6 | -46.8 | 0 | 0 | 0 | 113 | I547 L550 N551 T554 K557 V566 Q570 I571 A572 | I547-F568 HydrophobicContact CG2-CB 4.4Å; L550-F568 HydrophobicContact CB-CD1 3.99Å; L550-F568 HydrophobicContact CB-CE1 4.3Å; L550-F568 HydrophobicContact CB-CG 4.16Å; L550-F568 HydrophobicContact CD1-CB 4.29Å; L550-F568 HydrophobicContact CD1-CD1 4.04Å; L550-F568 HydrophobicContact CD1-CG 4.44Å; N551-F568 WeakPolarHBondContact OD1-CD2 3.3Å; N551-F568 WeakPolarHBondContact OD1-CE2 3.48Å; T554-F568 HydrophobicContact CG2-CE1 4.42Å; T554-F568 HydrophobicContact CG2-CZ 4Å; K557-F568 HydrophobicContact CD-CE2 4.18Å; K557-F568 HydrophobicContact CD-CZ 4.47Å; K557-F568 HydrophobicContact CG-CE2 3.56Å; K557-F568 HydrophobicContact CG-CZ 3.74Å; V566-F568 HydrophobicContact CG1-CD1 4.34Å; V566-F568 HydrophobicContact CG1-CE1 4.13Å; F568-Q570 VanDerWaalsContact C-N 3.3Å; F568-Q570 PolarHBondContact O-N 3.05Å; F568-I571 HydrophobicContact CD1-CD1 4.36Å; F568-I571 PolarHBondContact O-N 2.96Å; F568-A572 WeakPolarHBondContact O-CB 3.43Å; F568-A572 PolarHBondContact O-N 3.47Å |
| 569 | A | 88.2 | Confident | 82.6 | Confident | 43 Ų | 43 | 60.8 Ų | 60.8 | 36% | 0.355 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -63.5 | -40.9 | 176.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | I547 D567 A572 A573 | I547-A569 HydrophobicContact CD1-CB 4.19Å; D567-A569 VanDerWaalsContact C-N 3.25Å; D567-A569 PolarHBondContact O-N 2.99Å; D567-A569 WeakPolarHBondContact OD1-CB 3.41Å; D567-A569 PolarHBondContact OD1-N 3.23Å; A569-A572 PolarHBondContact O-N 3.5Å; A569-A573 WeakPolarHBondContact O-CB 3.32Å; A569-A573 PolarHBondContact O-N 3.41Å |
| 570 | Q | 87.2 | Confident | 83 | Confident | 89 Ų | 89 | 56 Ų | 56 | 42% | 0.416 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -70.3 | -41.2 | 179 | -65.2 | 178.3 | 42 | 0 | 0 | 111.9 | D567 F568 A573 D574 | D567-Q570 HydrophobicContact CB-CB 4.47Å; D567-Q570 HydrophobicContact CB-CG 4.22Å; D567-Q570 PolarHBondContact O-N 2.9Å; D567-Q570 WeakPolarHBondContact OD2-CG 3.39Å; D567-Q570 PolarHBondContact OD2-NE2 3.47Å; F568-Q570 VanDerWaalsContact C-N 3.3Å; F568-Q570 PolarHBondContact O-N 3.05Å; Q570-A573 PolarHBondContact O-N 3.36Å; Q570-D574 PolarHBondContact O-N 3.32Å |
| 571 | I | 88.1 | Confident | 83.8 | Confident | 13 Ų | 13 | 54.3 Ų | 54.3 | 7% | 0.067 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -64.8 | -41.9 | 176.4 | -62.4 | 167.4 | 0 | 0 | 0 | 110.7 | L550 V566 D567 F568 D574 C577 L588 F620 | L550-I571 HydrophobicContact CD1-CG2 4.29Å; V566-I571 HydrophobicContact CG1-CD1 3.8Å; D567-I571 PolarHBondContact O-N 2.69Å; F568-I571 HydrophobicContact CD1-CD1 4.36Å; F568-I571 PolarHBondContact O-N 2.96Å; I571-D574 WeakPolarHBondContact O-CB 3.12Å; I571-D574 PolarHBondContact O-N 3.33Å; I571-C577 PolarHBondContact O-SG 3Å; I571-L588 HydrophobicContact CG2-CD2 4.16Å; I571-F620 HydrophobicContact CD1-CB 4.28Å; I571-F620 HydrophobicContact CD1-CD1 3.91Å; I571-F620 HydrophobicContact CD1-CD2 3.87Å; I571-F620 HydrophobicContact CD1-CE1 4.18Å; I571-F620 HydrophobicContact CD1-CE2 4.12Å; I571-F620 HydrophobicContact CD1-CG 3.75Å; I571-F620 HydrophobicContact CD1-CZ 4.27Å; I571-F620 HydrophobicContact CG2-CD1 4.48Å |
| 572 | A | 87.3 | Confident | 84.3 | Confident | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -70.7 | -30.3 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | V543 R546 I547 F568 A569 | V543-A572 HydrophobicContact CG1-CB 4.21Å; R546-A572 HydrophobicContact CB-CB 3.95Å; R546-A572 PolarHBondContact NE-O 3.3Å; R546-A572 VanDerWaalsContact NE-O 3.09Å; R546-A572 PolarHBondContact NH2-O 3.04Å; I547-A572 HydrophobicContact CD1-CB 4.39Å; I547-A572 HydrophobicContact CG1-CB 3.57Å; F568-A572 WeakPolarHBondContact O-CB 3.43Å; F568-A572 PolarHBondContact O-N 3.47Å; A569-A572 PolarHBondContact O-N 3.5Å |
| 573 | A | 87.6 | Confident | 84.9 | Confident | 65 Ų | 65 | 51.6 Ų | 51.6 | 54% | 0.537 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -80.2 | -13.4 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | A569 Q570 K575 | A569-A573 WeakPolarHBondContact O-CB 3.32Å; A569-A573 PolarHBondContact O-N 3.41Å; Q570-A573 PolarHBondContact O-N 3.36Å; A573-K575 PolarHBondContact O-N 3.44Å |
| 574 | D | 86.5 | Confident | 85.7 | Confident | 41 Ų | 41 | 51.2 Ų | 51.2 | 22% | 0.219 | 28% | 0.277 | C | S | . | . | S | Bend | trans | -59 | 133 | 177.9 | -166.3 | -29.2 | 0 | 0 | 0 | 110.8 | Q570 I571 R576 C577 | Q570-D574 PolarHBondContact O-N 3.32Å; I571-D574 WeakPolarHBondContact O-CB 3.12Å; I571-D574 PolarHBondContact O-N 3.33Å; D574-R576 PolarHBondContact O-N 3.37Å; D574-R576 VanDerWaalsContact O-N 3.15Å; D574-R576 PolarHBondContact OD1-N 3.17Å; D574-R576 IonicContact OD1-NE 3.65Å; D574-R576 PolarHBondContact OD1-NE 3.14Å; D574-R576 IonicContact OD2-CZ 3.61Å; D574-R576 VanDerWaalsContact OD2-CZ 3.22Å; D574-R576 IonicContact OD2-NE 2.64Å; D574-R576 PolarHBondContact OD2-NE 3.16Å; D574-R576 IonicContact OD2-NH2 3.6Å; D574-R576 PolarHBondContact OD2-NH2 2.89Å; D574-C577 WeakPolarHBondContact O-CB 3.42Å; D574-C577 PolarHBondContact O-N 2.91Å |
| 575 | K | 83.4 | Confident | 86.4 | Confident | 180 Ų | 180 | 41.9 Ų | 41.9 | 78% | 0.783 | 23% | 0.234 | S | C | * | . | G | 310 helix | trans | -55.4 | -31.9 | 177.5 | -66.3 | -178 | -179.5 | 178.1 | 0 | 111.6 | A573 C577 T578 | A573-K575 PolarHBondContact O-N 3.44Å; K575-C577 VanDerWaalsContact C-N 3.25Å; K575-C577 PolarHBondContact O-N 2.97Å; K575-T578 WeakPolarHBondContact O-CB 3.49Å; K575-T578 VanDerWaalsContact O-CG2 3.28Å; K575-T578 WeakPolarHBondContact O-CG2 3.32Å; K575-T578 PolarHBondContact O-N 3.35Å; K575-T578 PolarHBondContact O-OG1 3.23Å |
| 576 | R | 82.8 | Confident | 86.8 | Confident | 93 Ų | 93 | 42.3 Ų | 42.3 | 35% | 0.351 | 23% | 0.232 | S | C | . | . | G | 310 helix | trans | -62.8 | -30.7 | 178.1 | -65.3 | -179.9 | -74.1 | 179.2 | -0.4 | 112.6 | D574 T578 F580 D621 L624 | D574-R576 PolarHBondContact O-N 3.37Å; D574-R576 VanDerWaalsContact O-N 3.15Å; D574-R576 PolarHBondContact OD1-N 3.17Å; D574-R576 IonicContact OD1-NE 3.65Å; D574-R576 PolarHBondContact OD1-NE 3.14Å; D574-R576 IonicContact OD2-CZ 3.61Å; D574-R576 VanDerWaalsContact OD2-CZ 3.22Å; D574-R576 IonicContact OD2-NE 2.64Å; D574-R576 PolarHBondContact OD2-NE 3.16Å; D574-R576 IonicContact OD2-NH2 3.6Å; D574-R576 PolarHBondContact OD2-NH2 2.89Å; R576-T578 VanDerWaalsContact C-N 3.34Å; R576-T578 PolarHBondContact O-N 2.9Å; R576-F580 WeakPolarHBondContact O-CE1 3.21Å; R576-D621 IonicContact NH2-OD1 2.8Å; R576-D621 PolarHBondContact NH2-OD1 3.14Å; R576-D621 VanDerWaalsContact NH2-OD1 3.15Å; R576-L624 HydrophobicContact CB-CD2 4.49Å; R576-L624 VanDerWaalsContact NH2-CD1 3.29Å |
| 577 | C | 82.3 | Confident | 87.4 | Confident | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 25% | 0.248 | C | C | . | . | G | 310 helix | trans | -86.7 | 0.6 | -177.6 | -64.3 | 0 | 0 | 0 | 0 | 114.1 | I571 D574 K575 S579 F580 L624 | I571-C577 PolarHBondContact O-SG 3Å; D574-C577 WeakPolarHBondContact O-CB 3.42Å; D574-C577 PolarHBondContact O-N 2.91Å; K575-C577 VanDerWaalsContact C-N 3.25Å; K575-C577 PolarHBondContact O-N 2.97Å; C577-S579 VanDerWaalsContact C-N 3.26Å; C577-S579 PolarHBondContact O-N 3.31Å; C577-F580 HydrophobicContact CB-CD2 4.42Å; C577-F580 PolarHBondContact O-N 3.27Å; C577-L624 WeakPolarHBondContact SG-CD2 3.41Å |
| 578 | T | 80.6 | Confident | 87.6 | Confident | 83 Ų | 83 | 40.8 Ų | 40.8 | 51% | 0.509 | 23% | 0.23 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.7 | -32 | -170.4 | 47.7 | 0 | 0 | 0 | 0 | 113.9 | K575 R576 | K575-T578 WeakPolarHBondContact O-CB 3.49Å; K575-T578 VanDerWaalsContact O-CG2 3.28Å; K575-T578 WeakPolarHBondContact O-CG2 3.32Å; K575-T578 PolarHBondContact O-N 3.35Å; K575-T578 PolarHBondContact O-OG1 3.23Å; R576-T578 VanDerWaalsContact C-N 3.34Å; R576-T578 PolarHBondContact O-N 2.9Å |
| 579 | S | 82.5 | Confident | 87.9 | Confident | 10 Ų | 10 | 40.9 Ų | 40.9 | 7% | 0.07 | 23% | 0.231 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -104.2 | 10.5 | -179.5 | 56.5 | 0 | 0 | 0 | 0 | 114 | C577 S629 | C577-S579 VanDerWaalsContact C-N 3.26Å; C577-S579 PolarHBondContact O-N 3.31Å; S579-S629 WeakPolarHBondContact OG-CB 3.4Å; S579-S629 PolarHBondContact OG-OG 3.38Å |
| 580 | F | 88 | Confident | 88.1 | Confident | 7 Ų | 7 | 47.5 Ų | 47.5 | 3% | 0.031 | 25% | 0.247 | C | C | . | . | trans | -77 | 129.6 | -174.3 | -78.1 | 20.9 | 0 | 0 | 0 | 111 | P541 R576 C577 D584 L585 L588 L624 V627 | P541-F580 WeakPolarHBondContact CG-O 3.3Å; R576-F580 WeakPolarHBondContact O-CE1 3.21Å; C577-F580 HydrophobicContact CB-CD2 4.42Å; C577-F580 PolarHBondContact O-N 3.27Å; F580-D584 HydrophobicContact CB-CB 3.91Å; F580-D584 HydrophobicContact CD2-CB 4.15Å; F580-D584 HydrophobicContact CG-CB 3.95Å; F580-L585 HydrophobicContact CB-CD2 4.25Å; F580-L585 HydrophobicContact CB-CG 4.33Å; F580-L585 HydrophobicContact CD2-CD2 4.22Å; F580-L588 HydrophobicContact CE2-CD2 4.35Å; F580-L624 HydrophobicContact CE2-CD2 4.05Å; F580-L624 HydrophobicContact CZ-CD2 4.42Å; F580-V627 HydrophobicContact CE2-CG1 4.28Å; F580-V627 HydrophobicContact CZ-CG1 4.35Å | ||
| 581 | S | 89.7 | Confident | 88.4 | Confident | 1 Ų | 1 | 45.5 Ų | 45.5 | 1% | 0.007 | 24% | 0.237 | C | C | . | . | trans | -77.3 | 169.3 | 168.4 | 67.4 | 0 | 0 | 0 | 0 | 111.4 | A583 D584 L585 | S581-A583 PolarHBondContact O-N 3.47Å; S581-D584 WeakPolarHBondContact CB-OD2 3.48Å; S581-D584 PolarHBondContact N-OD2 3.02Å; S581-D584 PolarHBondContact O-N 2.87Å; S581-D584 PolarHBondContact OG-N 2.95Å; S581-D584 PolarHBondContact OG-OD2 3.37Å; S581-L585 PolarHBondContact O-N 2.86Å | ||
| 582 | G | 89.5 | Confident | 88.5 | Confident | 17 Ų | 17 | 44.9 Ų | 44.9 | 18% | 0.175 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -57.8 | -35.8 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | G402 L585 Q586 | G402-G582 PolarHBondContact O-N 3.38Å; G582-L585 PolarHBondContact O-N 3.06Å; G582-Q586 PolarHBondContact O-N 3.11Å |
| 583 | A | 90.6 | Very high | 88.7 | Confident | 43 Ų | 43 | 46.3 Ų | 46.3 | 36% | 0.355 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -67.3 | -37.9 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | G402 S581 Q586 A587 | G402-A583 PolarHBondContact O-N 2.89Å; S581-A583 PolarHBondContact O-N 3.47Å; A583-Q586 PolarHBondContact O-N 3.39Å; A583-A587 WeakPolarHBondContact O-CB 3.48Å; A583-A587 PolarHBondContact O-N 2.94Å |
| 584 | D | 92.5 | Very high | 88.8 | Confident | 5 Ų | 5 | 45.4 Ų | 45.4 | 3% | 0.027 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -67.2 | -39 | 176.2 | -59.8 | -45.8 | 0 | 0 | 0 | 111.2 | F580 S581 Q586 A587 L588 S630 | F580-D584 HydrophobicContact CB-CB 3.91Å; F580-D584 HydrophobicContact CD2-CB 4.15Å; F580-D584 HydrophobicContact CG-CB 3.95Å; S581-D584 WeakPolarHBondContact CB-OD2 3.48Å; S581-D584 PolarHBondContact N-OD2 3.02Å; S581-D584 PolarHBondContact O-N 2.87Å; S581-D584 PolarHBondContact OG-N 2.95Å; S581-D584 PolarHBondContact OG-OD2 3.37Å; D584-Q586 VanDerWaalsContact C-N 3.33Å; D584-A587 WeakPolarHBondContact O-CB 3.46Å; D584-A587 PolarHBondContact O-N 3.25Å; D584-L588 WeakPolarHBondContact O-CB 3.42Å; D584-L588 PolarHBondContact O-N 3.33Å; D584-S630 VanDerWaalsContact OD1-CB 3.22Å; D584-S630 WeakPolarHBondContact OD1-CB 3.47Å; D584-S630 PolarHBondContact OD1-N 2.97Å; D584-S630 PolarHBondContact OD1-OG 2.85Å; D584-S630 PolarHBondContact OD2-N 3.18Å |
| 585 | L | 91.5 | Very high | 89 | Confident | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -63.9 | -39.3 | 173.7 | -68 | 172.4 | 0 | 0 | 0 | 111.8 | R546 I549 L550 I553 F580 S581 G582 L588 V589 | R546-L585 HydrophobicContact CB-CD1 4.11Å; R546-L585 HydrophobicContact CG-CD1 3.96Å; I549-L585 HydrophobicContact CB-CD1 4.14Å; I549-L585 HydrophobicContact CD1-CD1 4.41Å; I549-L585 HydrophobicContact CG2-CB 4.44Å; I549-L585 HydrophobicContact CG2-CD1 3.76Å; L550-L585 HydrophobicContact CD2-CB 4.34Å; L550-L585 HydrophobicContact CD2-CD2 4.32Å; I553-L585 HydrophobicContact CD1-CB 4.34Å; F580-L585 HydrophobicContact CB-CD2 4.25Å; F580-L585 HydrophobicContact CB-CG 4.33Å; F580-L585 HydrophobicContact CD2-CD2 4.22Å; S581-L585 PolarHBondContact O-N 2.86Å; G582-L585 PolarHBondContact O-N 3.06Å; L585-L588 WeakPolarHBondContact O-CB 3.46Å; L585-L588 PolarHBondContact O-N 3.14Å; L585-V589 WeakPolarHBondContact O-CG2 3.5Å; L585-V589 PolarHBondContact O-N 3.22Å |
| 586 | Q | 90.9 | Very high | 89.2 | Confident | 118 Ų | 118 | 36.5 Ų | 36.5 | 55% | 0.551 | 19% | 0.193 | S | C | * | . | H | α-helix | trans | -64.9 | -41 | 174.1 | -169.2 | 177 | 14.9 | 0 | 0 | 111.6 | I553 G582 A583 D584 L588 V589 R590 | I553-Q586 HydrophobicContact CD1-CB 4Å; I553-Q586 HydrophobicContact CG2-CG 4.39Å; G582-Q586 PolarHBondContact O-N 3.11Å; A583-Q586 PolarHBondContact O-N 3.39Å; D584-Q586 VanDerWaalsContact C-N 3.33Å; Q586-L588 VanDerWaalsContact C-N 3.32Å; Q586-V589 PolarHBondContact O-N 3.29Å; Q586-R590 WeakPolarHBondContact O-CB 3.43Å; Q586-R590 PolarHBondContact O-N 3Å |
| 587 | A | 92.1 | Very high | 89.5 | Confident | 41 Ų | 41 | 35.5 Ų | 35.5 | 34% | 0.339 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -63.6 | -37.8 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | A583 D584 R590 E591 V627 | A583-A587 WeakPolarHBondContact O-CB 3.48Å; A583-A587 PolarHBondContact O-N 2.94Å; D584-A587 WeakPolarHBondContact O-CB 3.46Å; D584-A587 PolarHBondContact O-N 3.25Å; A587-R590 PolarHBondContact O-N 3.35Å; A587-E591 WeakPolarHBondContact O-CB 3.28Å; A587-E591 PolarHBondContact O-N 3.42Å; A587-V627 HydrophobicContact CB-CG1 4.46Å |
| 588 | L | 92.8 | Very high | 89.7 | Confident | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -61.7 | -49.1 | 175.6 | -179.2 | 68.3 | 0 | 0 | 0 | 112.1 | I571 F580 D584 L585 Q586 R590 E591 A592 F620 A623 L624 V627 | I571-L588 HydrophobicContact CG2-CD2 4.16Å; F580-L588 HydrophobicContact CE2-CD2 4.35Å; D584-L588 WeakPolarHBondContact O-CB 3.42Å; D584-L588 PolarHBondContact O-N 3.33Å; L585-L588 WeakPolarHBondContact O-CB 3.46Å; L585-L588 PolarHBondContact O-N 3.14Å; Q586-L588 VanDerWaalsContact C-N 3.32Å; L588-R590 VanDerWaalsContact C-N 3.28Å; L588-R590 PolarHBondContact O-N 3.15Å; L588-E591 PolarHBondContact O-N 2.76Å; L588-A592 WeakPolarHBondContact O-CB 3.18Å; L588-A592 PolarHBondContact O-N 3.4Å; L588-F620 HydrophobicContact CD2-CD1 4.31Å; L588-F620 HydrophobicContact CG-CD1 4.17Å; L588-F620 HydrophobicContact CG-CE1 4.43Å; L588-A623 HydrophobicContact CD1-CB 3.73Å; L588-L624 HydrophobicContact CD1-CB 4.45Å; L588-L624 HydrophobicContact CD1-CD2 3.65Å; L588-L624 HydrophobicContact CD1-CG 3.8Å; L588-L624 HydrophobicContact CD2-CD2 3.74Å; L588-L624 HydrophobicContact CD2-CG 4.39Å; L588-L624 HydrophobicContact CG-CD2 4.36Å; L588-V627 HydrophobicContact CD1-CG2 4.46Å |
| 589 | V | 92.3 | Very high | 90 | Very high | 9 Ų | 9 | 41.1 Ų | 41.1 | 6% | 0.055 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -61.6 | -40.3 | 176.5 | 174.3 | 0 | 0 | 0 | 0 | 110.7 | L550 I553 T554 P560 M562 L585 Q586 A592 S593 F620 | L550-V589 HydrophobicContact CD2-CG2 3.77Å; I553-V589 HydrophobicContact CG2-CB 4.48Å; I553-V589 HydrophobicContact CG2-CG1 4.46Å; I553-V589 HydrophobicContact CG2-CG2 4.41Å; T554-V589 HydrophobicContact CG2-CG1 4.15Å; T554-V589 HydrophobicContact CG2-CG2 4.36Å; P560-V589 HydrophobicContact CG-CG1 4.37Å; M562-V589 HydrophobicContact CE-CG1 4.27Å; L585-V589 WeakPolarHBondContact O-CG2 3.5Å; L585-V589 PolarHBondContact O-N 3.22Å; Q586-V589 PolarHBondContact O-N 3.29Å; V589-A592 PolarHBondContact O-N 3.38Å; V589-S593 WeakPolarHBondContact O-CB 3.43Å; V589-S593 PolarHBondContact O-N 2.57Å; V589-F620 HydrophobicContact CG2-CE1 4.26Å |
| 590 | R | 91.9 | Very high | 90.2 | Very high | 183 Ų | 183 | 42.4 Ų | 42.4 | 69% | 0.691 | 21% | 0.213 | S | C | * | . | H | α-helix | trans | -62.8 | -48.6 | 176.4 | -175.9 | 179.2 | 178 | 175.5 | -0.6 | 111.8 | Q586 A587 L588 A592 S593 V594 | Q586-R590 WeakPolarHBondContact O-CB 3.43Å; Q586-R590 PolarHBondContact O-N 3Å; A587-R590 PolarHBondContact O-N 3.35Å; L588-R590 VanDerWaalsContact C-N 3.28Å; L588-R590 PolarHBondContact O-N 3.15Å; R590-A592 PolarHBondContact O-N 3.2Å; R590-S593 PolarHBondContact O-N 3.26Å; R590-S593 PolarHBondContact O-OG 3.42Å; R590-V594 WeakPolarHBondContact O-CG2 3.22Å; R590-V594 PolarHBondContact O-N 3.5Å |
| 591 | E | 92.9 | Very high | 90 | Very high | 47 Ų | 47 | 47.9 Ų | 47.9 | 22% | 0.22 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -64.5 | -41.1 | 179.5 | -172.4 | 63.5 | -161.5 | 0 | 0 | 111.1 | A587 L588 S593 V594 E595 A623 K626 V627 | A587-E591 WeakPolarHBondContact O-CB 3.28Å; A587-E591 PolarHBondContact O-N 3.42Å; L588-E591 PolarHBondContact O-N 2.76Å; E591-S593 VanDerWaalsContact C-N 3.28Å; E591-S593 PolarHBondContact O-N 3.23Å; E591-V594 PolarHBondContact O-N 3.25Å; E591-V594 VanDerWaalsContact O-N 3.12Å; E591-E595 WeakPolarHBondContact O-CG 3.49Å; E591-E595 PolarHBondContact O-N 3.26Å; E591-A623 HydrophobicContact CB-CB 3.93Å; E591-A623 HydrophobicContact CG-CB 3.91Å; E591-K626 HydrophobicContact CG-CB 4.34Å; E591-K626 HydrophobicContact CG-CD 4.03Å; E591-K626 WeakPolarHBondContact OE1-CD 3.34Å; E591-K626 IonicContact OE1-NZ 3.71Å; E591-K626 PolarHBondContact OE1-NZ 3.31Å; E591-V627 HydrophobicContact CB-CG2 4Å; E591-V627 HydrophobicContact CG-CG2 4.35Å |
| 592 | A | 91.1 | Very high | 89.7 | Confident | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -59.1 | -39.6 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112 | L588 V589 R590 E595 A596 V615 H619 F620 A623 | L588-A592 WeakPolarHBondContact O-CB 3.18Å; L588-A592 PolarHBondContact O-N 3.4Å; V589-A592 PolarHBondContact O-N 3.38Å; R590-A592 PolarHBondContact O-N 3.2Å; A592-E595 PolarHBondContact O-N 2.91Å; A592-A596 WeakPolarHBondContact O-CB 3.42Å; A592-A596 PolarHBondContact O-N 3.39Å; A592-V615 HydrophobicContact CB-CG1 3.96Å; A592-H619 HydrophobicContact CB-CB 4.34Å; A592-F620 HydrophobicContact CB-CD1 3.94Å; A592-F620 HydrophobicContact CB-CD2 4.3Å; A592-F620 HydrophobicContact CB-CE1 3.99Å; A592-F620 HydrophobicContact CB-CE2 4.34Å; A592-F620 HydrophobicContact CB-CG 4.1Å; A592-F620 HydrophobicContact CB-CZ 4.2Å; A592-A623 HydrophobicContact CB-CB 4.04Å |
| 593 | S | 90.7 | Very high | 89.1 | Confident | 30 Ų | 30 | 52.8 Ų | 52.8 | 21% | 0.21 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -67.5 | -35.3 | 175.5 | 73.9 | 0 | 0 | 0 | 0 | 113.3 | V589 R590 E591 A596 L597 | V589-S593 WeakPolarHBondContact O-CB 3.43Å; V589-S593 PolarHBondContact O-N 2.57Å; R590-S593 PolarHBondContact O-N 3.26Å; R590-S593 PolarHBondContact O-OG 3.42Å; E591-S593 VanDerWaalsContact C-N 3.28Å; E591-S593 PolarHBondContact O-N 3.23Å; S593-A596 PolarHBondContact O-N 3.43Å; S593-L597 WeakPolarHBondContact O-CB 3.4Å; S593-L597 WeakPolarHBondContact O-CG 3.5Å; S593-L597 PolarHBondContact O-N 3.47Å |
| 594 | V | 91.1 | Very high | 88 | Confident | 46 Ų | 46 | 55.9 Ų | 55.9 | 28% | 0.279 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -68.8 | -41.8 | 176.2 | 171.7 | 0 | 0 | 0 | 0 | 110.5 | R590 E591 L597 R598 | R590-V594 WeakPolarHBondContact O-CG2 3.22Å; R590-V594 PolarHBondContact O-N 3.5Å; E591-V594 PolarHBondContact O-N 3.25Å; E591-V594 VanDerWaalsContact O-N 3.12Å; V594-L597 PolarHBondContact O-N 3.03Å; V594-R598 HydrophobicContact CG1-CG 4.47Å; V594-R598 WeakPolarHBondContact O-CG 3.49Å; V594-R598 PolarHBondContact O-N 2.82Å |
| 595 | E | 89.8 | Confident | 86.5 | Confident | 26 Ų | 26 | 63.9 Ų | 63.9 | 12% | 0.121 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -65.7 | -38.5 | 176.3 | -65.5 | -58.2 | 108 | 0 | 0 | 112 | E591 A592 L597 R598 E599 H619 I622 K626 | E591-E595 WeakPolarHBondContact O-CG 3.49Å; E591-E595 PolarHBondContact O-N 3.26Å; A592-E595 PolarHBondContact O-N 2.91Å; E595-L597 VanDerWaalsContact C-N 3.35Å; E595-L597 PolarHBondContact O-N 3.34Å; E595-R598 PolarHBondContact O-N 2.86Å; E595-R598 WeakPolarHBondContact OE1-CD 3.49Å; E595-R598 IonicContact OE1-CZ 2.62Å; E595-R598 IonicContact OE1-NE 2.9Å; E595-R598 IonicContact OE1-NH1 3.28Å; E595-R598 PolarHBondContact OE1-NH1 2.63Å; E595-E599 PolarHBondContact O-N 3.19Å; E595-H619 HydrophobicContact CB-CB 4.36Å; E595-I622 HydrophobicContact CG-CG2 3.99Å; E595-I622 WeakPolarHBondContact OE2-CG2 3.24Å; E595-K626 IonicContact OE1-NZ 2.76Å; E595-K626 PolarHBondContact OE1-NZ 2.99Å; E595-K626 IonicContact OE2-NZ 3.02Å; E595-K626 PolarHBondContact OE2-NZ 3.5Å |
| 596 | A | 88.5 | Confident | 85.1 | Confident | 7 Ų | 7 | 70.7 Ų | 70.7 | 6% | 0.058 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -61.9 | -41.9 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | A592 S593 E599 F600 V615 H619 | A592-A596 WeakPolarHBondContact O-CB 3.42Å; A592-A596 PolarHBondContact O-N 3.39Å; S593-A596 PolarHBondContact O-N 3.43Å; A596-E599 PolarHBondContact O-N 3.32Å; A596-F600 WeakPolarHBondContact O-CB 3.38Å; A596-F600 PolarHBondContact O-N 3.01Å; A596-V615 HydrophobicContact CB-CB 4.44Å; A596-V615 HydrophobicContact CB-CG2 3.89Å; A596-H619 WeakPolarHBondContact CB-ND1 3.45Å |
| 597 | L | 88.4 | Confident | 83.4 | Confident | 73 Ų | 73 | 72.5 Ų | 72.5 | 38% | 0.382 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -67.5 | -39.8 | 175.9 | -76.3 | 171.3 | 0 | 0 | 0 | 112.6 | S593 V594 E595 E599 F600 F601 P613 | S593-L597 WeakPolarHBondContact O-CB 3.4Å; S593-L597 WeakPolarHBondContact O-CG 3.5Å; S593-L597 PolarHBondContact O-N 3.47Å; V594-L597 PolarHBondContact O-N 3.03Å; E595-L597 VanDerWaalsContact C-N 3.35Å; E595-L597 PolarHBondContact O-N 3.34Å; L597-E599 VanDerWaalsContact C-N 3.33Å; L597-E599 PolarHBondContact O-N 2.98Å; L597-F600 WeakPolarHBondContact O-CB 3.42Å; L597-F600 PolarHBondContact O-N 2.94Å; L597-F601 HydrophobicContact CB-CE2 4.4Å; L597-F601 WeakPolarHBondContact O-CD2 3.42Å; L597-F601 PolarHBondContact O-N 3.29Å; L597-P613 HydrophobicContact CD2-CB 4.21Å; L597-P613 HydrophobicContact CD2-CG 4.42Å |
| 598 | R | 87.1 | Confident | 81.6 | Confident | 146 Ų | 146 | 75.6 Ų | 75.6 | 55% | 0.551 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -60.5 | -44.5 | 175.6 | -77.4 | 173.4 | 177.4 | -178.7 | -5.1 | 111.4 | V594 E595 F600 F601 A602 | V594-R598 HydrophobicContact CG1-CG 4.47Å; V594-R598 WeakPolarHBondContact O-CG 3.49Å; V594-R598 PolarHBondContact O-N 2.82Å; E595-R598 PolarHBondContact O-N 2.86Å; E595-R598 WeakPolarHBondContact OE1-CD 3.49Å; E595-R598 IonicContact OE1-CZ 2.62Å; E595-R598 IonicContact OE1-NE 2.9Å; E595-R598 IonicContact OE1-NH1 3.28Å; E595-R598 PolarHBondContact OE1-NH1 2.63Å; R598-F600 VanDerWaalsContact C-N 3.34Å; R598-F601 PolarHBondContact O-N 3.49Å; R598-A602 PolarHBondContact O-N 3.5Å; R598-A602 VanDerWaalsContact O-N 3.08Å |
| 599 | E | 86.8 | Confident | 79.5 | Confident | 55 Ų | 55 | 79.4 Ų | 79.4 | 26% | 0.257 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -63 | -41.9 | 174.7 | -170.9 | -176.6 | 154.7 | 0 | 0 | 111.5 | E595 A596 L597 A602 Q603 K618 H619 | E595-E599 PolarHBondContact O-N 3.19Å; A596-E599 PolarHBondContact O-N 3.32Å; L597-E599 VanDerWaalsContact C-N 3.33Å; L597-E599 PolarHBondContact O-N 2.98Å; E599-A602 PolarHBondContact O-N 3.34Å; E599-Q603 WeakPolarHBondContact O-CG 3.41Å; E599-Q603 PolarHBondContact O-N 3Å; E599-Q603 PolarHBondContact OE1-NE2 3.28Å; E599-K618 IonicContact OE1-NZ 2.93Å; E599-K618 PolarHBondContact OE1-NZ 3.45Å; E599-K618 WeakPolarHBondContact OE2-CE 3.41Å; E599-K618 IonicContact OE2-NZ 3.75Å; E599-K618 PolarHBondContact OE2-NZ 2.88Å; E599-H619 IonicContact OE2-CD2 3.92Å; E599-H619 IonicContact OE2-CE1 2.86Å; E599-H619 IonicContact OE2-NE2 3.79Å; E599-H619 PolarHBondContact OE2-NE2 2.8Å |
| 600 | F | 85.3 | Confident | 77.6 | Confident | 36 Ų | 36 | 84.9 Ų | 84.9 | 16% | 0.158 | 43% | 0.434 | C | S | . | . | H | α-helix | trans | -62 | -44.4 | 177.4 | -178.9 | -106 | 0 | 0 | 0 | 112.9 | A596 L597 R598 A602 Q603 Q604 R611 P613 | A596-F600 WeakPolarHBondContact O-CB 3.38Å; A596-F600 PolarHBondContact O-N 3.01Å; L597-F600 WeakPolarHBondContact O-CB 3.42Å; L597-F600 PolarHBondContact O-N 2.94Å; R598-F600 VanDerWaalsContact C-N 3.34Å; F600-A602 VanDerWaalsContact C-N 3.35Å; F600-Q603 PolarHBondContact O-N 2.93Å; F600-Q604 HydrophobicContact CD1-CG 4.37Å; F600-Q604 HydrophobicContact CE1-CG 3.94Å; F600-Q604 VanDerWaalsContact CE1-NE2 3.27Å; F600-Q604 HydrophobicContact CE2-CG 4.31Å; F600-Q604 HydrophobicContact CZ-CG 3.93Å; F600-Q604 PolarHBondContact O-N 2.9Å; F600-R611 WeakPolarHBondContact CE2-O 3.5Å; F600-P613 HydrophobicContact CB-CB 4.36Å; F600-P613 HydrophobicContact CD1-CB 4.49Å; F600-P613 HydrophobicContact CD2-CB 4.35Å; F600-P613 HydrophobicContact CG-CB 4.14Å |
| 601 | F | 84.3 | Confident | 76.2 | Confident | 123 Ų | 123 | 85 Ų | 85 | 54% | 0.539 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -66.7 | -35.3 | 177.2 | -76.2 | -60 | 0 | 0 | 0 | 112.7 | L597 R598 Q604 Q605 | L597-F601 HydrophobicContact CB-CE2 4.4Å; L597-F601 WeakPolarHBondContact O-CD2 3.42Å; L597-F601 PolarHBondContact O-N 3.29Å; R598-F601 PolarHBondContact O-N 3.49Å; F601-Q604 PolarHBondContact O-N 3.01Å; F601-Q605 PolarHBondContact O-N 3.21Å |
| 602 | A | 83.2 | Confident | 75.1 | Confident | 55 Ų | 55 | 87.6 Ų | 87.6 | 46% | 0.455 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -63.8 | -41.6 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | R598 E599 F600 Q605 | R598-A602 PolarHBondContact O-N 3.5Å; R598-A602 VanDerWaalsContact O-N 3.08Å; E599-A602 PolarHBondContact O-N 3.34Å; F600-A602 VanDerWaalsContact C-N 3.35Å; A602-Q605 PolarHBondContact O-N 2.91Å |
| 603 | Q | 77.4 | Confident | 74.3 | Confident | 66 Ų | 66 | 90.3 Ų | 90.3 | 31% | 0.308 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -71.7 | -30.7 | 178.1 | -72 | 171.6 | 3.7 | 0 | 0 | 113.7 | E599 F600 Q605 E606 | E599-Q603 WeakPolarHBondContact O-CG 3.41Å; E599-Q603 PolarHBondContact O-N 3Å; E599-Q603 PolarHBondContact OE1-NE2 3.28Å; F600-Q603 PolarHBondContact O-N 2.93Å; Q603-Q605 VanDerWaalsContact C-N 3.29Å; Q603-Q605 PolarHBondContact O-N 3.04Å; Q603-E606 PolarHBondContact O-N 3.45Å |
| 604 | Q | 67.3 | Low | 74 | Confident | 107 Ų | 107 | 90.7 Ų | 90.7 | 50% | 0.5 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -65.2 | -33 | 175.4 | -80 | -152.3 | -20.1 | 0 | 0 | 112.7 | F600 F601 E606 N607 | F600-Q604 HydrophobicContact CD1-CG 4.37Å; F600-Q604 HydrophobicContact CE1-CG 3.94Å; F600-Q604 VanDerWaalsContact CE1-NE2 3.27Å; F600-Q604 HydrophobicContact CE2-CG 4.31Å; F600-Q604 HydrophobicContact CZ-CG 3.93Å; F600-Q604 PolarHBondContact O-N 2.9Å; F601-Q604 PolarHBondContact O-N 3.01Å; Q604-E606 PolarHBondContact O-N 3.25Å; Q604-N607 PolarHBondContact O-N 2.88Å |
| 605 | Q | 61.7 | Low | 73.8 | Confident | 173 Ų | 173 | 88.7 Ų | 88.7 | 81% | 0.808 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -64.4 | -23.1 | 173.4 | -68.8 | -180 | -7.1 | 0 | 0 | 112 | F601 A602 Q603 N607 | F601-Q605 PolarHBondContact O-N 3.21Å; A602-Q605 PolarHBondContact O-N 2.91Å; Q603-Q605 VanDerWaalsContact C-N 3.29Å; Q603-Q605 PolarHBondContact O-N 3.04Å; Q605-N607 VanDerWaalsContact C-N 3.35Å |
| 606 | E | 62.6 | Low | 73.7 | Confident | 144 Ų | 144 | 89.9 Ų | 89.9 | 67% | 0.673 | 47% | 0.471 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.9 | 15.1 | 178.2 | -62.8 | -175.5 | 162.7 | 0 | 0 | 113.8 | Q603 Q604 I608 | Q603-E606 PolarHBondContact O-N 3.45Å; Q604-E606 PolarHBondContact O-N 3.25Å; E606-I608 VanDerWaalsContact C-N 3.3Å; E606-I608 PolarHBondContact O-N 2.97Å |
| 607 | N | 55.2 | Low | 73.7 | Confident | 156 Ų | 156 | 94.9 Ų | 94.9 | 83% | 0.834 | 49% | 0.488 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60.1 | 26.9 | 172.4 | -94 | -23.8 | 0 | 0 | 0 | 116 | Q604 Q605 A609 | Q604-N607 PolarHBondContact O-N 2.88Å; Q605-N607 VanDerWaalsContact C-N 3.35Å; N607-A609 PolarHBondContact O-N 3.4Å |
| 608 | I | 53 | Low | 73.8 | Confident | 106 Ų | 106 | 95.7 Ų | 95.7 | 54% | 0.544 | 49% | 0.489 | S | S | . | . | trans | -89.6 | 98.3 | 173 | -55 | 176.6 | 0 | 0 | 0 | 109.5 | E606 | E606-I608 VanDerWaalsContact C-N 3.3Å; E606-I608 PolarHBondContact O-N 2.97Å | ||
| 609 | A | 48.8 | Very low | 74 | Confident | 79 Ų | 79 | 89 Ų | 89 | 65% | 0.653 | 46% | 0.464 | S | S | * | . | trans | -62.1 | 141.3 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114 | N607 | N607-A609 PolarHBondContact O-N 3.4Š| ||
| 610 | S | 52.4 | Low | 74.2 | Confident | 125 Ų | 125 | 86.4 Ų | 86.4 | 87% | 0.874 | 45% | 0.452 | S | S | * | . | trans | 76.5 | 23.7 | 153.6 | 75.2 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 611 | R | 62.6 | Low | 74.4 | Confident | 184 Ų | 184 | 87.8 Ų | 87.8 | 69% | 0.694 | 46% | 0.46 | S | S | * | . | trans | -88 | 134.7 | 166.1 | -69.6 | -173.4 | 177.8 | -179.7 | -0.3 | 111.4 | F600 | F600-R611 WeakPolarHBondContact CE2-O 3.5Š| ||
| 612 | T | 69.4 | Low | 74.8 | Confident | 103 Ų | 103 | 85.4 Ų | 85.4 | 63% | 0.632 | 45% | 0.453 | S | S | * | . | trans | -73.4 | 138.8 | 166.9 | 44.8 | 0 | 0 | 0 | 0 | 108.8 | A614 | T612-A614 PolarHBondContact O-N 3.36Š| ||
| 613 | P | 75.5 | Confident | 75.2 | Confident | 57 Ų | 57 | 82.8 Ų | 82.8 | 37% | 0.37 | 43% | 0.431 | S | S | . | . | trans | -66.1 | 111.1 | 177.7 | 26.4 | -32.7 | 0 | 0 | 0 | 108.9 | L597 F600 | L597-P613 HydrophobicContact CD2-CB 4.21Å; L597-P613 HydrophobicContact CD2-CG 4.42Å; F600-P613 HydrophobicContact CB-CB 4.36Å; F600-P613 HydrophobicContact CD1-CB 4.49Å; F600-P613 HydrophobicContact CD2-CB 4.35Å; F600-P613 HydrophobicContact CG-CB 4.14Å | ||
| 614 | A | 82.7 | Confident | 75.8 | Confident | 37 Ų | 37 | 80.2 Ų | 80.2 | 31% | 0.306 | 42% | 0.419 | S | S | . | . | trans | -113.5 | 137.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 110 | L561 T612 | L561-A614 CarbonylContact O-C 3.3Å; L561-A614 VanDerWaalsContact O-CA 3.3Å; L561-A614 WeakPolarHBondContact O-CA 3.44Å; T612-A614 PolarHBondContact O-N 3.36Å | ||
| 615 | V | 87.2 | Confident | 76.8 | Confident | 4 Ų | 4 | 79.8 Ų | 79.8 | 2% | 0.024 | 43% | 0.427 | C | S | . | . | B | Isolated β-bridge | trans | -81.3 | 123.5 | 176.4 | -177.9 | 0 | 0 | 0 | 0 | 108.7 | P560 L561 M562 G563 V566 A592 A596 H619 F620 | P560-V615 HydrophobicContact CB-CG2 3.96Å; P560-V615 HydrophobicContact CG-CG2 3.82Å; L561-V615 PolarHBondContact O-N 3.09Å; M562-V615 HydrophobicContact SD-CB 3.61Å; M562-V615 HydrophobicContact SD-CG1 3.91Å; M562-V615 HydrophobicContact SD-CG2 4.33Å; G563-V615 PolarHBondContact N-O 3.2Å; V566-V615 WeakPolarHBondContact CG2-O 3.44Å; A592-V615 HydrophobicContact CB-CG1 3.96Å; A596-V615 HydrophobicContact CB-CB 4.44Å; A596-V615 HydrophobicContact CB-CG2 3.89Å; V615-H619 HydrophobicContact CG1-CB 4.09Å; V615-F620 HydrophobicContact CG1-CD2 4.02Å; V615-F620 HydrophobicContact CG1-CE2 3.62Å; V615-F620 HydrophobicContact CG1-CZ 4.37Å |
| 616 | L | 87.9 | Confident | 78.1 | Confident | 51 Ų | 51 | 75.6 Ų | 75.6 | 27% | 0.267 | 41% | 0.406 | S | S | . | . | trans | -104.4 | 163.9 | 179.2 | -67 | 168 | 0 | 0 | 0 | 110.3 | K618 H619 | L616-K618 HydrophobicContact CB-CG 3.99Å; L616-K618 PolarHBondContact O-N 2.89Å; L616-H619 PolarHBondContact N-ND1 2.71Å; L616-H619 WeakPolarHBondContact O-CB 3.42Å; L616-H619 PolarHBondContact O-N 3.37Å | ||
| 617 | R | 88.8 | Confident | 79.3 | Confident | 112 Ų | 112 | 69.9 Ų | 69.9 | 42% | 0.423 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -54.7 | -39 | 178.1 | -177.2 | -179.4 | -178.9 | 147.6 | 7.9 | 113.2 | H619 F620 D621 | R617-H619 PolarHBondContact O-N 3.07Å; R617-F620 WeakPolarHBondContact O-CA 3.31Å; R617-F620 WeakPolarHBondContact O-CB 3.14Å; R617-F620 PolarHBondContact O-N 3.15Å; R617-D621 PolarHBondContact O-N 3.24Å |
| 618 | K | 90.4 | Very high | 80.8 | Confident | 91 Ų | 91 | 71 Ų | 71 | 40% | 0.396 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -55.9 | -33.9 | 176.9 | 64.6 | -178.4 | -177.2 | 175.4 | 0 | 113.1 | E599 L616 D621 I622 | E599-K618 IonicContact OE1-NZ 2.93Å; E599-K618 PolarHBondContact OE1-NZ 3.45Å; E599-K618 WeakPolarHBondContact OE2-CE 3.41Å; E599-K618 IonicContact OE2-NZ 3.75Å; E599-K618 PolarHBondContact OE2-NZ 2.88Å; L616-K618 HydrophobicContact CB-CG 3.99Å; L616-K618 PolarHBondContact O-N 2.89Å; K618-D621 PolarHBondContact O-N 2.91Å; K618-I622 WeakPolarHBondContact O-CG1 3.06Å; K618-I622 PolarHBondContact O-N 3.47Å; K618-I622 VanDerWaalsContact O-N 3.14Å |
| 619 | H | 91.5 | Very high | 82.3 | Confident | 5 Ų | 5 | 68 Ų | 68 | 2% | 0.023 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -71 | -36.4 | 178.3 | -54.6 | 135.3 | 0 | 0 | 0 | 111.2 | A592 E595 A596 E599 V615 L616 R617 A623 | A592-H619 HydrophobicContact CB-CB 4.34Å; E595-H619 HydrophobicContact CB-CB 4.36Å; A596-H619 WeakPolarHBondContact CB-ND1 3.45Å; E599-H619 IonicContact OE2-CD2 3.92Å; E599-H619 IonicContact OE2-CE1 2.86Å; E599-H619 IonicContact OE2-NE2 3.79Å; E599-H619 PolarHBondContact OE2-NE2 2.8Å; V615-H619 HydrophobicContact CG1-CB 4.09Å; L616-H619 PolarHBondContact N-ND1 2.71Å; L616-H619 WeakPolarHBondContact O-CB 3.42Å; L616-H619 PolarHBondContact O-N 3.37Å; R617-H619 PolarHBondContact O-N 3.07Å; H619-A623 VanDerWaalsContact O-CB 3.23Å; H619-A623 WeakPolarHBondContact O-CB 3.38Å; H619-A623 PolarHBondContact O-N 3.19Å |
| 620 | F | 90.8 | Very high | 83.9 | Confident | 1 Ų | 1 | 68.6 Ų | 68.6 | 0% | 0.004 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -65.1 | -40.2 | 172.1 | -81 | -79.6 | 0 | 0 | 0 | 112.1 | M562 V566 I571 L588 V589 A592 V615 R617 I622 A623 L624 | M562-F620 HydrophobicContact CE-CE2 4.15Å; M562-F620 HydrophobicContact CE-CZ 3.81Å; M562-F620 HydrophobicContact SD-CE2 3.84Å; M562-F620 HydrophobicContact SD-CZ 4.13Å; V566-F620 HydrophobicContact CG1-CD2 4.16Å; V566-F620 HydrophobicContact CG1-CE2 3.73Å; V566-F620 HydrophobicContact CG2-CD2 4.47Å; V566-F620 HydrophobicContact CG2-CE2 4.35Å; I571-F620 HydrophobicContact CD1-CB 4.28Å; I571-F620 HydrophobicContact CD1-CD1 3.91Å; I571-F620 HydrophobicContact CD1-CD2 3.87Å; I571-F620 HydrophobicContact CD1-CE1 4.18Å; I571-F620 HydrophobicContact CD1-CE2 4.12Å; I571-F620 HydrophobicContact CD1-CG 3.75Å; I571-F620 HydrophobicContact CD1-CZ 4.27Å; I571-F620 HydrophobicContact CG2-CD1 4.48Å; L588-F620 HydrophobicContact CD2-CD1 4.31Å; L588-F620 HydrophobicContact CG-CD1 4.17Å; L588-F620 HydrophobicContact CG-CE1 4.43Å; V589-F620 HydrophobicContact CG2-CE1 4.26Å; A592-F620 HydrophobicContact CB-CD1 3.94Å; A592-F620 HydrophobicContact CB-CD2 4.3Å; A592-F620 HydrophobicContact CB-CE1 3.99Å; A592-F620 HydrophobicContact CB-CE2 4.34Å; A592-F620 HydrophobicContact CB-CG 4.1Å; A592-F620 HydrophobicContact CB-CZ 4.2Å; V615-F620 HydrophobicContact CG1-CD2 4.02Å; V615-F620 HydrophobicContact CG1-CE2 3.62Å; V615-F620 HydrophobicContact CG1-CZ 4.37Å; R617-F620 WeakPolarHBondContact O-CA 3.31Å; R617-F620 WeakPolarHBondContact O-CB 3.14Å; R617-F620 PolarHBondContact O-N 3.15Å; F620-I622 VanDerWaalsContact C-N 3.35Å; F620-I622 PolarHBondContact O-N 3.45Å; F620-A623 PolarHBondContact O-N 3.01Å; F620-L624 WeakPolarHBondContact O-CB 3.45Å; F620-L624 VanDerWaalsContact O-CG 3.24Å; F620-L624 WeakPolarHBondContact O-CG 3.23Å; F620-L624 PolarHBondContact O-N 3.22Å |
| 621 | D | 90.7 | Very high | 85.2 | Confident | 64 Ų | 64 | 62.9 Ų | 62.9 | 34% | 0.342 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -63.9 | -40.3 | 178 | -75.2 | -46.2 | 0 | 0 | 0 | 112.5 | R576 R617 K618 C625 | R576-D621 IonicContact NH2-OD1 2.8Å; R576-D621 PolarHBondContact NH2-OD1 3.14Å; R576-D621 VanDerWaalsContact NH2-OD1 3.15Å; R617-D621 PolarHBondContact O-N 3.24Å; K618-D621 PolarHBondContact O-N 2.91Å; D621-C625 PolarHBondContact O-N 3.46Å; D621-C625 PolarHBondContact O-SG 3.01Å |
| 622 | I | 91.1 | Very high | 85.8 | Confident | 74 Ų | 74 | 57 Ų | 57 | 38% | 0.379 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -65.8 | -44.4 | 173.4 | -63.8 | 164.8 | 0 | 0 | 0 | 110.4 | E595 K618 F620 L624 C625 K626 | E595-I622 HydrophobicContact CG-CG2 3.99Å; E595-I622 WeakPolarHBondContact OE2-CG2 3.24Å; K618-I622 WeakPolarHBondContact O-CG1 3.06Å; K618-I622 PolarHBondContact O-N 3.47Å; K618-I622 VanDerWaalsContact O-N 3.14Å; F620-I622 VanDerWaalsContact C-N 3.35Å; F620-I622 PolarHBondContact O-N 3.45Å; I622-L624 VanDerWaalsContact C-N 3.35Å; I622-L624 PolarHBondContact O-N 3Å; I622-C625 WeakPolarHBondContact O-CB 3.49Å; I622-C625 PolarHBondContact O-N 2.94Å; I622-K626 PolarHBondContact O-N 2.7Å |
| 623 | A | 91.5 | Very high | 85.9 | Confident | 0 Ų | 0 | 58.7 Ų | 58.7 | 0% | 0 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -62.9 | -39.5 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | L588 E591 A592 H619 F620 C625 K626 V627 | L588-A623 HydrophobicContact CD1-CB 3.73Å; E591-A623 HydrophobicContact CB-CB 3.93Å; E591-A623 HydrophobicContact CG-CB 3.91Å; A592-A623 HydrophobicContact CB-CB 4.04Å; H619-A623 VanDerWaalsContact O-CB 3.23Å; H619-A623 WeakPolarHBondContact O-CB 3.38Å; H619-A623 PolarHBondContact O-N 3.19Å; F620-A623 PolarHBondContact O-N 3.01Å; A623-C625 PolarHBondContact O-N 3.12Å; A623-K626 PolarHBondContact O-N 3.27Å; A623-V627 WeakPolarHBondContact O-CG2 3.38Å; A623-V627 PolarHBondContact O-N 3.5Å |
| 624 | L | 90.1 | Very high | 85.7 | Confident | 11 Ų | 11 | 63.9 Ų | 63.9 | 6% | 0.058 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -62.7 | -27.7 | 176.5 | -77.1 | 170.2 | 0 | 0 | 0 | 113 | R576 C577 F580 L588 F620 I622 | R576-L624 HydrophobicContact CB-CD2 4.49Å; R576-L624 VanDerWaalsContact NH2-CD1 3.29Å; C577-L624 WeakPolarHBondContact SG-CD2 3.41Å; F580-L624 HydrophobicContact CE2-CD2 4.05Å; F580-L624 HydrophobicContact CZ-CD2 4.42Å; L588-L624 HydrophobicContact CD1-CB 4.45Å; L588-L624 HydrophobicContact CD1-CD2 3.65Å; L588-L624 HydrophobicContact CD1-CG 3.8Å; L588-L624 HydrophobicContact CD2-CD2 3.74Å; L588-L624 HydrophobicContact CD2-CG 4.39Å; L588-L624 HydrophobicContact CG-CD2 4.36Å; F620-L624 WeakPolarHBondContact O-CB 3.45Å; F620-L624 VanDerWaalsContact O-CG 3.24Å; F620-L624 WeakPolarHBondContact O-CG 3.23Å; F620-L624 PolarHBondContact O-N 3.22Å; I622-L624 VanDerWaalsContact C-N 3.35Å; I622-L624 PolarHBondContact O-N 3Å |
| 625 | C | 88.7 | Confident | 85.2 | Confident | 98 Ų | 98 | 64.1 Ų | 64.1 | 66% | 0.662 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -76.7 | -27.3 | 174 | -68.5 | 0 | 0 | 0 | 0 | 112.7 | D621 I622 A623 | D621-C625 PolarHBondContact O-N 3.46Å; D621-C625 PolarHBondContact O-SG 3.01Å; I622-C625 WeakPolarHBondContact O-CB 3.49Å; I622-C625 PolarHBondContact O-N 2.94Å; A623-C625 PolarHBondContact O-N 3.12Å |
| 626 | K | 89.1 | Confident | 84.4 | Confident | 86 Ų | 86 | 64.8 Ų | 64.8 | 37% | 0.374 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -89.2 | -41.1 | -178.3 | -66 | -179.3 | -174 | -177.2 | 0 | 113 | E591 E595 I622 A623 K628 | E591-K626 HydrophobicContact CG-CB 4.34Å; E591-K626 HydrophobicContact CG-CD 4.03Å; E591-K626 WeakPolarHBondContact OE1-CD 3.34Å; E591-K626 IonicContact OE1-NZ 3.71Å; E591-K626 PolarHBondContact OE1-NZ 3.31Å; E595-K626 IonicContact OE1-NZ 2.76Å; E595-K626 PolarHBondContact OE1-NZ 2.99Å; E595-K626 IonicContact OE2-NZ 3.02Å; E595-K626 PolarHBondContact OE2-NZ 3.5Å; I622-K626 PolarHBondContact O-N 2.7Å; A623-K626 PolarHBondContact O-N 3.27Å; K626-K628 PolarHBondContact O-N 2.97Å |
| 627 | V | 89 | Confident | 83.5 | Confident | 23 Ų | 23 | 66.5 Ų | 66.5 | 14% | 0.139 | 34% | 0.344 | C | S | . | . | trans | -79.8 | 113.5 | -176.1 | 179.4 | 0 | 0 | 0 | 0 | 109.7 | F580 A587 L588 E591 A623 | F580-V627 HydrophobicContact CE2-CG1 4.28Å; F580-V627 HydrophobicContact CZ-CG1 4.35Å; A587-V627 HydrophobicContact CB-CG1 4.46Å; L588-V627 HydrophobicContact CD1-CG2 4.46Å; E591-V627 HydrophobicContact CB-CG2 4Å; E591-V627 HydrophobicContact CG-CG2 4.35Å; A623-V627 WeakPolarHBondContact O-CG2 3.38Å; A623-V627 PolarHBondContact O-N 3.5Å | ||
| 628 | K | 85.7 | Confident | 82.5 | Confident | 180 Ų | 180 | 68.6 Ų | 68.6 | 78% | 0.783 | 35% | 0.351 | S | S | * | . | trans | -91.1 | 146 | 173.1 | -64.1 | -179.3 | -178.6 | 177.2 | 0 | 109.7 | K626 S630 | K626-K628 PolarHBondContact O-N 2.97Å; K628-S630 PolarHBondContact O-N 3.49Å | ||
| 629 | S | 85.2 | Confident | 81.4 | Confident | 42 Ų | 42 | 64.7 Ų | 64.7 | 29% | 0.294 | 33% | 0.334 | S | S | . | . | trans | -63 | 129.1 | 175.4 | 59.8 | 0 | 0 | 0 | 0 | 111.2 | S579 I631 | S579-S629 WeakPolarHBondContact OG-CB 3.4Å; S579-S629 PolarHBondContact OG-OG 3.38Å; S629-I631 PolarHBondContact O-N 2.88Å | ||
| 630 | S | 81.2 | Confident | 80 | Confident | 92 Ų | 92 | 70.3 Ų | 70.3 | 64% | 0.643 | 36% | 0.359 | S | S | * | . | S | Bend | trans | -66.1 | -24.6 | 178.8 | -67.7 | 0 | 0 | 0 | 0 | 113.4 | D584 K628 | D584-S630 VanDerWaalsContact OD1-CB 3.22Å; D584-S630 WeakPolarHBondContact OD1-CB 3.47Å; D584-S630 PolarHBondContact OD1-N 2.97Å; D584-S630 PolarHBondContact OD1-OG 2.85Å; D584-S630 PolarHBondContact OD2-N 3.18Å; K628-S630 PolarHBondContact O-N 3.49Å |
| 631 | I | 79.3 | Confident | 78.5 | Confident | 5 Ų | 5 | 74.1 Ų | 74.1 | 3% | 0.026 | 39% | 0.385 | C | S | . | . | S | Bend | trans | -102.7 | 117 | -173.5 | -56.9 | 157 | 0 | 0 | 0 | 109.5 | P400 L540 S629 V635 L636 | P400-I631 HydrophobicContact CB-CD1 3.51Å; P400-I631 HydrophobicContact CB-CG1 4.19Å; P400-I631 HydrophobicContact CG-CD1 4.17Å; L540-I631 HydrophobicContact CD2-CD1 3.55Å; S629-I631 PolarHBondContact O-N 2.88Å; I631-V635 HydrophobicContact CG2-CB 3.91Å; I631-V635 HydrophobicContact CG2-CG1 3.8Å; I631-L636 HydrophobicContact CB-CD2 4.45Å; I631-L636 HydrophobicContact CG2-CG 3.81Å; I631-L636 HydrophobicContact CG2-CD2 3.57Å |
| 632 | S | 75.5 | Confident | 77 | Confident | 60 Ų | 60 | 72.1 Ų | 72.1 | 42% | 0.42 | 38% | 0.375 | S | S | . | . | trans | -69.6 | 151 | 175 | 79.4 | 0 | 0 | 0 | 0 | 111.8 | K634 V635 L636 | S632-K634 VanDerWaalsContact O-N 3.14Å; S632-K634 PolarHBondContact O-N 3.22Å; S632-V635 WeakPolarHBondContact O-CB 3.43Å; S632-V635 PolarHBondContact O-N 3.33Å; S632-V635 WeakPolarHBondContact OG-CG2 3.5Å; S632-V635 PolarHBondContact OG-N 3.23Å; S632-L636 PolarHBondContact O-N 3.49Å; S632-L636 VanDerWaalsContact O-N 3.11Å | ||
| 633 | H | 72.5 | Confident | 75.3 | Confident | 140 Ų | 140 | 69.7 Ų | 69.7 | 65% | 0.648 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -53.5 | -35 | 174.5 | -74.6 | -77.8 | 0 | 0 | 0 | 113.2 | V635 L636 T637 | H633-V635 VanDerWaalsContact C-N 3.3Å; H633-V635 PolarHBondContact O-N 3.22Å; H633-L636 WeakPolarHBondContact O-CB 3.41Å; H633-L636 PolarHBondContact O-N 3.37Å; H633-T637 PolarHBondContact O-N 3.45Å; H633-T637 PolarHBondContact O-OG1 3.19Å; H633-T637 VanDerWaalsContact O-OG1 3.06Å |
| 634 | K | 71.6 | Confident | 73.3 | Confident | 165 Ų | 165 | 77.6 Ų | 77.6 | 72% | 0.717 | 40% | 0.395 | S | S | * | . | H | α-helix | trans | -61.4 | -39 | 176 | -67.6 | -176.9 | -180 | 178.6 | 0 | 112.2 | S632 R638 | S632-K634 VanDerWaalsContact O-N 3.14Å; S632-K634 PolarHBondContact O-N 3.22Å; K634-R638 WeakPolarHBondContact O-CG 2.99Å; K634-R638 PolarHBondContact O-N 3.41Å |
| 635 | V | 72.4 | Confident | 71.3 | Confident | 42 Ų | 42 | 82.6 Ų | 82.6 | 26% | 0.255 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -69.9 | -39.5 | 177.3 | 175.2 | 0 | 0 | 0 | 0 | 109.9 | I631 S632 H633 R638 Y639 | I631-V635 HydrophobicContact CG2-CB 3.91Å; I631-V635 HydrophobicContact CG2-CG1 3.8Å; S632-V635 WeakPolarHBondContact O-CB 3.43Å; S632-V635 PolarHBondContact O-N 3.33Å; S632-V635 WeakPolarHBondContact OG-CG2 3.5Å; S632-V635 PolarHBondContact OG-N 3.23Å; H633-V635 VanDerWaalsContact C-N 3.3Å; H633-V635 PolarHBondContact O-N 3.22Å; V635-R638 WeakPolarHBondContact O-CB 3.47Å; V635-R638 PolarHBondContact O-N 3.29Å; V635-Y639 HydrophobicContact CG1-CD2 3.78Å; V635-Y639 HydrophobicContact CG1-CE2 3.5Å; V635-Y639 WeakPolarHBondContact O-CD2 3.35Å; V635-Y639 PolarHBondContact O-N 3.14Å; V635-Y639 VanDerWaalsContact O-N 3.17Å |
| 636 | L | 70 | Confident | 69.3 | Low | 18 Ų | 18 | 82.5 Ų | 82.5 | 9% | 0.094 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -59.1 | -48.3 | 174.6 | -64.4 | 177.4 | 0 | 0 | 0 | 112.1 | L540 I631 S632 H633 R638 Y639 F640 | L540-L636 HydrophobicContact CD1-CD1 4.21Å; L540-L636 HydrophobicContact CD1-CD2 3.31Å; L540-L636 HydrophobicContact CD1-CG 4.41Å; L540-L636 HydrophobicContact CG-CD2 3.98Å; I631-L636 HydrophobicContact CB-CD2 4.45Å; I631-L636 HydrophobicContact CG2-CG 3.81Å; I631-L636 HydrophobicContact CG2-CD2 3.57Å; S632-L636 PolarHBondContact O-N 3.49Å; S632-L636 VanDerWaalsContact O-N 3.11Å; H633-L636 WeakPolarHBondContact O-CB 3.41Å; H633-L636 PolarHBondContact O-N 3.37Å; L636-R638 PolarHBondContact O-N 3.03Å; L636-Y639 PolarHBondContact O-N 3.04Å; L636-F640 HydrophobicContact CB-CD2 4.26Å; L636-F640 HydrophobicContact CB-CE2 4.25Å; L636-F640 WeakPolarHBondContact O-CD2 3.36Å; L636-F640 PolarHBondContact O-N 2.62Å |
| 637 | T | 68.8 | Low | 67 | Low | 87 Ų | 87 | 86.4 Ų | 86.4 | 53% | 0.534 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -57.5 | -39.3 | 178.5 | -48.8 | 0 | 0 | 0 | 0 | 111.7 | H633 Y639 F640 C641 | H633-T637 PolarHBondContact O-N 3.45Å; H633-T637 PolarHBondContact O-OG1 3.19Å; H633-T637 VanDerWaalsContact O-OG1 3.06Å; T637-Y639 VanDerWaalsContact C-N 3.34Å; T637-Y639 PolarHBondContact O-N 2.93Å; T637-F640 PolarHBondContact O-N 2.9Å; T637-C641 PolarHBondContact O-N 3.03Å; T637-C641 PolarHBondContact O-SG 3.36Å |
| 638 | R | 67.5 | Low | 64.6 | Low | 156 Ų | 156 | 91.2 Ų | 91.2 | 59% | 0.589 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -61.9 | -41.2 | 176 | -70 | 176.9 | -175.9 | 177.8 | -0.1 | 112 | P504 K634 V635 L636 V642 | P504-R638 HydrophobicContact CB-CB 4.47Å; P504-R638 HydrophobicContact CG-CB 4.25Å; K634-R638 WeakPolarHBondContact O-CG 2.99Å; K634-R638 PolarHBondContact O-N 3.41Å; V635-R638 WeakPolarHBondContact O-CB 3.47Å; V635-R638 PolarHBondContact O-N 3.29Å; L636-R638 PolarHBondContact O-N 3.03Å; R638-V642 WeakPolarHBondContact O-CG2 3.11Å; R638-V642 PolarHBondContact O-N 3.01Å |
| 639 | Y | 66.9 | Low | 62.4 | Low | 10 Ų | 10 | 87.3 Ų | 87.3 | 4% | 0.039 | 43% | 0.43 | C | S | . | . | H | α-helix | trans | -70.5 | -41.7 | 177.1 | -79.5 | -65.1 | 0 | 0 | 0 | 113.1 | G399 P400 N502 P504 Y537 V635 L636 T637 C641 V642 T643 | G399-Y639 PolarHBondContact O-OH 2.66Å; P400-Y639 HydrophobicContact CB-CD2 4.5Å; P400-Y639 HydrophobicContact CB-CE2 4.06Å; P400-Y639 HydrophobicContact CG-CD2 4.38Å; P400-Y639 HydrophobicContact CG-CE2 4.35Å; N502-Y639 PolarHBondContact O-OH 2.75Å; P504-Y639 HydrophobicContact CB-CD1 4.03Å; P504-Y639 HydrophobicContact CB-CE1 3.66Å; P504-Y639 HydrophobicContact CB-CE2 4.34Å; P504-Y639 WeakPolarHBondContact CD-OH 3.47Å; P504-Y639 HydrophobicContact CG-CD2 4.43Å; P504-Y639 HydrophobicContact CG-CE1 4.07Å; P504-Y639 HydrophobicContact CG-CE2 3.88Å; Y537-Y639 AromaticContact CE2-CD1 3.86Å; Y537-Y639 HydrophobicContact CE2-CD1 3.86Å; V635-Y639 HydrophobicContact CG1-CD2 3.78Å; V635-Y639 HydrophobicContact CG1-CE2 3.5Å; V635-Y639 WeakPolarHBondContact O-CD2 3.35Å; V635-Y639 PolarHBondContact O-N 3.14Å; V635-Y639 VanDerWaalsContact O-N 3.17Å; L636-Y639 PolarHBondContact O-N 3.04Å; T637-Y639 VanDerWaalsContact C-N 3.34Å; T637-Y639 PolarHBondContact O-N 2.93Å; Y639-C641 VanDerWaalsContact C-N 3.33Å; Y639-C641 PolarHBondContact O-N 3.49Å; Y639-V642 WeakPolarHBondContact O-CB 3.47Å; Y639-V642 PolarHBondContact O-N 3.02Å; Y639-V642 VanDerWaalsContact O-N 3.09Å; Y639-T643 PolarHBondContact O-N 3.08Å; Y639-T643 PolarHBondContact O-OG1 3.07Å; Y639-T643 VanDerWaalsContact O-OG1 3.07Å |
| 640 | F | 62.6 | Low | 60.1 | Low | 123 Ų | 123 | 92.5 Ų | 92.5 | 54% | 0.539 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -61 | -41.6 | 176.8 | -82.7 | -69.9 | 0 | 0 | 0 | 112 | L636 T637 V642 T643 Y644 | L636-F640 HydrophobicContact CB-CD2 4.26Å; L636-F640 HydrophobicContact CB-CE2 4.25Å; L636-F640 WeakPolarHBondContact O-CD2 3.36Å; L636-F640 PolarHBondContact O-N 2.62Å; T637-F640 PolarHBondContact O-N 2.9Å; F640-V642 PolarHBondContact O-N 3.33Å; F640-T643 WeakPolarHBondContact CA-OG1 3.49Å; F640-T643 PolarHBondContact O-N 3.47Å; F640-T643 PolarHBondContact O-OG1 3.45Å; F640-Y644 WeakPolarHBondContact O-CB 3.05Å; F640-Y644 PolarHBondContact O-N 3.47Å |
| 641 | C | 59 | Low | 57.6 | Low | 80 Ų | 80 | 99.9 Ų | 99.9 | 54% | 0.541 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -60.8 | -32.7 | 175.1 | -70.5 | 0 | 0 | 0 | 0 | 112.7 | T637 Y639 | T637-C641 PolarHBondContact O-N 3.03Å; T637-C641 PolarHBondContact O-SG 3.36Å; Y639-C641 VanDerWaalsContact C-N 3.33Å; Y639-C641 PolarHBondContact O-N 3.49Å |
| 642 | V | 58.6 | Low | 56.5 | Low | 23 Ų | 23 | 104.6 Ų | 104.6 | 14% | 0.139 | 50% | 0.496 | C | S | . | . | H | α-helix | trans | -72.7 | -44.2 | 178 | 167.2 | 0 | 0 | 0 | 0 | 111.5 | L519 R638 Y639 F640 | L519-V642 HydrophobicContact CD2-CB 4.3Å; L519-V642 HydrophobicContact CD2-CG1 3.95Å; L519-V642 HydrophobicContact CD2-CG2 3.9Å; R638-V642 WeakPolarHBondContact O-CG2 3.11Å; R638-V642 PolarHBondContact O-N 3.01Å; Y639-V642 WeakPolarHBondContact O-CB 3.47Å; Y639-V642 PolarHBondContact O-N 3.02Å; Y639-V642 VanDerWaalsContact O-N 3.09Å; F640-V642 PolarHBondContact O-N 3.33Å |
| 643 | T | 55.3 | Low | 55.5 | Low | 23 Ų | 23 | 106.9 Ų | 106.9 | 14% | 0.141 | 50% | 0.5 | C | S | . | . | H | α-helix | trans | -69.6 | -43.5 | 178.5 | 29.6 | 0 | 0 | 0 | 0 | 112.4 | Y537 Y639 F640 R645 K646 Y647 | Y537-T643 HydrophobicContact CD1-CG2 3.37Å; Y537-T643 HydrophobicContact CD2-CG2 4.1Å; Y537-T643 HydrophobicContact CE1-CG2 3.37Å; Y537-T643 HydrophobicContact CE2-CG2 4.12Å; Y537-T643 HydrophobicContact CG-CG2 3.74Å; Y639-T643 PolarHBondContact O-N 3.08Å; Y639-T643 PolarHBondContact O-OG1 3.07Å; Y639-T643 VanDerWaalsContact O-OG1 3.07Å; F640-T643 WeakPolarHBondContact CA-OG1 3.49Å; F640-T643 PolarHBondContact O-N 3.47Å; F640-T643 PolarHBondContact O-OG1 3.45Å; T643-R645 VanDerWaalsContact C-N 3.34Å; T643-R645 PolarHBondContact O-N 3.44Å; T643-K646 PolarHBondContact O-N 3.49Å; T643-K646 VanDerWaalsContact O-N 3.09Å; T643-Y647 WeakPolarHBondContact O-CD2 3.43Å; T643-Y647 PolarHBondContact O-N 3.27Å |
| 644 | Y | 50.1 | Low | 54.5 | Low | 166 Ų | 166 | 105.1 Ų | 105.1 | 65% | 0.651 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -59.9 | -42.7 | -175.6 | -129.2 | -94.2 | 0 | 0 | 0 | 112.2 | F640 K646 Y647 H648 | F640-Y644 WeakPolarHBondContact O-CB 3.05Å; F640-Y644 PolarHBondContact O-N 3.47Å; Y644-K646 VanDerWaalsContact C-N 3.32Å; Y644-K646 PolarHBondContact O-N 2.94Å; Y644-Y647 PolarHBondContact O-N 3.35Å; Y644-H648 VanDerWaalsContact O-CB 3.25Å; Y644-H648 PolarHBondContact O-N 3.24Å; Y644-H648 WeakPolarHBondContact O-CB 3.35Å |
| 645 | R | 47.4 | Very low | 53.5 | Low | 115 Ų | 115 | 101.6 Ų | 101.6 | 43% | 0.434 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -69.6 | -26.5 | 178.3 | -76.4 | -170.2 | 175.6 | 179.3 | 1.4 | 113.7 | T643 C649 | T643-R645 VanDerWaalsContact C-N 3.34Å; T643-R645 PolarHBondContact O-N 3.44Å; R645-C649 VanDerWaalsContact O-CB 3.27Å; R645-C649 WeakPolarHBondContact O-CB 3.39Å; R645-C649 PolarHBondContact O-N 3.24Å; R645-C649 PolarHBondContact O-SG 3.28Å; R645-C649 VanDerWaalsContact O-SG 3.34Å |
| 646 | K | 46.8 | Very low | 52.3 | Low | 97 Ų | 97 | 105.3 Ų | 105.3 | 42% | 0.422 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -74.2 | -35.2 | 179.9 | -149.7 | -176.5 | -178.1 | -171.5 | 0 | 112.1 | I535 T643 Y644 | I535-K646 PolarHBondContact O-NZ 3.09Å; T643-K646 PolarHBondContact O-N 3.49Å; T643-K646 VanDerWaalsContact O-N 3.09Å; Y644-K646 VanDerWaalsContact C-N 3.32Å; Y644-K646 PolarHBondContact O-N 2.94Å |
| 647 | Y | 41.3 | Very low | 51.2 | Low | 167 Ų | 167 | 111.1 Ų | 111.1 | 66% | 0.655 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -89.1 | -24.4 | 178.9 | -70.4 | -74.8 | 0 | 0 | 0 | 113.5 | T643 Y644 | T643-Y647 WeakPolarHBondContact O-CD2 3.43Å; T643-Y647 PolarHBondContact O-N 3.27Å; Y644-Y647 PolarHBondContact O-N 3.35Å |
| 648 | H | 39.8 | Very low | 49.9 | Very low | 125 Ų | 125 | 112.9 Ų | 112.9 | 58% | 0.579 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -99.9 | -10.5 | -175.6 | -133 | -64.6 | 0 | 0 | 0 | 115.3 | Y644 L650 | Y644-H648 VanDerWaalsContact O-CB 3.25Å; Y644-H648 PolarHBondContact O-N 3.24Å; Y644-H648 WeakPolarHBondContact O-CB 3.35Å; H648-L650 VanDerWaalsContact C-N 3.35Å |
| 649 | C | 39.3 | Very low | 48.5 | Very low | 98 Ų | 98 | 109.5 Ų | 109.5 | 66% | 0.662 | 51% | 0.513 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.6 | 9.3 | 173.2 | -68.5 | 0 | 0 | 0 | 0 | 113.6 | R645 | R645-C649 VanDerWaalsContact O-CB 3.27Å; R645-C649 WeakPolarHBondContact O-CB 3.39Å; R645-C649 PolarHBondContact O-N 3.24Å; R645-C649 PolarHBondContact O-SG 3.28Å; R645-C649 VanDerWaalsContact O-SG 3.34Å |
| 650 | L | 35.7 | Very low | 47 | Very low | 150 Ų | 150 | 117.8 Ų | 117.8 | 79% | 0.785 | 55% | 0.553 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100 | 3.3 | 172.7 | -83.6 | 161.4 | 0 | 0 | 0 | 113 | H648 | H648-L650 VanDerWaalsContact C-N 3.35Š|
| 651 | F | 28.2 | Very low | 45.6 | Very low | 247 Ų | 247 | 117.4 Ų | 117.4 | 100% | 1.083 | 55% | 0.554 | S | S | * | * | trans | -116.5 | 0 | 158.9 | -82.8 | -84.6 | 0 | 0 | 0 | 107.7 |
Retrieved 651 of 651 residues in 274.6 ms
(Link to these results)