| 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 | 78.4 | Confident | 88.3 | Confident | 39 Ų | 39 | 39.9 Ų | 39.9 | 19% | 0.192 | 22% | 0.219 | C | C | . | . | 0 | 156.5 | 0 | 172.8 | 176.5 | -80.4 | 0 | 0 | 107.9 | M266 L293 N294 L329 R330 | M1-M266 HydrophobicContact CE-CE 4.35Å; M1-M266 HydrophobicContact CE-SD 3.23Å; M1-M266 WeakPolarHBondContact CE-SD 3.37Å; M1-M266 HydrophobicContact SD-SD 3.84Å; M1-L293 HydrophobicContact CE-CB 4.49Å; M1-L293 HydrophobicContact CE-CD1 4.01Å; M1-L293 HydrophobicContact SD-CB 4.03Å; M1-L293 HydrophobicContact SD-CD1 4.39Å; M1-N294 HydrophobicContact CB-CB 4.32Å; M1-N294 HydrophobicContact CG-CB 4.39Å; M1-N294 PolarHBondContact O-ND2 3.19Å; M1-L329 HydrophobicContact SD-CD2 3.97Å; M1-R330 WeakPolarHBondContact CG-O 3.48Å | |||
| 2 | F | 83.9 | Confident | 87.9 | Confident | 24 Ų | 24 | 41.6 Ų | 41.6 | 11% | 0.105 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 140 | 175.7 | -178.1 | -107 | 0 | 0 | 0 | 110.5 | Y4 R330 D604 W606 | F2-Y4 AromaticContact CD1-CD1 3.76Å; F2-Y4 HydrophobicContact CD1-CD1 3.76Å; F2-Y4 HydrophobicContact CD1-CE1 4.31Å; F2-Y4 AromaticContact CE1-CD1 3.31Å; F2-Y4 HydrophobicContact CE1-CD1 3.31Å; F2-Y4 HydrophobicContact CE1-CE1 4.08Å; F2-Y4 HydrophobicContact CE1-CG 4.01Å; F2-Y4 HydrophobicContact CZ-CD1 4.26Å; F2-R330 HydrophobicContact CB-CB 4.4Å; F2-R330 PolarHBondContact N-O 3.05Å; F2-R330 PolarHBondContact O-N 2.96Å; F2-D604 VanDerWaalsContact CZ-C 3.46Å; F2-D604 HydrophobicContact CZ-CB 3.98Å; F2-D604 WeakPolarHBondContact CZ-O 3.36Å; F2-W606 HydrophobicContact CB-CB 3.99Å; F2-W606 HydrophobicContact CD1-CB 3.57Å; F2-W606 AromaticContact CD1-CD1 3.67Å; F2-W606 AromaticContact CD1-CG 3.78Å; F2-W606 HydrophobicContact CD1-CG 3.78Å; F2-W606 HydrophobicContact CD2-CB 3.88Å; F2-W606 HydrophobicContact CE1-CB 3.96Å; F2-W606 AromaticContact CE1-CD1 3.58Å; F2-W606 HydrophobicContact CE1-CG 4.07Å; F2-W606 HydrophobicContact CE2-CB 4.27Å; F2-W606 HydrophobicContact CG-CB 3.53Å; F2-W606 HydrophobicContact CG-CG 4.23Å; F2-W606 HydrophobicContact CZ-CB 4.32Å |
| 3 | S | 88.4 | Confident | 87.7 | Confident | 8 Ų | 8 | 50.5 Ų | 50.5 | 6% | 0.056 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.7 | 139.7 | 179.8 | 57.1 | 0 | 0 | 0 | 0 | 110.4 | N294 N328 | S3-N294 PolarHBondContact N-ND2 3.43Å; S3-N294 PolarHBondContact OG-ND2 3.48Å; S3-N328 WeakPolarHBondContact CA-O 3.36Å |
| 4 | Y | 89.2 | Confident | 87.6 | Confident | 7 Ų | 7 | 55.5 Ų | 55.5 | 3% | 0.027 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.6 | 156 | -179 | 62.4 | -83.5 | 0 | 0 | 0 | 111.6 | F2 A327 N328 K623 T624 | F2-Y4 AromaticContact CD1-CD1 3.76Å; F2-Y4 HydrophobicContact CD1-CD1 3.76Å; F2-Y4 HydrophobicContact CD1-CE1 4.31Å; F2-Y4 AromaticContact CE1-CD1 3.31Å; F2-Y4 HydrophobicContact CE1-CD1 3.31Å; F2-Y4 HydrophobicContact CE1-CE1 4.08Å; F2-Y4 HydrophobicContact CE1-CG 4.01Å; F2-Y4 HydrophobicContact CZ-CD1 4.26Å; Y4-A327 CarbonylContact O-C 3.59Å; Y4-A327 VanDerWaalsContact O-CA 3.27Å; Y4-A327 WeakPolarHBondContact O-CA 3.44Å; Y4-N328 HydrophobicContact CD1-CB 4.48Å; Y4-N328 HydrophobicContact CE1-CB 3.84Å; Y4-N328 HydrophobicContact CE2-CB 3.94Å; Y4-N328 PolarHBondContact N-O 3.14Å; Y4-N328 VanDerWaalsContact N-O 3.07Å; Y4-N328 PolarHBondContact O-N 3.37Å; Y4-N328 WeakPolarHBondContact OH-CB 3.4Å; Y4-N328 PolarHBondContact OH-ND2 3.06Å; Y4-N328 VanDerWaalsContact OH-ND2 3.1Å; Y4-K623 HydrophobicContact CD2-CB 3.91Å; Y4-K623 HydrophobicContact CD2-CD 3.96Å; Y4-K623 HydrophobicContact CD2-CG 3.66Å; Y4-K623 HydrophobicContact CE2-CB 3.67Å; Y4-K623 HydrophobicContact CE2-CD 4.34Å; Y4-K623 HydrophobicContact CE2-CG 3.96Å; Y4-K623 HydrophobicContact CG-CG 4.11Å; Y4-T624 WeakPolarHBondContact OH-CG2 3.45Å |
| 5 | L | 89.3 | Confident | 87.8 | Confident | 45 Ų | 45 | 52.5 Ų | 52.5 | 24% | 0.236 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.9 | 124.1 | 173.1 | -65.6 | 177.2 | 0 | 0 | 0 | 110.7 | L296 L298 P299 Y325 F326 A327 | L5-L296 HydrophobicContact CD2-CD2 4.07Å; L5-L296 HydrophobicContact CG-CD2 4.47Å; L5-L298 HydrophobicContact CD1-CD2 4.44Å; L5-L298 HydrophobicContact CD2-CD2 3.9Å; L5-P299 HydrophobicContact CD1-CG 4.21Å; L5-Y325 HydrophobicContact CD1-CD1 4.19Å; L5-F326 CarbonylContact C-O 3.57Å; L5-F326 WeakPolarHBondContact CA-O 3.27Å; L5-A327 HydrophobicContact CD2-CB 4.12Å |
| 6 | S | 86.9 | Confident | 88.2 | Confident | 54 Ų | 54 | 55.3 Ų | 55.3 | 38% | 0.378 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | -39.3 | -175 | 63.9 | 0 | 0 | 0 | 0 | 113.3 | F326 N328 | S6-F326 PolarHBondContact N-O 2.88Å; S6-F326 PolarHBondContact OG-O 2.83Å; S6-N328 WeakPolarHBondContact CB-OD1 3.38Å; S6-N328 PolarHBondContact OG-OD1 2.6Å |
| 7 | K | 88 | Confident | 88.6 | Confident | 63 Ų | 63 | 52.1 Ų | 52.1 | 27% | 0.274 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.7 | 153.5 | -177 | -162.7 | 170.7 | -173.7 | 173.5 | 0 | 111.5 | T58 F326 | K7-T58 PolarHBondContact NZ-O 3.24Å; K7-F326 HydrophobicContact CB-CB 4.09Å; K7-F326 HydrophobicContact CB-CD2 4Å; K7-F326 HydrophobicContact CB-CG 4.36Å; K7-F326 HydrophobicContact CG-CD2 4.49Å; K7-F326 PolarHBondContact N-O 2.84Å; K7-F326 PolarHBondContact O-N 3.32Å |
| 8 | K | 91.4 | Very high | 88.9 | Confident | 105 Ų | 105 | 52.7 Ų | 52.7 | 46% | 0.457 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 130.5 | 174.9 | 174 | -175.4 | 178.4 | 169.5 | 0 | 108.7 | F323 L324 Y325 | K8-F323 HydrophobicContact CD-CD1 4.22Å; K8-F323 VanDerWaalsContact CE-CG 3.41Å; K8-F323 HydrophobicContact CG-CB 4.49Å; K8-F323 HydrophobicContact CG-CD1 4.22Å; K8-L324 WeakPolarHBondContact CA-O 3.5Å; K8-Y325 HydrophobicContact CB-CD1 4.07Å; K8-Y325 HydrophobicContact CB-CE1 4.01Å; K8-Y325 HydrophobicContact CD-CE1 3.68Å; K8-Y325 WeakPolarHBondContact CE-OH 3.39Å; K8-Y325 HydrophobicContact CG-CD1 4.16Å; K8-Y325 HydrophobicContact CG-CE1 3.74Å; K8-Y325 PolarHBondContact NZ-OH 2.88Å |
| 9 | I | 92.2 | Very high | 89.2 | Confident | 21 Ų | 21 | 50.4 Ų | 50.4 | 11% | 0.108 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 127.1 | 172.7 | -59.9 | -179.7 | 0 | 0 | 0 | 108 | L41 L60 F323 L324 F326 | I9-L41 HydrophobicContact CD1-CD1 4.03Å; I9-L41 HydrophobicContact CG2-CD1 4.5Å; I9-L60 HydrophobicContact CD1-CD1 4.31Å; I9-F323 WeakPolarHBondContact O-CA 3.42Å; I9-L324 HydrophobicContact CB-CB 4.38Å; I9-L324 PolarHBondContact N-O 3.45Å; I9-L324 PolarHBondContact O-N 2.87Å; I9-F326 HydrophobicContact CD1-CE2 3.61Å; I9-F326 HydrophobicContact CD1-CZ 4.14Å; I9-F326 HydrophobicContact CG1-CE2 3.93Å |
| 10 | A | 92.8 | Very high | 89.5 | Confident | 66 Ų | 66 | 48.6 Ų | 48.6 | 55% | 0.545 | 26% | 0.263 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 135.2 | 175.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | F323 | A10-F323 HydrophobicContact CB-CD1 3.8Å; A10-F323 HydrophobicContact CB-CE1 3.67Å |
| 11 | I | 90.8 | Very high | 89.7 | Confident | 7 Ų | 7 | 47.3 Ų | 47.3 | 4% | 0.036 | 26% | 0.258 | C | S | . | . | P | Polyproline II helix | trans | -87.8 | 139.5 | 175.6 | -60 | -59.6 | 0 | 0 | 0 | 109.5 | A15 L17 L37 K39 S322 | I11-A15 HydrophobicContact CG2-CB 4.41Å; I11-L17 HydrophobicContact CD1-CD1 4.33Å; I11-L17 HydrophobicContact CD1-CD2 4.23Å; I11-L17 HydrophobicContact CG1-CD1 3.84Å; I11-L17 HydrophobicContact CG1-CD2 3.88Å; I11-L17 HydrophobicContact CG1-CG 3.93Å; I11-L17 HydrophobicContact CG2-CD2 4.49Å; I11-L37 HydrophobicContact CG2-CD1 4.12Å; I11-L37 HydrophobicContact CG2-CD2 3.27Å; I11-L37 HydrophobicContact CG2-CG 4.32Å; I11-K39 HydrophobicContact CD1-CD 4.45Å; I11-S322 VanDerWaalsContact CB-O 3.29Å; I11-S322 WeakPolarHBondContact CB-O 3.47Å; I11-S322 WeakPolarHBondContact CG1-O 3.42Å; I11-S322 PolarHBondContact N-O 2.77Å |
| 12 | P | 83.7 | Confident | 90.4 | Very high | 60 Ų | 60 | 45.6 Ų | 45.6 | 39% | 0.39 | 25% | 0.249 | S | C | . | . | G | 310 helix | trans | -56.3 | 156.1 | 177.5 | -23.5 | 33.5 | 0 | 0 | 0 | 113.3 | N14 A15 | P12-N14 PolarHBondContact O-N 3.02Å; P12-A15 PolarHBondContact O-N 3Å |
| 13 | N | 84.6 | Confident | 90.8 | Very high | 157 Ų | 157 | 44.5 Ų | 44.5 | 84% | 0.84 | 24% | 0.244 | S | C | * | . | G | 310 helix | trans | 58.9 | 11.2 | 174.6 | -57.3 | -17.8 | 0 | 0 | 0 | 116 | A15 | N13-A15 PolarHBondContact O-N 3.45Å; N13-A15 VanDerWaalsContact O-N 3.16Å |
| 14 | N | 86.7 | Confident | 90.7 | Very high | 121 Ų | 121 | 48 Ų | 48 | 65% | 0.647 | 26% | 0.258 | S | S | * | . | G | 310 helix | trans | 54.5 | 25.4 | -171.9 | -61.3 | -42.4 | 0 | 0 | 0 | 113.5 | P12 K16 | P12-N14 PolarHBondContact O-N 3.02Å; N14-K16 PolarHBondContact O-N 3.04Å |
| 15 | A | 91.1 | Very high | 90.4 | Very high | 11 Ų | 11 | 51.7 Ų | 51.7 | 9% | 0.091 | 28% | 0.276 | C | S | . | . | P | Polyproline II helix | trans | -59.5 | 127.9 | 174.6 | 0 | 0 | 0 | 0 | 0 | 109.1 | I11 P12 N13 L37 S322 | I11-A15 HydrophobicContact CG2-CB 4.41Å; P12-A15 PolarHBondContact O-N 3Å; N13-A15 PolarHBondContact O-N 3.45Å; N13-A15 VanDerWaalsContact O-N 3.16Å; A15-L37 HydrophobicContact CB-CD2 4.1Å; A15-S322 WeakPolarHBondContact O-CA 3.25Å; A15-S322 WeakPolarHBondContact O-CB 3.2Å |
| 16 | K | 93.6 | Very high | 90.2 | Very high | 96 Ų | 96 | 51.1 Ų | 51.1 | 42% | 0.417 | 27% | 0.272 | S | S | . | . | P | Polyproline II helix | trans | -75.4 | 133.6 | -179.6 | -60.9 | 178 | -171.1 | 160.7 | 0 | 109.5 | N14 G33 E34 D321 | N14-K16 PolarHBondContact O-N 3.04Å; K16-G33 CarbonylContact O-C 3.5Å; K16-G33 WeakPolarHBondContact O-CA 3.28Å; K16-E34 HydrophobicContact CB-CG 4.22Å; K16-E34 PolarHBondContact N-OE2 3.43Å; K16-E34 PolarHBondContact O-N 3.25Å; K16-D321 CarbonylContact C-O 3.6Å; K16-D321 WeakPolarHBondContact CA-O 3.3Å |
| 17 | L | 94.9 | Very high | 90.1 | Very high | 1 Ų | 1 | 49.2 Ų | 49.2 | 1% | 0.005 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75 | 134.4 | 173.8 | -66.8 | 178.5 | 0 | 0 | 0 | 109.9 | I11 C31 G32 L37 T304 A319 D321 L324 | I11-L17 HydrophobicContact CD1-CD1 4.33Å; I11-L17 HydrophobicContact CD1-CD2 4.23Å; I11-L17 HydrophobicContact CG1-CD1 3.84Å; I11-L17 HydrophobicContact CG1-CD2 3.88Å; I11-L17 HydrophobicContact CG1-CG 3.93Å; I11-L17 HydrophobicContact CG2-CD2 4.49Å; L17-C31 HydrophobicContact CD1-CB 4.44Å; L17-C31 HydrophobicContact CD2-CB 3.97Å; L17-G32 CarbonylContact C-O 3.59Å; L17-G32 WeakPolarHBondContact CA-O 3.29Å; L17-L37 HydrophobicContact CD2-CD2 3.86Å; L17-T304 WeakPolarHBondContact O-CB 3.29Å; L17-T304 VanDerWaalsContact O-CG2 3.25Å; L17-T304 WeakPolarHBondContact O-CG2 3.34Å; L17-T304 PolarHBondContact O-OG1 3.33Å; L17-A319 HydrophobicContact CB-CB 3.87Å; L17-A319 HydrophobicContact CD1-CB 3.96Å; L17-D321 PolarHBondContact N-O 3.1Å; L17-L324 HydrophobicContact CD1-CB 4.39Å |
| 18 | K | 94 | Very high | 90.3 | Very high | 63 Ų | 63 | 47.3 Ų | 47.3 | 27% | 0.274 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | -32.7 | 175.8 | -58.7 | -70.3 | 177.7 | 178.1 | 0 | 111.5 | G32 E34 D72 | K18-G32 PolarHBondContact N-O 3.24Å; K18-E34 VanDerWaalsContact CE-CG 3.4Å; K18-E34 WeakPolarHBondContact CE-OE1 3.37Å; K18-E34 IonicContact NZ-OE1 2.86Å; K18-E34 PolarHBondContact NZ-OE1 3.38Å; K18-D72 WeakPolarHBondContact CE-OD2 3.22Å; K18-D72 IonicContact NZ-OD2 3.9Å |
| 19 | S | 94 | Very high | 90.4 | Very high | 10 Ų | 10 | 42.3 Ų | 42.3 | 7% | 0.07 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.8 | 149.8 | -175.2 | 56.8 | 0 | 0 | 0 | 0 | 111.7 | C31 G32 V73 Q74 I76 | S19-C31 WeakPolarHBondContact O-CA 3.02Å; S19-G32 PolarHBondContact N-O 3.49Å; S19-G32 VanDerWaalsContact N-O 3.11Å; S19-G32 PolarHBondContact O-N 3.49Å; S19-V73 PolarHBondContact OG-O 3.36Å; S19-V73 VanDerWaalsContact OG-O 3.07Å; S19-Q74 WeakPolarHBondContact CB-O 3.45Å; S19-I76 WeakPolarHBondContact OG-CD1 3.13Å |
| 20 | A | 95.3 | Very high | 90.6 | Very high | 14 Ų | 14 | 41.3 Ų | 41.3 | 12% | 0.116 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.1 | 142.4 | 172.6 | 0 | 0 | 0 | 0 | 0 | 110 | A30 C31 A305 A319 L324 | A20-A30 CarbonylContact C-O 3.54Å; A20-A30 VanDerWaalsContact CA-O 3.29Å; A20-A30 WeakPolarHBondContact CA-O 3.39Å; A20-C31 HydrophobicContact CB-CB 4.37Å; A20-A305 HydrophobicContact CB-CB 3.98Å; A20-A319 HydrophobicContact CB-CB 4.18Å; A20-L324 HydrophobicContact CB-CD1 4.37Å |
| 21 | S | 94.6 | Very high | 90.7 | Very high | 21 Ų | 21 | 38.2 Ų | 38.2 | 15% | 0.147 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.8 | 135.6 | 179.2 | -166 | 0 | 0 | 0 | 0 | 110.6 | A30 W78 | S21-A30 PolarHBondContact N-O 3.03Å; S21-A30 PolarHBondContact O-N 3.34Å; S21-W78 PolarHBondContact O-NE1 3.27Å; S21-W78 PolarHBondContact OG-NE1 3.04Å |
| 22 | W | 93.4 | Very high | 90.9 | Very high | 4 Ų | 4 | 37.9 Ų | 37.9 | 2% | 0.015 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 125.1 | -177.6 | -161.9 | -20.8 | 0 | 0 | 0 | 109.5 | K24 Y28 V29 L43 T307 W308 E309 R315 A317 F326 | W22-K24 PolarHBondContact O-N 3.12Å; W22-Y28 CarbonylContact C-O 3.56Å; W22-Y28 WeakPolarHBondContact CA-O 3.45Å; W22-V29 HydrophobicContact CB-CG2 4.35Å; W22-V29 HydrophobicContact CD2-CG2 3.53Å; W22-V29 VanDerWaalsContact CE2-CG2 3.49Å; W22-V29 HydrophobicContact CE3-CG2 4.18Å; W22-V29 HydrophobicContact CG-CG2 3.63Å; W22-V29 HydrophobicContact CZ2-CG2 4.09Å; W22-L43 HydrophobicContact CH2-CD1 4.48Å; W22-L43 HydrophobicContact CZ2-CD1 4.44Å; W22-T307 HydrophobicContact CB-CG2 3.72Å; W22-T307 WeakPolarHBondContact CB-OG1 3.39Å; W22-T307 PolarHBondContact N-OG1 3.46Å; W22-W308 WeakPolarHBondContact CB-O 3.29Å; W22-E309 HydrophobicContact CD2-CB 3.8Å; W22-E309 HydrophobicContact CD2-CG 4.26Å; W22-E309 HydrophobicContact CE3-CB 3.91Å; W22-E309 HydrophobicContact CH2-CB 3.79Å; W22-E309 HydrophobicContact CH2-CG 4.18Å; W22-E309 HydrophobicContact CZ2-CB 3.66Å; W22-E309 HydrophobicContact CZ2-CG 3.59Å; W22-E309 HydrophobicContact CZ3-CB 3.9Å; W22-R315 HydrophobicContact CH2-CB 4.14Å; W22-R315 HydrophobicContact CZ3-CB 4.36Å; W22-A317 HydrophobicContact CE3-CB 3.59Å; W22-A317 HydrophobicContact CZ3-CB 3.72Å; W22-F326 HydrophobicContact CE3-CE1 4.48Å; W22-F326 AromaticContact CH2-CD1 3.68Å; W22-F326 HydrophobicContact CH2-CD1 3.68Å; W22-F326 AromaticContact CH2-CE1 3.7Å; W22-F326 HydrophobicContact CH2-CE1 3.7Å; W22-F326 HydrophobicContact CZ2-CE1 4.38Å; W22-F326 AromaticContact CZ3-CD1 3.7Å; W22-F326 HydrophobicContact CZ3-CD1 3.7Å; W22-F326 AromaticContact CZ3-CE1 3.77Å; W22-F326 HydrophobicContact CZ3-CE1 3.77Å |
| 23 | S | 91.4 | Very high | 91.4 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 18% | 0.179 | C | C | . | . | trans | -63.9 | 127.1 | 172.3 | 167.7 | 0 | 0 | 0 | 0 | 109.9 | H26 Y28 E80 | S23-H26 WeakPolarHBondContact OG-CB 3.28Å; S23-H26 PolarHBondContact OG-CD2 3.15Å; S23-H26 PolarHBondContact OG-N 3.44Å; S23-H26 VanDerWaalsContact OG-N 3.08Å; S23-Y28 PolarHBondContact N-O 3.31Å; S23-E80 VanDerWaalsContact CA-OE1 3.26Å; S23-E80 WeakPolarHBondContact CA-OE1 3.35Å; S23-E80 PolarHBondContact OG-OE2 2.94Å | ||
| 24 | K | 85.8 | Confident | 91.9 | Very high | 81 Ų | 81 | 29.5 Ų | 29.5 | 35% | 0.352 | 15% | 0.149 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71.5 | -40.4 | -178.5 | -63.3 | -179.3 | -179.6 | -177 | 0 | 111.4 | W22 E80 E262 G310 N311 | W22-K24 PolarHBondContact O-N 3.12Å; K24-E80 PolarHBondContact N-OE1 2.86Å; K24-E262 HydrophobicContact CD-CG 4.39Å; K24-G310 CarbonylContact O-C 3.47Å; K24-G310 WeakPolarHBondContact O-CA 3.29Å; K24-N311 PolarHBondContact O-N 3.22Å |
| 25 | E | 83.8 | Confident | 92.2 | Very high | 86 Ų | 86 | 30.5 Ų | 30.5 | 40% | 0.402 | 15% | 0.154 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88 | -41.3 | -174.7 | -66.4 | -173.6 | 166.9 | 0 | 0 | 113.1 | E80 N311 | E25-E80 HydrophobicContact CG-CB 4.28Å; E25-N311 PolarHBondContact O-ND2 3.28Å |
| 26 | H | 84.3 | Confident | 92.2 | Very high | 32 Ų | 32 | 30.3 Ų | 30.3 | 15% | 0.148 | 15% | 0.153 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -104.5 | -6.1 | -163.1 | -52.7 | -61.4 | 0 | 0 | 0 | 113.8 | S23 Y28 E80 R83 | S23-H26 WeakPolarHBondContact OG-CB 3.28Å; S23-H26 PolarHBondContact OG-CD2 3.15Å; S23-H26 PolarHBondContact OG-N 3.44Å; S23-H26 VanDerWaalsContact OG-N 3.08Å; H26-Y28 VanDerWaalsContact C-N 3.32Å; H26-Y28 HydrophobicContact CB-CD2 3.58Å; H26-Y28 HydrophobicContact CB-CE2 3.81Å; H26-Y28 WeakPolarHBondContact O-CD2 3.34Å; H26-Y28 PolarHBondContact O-N 3.33Å; H26-E80 IonicContact CD2-OE2 2.82Å; H26-E80 PolarHBondContact NE2-O 3.14Å; H26-R83 PolarHBondContact CE1-NE 3.04Å; H26-R83 PolarHBondContact ND1-NE 3.37Å |
| 27 | G | 86 | Confident | 92.2 | Very high | 14 Ų | 14 | 27 Ų | 27 | 14% | 0.144 | 14% | 0.14 | C | C | . | . | trans | 74.1 | 14.9 | 174.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 28 | Y | 91.4 | Very high | 92.2 | Very high | 24 Ų | 24 | 26.9 Ų | 26.9 | 9% | 0.094 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.8 | 140 | 175.7 | -67.2 | -81.1 | 0 | 0 | 0 | 111.5 | W22 S23 H26 V40 L41 K42 M62 W104 | W22-Y28 CarbonylContact C-O 3.56Å; W22-Y28 WeakPolarHBondContact CA-O 3.45Å; S23-Y28 PolarHBondContact N-O 3.31Å; H26-Y28 VanDerWaalsContact C-N 3.32Å; H26-Y28 HydrophobicContact CB-CD2 3.58Å; H26-Y28 HydrophobicContact CB-CE2 3.81Å; H26-Y28 WeakPolarHBondContact O-CD2 3.34Å; H26-Y28 PolarHBondContact O-N 3.33Å; Y28-V40 HydrophobicContact CD1-CG1 3.89Å; Y28-V40 HydrophobicContact CG-CG1 4.38Å; Y28-L41 CarbonylContact C-O 3.59Å; Y28-L41 VanDerWaalsContact CA-O 3.28Å; Y28-L41 WeakPolarHBondContact CA-O 3.44Å; Y28-K42 HydrophobicContact CD1-CB 3.73Å; Y28-K42 HydrophobicContact CD1-CD 4.19Å; Y28-K42 HydrophobicContact CD1-CG 3.86Å; Y28-K42 HydrophobicContact CE1-CB 3.75Å; Y28-K42 HydrophobicContact CE1-CD 3.58Å; Y28-K42 HydrophobicContact CE1-CG 3.77Å; Y28-K42 HydrophobicContact CE2-CD 4.41Å; Y28-K42 HydrophobicContact CG-CG 4.43Å; Y28-M62 HydrophobicContact CD1-SD 4.29Å; Y28-M62 HydrophobicContact CE1-CE 4.21Å; Y28-M62 HydrophobicContact CE1-SD 3.66Å; Y28-W104 HydrophobicContact CD2-CZ2 4.32Å; Y28-W104 HydrophobicContact CG-CZ2 4.36Å |
| 29 | V | 94 | Very high | 92.3 | Very high | 0 Ų | 0 | 24.7 Ų | 24.7 | 0% | 0 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 119.9 | 171.8 | -170.5 | 0 | 0 | 0 | 0 | 108.7 | W22 V40 L41 L324 F326 | W22-V29 HydrophobicContact CB-CG2 4.35Å; W22-V29 HydrophobicContact CD2-CG2 3.53Å; W22-V29 VanDerWaalsContact CE2-CG2 3.49Å; W22-V29 HydrophobicContact CE3-CG2 4.18Å; W22-V29 HydrophobicContact CG-CG2 3.63Å; W22-V29 HydrophobicContact CZ2-CG2 4.09Å; V29-V40 CarbonylContact O-C 3.58Å; V29-V40 WeakPolarHBondContact O-CA 3.17Å; V29-L41 HydrophobicContact CB-CB 4.39Å; V29-L41 PolarHBondContact N-O 2.82Å; V29-L41 PolarHBondContact O-N 3.41Å; V29-L324 HydrophobicContact CG1-CD2 3.99Å; V29-F326 HydrophobicContact CG2-CE1 4.3Å |
| 30 | A | 95.3 | Very high | 92.3 | Very high | 0 Ų | 0 | 24.2 Ų | 24.2 | 0% | 0 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 136.2 | 171.7 | 0 | 0 | 0 | 0 | 0 | 109.8 | A20 S21 K39 V40 I76 W78 I85 | A20-A30 CarbonylContact C-O 3.54Å; A20-A30 VanDerWaalsContact CA-O 3.29Å; A20-A30 WeakPolarHBondContact CA-O 3.39Å; S21-A30 PolarHBondContact N-O 3.03Å; S21-A30 PolarHBondContact O-N 3.34Å; A30-K39 CarbonylContact C-O 3.52Å; A30-K39 VanDerWaalsContact CA-O 3.27Å; A30-K39 WeakPolarHBondContact CA-O 3.44Å; A30-V40 HydrophobicContact CB-CG2 4.3Å; A30-I76 HydrophobicContact CB-CG2 3.68Å; A30-W78 HydrophobicContact CB-CZ2 4.25Å; A30-I85 HydrophobicContact CB-CD1 4.42Å |
| 31 | C | 95.6 | Very high | 92.2 | Very high | 0 Ų | 0 | 23.6 Ų | 23.6 | 0% | 0 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 138.1 | 174.6 | 61 | 0 | 0 | 0 | 0 | 111.7 | L17 S19 A20 L38 K39 | L17-C31 HydrophobicContact CD1-CB 4.44Å; L17-C31 HydrophobicContact CD2-CB 3.97Å; S19-C31 WeakPolarHBondContact O-CA 3.02Å; A20-C31 HydrophobicContact CB-CB 4.37Å; C31-L38 WeakPolarHBondContact O-CA 3.43Å; C31-K39 PolarHBondContact N-O 3.03Å; C31-K39 PolarHBondContact O-N 3.48Å |
| 32 | G | 95.5 | Very high | 92 | Very high | 0 Ų | 0 | 24.5 Ų | 24.5 | 0% | 0 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 145.4 | -178.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | L17 K18 S19 L37 | L17-G32 CarbonylContact C-O 3.59Å; L17-G32 WeakPolarHBondContact CA-O 3.29Å; K18-G32 PolarHBondContact N-O 3.24Å; S19-G32 PolarHBondContact N-O 3.49Å; S19-G32 VanDerWaalsContact N-O 3.11Å; S19-G32 PolarHBondContact O-N 3.49Å; G32-L37 CarbonylContact C-O 3.45Å; G32-L37 VanDerWaalsContact CA-O 3.24Å; G32-L37 WeakPolarHBondContact CA-O 3.4Å |
| 33 | G | 94.7 | Very high | 91.6 | Very high | 0 Ų | 0 | 24.8 Ų | 24.8 | 0% | 0 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.1 | -162.5 | -177.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | K16 L37 D72 V73 | K16-G33 CarbonylContact O-C 3.5Å; K16-G33 WeakPolarHBondContact O-CA 3.28Å; G33-L37 PolarHBondContact N-O 3.49Å; G33-D72 WeakPolarHBondContact O-CA 3.49Å; G33-V73 PolarHBondContact O-N 2.88Å |
| 34 | E | 94.6 | Very high | 91 | Very high | 42 Ų | 42 | 28.6 Ų | 28.6 | 20% | 0.196 | 14% | 0.142 | C | C | . | . | S | Bend | trans | -66.1 | 153.9 | 177.6 | -65.4 | 174.6 | 167.7 | 0 | 0 | 111.7 | K16 K18 G36 L37 D72 | K16-E34 HydrophobicContact CB-CG 4.22Å; K16-E34 PolarHBondContact N-OE2 3.43Å; K16-E34 PolarHBondContact O-N 3.25Å; K18-E34 VanDerWaalsContact CE-CG 3.4Å; K18-E34 WeakPolarHBondContact CE-OE1 3.37Å; K18-E34 IonicContact NZ-OE1 2.86Å; K18-E34 PolarHBondContact NZ-OE1 3.38Å; E34-G36 PolarHBondContact O-N 3.36Å; E34-L37 VanDerWaalsContact O-CB 3.32Å; E34-L37 WeakPolarHBondContact O-CB 3.43Å; E34-L37 PolarHBondContact O-N 3.15Å; E34-D72 VanDerWaalsContact CA-OD1 3.27Å; E34-D72 WeakPolarHBondContact CA-OD1 3.49Å |
| 35 | D | 92 | Very high | 90.3 | Very high | 141 Ų | 141 | 27.4 Ų | 27.4 | 75% | 0.754 | 14% | 0.141 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 58.3 | 40.4 | 174.4 | -54.8 | -40.7 | 0 | 0 | 0 | 114.3 | L37 D72 | D35-L37 PolarHBondContact O-N 3.48Å; D35-D72 PolarHBondContact N-OD1 3.45Å |
| 36 | G | 91.9 | Very high | 89.4 | Confident | 8 Ų | 8 | 27 Ų | 27 | 8% | 0.082 | 14% | 0.139 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 73.9 | 7.5 | 177.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | E34 L38 H69 D71 | E34-G36 PolarHBondContact O-N 3.36Å; G36-L38 PolarHBondContact O-N 2.92Å; G36-H69 WeakPolarHBondContact CA-O 3.34Å; G36-D71 WeakPolarHBondContact CA-O 3.41Å; G36-D71 PolarHBondContact N-O 3.46Å; G36-D71 VanDerWaalsContact N-O 3.16Å |
| 37 | L | 94.1 | Very high | 88 | Confident | 25 Ų | 25 | 32.9 Ų | 32.9 | 13% | 0.131 | 17% | 0.172 | C | C | . | . | trans | -60.1 | 115.3 | 178.9 | 178.3 | 86.8 | 0 | 0 | 0 | 110.4 | I11 A15 L17 G32 G33 E34 D35 K39 | I11-L37 HydrophobicContact CG2-CD1 4.12Å; I11-L37 HydrophobicContact CG2-CD2 3.27Å; I11-L37 HydrophobicContact CG2-CG 4.32Å; A15-L37 HydrophobicContact CB-CD2 4.1Å; L17-L37 HydrophobicContact CD2-CD2 3.86Å; G32-L37 CarbonylContact C-O 3.45Å; G32-L37 VanDerWaalsContact CA-O 3.24Å; G32-L37 WeakPolarHBondContact CA-O 3.4Å; G33-L37 PolarHBondContact N-O 3.49Å; E34-L37 VanDerWaalsContact O-CB 3.32Å; E34-L37 WeakPolarHBondContact O-CB 3.43Å; E34-L37 PolarHBondContact O-N 3.15Å; D35-L37 PolarHBondContact O-N 3.48Å; L37-K39 HydrophobicContact CD1-CD 4.19Å; L37-K39 HydrophobicContact CD1-CG 4.27Å | ||
| 38 | L | 95.3 | Very high | 86.4 | Confident | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 126.1 | 166.8 | -179.3 | 59.3 | 0 | 0 | 0 | 109.4 | C31 G36 T65 L66 V73 I76 W97 | C31-L38 WeakPolarHBondContact O-CA 3.43Å; G36-L38 PolarHBondContact O-N 2.92Å; L38-T65 WeakPolarHBondContact O-CA 3.03Å; L38-L66 HydrophobicContact CB-CB 4.24Å; L38-L66 HydrophobicContact CD2-CB 3.9Å; L38-L66 HydrophobicContact CD2-CD1 3.9Å; L38-L66 HydrophobicContact CD2-CG 4.4Å; L38-L66 HydrophobicContact CG-CB 3.95Å; L38-L66 HydrophobicContact CG-CD1 4.08Å; L38-L66 HydrophobicContact CG-CG 4.29Å; L38-L66 PolarHBondContact O-N 3.27Å; L38-V73 HydrophobicContact CB-CG2 4.45Å; L38-V73 HydrophobicContact CD1-CG1 4.4Å; L38-I76 HydrophobicContact CD1-CD1 3.51Å; L38-I76 HydrophobicContact CD1-CG1 4.21Å; L38-W97 HydrophobicContact CD2-CZ2 3.68Å |
| 39 | K | 94.7 | Very high | 84.5 | Confident | 17 Ų | 17 | 40.3 Ų | 40.3 | 7% | 0.074 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 143.4 | 178.8 | -77.6 | -177.6 | 166.6 | -113.1 | 0 | 111.8 | I11 A30 C31 L37 N63 Q64 T65 | I11-K39 HydrophobicContact CD1-CD 4.45Å; A30-K39 CarbonylContact C-O 3.52Å; A30-K39 VanDerWaalsContact CA-O 3.27Å; A30-K39 WeakPolarHBondContact CA-O 3.44Å; C31-K39 PolarHBondContact N-O 3.03Å; C31-K39 PolarHBondContact O-N 3.48Å; L37-K39 HydrophobicContact CD1-CD 4.19Å; L37-K39 HydrophobicContact CD1-CG 4.27Å; K39-N63 PolarHBondContact NZ-OD1 3.22Å; K39-Q64 CarbonylContact C-O 3.53Å; K39-Q64 VanDerWaalsContact CA-O 3.3Å; K39-Q64 WeakPolarHBondContact CA-O 3.43Å; K39-T65 WeakPolarHBondContact CE-OG1 3.35Å; K39-T65 HydrophobicContact CG-CG2 4.45Å; K39-T65 PolarHBondContact NZ-OG1 3.41Å |
| 40 | V | 94.9 | Very high | 82.8 | Confident | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 124.6 | 169.8 | -175.8 | 0 | 0 | 0 | 0 | 109.5 | Y28 V29 A30 Q64 L66 I85 | Y28-V40 HydrophobicContact CD1-CG1 3.89Å; Y28-V40 HydrophobicContact CG-CG1 4.38Å; V29-V40 CarbonylContact O-C 3.58Å; V29-V40 WeakPolarHBondContact O-CA 3.17Å; A30-V40 HydrophobicContact CB-CG2 4.3Å; V40-Q64 PolarHBondContact N-O 2.94Å; V40-Q64 PolarHBondContact O-N 3.17Å; V40-L66 HydrophobicContact CG2-CD1 3.59Å; V40-L66 HydrophobicContact CG2-CG 4.1Å; V40-I85 HydrophobicContact CG1-CD1 4.34Å; V40-I85 HydrophobicContact CG2-CD1 3.64Å |
| 41 | L | 93.5 | Very high | 81.3 | Confident | 1 Ų | 1 | 53.3 Ų | 53.3 | 1% | 0.005 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 149.6 | -179.3 | -51.4 | 177.6 | 0 | 0 | 0 | 109.1 | I9 Y28 V29 L60 M62 N63 L324 | I9-L41 HydrophobicContact CD1-CD1 4.03Å; I9-L41 HydrophobicContact CG2-CD1 4.5Å; Y28-L41 CarbonylContact C-O 3.59Å; Y28-L41 VanDerWaalsContact CA-O 3.28Å; Y28-L41 WeakPolarHBondContact CA-O 3.44Å; V29-L41 HydrophobicContact CB-CB 4.39Å; V29-L41 PolarHBondContact N-O 2.82Å; V29-L41 PolarHBondContact O-N 3.41Å; L41-L60 HydrophobicContact CB-CD1 4.05Å; L41-L60 HydrophobicContact CD2-CD1 4.33Å; L41-M62 CarbonylContact C-O 3.55Å; L41-M62 VanDerWaalsContact CA-O 3.28Å; L41-M62 WeakPolarHBondContact CA-O 3.19Å; L41-N63 HydrophobicContact CD2-CB 3.92Å; L41-N63 WeakPolarHBondContact CD2-OD1 3.34Å; L41-L324 HydrophobicContact CD1-CD2 3.8Å |
| 42 | K | 90.5 | Very high | 79.7 | Confident | 40 Ų | 40 | 57.7 Ų | 57.7 | 17% | 0.174 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 124.1 | 168.3 | -162.2 | -172.3 | -168.6 | -172.8 | 0 | 110.1 | Y28 E44 V61 M62 | Y28-K42 HydrophobicContact CD1-CB 3.73Å; Y28-K42 HydrophobicContact CD1-CD 4.19Å; Y28-K42 HydrophobicContact CD1-CG 3.86Å; Y28-K42 HydrophobicContact CE1-CB 3.75Å; Y28-K42 HydrophobicContact CE1-CD 3.58Å; Y28-K42 HydrophobicContact CE1-CG 3.77Å; Y28-K42 HydrophobicContact CE2-CD 4.41Å; Y28-K42 HydrophobicContact CG-CG 4.43Å; K42-E44 HydrophobicContact CD-CG 4.02Å; K42-E44 WeakPolarHBondContact CD-OE1 3.46Å; K42-E44 WeakPolarHBondContact CE-OE1 3.45Å; K42-E44 HydrophobicContact CG-CG 4.25Å; K42-E44 IonicContact NZ-OE1 2.7Å; K42-E44 PolarHBondContact NZ-OE1 3.05Å; K42-V61 PolarHBondContact O-N 3.28Å; K42-M62 HydrophobicContact CB-CB 3.6Å; K42-M62 PolarHBondContact N-O 3.36Å; K42-M62 PolarHBondContact O-N 2.67Å |
| 43 | L | 84.1 | Confident | 78.3 | Confident | 9 Ų | 9 | 59 Ų | 59 | 5% | 0.047 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 113.1 | 173.7 | -67.3 | 176.5 | 0 | 0 | 0 | 108.7 | W22 N59 L60 F326 | W22-L43 HydrophobicContact CH2-CD1 4.48Å; W22-L43 HydrophobicContact CZ2-CD1 4.44Å; L43-N59 WeakPolarHBondContact CA-O 3.31Å; L43-L60 HydrophobicContact CD2-CB 4.27Å; L43-L60 HydrophobicContact CD2-CD1 4Å; L43-F326 HydrophobicContact CD1-CD1 3.88Å; L43-F326 HydrophobicContact CD1-CE1 3.36Å; L43-F326 HydrophobicContact CD1-CE2 4.16Å; L43-F326 HydrophobicContact CD1-CG 4.45Å; L43-F326 HydrophobicContact CD1-CZ 3.51Å |
| 44 | E | 78.2 | Confident | 77.2 | Confident | 80 Ų | 80 | 60.3 Ų | 60.3 | 37% | 0.374 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 141 | 175 | -66.2 | -173.1 | 166 | 0 | 0 | 110.7 | K42 T58 N59 V61 | K42-E44 HydrophobicContact CD-CG 4.02Å; K42-E44 WeakPolarHBondContact CD-OE1 3.46Å; K42-E44 WeakPolarHBondContact CE-OE1 3.45Å; K42-E44 HydrophobicContact CG-CG 4.25Å; K42-E44 IonicContact NZ-OE1 2.7Å; K42-E44 PolarHBondContact NZ-OE1 3.05Å; E44-T58 CarbonylContact O-C 3.53Å; E44-T58 VanDerWaalsContact O-CA 3.32Å; E44-T58 WeakPolarHBondContact O-CA 3.36Å; E44-N59 PolarHBondContact N-O 3.39Å; E44-N59 PolarHBondContact O-N 3.38Å; E44-V61 HydrophobicContact CB-CG2 3.75Å; E44-V61 HydrophobicContact CG-CB 4.29Å; E44-V61 HydrophobicContact CG-CG2 3.95Å |
| 45 | V | 72.1 | Confident | 75.6 | Confident | 56 Ų | 56 | 58.4 Ų | 58.4 | 34% | 0.339 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.1 | 130.3 | 170.6 | 178.4 | 0 | 0 | 0 | 0 | 108.4 | N47 A56 T58 | V45-N47 PolarHBondContact O-N 2.83Å; V45-N47 VanDerWaalsContact O-N 3.16Å; V45-A56 HydrophobicContact CG1-CB 3.23Å; V45-T58 HydrophobicContact CG2-CG2 4.04Å |
| 46 | Q | 64.8 | Low | 74.6 | Confident | 78 Ų | 78 | 52.3 Ų | 52.3 | 36% | 0.364 | 27% | 0.27 | S | S | . | . | trans | -66.6 | 112.6 | 173.3 | -77.6 | -173.9 | -33.8 | 0 | 0 | 110.5 | D48 S49 Q57 N59 | Q46-D48 PolarHBondContact O-N 2.83Å; Q46-S49 PolarHBondContact O-N 3.43Å; Q46-S49 PolarHBondContact O-OG 3.49Å; Q46-S49 VanDerWaalsContact O-OG 3.1Å; Q46-Q57 PolarHBondContact N-O 3.06Å; Q46-N59 VanDerWaalsContact CD-ND2 3.26Å; Q46-N59 VanDerWaalsContact CG-ND2 3.27Å; Q46-N59 WeakPolarHBondContact CG-ND2 3.46Å; Q46-N59 PolarHBondContact NE2-ND2 3.47Å | ||
| 47 | N | 55.9 | Low | 73.5 | Confident | 156 Ų | 156 | 56.7 Ų | 56.7 | 83% | 0.834 | 29% | 0.288 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.7 | -21.7 | 177.7 | -73.2 | -14.4 | 0 | 0 | 0 | 113.6 | V45 S49 | V45-N47 PolarHBondContact O-N 2.83Å; V45-N47 VanDerWaalsContact O-N 3.16Å; N47-S49 VanDerWaalsContact C-N 3.31Å; N47-S49 PolarHBondContact O-N 3.44Å |
| 48 | D | 51.2 | Low | 72.7 | Confident | 166 Ų | 166 | 57.1 Ų | 57.1 | 89% | 0.888 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.8 | -3 | -177.7 | -74.5 | -21.4 | 0 | 0 | 0 | 114.4 | Q46 K50 | Q46-D48 PolarHBondContact O-N 2.83Å; D48-K50 PolarHBondContact O-N 2.95Å |
| 49 | S | 51.4 | Low | 71.9 | Confident | 28 Ų | 28 | 60.3 Ų | 60.3 | 20% | 0.196 | 31% | 0.309 | C | S | . | . | trans | -77 | 129.5 | 179.2 | 59.2 | 0 | 0 | 0 | 0 | 110.7 | Q46 N47 H51 | Q46-S49 PolarHBondContact O-N 3.43Å; Q46-S49 PolarHBondContact O-OG 3.49Å; Q46-S49 VanDerWaalsContact O-OG 3.1Å; N47-S49 VanDerWaalsContact C-N 3.31Å; N47-S49 PolarHBondContact O-N 3.44Å; S49-H51 PolarHBondContact O-N 2.89Å; S49-H51 PolarHBondContact OG-O 3.35Å | ||
| 50 | K | 58.7 | Low | 71.4 | Confident | 204 Ų | 204 | 62.8 Ų | 62.8 | 89% | 0.887 | 32% | 0.323 | S | S | * | . | S | Bend | trans | -54.6 | -1.4 | 162.9 | -68.2 | -176.8 | 176.9 | -178 | 0 | 113.8 | D48 | D48-K50 PolarHBondContact O-N 2.95Š|
| 51 | H | 62.9 | Low | 71.1 | Confident | 69 Ų | 69 | 66.9 Ų | 66.9 | 32% | 0.319 | 35% | 0.347 | S | S | . | . | trans | -109.4 | 122.8 | -174.6 | -52.3 | -61.7 | 0 | 0 | 0 | 108.7 | S49 A55 H639 | S49-H51 PolarHBondContact O-N 2.89Å; S49-H51 PolarHBondContact OG-O 3.35Å; H51-A55 HydrophobicContact CB-CB 4.43Å; H51-H639 AromaticContact CD2-CD2 3.97Å; H51-H639 PolarHBondContact CE1-O 2.87Å; H51-H639 PolarHBondContact ND1-O 3.25Å | ||
| 52 | K | 63.6 | Low | 70.8 | Confident | 91 Ų | 91 | 68.5 Ų | 68.5 | 40% | 0.396 | 36% | 0.355 | S | S | . | . | trans | -99 | 162.2 | 176.9 | -62 | -178.8 | -177.2 | 175.6 | 0 | 110.3 | E659 E671 | K52-E659 HydrophobicContact CB-CG 4.29Å; K52-E671 IonicContact NZ-OE2 2.98Å; K52-E671 PolarHBondContact NZ-OE2 3.13Å | ||
| 53 | G | 65.8 | Low | 70.9 | Confident | 27 Ų | 27 | 70.6 Ų | 70.6 | 28% | 0.278 | 37% | 0.368 | S | S | . | . | G | 310 helix | trans | 71.5 | -144.2 | 169.9 | 0 | 0 | 0 | 0 | 0 | 116.3 | A55 A56 E659 | G53-A55 PolarHBondContact O-N 3.13Å; G53-A55 VanDerWaalsContact O-N 3.14Å; G53-A56 VanDerWaalsContact O-CB 3.29Å; G53-A56 WeakPolarHBondContact O-CB 3.26Å; G53-A56 PolarHBondContact O-N 2.83Å; G53-E659 WeakPolarHBondContact CA-OE1 3.4Å; G53-E659 PolarHBondContact N-OE1 2.82Å |
| 54 | L | 70.2 | Confident | 71.4 | Confident | 28 Ų | 28 | 72.3 Ų | 72.3 | 15% | 0.147 | 38% | 0.376 | C | S | . | . | G | 310 helix | trans | -59.2 | -23.1 | 179.8 | -75.9 | 164.8 | 0 | 0 | 0 | 113.3 | A56 R315 N328 T624 | L54-A56 VanDerWaalsContact C-N 3.32Å; L54-R315 HydrophobicContact CD2-CG 4.37Å; L54-N328 HydrophobicContact CD2-CB 4.16Å; L54-T624 WeakPolarHBondContact O-CG2 3.32Å |
| 55 | A | 62.7 | Low | 72.1 | Confident | 2 Ų | 2 | 71.6 Ų | 71.6 | 2% | 0.017 | 38% | 0.377 | C | S | . | . | G | 310 helix | trans | -81.1 | -5.5 | 173.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | H51 G53 Q57 H639 | H51-A55 HydrophobicContact CB-CB 4.43Å; G53-A55 PolarHBondContact O-N 3.13Å; G53-A55 VanDerWaalsContact O-N 3.14Å; A55-Q57 PolarHBondContact O-N 3.21Å; A55-H639 PolarHBondContact O-CD2 2.67Å; A55-H639 PolarHBondContact O-NE2 3.1Å |
| 56 | A | 69.4 | Low | 73.2 | Confident | 13 Ų | 13 | 69.1 Ų | 69.1 | 11% | 0.107 | 36% | 0.362 | C | S | . | . | S | Bend | trans | -72.1 | 134 | 176.7 | 0 | 0 | 0 | 0 | 0 | 110.2 | V45 G53 L54 | V45-A56 HydrophobicContact CG1-CB 3.23Å; G53-A56 VanDerWaalsContact O-CB 3.29Å; G53-A56 WeakPolarHBondContact O-CB 3.26Å; G53-A56 PolarHBondContact O-N 2.83Å; L54-A56 VanDerWaalsContact C-N 3.32Å |
| 57 | Q | 69.9 | Low | 74.5 | Confident | 100 Ų | 100 | 73.3 Ų | 73.3 | 47% | 0.467 | 38% | 0.382 | S | S | . | . | trans | -73.1 | 135.5 | -179.3 | -68.7 | -174.1 | 1.6 | 0 | 0 | 110 | Q46 A55 | Q46-Q57 PolarHBondContact N-O 3.06Å; A55-Q57 PolarHBondContact O-N 3.21Å | ||
| 58 | T | 76.8 | Confident | 76.1 | Confident | 35 Ų | 35 | 67.6 Ų | 67.6 | 22% | 0.215 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 120.9 | 179.7 | 54 | 0 | 0 | 0 | 0 | 111 | K7 E44 V45 | K7-T58 PolarHBondContact NZ-O 3.24Å; E44-T58 CarbonylContact O-C 3.53Å; E44-T58 VanDerWaalsContact O-CA 3.32Å; E44-T58 WeakPolarHBondContact O-CA 3.36Å; V45-T58 HydrophobicContact CG2-CG2 4.04Å |
| 59 | N | 77.7 | Confident | 78.1 | Confident | 67 Ų | 67 | 60.5 Ų | 60.5 | 36% | 0.358 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 143.3 | 176.3 | -73.1 | -15.4 | 0 | 0 | 0 | 110.7 | L43 E44 Q46 V61 | L43-N59 WeakPolarHBondContact CA-O 3.31Å; E44-N59 PolarHBondContact N-O 3.39Å; E44-N59 PolarHBondContact O-N 3.38Å; Q46-N59 VanDerWaalsContact CD-ND2 3.26Å; Q46-N59 VanDerWaalsContact CG-ND2 3.27Å; Q46-N59 WeakPolarHBondContact CG-ND2 3.46Å; Q46-N59 PolarHBondContact NE2-ND2 3.47Å; N59-V61 HydrophobicContact CB-CG2 4.3Å; N59-V61 PolarHBondContact O-N 3.19Å |
| 60 | L | 85.2 | Confident | 80.1 | Confident | 69 Ų | 69 | 63.5 Ų | 63.5 | 36% | 0.361 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.6 | 101.8 | 169.4 | -177 | 68.5 | 0 | 0 | 0 | 107.6 | I9 L41 L43 M62 N63 | I9-L60 HydrophobicContact CD1-CD1 4.31Å; L41-L60 HydrophobicContact CB-CD1 4.05Å; L41-L60 HydrophobicContact CD2-CD1 4.33Å; L43-L60 HydrophobicContact CD2-CB 4.27Å; L43-L60 HydrophobicContact CD2-CD1 4Å; L60-M62 VanDerWaalsContact CD1-O 3.24Å; L60-M62 WeakPolarHBondContact CD1-O 3.29Å; L60-N63 HydrophobicContact CD2-CB 4.13Å; L60-N63 HydrophobicContact CG-CB 4.46Å |
| 61 | V | 88.3 | Confident | 81.7 | Confident | 85 Ų | 85 | 55.6 Ų | 55.6 | 52% | 0.515 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | -27.6 | -175.9 | 179.9 | 0 | 0 | 0 | 0 | 111.5 | K42 E44 N59 | K42-V61 PolarHBondContact O-N 3.28Å; E44-V61 HydrophobicContact CB-CG2 3.75Å; E44-V61 HydrophobicContact CG-CB 4.29Å; E44-V61 HydrophobicContact CG-CG2 3.95Å; N59-V61 HydrophobicContact CB-CG2 4.3Å; N59-V61 PolarHBondContact O-N 3.19Å |
| 62 | M | 88.3 | Confident | 83.3 | Confident | 36 Ų | 36 | 53.5 Ų | 53.5 | 18% | 0.177 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 140.5 | 175.5 | -172.6 | 176.2 | -74.8 | 0 | 0 | 110.7 | Y28 L41 K42 L60 Q64 G102 | Y28-M62 HydrophobicContact CD1-SD 4.29Å; Y28-M62 HydrophobicContact CE1-CE 4.21Å; Y28-M62 HydrophobicContact CE1-SD 3.66Å; L41-M62 CarbonylContact C-O 3.55Å; L41-M62 VanDerWaalsContact CA-O 3.28Å; L41-M62 WeakPolarHBondContact CA-O 3.19Å; K42-M62 HydrophobicContact CB-CB 3.6Å; K42-M62 PolarHBondContact N-O 3.36Å; K42-M62 PolarHBondContact O-N 2.67Å; L60-M62 VanDerWaalsContact CD1-O 3.24Å; L60-M62 WeakPolarHBondContact CD1-O 3.29Å; M62-Q64 HydrophobicContact CG-CB 4.48Å; M62-G102 WeakPolarHBondContact CE-O 2.96Å |
| 63 | N | 91.7 | Very high | 84.8 | Confident | 83 Ų | 83 | 49.2 Ų | 49.2 | 44% | 0.444 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.9 | 85.2 | 171.9 | -179.1 | -0.9 | 0 | 0 | 0 | 108.1 | K39 L41 L60 | K39-N63 PolarHBondContact NZ-OD1 3.22Å; L41-N63 HydrophobicContact CD2-CB 3.92Å; L41-N63 WeakPolarHBondContact CD2-OD1 3.34Å; L60-N63 HydrophobicContact CD2-CB 4.13Å; L60-N63 HydrophobicContact CG-CB 4.46Å |
| 64 | Q | 93.7 | Very high | 86.1 | Confident | 45 Ų | 45 | 51.5 Ų | 51.5 | 21% | 0.21 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 130.9 | -178.7 | -172.5 | -179.4 | -11.6 | 0 | 0 | 109.4 | K39 V40 M62 L66 W104 | K39-Q64 CarbonylContact C-O 3.53Å; K39-Q64 VanDerWaalsContact CA-O 3.3Å; K39-Q64 WeakPolarHBondContact CA-O 3.43Å; V40-Q64 PolarHBondContact N-O 2.94Å; V40-Q64 PolarHBondContact O-N 3.17Å; M62-Q64 HydrophobicContact CG-CB 4.48Å; Q64-L66 HydrophobicContact CG-CD2 3.89Å; Q64-W104 PolarHBondContact NE2-O 2.91Å |
| 65 | T | 93.9 | Very high | 87.3 | Confident | 65 Ų | 65 | 50.8 Ų | 50.8 | 40% | 0.399 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | 133.7 | 164.4 | -53.2 | 0 | 0 | 0 | 0 | 108.2 | L38 K39 | L38-T65 WeakPolarHBondContact O-CA 3.03Å; K39-T65 WeakPolarHBondContact CE-OG1 3.35Å; K39-T65 HydrophobicContact CG-CG2 4.45Å; K39-T65 PolarHBondContact NZ-OG1 3.41Å |
| 66 | L | 94.8 | Very high | 88.8 | Confident | 5 Ų | 5 | 51.3 Ų | 51.3 | 3% | 0.026 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 120.3 | 175.3 | -53.2 | -172.4 | 0 | 0 | 0 | 108.2 | L38 V40 Q64 W97 W104 | L38-L66 HydrophobicContact CB-CB 4.24Å; L38-L66 HydrophobicContact CD2-CB 3.9Å; L38-L66 HydrophobicContact CD2-CD1 3.9Å; L38-L66 HydrophobicContact CD2-CG 4.4Å; L38-L66 HydrophobicContact CG-CB 3.95Å; L38-L66 HydrophobicContact CG-CD1 4.08Å; L38-L66 HydrophobicContact CG-CG 4.29Å; L38-L66 PolarHBondContact O-N 3.27Å; V40-L66 HydrophobicContact CG2-CD1 3.59Å; V40-L66 HydrophobicContact CG2-CG 4.1Å; Q64-L66 HydrophobicContact CG-CD2 3.89Å; L66-W97 HydrophobicContact CB-CD2 4.46Å; L66-W97 HydrophobicContact CB-CE3 4.17Å; L66-W97 HydrophobicContact CB-CH2 3.73Å; L66-W97 HydrophobicContact CB-CZ2 4Å; L66-W97 HydrophobicContact CB-CZ3 3.8Å; L66-W97 HydrophobicContact CD1-CD2 3.67Å; L66-W97 HydrophobicContact CD1-CE3 3.86Å; L66-W97 HydrophobicContact CD1-CG 3.98Å; L66-W97 HydrophobicContact CD1-CZ2 4.49Å; L66-W97 HydrophobicContact CD1-CZ3 4.36Å; L66-W97 HydrophobicContact CD2-CE3 4.45Å; L66-W97 HydrophobicContact CG-CE3 4.38Å; L66-W97 HydrophobicContact CG-CZ3 4.46Å; L66-W104 HydrophobicContact CD1-CB 4.28Å; L66-W104 HydrophobicContact CD2-CB 3.56Å; L66-W104 HydrophobicContact CD2-CG 4.42Å |
| 67 | E | 91.7 | Very high | 90 | Very high | 166 Ų | 166 | 51.4 Ų | 51.4 | 78% | 0.776 | 28% | 0.283 | S | S | * | . | P | Polyproline II helix | trans | -99.4 | 125.3 | -179.6 | -64.1 | 179.5 | 179.5 | 0 | 0 | 108.4 | W97 | E67-W97 WeakPolarHBondContact O-CH2 3.13Š|
| 68 | G | 90.2 | Very high | 91.1 | Very high | 35 Ų | 35 | 47.8 Ų | 47.8 | 36% | 0.361 | 27% | 0.265 | S | S | . | . | trans | 175.1 | -35.7 | -180 | 0 | 0 | 0 | 0 | 0 | 113.1 | E106 | G68-E106 WeakPolarHBondContact CA-OE1 3.48Š| ||
| 69 | H | 93.8 | Very high | 91.9 | Very high | 17 Ų | 17 | 46.2 Ų | 46.2 | 8% | 0.079 | 26% | 0.255 | C | S | . | . | trans | -86.3 | 141.3 | 172.5 | -69.3 | -70 | 0 | 0 | 0 | 111.7 | G36 V73 S87 D89 L93 | G36-H69 WeakPolarHBondContact CA-O 3.34Å; H69-V73 HydrophobicContact CB-CG2 3.85Å; H69-S87 PolarHBondContact NE2-OG 3.27Å; H69-D89 HydrophobicContact CB-CB 4.45Å; H69-D89 IonicContact CE1-OD2 3.95Å; H69-D89 IonicContact CG-OD2 3.82Å; H69-D89 WeakPolarHBondContact ND1-CB 3.33Å; H69-D89 IonicContact ND1-OD2 2.9Å; H69-D89 PolarHBondContact ND1-OD2 3.13Å; H69-L93 PolarHBondContact CE1-O 3.5Å | ||
| 70 | S | 92.6 | Very high | 92.5 | Very high | 91 Ų | 91 | 44.5 Ų | 44.5 | 64% | 0.636 | 25% | 0.245 | S | C | * | . | S | Bend | trans | -100.1 | -12.3 | 172.8 | 50.1 | 0 | 0 | 0 | 0 | 113.5 | ||
| 71 | D | 93.6 | Very high | 92.7 | Very high | 39 Ų | 39 | 46.6 Ų | 46.6 | 21% | 0.209 | 25% | 0.251 | C | S | . | . | S | Bend | trans | -133 | 167.9 | -166.3 | -75 | -87 | 0 | 0 | 0 | 110.9 | G36 V73 D89 Q90 N91 | G36-D71 WeakPolarHBondContact CA-O 3.41Å; G36-D71 PolarHBondContact N-O 3.46Å; G36-D71 VanDerWaalsContact N-O 3.16Å; D71-V73 PolarHBondContact O-N 3.34Å; D71-D89 HydrophobicContact CB-CB 4.15Å; D71-Q90 HydrophobicContact CB-CG 3.63Å; D71-Q90 PolarHBondContact OD1-NE2 3.49Å; D71-N91 PolarHBondContact OD1-ND2 3.19Å; D71-N91 PolarHBondContact OD2-ND2 3.3Å |
| 72 | D | 94.9 | Very high | 92.8 | Very high | 25 Ų | 25 | 47.2 Ų | 47.2 | 13% | 0.134 | 25% | 0.247 | C | C | . | . | trans | -52.1 | 123.2 | -175.9 | -70 | 12.9 | 0 | 0 | 0 | 112.9 | K18 G33 E34 D35 Q74 D89 Q90 | K18-D72 WeakPolarHBondContact CE-OD2 3.22Å; K18-D72 IonicContact NZ-OD2 3.9Å; G33-D72 WeakPolarHBondContact O-CA 3.49Å; E34-D72 VanDerWaalsContact CA-OD1 3.27Å; E34-D72 WeakPolarHBondContact CA-OD1 3.49Å; D35-D72 PolarHBondContact N-OD1 3.45Å; D72-Q74 VanDerWaalsContact CB-NE2 3.26Å; D72-Q74 PolarHBondContact O-N 3.5Å; D72-D89 CarbonylContact O-C 3.56Å; D72-D89 WeakPolarHBondContact O-CA 3.46Å; D72-D89 WeakPolarHBondContact O-CB 3.12Å; D72-Q90 HydrophobicContact CB-CG 4.28Å; D72-Q90 PolarHBondContact O-N 3.2Å | ||
| 73 | V | 96 | Very high | 92.9 | Very high | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84 | 107.1 | -178.8 | -178 | 0 | 0 | 0 | 0 | 110.5 | S19 G33 L38 H69 D71 I76 S88 | S19-V73 PolarHBondContact OG-O 3.36Å; S19-V73 VanDerWaalsContact OG-O 3.07Å; G33-V73 PolarHBondContact O-N 2.88Å; L38-V73 HydrophobicContact CB-CG2 4.45Å; L38-V73 HydrophobicContact CD1-CG1 4.4Å; H69-V73 HydrophobicContact CB-CG2 3.85Å; D71-V73 PolarHBondContact O-N 3.34Å; V73-I76 HydrophobicContact CG1-CD1 4.21Å; V73-I76 HydrophobicContact CG1-CG1 4.04Å; V73-S88 CarbonylContact C-O 3.6Å |
| 74 | Q | 92.9 | Very high | 93 | Very high | 75 Ų | 75 | 49.1 Ų | 49.1 | 35% | 0.35 | 25% | 0.247 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | -33.8 | -169.4 | -61.6 | -61.7 | -34.4 | 0 | 0 | 114.1 | S19 D72 S88 Q90 | S19-Q74 WeakPolarHBondContact CB-O 3.45Å; D72-Q74 VanDerWaalsContact CB-NE2 3.26Å; D72-Q74 PolarHBondContact O-N 3.5Å; Q74-S88 PolarHBondContact N-O 3.14Å; Q74-Q90 HydrophobicContact CG-CB 4.29Å |
| 75 | V | 94.5 | Very high | 93.1 | Very high | 14 Ų | 14 | 47 Ų | 47 | 9% | 0.085 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 135.9 | -174.4 | -174.5 | 0 | 0 | 0 | 0 | 109.9 | I77 S87 S88 M120 | V75-I77 HydrophobicContact CG1-CG2 4.23Å; V75-S87 CarbonylContact O-C 3.53Å; V75-S87 VanDerWaalsContact O-CA 3.28Å; V75-S87 WeakPolarHBondContact O-CA 3.36Å; V75-S88 WeakPolarHBondContact CB-OG 3.44Å; V75-S88 PolarHBondContact N-O 3.41Å; V75-S88 PolarHBondContact O-N 3.23Å; V75-M120 HydrophobicContact CB-CE 3.88Å; V75-M120 HydrophobicContact CG1-CB 4.42Å; V75-M120 HydrophobicContact CG1-CE 3.72Å |
| 76 | I | 96 | Very high | 93.2 | Very high | 12 Ų | 12 | 43.9 Ų | 43.9 | 6% | 0.062 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.9 | 126.2 | 175.5 | -59.5 | 173.1 | 0 | 0 | 0 | 109 | S19 A30 L38 V73 I85 T86 | S19-I76 WeakPolarHBondContact OG-CD1 3.13Å; A30-I76 HydrophobicContact CB-CG2 3.68Å; L38-I76 HydrophobicContact CD1-CD1 3.51Å; L38-I76 HydrophobicContact CD1-CG1 4.21Å; V73-I76 HydrophobicContact CG1-CD1 4.21Å; V73-I76 HydrophobicContact CG1-CG1 4.04Å; I76-I85 HydrophobicContact CG2-CG2 3.87Å; I76-T86 CarbonylContact C-O 3.58Å; I76-T86 WeakPolarHBondContact CA-O 3.46Å |
| 77 | I | 94.7 | Very high | 93.3 | Very high | 16 Ų | 16 | 43.7 Ų | 43.7 | 8% | 0.082 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 163.1 | -179.1 | 62.2 | 169.2 | 0 | 0 | 0 | 114 | V75 T86 M120 W122 I129 | V75-I77 HydrophobicContact CG1-CG2 4.23Å; I77-T86 PolarHBondContact N-O 2.93Å; I77-T86 PolarHBondContact O-N 2.94Å; I77-M120 HydrophobicContact CD1-CB 3.49Å; I77-M120 VanDerWaalsContact CD1-CB 3.49Å; I77-M120 HydrophobicContact CG1-CB 4.39Å; I77-M120 VanDerWaalsContact CG2-O 3.23Å; I77-M120 WeakPolarHBondContact CG2-O 3.18Å; I77-W122 VanDerWaalsContact CD1-CD1 3.44Å; I77-W122 HydrophobicContact CD1-CG 4.4Å; I77-I129 HydrophobicContact CD1-CD1 3.82Å; I77-I129 HydrophobicContact CD1-CG1 4.23Å |
| 78 | W | 92.9 | Very high | 93.5 | Very high | 24 Ų | 24 | 35.8 Ų | 35.8 | 9% | 0.091 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 135.6 | -174.8 | -72.5 | 101 | 0 | 0 | 0 | 114 | S21 A30 E80 I85 W104 | S21-W78 PolarHBondContact O-NE1 3.27Å; S21-W78 PolarHBondContact OG-NE1 3.04Å; A30-W78 HydrophobicContact CB-CZ2 4.25Å; W78-E80 HydrophobicContact CB-CG 4.3Å; W78-I85 HydrophobicContact CD2-CG1 4.43Å; W78-I85 HydrophobicContact CE3-CG1 3.87Å; W78-I85 HydrophobicContact CH2-CD1 3.55Å; W78-I85 HydrophobicContact CH2-CG1 3.45Å; W78-I85 VanDerWaalsContact CH2-CG1 3.45Å; W78-I85 HydrophobicContact CZ2-CD1 4.19Å; W78-I85 HydrophobicContact CZ2-CG1 4.06Å; W78-I85 HydrophobicContact CZ3-CD1 3.93Å; W78-I85 HydrophobicContact CZ3-CG1 3.36Å; W78-W104 HydrophobicContact CH2-CH2 4.39Å; W78-W104 HydrophobicContact CH2-CZ2 4.38Å; W78-W104 AromaticContact CZ3-CH2 3.96Å; W78-W104 HydrophobicContact CZ3-CH2 3.96Å; W78-W104 HydrophobicContact CZ3-CZ2 4.35Å |
| 79 | N | 93.2 | Very high | 93.8 | Very high | 1 Ų | 1 | 34.2 Ų | 34.2 | 1% | 0.005 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 92.9 | 153.6 | -168.5 | -27.5 | 0 | 0 | 0 | 108.4 | K81 F82 R83 K84 W122 G126 | N79-K81 VanDerWaalsContact C-N 3.34Å; N79-K81 PolarHBondContact O-N 2.96Å; N79-K81 PolarHBondContact OD1-N 3.13Å; N79-F82 PolarHBondContact O-N 3.49Å; N79-F82 WeakPolarHBondContact OD1-CD2 3.48Å; N79-F82 PolarHBondContact OD1-N 3.16Å; N79-F82 VanDerWaalsContact OD1-N 3.12Å; N79-R83 WeakPolarHBondContact O-CA 3.49Å; N79-R83 PolarHBondContact O-N 2.91Å; N79-K84 HydrophobicContact CB-CB 4.12Å; N79-K84 PolarHBondContact N-O 3.06Å; N79-K84 PolarHBondContact O-N 3.02Å; N79-K84 VanDerWaalsContact O-N 3.13Å; N79-W122 HydrophobicContact CB-CD2 3.73Å; N79-W122 HydrophobicContact CB-CE3 4.19Å; N79-W122 HydrophobicContact CB-CG 4.07Å; N79-W122 HydrophobicContact CB-CH2 4.39Å; N79-W122 HydrophobicContact CB-CZ2 3.95Å; N79-W122 WeakPolarHBondContact ND2-CH2 3.46Å; N79-W122 WeakPolarHBondContact ND2-CZ3 3.39Å; N79-G126 PolarHBondContact ND2-O 3.45Å; N79-G126 WeakPolarHBondContact OD1-CA 3.47Å |
| 80 | E | 89.5 | Confident | 93.7 | Very high | 32 Ų | 32 | 37.1 Ų | 37.1 | 15% | 0.15 | 18% | 0.177 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.3 | -44.2 | -177.7 | -59.5 | -68.9 | -178.7 | 0 | 0 | 111 | S23 K24 E25 H26 W78 F82 R83 | S23-E80 VanDerWaalsContact CA-OE1 3.26Å; S23-E80 WeakPolarHBondContact CA-OE1 3.35Å; S23-E80 PolarHBondContact OG-OE2 2.94Å; K24-E80 PolarHBondContact N-OE1 2.86Å; E25-E80 HydrophobicContact CG-CB 4.28Å; H26-E80 IonicContact CD2-OE2 2.82Å; H26-E80 PolarHBondContact NE2-O 3.14Å; W78-E80 HydrophobicContact CB-CG 4.3Å; E80-F82 PolarHBondContact O-N 3.2Å; E80-R83 PolarHBondContact O-N 3.01Å |
| 81 | K | 89.6 | Confident | 93.7 | Very high | 112 Ų | 112 | 37 Ų | 37 | 49% | 0.487 | 17% | 0.169 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.3 | -39.8 | -177.7 | -66.6 | -160.2 | -176.2 | -179.3 | 0 | 113.2 | N79 S124 D125 | N79-K81 VanDerWaalsContact C-N 3.34Å; N79-K81 PolarHBondContact O-N 2.96Å; N79-K81 PolarHBondContact OD1-N 3.13Å; K81-S124 WeakPolarHBondContact CE-O 3.48Å; K81-S124 PolarHBondContact NZ-O 3.25Å; K81-D125 WeakPolarHBondContact CD-O 3.44Å; K81-D125 IonicContact NZ-OD1 2.93Å; K81-D125 PolarHBondContact NZ-OD1 3.04Å |
| 82 | F | 90.5 | Very high | 93.6 | Very high | 98 Ų | 98 | 35.2 Ų | 35.2 | 43% | 0.43 | 16% | 0.16 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -101.8 | 2.8 | -179.2 | -66.9 | -87.2 | 0 | 0 | 0 | 114 | N79 E80 K84 G126 V143 | N79-F82 PolarHBondContact O-N 3.49Å; N79-F82 WeakPolarHBondContact OD1-CD2 3.48Å; N79-F82 PolarHBondContact OD1-N 3.16Å; N79-F82 VanDerWaalsContact OD1-N 3.12Å; E80-F82 PolarHBondContact O-N 3.2Å; F82-K84 VanDerWaalsContact C-N 3.3Å; F82-K84 HydrophobicContact CB-CD 4.35Å; F82-K84 HydrophobicContact CB-CG 4.13Å; F82-K84 PolarHBondContact O-N 3.25Å; F82-G126 WeakPolarHBondContact CD2-O 3.27Å; F82-G126 WeakPolarHBondContact CE2-O 3.39Å; F82-V143 HydrophobicContact CB-CG2 4.39Å; F82-V143 HydrophobicContact CD1-CG2 4.32Å; F82-V143 HydrophobicContact CD2-CG2 3.87Å; F82-V143 HydrophobicContact CE2-CG1 4.36Å; F82-V143 HydrophobicContact CE2-CG2 4.18Å; F82-V143 HydrophobicContact CG-CG2 3.94Å; F82-V143 HydrophobicContact CZ-CG1 4.23Å |
| 83 | R | 90.5 | Very high | 93.6 | Very high | 138 Ų | 138 | 35.2 Ų | 35.2 | 52% | 0.521 | 16% | 0.16 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 52.6 | 44.7 | -177.8 | -59.2 | -177.1 | 177.7 | -170.2 | -4.4 | 113.2 | H26 N79 E80 W104 | H26-R83 PolarHBondContact CE1-NE 3.04Å; H26-R83 PolarHBondContact ND1-NE 3.37Å; N79-R83 WeakPolarHBondContact O-CA 3.49Å; N79-R83 PolarHBondContact O-N 2.91Å; E80-R83 PolarHBondContact O-N 3.01Å; R83-W104 WeakPolarHBondContact O-CH2 3.32Å; R83-W104 WeakPolarHBondContact O-CZ3 3.44Å |
| 84 | K | 93.5 | Very high | 93.6 | Very high | 21 Ų | 21 | 35.5 Ų | 35.5 | 9% | 0.091 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 146.1 | 177.9 | -55.3 | -174.5 | -179.4 | -165.1 | 0 | 111.1 | N79 F82 V96 W97 E107 | N79-K84 HydrophobicContact CB-CB 4.12Å; N79-K84 PolarHBondContact N-O 3.06Å; N79-K84 PolarHBondContact O-N 3.02Å; N79-K84 VanDerWaalsContact O-N 3.13Å; F82-K84 VanDerWaalsContact C-N 3.3Å; F82-K84 HydrophobicContact CB-CD 4.35Å; F82-K84 HydrophobicContact CB-CG 4.13Å; F82-K84 PolarHBondContact O-N 3.25Å; K84-V96 HydrophobicContact CB-CG1 4.13Å; K84-V96 HydrophobicContact CD-CG1 3.92Å; K84-W97 VanDerWaalsContact CA-O 3.3Å; K84-W97 WeakPolarHBondContact CA-O 3.39Å; K84-E107 VanDerWaalsContact CD-OE2 3.25Å; K84-E107 WeakPolarHBondContact CD-OE2 3.38Å; K84-E107 WeakPolarHBondContact CE-OE2 3.33Å; K84-E107 IonicContact NZ-OE1 3.75Å; K84-E107 PolarHBondContact NZ-OE1 3.35Å; K84-E107 IonicContact NZ-OE2 2.69Å; K84-E107 PolarHBondContact NZ-OE2 3.16Å |
| 85 | I | 95.5 | Very high | 93.8 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 138.8 | 169.9 | -60.9 | 166 | 0 | 0 | 0 | 107.3 | A30 V40 I76 W78 V96 W97 W104 | A30-I85 HydrophobicContact CB-CD1 4.42Å; V40-I85 HydrophobicContact CG1-CD1 4.34Å; V40-I85 HydrophobicContact CG2-CD1 3.64Å; I76-I85 HydrophobicContact CG2-CG2 3.87Å; W78-I85 HydrophobicContact CD2-CG1 4.43Å; W78-I85 HydrophobicContact CE3-CG1 3.87Å; W78-I85 HydrophobicContact CH2-CD1 3.55Å; W78-I85 HydrophobicContact CH2-CG1 3.45Å; W78-I85 VanDerWaalsContact CH2-CG1 3.45Å; W78-I85 HydrophobicContact CZ2-CD1 4.19Å; W78-I85 HydrophobicContact CZ2-CG1 4.06Å; W78-I85 HydrophobicContact CZ3-CD1 3.93Å; W78-I85 HydrophobicContact CZ3-CG1 3.36Å; I85-V96 CarbonylContact O-C 3.52Å; I85-V96 WeakPolarHBondContact O-CA 3.25Å; I85-W97 HydrophobicContact CB-CB 4.21Å; I85-W97 PolarHBondContact N-O 3.02Å; I85-W97 VanDerWaalsContact N-O 3.08Å; I85-W97 PolarHBondContact O-N 3.35Å; I85-W104 HydrophobicContact CB-CZ3 4.4Å; I85-W104 HydrophobicContact CD1-CD2 3.96Å; I85-W104 HydrophobicContact CD1-CE3 3.82Å; I85-W104 HydrophobicContact CD1-CH2 3.67Å; I85-W104 HydrophobicContact CD1-CZ2 3.8Å; I85-W104 HydrophobicContact CD1-CZ3 3.68Å; I85-W104 HydrophobicContact CG1-CE3 4.26Å; I85-W104 HydrophobicContact CG1-CH2 3.79Å; I85-W104 HydrophobicContact CG1-CZ2 4.39Å; I85-W104 HydrophobicContact CG1-CZ3 3.71Å |
| 86 | T | 96.5 | Very high | 93.9 | Very high | 1 Ų | 1 | 32.2 Ų | 32.2 | 1% | 0.006 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 123.6 | 169.9 | -51.4 | 0 | 0 | 0 | 0 | 108.8 | I76 I77 I94 I95 V96 M120 I129 | I76-T86 CarbonylContact C-O 3.58Å; I76-T86 WeakPolarHBondContact CA-O 3.46Å; I77-T86 PolarHBondContact N-O 2.93Å; I77-T86 PolarHBondContact O-N 2.94Å; T86-I94 HydrophobicContact CG2-CG2 3.53Å; T86-I95 WeakPolarHBondContact CA-O 3.29Å; T86-V96 HydrophobicContact CG2-CG2 4.07Å; T86-M120 HydrophobicContact CG2-CE 4.25Å; T86-M120 HydrophobicContact CG2-SD 4.1Å; T86-I129 HydrophobicContact CG2-CD1 4.03Å |
| 87 | S | 96.9 | Very high | 93.9 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 151 | 178.4 | 59.4 | 0 | 0 | 0 | 0 | 110.9 | H69 V75 I94 I95 W97 | H69-S87 PolarHBondContact NE2-OG 3.27Å; V75-S87 CarbonylContact O-C 3.53Å; V75-S87 VanDerWaalsContact O-CA 3.28Å; V75-S87 WeakPolarHBondContact O-CA 3.36Å; S87-I94 CarbonylContact O-C 3.56Å; S87-I94 VanDerWaalsContact O-CA 3.28Å; S87-I94 WeakPolarHBondContact O-CA 3.28Å; S87-I95 PolarHBondContact N-O 3.36Å; S87-I95 PolarHBondContact O-N 2.9Å; S87-W97 PolarHBondContact OG-NE1 2.97Å |
| 88 | S | 96.2 | Very high | 93.9 | Very high | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.4 | 147.1 | 168.1 | 70.5 | 0 | 0 | 0 | 0 | 113.3 | V73 Q74 V75 L93 M120 | V73-S88 CarbonylContact C-O 3.6Å; Q74-S88 PolarHBondContact N-O 3.14Å; V75-S88 WeakPolarHBondContact CB-OG 3.44Å; V75-S88 PolarHBondContact N-O 3.41Å; V75-S88 PolarHBondContact O-N 3.23Å; S88-L93 WeakPolarHBondContact CA-O 3.45Å; S88-L93 WeakPolarHBondContact CB-O 3.45Å; S88-M120 WeakPolarHBondContact OG-CE 3.44Å |
| 89 | D | 95.1 | Very high | 93.8 | Very high | 2 Ų | 2 | 35.5 Ų | 35.5 | 1% | 0.011 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 174.2 | 173.9 | 63.9 | 31.1 | 0 | 0 | 0 | 113.7 | H69 D71 D72 N91 G92 L93 | H69-D89 HydrophobicContact CB-CB 4.45Å; H69-D89 IonicContact CE1-OD2 3.95Å; H69-D89 IonicContact CG-OD2 3.82Å; H69-D89 WeakPolarHBondContact ND1-CB 3.33Å; H69-D89 IonicContact ND1-OD2 2.9Å; H69-D89 PolarHBondContact ND1-OD2 3.13Å; D71-D89 HydrophobicContact CB-CB 4.15Å; D72-D89 CarbonylContact O-C 3.56Å; D72-D89 WeakPolarHBondContact O-CA 3.46Å; D72-D89 WeakPolarHBondContact O-CB 3.12Å; D89-N91 PolarHBondContact O-N 2.93Å; D89-N91 WeakPolarHBondContact OD1-CA 3.44Å; D89-N91 PolarHBondContact OD1-N 2.88Å; D89-G92 PolarHBondContact O-N 2.96Å; D89-G92 PolarHBondContact OD1-N 3.45Å; D89-G92 VanDerWaalsContact OD1-N 3.08Å; D89-L93 PolarHBondContact N-O 3.33Å; D89-L93 VanDerWaalsContact N-O 3.1Å; D89-L93 WeakPolarHBondContact OD1-CB 3.38Å; D89-L93 PolarHBondContact OD1-N 2.96Å; D89-L93 VanDerWaalsContact OD2-CB 3.29Å; D89-L93 WeakPolarHBondContact OD2-CB 3.47Å |
| 90 | Q | 92.6 | Very high | 93.6 | Very high | 79 Ų | 79 | 41.5 Ų | 41.5 | 37% | 0.369 | 19% | 0.187 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.7 | -24 | 178.1 | 57.8 | 177.8 | 7.6 | 0 | 0 | 114.3 | D71 D72 Q74 G92 S116 | D71-Q90 HydrophobicContact CB-CG 3.63Å; D71-Q90 PolarHBondContact OD1-NE2 3.49Å; D72-Q90 HydrophobicContact CB-CG 4.28Å; D72-Q90 PolarHBondContact O-N 3.2Å; Q74-Q90 HydrophobicContact CG-CB 4.29Å; Q90-G92 VanDerWaalsContact C-N 3.33Å; Q90-S116 VanDerWaalsContact O-CB 3.29Å; Q90-S116 WeakPolarHBondContact O-CB 3.28Å |
| 91 | N | 91.9 | Very high | 93.6 | Very high | 88 Ų | 88 | 48.5 Ų | 48.5 | 47% | 0.471 | 22% | 0.217 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88.9 | -3.7 | 179.3 | -73 | -26.2 | 0 | 0 | 0 | 112.5 | D71 D89 | D71-N91 PolarHBondContact OD1-ND2 3.19Å; D71-N91 PolarHBondContact OD2-ND2 3.3Å; D89-N91 PolarHBondContact O-N 2.93Å; D89-N91 WeakPolarHBondContact OD1-CA 3.44Å; D89-N91 PolarHBondContact OD1-N 2.88Å |
| 92 | G | 92 | Very high | 93.5 | Very high | 1 Ų | 1 | 45.5 Ų | 45.5 | 1% | 0.01 | 22% | 0.218 | C | C | . | . | trans | 84.5 | 17.2 | 177 | 0 | 0 | 0 | 0 | 0 | 114.2 | D89 Q90 | D89-G92 PolarHBondContact O-N 2.96Å; D89-G92 PolarHBondContact OD1-N 3.45Å; D89-G92 VanDerWaalsContact OD1-N 3.08Å; Q90-G92 VanDerWaalsContact C-N 3.33Å | ||
| 93 | L | 95.7 | Very high | 93.5 | Very high | 26 Ų | 26 | 42 Ų | 42 | 14% | 0.136 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.7 | 130 | 165.3 | 178.4 | 67 | 0 | 0 | 0 | 108.2 | H69 S88 D89 I95 I109 N111 | H69-L93 PolarHBondContact CE1-O 3.5Å; S88-L93 WeakPolarHBondContact CA-O 3.45Å; S88-L93 WeakPolarHBondContact CB-O 3.45Å; D89-L93 PolarHBondContact N-O 3.33Å; D89-L93 VanDerWaalsContact N-O 3.1Å; D89-L93 WeakPolarHBondContact OD1-CB 3.38Å; D89-L93 PolarHBondContact OD1-N 2.96Å; D89-L93 VanDerWaalsContact OD2-CB 3.29Å; D89-L93 WeakPolarHBondContact OD2-CB 3.47Å; L93-I95 HydrophobicContact CD2-CD1 4.15Å; L93-I95 HydrophobicContact CD2-CG1 4.39Å; L93-I95 HydrophobicContact CG-CD1 4.48Å; L93-I95 HydrophobicContact CG-CG1 4.19Å; L93-I109 HydrophobicContact CD1-CG2 3.46Å; L93-I109 VanDerWaalsContact CD1-CG2 3.46Å; L93-N111 HydrophobicContact CD1-CB 3.75Å |
| 94 | I | 96 | Very high | 93.7 | Very high | 5 Ų | 5 | 35.7 Ų | 35.7 | 3% | 0.026 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 131.2 | 176.4 | -55.2 | 172.4 | 0 | 0 | 0 | 107.8 | T86 S87 I109 N110 V117 M120 I131 | T86-I94 HydrophobicContact CG2-CG2 3.53Å; S87-I94 CarbonylContact O-C 3.56Å; S87-I94 VanDerWaalsContact O-CA 3.28Å; S87-I94 WeakPolarHBondContact O-CA 3.28Å; I94-I109 WeakPolarHBondContact O-CA 3.42Å; I94-N110 HydrophobicContact CB-CB 4.38Å; I94-N110 PolarHBondContact N-O 3.47Å; I94-N110 PolarHBondContact O-N 3.39Å; I94-V117 HydrophobicContact CD1-CG2 3.78Å; I94-V117 HydrophobicContact CG1-CG2 3.87Å; I94-M120 HydrophobicContact CD1-SD 4.01Å; I94-M120 HydrophobicContact CG1-SD 4.28Å; I94-M120 HydrophobicContact CG2-SD 4.07Å; I94-I131 HydrophobicContact CD1-CD1 3.93Å; I94-I131 HydrophobicContact CD1-CG2 3.77Å |
| 95 | I | 96.4 | Very high | 93.6 | Very high | 1 Ų | 1 | 40.5 Ų | 40.5 | 1% | 0.005 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 129.6 | 175 | -53.2 | 178.7 | 0 | 0 | 0 | 108.8 | T86 S87 L93 W97 E106 M108 I109 | T86-I95 WeakPolarHBondContact CA-O 3.29Å; S87-I95 PolarHBondContact N-O 3.36Å; S87-I95 PolarHBondContact O-N 2.9Å; L93-I95 HydrophobicContact CD2-CD1 4.15Å; L93-I95 HydrophobicContact CD2-CG1 4.39Å; L93-I95 HydrophobicContact CG-CD1 4.48Å; L93-I95 HydrophobicContact CG-CG1 4.19Å; I95-W97 HydrophobicContact CB-CZ2 3.94Å; I95-W97 HydrophobicContact CD1-CH2 4.37Å; I95-W97 HydrophobicContact CD1-CZ2 3.88Å; I95-W97 HydrophobicContact CG2-CD2 3.91Å; I95-W97 VanDerWaalsContact CG2-CE2 3.42Å; I95-W97 HydrophobicContact CG2-CE3 4.44Å; I95-W97 HydrophobicContact CG2-CG 4.4Å; I95-W97 HydrophobicContact CG2-CH2 4.09Å; I95-W97 HydrophobicContact CG2-CZ2 3.53Å; I95-E106 HydrophobicContact CG2-CB 4.29Å; I95-E106 HydrophobicContact CG2-CG 3.99Å; I95-M108 WeakPolarHBondContact CA-O 3.39Å; I95-I109 HydrophobicContact CG1-CG1 4.37Å; I95-I109 HydrophobicContact CG2-CG1 4.37Å |
| 96 | V | 96.3 | Very high | 93.6 | Very high | 20 Ų | 20 | 44.8 Ų | 44.8 | 12% | 0.121 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 126.9 | 169.8 | -175.8 | 0 | 0 | 0 | 0 | 108 | K84 I85 T86 E107 M108 | K84-V96 HydrophobicContact CB-CG1 4.13Å; K84-V96 HydrophobicContact CD-CG1 3.92Å; I85-V96 CarbonylContact O-C 3.52Å; I85-V96 WeakPolarHBondContact O-CA 3.25Å; T86-V96 HydrophobicContact CG2-CG2 4.07Å; V96-E107 PolarHBondContact O-N 3.16Å; V96-M108 HydrophobicContact CB-CB 4.02Å; V96-M108 HydrophobicContact CG2-CB 4.14Å; V96-M108 PolarHBondContact N-O 2.99Å; V96-M108 PolarHBondContact O-N 3.28Å |
| 97 | W | 96 | Very high | 93.4 | Very high | 6 Ų | 6 | 48.4 Ų | 48.4 | 2% | 0.023 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 139 | -177.6 | -50.2 | 84.3 | 0 | 0 | 0 | 110.7 | L38 L66 E67 K84 I85 S87 I95 W104 Y105 E106 | L38-W97 HydrophobicContact CD2-CZ2 3.68Å; L66-W97 HydrophobicContact CB-CD2 4.46Å; L66-W97 HydrophobicContact CB-CE3 4.17Å; L66-W97 HydrophobicContact CB-CH2 3.73Å; L66-W97 HydrophobicContact CB-CZ2 4Å; L66-W97 HydrophobicContact CB-CZ3 3.8Å; L66-W97 HydrophobicContact CD1-CD2 3.67Å; L66-W97 HydrophobicContact CD1-CE3 3.86Å; L66-W97 HydrophobicContact CD1-CG 3.98Å; L66-W97 HydrophobicContact CD1-CZ2 4.49Å; L66-W97 HydrophobicContact CD1-CZ3 4.36Å; L66-W97 HydrophobicContact CD2-CE3 4.45Å; L66-W97 HydrophobicContact CG-CE3 4.38Å; L66-W97 HydrophobicContact CG-CZ3 4.46Å; E67-W97 WeakPolarHBondContact O-CH2 3.13Å; K84-W97 VanDerWaalsContact CA-O 3.3Å; K84-W97 WeakPolarHBondContact CA-O 3.39Å; I85-W97 HydrophobicContact CB-CB 4.21Å; I85-W97 PolarHBondContact N-O 3.02Å; I85-W97 VanDerWaalsContact N-O 3.08Å; I85-W97 PolarHBondContact O-N 3.35Å; S87-W97 PolarHBondContact OG-NE1 2.97Å; I95-W97 HydrophobicContact CB-CZ2 3.94Å; I95-W97 HydrophobicContact CD1-CH2 4.37Å; I95-W97 HydrophobicContact CD1-CZ2 3.88Å; I95-W97 HydrophobicContact CG2-CD2 3.91Å; I95-W97 VanDerWaalsContact CG2-CE2 3.42Å; I95-W97 HydrophobicContact CG2-CE3 4.44Å; I95-W97 HydrophobicContact CG2-CG 4.4Å; I95-W97 HydrophobicContact CG2-CH2 4.09Å; I95-W97 HydrophobicContact CG2-CZ2 3.53Å; W97-W104 HydrophobicContact CB-CE3 4.01Å; W97-Y105 CarbonylContact C-O 3.48Å; W97-Y105 WeakPolarHBondContact CA-O 3.37Å; W97-E106 HydrophobicContact CE3-CG 3.9Å; W97-E106 HydrophobicContact CH2-CG 3.69Å; W97-E106 HydrophobicContact CZ3-CB 4.44Å; W97-E106 HydrophobicContact CZ3-CG 3.33Å |
| 98 | M | 93.9 | Very high | 93.2 | Very high | 65 Ų | 65 | 51.6 Ų | 51.6 | 32% | 0.32 | 26% | 0.255 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 146.1 | 175.3 | 68.1 | 176.3 | -65.6 | 0 | 0 | 111.2 | W104 Y105 E107 | M98-W104 CarbonylContact O-C 3.56Å; M98-W104 WeakPolarHBondContact O-CA 3.33Å; M98-Y105 PolarHBondContact N-O 3.38Å; M98-Y105 PolarHBondContact O-N 2.72Å; M98-E107 HydrophobicContact CB-CB 4.19Å; M98-E107 HydrophobicContact CG-CB 3.96Å; M98-E107 HydrophobicContact CG-CG 4.39Å; M98-E107 HydrophobicContact SD-CB 4.02Å; M98-E107 HydrophobicContact SD-CG 3.86Å |
| 99 | L | 91.9 | Very high | 93.1 | Very high | 50 Ų | 50 | 56.4 Ų | 56.4 | 26% | 0.262 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.6 | 116.5 | 174 | -175.3 | 70.7 | 0 | 0 | 0 | 110 | W104 | L99-W104 HydrophobicContact CB-CD2 4.23Å; L99-W104 HydrophobicContact CB-CE3 4.18Å; L99-W104 HydrophobicContact CB-CH2 4.18Å; L99-W104 HydrophobicContact CB-CZ2 4.23Å; L99-W104 HydrophobicContact CB-CZ3 4.16Å; L99-W104 HydrophobicContact CD1-CD2 4.15Å; L99-W104 HydrophobicContact CD1-CG 4.17Å; L99-W104 HydrophobicContact CD1-CZ2 4.46Å |
| 100 | Y | 89.8 | Confident | 93 | Very high | 126 Ų | 126 | 59.8 Ų | 59.8 | 49% | 0.494 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 128.1 | 176.6 | -176.3 | -111.6 | 0 | 0 | 0 | 110.3 | G102 A103 Y105 | Y100-G102 PolarHBondContact O-N 2.88Å; Y100-A103 PolarHBondContact N-O 3.39Å; Y100-A103 PolarHBondContact O-N 3.48Å; Y100-A103 VanDerWaalsContact O-N 3.07Å; Y100-Y105 HydrophobicContact CD1-CE2 4.37Å; Y100-Y105 WeakPolarHBondContact O-CE2 3.44Å |
| 101 | K | 89.5 | Confident | 92.9 | Very high | 179 Ų | 179 | 59.2 Ų | 59.2 | 78% | 0.778 | 30% | 0.297 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.2 | 34.9 | -180 | -63.7 | -177.2 | 175.7 | 178.8 | 0 | 114.7 | ||
| 102 | G | 86.6 | Confident | 92.6 | Very high | 49 Ų | 49 | 57.4 Ų | 57.4 | 51% | 0.505 | 28% | 0.283 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 85.9 | 2.3 | 176.2 | 0 | 0 | 0 | 0 | 0 | 115.8 | M62 Y100 | M62-G102 WeakPolarHBondContact CE-O 2.96Å; Y100-G102 PolarHBondContact O-N 2.88Å |
| 103 | A | 91 | Very high | 92.3 | Very high | 24 Ų | 24 | 63.4 Ų | 63.4 | 20% | 0.198 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 149.8 | 173.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | Y100 Y105 | Y100-A103 PolarHBondContact N-O 3.39Å; Y100-A103 PolarHBondContact O-N 3.48Å; Y100-A103 VanDerWaalsContact O-N 3.07Å; A103-Y105 HydrophobicContact CB-CE2 3.75Å; A103-Y105 VanDerWaalsContact O-CD2 3.24Å; A103-Y105 WeakPolarHBondContact O-CD2 3.35Å; A103-Y105 WeakPolarHBondContact O-CE2 3.36Å |
| 104 | W | 93.6 | Very high | 91.9 | Very high | 7 Ų | 7 | 69.9 Ų | 69.9 | 3% | 0.027 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.2 | 135.8 | 176.1 | -68.8 | 91.5 | 0 | 0 | 0 | 110.9 | Y28 Q64 L66 W78 R83 I85 W97 M98 L99 | Y28-W104 HydrophobicContact CD2-CZ2 4.32Å; Y28-W104 HydrophobicContact CG-CZ2 4.36Å; Q64-W104 PolarHBondContact NE2-O 2.91Å; L66-W104 HydrophobicContact CD1-CB 4.28Å; L66-W104 HydrophobicContact CD2-CB 3.56Å; L66-W104 HydrophobicContact CD2-CG 4.42Å; W78-W104 HydrophobicContact CH2-CH2 4.39Å; W78-W104 HydrophobicContact CH2-CZ2 4.38Å; W78-W104 AromaticContact CZ3-CH2 3.96Å; W78-W104 HydrophobicContact CZ3-CH2 3.96Å; W78-W104 HydrophobicContact CZ3-CZ2 4.35Å; R83-W104 WeakPolarHBondContact O-CH2 3.32Å; R83-W104 WeakPolarHBondContact O-CZ3 3.44Å; I85-W104 HydrophobicContact CB-CZ3 4.4Å; I85-W104 HydrophobicContact CD1-CD2 3.96Å; I85-W104 HydrophobicContact CD1-CE3 3.82Å; I85-W104 HydrophobicContact CD1-CH2 3.67Å; I85-W104 HydrophobicContact CD1-CZ2 3.8Å; I85-W104 HydrophobicContact CD1-CZ3 3.68Å; I85-W104 HydrophobicContact CG1-CE3 4.26Å; I85-W104 HydrophobicContact CG1-CH2 3.79Å; I85-W104 HydrophobicContact CG1-CZ2 4.39Å; I85-W104 HydrophobicContact CG1-CZ3 3.71Å; W97-W104 HydrophobicContact CB-CE3 4.01Å; M98-W104 CarbonylContact O-C 3.56Å; M98-W104 WeakPolarHBondContact O-CA 3.33Å; L99-W104 HydrophobicContact CB-CD2 4.23Å; L99-W104 HydrophobicContact CB-CE3 4.18Å; L99-W104 HydrophobicContact CB-CH2 4.18Å; L99-W104 HydrophobicContact CB-CZ2 4.23Å; L99-W104 HydrophobicContact CB-CZ3 4.16Å; L99-W104 HydrophobicContact CD1-CD2 4.15Å; L99-W104 HydrophobicContact CD1-CG 4.17Å; L99-W104 HydrophobicContact CD1-CZ2 4.46Å |
| 105 | Y | 92.6 | Very high | 91.7 | Very high | 122 Ų | 122 | 70.4 Ų | 70.4 | 48% | 0.478 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 154.6 | -178.9 | -65.8 | -86 | 0 | 0 | 0 | 111.4 | W97 M98 Y100 A103 E107 | W97-Y105 CarbonylContact C-O 3.48Å; W97-Y105 WeakPolarHBondContact CA-O 3.37Å; M98-Y105 PolarHBondContact N-O 3.38Å; M98-Y105 PolarHBondContact O-N 2.72Å; Y100-Y105 HydrophobicContact CD1-CE2 4.37Å; Y100-Y105 WeakPolarHBondContact O-CE2 3.44Å; A103-Y105 HydrophobicContact CB-CE2 3.75Å; A103-Y105 VanDerWaalsContact O-CD2 3.24Å; A103-Y105 WeakPolarHBondContact O-CD2 3.35Å; A103-Y105 WeakPolarHBondContact O-CE2 3.36Å; Y105-E107 PolarHBondContact O-N 2.94Å |
| 106 | E | 94.7 | Very high | 91.6 | Very high | 90 Ų | 90 | 71.2 Ų | 71.2 | 42% | 0.421 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.6 | 124.9 | 171.1 | -56.8 | 179.6 | 159.4 | 0 | 0 | 110.2 | G68 I95 W97 | G68-E106 WeakPolarHBondContact CA-OE1 3.48Å; I95-E106 HydrophobicContact CG2-CB 4.29Å; I95-E106 HydrophobicContact CG2-CG 3.99Å; W97-E106 HydrophobicContact CE3-CG 3.9Å; W97-E106 HydrophobicContact CH2-CG 3.69Å; W97-E106 HydrophobicContact CZ3-CB 4.44Å; W97-E106 HydrophobicContact CZ3-CG 3.33Å |
| 107 | E | 93.1 | Very high | 91.5 | Very high | 76 Ų | 76 | 70.5 Ų | 70.5 | 36% | 0.355 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104 | -47.1 | 174.8 | -172.3 | -171.6 | 178.6 | 0 | 0 | 110.9 | K84 V96 M98 Y105 | K84-E107 VanDerWaalsContact CD-OE2 3.25Å; K84-E107 WeakPolarHBondContact CD-OE2 3.38Å; K84-E107 WeakPolarHBondContact CE-OE2 3.33Å; K84-E107 IonicContact NZ-OE1 3.75Å; K84-E107 PolarHBondContact NZ-OE1 3.35Å; K84-E107 IonicContact NZ-OE2 2.69Å; K84-E107 PolarHBondContact NZ-OE2 3.16Å; V96-E107 PolarHBondContact O-N 3.16Å; M98-E107 HydrophobicContact CB-CB 4.19Å; M98-E107 HydrophobicContact CG-CB 3.96Å; M98-E107 HydrophobicContact CG-CG 4.39Å; M98-E107 HydrophobicContact SD-CB 4.02Å; M98-E107 HydrophobicContact SD-CG 3.86Å; Y105-E107 PolarHBondContact O-N 2.94Å |
| 108 | M | 93.2 | Very high | 91.4 | Very high | 68 Ų | 68 | 74.1 Ų | 74.1 | 34% | 0.335 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.2 | 144.8 | -177.2 | -58.4 | -176.3 | 71 | 0 | 0 | 110.8 | I95 V96 | I95-M108 WeakPolarHBondContact CA-O 3.39Å; V96-M108 HydrophobicContact CB-CB 4.02Å; V96-M108 HydrophobicContact CG2-CB 4.14Å; V96-M108 PolarHBondContact N-O 2.99Å; V96-M108 PolarHBondContact O-N 3.28Å |
| 109 | I | 93.6 | Very high | 91.4 | Very high | 100 Ų | 100 | 72.2 Ų | 72.2 | 51% | 0.513 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 132.6 | 176 | -58.2 | 177.3 | 0 | 0 | 0 | 108.2 | L93 I94 I95 | L93-I109 HydrophobicContact CD1-CG2 3.46Å; L93-I109 VanDerWaalsContact CD1-CG2 3.46Å; I94-I109 WeakPolarHBondContact O-CA 3.42Å; I95-I109 HydrophobicContact CG1-CG1 4.37Å; I95-I109 HydrophobicContact CG2-CG1 4.37Å |
| 110 | N | 92.3 | Very high | 91.6 | Very high | 74 Ų | 74 | 69.8 Ų | 69.8 | 40% | 0.396 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 123.9 | 171.8 | -176.4 | 3.3 | 0 | 0 | 0 | 109.3 | I94 | I94-N110 HydrophobicContact CB-CB 4.38Å; I94-N110 PolarHBondContact N-O 3.47Å; I94-N110 PolarHBondContact O-N 3.39Å |
| 111 | N | 90 | Very high | 91.9 | Very high | 67 Ų | 67 | 66.1 Ų | 66.1 | 36% | 0.358 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 111.2 | 174.6 | -171.5 | -9.1 | 0 | 0 | 0 | 110 | L93 N113 | L93-N111 HydrophobicContact CD1-CB 3.75Å; N111-N113 VanDerWaalsContact CG-OD1 3.23Å; N111-N113 PolarHBondContact ND2-OD1 3.42Å; N111-N113 PolarHBondContact OD1-N 3.38Å; N111-N113 PolarHBondContact OD1-OD1 3.23Å |
| 112 | R | 86.7 | Confident | 92 | Very high | 50 Ų | 50 | 58.2 Ų | 58.2 | 19% | 0.189 | 29% | 0.294 | C | S | . | . | trans | -81.6 | -20.2 | 179.6 | -166.2 | 178.3 | 164.7 | -133.7 | -9.1 | 112.3 | K114 Y133 D135 | R112-K114 HydrophobicContact CG-CB 4.11Å; R112-K114 HydrophobicContact CG-CD 4.24Å; R112-K114 HydrophobicContact CG-CG 4.36Å; R112-K114 WeakPolarHBondContact O-CG 3.41Å; R112-K114 PolarHBondContact O-N 2.97Å; R112-K114 VanDerWaalsContact O-N 3.09Å; R112-Y133 HydrophobicContact CB-CE1 4.3Å; R112-Y133 VanDerWaalsContact NH1-CG 3.33Å; R112-D135 IonicContact CZ-OD1 2.72Å; R112-D135 IonicContact CZ-OD2 3.44Å; R112-D135 VanDerWaalsContact NH1-CG 3.32Å; R112-D135 IonicContact NH1-OD1 3.16Å; R112-D135 PolarHBondContact NH1-OD1 3Å; R112-D135 IonicContact NH1-OD2 3.02Å; R112-D135 PolarHBondContact NH1-OD2 3.32Å; R112-D135 IonicContact NH2-OD1 3.36Å; R112-D135 IonicContact NH2-OD2 2.8Å; R112-D135 PolarHBondContact NH2-OD2 2.65Å | ||
| 113 | N | 85.4 | Confident | 92.3 | Very high | 127 Ų | 127 | 56 Ų | 56 | 68% | 0.679 | 27% | 0.271 | S | S | * | . | S | Bend | trans | 46.3 | 35.2 | -176.5 | -67.8 | -51.8 | 0 | 0 | 0 | 114 | N111 | N111-N113 VanDerWaalsContact CG-OD1 3.23Å; N111-N113 PolarHBondContact ND2-OD1 3.42Å; N111-N113 PolarHBondContact OD1-N 3.38Å; N111-N113 PolarHBondContact OD1-OD1 3.23Å |
| 114 | K | 88.2 | Confident | 92.1 | Very high | 161 Ų | 161 | 55.8 Ų | 55.8 | 70% | 0.7 | 27% | 0.268 | S | S | * | . | S | Bend | trans | -130.9 | -37 | -175.9 | -76.2 | -177.5 | -179.1 | -170.2 | 0 | 114.2 | R112 | R112-K114 HydrophobicContact CG-CB 4.11Å; R112-K114 HydrophobicContact CG-CD 4.24Å; R112-K114 HydrophobicContact CG-CG 4.36Å; R112-K114 WeakPolarHBondContact O-CG 3.41Å; R112-K114 PolarHBondContact O-N 2.97Å; R112-K114 VanDerWaalsContact O-N 3.09Å |
| 115 | S | 91.6 | Very high | 91.8 | Very high | 16 Ų | 16 | 59.1 Ų | 59.1 | 11% | 0.112 | 29% | 0.286 | C | S | . | . | S | Bend | trans | -158.5 | 151.2 | -171.9 | -173.8 | 0 | 0 | 0 | 0 | 109.9 | E134 D135 | S115-E134 PolarHBondContact OG-N 3.25Å; S115-D135 VanDerWaalsContact CB-CG 3.43Å; S115-D135 WeakPolarHBondContact OG-CB 3.47Å; S115-D135 PolarHBondContact OG-N 3.34Å |
| 116 | S | 92.6 | Very high | 91.7 | Very high | 19 Ų | 19 | 53.4 Ų | 53.4 | 13% | 0.133 | 26% | 0.264 | C | S | . | . | trans | -70.1 | 143.1 | 174.6 | 73.6 | 0 | 0 | 0 | 0 | 110.3 | Q90 K118 Y133 E134 | Q90-S116 VanDerWaalsContact O-CB 3.29Å; Q90-S116 WeakPolarHBondContact O-CB 3.28Å; S116-K118 WeakPolarHBondContact OG-CE 3.43Å; S116-Y133 WeakPolarHBondContact O-CA 3.26Å; S116-E134 PolarHBondContact O-N 2.98Å; S116-E134 PolarHBondContact OG-OE2 3.13Å | ||
| 117 | V | 95 | Very high | 91.7 | Very high | 5 Ų | 5 | 54.6 Ų | 54.6 | 3% | 0.03 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.7 | 123.6 | 171.2 | 177.3 | 0 | 0 | 0 | 0 | 107.4 | I94 M120 I131 Y133 | I94-V117 HydrophobicContact CD1-CG2 3.78Å; I94-V117 HydrophobicContact CG1-CG2 3.87Å; V117-M120 HydrophobicContact CG1-CE 4.15Å; V117-M120 HydrophobicContact CG1-CG 3.57Å; V117-M120 HydrophobicContact CG1-SD 3.91Å; V117-I131 HydrophobicContact CG1-CG2 4.09Å; V117-I131 HydrophobicContact CG2-CG2 4.29Å; V117-Y133 HydrophobicContact CG2-CD1 3.88Å; V117-Y133 HydrophobicContact CG2-CE1 3.5Å |
| 118 | K | 93.8 | Very high | 91.8 | Very high | 82 Ų | 82 | 53.7 Ų | 53.7 | 36% | 0.357 | 26% | 0.263 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | -37.6 | -179.9 | -69.9 | -65.9 | -177.2 | -177.5 | 0 | 112.7 | S116 V132 E134 | S116-K118 WeakPolarHBondContact OG-CE 3.43Å; K118-V132 PolarHBondContact N-O 2.95Å; K118-E134 HydrophobicContact CD-CB 4.39Å; K118-E134 VanDerWaalsContact CE-CB 3.48Å; K118-E134 VanDerWaalsContact CE-CG 3.4Å; K118-E134 WeakPolarHBondContact CE-OE1 3.5Å; K118-E134 VanDerWaalsContact CE-OE2 3.31Å; K118-E134 WeakPolarHBondContact CE-OE2 3.44Å; K118-E134 HydrophobicContact CG-CB 3.91Å; K118-E134 IonicContact NZ-OE1 2.76Å; K118-E134 PolarHBondContact NZ-OE1 3.1Å; K118-E134 IonicContact NZ-OE2 3.21Å; K118-E134 PolarHBondContact NZ-OE2 2.96Å |
| 119 | D | 95 | Very high | 91.9 | Very high | 24 Ų | 24 | 51 Ų | 51 | 13% | 0.128 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.9 | 158.2 | 177.9 | -162.1 | 7.4 | 0 | 0 | 0 | 111.1 | V132 S160 V161 | D119-V132 PolarHBondContact O-N 3.26Å; D119-S160 WeakPolarHBondContact OD2-CA 3.27Å; D119-V161 HydrophobicContact CB-CG1 4.11Å; D119-V161 PolarHBondContact OD2-N 3.05Å |
| 120 | M | 95.7 | Very high | 92.1 | Very high | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.1 | 146 | 176.7 | -62.7 | -179.3 | -74.9 | 0 | 0 | 109.2 | V75 I77 T86 S88 I94 V117 C130 I131 | V75-M120 HydrophobicContact CB-CE 3.88Å; V75-M120 HydrophobicContact CG1-CB 4.42Å; V75-M120 HydrophobicContact CG1-CE 3.72Å; I77-M120 HydrophobicContact CD1-CB 3.49Å; I77-M120 VanDerWaalsContact CD1-CB 3.49Å; I77-M120 HydrophobicContact CG1-CB 4.39Å; I77-M120 VanDerWaalsContact CG2-O 3.23Å; I77-M120 WeakPolarHBondContact CG2-O 3.18Å; T86-M120 HydrophobicContact CG2-CE 4.25Å; T86-M120 HydrophobicContact CG2-SD 4.1Å; S88-M120 WeakPolarHBondContact OG-CE 3.44Å; I94-M120 HydrophobicContact CD1-SD 4.01Å; I94-M120 HydrophobicContact CG1-SD 4.28Å; I94-M120 HydrophobicContact CG2-SD 4.07Å; V117-M120 HydrophobicContact CG1-CE 4.15Å; V117-M120 HydrophobicContact CG1-CG 3.57Å; V117-M120 HydrophobicContact CG1-SD 3.91Å; M120-C130 CarbonylContact C-O 3.56Å; M120-C130 WeakPolarHBondContact CA-O 3.33Å; M120-I131 HydrophobicContact CG-CB 4.26Å; M120-I131 HydrophobicContact CG-CG1 4.11Å; M120-I131 HydrophobicContact CG-CG2 3.98Å; M120-I131 HydrophobicContact SD-CG1 4.23Å; M120-I131 HydrophobicContact SD-CG2 4.3Å |
| 121 | K | 94.9 | Very high | 92.2 | Very high | 49 Ų | 49 | 43.4 Ų | 43.4 | 21% | 0.213 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145 | 148.3 | 172.9 | -63.1 | -71.8 | 175.1 | 136.3 | 0 | 112.4 | I129 C130 V161 E162 W163 | K121-I129 CarbonylContact O-C 3.5Å; K121-I129 WeakPolarHBondContact O-CA 3.44Å; K121-C130 PolarHBondContact N-O 3.5Å; K121-C130 PolarHBondContact O-N 3Å; K121-V161 HydrophobicContact CB-CG1 4.36Å; K121-V161 HydrophobicContact CG-CG1 3.95Å; K121-V161 WeakPolarHBondContact CG-O 3.14Å; K121-E162 VanDerWaalsContact CE-OE2 3.3Å; K121-E162 WeakPolarHBondContact CE-OE2 3.42Å; K121-E162 IonicContact NZ-OE2 2.93Å; K121-E162 PolarHBondContact NZ-OE2 3.06Å; K121-W163 VanDerWaalsContact C-CD1 3.48Å; K121-W163 VanDerWaalsContact C-NE1 3.33Å; K121-W163 VanDerWaalsContact CB-CD1 3.48Å; K121-W163 PolarHBondContact O-NE1 3.13Å |
| 122 | W | 92.4 | Very high | 92.5 | Very high | 12 Ų | 12 | 40.2 Ų | 40.2 | 5% | 0.045 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 141.3 | 169.2 | -71.9 | 97 | 0 | 0 | 0 | 110.9 | I77 N79 G126 R128 I129 V143 W163 K213 | I77-W122 VanDerWaalsContact CD1-CD1 3.44Å; I77-W122 HydrophobicContact CD1-CG 4.4Å; N79-W122 HydrophobicContact CB-CD2 3.73Å; N79-W122 HydrophobicContact CB-CE3 4.19Å; N79-W122 HydrophobicContact CB-CG 4.07Å; N79-W122 HydrophobicContact CB-CH2 4.39Å; N79-W122 HydrophobicContact CB-CZ2 3.95Å; N79-W122 WeakPolarHBondContact ND2-CH2 3.46Å; N79-W122 WeakPolarHBondContact ND2-CZ3 3.39Å; W122-G126 WeakPolarHBondContact CZ3-O 3.31Å; W122-R128 WeakPolarHBondContact CA-O 3.33Å; W122-I129 HydrophobicContact CD2-CB 4.12Å; W122-I129 HydrophobicContact CD2-CG1 4.43Å; W122-I129 HydrophobicContact CE3-CB 3.98Å; W122-I129 HydrophobicContact CH2-CB 4.17Å; W122-I129 HydrophobicContact CH2-CG2 4.45Å; W122-I129 HydrophobicContact CZ2-CB 4.3Å; W122-I129 HydrophobicContact CZ2-CD1 4.05Å; W122-I129 HydrophobicContact CZ3-CB 4Å; W122-V143 HydrophobicContact CH2-CB 4.44Å; W122-V143 HydrophobicContact CH2-CG2 4.19Å; W122-V143 HydrophobicContact CZ3-CB 4.13Å; W122-V143 HydrophobicContact CZ3-CG2 4.18Å; W122-W163 VanDerWaalsContact C-NE1 3.3Å; W122-K213 PolarHBondContact O-NZ 3.46Å |
| 123 | D | 91.9 | Very high | 92.9 | Very high | 4 Ų | 4 | 37.9 Ų | 37.9 | 2% | 0.021 | 18% | 0.184 | C | C | . | . | trans | -65.4 | 166.2 | 171.7 | 69.1 | -17.1 | 0 | 0 | 0 | 111 | D125 G126 Q127 R128 W163 | D123-D125 PolarHBondContact O-N 3.47Å; D123-G126 PolarHBondContact O-N 3.03Å; D123-G126 WeakPolarHBondContact OD1-CA 3.3Å; D123-G126 PolarHBondContact OD1-N 3.02Å; D123-Q127 PolarHBondContact OD1-N 3.37Å; D123-R128 HydrophobicContact CB-CB 4.47Å; D123-R128 PolarHBondContact N-O 3.45Å; D123-R128 PolarHBondContact OD1-N 3.49Å; D123-R128 IonicContact OD2-CZ 2.82Å; D123-R128 IonicContact OD2-NE 2.61Å; D123-R128 PolarHBondContact OD2-NE 3.09Å; D123-R128 IonicContact OD2-NH2 2.67Å; D123-R128 PolarHBondContact OD2-NH2 3.47Å; D123-W163 VanDerWaalsContact CA-CG 3.49Å; D123-W163 HydrophobicContact CB-CD2 3.49Å; D123-W163 VanDerWaalsContact CB-CD2 3.49Å; D123-W163 HydrophobicContact CB-CE3 3.66Å; D123-W163 HydrophobicContact CB-CG 3.92Å; D123-W163 HydrophobicContact CB-CH2 4.26Å; D123-W163 HydrophobicContact CB-CZ2 4.11Å; D123-W163 HydrophobicContact CB-CZ3 4.04Å; D123-W163 VanDerWaalsContact N-CD1 3.26Å | ||
| 124 | S | 87.1 | Confident | 93.2 | Very high | 19 Ų | 19 | 35.6 Ų | 35.6 | 13% | 0.133 | 17% | 0.169 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.2 | -24.6 | 177.1 | 43.7 | 0 | 0 | 0 | 0 | 112.1 | K81 P165 | K81-S124 WeakPolarHBondContact CE-O 3.48Å; K81-S124 PolarHBondContact NZ-O 3.25Å; S124-P165 PolarHBondContact OG-O 3.23Å |
| 125 | D | 87.9 | Confident | 93.4 | Very high | 76 Ų | 76 | 31.4 Ų | 31.4 | 41% | 0.406 | 16% | 0.155 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -89.2 | -2.6 | 176 | -72.3 | -33.7 | 0 | 0 | 0 | 116 | K81 D123 Q127 | K81-D125 WeakPolarHBondContact CD-O 3.44Å; K81-D125 IonicContact NZ-OD1 2.93Å; K81-D125 PolarHBondContact NZ-OD1 3.04Å; D123-D125 PolarHBondContact O-N 3.47Å; D125-Q127 HydrophobicContact CB-CG 4.27Å; D125-Q127 PolarHBondContact O-N 3.42Å |
| 126 | G | 91.7 | Very high | 93.4 | Very high | 2 Ų | 2 | 30.8 Ų | 30.8 | 2% | 0.021 | 15% | 0.151 | C | C | . | . | S | Bend | trans | 57.3 | 13.5 | -178.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | N79 F82 W122 D123 | N79-G126 PolarHBondContact ND2-O 3.45Å; N79-G126 WeakPolarHBondContact OD1-CA 3.47Å; F82-G126 WeakPolarHBondContact CD2-O 3.27Å; F82-G126 WeakPolarHBondContact CE2-O 3.39Å; W122-G126 WeakPolarHBondContact CZ3-O 3.31Å; D123-G126 PolarHBondContact O-N 3.03Å; D123-G126 WeakPolarHBondContact OD1-CA 3.3Å; D123-G126 PolarHBondContact OD1-N 3.02Å |
| 127 | Q | 94 | Very high | 93.5 | Very high | 115 Ų | 115 | 30.1 Ų | 30.1 | 54% | 0.537 | 15% | 0.146 | S | C | . | . | S | Bend | trans | -89.6 | -24.6 | -179.1 | -69.4 | -172.7 | 10.1 | 0 | 0 | 111.5 | D123 D125 S142 V143 | D123-Q127 PolarHBondContact OD1-N 3.37Å; D125-Q127 HydrophobicContact CB-CG 4.27Å; D125-Q127 PolarHBondContact O-N 3.42Å; Q127-S142 CarbonylContact O-C 3.58Å; Q127-S142 VanDerWaalsContact O-CA 3.32Å; Q127-S142 WeakPolarHBondContact O-CA 3.36Å; Q127-V143 PolarHBondContact O-N 3.25Å |
| 128 | R | 94.9 | Very high | 93.5 | Very high | 57 Ų | 57 | 29.9 Ų | 29.9 | 22% | 0.215 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 140.3 | -174.8 | -59.8 | 174.5 | -69.4 | 172.9 | 4 | 110.5 | W122 D123 V140 G141 I148 W163 G167 | W122-R128 WeakPolarHBondContact CA-O 3.33Å; D123-R128 HydrophobicContact CB-CB 4.47Å; D123-R128 PolarHBondContact N-O 3.45Å; D123-R128 PolarHBondContact OD1-N 3.49Å; D123-R128 IonicContact OD2-CZ 2.82Å; D123-R128 IonicContact OD2-NE 2.61Å; D123-R128 PolarHBondContact OD2-NE 3.09Å; D123-R128 IonicContact OD2-NH2 2.67Å; D123-R128 PolarHBondContact OD2-NH2 3.47Å; R128-V140 HydrophobicContact CB-CG1 4.35Å; R128-G141 VanDerWaalsContact CA-O 3.29Å; R128-G141 WeakPolarHBondContact CA-O 3.46Å; R128-I148 HydrophobicContact CB-CD1 4.48Å; R128-I148 HydrophobicContact CG-CD1 3.67Å; R128-W163 HydrophobicContact CB-CH2 3.72Å; R128-W163 HydrophobicContact CB-CZ2 3.7Å; R128-G167 PolarHBondContact NH2-O 3.36Å |
| 129 | I | 95.8 | Very high | 93.5 | Very high | 13 Ų | 13 | 27.1 Ų | 27.1 | 7% | 0.067 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 134.5 | 171.6 | -173.9 | 173.8 | 0 | 0 | 0 | 108.6 | I77 T86 K121 W122 I131 V140 G141 | I77-I129 HydrophobicContact CD1-CD1 3.82Å; I77-I129 HydrophobicContact CD1-CG1 4.23Å; T86-I129 HydrophobicContact CG2-CD1 4.03Å; K121-I129 CarbonylContact O-C 3.5Å; K121-I129 WeakPolarHBondContact O-CA 3.44Å; W122-I129 HydrophobicContact CD2-CB 4.12Å; W122-I129 HydrophobicContact CD2-CG1 4.43Å; W122-I129 HydrophobicContact CE3-CB 3.98Å; W122-I129 HydrophobicContact CH2-CB 4.17Å; W122-I129 HydrophobicContact CH2-CG2 4.45Å; W122-I129 HydrophobicContact CZ2-CB 4.3Å; W122-I129 HydrophobicContact CZ2-CD1 4.05Å; W122-I129 HydrophobicContact CZ3-CB 4Å; I129-I131 HydrophobicContact CD1-CG1 4.24Å; I129-I131 HydrophobicContact CG1-CG1 4.16Å; I129-V140 CarbonylContact O-C 3.54Å; I129-V140 VanDerWaalsContact O-CA 3.24Å; I129-V140 WeakPolarHBondContact O-CA 3.46Å; I129-G141 PolarHBondContact N-O 3.32Å; I129-G141 PolarHBondContact O-N 2.86Å |
| 130 | C | 96.7 | Very high | 93.6 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 132.2 | 167.7 | -169.8 | 0 | 0 | 0 | 0 | 108.8 | M120 K121 I139 V140 V161 W163 L170 | M120-C130 CarbonylContact C-O 3.56Å; M120-C130 WeakPolarHBondContact CA-O 3.33Å; K121-C130 PolarHBondContact N-O 3.5Å; K121-C130 PolarHBondContact O-N 3Å; C130-I139 CarbonylContact C-O 3.54Å; C130-I139 WeakPolarHBondContact CA-O 3.43Å; C130-V140 HydrophobicContact CB-CG2 3.91Å; C130-V161 HydrophobicContact CB-CG2 4.13Å; C130-W163 HydrophobicContact CB-CZ2 4.05Å; C130-L170 HydrophobicContact CB-CD2 4.03Å |
| 131 | I | 95.9 | Very high | 93.6 | Very high | 13 Ų | 13 | 26.5 Ų | 26.5 | 7% | 0.067 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 129.2 | -178 | -55.8 | 167 | 0 | 0 | 0 | 107.9 | I94 V117 M120 I129 Y133 A138 I139 | I94-I131 HydrophobicContact CD1-CD1 3.93Å; I94-I131 HydrophobicContact CD1-CG2 3.77Å; V117-I131 HydrophobicContact CG1-CG2 4.09Å; V117-I131 HydrophobicContact CG2-CG2 4.29Å; M120-I131 HydrophobicContact CG-CB 4.26Å; M120-I131 HydrophobicContact CG-CG1 4.11Å; M120-I131 HydrophobicContact CG-CG2 3.98Å; M120-I131 HydrophobicContact SD-CG1 4.23Å; M120-I131 HydrophobicContact SD-CG2 4.3Å; I129-I131 HydrophobicContact CD1-CG1 4.24Å; I129-I131 HydrophobicContact CG1-CG1 4.16Å; I131-Y133 HydrophobicContact CB-CE2 4.36Å; I131-Y133 HydrophobicContact CG2-CD2 4.31Å; I131-Y133 HydrophobicContact CG2-CE1 4.42Å; I131-Y133 HydrophobicContact CG2-CE2 3.61Å; I131-A138 CarbonylContact O-C 3.54Å; I131-A138 WeakPolarHBondContact O-CA 3.49Å; I131-I139 PolarHBondContact N-O 3.49Å; I131-I139 PolarHBondContact O-N 3.33Å |
| 132 | V | 95.3 | Very high | 93.6 | Very high | 0 Ų | 0 | 25.2 Ų | 25.2 | 0% | 0 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 128.5 | -175.3 | 171 | 0 | 0 | 0 | 0 | 110.9 | K118 D119 A138 L158 V161 F172 | K118-V132 PolarHBondContact N-O 2.95Å; D119-V132 PolarHBondContact O-N 3.26Å; V132-A138 HydrophobicContact CG2-CB 4.4Å; V132-L158 HydrophobicContact CG1-CB 3.15Å; V132-L158 HydrophobicContact CG1-CD1 3.66Å; V132-L158 HydrophobicContact CG1-CG 3.98Å; V132-V161 HydrophobicContact CB-CG1 4.49Å; V132-V161 HydrophobicContact CG2-CB 3.68Å; V132-V161 HydrophobicContact CG2-CG1 3.9Å; V132-V161 HydrophobicContact CG2-CG2 4.14Å; V132-F172 HydrophobicContact CG2-CD1 3.74Å; V132-F172 HydrophobicContact CG2-CE1 3.51Å |
| 133 | Y | 94.9 | Very high | 93.6 | Very high | 1 Ų | 1 | 25.3 Ų | 25.3 | 0% | 0.004 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 150.3 | -177.8 | -62.2 | -90 | 0 | 0 | 0 | 111.4 | R112 S116 V117 I131 D135 G136 A137 I139 | R112-Y133 HydrophobicContact CB-CE1 4.3Å; R112-Y133 VanDerWaalsContact NH1-CG 3.33Å; S116-Y133 WeakPolarHBondContact O-CA 3.26Å; V117-Y133 HydrophobicContact CG2-CD1 3.88Å; V117-Y133 HydrophobicContact CG2-CE1 3.5Å; I131-Y133 HydrophobicContact CB-CE2 4.36Å; I131-Y133 HydrophobicContact CG2-CD2 4.31Å; I131-Y133 HydrophobicContact CG2-CE1 4.42Å; I131-Y133 HydrophobicContact CG2-CE2 3.61Å; Y133-D135 WeakPolarHBondContact CB-OD1 3.22Å; Y133-D135 PolarHBondContact O-N 3.26Å; Y133-G136 PolarHBondContact O-N 3.43Å; Y133-G136 VanDerWaalsContact O-N 3.09Å; Y133-A137 HydrophobicContact CD2-CB 3.96Å; Y133-A137 WeakPolarHBondContact CD2-O 3.24Å; Y133-A137 HydrophobicContact CG-CB 4.41Å; Y133-A137 PolarHBondContact N-O 3.17Å; Y133-I139 HydrophobicContact CE2-CD1 3.74Å; Y133-I139 HydrophobicContact CE2-CG1 4.02Å |
| 134 | E | 92.8 | Very high | 93.6 | Very high | 79 Ų | 79 | 31.1 Ų | 31.1 | 37% | 0.369 | 16% | 0.163 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.5 | -29.6 | 179.5 | -172.6 | 164.9 | -144.7 | 0 | 0 | 113.7 | S115 S116 K118 G136 S157 | S115-E134 PolarHBondContact OG-N 3.25Å; S116-E134 PolarHBondContact O-N 2.98Å; S116-E134 PolarHBondContact OG-OE2 3.13Å; K118-E134 HydrophobicContact CD-CB 4.39Å; K118-E134 VanDerWaalsContact CE-CB 3.48Å; K118-E134 VanDerWaalsContact CE-CG 3.4Å; K118-E134 WeakPolarHBondContact CE-OE1 3.5Å; K118-E134 VanDerWaalsContact CE-OE2 3.31Å; K118-E134 WeakPolarHBondContact CE-OE2 3.44Å; K118-E134 HydrophobicContact CG-CB 3.91Å; K118-E134 IonicContact NZ-OE1 2.76Å; K118-E134 PolarHBondContact NZ-OE1 3.1Å; K118-E134 IonicContact NZ-OE2 3.21Å; K118-E134 PolarHBondContact NZ-OE2 2.96Å; E134-G136 PolarHBondContact O-N 3.05Å; E134-S157 VanDerWaalsContact O-CA 3.3Å; E134-S157 WeakPolarHBondContact O-CA 3.43Å; E134-S157 WeakPolarHBondContact O-CB 3.31Å; E134-S157 PolarHBondContact O-OG 2.96Å |
| 135 | D | 92 | Very high | 93.7 | Very high | 74 Ų | 74 | 32.1 Ų | 32.1 | 40% | 0.396 | 18% | 0.176 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -74.8 | 2.2 | 178.5 | 69.7 | -11.8 | 0 | 0 | 0 | 113.9 | R112 S115 Y133 A137 | R112-D135 IonicContact CZ-OD1 2.72Å; R112-D135 IonicContact CZ-OD2 3.44Å; R112-D135 VanDerWaalsContact NH1-CG 3.32Å; R112-D135 IonicContact NH1-OD1 3.16Å; R112-D135 PolarHBondContact NH1-OD1 3Å; R112-D135 IonicContact NH1-OD2 3.02Å; R112-D135 PolarHBondContact NH1-OD2 3.32Å; R112-D135 IonicContact NH2-OD1 3.36Å; R112-D135 IonicContact NH2-OD2 2.8Å; R112-D135 PolarHBondContact NH2-OD2 2.65Å; S115-D135 VanDerWaalsContact CB-CG 3.43Å; S115-D135 WeakPolarHBondContact OG-CB 3.47Å; S115-D135 PolarHBondContact OG-N 3.34Å; Y133-D135 WeakPolarHBondContact CB-OD1 3.22Å; Y133-D135 PolarHBondContact O-N 3.26Å; D135-A137 WeakPolarHBondContact OD1-CB 3.3Å; D135-A137 PolarHBondContact OD1-N 3.48Å |
| 136 | G | 91.9 | Very high | 94 | Very high | 2 Ų | 2 | 33.7 Ų | 33.7 | 2% | 0.021 | 18% | 0.184 | C | C | . | . | S | Bend | trans | 91.1 | 1.8 | 179.3 | 0 | 0 | 0 | 0 | 0 | 114 | Y133 E134 L153 L158 | Y133-G136 PolarHBondContact O-N 3.43Å; Y133-G136 VanDerWaalsContact O-N 3.09Å; E134-G136 PolarHBondContact O-N 3.05Å; G136-L153 WeakPolarHBondContact O-CB 3.47Å; G136-L153 PolarHBondContact O-N 3.47Å; G136-L158 WeakPolarHBondContact O-CD1 3.37Å |
| 137 | A | 93.7 | Very high | 94.1 | Very high | 5 Ų | 5 | 41.2 Ų | 41.2 | 4% | 0.041 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.8 | 134.8 | 172.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | Y133 D135 K151 E152 | Y133-A137 HydrophobicContact CD2-CB 3.96Å; Y133-A137 WeakPolarHBondContact CD2-O 3.24Å; Y133-A137 HydrophobicContact CG-CB 4.41Å; Y133-A137 PolarHBondContact N-O 3.17Å; D135-A137 WeakPolarHBondContact OD1-CB 3.3Å; D135-A137 PolarHBondContact OD1-N 3.48Å; A137-K151 WeakPolarHBondContact CA-O 3.44Å; A137-E152 HydrophobicContact CB-CG 4.44Å |
| 138 | A | 95.1 | Very high | 94.1 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 131.1 | 167.4 | 0 | 0 | 0 | 0 | 0 | 109 | I131 V132 W149 G150 K151 L153 L158 F172 | I131-A138 CarbonylContact O-C 3.54Å; I131-A138 WeakPolarHBondContact O-CA 3.49Å; V132-A138 HydrophobicContact CG2-CB 4.4Å; A138-W149 HydrophobicContact CB-CH2 4.29Å; A138-W149 HydrophobicContact CB-CZ3 4.08Å; A138-W149 WeakPolarHBondContact O-CZ3 3.4Å; A138-G150 CarbonylContact O-C 3.49Å; A138-G150 WeakPolarHBondContact O-CA 3.3Å; A138-K151 PolarHBondContact N-O 3.04Å; A138-K151 PolarHBondContact O-N 3.37Å; A138-L153 HydrophobicContact CB-CD1 4.24Å; A138-L153 HydrophobicContact CB-CG 4.48Å; A138-L158 HydrophobicContact CB-CD1 4.3Å; A138-F172 HydrophobicContact CB-CE1 3.79Å; A138-F172 HydrophobicContact CB-CZ 3.94Å |
| 139 | I | 95.2 | Very high | 94.2 | Very high | 25 Ų | 25 | 38.7 Ų | 38.7 | 13% | 0.128 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 128.8 | -180 | -58.9 | -177.6 | 0 | 0 | 0 | 108.6 | C130 I131 Y133 R147 | C130-I139 CarbonylContact C-O 3.54Å; C130-I139 WeakPolarHBondContact CA-O 3.43Å; I131-I139 PolarHBondContact N-O 3.49Å; I131-I139 PolarHBondContact O-N 3.33Å; Y133-I139 HydrophobicContact CE2-CD1 3.74Å; Y133-I139 HydrophobicContact CE2-CG1 4.02Å; I139-R147 HydrophobicContact CG2-CG 4.04Å |
| 140 | V | 96.3 | Very high | 94.1 | Very high | 1 Ų | 1 | 39 Ų | 39 | 1% | 0.006 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 124.5 | 168.4 | 175.2 | 0 | 0 | 0 | 0 | 109.1 | R128 I129 C130 I148 W149 W163 L170 | R128-V140 HydrophobicContact CB-CG1 4.35Å; I129-V140 CarbonylContact O-C 3.54Å; I129-V140 VanDerWaalsContact O-CA 3.24Å; I129-V140 WeakPolarHBondContact O-CA 3.46Å; C130-V140 HydrophobicContact CB-CG2 3.91Å; V140-I148 HydrophobicContact CG1-CB 4.23Å; V140-I148 HydrophobicContact CG1-CD1 4.09Å; V140-I148 WeakPolarHBondContact O-CB 3.41Å; V140-I148 PolarHBondContact O-N 2.79Å; V140-W149 HydrophobicContact CB-CD2 4.05Å; V140-W149 HydrophobicContact CB-CG 4.33Å; V140-W149 HydrophobicContact CB-CZ2 4.01Å; V140-W149 HydrophobicContact CG2-CD2 4.11Å; V140-W149 HydrophobicContact CG2-CH2 3.74Å; V140-W149 HydrophobicContact CG2-CZ2 3.17Å; V140-W149 HydrophobicContact CG2-CZ3 4.42Å; V140-W149 PolarHBondContact N-O 3.3Å; V140-W149 PolarHBondContact O-N 3.49Å; V140-W163 HydrophobicContact CG1-CH2 4.25Å; V140-W163 HydrophobicContact CG1-CZ2 4.4Å; V140-L170 HydrophobicContact CG2-CD1 4.11Å |
| 141 | G | 94.9 | Very high | 93.9 | Very high | 9 Ų | 9 | 42.6 Ų | 42.6 | 9% | 0.093 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 159.6 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | R128 I129 N146 | R128-G141 VanDerWaalsContact CA-O 3.29Å; R128-G141 WeakPolarHBondContact CA-O 3.46Å; I129-G141 PolarHBondContact N-O 3.32Å; I129-G141 PolarHBondContact O-N 2.86Å; G141-N146 CarbonylContact C-O 3.53Å; G141-N146 VanDerWaalsContact CA-O 3.24Å; G141-N146 WeakPolarHBondContact CA-O 3.36Å |
| 142 | S | 95 | Very high | 93.6 | Very high | 22 Ų | 22 | 49 Ų | 49 | 15% | 0.154 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.5 | 161.5 | 170 | 75.6 | 0 | 0 | 0 | 0 | 111.3 | Q127 D144 G145 N146 | Q127-S142 CarbonylContact O-C 3.58Å; Q127-S142 VanDerWaalsContact O-CA 3.32Å; Q127-S142 WeakPolarHBondContact O-CA 3.36Å; S142-D144 PolarHBondContact O-N 3.37Å; S142-G145 PolarHBondContact O-N 3.02Å; S142-N146 PolarHBondContact N-O 3.4Å; S142-N146 WeakPolarHBondContact OG-CB 3.36Å; S142-N146 PolarHBondContact OG-N 3.42Å; S142-N146 VanDerWaalsContact OG-N 3.1Å |
| 143 | V | 93.1 | Very high | 93.2 | Very high | 14 Ų | 14 | 49.9 Ų | 49.9 | 9% | 0.085 | 26% | 0.26 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.4 | -25.5 | 175.4 | 67.5 | 0 | 0 | 0 | 0 | 113.8 | F82 W122 Q127 G145 | F82-V143 HydrophobicContact CB-CG2 4.39Å; F82-V143 HydrophobicContact CD1-CG2 4.32Å; F82-V143 HydrophobicContact CD2-CG2 3.87Å; F82-V143 HydrophobicContact CE2-CG1 4.36Å; F82-V143 HydrophobicContact CE2-CG2 4.18Å; F82-V143 HydrophobicContact CG-CG2 3.94Å; F82-V143 HydrophobicContact CZ-CG1 4.23Å; W122-V143 HydrophobicContact CH2-CB 4.44Å; W122-V143 HydrophobicContact CH2-CG2 4.19Å; W122-V143 HydrophobicContact CZ3-CB 4.13Å; W122-V143 HydrophobicContact CZ3-CG2 4.18Å; Q127-V143 PolarHBondContact O-N 3.25Å; V143-G145 VanDerWaalsContact C-N 3.31Å |
| 144 | D | 91.3 | Very high | 92.5 | Very high | 126 Ų | 126 | 59.5 Ų | 59.5 | 67% | 0.674 | 30% | 0.302 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.7 | -3.4 | 176.4 | -51.3 | -47 | 0 | 0 | 0 | 113.3 | S142 | S142-D144 PolarHBondContact O-N 3.37Š|
| 145 | G | 89.9 | Confident | 91.8 | Very high | 40 Ų | 40 | 61.2 Ų | 61.2 | 41% | 0.412 | 31% | 0.306 | S | S | . | . | S | Bend | trans | 97 | 1.8 | 178.3 | 0 | 0 | 0 | 0 | 0 | 116.6 | S142 V143 | S142-G145 PolarHBondContact O-N 3.02Å; V143-G145 VanDerWaalsContact C-N 3.31Å |
| 146 | N | 93.9 | Very high | 91.2 | Very high | 109 Ų | 109 | 59.6 Ų | 59.6 | 58% | 0.583 | 31% | 0.307 | S | S | * | . | trans | -77.4 | 133.9 | 179.1 | -64.5 | -46.1 | 0 | 0 | 0 | 110.5 | G141 S142 I148 | G141-N146 CarbonylContact C-O 3.53Å; G141-N146 VanDerWaalsContact CA-O 3.24Å; G141-N146 WeakPolarHBondContact CA-O 3.36Å; S142-N146 PolarHBondContact N-O 3.4Å; S142-N146 WeakPolarHBondContact OG-CB 3.36Å; S142-N146 PolarHBondContact OG-N 3.42Å; S142-N146 VanDerWaalsContact OG-N 3.1Å; N146-I148 PolarHBondContact O-N 2.68Å | ||
| 147 | R | 94.1 | Very high | 91.2 | Very high | 161 Ų | 161 | 61.7 Ų | 61.7 | 61% | 0.608 | 32% | 0.321 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -73.5 | 116.7 | 172.1 | -179.7 | 173.1 | 174.5 | -174.5 | -5 | 109.7 | I139 G150 | I139-R147 HydrophobicContact CG2-CG 4.04Å; R147-G150 VanDerWaalsContact NH2-C 3.31Å; R147-G150 PolarHBondContact NH2-O 2.86Å |
| 148 | I | 94.4 | Very high | 91.1 | Very high | 90 Ų | 90 | 61.5 Ų | 61.5 | 46% | 0.462 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.1 | -51.7 | 175.7 | -60.3 | 176 | 0 | 0 | 0 | 109.1 | R128 V140 N146 | R128-I148 HydrophobicContact CB-CD1 4.48Å; R128-I148 HydrophobicContact CG-CD1 3.67Å; V140-I148 HydrophobicContact CG1-CB 4.23Å; V140-I148 HydrophobicContact CG1-CD1 4.09Å; V140-I148 WeakPolarHBondContact O-CB 3.41Å; V140-I148 PolarHBondContact O-N 2.79Å; N146-I148 PolarHBondContact O-N 2.68Å |
| 149 | W | 95.7 | Very high | 91.1 | Very high | 28 Ų | 28 | 63.3 Ų | 63.3 | 11% | 0.106 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.8 | 164.3 | 169.9 | 59.3 | -101.5 | 0 | 0 | 0 | 110.4 | A138 V140 K151 L170 F172 S184 | A138-W149 HydrophobicContact CB-CH2 4.29Å; A138-W149 HydrophobicContact CB-CZ3 4.08Å; A138-W149 WeakPolarHBondContact O-CZ3 3.4Å; V140-W149 HydrophobicContact CB-CD2 4.05Å; V140-W149 HydrophobicContact CB-CG 4.33Å; V140-W149 HydrophobicContact CB-CZ2 4.01Å; V140-W149 HydrophobicContact CG2-CD2 4.11Å; V140-W149 HydrophobicContact CG2-CH2 3.74Å; V140-W149 HydrophobicContact CG2-CZ2 3.17Å; V140-W149 HydrophobicContact CG2-CZ3 4.42Å; V140-W149 PolarHBondContact N-O 3.3Å; V140-W149 PolarHBondContact O-N 3.49Å; W149-K151 HydrophobicContact CE3-CB 4.38Å; W149-K151 HydrophobicContact CE3-CD 4.44Å; W149-K151 HydrophobicContact CE3-CG 4.02Å; W149-K151 HydrophobicContact CZ3-CB 4.3Å; W149-K151 HydrophobicContact CZ3-CG 4.36Å; W149-L170 HydrophobicContact CH2-CD1 4.41Å; W149-L170 HydrophobicContact CZ2-CD1 3.78Å; W149-F172 HydrophobicContact CH2-CZ 4.1Å; W149-S184 PolarHBondContact NE1-O 3.32Å |
| 150 | G | 93.7 | Very high | 91 | Very high | 21 Ų | 21 | 62.5 Ų | 62.5 | 22% | 0.216 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.9 | 133.4 | 162.5 | 0 | 0 | 0 | 0 | 0 | 110.2 | A138 R147 | A138-G150 CarbonylContact O-C 3.49Å; A138-G150 WeakPolarHBondContact O-CA 3.3Å; R147-G150 VanDerWaalsContact NH2-C 3.31Å; R147-G150 PolarHBondContact NH2-O 2.86Å |
| 151 | K | 92.8 | Very high | 91 | Very high | 74 Ų | 74 | 62.5 Ų | 62.5 | 32% | 0.322 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 147.5 | -173.1 | -66.2 | -177.4 | -175 | -178 | 0 | 109.3 | A137 A138 W149 L153 C185 G186 N187 | A137-K151 WeakPolarHBondContact CA-O 3.44Å; A138-K151 PolarHBondContact N-O 3.04Å; A138-K151 PolarHBondContact O-N 3.37Å; W149-K151 HydrophobicContact CE3-CB 4.38Å; W149-K151 HydrophobicContact CE3-CD 4.44Å; W149-K151 HydrophobicContact CE3-CG 4.02Å; W149-K151 HydrophobicContact CZ3-CB 4.3Å; W149-K151 HydrophobicContact CZ3-CG 4.36Å; K151-L153 HydrophobicContact CB-CD2 4.47Å; K151-C185 PolarHBondContact NZ-O 3.13Å; K151-G186 VanDerWaalsContact CD-O 3.28Å; K151-G186 WeakPolarHBondContact CD-O 3.3Å; K151-G186 WeakPolarHBondContact CE-O 3.47Å; K151-G186 PolarHBondContact NZ-O 3.48Å; K151-N187 PolarHBondContact NZ-OD1 3.32Å; K151-N187 VanDerWaalsContact NZ-OD1 3.11Å |
| 152 | E | 90.7 | Very high | 91.1 | Very high | 149 Ų | 149 | 62.2 Ų | 62.2 | 70% | 0.696 | 32% | 0.323 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 111.7 | 168 | -71.3 | 178 | -179.6 | 0 | 0 | 108.3 | A137 K154 | A137-E152 HydrophobicContact CB-CG 4.44Å; E152-K154 PolarHBondContact O-N 3.39Å |
| 153 | L | 86.3 | Confident | 91 | Very high | 17 Ų | 17 | 61.1 Ų | 61.1 | 9% | 0.089 | 32% | 0.316 | C | S | . | . | trans | -79.9 | 113.6 | -178.7 | -60.1 | -173.1 | 0 | 0 | 0 | 109 | G136 A138 K151 Y155 L158 F172 F182 | G136-L153 WeakPolarHBondContact O-CB 3.47Å; G136-L153 PolarHBondContact O-N 3.47Å; A138-L153 HydrophobicContact CB-CD1 4.24Å; A138-L153 HydrophobicContact CB-CG 4.48Å; K151-L153 HydrophobicContact CB-CD2 4.47Å; L153-Y155 HydrophobicContact CB-CD2 4.27Å; L153-Y155 PolarHBondContact O-N 3.4Å; L153-L158 HydrophobicContact CB-CD1 4.4Å; L153-L158 HydrophobicContact CB-CD2 4.47Å; L153-L158 HydrophobicContact CD1-CD1 3.85Å; L153-L158 HydrophobicContact CD1-CD2 3.71Å; L153-L158 HydrophobicContact CD1-CG 4.39Å; L153-L158 HydrophobicContact CG-CD1 4.3Å; L153-F172 HydrophobicContact CD1-CB 4.46Å; L153-F172 HydrophobicContact CD1-CD1 4.31Å; L153-F172 HydrophobicContact CD1-CD2 3.95Å; L153-F172 HydrophobicContact CD1-CE2 4.25Å; L153-F172 HydrophobicContact CD1-CG 3.98Å; L153-F182 HydrophobicContact CD1-CE2 4.3Å; L153-F182 HydrophobicContact CD1-CZ 4.11Å; L153-F182 HydrophobicContact CD2-CE1 3.68Å; L153-F182 HydrophobicContact CD2-CZ 3.59Å; L153-F182 HydrophobicContact CG-CZ 4.46Å | ||
| 154 | K | 80.6 | Confident | 91 | Very high | 204 Ų | 204 | 60.6 Ų | 60.6 | 89% | 0.887 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.6 | 5.9 | -175.9 | -63.7 | -175.7 | 178.4 | -179.4 | 0 | 114.6 | E152 G156 | E152-K154 PolarHBondContact O-N 3.39Å; K154-G156 VanDerWaalsContact C-N 3.34Å |
| 155 | Y | 77 | Confident | 90.8 | Very high | 115 Ų | 115 | 55.1 Ų | 55.1 | 45% | 0.451 | 28% | 0.284 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.1 | 1.6 | -172.2 | -53.2 | -75.8 | 0 | 0 | 0 | 113.5 | L153 F182 Y188 | L153-Y155 HydrophobicContact CB-CD2 4.27Å; L153-Y155 PolarHBondContact O-N 3.4Å; Y155-F182 HydrophobicContact CD2-CZ 4.46Å; Y155-F182 HydrophobicContact CE2-CZ 4.03Å; Y155-Y188 HydrophobicContact CE2-CD2 4.27Å |
| 156 | G | 80.3 | Confident | 90.6 | Very high | 40 Ų | 40 | 57.3 Ų | 57.3 | 41% | 0.412 | 29% | 0.286 | S | S | . | . | S | Bend | trans | 114.4 | -173.2 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | K154 L158 | K154-G156 VanDerWaalsContact C-N 3.34Å; G156-L158 PolarHBondContact O-N 3.47Å |
| 157 | S | 90.4 | Very high | 90.4 | Very high | 45 Ų | 45 | 52.1 Ų | 52.1 | 32% | 0.315 | 26% | 0.259 | S | S | . | . | trans | -65.1 | 129.4 | 179.5 | -68 | 0 | 0 | 0 | 0 | 111.3 | E134 L175 | E134-S157 VanDerWaalsContact O-CA 3.3Å; E134-S157 WeakPolarHBondContact O-CA 3.43Å; E134-S157 WeakPolarHBondContact O-CB 3.31Å; E134-S157 PolarHBondContact O-OG 2.96Å; S157-L175 PolarHBondContact O-N 2.94Å | ||
| 158 | L | 93.3 | Very high | 90.3 | Very high | 1 Ų | 1 | 48.5 Ų | 48.5 | 1% | 0.005 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.7 | 146.7 | 178.3 | -60.3 | 163.3 | 0 | 0 | 0 | 110.3 | V132 G136 A138 L153 G156 F172 G173 L174 | V132-L158 HydrophobicContact CG1-CB 3.15Å; V132-L158 HydrophobicContact CG1-CD1 3.66Å; V132-L158 HydrophobicContact CG1-CG 3.98Å; G136-L158 WeakPolarHBondContact O-CD1 3.37Å; A138-L158 HydrophobicContact CB-CD1 4.3Å; L153-L158 HydrophobicContact CB-CD1 4.4Å; L153-L158 HydrophobicContact CB-CD2 4.47Å; L153-L158 HydrophobicContact CD1-CD1 3.85Å; L153-L158 HydrophobicContact CD1-CD2 3.71Å; L153-L158 HydrophobicContact CD1-CG 4.39Å; L153-L158 HydrophobicContact CG-CD1 4.3Å; G156-L158 PolarHBondContact O-N 3.47Å; L158-F172 HydrophobicContact CD2-CB 3.96Å; L158-F172 HydrophobicContact CD2-CD1 4.42Å; L158-F172 HydrophobicContact CD2-CG 4.41Å; L158-G173 WeakPolarHBondContact CA-O 3.49Å; L158-L174 HydrophobicContact CD2-CD2 3.7Å |
| 159 | T | 93.8 | Very high | 90.2 | Very high | 38 Ų | 38 | 45 Ų | 45 | 23% | 0.233 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | -31.9 | -176.1 | 52.3 | 0 | 0 | 0 | 0 | 113.7 | G173 L174 L175 | T159-G173 PolarHBondContact N-O 2.91Å; T159-G173 VanDerWaalsContact OG1-C 3.3Å; T159-G173 PolarHBondContact OG1-O 3.47Å; T159-L174 PolarHBondContact OG1-O 3.33Å; T159-L175 HydrophobicContact CG2-CB 4.1Å; T159-L175 HydrophobicContact CG2-CD1 4.03Å |
| 160 | S | 94.5 | Very high | 90.2 | Very high | 9 Ų | 9 | 43.7 Ų | 43.7 | 6% | 0.063 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.9 | 161.7 | -178.3 | 61.6 | 0 | 0 | 0 | 0 | 113.1 | D119 G173 | D119-S160 WeakPolarHBondContact OD2-CA 3.27Å; S160-G173 PolarHBondContact O-N 3.09Å |
| 161 | V | 95.9 | Very high | 90.3 | Very high | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.8 | 148.9 | 173.8 | 65.6 | 0 | 0 | 0 | 0 | 112 | D119 K121 C130 V132 L170 L171 F172 | D119-V161 HydrophobicContact CB-CG1 4.11Å; D119-V161 PolarHBondContact OD2-N 3.05Å; K121-V161 HydrophobicContact CB-CG1 4.36Å; K121-V161 HydrophobicContact CG-CG1 3.95Å; K121-V161 WeakPolarHBondContact CG-O 3.14Å; C130-V161 HydrophobicContact CB-CG2 4.13Å; V132-V161 HydrophobicContact CB-CG1 4.49Å; V132-V161 HydrophobicContact CG2-CB 3.68Å; V132-V161 HydrophobicContact CG2-CG1 3.9Å; V132-V161 HydrophobicContact CG2-CG2 4.14Å; V161-L170 HydrophobicContact CG2-CD2 4.02Å; V161-L171 VanDerWaalsContact CA-O 3.26Å; V161-L171 WeakPolarHBondContact CA-O 3.4Å; V161-F172 HydrophobicContact CB-CD1 4.25Å; V161-F172 HydrophobicContact CB-CE1 4.29Å; V161-F172 HydrophobicContact CG2-CD1 3.93Å; V161-F172 HydrophobicContact CG2-CE1 3.64Å; V161-F172 HydrophobicContact CG2-CZ 4.37Å |
| 162 | E | 95.7 | Very high | 90.5 | Very high | 3 Ų | 3 | 39.2 Ų | 39.2 | 1% | 0.014 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.5 | 141 | 172.7 | -167.7 | 51 | -106 | 0 | 0 | 113.1 | K121 L171 L209 W211 | K121-E162 VanDerWaalsContact CE-OE2 3.3Å; K121-E162 WeakPolarHBondContact CE-OE2 3.42Å; K121-E162 IonicContact NZ-OE2 2.93Å; K121-E162 PolarHBondContact NZ-OE2 3.06Å; E162-L171 PolarHBondContact N-O 3.36Å; E162-L171 PolarHBondContact O-N 2.96Å; E162-L209 HydrophobicContact CB-CD2 4.17Å; E162-L209 HydrophobicContact CB-CG 3.99Å; E162-W211 HydrophobicContact CG-CB 3.66Å |
| 163 | W | 94.5 | Very high | 90.7 | Very high | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 126.4 | 175.3 | -77.4 | 100.7 | 0 | 0 | 0 | 110.5 | K121 W122 D123 R128 C130 V140 L170 | K121-W163 VanDerWaalsContact C-CD1 3.48Å; K121-W163 VanDerWaalsContact C-NE1 3.33Å; K121-W163 VanDerWaalsContact CB-CD1 3.48Å; K121-W163 PolarHBondContact O-NE1 3.13Å; W122-W163 VanDerWaalsContact C-NE1 3.3Å; D123-W163 VanDerWaalsContact CA-CG 3.49Å; D123-W163 HydrophobicContact CB-CD2 3.49Å; D123-W163 VanDerWaalsContact CB-CD2 3.49Å; D123-W163 HydrophobicContact CB-CE3 3.66Å; D123-W163 HydrophobicContact CB-CG 3.92Å; D123-W163 HydrophobicContact CB-CH2 4.26Å; D123-W163 HydrophobicContact CB-CZ2 4.11Å; D123-W163 HydrophobicContact CB-CZ3 4.04Å; D123-W163 VanDerWaalsContact N-CD1 3.26Å; R128-W163 HydrophobicContact CB-CH2 3.72Å; R128-W163 HydrophobicContact CB-CZ2 3.7Å; C130-W163 HydrophobicContact CB-CZ2 4.05Å; V140-W163 HydrophobicContact CG1-CH2 4.25Å; V140-W163 HydrophobicContact CG1-CZ2 4.4Å; W163-L170 HydrophobicContact CD2-CD2 3.75Å; W163-L170 HydrophobicContact CE3-CD2 3.84Å; W163-L170 HydrophobicContact CE3-CG 4.29Å; W163-L170 HydrophobicContact CG-CD2 4.25Å; W163-L170 HydrophobicContact CH2-CD1 4.44Å; W163-L170 HydrophobicContact CH2-CD2 4.36Å; W163-L170 HydrophobicContact CZ2-CD2 4.29Å; W163-L170 HydrophobicContact CZ3-CD1 4.47Å; W163-L170 HydrophobicContact CZ3-CD2 4.14Å; W163-L170 HydrophobicContact CZ3-CG 4.27Å |
| 164 | S | 91.9 | Very high | 91 | Very high | 2 Ų | 2 | 31.5 Ų | 31.5 | 1% | 0.014 | 17% | 0.167 | C | C | . | . | trans | -60.4 | 152.3 | 170 | 69.1 | 0 | 0 | 0 | 0 | 111.2 | D166 G167 N168 T169 | S164-D166 VanDerWaalsContact CB-OD1 3.31Å; S164-D166 WeakPolarHBondContact CB-OD1 3.47Å; S164-D166 PolarHBondContact O-N 2.93Å; S164-D166 VanDerWaalsContact O-N 3.14Å; S164-D166 PolarHBondContact OG-OD1 3.08Å; S164-G167 WeakPolarHBondContact O-CA 3.19Å; S164-G167 PolarHBondContact O-N 3.16Å; S164-G167 PolarHBondContact OG-N 2.88Å; S164-N168 PolarHBondContact OG-N 3.42Å; S164-T169 WeakPolarHBondContact CB-O 3.47Å; S164-T169 PolarHBondContact N-O 3.05Å; S164-T169 PolarHBondContact OG-N 3.11Å; S164-T169 PolarHBondContact OG-O 3.07Å | ||
| 165 | P | 86.9 | Confident | 91.5 | Very high | 12 Ų | 12 | 27 Ų | 27 | 8% | 0.078 | 15% | 0.153 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.9 | -35.3 | -175.2 | -31.2 | 38.7 | 0 | 0 | 0 | 114.4 | S124 G167 W211 Y212 K213 | S124-P165 PolarHBondContact OG-O 3.23Å; P165-G167 VanDerWaalsContact C-N 3.34Å; P165-W211 HydrophobicContact CG-CG 4.3Å; P165-Y212 VanDerWaalsContact CG-O 3.27Å; P165-Y212 WeakPolarHBondContact CG-O 3.27Å; P165-K213 WeakPolarHBondContact CB-O 3.31Å |
| 166 | D | 85.9 | Confident | 92.1 | Very high | 85 Ų | 85 | 25.8 Ų | 25.8 | 46% | 0.455 | 16% | 0.157 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85 | -2.7 | 177.2 | 65.9 | -22.7 | 0 | 0 | 0 | 113.7 | S164 N168 | S164-D166 VanDerWaalsContact CB-OD1 3.31Å; S164-D166 WeakPolarHBondContact CB-OD1 3.47Å; S164-D166 PolarHBondContact O-N 2.93Å; S164-D166 VanDerWaalsContact O-N 3.14Å; S164-D166 PolarHBondContact OG-OD1 3.08Å; D166-N168 PolarHBondContact O-N 3.23Å; D166-N168 PolarHBondContact OD2-ND2 3.23Å |
| 167 | G | 89.8 | Confident | 92.6 | Very high | 1 Ų | 1 | 24 Ų | 24 | 1% | 0.01 | 14% | 0.139 | C | C | . | . | S | Bend | trans | 69.1 | 14.5 | 177.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | R128 S164 P165 | R128-G167 PolarHBondContact NH2-O 3.36Å; S164-G167 WeakPolarHBondContact O-CA 3.19Å; S164-G167 PolarHBondContact O-N 3.16Å; S164-G167 PolarHBondContact OG-N 2.88Å; P165-G167 VanDerWaalsContact C-N 3.34Å |
| 168 | N | 91.6 | Very high | 92.7 | Very high | 85 Ų | 85 | 25.4 Ų | 25.4 | 46% | 0.455 | 14% | 0.141 | S | C | . | . | S | Bend | trans | -96.3 | -21.1 | -175.4 | -69 | -37.2 | 0 | 0 | 0 | 113.7 | S164 D166 D183 S184 | S164-N168 PolarHBondContact OG-N 3.42Å; D166-N168 PolarHBondContact O-N 3.23Å; D166-N168 PolarHBondContact OD2-ND2 3.23Å; N168-D183 CarbonylContact O-C 3.58Å; N168-S184 WeakPolarHBondContact O-CB 3.17Å; N168-S184 PolarHBondContact O-N 3Å |
| 169 | T | 93.8 | Very high | 92.8 | Very high | 17 Ų | 17 | 25.4 Ų | 25.4 | 10% | 0.104 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 140.2 | -172.6 | -54.6 | 0 | 0 | 0 | 0 | 110.3 | S164 L171 V181 F182 | S164-T169 WeakPolarHBondContact CB-O 3.47Å; S164-T169 PolarHBondContact N-O 3.05Å; S164-T169 PolarHBondContact OG-N 3.11Å; S164-T169 PolarHBondContact OG-O 3.07Å; T169-L171 HydrophobicContact CG2-CD2 4.45Å; T169-V181 HydrophobicContact CG2-CG1 3.33Å; T169-F182 CarbonylContact C-O 3.59Å; T169-F182 WeakPolarHBondContact CA-O 3.39Å; T169-F182 WeakPolarHBondContact CG2-O 3.47Å |
| 170 | L | 95.3 | Very high | 92.9 | Very high | 0 Ų | 0 | 23.8 Ų | 23.8 | 0% | 0 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 132.7 | 173.6 | -77 | 164.3 | 0 | 0 | 0 | 109.4 | C130 V140 W149 V161 W163 F172 F182 | C130-L170 HydrophobicContact CB-CD2 4.03Å; V140-L170 HydrophobicContact CG2-CD1 4.11Å; W149-L170 HydrophobicContact CH2-CD1 4.41Å; W149-L170 HydrophobicContact CZ2-CD1 3.78Å; V161-L170 HydrophobicContact CG2-CD2 4.02Å; W163-L170 HydrophobicContact CD2-CD2 3.75Å; W163-L170 HydrophobicContact CE3-CD2 3.84Å; W163-L170 HydrophobicContact CE3-CG 4.29Å; W163-L170 HydrophobicContact CG-CD2 4.25Å; W163-L170 HydrophobicContact CH2-CD1 4.44Å; W163-L170 HydrophobicContact CH2-CD2 4.36Å; W163-L170 HydrophobicContact CZ2-CD2 4.29Å; W163-L170 HydrophobicContact CZ3-CD1 4.47Å; W163-L170 HydrophobicContact CZ3-CD2 4.14Å; W163-L170 HydrophobicContact CZ3-CG 4.27Å; L170-F172 HydrophobicContact CB-CE2 3.95Å; L170-F172 HydrophobicContact CB-CZ 4.17Å; L170-F172 HydrophobicContact CD1-CZ 4.24Å; L170-F182 HydrophobicContact CB-CB 4.45Å; L170-F182 PolarHBondContact N-O 2.94Å; L170-F182 PolarHBondContact O-N 2.89Å |
| 171 | L | 95.9 | Very high | 92.9 | Very high | 0 Ų | 0 | 23.3 Ų | 23.3 | 0% | 0 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 130.4 | 171.9 | -55.8 | -178.7 | 0 | 0 | 0 | 108.8 | V161 E162 T169 I179 V181 L209 W211 L226 H241 | V161-L171 VanDerWaalsContact CA-O 3.26Å; V161-L171 WeakPolarHBondContact CA-O 3.4Å; E162-L171 PolarHBondContact N-O 3.36Å; E162-L171 PolarHBondContact O-N 2.96Å; T169-L171 HydrophobicContact CG2-CD2 4.45Å; L171-I179 HydrophobicContact CB-CG2 4.09Å; L171-I179 HydrophobicContact CD2-CG2 4.49Å; L171-V181 HydrophobicContact CD2-CB 4.18Å; L171-V181 HydrophobicContact CD2-CG1 3.93Å; L171-V181 HydrophobicContact CD2-CG2 3.75Å; L171-L209 HydrophobicContact CB-CD2 3.64Å; L171-L209 HydrophobicContact CD1-CD1 4.15Å; L171-L209 HydrophobicContact CD1-CD2 4.4Å; L171-L209 HydrophobicContact CD1-CG 4.45Å; L171-W211 HydrophobicContact CD1-CE3 3.59Å; L171-W211 HydrophobicContact CD1-CH2 4.49Å; L171-W211 HydrophobicContact CD1-CZ3 3.53Å; L171-W211 HydrophobicContact CD2-CZ3 4.16Å; L171-W211 HydrophobicContact CG-CE3 4.12Å; L171-W211 HydrophobicContact CG-CZ3 3.75Å; L171-L226 HydrophobicContact CD1-CD1 3.83Å; L171-L226 HydrophobicContact CD1-CD2 3.91Å; L171-H241 HydrophobicContact CD2-CB 4.11Å |
| 172 | F | 96.2 | Very high | 92.9 | Very high | 0 Ų | 0 | 23.6 Ų | 23.6 | 0% | 0 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 120.5 | 175.1 | -67.4 | -72.3 | 0 | 0 | 0 | 110.4 | V132 A138 W149 L153 L158 V161 L170 I179 C180 F182 | V132-F172 HydrophobicContact CG2-CD1 3.74Å; V132-F172 HydrophobicContact CG2-CE1 3.51Å; A138-F172 HydrophobicContact CB-CE1 3.79Å; A138-F172 HydrophobicContact CB-CZ 3.94Å; W149-F172 HydrophobicContact CH2-CZ 4.1Å; L153-F172 HydrophobicContact CD1-CB 4.46Å; L153-F172 HydrophobicContact CD1-CD1 4.31Å; L153-F172 HydrophobicContact CD1-CD2 3.95Å; L153-F172 HydrophobicContact CD1-CE2 4.25Å; L153-F172 HydrophobicContact CD1-CG 3.98Å; L158-F172 HydrophobicContact CD2-CB 3.96Å; L158-F172 HydrophobicContact CD2-CD1 4.42Å; L158-F172 HydrophobicContact CD2-CG 4.41Å; V161-F172 HydrophobicContact CB-CD1 4.25Å; V161-F172 HydrophobicContact CB-CE1 4.29Å; V161-F172 HydrophobicContact CG2-CD1 3.93Å; V161-F172 HydrophobicContact CG2-CE1 3.64Å; V161-F172 HydrophobicContact CG2-CZ 4.37Å; L170-F172 HydrophobicContact CB-CE2 3.95Å; L170-F172 HydrophobicContact CB-CZ 4.17Å; L170-F172 HydrophobicContact CD1-CZ 4.24Å; F172-I179 WeakPolarHBondContact O-CA 3.4Å; F172-C180 PolarHBondContact N-O 3.47Å; F172-C180 PolarHBondContact O-N 3.16Å; F172-F182 HydrophobicContact CD2-CB 4.3Å; F172-F182 AromaticContact CD2-CD2 3.37Å; F172-F182 HydrophobicContact CD2-CD2 3.37Å; F172-F182 AromaticContact CD2-CE2 3.75Å; F172-F182 HydrophobicContact CD2-CE2 3.75Å; F172-F182 AromaticContact CD2-CG 3.92Å; F172-F182 HydrophobicContact CD2-CG 3.92Å; F172-F182 HydrophobicContact CE2-CB 3.96Å; F172-F182 HydrophobicContact CE2-CD1 4.49Å; F172-F182 AromaticContact CE2-CD2 3.8Å; F172-F182 HydrophobicContact CE2-CD2 3.8Å; F172-F182 HydrophobicContact CE2-CE2 4.37Å; F172-F182 AromaticContact CE2-CG 3.84Å; F172-F182 HydrophobicContact CE2-CG 3.84Å |
| 173 | G | 94.9 | Very high | 92.8 | Very high | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.9 | 136.4 | 170.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | L158 T159 S160 | L158-G173 WeakPolarHBondContact CA-O 3.49Å; T159-G173 PolarHBondContact N-O 2.91Å; T159-G173 VanDerWaalsContact OG1-C 3.3Å; T159-G173 PolarHBondContact OG1-O 3.47Å; S160-G173 PolarHBondContact O-N 3.09Å |
| 174 | L | 93.8 | Very high | 92.7 | Very high | 4 Ų | 4 | 26.6 Ų | 26.6 | 2% | 0.021 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 157.3 | 175 | -58.7 | -179.2 | 0 | 0 | 0 | 111 | L158 T159 T176 G177 E178 | L158-L174 HydrophobicContact CD2-CD2 3.7Å; T159-L174 PolarHBondContact OG1-O 3.33Å; L174-T176 WeakPolarHBondContact CB-OG1 3.44Å; L174-T176 PolarHBondContact O-N 2.81Å; L174-T176 VanDerWaalsContact O-N 3.15Å; L174-G177 PolarHBondContact O-N 3.23Å; L174-E178 WeakPolarHBondContact CB-O 3.44Å; L174-E178 HydrophobicContact CD1-CB 4.19Å; L174-E178 PolarHBondContact N-O 3.13Å |
| 175 | L | 91.2 | Very high | 92.8 | Very high | 111 Ų | 111 | 30.2 Ų | 30.2 | 58% | 0.581 | 17% | 0.171 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.3 | -22.5 | 173.3 | -173.1 | 64.1 | 0 | 0 | 0 | 113.1 | S157 T159 G177 | S157-L175 PolarHBondContact O-N 2.94Å; T159-L175 HydrophobicContact CG2-CB 4.1Å; T159-L175 HydrophobicContact CG2-CD1 4.03Å; L175-G177 PolarHBondContact O-N 3.5Å |
| 176 | T | 89.5 | Confident | 92.9 | Very high | 89 Ų | 89 | 29.8 Ų | 29.8 | 55% | 0.546 | 17% | 0.169 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -72.9 | -7.5 | 175.1 | 54.2 | 0 | 0 | 0 | 0 | 113.8 | L174 E178 | L174-T176 WeakPolarHBondContact CB-OG1 3.44Å; L174-T176 PolarHBondContact O-N 2.81Å; L174-T176 VanDerWaalsContact O-N 3.15Å; T176-E178 VanDerWaalsContact C-N 3.31Å; T176-E178 WeakPolarHBondContact OG1-CG 3.36Å |
| 177 | G | 90.4 | Very high | 93.3 | Very high | 3 Ų | 3 | 29.4 Ų | 29.4 | 3% | 0.031 | 17% | 0.167 | C | C | . | . | S | Bend | trans | 86.4 | 0.1 | -173.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | L174 L175 Y230 | L174-G177 PolarHBondContact O-N 3.23Å; L175-G177 PolarHBondContact O-N 3.5Å; G177-Y230 WeakPolarHBondContact O-CE1 3.27Å; G177-Y230 PolarHBondContact O-OH 3.43Å |
| 178 | E | 92.6 | Very high | 93.5 | Very high | 74 Ų | 74 | 34 Ų | 34 | 35% | 0.346 | 19% | 0.185 | S | C | . | . | trans | -85.1 | 152.8 | 178.6 | -59.8 | -176.4 | 161 | 0 | 0 | 111.8 | L174 T176 K191 | L174-E178 WeakPolarHBondContact CB-O 3.44Å; L174-E178 HydrophobicContact CD1-CB 4.19Å; L174-E178 PolarHBondContact N-O 3.13Å; T176-E178 VanDerWaalsContact C-N 3.31Å; T176-E178 WeakPolarHBondContact OG1-CG 3.36Å; E178-K191 VanDerWaalsContact CD-CE 3.42Å; E178-K191 IonicContact OE1-NZ 3.68Å; E178-K191 PolarHBondContact OE1-NZ 3.42Å; E178-K191 IonicContact OE2-NZ 3.76Å; E178-K191 PolarHBondContact OE2-NZ 2.93Å | ||
| 179 | I | 95.1 | Very high | 93.5 | Very high | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 123 | 178.1 | -63.1 | 166.6 | 0 | 0 | 0 | 109.2 | L171 F172 M192 I206 L209 V228 | L171-I179 HydrophobicContact CB-CG2 4.09Å; L171-I179 HydrophobicContact CD2-CG2 4.49Å; F172-I179 WeakPolarHBondContact O-CA 3.4Å; I179-M192 HydrophobicContact CB-CB 4.19Å; I179-M192 HydrophobicContact CB-CE 3.89Å; I179-M192 HydrophobicContact CD1-CE 3.28Å; I179-M192 HydrophobicContact CG1-CE 4.15Å; I179-M192 HydrophobicContact CG2-CB 4.22Å; I179-M192 HydrophobicContact CG2-CE 3.86Å; I179-M192 PolarHBondContact O-N 2.83Å; I179-I206 HydrophobicContact CD1-CD1 4.08Å; I179-I206 HydrophobicContact CG1-CD1 3.55Å; I179-L209 HydrophobicContact CD1-CD1 3.87Å; I179-V228 HydrophobicContact CD1-CB 4.46Å; I179-V228 HydrophobicContact CD1-CG1 3.53Å; I179-V228 HydrophobicContact CD1-CG2 4.04Å |
| 180 | C | 94.9 | Very high | 93.5 | Very high | 4 Ų | 4 | 36.3 Ų | 36.3 | 3% | 0.027 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 138.2 | 175.6 | -69.3 | 0 | 0 | 0 | 0 | 110.5 | F172 F182 Y188 | F172-C180 PolarHBondContact N-O 3.47Å; F172-C180 PolarHBondContact O-N 3.16Å; C180-F182 HydrophobicContact CB-CD2 4.24Å; C180-F182 HydrophobicContact CB-CE2 3.67Å; C180-Y188 HydrophobicContact CB-CD2 4.37Å; C180-Y188 HydrophobicContact CB-CE2 3.93Å |
| 181 | V | 95.5 | Very high | 93.4 | Very high | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 133 | -177.9 | -170.9 | 0 | 0 | 0 | 0 | 108.9 | T169 L171 L189 N190 M192 | T169-V181 HydrophobicContact CG2-CG1 3.33Å; L171-V181 HydrophobicContact CD2-CB 4.18Å; L171-V181 HydrophobicContact CD2-CG1 3.93Å; L171-V181 HydrophobicContact CD2-CG2 3.75Å; V181-L189 HydrophobicContact CB-CB 4.48Å; V181-L189 HydrophobicContact CG1-CB 4.43Å; V181-L189 HydrophobicContact CG1-CD1 4.15Å; V181-L189 PolarHBondContact O-N 2.63Å; V181-N190 WeakPolarHBondContact CB-OD1 3.45Å; V181-N190 VanDerWaalsContact CG2-OD1 3.23Å; V181-N190 WeakPolarHBondContact CG2-OD1 3.4Å; V181-N190 PolarHBondContact N-O 3.48Å; V181-M192 HydrophobicContact CG2-CB 4.16Å |
| 182 | F | 94.9 | Very high | 93.3 | Very high | 5 Ų | 5 | 40.9 Ų | 40.9 | 2% | 0.022 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 153.2 | 179.7 | -74.9 | -109.5 | 0 | 0 | 0 | 110.4 | L153 Y155 T169 L170 F172 C180 G186 N187 Y188 | L153-F182 HydrophobicContact CD1-CE2 4.3Å; L153-F182 HydrophobicContact CD1-CZ 4.11Å; L153-F182 HydrophobicContact CD2-CE1 3.68Å; L153-F182 HydrophobicContact CD2-CZ 3.59Å; L153-F182 HydrophobicContact CG-CZ 4.46Å; Y155-F182 HydrophobicContact CD2-CZ 4.46Å; Y155-F182 HydrophobicContact CE2-CZ 4.03Å; T169-F182 CarbonylContact C-O 3.59Å; T169-F182 WeakPolarHBondContact CA-O 3.39Å; T169-F182 WeakPolarHBondContact CG2-O 3.47Å; L170-F182 HydrophobicContact CB-CB 4.45Å; L170-F182 PolarHBondContact N-O 2.94Å; L170-F182 PolarHBondContact O-N 2.89Å; F172-F182 HydrophobicContact CD2-CB 4.3Å; F172-F182 AromaticContact CD2-CD2 3.37Å; F172-F182 HydrophobicContact CD2-CD2 3.37Å; F172-F182 AromaticContact CD2-CE2 3.75Å; F172-F182 HydrophobicContact CD2-CE2 3.75Å; F172-F182 AromaticContact CD2-CG 3.92Å; F172-F182 HydrophobicContact CD2-CG 3.92Å; F172-F182 HydrophobicContact CE2-CB 3.96Å; F172-F182 HydrophobicContact CE2-CD1 4.49Å; F172-F182 AromaticContact CE2-CD2 3.8Å; F172-F182 HydrophobicContact CE2-CD2 3.8Å; F172-F182 HydrophobicContact CE2-CE2 4.37Å; F172-F182 AromaticContact CE2-CG 3.84Å; F172-F182 HydrophobicContact CE2-CG 3.84Å; C180-F182 HydrophobicContact CB-CD2 4.24Å; C180-F182 HydrophobicContact CB-CE2 3.67Å; F182-G186 WeakPolarHBondContact CD1-O 3.44Å; F182-N187 CarbonylContact C-O 3.52Å; F182-N187 WeakPolarHBondContact CA-O 3.3Å; F182-N187 WeakPolarHBondContact CB-O 3.48Å; F182-N187 WeakPolarHBondContact CD1-O 3.11Å; F182-Y188 HydrophobicContact CD2-CD2 4.34Å; F182-Y188 HydrophobicContact CE1-CD2 4.3Å; F182-Y188 AromaticContact CE2-CD2 3.74Å; F182-Y188 HydrophobicContact CE2-CD2 3.74Å; F182-Y188 AromaticContact CZ-CD2 3.7Å; F182-Y188 HydrophobicContact CZ-CD2 3.7Å; F182-Y188 HydrophobicContact CZ-CG 4.34Å |
| 183 | D | 94.3 | Very high | 93.1 | Very high | 39 Ų | 39 | 43.9 Ų | 43.9 | 21% | 0.209 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.2 | 167.4 | 166.2 | 71.5 | 18.2 | 0 | 0 | 0 | 111.2 | N168 C185 G186 N187 L189 | N168-D183 CarbonylContact O-C 3.58Å; D183-C185 PolarHBondContact O-N 3.39Å; D183-C185 VanDerWaalsContact O-N 3.1Å; D183-C185 VanDerWaalsContact OD1-C 3.22Å; D183-C185 VanDerWaalsContact OD1-CA 3.27Å; D183-C185 WeakPolarHBondContact OD1-CA 3.29Å; D183-C185 WeakPolarHBondContact OD1-CB 3.44Å; D183-C185 PolarHBondContact OD1-N 2.98Å; D183-G186 PolarHBondContact O-N 2.9Å; D183-G186 PolarHBondContact OD1-N 3.05Å; D183-N187 PolarHBondContact N-O 3.21Å; D183-N187 PolarHBondContact OD1-N 3.28Å; D183-N187 PolarHBondContact OD1-ND2 2.86Å; D183-N187 WeakPolarHBondContact OD2-CB 3.38Å; D183-N187 PolarHBondContact OD2-ND2 3.14Å; D183-L189 HydrophobicContact CB-CD1 4.28Å; D183-L189 HydrophobicContact CB-CD2 4.35Å; D183-L189 HydrophobicContact CB-CG 4.45Å |
| 184 | S | 92.8 | Very high | 92.9 | Very high | 28 Ų | 28 | 45.9 Ų | 45.9 | 20% | 0.196 | 25% | 0.25 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.9 | -15.1 | 177.3 | 62.1 | 0 | 0 | 0 | 0 | 114.4 | W149 N168 G186 | W149-S184 PolarHBondContact NE1-O 3.32Å; N168-S184 WeakPolarHBondContact O-CB 3.17Å; N168-S184 PolarHBondContact O-N 3Å; S184-G186 VanDerWaalsContact C-N 3.34Å |
| 185 | C | 92.7 | Very high | 92.8 | Very high | 77 Ų | 77 | 49.2 Ų | 49.2 | 52% | 0.52 | 26% | 0.262 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.4 | 1.1 | 174.4 | -62.7 | 0 | 0 | 0 | 0 | 112.7 | K151 D183 | K151-C185 PolarHBondContact NZ-O 3.13Å; D183-C185 PolarHBondContact O-N 3.39Å; D183-C185 VanDerWaalsContact O-N 3.1Å; D183-C185 VanDerWaalsContact OD1-C 3.22Å; D183-C185 VanDerWaalsContact OD1-CA 3.27Å; D183-C185 WeakPolarHBondContact OD1-CA 3.29Å; D183-C185 WeakPolarHBondContact OD1-CB 3.44Å; D183-C185 PolarHBondContact OD1-N 2.98Å |
| 186 | G | 90.1 | Very high | 92.7 | Very high | 3 Ų | 3 | 44.4 Ų | 44.4 | 3% | 0.031 | 24% | 0.238 | C | C | . | . | S | Bend | trans | 77.4 | 22.4 | 179 | 0 | 0 | 0 | 0 | 0 | 114 | K151 F182 D183 S184 | K151-G186 VanDerWaalsContact CD-O 3.28Å; K151-G186 WeakPolarHBondContact CD-O 3.3Å; K151-G186 WeakPolarHBondContact CE-O 3.47Å; K151-G186 PolarHBondContact NZ-O 3.48Å; F182-G186 WeakPolarHBondContact CD1-O 3.44Å; D183-G186 PolarHBondContact O-N 2.9Å; D183-G186 PolarHBondContact OD1-N 3.05Å; S184-G186 VanDerWaalsContact C-N 3.34Å |
| 187 | N | 93.4 | Very high | 92.8 | Very high | 78 Ų | 78 | 41.5 Ų | 41.5 | 42% | 0.417 | 22% | 0.219 | S | C | . | . | trans | -87.3 | 136 | 171.5 | -51.2 | -49.8 | 0 | 0 | 0 | 110.3 | K151 F182 D183 L189 | K151-N187 PolarHBondContact NZ-OD1 3.32Å; K151-N187 VanDerWaalsContact NZ-OD1 3.11Å; F182-N187 CarbonylContact C-O 3.52Å; F182-N187 WeakPolarHBondContact CA-O 3.3Å; F182-N187 WeakPolarHBondContact CB-O 3.48Å; F182-N187 WeakPolarHBondContact CD1-O 3.11Å; D183-N187 PolarHBondContact N-O 3.21Å; D183-N187 PolarHBondContact OD1-N 3.28Å; D183-N187 PolarHBondContact OD1-ND2 2.86Å; D183-N187 WeakPolarHBondContact OD2-CB 3.38Å; D183-N187 PolarHBondContact OD2-ND2 3.14Å; N187-L189 PolarHBondContact O-N 2.89Å | ||
| 188 | Y | 93.8 | Very high | 92.5 | Very high | 97 Ų | 97 | 46.5 Ų | 46.5 | 38% | 0.38 | 25% | 0.245 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.2 | 130.3 | 178.4 | 177.3 | -96.6 | 0 | 0 | 0 | 110.2 | Y155 C180 F182 N190 K191 | Y155-Y188 HydrophobicContact CE2-CD2 4.27Å; C180-Y188 HydrophobicContact CB-CD2 4.37Å; C180-Y188 HydrophobicContact CB-CE2 3.93Å; F182-Y188 HydrophobicContact CD2-CD2 4.34Å; F182-Y188 HydrophobicContact CE1-CD2 4.3Å; F182-Y188 AromaticContact CE2-CD2 3.74Å; F182-Y188 HydrophobicContact CE2-CD2 3.74Å; F182-Y188 AromaticContact CZ-CD2 3.7Å; F182-Y188 HydrophobicContact CZ-CD2 3.7Å; F182-Y188 HydrophobicContact CZ-CG 4.34Å; Y188-N190 WeakPolarHBondContact CE2-O 3.4Å; Y188-N190 VanDerWaalsContact OH-C 3.22Å; Y188-K191 PolarHBondContact OH-N 3.3Å |
| 189 | L | 93.6 | Very high | 92 | Very high | 90 Ų | 90 | 50.4 Ų | 50.4 | 47% | 0.471 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | -67.3 | 177.2 | -61.8 | 177.8 | 0 | 0 | 0 | 110.2 | V181 D183 N187 | V181-L189 HydrophobicContact CB-CB 4.48Å; V181-L189 HydrophobicContact CG1-CB 4.43Å; V181-L189 HydrophobicContact CG1-CD1 4.15Å; V181-L189 PolarHBondContact O-N 2.63Å; D183-L189 HydrophobicContact CB-CD1 4.28Å; D183-L189 HydrophobicContact CB-CD2 4.35Å; D183-L189 HydrophobicContact CB-CG 4.45Å; N187-L189 PolarHBondContact O-N 2.89Å |
| 190 | N | 93.5 | Very high | 91.5 | Very high | 61 Ų | 61 | 52.8 Ų | 52.8 | 33% | 0.326 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.7 | 179.8 | -178.7 | 62.5 | -0.1 | 0 | 0 | 0 | 111.5 | V181 Y188 | V181-N190 WeakPolarHBondContact CB-OD1 3.45Å; V181-N190 VanDerWaalsContact CG2-OD1 3.23Å; V181-N190 WeakPolarHBondContact CG2-OD1 3.4Å; V181-N190 PolarHBondContact N-O 3.48Å; Y188-N190 WeakPolarHBondContact CE2-O 3.4Å; Y188-N190 VanDerWaalsContact OH-C 3.22Å |
| 191 | K | 92.6 | Very high | 90.7 | Very high | 92 Ų | 92 | 61.4 Ų | 61.4 | 40% | 0.4 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 132.6 | 170.2 | 178 | -178.1 | 171.7 | -179.9 | 0 | 108.3 | E178 Y188 | E178-K191 VanDerWaalsContact CD-CE 3.42Å; E178-K191 IonicContact OE1-NZ 3.68Å; E178-K191 PolarHBondContact OE1-NZ 3.42Å; E178-K191 IonicContact OE2-NZ 3.76Å; E178-K191 PolarHBondContact OE2-NZ 2.93Å; Y188-K191 PolarHBondContact OH-N 3.3Å |
| 192 | M | 93.1 | Very high | 89.9 | Confident | 4 Ų | 4 | 64.4 Ų | 64.4 | 2% | 0.02 | 35% | 0.351 | C | S | . | . | P | Polyproline II helix | trans | -73.5 | 139.7 | 178.3 | -171.2 | 170.9 | 75 | 0 | 0 | 111.1 | I179 V181 L226 V228 M238 H241 | I179-M192 HydrophobicContact CB-CB 4.19Å; I179-M192 HydrophobicContact CB-CE 3.89Å; I179-M192 HydrophobicContact CD1-CE 3.28Å; I179-M192 HydrophobicContact CG1-CE 4.15Å; I179-M192 HydrophobicContact CG2-CB 4.22Å; I179-M192 HydrophobicContact CG2-CE 3.86Å; I179-M192 PolarHBondContact O-N 2.83Å; V181-M192 HydrophobicContact CG2-CB 4.16Å; M192-L226 HydrophobicContact SD-CD2 3.92Å; M192-V228 HydrophobicContact CE-CG2 3.58Å; M192-M238 HydrophobicContact CE-SD 4.2Å; M192-M238 HydrophobicContact CG-CE 4.39Å; M192-M238 HydrophobicContact CG-SD 4.4Å; M192-M238 HydrophobicContact SD-CE 4.4Å; M192-M238 HydrophobicContact SD-SD 3.84Å; M192-H241 WeakPolarHBondContact CG-O 3.28Å; M192-H241 HydrophobicContact SD-CB 4.03Å |
| 193 | S | 92 | Very high | 89.4 | Confident | 62 Ų | 62 | 69.2 Ų | 69.2 | 43% | 0.434 | 39% | 0.392 | S | S | . | . | P | Polyproline II helix | trans | -72.7 | 131.2 | 178 | -62.9 | 0 | 0 | 0 | 0 | 111.7 | Y195 Q236 | S193-Y195 WeakPolarHBondContact CB-OH 3.29Å; S193-Q236 PolarHBondContact O-NE2 2.94Å |
| 194 | T | 90.3 | Very high | 89.3 | Confident | 43 Ų | 43 | 68.2 Ų | 68.2 | 26% | 0.264 | 39% | 0.387 | S | S | . | . | trans | -113.2 | 104.9 | 179.5 | 55.7 | 0 | 0 | 0 | 0 | 110.2 | Y230 | T194-Y230 WeakPolarHBondContact CG2-OH 3.45Š| ||
| 195 | Y | 91.9 | Very high | 89.3 | Confident | 74 Ų | 74 | 72.7 Ų | 72.7 | 29% | 0.29 | 40% | 0.399 | S | S | . | . | trans | -98.4 | -31.6 | -173.8 | -59.2 | -88.7 | 0 | 0 | 0 | 112.6 | S193 L197 N198 P246 | S193-Y195 WeakPolarHBondContact CB-OH 3.29Å; Y195-L197 PolarHBondContact O-N 3.42Å; Y195-L197 VanDerWaalsContact O-N 3.09Å; Y195-N198 VanDerWaalsContact O-CG 3.25Å; Y195-N198 PolarHBondContact O-N 3.46Å; Y195-N198 PolarHBondContact O-ND2 3.41Å; Y195-P246 HydrophobicContact CD2-CG 3.47Å; Y195-P246 VanDerWaalsContact CD2-CG 3.47Å; Y195-P246 HydrophobicContact CE2-CG 4Å; Y195-P246 HydrophobicContact CG-CG 4.1Å | ||
| 196 | C | 90 | Very high | 89.4 | Confident | 9 Ų | 9 | 69.8 Ų | 69.8 | 6% | 0.061 | 38% | 0.378 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.1 | -9.4 | -176.8 | 62.1 | 0 | 0 | 0 | 0 | 114.7 | Y230 R234 C235 Q236 L248 | C196-Y230 WeakPolarHBondContact SG-CE2 3.2Å; C196-R234 HydrophobicContact CB-CB 4.23Å; C196-C235 WeakPolarHBondContact CB-O 2.96Å; C196-Q236 HydrophobicContact CB-CB 4.05Å; C196-L248 HydrophobicContact CB-CD2 3.99Å |
| 197 | L | 90.4 | Very high | 89.6 | Confident | 28 Ų | 28 | 71.4 Ų | 71.4 | 15% | 0.147 | 39% | 0.387 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -97.8 | 2.6 | 179.6 | -62.7 | 177.6 | 0 | 0 | 0 | 113.5 | Y195 N199 I200 V204 Y230 V232 R234 | Y195-L197 PolarHBondContact O-N 3.42Å; Y195-L197 VanDerWaalsContact O-N 3.09Å; L197-N199 PolarHBondContact O-N 2.9Å; L197-I200 HydrophobicContact CD2-CD1 4.18Å; L197-I200 PolarHBondContact O-N 3.49Å; L197-V204 HydrophobicContact CD1-CG2 3.76Å; L197-V204 HydrophobicContact CD2-CB 4.49Å; L197-V204 HydrophobicContact CD2-CG1 4.27Å; L197-V204 HydrophobicContact CD2-CG2 4.19Å; L197-Y230 HydrophobicContact CD1-CD1 4.12Å; L197-Y230 HydrophobicContact CD1-CD2 4.5Å; L197-Y230 HydrophobicContact CD1-CE1 3.68Å; L197-Y230 HydrophobicContact CD1-CE2 4.1Å; L197-Y230 HydrophobicContact CD2-CD1 4.23Å; L197-Y230 HydrophobicContact CD2-CD2 3.99Å; L197-Y230 HydrophobicContact CD2-CE2 4.34Å; L197-Y230 HydrophobicContact CD2-CG 3.93Å; L197-Y230 HydrophobicContact CG-CD2 4.28Å; L197-Y230 HydrophobicContact CG-CE1 4.45Å; L197-Y230 HydrophobicContact CG-CE2 4.12Å; L197-V232 HydrophobicContact CD2-CG2 4.44Å; L197-R234 HydrophobicContact CD2-CB 4.36Å |
| 198 | N | 84.8 | Confident | 89.6 | Confident | 108 Ų | 108 | 68.2 Ų | 68.2 | 58% | 0.578 | 37% | 0.372 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.9 | 130.9 | 174.8 | -73.5 | -13.2 | 0 | 0 | 0 | 110.1 | Y195 I200 | Y195-N198 VanDerWaalsContact O-CG 3.25Å; Y195-N198 PolarHBondContact O-N 3.46Å; Y195-N198 PolarHBondContact O-ND2 3.41Å; N198-I200 VanDerWaalsContact C-N 3.31Å; N198-I200 PolarHBondContact O-N 3.03Å |
| 199 | N | 82 | Confident | 89.6 | Confident | 156 Ų | 156 | 64 Ų | 64 | 83% | 0.834 | 36% | 0.355 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 70.3 | 11.1 | -176.1 | -48.2 | -36 | 0 | 0 | 0 | 116.5 | L197 | L197-N199 PolarHBondContact O-N 2.9Š|
| 200 | I | 84.9 | Confident | 89.6 | Confident | 50 Ų | 50 | 61.1 Ų | 61.1 | 26% | 0.256 | 34% | 0.34 | S | S | . | . | trans | -97.9 | 122.2 | 169.9 | -66.2 | 173.2 | 0 | 0 | 0 | 109.1 | L197 N198 V204 V232 R234 | L197-I200 HydrophobicContact CD2-CD1 4.18Å; L197-I200 PolarHBondContact O-N 3.49Å; N198-I200 VanDerWaalsContact C-N 3.31Å; N198-I200 PolarHBondContact O-N 3.03Å; I200-V204 HydrophobicContact CG2-CG1 3.86Å; I200-V232 HydrophobicContact CD1-CG2 4.17Å; I200-R234 HydrophobicContact CD1-CG 3.45Å; I200-R234 VanDerWaalsContact CD1-CG 3.45Å | ||
| 201 | H | 77.9 | Confident | 89.6 | Confident | 185 Ų | 185 | 58.8 Ų | 58.8 | 86% | 0.856 | 33% | 0.327 | S | S | * | . | trans | -109.9 | 124.6 | 173.8 | -59.6 | -59.1 | 0 | 0 | 0 | 109 | ||||
| 202 | G | 78.7 | Confident | 89.3 | Confident | 63 Ų | 63 | 56.2 Ų | 56.2 | 65% | 0.649 | 32% | 0.315 | S | S | * | . | S | Bend | trans | 139 | 173.9 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | V204 | G202-V204 PolarHBondContact O-N 3.25Š|
| 203 | A | 85 | Confident | 88.6 | Confident | 107 Ų | 107 | 58.4 Ų | 58.4 | 88% | 0.884 | 32% | 0.324 | S | S | * | . | trans | -72.2 | 124.3 | 172.1 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 204 | V | 91.5 | Very high | 87.3 | Confident | 17 Ų | 17 | 56.2 Ų | 56.2 | 10% | 0.103 | 31% | 0.312 | C | S | . | . | trans | -119 | 146.6 | 172.3 | -67.1 | 0 | 0 | 0 | 0 | 108.5 | L197 I200 G202 Y230 V232 | L197-V204 HydrophobicContact CD1-CG2 3.76Å; L197-V204 HydrophobicContact CD2-CB 4.49Å; L197-V204 HydrophobicContact CD2-CG1 4.27Å; L197-V204 HydrophobicContact CD2-CG2 4.19Å; I200-V204 HydrophobicContact CG2-CG1 3.86Å; G202-V204 PolarHBondContact O-N 3.25Å; V204-Y230 HydrophobicContact CB-CD1 4.33Å; V204-Y230 HydrophobicContact CG2-CD1 4.2Å; V204-Y230 HydrophobicContact CG2-CE1 4.5Å; V204-V232 HydrophobicContact CG1-CG1 3.97Å; V204-V232 HydrophobicContact CG1-CG2 3.89Å | ||
| 205 | R | 92.5 | Very high | 85.7 | Confident | 123 Ų | 123 | 60 Ų | 60 | 46% | 0.464 | 33% | 0.327 | S | S | . | . | trans | -117.1 | 142.7 | 176.8 | 60.4 | 179.5 | 179.9 | 169 | 13 | 110.4 | V207 Y230 D231 | R205-V207 HydrophobicContact CG-CG2 4.5Å; R205-V207 PolarHBondContact O-N 3.37Å; R205-Y230 WeakPolarHBondContact O-CA 3.48Å; R205-D231 HydrophobicContact CG-CB 3.59Å; R205-D231 VanDerWaalsContact CG-OD2 3.31Å; R205-D231 WeakPolarHBondContact CG-OD2 3.37Å; R205-D231 PolarHBondContact N-OD1 3.48Å; R205-D231 VanDerWaalsContact N-OD1 3.16Å; R205-D231 IonicContact NE-OD2 3.16Å; R205-D231 PolarHBondContact NE-OD2 3.47Å; R205-D231 VanDerWaalsContact NE-OD2 3.11Å; R205-D231 PolarHBondContact O-N 3Å; R205-D231 VanDerWaalsContact O-N 3.13Å | ||
| 206 | I | 94.9 | Very high | 83.6 | Confident | 15 Ų | 15 | 61.8 Ų | 61.8 | 8% | 0.077 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.4 | 125.5 | 167.6 | -61.5 | 157.3 | 0 | 0 | 0 | 107.1 | I179 Y230 | I179-I206 HydrophobicContact CD1-CD1 4.08Å; I179-I206 HydrophobicContact CG1-CD1 3.55Å; I206-Y230 HydrophobicContact CG1-CD1 4.23Å; I206-Y230 HydrophobicContact CG1-CE1 3.7Å |
| 207 | V | 94.4 | Very high | 81.1 | Confident | 37 Ų | 37 | 68.6 Ų | 68.6 | 22% | 0.224 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | -38.9 | 176.9 | 171.8 | 0 | 0 | 0 | 0 | 110.6 | R205 C229 D231 I255 T256 | R205-V207 HydrophobicContact CG-CG2 4.5Å; R205-V207 PolarHBondContact O-N 3.37Å; V207-C229 PolarHBondContact N-O 3.32Å; V207-D231 VanDerWaalsContact CG2-CA 3.48Å; V207-D231 HydrophobicContact CG2-CB 3.56Å; V207-I255 HydrophobicContact CB-CG2 4.35Å; V207-I255 HydrophobicContact CG1-CG2 3.89Å; V207-T256 WeakPolarHBondContact CG1-O 3.18Å |
| 208 | S | 93.6 | Very high | 78.6 | Confident | 12 Ų | 12 | 75.7 Ų | 75.7 | 8% | 0.084 | 40% | 0.403 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.5 | 144.2 | 179.6 | 56.5 | 0 | 0 | 0 | 0 | 110.9 | C229 S258 | S208-C229 PolarHBondContact N-O 2.92Å; S208-C229 PolarHBondContact O-N 3.2Å; S208-C229 VanDerWaalsContact O-N 3.08Å; S208-C229 WeakPolarHBondContact OG-CB 3.36Å; S208-S258 WeakPolarHBondContact CB-OG 3.46Å; S208-S258 PolarHBondContact OG-OG 2.8Å |
| 209 | L | 94.7 | Very high | 76.4 | Confident | 7 Ų | 7 | 73.5 Ų | 73.5 | 4% | 0.037 | 41% | 0.406 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 102.5 | 172.6 | -175 | 63.4 | 0 | 0 | 0 | 105.1 | E162 L171 I179 L226 V228 | E162-L209 HydrophobicContact CB-CD2 4.17Å; E162-L209 HydrophobicContact CB-CG 3.99Å; L171-L209 HydrophobicContact CB-CD2 3.64Å; L171-L209 HydrophobicContact CD1-CD1 4.15Å; L171-L209 HydrophobicContact CD1-CD2 4.4Å; L171-L209 HydrophobicContact CD1-CG 4.45Å; I179-L209 HydrophobicContact CD1-CD1 3.87Å; L209-L226 HydrophobicContact CD1-CD1 4.13Å; L209-V228 HydrophobicContact CD1-CG2 3.84Å |
| 210 | D | 93.8 | Very high | 74.3 | Confident | 30 Ų | 30 | 71.6 Ų | 71.6 | 16% | 0.16 | 40% | 0.4 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 122.8 | -172.7 | -169.1 | 19.9 | 0 | 0 | 0 | 110.1 | A227 C259 W260 | D210-A227 PolarHBondContact N-O 3.15Å; D210-A227 PolarHBondContact O-N 3.36Å; D210-C259 WeakPolarHBondContact OD2-CA 3.41Å; D210-W260 PolarHBondContact O-NE1 3.09Å; D210-W260 PolarHBondContact OD2-N 3.45Å |
| 211 | W | 92.4 | Very high | 72.9 | Confident | 13 Ų | 13 | 76.6 Ų | 76.6 | 5% | 0.049 | 42% | 0.416 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 115.7 | -176.9 | -151.3 | -21.1 | 0 | 0 | 0 | 109.4 | E162 P165 L171 K213 S225 L226 N240 H241 | E162-W211 HydrophobicContact CG-CB 3.66Å; P165-W211 HydrophobicContact CG-CG 4.3Å; L171-W211 HydrophobicContact CD1-CE3 3.59Å; L171-W211 HydrophobicContact CD1-CH2 4.49Å; L171-W211 HydrophobicContact CD1-CZ3 3.53Å; L171-W211 HydrophobicContact CD2-CZ3 4.16Å; L171-W211 HydrophobicContact CG-CE3 4.12Å; L171-W211 HydrophobicContact CG-CZ3 3.75Å; W211-K213 PolarHBondContact O-N 3.49Å; W211-K213 VanDerWaalsContact O-N 3.11Å; W211-S225 PolarHBondContact NE1-OG 2.96Å; W211-L226 HydrophobicContact CB-CD1 3.96Å; W211-L226 HydrophobicContact CD2-CB 4.3Å; W211-L226 HydrophobicContact CD2-CD1 3.86Å; W211-L226 HydrophobicContact CD2-CD2 4.49Å; W211-L226 HydrophobicContact CD2-CG 4.45Å; W211-L226 HydrophobicContact CE3-CD1 4.09Å; W211-L226 HydrophobicContact CG-CB 4.2Å; W211-L226 HydrophobicContact CG-CD1 3.83Å; W211-N240 HydrophobicContact CZ2-CB 4.27Å; W211-H241 HydrophobicContact CH2-CB 4.03Å; W211-H241 AromaticContact CH2-ND1 3.56Å |
| 212 | Y | 87.5 | Confident | 72.1 | Confident | 37 Ų | 37 | 73.9 Ų | 73.9 | 15% | 0.145 | 41% | 0.405 | C | S | . | . | trans | -62.3 | 113.6 | 179.1 | 178.3 | -109.8 | 0 | 0 | 0 | 111.7 | P165 G214 S225 E262 D263 H352 | P165-Y212 VanDerWaalsContact CG-O 3.27Å; P165-Y212 WeakPolarHBondContact CG-O 3.27Å; Y212-G214 VanDerWaalsContact C-N 3.33Å; Y212-G214 VanDerWaalsContact CE1-CA 3.44Å; Y212-G214 PolarHBondContact O-N 2.97Å; Y212-S225 WeakPolarHBondContact CB-O 3.32Å; Y212-S225 PolarHBondContact N-O 3.4Å; Y212-E262 WeakPolarHBondContact CE2-O 3.45Å; Y212-E262 PolarHBondContact OH-O 2.84Å; Y212-D263 VanDerWaalsContact CZ-C 3.42Å; Y212-D263 VanDerWaalsContact OH-C 3.28Å; Y212-D263 WeakPolarHBondContact OH-CA 3.42Å; Y212-D263 PolarHBondContact OH-O 3.25Å; Y212-H352 AromaticContact CE1-CE1 3.89Å | ||
| 213 | K | 76.7 | Confident | 71.9 | Confident | 50 Ų | 50 | 73 Ų | 73 | 22% | 0.217 | 39% | 0.385 | C | S | . | . | trans | -71.5 | -15.6 | -170.8 | -66 | -174.6 | 174 | -173.3 | 0 | 115.7 | W122 P165 W211 E215 | W122-K213 PolarHBondContact O-NZ 3.46Å; P165-K213 WeakPolarHBondContact CB-O 3.31Å; W211-K213 PolarHBondContact O-N 3.49Å; W211-K213 VanDerWaalsContact O-N 3.11Å; K213-E215 PolarHBondContact O-N 3.33Å | ||
| 214 | G | 65.4 | Low | 71.9 | Confident | 16 Ų | 16 | 68.6 Ų | 68.6 | 17% | 0.165 | 35% | 0.347 | C | S | . | . | trans | 46.6 | 55.8 | 170.2 | 0 | 0 | 0 | 0 | 0 | 115.6 | Y212 N216 | Y212-G214 VanDerWaalsContact C-N 3.33Å; Y212-G214 VanDerWaalsContact CE1-CA 3.44Å; Y212-G214 PolarHBondContact O-N 2.97Å; G214-N216 PolarHBondContact O-N 3.46Å | ||
| 215 | E | 56.8 | Low | 71.7 | Confident | 123 Ų | 123 | 68.8 Ų | 68.8 | 58% | 0.575 | 35% | 0.35 | S | S | * | . | trans | -66.3 | -4 | -171.4 | -68.9 | -179 | 171.9 | 0 | 0 | 115 | K213 | K213-E215 PolarHBondContact O-N 3.33Š| ||
| 216 | N | 48.2 | Very low | 71.8 | Confident | 112 Ų | 112 | 63 Ų | 63 | 60% | 0.599 | 33% | 0.328 | S | S | * | . | S | Bend | trans | -108.2 | 100.3 | 176.2 | -74 | -30.7 | 0 | 0 | 0 | 110.7 | G214 Y218 | G214-N216 PolarHBondContact O-N 3.46Å; N216-Y218 HydrophobicContact CB-CD2 3.82Å; N216-Y218 HydrophobicContact CB-CE2 3.85Å; N216-Y218 PolarHBondContact O-N 2.92Å |
| 217 | N | 36.6 | Very low | 71.8 | Confident | 152 Ų | 152 | 62.2 Ų | 62.2 | 81% | 0.813 | 32% | 0.324 | S | S | * | . | trans | -61.8 | 67.1 | 177.5 | -81.2 | -25.3 | 0 | 0 | 0 | 113.7 | ||||
| 218 | Y | 38.9 | Very low | 71.9 | Confident | 176 Ų | 176 | 60.5 Ų | 60.5 | 69% | 0.69 | 31% | 0.313 | S | S | * | . | trans | -110.8 | 125.4 | 169 | -60.6 | -71.7 | 0 | 0 | 0 | 109.4 | N216 | N216-Y218 HydrophobicContact CB-CD2 3.82Å; N216-Y218 HydrophobicContact CB-CE2 3.85Å; N216-Y218 PolarHBondContact O-N 2.92Å | ||
| 219 | G | 38 | Very low | 72 | Confident | 62 Ų | 62 | 59.9 Ų | 59.9 | 64% | 0.639 | 31% | 0.309 | S | S | * | . | S | Bend | trans | -59.7 | 165.2 | -169.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||
| 220 | T | 39.1 | Very low | 72.1 | Confident | 117 Ų | 117 | 59.6 Ų | 59.6 | 72% | 0.718 | 31% | 0.308 | S | S | * | . | trans | 81.4 | 67.8 | -179 | 2.8 | 0 | 0 | 0 | 0 | 116.5 | M222 | T220-M222 PolarHBondContact O-N 3.18Š| ||
| 221 | R | 53.8 | Low | 72.1 | Confident | 155 Ų | 155 | 59.3 Ų | 59.3 | 59% | 0.585 | 31% | 0.306 | S | S | * | . | trans | -74.4 | 76.2 | 170.6 | -75.8 | -173.8 | 178.6 | -177.4 | -0 | 112.8 | ||||
| 222 | M | 62.6 | Low | 72.1 | Confident | 127 Ų | 127 | 61.7 Ų | 61.7 | 63% | 0.626 | 32% | 0.322 | S | S | * | . | trans | -108.9 | 7.9 | 170.1 | -68.2 | -91.9 | 91.1 | 0 | 0 | 113.2 | T220 | T220-M222 PolarHBondContact O-N 3.18Š| ||
| 223 | L | 73.8 | Confident | 72.4 | Confident | 46 Ų | 46 | 60 Ų | 60 | 24% | 0.241 | 32% | 0.315 | C | S | . | . | S | Bend | trans | -97.8 | 138.3 | -179 | -63.5 | 172.2 | 0 | 0 | 0 | 110.9 | S225 F289 H352 F354 | L223-S225 PolarHBondContact O-N 3.33Å; L223-F289 HydrophobicContact CD2-CE1 3.8Å; L223-F289 HydrophobicContact CD2-CE2 4.2Å; L223-F289 HydrophobicContact CD2-CZ 3.28Å; L223-H352 HydrophobicContact CD1-CB 4.49Å; L223-F354 HydrophobicContact CD2-CZ 4.04Å |
| 224 | P | 84.1 | Confident | 73.2 | Confident | 13 Ų | 13 | 61.5 Ų | 61.5 | 8% | 0.084 | 32% | 0.32 | C | S | . | . | trans | -56.4 | 127.7 | 170 | -26.3 | 36.5 | 0 | 0 | 0 | 111.3 | L237 M238 V247 P288 | P224-L237 HydrophobicContact CB-CB 3.85Å; P224-M238 CarbonylContact C-O 3.56Å; P224-M238 WeakPolarHBondContact CA-O 3.33Å; P224-V247 HydrophobicContact CG-CG2 4.15Å; P224-P288 WeakPolarHBondContact CB-O 3.47Å; P224-P288 VanDerWaalsContact CG-O 3.3Å; P224-P288 WeakPolarHBondContact CG-O 3.44Å | ||
| 225 | S | 88.8 | Confident | 74.6 | Confident | 22 Ų | 22 | 60.8 Ų | 60.8 | 15% | 0.154 | 31% | 0.312 | C | S | . | . | trans | -131.3 | -19.2 | -172.3 | 72.3 | 0 | 0 | 0 | 0 | 113.8 | W211 Y212 L223 M238 I239 W260 | W211-S225 PolarHBondContact NE1-OG 2.96Å; Y212-S225 WeakPolarHBondContact CB-O 3.32Å; Y212-S225 PolarHBondContact N-O 3.4Å; L223-S225 PolarHBondContact O-N 3.33Å; S225-M238 PolarHBondContact N-O 3.44Å; S225-I239 PolarHBondContact OG-O 3.42Å; S225-W260 PolarHBondContact O-NE1 3.13Å | ||
| 226 | L | 93.1 | Very high | 76.5 | Confident | 0 Ų | 0 | 54.9 Ų | 54.9 | 0% | 0 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 118.8 | 177.3 | 173.9 | 61.8 | 0 | 0 | 0 | 108.8 | L171 M192 L209 W211 V228 L237 M238 H241 | L171-L226 HydrophobicContact CD1-CD1 3.83Å; L171-L226 HydrophobicContact CD1-CD2 3.91Å; M192-L226 HydrophobicContact SD-CD2 3.92Å; L209-L226 HydrophobicContact CD1-CD1 4.13Å; W211-L226 HydrophobicContact CB-CD1 3.96Å; W211-L226 HydrophobicContact CD2-CB 4.3Å; W211-L226 HydrophobicContact CD2-CD1 3.86Å; W211-L226 HydrophobicContact CD2-CD2 4.49Å; W211-L226 HydrophobicContact CD2-CG 4.45Å; W211-L226 HydrophobicContact CE3-CD1 4.09Å; W211-L226 HydrophobicContact CG-CB 4.2Å; W211-L226 HydrophobicContact CG-CD1 3.83Å; L226-V228 HydrophobicContact CG-CG2 4.49Å; L226-L237 CarbonylContact O-C 3.59Å; L226-L237 WeakPolarHBondContact O-CA 3.46Å; L226-M238 HydrophobicContact CB-CB 4.25Å; L226-M238 HydrophobicContact CD2-CB 4.47Å; L226-M238 HydrophobicContact CD2-SD 4.35Å; L226-M238 PolarHBondContact N-O 3.05Å; L226-M238 PolarHBondContact O-N 3.01Å; L226-H241 HydrophobicContact CD2-CB 4.31Å |
| 227 | A | 95.3 | Very high | 78.6 | Confident | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 127.9 | 175 | 0 | 0 | 0 | 0 | 0 | 110.4 | D210 L237 W260 L267 | D210-A227 PolarHBondContact N-O 3.15Å; D210-A227 PolarHBondContact O-N 3.36Å; A227-L237 HydrophobicContact CB-CD2 3.75Å; A227-W260 HydrophobicContact CB-CZ2 4.03Å; A227-L267 HydrophobicContact CB-CD1 4.01Å; A227-L267 HydrophobicContact CB-CD2 3.94Å |
| 228 | V | 96.4 | Very high | 81.3 | Confident | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 117.7 | 171.4 | -174.3 | 0 | 0 | 0 | 0 | 107.8 | I179 M192 L209 L226 Y230 C235 Q236 | I179-V228 HydrophobicContact CD1-CB 4.46Å; I179-V228 HydrophobicContact CD1-CG1 3.53Å; I179-V228 HydrophobicContact CD1-CG2 4.04Å; M192-V228 HydrophobicContact CE-CG2 3.58Å; L209-V228 HydrophobicContact CD1-CG2 3.84Å; L226-V228 HydrophobicContact CG-CG2 4.49Å; V228-Y230 HydrophobicContact CG1-CD2 4.46Å; V228-Y230 HydrophobicContact CG1-CE2 3.67Å; V228-C235 CarbonylContact O-C 3.58Å; V228-C235 WeakPolarHBondContact O-CA 3.27Å; V228-C235 WeakPolarHBondContact O-CB 2.84Å; V228-Q236 HydrophobicContact CB-CG 3.88Å; V228-Q236 HydrophobicContact CG2-CG 4.23Å; V228-Q236 PolarHBondContact N-O 3.42Å; V228-Q236 PolarHBondContact O-N 2.98Å |
| 229 | C | 96.3 | Very high | 83.6 | Confident | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 136.9 | 178.6 | -50.4 | 0 | 0 | 0 | 0 | 111.5 | V207 S208 C235 I255 | V207-C229 PolarHBondContact N-O 3.32Å; S208-C229 PolarHBondContact N-O 2.92Å; S208-C229 PolarHBondContact O-N 3.2Å; S208-C229 VanDerWaalsContact O-N 3.08Å; S208-C229 WeakPolarHBondContact OG-CB 3.36Å; C229-C235 HydrophobicContact CB-CB 4.38Å; C229-C235 PolarHBondContact SG-SG 3.34Å; C229-I255 HydrophobicContact CB-CD1 4.02Å; C229-I255 HydrophobicContact CB-CG2 4.33Å |
| 230 | Y | 96.1 | Very high | 86 | Confident | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 151.6 | 176.5 | -62.6 | -90.8 | 0 | 0 | 0 | 110.6 | G177 T194 C196 L197 V204 R205 I206 V228 V232 G233 R234 I255 | G177-Y230 WeakPolarHBondContact O-CE1 3.27Å; G177-Y230 PolarHBondContact O-OH 3.43Å; T194-Y230 WeakPolarHBondContact CG2-OH 3.45Å; C196-Y230 WeakPolarHBondContact SG-CE2 3.2Å; L197-Y230 HydrophobicContact CD1-CD1 4.12Å; L197-Y230 HydrophobicContact CD1-CD2 4.5Å; L197-Y230 HydrophobicContact CD1-CE1 3.68Å; L197-Y230 HydrophobicContact CD1-CE2 4.1Å; L197-Y230 HydrophobicContact CD2-CD1 4.23Å; L197-Y230 HydrophobicContact CD2-CD2 3.99Å; L197-Y230 HydrophobicContact CD2-CE2 4.34Å; L197-Y230 HydrophobicContact CD2-CG 3.93Å; L197-Y230 HydrophobicContact CG-CD2 4.28Å; L197-Y230 HydrophobicContact CG-CE1 4.45Å; L197-Y230 HydrophobicContact CG-CE2 4.12Å; V204-Y230 HydrophobicContact CB-CD1 4.33Å; V204-Y230 HydrophobicContact CG2-CD1 4.2Å; V204-Y230 HydrophobicContact CG2-CE1 4.5Å; R205-Y230 WeakPolarHBondContact O-CA 3.48Å; I206-Y230 HydrophobicContact CG1-CD1 4.23Å; I206-Y230 HydrophobicContact CG1-CE1 3.7Å; V228-Y230 HydrophobicContact CG1-CD2 4.46Å; V228-Y230 HydrophobicContact CG1-CE2 3.67Å; Y230-V232 PolarHBondContact O-N 3.21Å; Y230-G233 PolarHBondContact O-N 2.87Å; Y230-G233 VanDerWaalsContact O-N 3.1Å; Y230-R234 PolarHBondContact N-O 3.31Å; Y230-I255 WeakPolarHBondContact O-CD1 3.1Å |
| 231 | D | 94.2 | Very high | 88.3 | Confident | 24 Ų | 24 | 32 Ų | 32 | 13% | 0.128 | 15% | 0.154 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.6 | -29.9 | -177.6 | 65.9 | -34.7 | 0 | 0 | 0 | 114.7 | R205 V207 G233 Q254 I255 | R205-D231 HydrophobicContact CG-CB 3.59Å; R205-D231 VanDerWaalsContact CG-OD2 3.31Å; R205-D231 WeakPolarHBondContact CG-OD2 3.37Å; R205-D231 PolarHBondContact N-OD1 3.48Å; R205-D231 VanDerWaalsContact N-OD1 3.16Å; R205-D231 IonicContact NE-OD2 3.16Å; R205-D231 PolarHBondContact NE-OD2 3.47Å; R205-D231 VanDerWaalsContact NE-OD2 3.11Å; R205-D231 PolarHBondContact O-N 3Å; R205-D231 VanDerWaalsContact O-N 3.13Å; V207-D231 VanDerWaalsContact CG2-CA 3.48Å; V207-D231 HydrophobicContact CG2-CB 3.56Å; D231-G233 PolarHBondContact O-N 3.33Å; D231-G233 VanDerWaalsContact O-N 3.09Å; D231-Q254 CarbonylContact O-C 3.57Å; D231-Q254 VanDerWaalsContact O-CA 3.29Å; D231-Q254 WeakPolarHBondContact O-CA 3.33Å; D231-Q254 WeakPolarHBondContact O-CG 2.96Å; D231-I255 PolarHBondContact O-N 3.35Å |
| 232 | V | 93.3 | Very high | 90 | Very high | 64 Ų | 64 | 30.9 Ų | 30.9 | 39% | 0.388 | 16% | 0.155 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70.7 | 7.2 | 176.7 | -67.5 | 0 | 0 | 0 | 0 | 114.6 | L197 I200 V204 Y230 R234 | L197-V232 HydrophobicContact CD2-CG2 4.44Å; I200-V232 HydrophobicContact CD1-CG2 4.17Å; V204-V232 HydrophobicContact CG1-CG1 3.97Å; V204-V232 HydrophobicContact CG1-CG2 3.89Å; Y230-V232 PolarHBondContact O-N 3.21Å; V232-R234 HydrophobicContact CG2-CB 4.37Å; V232-R234 HydrophobicContact CG2-CG 4.01Å |
| 233 | G | 92.6 | Very high | 91.2 | Very high | 0 Ų | 0 | 25.6 Ų | 25.6 | 0% | 0 | 13% | 0.129 | C | C | . | . | S | Bend | trans | 88.2 | 6.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | Y230 D231 T251 I253 | Y230-G233 PolarHBondContact O-N 2.87Å; Y230-G233 VanDerWaalsContact O-N 3.1Å; D231-G233 PolarHBondContact O-N 3.33Å; D231-G233 VanDerWaalsContact O-N 3.09Å; G233-T251 VanDerWaalsContact CA-OG1 3.23Å; G233-T251 WeakPolarHBondContact CA-OG1 3.29Å; G233-T251 PolarHBondContact O-N 3.39Å; G233-T251 PolarHBondContact O-OG1 2.87Å; G233-I253 WeakPolarHBondContact CA-O 3.32Å; G233-I253 PolarHBondContact N-O 2.84Å |
| 234 | R | 94.7 | Very high | 92 | Very high | 83 Ų | 83 | 28.1 Ų | 28.1 | 31% | 0.313 | 15% | 0.149 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 133.7 | 178.2 | -59.4 | -58.6 | 175.8 | 158.6 | -0.3 | 110.6 | C196 L197 I200 Y230 V232 L249 N250 | C196-R234 HydrophobicContact CB-CB 4.23Å; L197-R234 HydrophobicContact CD2-CB 4.36Å; I200-R234 HydrophobicContact CD1-CG 3.45Å; I200-R234 VanDerWaalsContact CD1-CG 3.45Å; Y230-R234 PolarHBondContact N-O 3.31Å; V232-R234 HydrophobicContact CG2-CB 4.37Å; V232-R234 HydrophobicContact CG2-CG 4.01Å; R234-L249 WeakPolarHBondContact CA-O 3.36Å; R234-N250 PolarHBondContact NH1-ND2 2.9Å |
| 235 | C | 95.1 | Very high | 92.2 | Very high | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 153.3 | 170.7 | -38.2 | 0 | 0 | 0 | 0 | 110.5 | C196 V228 C229 L249 I255 | C196-C235 WeakPolarHBondContact CB-O 2.96Å; V228-C235 CarbonylContact O-C 3.58Å; V228-C235 WeakPolarHBondContact O-CA 3.27Å; V228-C235 WeakPolarHBondContact O-CB 2.84Å; C229-C235 HydrophobicContact CB-CB 4.38Å; C229-C235 PolarHBondContact SG-SG 3.34Å; C235-L249 HydrophobicContact CB-CB 3.99Å; C235-L249 HydrophobicContact CB-CD1 4.33Å; C235-L249 PolarHBondContact N-O 3.48Å; C235-L249 PolarHBondContact O-N 3.12Å; C235-I255 WeakPolarHBondContact SG-CD1 3.4Å |
| 236 | Q | 95.3 | Very high | 92.4 | Very high | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 131 | 162.8 | 60 | -177.4 | 37.5 | 0 | 0 | 109.1 | S193 C196 V228 M238 P246 V247 L248 | S193-Q236 PolarHBondContact O-NE2 2.94Å; C196-Q236 HydrophobicContact CB-CB 4.05Å; V228-Q236 HydrophobicContact CB-CG 3.88Å; V228-Q236 HydrophobicContact CG2-CG 4.23Å; V228-Q236 PolarHBondContact N-O 3.42Å; V228-Q236 PolarHBondContact O-N 2.98Å; Q236-M238 HydrophobicContact CG-CG 4.34Å; Q236-M238 HydrophobicContact CG-SD 4.32Å; Q236-M238 PolarHBondContact NE2-SD 3Å; Q236-P246 HydrophobicContact CB-CB 4.37Å; Q236-V247 CarbonylContact C-O 3.56Å; Q236-V247 WeakPolarHBondContact CA-O 3.46Å; Q236-L248 HydrophobicContact CB-CD2 3.87Å |
| 237 | L | 93.7 | Very high | 92.3 | Very high | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 126 | 173.2 | -45 | 179 | 0 | 0 | 0 | 108.2 | P224 L226 A227 P246 V247 L249 W260 L267 P288 | P224-L237 HydrophobicContact CB-CB 3.85Å; L226-L237 CarbonylContact O-C 3.59Å; L226-L237 WeakPolarHBondContact O-CA 3.46Å; A227-L237 HydrophobicContact CB-CD2 3.75Å; L237-P246 CarbonylContact O-C 3.56Å; L237-P246 WeakPolarHBondContact O-CA 3.4Å; L237-P246 WeakPolarHBondContact O-CB 3.41Å; L237-V247 HydrophobicContact CB-CB 4.14Å; L237-V247 PolarHBondContact N-O 3.34Å; L237-V247 PolarHBondContact O-N 3Å; L237-L249 HydrophobicContact CD1-CD1 3.79Å; L237-L249 HydrophobicContact CD2-CD1 4.23Å; L237-L249 HydrophobicContact CG-CD1 3.92Å; L237-W260 HydrophobicContact CD1-CH2 4.49Å; L237-W260 HydrophobicContact CD2-CZ2 4.19Å; L237-L267 HydrophobicContact CD2-CD2 3.61Å; L237-P288 WeakPolarHBondContact CD1-O 3.25Å |
| 238 | M | 91.9 | Very high | 92.3 | Very high | 1 Ų | 1 | 40 Ų | 40 | 1% | 0.005 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 145.8 | -171.8 | -45.2 | -174.6 | 63 | 0 | 0 | 110.1 | M192 P224 S225 L226 Q236 N240 D243 P246 | M192-M238 HydrophobicContact CE-SD 4.2Å; M192-M238 HydrophobicContact CG-CE 4.39Å; M192-M238 HydrophobicContact CG-SD 4.4Å; M192-M238 HydrophobicContact SD-CE 4.4Å; M192-M238 HydrophobicContact SD-SD 3.84Å; P224-M238 CarbonylContact C-O 3.56Å; P224-M238 WeakPolarHBondContact CA-O 3.33Å; S225-M238 PolarHBondContact N-O 3.44Å; L226-M238 HydrophobicContact CB-CB 4.25Å; L226-M238 HydrophobicContact CD2-CB 4.47Å; L226-M238 HydrophobicContact CD2-SD 4.35Å; L226-M238 PolarHBondContact N-O 3.05Å; L226-M238 PolarHBondContact O-N 3.01Å; Q236-M238 HydrophobicContact CG-CG 4.34Å; Q236-M238 HydrophobicContact CG-SD 4.32Å; Q236-M238 PolarHBondContact NE2-SD 3Å; M238-N240 VanDerWaalsContact C-N 3.32Å; M238-N240 VanDerWaalsContact CB-O 3.28Å; M238-N240 WeakPolarHBondContact CB-O 2.99Å; M238-D243 WeakPolarHBondContact CA-OD2 3.34Å; M238-D243 HydrophobicContact CB-CB 3.92Å; M238-D243 HydrophobicContact CE-CB 3.85Å; M238-D243 WeakPolarHBondContact CE-O 2.92Å; M238-P246 HydrophobicContact CB-CB 4.42Å; M238-P246 HydrophobicContact CG-CB 3.76Å |
| 239 | I | 88.2 | Confident | 92.1 | Very high | 43 Ų | 43 | 40.8 Ų | 40.8 | 22% | 0.221 | 22% | 0.215 | C | C | . | . | S | Bend | trans | -63.4 | -43.5 | 172.3 | -61.9 | 172.1 | 0 | 0 | 0 | 109.9 | S225 D243 | S225-I239 PolarHBondContact OG-O 3.42Å; I239-D243 PolarHBondContact N-OD2 3.44Å |
| 240 | N | 87.2 | Confident | 92 | Very high | 63 Ų | 63 | 45.2 Ų | 45.2 | 34% | 0.337 | 24% | 0.239 | S | C | . | . | S | Bend | trans | -152.8 | -178.2 | 175.4 | 61.9 | 37.9 | 0 | 0 | 0 | 109.5 | W211 M238 E242 D243 | W211-N240 HydrophobicContact CZ2-CB 4.27Å; M238-N240 VanDerWaalsContact C-N 3.32Å; M238-N240 VanDerWaalsContact CB-O 3.28Å; M238-N240 WeakPolarHBondContact CB-O 2.99Å; N240-E242 PolarHBondContact O-N 3.37Å; N240-E242 WeakPolarHBondContact OD1-CA 3.18Å; N240-E242 PolarHBondContact OD1-N 2.96Å; N240-D243 WeakPolarHBondContact O-CB 3.44Å; N240-D243 PolarHBondContact O-N 3.17Å; N240-D243 PolarHBondContact OD1-N 3.2Å; N240-D243 VanDerWaalsContact OD1-N 3.08Å |
| 241 | H | 88.8 | Confident | 91.8 | Very high | 31 Ų | 31 | 45.7 Ų | 45.7 | 14% | 0.144 | 24% | 0.242 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.2 | -11 | 180 | 67.6 | -76.5 | 0 | 0 | 0 | 115.2 | L171 M192 W211 L226 | L171-H241 HydrophobicContact CD2-CB 4.11Å; M192-H241 WeakPolarHBondContact CG-O 3.28Å; M192-H241 HydrophobicContact SD-CB 4.03Å; W211-H241 HydrophobicContact CH2-CB 4.03Å; W211-H241 AromaticContact CH2-ND1 3.56Å; L226-H241 HydrophobicContact CD2-CB 4.31Å |
| 242 | E | 88.9 | Confident | 91.6 | Very high | 132 Ų | 132 | 47.3 Ų | 47.3 | 62% | 0.617 | 26% | 0.264 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -106.8 | 7.8 | 179.6 | -56.2 | -172.7 | 146.1 | 0 | 0 | 112.6 | N240 P244 | N240-E242 PolarHBondContact O-N 3.37Å; N240-E242 WeakPolarHBondContact OD1-CA 3.18Å; N240-E242 PolarHBondContact OD1-N 2.96Å; E242-P244 VanDerWaalsContact O-CD 3.3Å; E242-P244 WeakPolarHBondContact O-CD 3.32Å |
| 243 | D | 88.6 | Confident | 91.6 | Very high | 16 Ų | 16 | 44.5 Ų | 44.5 | 9% | 0.086 | 25% | 0.247 | C | C | . | . | trans | -64 | 116.9 | -175.3 | -171.6 | -1.8 | 0 | 0 | 0 | 111.8 | M238 I239 N240 D245 | M238-D243 WeakPolarHBondContact CA-OD2 3.34Å; M238-D243 HydrophobicContact CB-CB 3.92Å; M238-D243 HydrophobicContact CE-CB 3.85Å; M238-D243 WeakPolarHBondContact CE-O 2.92Å; I239-D243 PolarHBondContact N-OD2 3.44Å; N240-D243 WeakPolarHBondContact O-CB 3.44Å; N240-D243 PolarHBondContact O-N 3.17Å; N240-D243 PolarHBondContact OD1-N 3.2Å; N240-D243 VanDerWaalsContact OD1-N 3.08Å; D243-D245 PolarHBondContact OD1-N 3.04Å | ||
| 244 | P | 89.4 | Confident | 91.7 | Very high | 99 Ų | 99 | 48.7 Ų | 48.7 | 64% | 0.643 | 27% | 0.267 | S | S | * | . | S | Bend | trans | -79.4 | -16.2 | 180 | 33.1 | -35.6 | 0 | 0 | 0 | 113.5 | E242 P246 | E242-P244 VanDerWaalsContact O-CD 3.3Å; E242-P244 WeakPolarHBondContact O-CD 3.32Å; P244-P246 VanDerWaalsContact C-CD 3.48Å |
| 245 | D | 89.1 | Confident | 91.8 | Very high | 139 Ų | 139 | 44.8 Ų | 44.8 | 74% | 0.743 | 25% | 0.252 | S | S | * | . | S | Bend | trans | -130.2 | 65.8 | -174.4 | -168.7 | 30.9 | 0 | 0 | 0 | 112.5 | D243 | D243-D245 PolarHBondContact OD1-N 3.04Š|
| 246 | P | 92 | Very high | 91.8 | Very high | 12 Ų | 12 | 46.8 Ų | 46.8 | 8% | 0.078 | 26% | 0.264 | C | S | . | . | P | Polyproline II helix | trans | -78.2 | 151.9 | -176.4 | 33.1 | -36.4 | 0 | 0 | 0 | 112.8 | Y195 Q236 L237 M238 P244 L248 | Y195-P246 HydrophobicContact CD2-CG 3.47Å; Y195-P246 VanDerWaalsContact CD2-CG 3.47Å; Y195-P246 HydrophobicContact CE2-CG 4Å; Y195-P246 HydrophobicContact CG-CG 4.1Å; Q236-P246 HydrophobicContact CB-CB 4.37Å; L237-P246 CarbonylContact O-C 3.56Å; L237-P246 WeakPolarHBondContact O-CA 3.4Å; L237-P246 WeakPolarHBondContact O-CB 3.41Å; M238-P246 HydrophobicContact CB-CB 4.42Å; M238-P246 HydrophobicContact CG-CB 3.76Å; P244-P246 VanDerWaalsContact C-CD 3.48Å; P246-L248 HydrophobicContact CG-CD2 4.03Å; P246-L248 PolarHBondContact O-N 3.2Å |
| 247 | V | 92.1 | Very high | 91.8 | Very high | 41 Ų | 41 | 47.5 Ų | 47.5 | 25% | 0.248 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.6 | 116.9 | 173.9 | 178.4 | 0 | 0 | 0 | 0 | 109.5 | P224 Q236 L237 F289 | P224-V247 HydrophobicContact CG-CG2 4.15Å; Q236-V247 CarbonylContact C-O 3.56Å; Q236-V247 WeakPolarHBondContact CA-O 3.46Å; L237-V247 HydrophobicContact CB-CB 4.14Å; L237-V247 PolarHBondContact N-O 3.34Å; L237-V247 PolarHBondContact O-N 3Å; V247-F289 VanDerWaalsContact CG1-O 3.25Å; V247-F289 WeakPolarHBondContact CG1-O 3.47Å |
| 248 | L | 94.1 | Very high | 91.8 | Very high | 93 Ų | 93 | 48.1 Ų | 48.1 | 49% | 0.487 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 127.1 | -179.1 | -50.4 | -176.5 | 0 | 0 | 0 | 111.1 | C196 Q236 P246 | C196-L248 HydrophobicContact CB-CD2 3.99Å; Q236-L248 HydrophobicContact CB-CD2 3.87Å; P246-L248 HydrophobicContact CG-CD2 4.03Å; P246-L248 PolarHBondContact O-N 3.2Å |
| 249 | L | 92.6 | Very high | 91.9 | Very high | 15 Ų | 15 | 49 Ų | 49 | 8% | 0.079 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 138.5 | -178.8 | -67.7 | 175 | 0 | 0 | 0 | 111.7 | R234 C235 L237 Y286 G290 | R234-L249 WeakPolarHBondContact CA-O 3.36Å; C235-L249 HydrophobicContact CB-CB 3.99Å; C235-L249 HydrophobicContact CB-CD1 4.33Å; C235-L249 PolarHBondContact N-O 3.48Å; C235-L249 PolarHBondContact O-N 3.12Å; L237-L249 HydrophobicContact CD1-CD1 3.79Å; L237-L249 HydrophobicContact CD2-CD1 4.23Å; L237-L249 HydrophobicContact CG-CD1 3.92Å; L249-Y286 HydrophobicContact CD1-CD1 4.3Å; L249-Y286 HydrophobicContact CD1-CG 4.33Å; L249-Y286 HydrophobicContact CD2-CD1 4.2Å; L249-Y286 HydrophobicContact CD2-CE1 4.26Å; L249-G290 WeakPolarHBondContact CD2-O 3.5Å |
| 250 | N | 93.5 | Very high | 92.1 | Very high | 94 Ų | 94 | 47.4 Ų | 47.4 | 50% | 0.503 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 106.5 | 165.1 | -174.3 | 10.6 | 0 | 0 | 0 | 108.9 | R234 | R234-N250 PolarHBondContact NH1-ND2 2.9Å |
| 251 | T | 92.4 | Very high | 92.1 | Very high | 9 Ų | 9 | 44.6 Ų | 44.6 | 6% | 0.055 | 26% | 0.255 | C | S | . | . | trans | -83.6 | -19.9 | -172.1 | 60.4 | 0 | 0 | 0 | 0 | 113.2 | G233 I253 I255 V269 Q284 Y286 | G233-T251 VanDerWaalsContact CA-OG1 3.23Å; G233-T251 WeakPolarHBondContact CA-OG1 3.29Å; G233-T251 PolarHBondContact O-N 3.39Å; G233-T251 PolarHBondContact O-OG1 2.87Å; T251-I253 PolarHBondContact O-N 3.14Å; T251-I253 WeakPolarHBondContact OG1-CG1 3.44Å; T251-I255 HydrophobicContact CG2-CD1 4.23Å; T251-V269 HydrophobicContact CG2-CG1 4.25Å; T251-Q284 PolarHBondContact O-NE2 3.09Å; T251-Q284 PolarHBondContact O-OE1 2.89Å; T251-Y286 HydrophobicContact CG2-CE2 4.05Å | ||
| 252 | G | 91.1 | Very high | 91.7 | Very high | 58 Ų | 58 | 45.8 Ų | 45.8 | 60% | 0.598 | 26% | 0.261 | S | S | * | . | S | Bend | trans | 69.2 | 10.7 | -176.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||
| 253 | I | 93.3 | Very high | 91.1 | Very high | 6 Ų | 6 | 42.6 Ų | 42.6 | 3% | 0.031 | 25% | 0.248 | C | C | . | . | S | Bend | trans | -122.3 | 153.6 | 179.2 | 61.5 | 169.5 | 0 | 0 | 0 | 110.5 | G233 T251 I255 V269 Q273 V282 Q284 | G233-I253 WeakPolarHBondContact CA-O 3.32Å; G233-I253 PolarHBondContact N-O 2.84Å; T251-I253 PolarHBondContact O-N 3.14Å; T251-I253 WeakPolarHBondContact OG1-CG1 3.44Å; I253-I255 HydrophobicContact CG1-CG1 4.17Å; I253-I255 PolarHBondContact O-N 2.73Å; I253-V269 HydrophobicContact CD1-CG1 4.35Å; I253-Q273 HydrophobicContact CG2-CB 3.88Å; I253-Q273 HydrophobicContact CG2-CG 4.15Å; I253-V282 HydrophobicContact CB-CG2 4.48Å; I253-V282 HydrophobicContact CD1-CG2 4.11Å; I253-V282 HydrophobicContact CG2-CG2 3.69Å; I253-Q284 HydrophobicContact CD1-CG 4.45Å |
| 254 | Q | 94.2 | Very high | 90.7 | Very high | 88 Ų | 88 | 42.3 Ų | 42.3 | 41% | 0.411 | 25% | 0.249 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.5 | 105.9 | 168.5 | -171.9 | 177.1 | 4 | 0 | 0 | 108.6 | D231 G271 T272 | D231-Q254 CarbonylContact O-C 3.57Å; D231-Q254 VanDerWaalsContact O-CA 3.29Å; D231-Q254 WeakPolarHBondContact O-CA 3.33Å; D231-Q254 WeakPolarHBondContact O-CG 2.96Å; Q254-G271 CarbonylContact O-C 3.49Å; Q254-G271 WeakPolarHBondContact O-CA 3.26Å; Q254-T272 PolarHBondContact N-O 2.84Å; Q254-T272 PolarHBondContact O-N 3.26Å |
| 255 | I | 95.7 | Very high | 90.2 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.6 | 134.6 | -171.2 | -58.3 | 174.9 | 0 | 0 | 0 | 109.6 | V207 C229 Y230 D231 C235 T251 I253 V269 | V207-I255 HydrophobicContact CB-CG2 4.35Å; V207-I255 HydrophobicContact CG1-CG2 3.89Å; C229-I255 HydrophobicContact CB-CD1 4.02Å; C229-I255 HydrophobicContact CB-CG2 4.33Å; Y230-I255 WeakPolarHBondContact O-CD1 3.1Å; D231-I255 PolarHBondContact O-N 3.35Å; C235-I255 WeakPolarHBondContact SG-CD1 3.4Å; T251-I255 HydrophobicContact CG2-CD1 4.23Å; I253-I255 HydrophobicContact CG1-CG1 4.17Å; I253-I255 PolarHBondContact O-N 2.73Å; I255-V269 HydrophobicContact CB-CG1 4.44Å; I255-V269 HydrophobicContact CD1-CG1 3.6Å; I255-V269 HydrophobicContact CG1-CG1 3.74Å; I255-V269 HydrophobicContact CG2-CG1 3.83Å |
| 256 | T | 95.3 | Very high | 90.2 | Very high | 42 Ų | 42 | 33.7 Ų | 33.7 | 26% | 0.258 | 20% | 0.201 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | -33.2 | 175.1 | 59 | 0 | 0 | 0 | 0 | 112.6 | V207 A270 L303 | V207-T256 WeakPolarHBondContact CG1-O 3.18Å; T256-A270 PolarHBondContact N-O 2.75Å; T256-A270 PolarHBondContact OG1-O 3.16Å; T256-L303 WeakPolarHBondContact OG1-CD2 3.32Å |
| 257 | C | 94.9 | Very high | 90.2 | Very high | 16 Ų | 16 | 33.1 Ų | 33.1 | 11% | 0.108 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -159.6 | 158.5 | 175.3 | 51.5 | 0 | 0 | 0 | 0 | 110.8 | A270 A305 C306 | C257-A270 PolarHBondContact N-O 2.81Å; C257-A270 PolarHBondContact O-N 3.42Å; C257-A305 VanDerWaalsContact SG-C 3.57Å; C257-C306 PolarHBondContact SG-N 3.27Å; C257-C306 VanDerWaalsContact SG-N 3.42Å; C257-C306 PolarHBondContact SG-SG 3.46Å |
| 258 | S | 95.5 | Very high | 90.4 | Very high | 13 Ų | 13 | 31.1 Ų | 31.1 | 9% | 0.091 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.6 | 154.6 | 168 | 78.5 | 0 | 0 | 0 | 0 | 110.8 | S208 A268 | S208-S258 WeakPolarHBondContact CB-OG 3.46Å; S208-S258 PolarHBondContact OG-OG 2.8Å; S258-A268 CarbonylContact C-O 3.57Å; S258-A268 WeakPolarHBondContact CA-O 3.29Å; S258-A268 WeakPolarHBondContact CB-O 3.46Å |
| 259 | C | 93.9 | Very high | 90.5 | Very high | 18 Ų | 18 | 26.7 Ų | 26.7 | 12% | 0.122 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.1 | 139.6 | 171.5 | 56.1 | 0 | 0 | 0 | 0 | 112 | D210 A268 C306 W308 | D210-C259 WeakPolarHBondContact OD2-CA 3.41Å; C259-A268 PolarHBondContact N-O 3.33Å; C259-A268 PolarHBondContact O-N 3.11Å; C259-C306 PolarHBondContact SG-SG 2.89Å; C259-W308 PolarHBondContact O-NE1 3.1Å; C259-W308 VanDerWaalsContact O-NE1 3.1Å; C259-W308 PolarHBondContact SG-NE1 3.04Å |
| 260 | W | 91.3 | Very high | 90.7 | Very high | 11 Ų | 11 | 26 Ų | 26 | 4% | 0.042 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.8 | 143.4 | 165.9 | -73.5 | 107.6 | 0 | 0 | 0 | 110.5 | D210 S225 A227 L237 L267 P288 W308 | D210-W260 PolarHBondContact O-NE1 3.09Å; D210-W260 PolarHBondContact OD2-N 3.45Å; S225-W260 PolarHBondContact O-NE1 3.13Å; A227-W260 HydrophobicContact CB-CZ2 4.03Å; L237-W260 HydrophobicContact CD1-CH2 4.49Å; L237-W260 HydrophobicContact CD2-CZ2 4.19Å; W260-L267 HydrophobicContact CD2-CB 4.22Å; W260-L267 HydrophobicContact CD2-CD1 3.9Å; W260-L267 HydrophobicContact CE3-CB 3.89Å; W260-L267 HydrophobicContact CE3-CD1 4.41Å; W260-L267 HydrophobicContact CG-CD1 4.05Å; W260-L267 HydrophobicContact CH2-CB 4.04Å; W260-L267 HydrophobicContact CZ2-CB 4.37Å; W260-L267 HydrophobicContact CZ2-CD1 4.46Å; W260-L267 HydrophobicContact CZ3-CB 3.79Å; W260-P288 HydrophobicContact CH2-CB 4.19Å; W260-P288 HydrophobicContact CH2-CG 4.27Å; W260-P288 HydrophobicContact CZ3-CB 4.43Å; W260-P288 HydrophobicContact CZ3-CG 4.01Å; W260-W308 VanDerWaalsContact C-CD1 3.48Å |
| 261 | N | 86.9 | Confident | 90.8 | Very high | 3 Ų | 3 | 21.5 Ų | 21.5 | 2% | 0.016 | 14% | 0.135 | C | C | . | . | trans | -72 | 170 | 164 | 69.4 | -14.7 | 0 | 0 | 0 | 111.1 | D263 G264 S265 M266 W308 | N261-D263 VanDerWaalsContact C-N 3.35Å; N261-D263 PolarHBondContact ND2-OD1 3.31Å; N261-D263 PolarHBondContact O-N 3.33Å; N261-D263 PolarHBondContact OD1-OD1 3.5Å; N261-G264 PolarHBondContact O-N 3.4Å; N261-G264 WeakPolarHBondContact OD1-CA 3.31Å; N261-G264 PolarHBondContact OD1-N 3.19Å; N261-S265 PolarHBondContact ND2-OG 3.01Å; N261-S265 PolarHBondContact OD1-N 3.12Å; N261-M266 PolarHBondContact N-O 3.16Å; N261-M266 WeakPolarHBondContact ND2-CE 3.46Å; N261-M266 PolarHBondContact ND2-N 3.17Å; N261-M266 PolarHBondContact OD1-N 2.85Å; N261-M266 PolarHBondContact OD1-O 3.48Å; N261-W308 HydrophobicContact CB-CD2 3.73Å; N261-W308 HydrophobicContact CB-CE3 4.13Å; N261-W308 HydrophobicContact CB-CG 3.97Å; N261-W308 HydrophobicContact CB-CZ2 4.2Å | ||
| 262 | E | 81.8 | Confident | 90.9 | Very high | 56 Ų | 56 | 22.1 Ų | 22.1 | 26% | 0.262 | 14% | 0.138 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.9 | -23.9 | -170.7 | -175.6 | -168.1 | -156 | 0 | 0 | 115.4 | K24 Y212 G310 N311 G312 | K24-E262 HydrophobicContact CD-CG 4.39Å; Y212-E262 WeakPolarHBondContact CE2-O 3.45Å; Y212-E262 PolarHBondContact OH-O 2.84Å; E262-G310 VanDerWaalsContact CD-CA 3.48Å; E262-G310 WeakPolarHBondContact OE2-CA 3.32Å; E262-N311 PolarHBondContact OE1-N 3.44Å; E262-N311 VanDerWaalsContact OE2-CA 3.31Å; E262-N311 WeakPolarHBondContact OE2-CA 3.39Å; E262-N311 PolarHBondContact OE2-N 3.18Å; E262-G312 PolarHBondContact OE2-N 3.13Å |
| 263 | D | 75.9 | Confident | 90.8 | Very high | 65 Ų | 65 | 23.3 Ų | 23.3 | 35% | 0.348 | 13% | 0.128 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -94.4 | -3.1 | 175.3 | 68 | -8.6 | 0 | 0 | 0 | 112.6 | Y212 N261 S265 | Y212-D263 VanDerWaalsContact CZ-C 3.42Å; Y212-D263 VanDerWaalsContact OH-C 3.28Å; Y212-D263 WeakPolarHBondContact OH-CA 3.42Å; Y212-D263 PolarHBondContact OH-O 3.25Å; N261-D263 VanDerWaalsContact C-N 3.35Å; N261-D263 PolarHBondContact ND2-OD1 3.31Å; N261-D263 PolarHBondContact O-N 3.33Å; N261-D263 PolarHBondContact OD1-OD1 3.5Å; D263-S265 PolarHBondContact O-N 2.92Å; D263-S265 WeakPolarHBondContact OD1-CB 3.28Å; D263-S265 PolarHBondContact OD1-N 3.46Å; D263-S265 PolarHBondContact OD1-OG 3.42Å; D263-S265 WeakPolarHBondContact OD2-CB 3.32Å; D263-S265 PolarHBondContact OD2-OG 3.43Å |
| 264 | G | 80.2 | Confident | 90.3 | Very high | 11 Ų | 11 | 28.9 Ų | 28.9 | 11% | 0.113 | 16% | 0.156 | C | C | . | . | S | Bend | trans | 68.2 | 14.2 | -177.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | N261 P288 | N261-G264 PolarHBondContact O-N 3.4Å; N261-G264 WeakPolarHBondContact OD1-CA 3.31Å; N261-G264 PolarHBondContact OD1-N 3.19Å; G264-P288 VanDerWaalsContact O-CG 3.23Å; G264-P288 WeakPolarHBondContact O-CG 3.37Å |
| 265 | S | 79.1 | Confident | 89.3 | Confident | 49 Ų | 49 | 27.2 Ų | 27.2 | 34% | 0.343 | 15% | 0.154 | S | C | . | . | S | Bend | trans | -80.9 | -16.2 | -180 | 69.2 | 0 | 0 | 0 | 0 | 113.5 | N261 D263 P288 | N261-S265 PolarHBondContact ND2-OG 3.01Å; N261-S265 PolarHBondContact OD1-N 3.12Å; D263-S265 PolarHBondContact O-N 2.92Å; D263-S265 WeakPolarHBondContact OD1-CB 3.28Å; D263-S265 PolarHBondContact OD1-N 3.46Å; D263-S265 PolarHBondContact OD1-OG 3.42Å; D263-S265 WeakPolarHBondContact OD2-CB 3.32Å; D263-S265 PolarHBondContact OD2-OG 3.43Å; S265-P288 WeakPolarHBondContact O-CD 3.43Å |
| 266 | M | 87.6 | Confident | 88.1 | Confident | 7 Ų | 7 | 32.4 Ų | 32.4 | 3% | 0.034 | 20% | 0.197 | C | C | . | . | trans | -147.2 | 138.4 | -178.7 | -62.7 | -175.6 | -74.3 | 0 | 0 | 113.2 | M1 N261 Y286 L293 W308 L314 L329 | M1-M266 HydrophobicContact CE-CE 4.35Å; M1-M266 HydrophobicContact CE-SD 3.23Å; M1-M266 WeakPolarHBondContact CE-SD 3.37Å; M1-M266 HydrophobicContact SD-SD 3.84Å; N261-M266 PolarHBondContact N-O 3.16Å; N261-M266 WeakPolarHBondContact ND2-CE 3.46Å; N261-M266 PolarHBondContact ND2-N 3.17Å; N261-M266 PolarHBondContact OD1-N 2.85Å; N261-M266 PolarHBondContact OD1-O 3.48Å; M266-Y286 CarbonylContact C-O 3.53Å; M266-Y286 VanDerWaalsContact CA-O 3.28Å; M266-Y286 WeakPolarHBondContact CA-O 3.48Å; M266-L293 HydrophobicContact CG-CD1 3.8Å; M266-L293 HydrophobicContact SD-CD1 4.03Å; M266-W308 HydrophobicContact CE-CH2 4.12Å; M266-L314 HydrophobicContact CE-CD2 3.48Å; M266-L314 VanDerWaalsContact CE-CD2 3.48Å; M266-L329 HydrophobicContact CE-CD2 4.38Å; M266-L329 HydrophobicContact SD-CD2 4.3Å | ||
| 267 | L | 92.5 | Very high | 86.9 | Confident | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 122 | 168 | -178 | 68.6 | 0 | 0 | 0 | 109.2 | A227 L237 W260 V269 F285 Y286 | A227-L267 HydrophobicContact CB-CD1 4.01Å; A227-L267 HydrophobicContact CB-CD2 3.94Å; L237-L267 HydrophobicContact CD2-CD2 3.61Å; W260-L267 HydrophobicContact CD2-CB 4.22Å; W260-L267 HydrophobicContact CD2-CD1 3.9Å; W260-L267 HydrophobicContact CE3-CB 3.89Å; W260-L267 HydrophobicContact CE3-CD1 4.41Å; W260-L267 HydrophobicContact CG-CD1 4.05Å; W260-L267 HydrophobicContact CH2-CB 4.04Å; W260-L267 HydrophobicContact CZ2-CB 4.37Å; W260-L267 HydrophobicContact CZ2-CD1 4.46Å; W260-L267 HydrophobicContact CZ3-CB 3.79Å; L267-V269 HydrophobicContact CD2-CG2 3.77Å; L267-V269 HydrophobicContact CG-CG2 3.87Å; L267-F285 WeakPolarHBondContact O-CA 3.42Å; L267-Y286 PolarHBondContact N-O 3.06Å; L267-Y286 PolarHBondContact O-N 3.44Å |
| 268 | A | 95.5 | Very high | 86.3 | Confident | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 122.8 | 166.4 | 0 | 0 | 0 | 0 | 0 | 109 | S258 C259 V283 F285 W308 L316 | S258-A268 CarbonylContact C-O 3.57Å; S258-A268 WeakPolarHBondContact CA-O 3.29Å; S258-A268 WeakPolarHBondContact CB-O 3.46Å; C259-A268 PolarHBondContact N-O 3.33Å; C259-A268 PolarHBondContact O-N 3.11Å; A268-V283 HydrophobicContact CB-CG1 4.08Å; A268-F285 HydrophobicContact CB-CD1 4.01Å; A268-F285 HydrophobicContact CB-CE1 3.86Å; A268-W308 HydrophobicContact CB-CZ2 3.8Å; A268-L316 HydrophobicContact CB-CD1 4.35Å |
| 269 | V | 96.7 | Very high | 85.7 | Confident | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 114.7 | 172.6 | -173.6 | 0 | 0 | 0 | 0 | 108 | T251 I253 I255 L267 Q284 Y286 | T251-V269 HydrophobicContact CG2-CG1 4.25Å; I253-V269 HydrophobicContact CD1-CG1 4.35Å; I255-V269 HydrophobicContact CB-CG1 4.44Å; I255-V269 HydrophobicContact CD1-CG1 3.6Å; I255-V269 HydrophobicContact CG1-CG1 3.74Å; I255-V269 HydrophobicContact CG2-CG1 3.83Å; L267-V269 HydrophobicContact CD2-CG2 3.77Å; L267-V269 HydrophobicContact CG-CG2 3.87Å; V269-Q284 PolarHBondContact N-O 3.33Å; V269-Q284 PolarHBondContact O-N 3.19Å; V269-Y286 HydrophobicContact CB-CD2 4.47Å; V269-Y286 HydrophobicContact CB-CE2 4.39Å; V269-Y286 HydrophobicContact CG2-CD2 3.99Å; V269-Y286 HydrophobicContact CG2-CE2 4.28Å |
| 270 | A | 96.9 | Very high | 85.5 | Confident | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 140.9 | -172.7 | 0 | 0 | 0 | 0 | 0 | 110.1 | T256 C257 V282 V283 L303 C306 | T256-A270 PolarHBondContact N-O 2.75Å; T256-A270 PolarHBondContact OG1-O 3.16Å; C257-A270 PolarHBondContact N-O 2.81Å; C257-A270 PolarHBondContact O-N 3.42Å; A270-V282 WeakPolarHBondContact CA-O 3.48Å; A270-V283 HydrophobicContact CB-CB 4.4Å; A270-V283 HydrophobicContact CB-CG1 4.15Å; A270-V283 HydrophobicContact CB-CG2 3.94Å; A270-L303 HydrophobicContact CB-CD2 3.68Å; A270-C306 HydrophobicContact CB-CB 4.33Å |
| 271 | G | 95.2 | Very high | 85.7 | Confident | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -178 | -166.7 | -175.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | Q254 N281 V282 | Q254-G271 CarbonylContact O-C 3.49Å; Q254-G271 WeakPolarHBondContact O-CA 3.26Å; G271-N281 WeakPolarHBondContact O-CA 3.47Å; G271-V282 PolarHBondContact N-O 3.35Å; G271-V282 PolarHBondContact O-N 3.36Å |
| 272 | T | 94.4 | Very high | 86 | Confident | 21 Ų | 21 | 52 Ų | 52 | 13% | 0.129 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 122.8 | -179 | -55.2 | 0 | 0 | 0 | 0 | 110 | Q254 M274 N279 N281 | Q254-T272 PolarHBondContact N-O 2.84Å; Q254-T272 PolarHBondContact O-N 3.26Å; T272-M274 HydrophobicContact CG2-SD 4.5Å; T272-N279 HydrophobicContact CG2-CB 3.62Å; T272-N281 PolarHBondContact OG1-OD1 2.95Å |
| 273 | Q | 90.3 | Very high | 86.7 | Confident | 83 Ų | 83 | 49.3 Ų | 49.3 | 39% | 0.388 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.3 | 120.2 | 170.9 | -166.2 | 171.5 | 7.7 | 0 | 0 | 108.9 | I253 S275 I280 V282 | I253-Q273 HydrophobicContact CG2-CB 3.88Å; I253-Q273 HydrophobicContact CG2-CG 4.15Å; Q273-S275 PolarHBondContact O-N 3.43Å; Q273-I280 PolarHBondContact N-O 3.49Å; Q273-I280 PolarHBondContact O-N 3.41Å; Q273-I280 VanDerWaalsContact O-N 3.09Å; Q273-V282 HydrophobicContact CB-CG1 4.32Å; Q273-V282 HydrophobicContact CB-CG2 4.28Å |
| 274 | M | 82.1 | Confident | 87.6 | Confident | 123 Ų | 123 | 46.9 Ų | 46.9 | 61% | 0.606 | 26% | 0.256 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -80.6 | 112.2 | 177.2 | -58.4 | -67.6 | -76.9 | 0 | 0 | 108.4 | T272 N279 | T272-M274 HydrophobicContact CG2-SD 4.5Å; M274-N279 PolarHBondContact SD-ND2 2.99Å; M274-N279 PolarHBondContact SD-OD1 3.33Å |
| 275 | S | 73.2 | Confident | 88.2 | Confident | 53 Ų | 53 | 46.4 Ų | 46.4 | 37% | 0.371 | 25% | 0.251 | S | S | . | . | trans | -109.3 | 160.2 | 167.6 | 84.4 | 0 | 0 | 0 | 0 | 109.7 | Q273 D277 R278 | Q273-S275 PolarHBondContact O-N 3.43Å; S275-D277 PolarHBondContact O-N 3.46Å; S275-D277 VanDerWaalsContact O-N 3.17Å; S275-R278 WeakPolarHBondContact CB-O 3.26Å; S275-R278 PolarHBondContact OG-N 2.91Å; S275-R278 PolarHBondContact OG-O 2.96Å | ||
| 276 | A | 70.5 | Confident | 88.8 | Confident | 110 Ų | 110 | 44.7 Ų | 44.7 | 91% | 0.909 | 24% | 0.237 | S | C | * | . | S | Bend | trans | -56.8 | -32.3 | -177.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||
| 277 | D | 70.8 | Confident | 88.8 | Confident | 154 Ų | 154 | 45.7 Ų | 45.7 | 82% | 0.824 | 24% | 0.243 | S | C | * | . | S | Bend | trans | -97.9 | -42.3 | -174 | -65.9 | -29.5 | 0 | 0 | 0 | 113 | S275 | S275-D277 PolarHBondContact O-N 3.46Å; S275-D277 VanDerWaalsContact O-N 3.17Å |
| 278 | R | 81.1 | Confident | 88.4 | Confident | 198 Ų | 198 | 46.3 Ų | 46.3 | 75% | 0.747 | 25% | 0.247 | S | C | * | . | trans | -152.3 | 142.2 | -173.9 | -64.5 | -173.4 | -178.2 | 174.9 | 1.7 | 112.4 | S275 | S275-R278 WeakPolarHBondContact CB-O 3.26Å; S275-R278 PolarHBondContact OG-N 2.91Å; S275-R278 PolarHBondContact OG-O 2.96Å | ||
| 279 | N | 84.7 | Confident | 87.9 | Confident | 94 Ų | 94 | 50.4 Ų | 50.4 | 50% | 0.503 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.6 | 125.4 | 169.2 | -71.1 | 2.2 | 0 | 0 | 0 | 109.5 | T272 M274 | T272-N279 HydrophobicContact CG2-CB 3.62Å; M274-N279 PolarHBondContact SD-ND2 2.99Å; M274-N279 PolarHBondContact SD-OD1 3.33Å |
| 280 | I | 90 | Very high | 87.4 | Confident | 65 Ų | 65 | 51 Ų | 51 | 33% | 0.333 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 128.5 | -178 | -56.2 | 172.5 | 0 | 0 | 0 | 108.2 | Q273 V282 L297 | Q273-I280 PolarHBondContact N-O 3.49Å; Q273-I280 PolarHBondContact O-N 3.41Å; Q273-I280 VanDerWaalsContact O-N 3.09Å; I280-V282 HydrophobicContact CG2-CG1 4.07Å; I280-L297 HydrophobicContact CG2-CD2 4.07Å |
| 281 | N | 94.2 | Very high | 86.9 | Confident | 2 Ų | 2 | 55.6 Ų | 55.6 | 1% | 0.011 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78 | 133.7 | 173.6 | -69.2 | -43.8 | 0 | 0 | 0 | 109.3 | G271 T272 L298 G300 K301 L303 | G271-N281 WeakPolarHBondContact O-CA 3.47Å; T272-N281 PolarHBondContact OG1-OD1 2.95Å; N281-L298 HydrophobicContact CB-CB 3.94Å; N281-L298 PolarHBondContact O-N 3.34Å; N281-G300 PolarHBondContact ND2-O 3.47Å; N281-K301 VanDerWaalsContact ND2-C 3.28Å; N281-K301 PolarHBondContact ND2-O 3.4Å; N281-L303 HydrophobicContact CB-CB 4.28Å |
| 282 | V | 94.2 | Very high | 86.6 | Confident | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.9 | 153.8 | -176.7 | -55.9 | 0 | 0 | 0 | 0 | 111.1 | I253 A270 G271 Q273 I280 T295 L296 L297 | I253-V282 HydrophobicContact CB-CG2 4.48Å; I253-V282 HydrophobicContact CD1-CG2 4.11Å; I253-V282 HydrophobicContact CG2-CG2 3.69Å; A270-V282 WeakPolarHBondContact CA-O 3.48Å; G271-V282 PolarHBondContact N-O 3.35Å; G271-V282 PolarHBondContact O-N 3.36Å; Q273-V282 HydrophobicContact CB-CG1 4.32Å; Q273-V282 HydrophobicContact CB-CG2 4.28Å; I280-V282 HydrophobicContact CG2-CG1 4.07Å; V282-T295 HydrophobicContact CB-CG2 4.02Å; V282-T295 HydrophobicContact CG1-CG2 4.37Å; V282-L296 CarbonylContact C-O 3.47Å; V282-L296 VanDerWaalsContact CA-O 3.3Å; V282-L296 WeakPolarHBondContact CA-O 3.43Å; V282-L297 HydrophobicContact CG1-CD2 3.46Å; V282-L297 VanDerWaalsContact CG1-CD2 3.46Å |
| 283 | V | 95.2 | Very high | 86.3 | Confident | 0 Ų | 0 | 61.5 Ų | 61.5 | 0% | 0 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 121.3 | 166.3 | -169.1 | 0 | 0 | 0 | 0 | 108 | A268 A270 F285 T295 L296 L298 L316 L318 | A268-V283 HydrophobicContact CB-CG1 4.08Å; A270-V283 HydrophobicContact CB-CB 4.4Å; A270-V283 HydrophobicContact CB-CG1 4.15Å; A270-V283 HydrophobicContact CB-CG2 3.94Å; V283-F285 HydrophobicContact CB-CE2 4.46Å; V283-F285 HydrophobicContact CB-CZ 4.2Å; V283-F285 HydrophobicContact CG1-CD1 4.46Å; V283-F285 HydrophobicContact CG1-CE1 3.8Å; V283-F285 HydrophobicContact CG1-CE2 4.26Å; V283-F285 HydrophobicContact CG1-CZ 3.69Å; V283-T295 CarbonylContact O-C 3.59Å; V283-T295 WeakPolarHBondContact O-CA 3.48Å; V283-L296 PolarHBondContact N-O 2.92Å; V283-L296 PolarHBondContact O-N 2.97Å; V283-L298 HydrophobicContact CG2-CD1 3.56Å; V283-L298 HydrophobicContact CG2-CD2 4.39Å; V283-L298 HydrophobicContact CG2-CG 4.07Å; V283-L316 HydrophobicContact CG1-CD2 4.12Å; V283-L318 HydrophobicContact CG2-CD1 3.92Å; V283-L318 HydrophobicContact CG2-CD2 3.68Å; V283-L318 HydrophobicContact CG2-CG 4.45Å |
| 284 | Q | 95 | Very high | 86.2 | Confident | 15 Ų | 15 | 58.9 Ų | 58.9 | 7% | 0.07 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 135.8 | 173.7 | -66.1 | 175.5 | -16.7 | 0 | 0 | 109 | T251 I253 V269 Y286 N294 T295 | T251-Q284 PolarHBondContact O-NE2 3.09Å; T251-Q284 PolarHBondContact O-OE1 2.89Å; I253-Q284 HydrophobicContact CD1-CG 4.45Å; V269-Q284 PolarHBondContact N-O 3.33Å; V269-Q284 PolarHBondContact O-N 3.19Å; Q284-Y286 HydrophobicContact CB-CD2 4.31Å; Q284-Y286 HydrophobicContact CB-CE2 3.55Å; Q284-Y286 PolarHBondContact OE1-OH 3.02Å; Q284-N294 WeakPolarHBondContact CA-O 3.46Å; Q284-T295 HydrophobicContact CG-CG2 4.09Å |
| 285 | F | 93.8 | Very high | 86.6 | Confident | 0 Ų | 0 | 55.2 Ų | 55.2 | 0% | 0 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 130.9 | 177.8 | -58.6 | -75.8 | 0 | 0 | 0 | 109.6 | L267 A268 V283 L293 N294 L296 W308 L316 L329 | L267-F285 WeakPolarHBondContact O-CA 3.42Å; A268-F285 HydrophobicContact CB-CD1 4.01Å; A268-F285 HydrophobicContact CB-CE1 3.86Å; V283-F285 HydrophobicContact CB-CE2 4.46Å; V283-F285 HydrophobicContact CB-CZ 4.2Å; V283-F285 HydrophobicContact CG1-CD1 4.46Å; V283-F285 HydrophobicContact CG1-CE1 3.8Å; V283-F285 HydrophobicContact CG1-CE2 4.26Å; V283-F285 HydrophobicContact CG1-CZ 3.69Å; F285-L293 HydrophobicContact CB-CB 4.25Å; F285-L293 WeakPolarHBondContact O-CB 3.41Å; F285-L293 PolarHBondContact O-N 3.43Å; F285-N294 HydrophobicContact CD2-CB 4.22Å; F285-N294 PolarHBondContact N-O 3.23Å; F285-L296 HydrophobicContact CE2-CB 4.2Å; F285-W308 HydrophobicContact CD1-CH2 4.12Å; F285-W308 AromaticContact CD1-CZ2 3.98Å; F285-W308 HydrophobicContact CD1-CZ2 3.98Å; F285-W308 AromaticContact CE1-CH2 3.84Å; F285-W308 HydrophobicContact CE1-CH2 3.84Å; F285-W308 AromaticContact CE1-CZ2 3.82Å; F285-W308 HydrophobicContact CE1-CZ2 3.82Å; F285-L316 HydrophobicContact CE1-CD2 4.07Å; F285-L316 HydrophobicContact CZ-CD2 4.12Å; F285-L329 HydrophobicContact CD1-CD2 3.68Å; F285-L329 HydrophobicContact CD2-CD2 3.97Å; F285-L329 HydrophobicContact CE1-CD1 4.15Å; F285-L329 HydrophobicContact CE1-CD2 3.61Å; F285-L329 HydrophobicContact CE1-CG 4.35Å; F285-L329 HydrophobicContact CE2-CD2 3.89Å; F285-L329 HydrophobicContact CE2-CG 4.36Å; F285-L329 HydrophobicContact CG-CD2 3.86Å; F285-L329 HydrophobicContact CZ-CD1 3.98Å; F285-L329 HydrophobicContact CZ-CD2 3.71Å; F285-L329 HydrophobicContact CZ-CG 4.1Å |
| 286 | Y | 91.8 | Very high | 87.5 | Confident | 13 Ų | 13 | 53.4 Ų | 53.4 | 5% | 0.051 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 147.1 | 179.5 | -67.9 | -88.5 | 0 | 0 | 0 | 110.5 | L249 T251 M266 L267 V269 Q284 N291 H292 | L249-Y286 HydrophobicContact CD1-CD1 4.3Å; L249-Y286 HydrophobicContact CD1-CG 4.33Å; L249-Y286 HydrophobicContact CD2-CD1 4.2Å; L249-Y286 HydrophobicContact CD2-CE1 4.26Å; T251-Y286 HydrophobicContact CG2-CE2 4.05Å; M266-Y286 CarbonylContact C-O 3.53Å; M266-Y286 VanDerWaalsContact CA-O 3.28Å; M266-Y286 WeakPolarHBondContact CA-O 3.48Å; L267-Y286 PolarHBondContact N-O 3.06Å; L267-Y286 PolarHBondContact O-N 3.44Å; V269-Y286 HydrophobicContact CB-CD2 4.47Å; V269-Y286 HydrophobicContact CB-CE2 4.39Å; V269-Y286 HydrophobicContact CG2-CD2 3.99Å; V269-Y286 HydrophobicContact CG2-CE2 4.28Å; Q284-Y286 HydrophobicContact CB-CD2 4.31Å; Q284-Y286 HydrophobicContact CB-CE2 3.55Å; Q284-Y286 PolarHBondContact OE1-OH 3.02Å; Y286-N291 VanDerWaalsContact CA-O 3.31Å; Y286-N291 WeakPolarHBondContact CA-O 3.34Å; Y286-H292 HydrophobicContact CD1-CB 4.13Å; Y286-H292 HydrophobicContact CE1-CB 3.73Å; Y286-H292 AromaticContact CZ-CD2 3.94Å |
| 287 | N | 86.3 | Confident | 88.5 | Confident | 29 Ų | 29 | 53.2 Ų | 53.2 | 16% | 0.155 | 27% | 0.265 | C | S | . | . | trans | -79.8 | 172.1 | 165.4 | 75.8 | 3.1 | 0 | 0 | 0 | 110.6 | F289 G290 N291 L293 | N287-F289 PolarHBondContact O-N 3.41Å; N287-F289 WeakPolarHBondContact OD1-CA 3.36Å; N287-F289 PolarHBondContact OD1-N 3.47Å; N287-G290 PolarHBondContact O-N 3.25Å; N287-G290 PolarHBondContact OD1-N 2.95Å; N287-G290 VanDerWaalsContact OD1-N 3.12Å; N287-N291 PolarHBondContact N-O 3.48Å; N287-N291 PolarHBondContact ND2-ND2 3.18Å; N287-N291 WeakPolarHBondContact OD1-CB 3.48Å; N287-N291 PolarHBondContact OD1-N 3Å; N287-L293 HydrophobicContact CB-CD1 4.17Å; N287-L293 HydrophobicContact CB-CD2 4.24Å; N287-L293 HydrophobicContact CB-CG 4.4Å | ||
| 288 | P | 85.2 | Confident | 89.5 | Confident | 13 Ų | 13 | 46.4 Ų | 46.4 | 8% | 0.084 | 23% | 0.228 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.1 | -17.5 | 179.3 | -27.2 | 36.9 | 0 | 0 | 0 | 115.6 | P224 L237 W260 G264 S265 G290 | P224-P288 WeakPolarHBondContact CB-O 3.47Å; P224-P288 VanDerWaalsContact CG-O 3.3Å; P224-P288 WeakPolarHBondContact CG-O 3.44Å; L237-P288 WeakPolarHBondContact CD1-O 3.25Å; W260-P288 HydrophobicContact CH2-CB 4.19Å; W260-P288 HydrophobicContact CH2-CG 4.27Å; W260-P288 HydrophobicContact CZ3-CB 4.43Å; W260-P288 HydrophobicContact CZ3-CG 4.01Å; G264-P288 VanDerWaalsContact O-CG 3.23Å; G264-P288 WeakPolarHBondContact O-CG 3.37Å; S265-P288 WeakPolarHBondContact O-CD 3.43Å; P288-G290 VanDerWaalsContact C-N 3.33Å |
| 289 | F | 84.6 | Confident | 89.9 | Confident | 86 Ų | 86 | 39.7 Ų | 39.7 | 38% | 0.377 | 21% | 0.21 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -92.7 | 6.1 | 178.2 | -52.5 | -72.3 | 0 | 0 | 0 | 112.9 | L223 V247 N287 N291 F354 | L223-F289 HydrophobicContact CD2-CE1 3.8Å; L223-F289 HydrophobicContact CD2-CE2 4.2Å; L223-F289 HydrophobicContact CD2-CZ 3.28Å; V247-F289 VanDerWaalsContact CG1-O 3.25Å; V247-F289 WeakPolarHBondContact CG1-O 3.47Å; N287-F289 PolarHBondContact O-N 3.41Å; N287-F289 WeakPolarHBondContact OD1-CA 3.36Å; N287-F289 PolarHBondContact OD1-N 3.47Å; F289-N291 VanDerWaalsContact C-N 3.31Å; F289-N291 PolarHBondContact O-N 2.89Å; F289-F354 HydrophobicContact CE1-CE1 4.27Å; F289-F354 HydrophobicContact CE1-CZ 4.12Å; F289-F354 HydrophobicContact CE2-CE1 4.19Å; F289-F354 AromaticContact CZ-CE1 3.5Å; F289-F354 HydrophobicContact CZ-CE1 3.5Å; F289-F354 VanDerWaalsContact CZ-CE1 3.5Å; F289-F354 AromaticContact CZ-CZ 3.68Å; F289-F354 HydrophobicContact CZ-CZ 3.68Å |
| 290 | G | 85.8 | Confident | 90.1 | Very high | 12 Ų | 12 | 37 Ų | 37 | 12% | 0.124 | 21% | 0.206 | C | C | . | . | trans | 77.8 | 11.3 | 179.2 | 0 | 0 | 0 | 0 | 0 | 115 | L249 N287 P288 H292 | L249-G290 WeakPolarHBondContact CD2-O 3.5Å; N287-G290 PolarHBondContact O-N 3.25Å; N287-G290 PolarHBondContact OD1-N 2.95Å; N287-G290 VanDerWaalsContact OD1-N 3.12Å; P288-G290 VanDerWaalsContact C-N 3.33Å; G290-H292 PolarHBondContact O-N 3.27Å | ||
| 291 | N | 86.5 | Confident | 90 | Very high | 97 Ų | 97 | 42.6 Ų | 42.6 | 52% | 0.519 | 23% | 0.227 | S | C | . | . | trans | -74.9 | 128.2 | 172 | -57.9 | -22.5 | 0 | 0 | 0 | 109.3 | Y286 N287 F289 | Y286-N291 VanDerWaalsContact CA-O 3.31Å; Y286-N291 WeakPolarHBondContact CA-O 3.34Å; N287-N291 PolarHBondContact N-O 3.48Å; N287-N291 PolarHBondContact ND2-ND2 3.18Å; N287-N291 WeakPolarHBondContact OD1-CB 3.48Å; N287-N291 PolarHBondContact OD1-N 3Å; F289-N291 VanDerWaalsContact C-N 3.31Å; F289-N291 PolarHBondContact O-N 2.89Å | ||
| 292 | H | 90 | Very high | 89.8 | Confident | 92 Ų | 92 | 45.5 Ų | 45.5 | 43% | 0.426 | 25% | 0.247 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -68 | 130.5 | 172.7 | 178.7 | -91.2 | 0 | 0 | 0 | 110.5 | Y286 G290 N294 T295 | Y286-H292 HydrophobicContact CD1-CB 4.13Å; Y286-H292 HydrophobicContact CE1-CB 3.73Å; Y286-H292 AromaticContact CZ-CD2 3.94Å; G290-H292 PolarHBondContact O-N 3.27Å; H292-N294 VanDerWaalsContact CE1-C 3.42Å; H292-N294 PolarHBondContact NE2-O 3.25Å; H292-T295 PolarHBondContact CE1-OG1 3.03Å; H292-T295 VanDerWaalsContact CE1-OG1 3.31Å; H292-T295 PolarHBondContact NE2-OG1 3.15Å |
| 293 | L | 86.3 | Confident | 89.8 | Confident | 53 Ų | 53 | 45.9 Ų | 45.9 | 28% | 0.277 | 25% | 0.249 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | -43 | -175.6 | -60 | 178 | 0 | 0 | 0 | 112.7 | M1 M266 F285 N287 | M1-L293 HydrophobicContact CE-CB 4.49Å; M1-L293 HydrophobicContact CE-CD1 4.01Å; M1-L293 HydrophobicContact SD-CB 4.03Å; M1-L293 HydrophobicContact SD-CD1 4.39Å; M266-L293 HydrophobicContact CG-CD1 3.8Å; M266-L293 HydrophobicContact SD-CD1 4.03Å; F285-L293 HydrophobicContact CB-CB 4.25Å; F285-L293 WeakPolarHBondContact O-CB 3.41Å; F285-L293 PolarHBondContact O-N 3.43Å; N287-L293 HydrophobicContact CB-CD1 4.17Å; N287-L293 HydrophobicContact CB-CD2 4.24Å; N287-L293 HydrophobicContact CB-CG 4.4Å |
| 294 | N | 89.1 | Confident | 89.8 | Confident | 27 Ų | 27 | 48 Ų | 48 | 14% | 0.144 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -167.4 | 158.7 | 178.6 | -159.4 | -1.1 | 0 | 0 | 0 | 111.5 | M1 S3 Q284 F285 H292 | M1-N294 HydrophobicContact CB-CB 4.32Å; M1-N294 HydrophobicContact CG-CB 4.39Å; M1-N294 PolarHBondContact O-ND2 3.19Å; S3-N294 PolarHBondContact N-ND2 3.43Å; S3-N294 PolarHBondContact OG-ND2 3.48Å; Q284-N294 WeakPolarHBondContact CA-O 3.46Å; F285-N294 HydrophobicContact CD2-CB 4.22Å; F285-N294 PolarHBondContact N-O 3.23Å; H292-N294 VanDerWaalsContact CE1-C 3.42Å; H292-N294 PolarHBondContact NE2-O 3.25Å |
| 295 | T | 91.2 | Very high | 89.8 | Confident | 46 Ų | 46 | 47.8 Ų | 47.8 | 28% | 0.282 | 26% | 0.263 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 126.7 | 169.3 | -58.7 | 0 | 0 | 0 | 0 | 109.9 | V282 V283 Q284 H292 | V282-T295 HydrophobicContact CB-CG2 4.02Å; V282-T295 HydrophobicContact CG1-CG2 4.37Å; V283-T295 CarbonylContact O-C 3.59Å; V283-T295 WeakPolarHBondContact O-CA 3.48Å; Q284-T295 HydrophobicContact CG-CG2 4.09Å; H292-T295 PolarHBondContact CE1-OG1 3.03Å; H292-T295 VanDerWaalsContact CE1-OG1 3.31Å; H292-T295 PolarHBondContact NE2-OG1 3.15Å |
| 296 | L | 91.1 | Very high | 89.8 | Confident | 16 Ų | 16 | 48.3 Ų | 48.3 | 8% | 0.084 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 123.8 | 173.3 | -179.5 | 63.6 | 0 | 0 | 0 | 110.4 | L5 V282 V283 F285 L298 A327 | L5-L296 HydrophobicContact CD2-CD2 4.07Å; L5-L296 HydrophobicContact CG-CD2 4.47Å; V282-L296 CarbonylContact C-O 3.47Å; V282-L296 VanDerWaalsContact CA-O 3.3Å; V282-L296 WeakPolarHBondContact CA-O 3.43Å; V283-L296 PolarHBondContact N-O 2.92Å; V283-L296 PolarHBondContact O-N 2.97Å; F285-L296 HydrophobicContact CE2-CB 4.2Å; L296-L298 HydrophobicContact CD2-CD2 4.1Å; L296-L298 HydrophobicContact CG-CD2 4.18Å; L296-A327 HydrophobicContact CD2-CB 3.59Å |
| 297 | L | 91.3 | Very high | 90 | Very high | 106 Ų | 106 | 48.4 Ų | 48.4 | 56% | 0.555 | 27% | 0.268 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -79.8 | 135.2 | 173.4 | -55.8 | -178.4 | 0 | 0 | 0 | 110.7 | I280 V282 | I280-L297 HydrophobicContact CG2-CD2 4.07Å; V282-L297 HydrophobicContact CG1-CD2 3.46Å; V282-L297 VanDerWaalsContact CG1-CD2 3.46Å |
| 298 | L | 91.7 | Very high | 90.2 | Very high | 10 Ų | 10 | 47.5 Ų | 47.5 | 5% | 0.052 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 138.6 | -178.7 | -59.2 | -178.7 | 0 | 0 | 0 | 112.1 | L5 N281 V283 L296 L303 L318 V320 | L5-L298 HydrophobicContact CD1-CD2 4.44Å; L5-L298 HydrophobicContact CD2-CD2 3.9Å; N281-L298 HydrophobicContact CB-CB 3.94Å; N281-L298 PolarHBondContact O-N 3.34Å; V283-L298 HydrophobicContact CG2-CD1 3.56Å; V283-L298 HydrophobicContact CG2-CD2 4.39Å; V283-L298 HydrophobicContact CG2-CG 4.07Å; L296-L298 HydrophobicContact CD2-CD2 4.1Å; L296-L298 HydrophobicContact CG-CD2 4.18Å; L298-L303 HydrophobicContact CD1-CD1 3.94Å; L298-L303 HydrophobicContact CD1-CD2 4.34Å; L298-L318 HydrophobicContact CD1-CD1 3.81Å; L298-L318 HydrophobicContact CD1-CD2 4.13Å; L298-L318 HydrophobicContact CD1-CG 4.4Å; L298-L318 HydrophobicContact CD2-CD1 3.57Å; L298-L318 HydrophobicContact CG-CD1 4.32Å; L298-V320 HydrophobicContact CD1-CG2 4.23Å |
| 299 | P | 90.2 | Very high | 90.4 | Very high | 57 Ų | 57 | 47.7 Ų | 47.7 | 37% | 0.37 | 26% | 0.262 | S | S | . | . | trans | -77.1 | 151.6 | 171.3 | 33.5 | -35.6 | 0 | 0 | 0 | 111 | L5 V320 Y325 | L5-P299 HydrophobicContact CD1-CG 4.21Å; P299-V320 VanDerWaalsContact O-CG1 3.29Å; P299-V320 WeakPolarHBondContact O-CG1 3.49Å; P299-Y325 HydrophobicContact CG-CD1 4.38Å; P299-Y325 HydrophobicContact CG-CE1 3.66Å; P299-Y325 HydrophobicContact CG-CE2 4.1Å | ||
| 300 | G | 88.5 | Confident | 90.2 | Very high | 39 Ų | 39 | 43.6 Ų | 43.6 | 40% | 0.402 | 25% | 0.245 | S | C | . | . | S | Bend | trans | 112.3 | 176 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | N281 D321 | N281-G300 PolarHBondContact ND2-O 3.47Å; G300-D321 VanDerWaalsContact CA-OD2 3.23Å; G300-D321 WeakPolarHBondContact CA-OD2 3.3Å |
| 301 | K | 88.8 | Confident | 89.6 | Confident | 182 Ų | 182 | 48.5 Ų | 48.5 | 79% | 0.791 | 27% | 0.268 | S | S | * | . | S | Bend | trans | -99.1 | -49.2 | -175.3 | -65.5 | -178.4 | 179.6 | -179.4 | 0 | 112.2 | N281 D321 | N281-K301 VanDerWaalsContact ND2-C 3.28Å; N281-K301 PolarHBondContact ND2-O 3.4Å; K301-D321 PolarHBondContact N-OD1 2.88Å; K301-D321 PolarHBondContact N-OD2 3.46Å |
| 302 | C | 90.3 | Very high | 88.7 | Confident | 63 Ų | 63 | 45.7 Ų | 45.7 | 43% | 0.426 | 26% | 0.262 | S | S | . | . | trans | -117.7 | 106 | -171.5 | -55.8 | 0 | 0 | 0 | 0 | 111.3 | V320 D321 | C302-V320 CarbonylContact O-C 3.49Å; C302-V320 WeakPolarHBondContact O-CA 3.33Å; C302-D321 WeakPolarHBondContact CB-OD1 3.35Å; C302-D321 PolarHBondContact N-OD1 2.97Å; C302-D321 PolarHBondContact O-N 3.16Å | ||
| 303 | L | 94.3 | Very high | 87.9 | Confident | 8 Ų | 8 | 42.1 Ų | 42.1 | 4% | 0.042 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 125.1 | 170.6 | 168.1 | 71.1 | 0 | 0 | 0 | 109.7 | T256 A270 N281 L298 L318 V320 | T256-L303 WeakPolarHBondContact OG1-CD2 3.32Å; A270-L303 HydrophobicContact CB-CD2 3.68Å; N281-L303 HydrophobicContact CB-CB 4.28Å; L298-L303 HydrophobicContact CD1-CD1 3.94Å; L298-L303 HydrophobicContact CD1-CD2 4.34Å; L303-L318 HydrophobicContact CD1-CD2 4.04Å; L303-V320 HydrophobicContact CB-CG2 4.43Å; L303-V320 HydrophobicContact CD1-CG2 3.76Å |
| 304 | T | 94.2 | Very high | 87.7 | Confident | 44 Ų | 44 | 41 Ų | 41 | 27% | 0.27 | 24% | 0.241 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -118 | -35 | -172.6 | 52.4 | 0 | 0 | 0 | 0 | 114.8 | L17 A319 | L17-T304 WeakPolarHBondContact O-CB 3.29Å; L17-T304 VanDerWaalsContact O-CG2 3.25Å; L17-T304 WeakPolarHBondContact O-CG2 3.34Å; L17-T304 PolarHBondContact O-OG1 3.33Å; T304-A319 PolarHBondContact N-O 3.08Å; T304-A319 PolarHBondContact OG1-O 3Å |
| 305 | A | 94.7 | Very high | 87.6 | Confident | 10 Ų | 10 | 41.2 Ų | 41.2 | 8% | 0.083 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.3 | 152.4 | -178.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | A20 C257 L318 A319 | A20-A305 HydrophobicContact CB-CB 3.98Å; C257-A305 VanDerWaalsContact SG-C 3.57Å; A305-L318 WeakPolarHBondContact O-CA 3.47Å; A305-A319 HydrophobicContact CB-CB 4.09Å; A305-A319 PolarHBondContact O-N 3.02Å |
| 306 | C | 94.9 | Very high | 87.7 | Confident | 12 Ų | 12 | 39 Ų | 39 | 8% | 0.081 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 141.7 | 170.3 | 67.2 | 0 | 0 | 0 | 0 | 109.9 | C257 C259 A270 L316 A317 L318 | C257-C306 PolarHBondContact SG-N 3.27Å; C257-C306 VanDerWaalsContact SG-N 3.42Å; C257-C306 PolarHBondContact SG-SG 3.46Å; C259-C306 PolarHBondContact SG-SG 2.89Å; A270-C306 HydrophobicContact CB-CB 4.33Å; C306-L316 HydrophobicContact CB-CD1 4.46Å; C306-A317 CarbonylContact C-O 3.57Å; C306-A317 WeakPolarHBondContact CA-O 3.39Å; C306-L318 HydrophobicContact CB-CD2 3.47Å; C306-L318 VanDerWaalsContact CB-CD2 3.47Å |
| 307 | T | 94.5 | Very high | 87.8 | Confident | 15 Ų | 15 | 38.3 Ų | 38.3 | 9% | 0.092 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.1 | 141.6 | -179.9 | -177.2 | 0 | 0 | 0 | 0 | 111.2 | W22 L316 A317 | W22-T307 HydrophobicContact CB-CG2 3.72Å; W22-T307 WeakPolarHBondContact CB-OG1 3.39Å; W22-T307 PolarHBondContact N-OG1 3.46Å; T307-L316 WeakPolarHBondContact O-CD1 3.49Å; T307-A317 HydrophobicContact CG2-CB 3.91Å; T307-A317 PolarHBondContact N-O 2.96Å; T307-A317 PolarHBondContact O-N 3.46Å |
| 308 | W | 91.9 | Very high | 88 | Confident | 9 Ų | 9 | 33.2 Ų | 33.2 | 3% | 0.034 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 146 | 178.9 | -69.5 | 98.1 | 0 | 0 | 0 | 112.4 | W22 C259 W260 N261 M266 A268 F285 L316 L329 | W22-W308 WeakPolarHBondContact CB-O 3.29Å; C259-W308 PolarHBondContact O-NE1 3.1Å; C259-W308 VanDerWaalsContact O-NE1 3.1Å; C259-W308 PolarHBondContact SG-NE1 3.04Å; W260-W308 VanDerWaalsContact C-CD1 3.48Å; N261-W308 HydrophobicContact CB-CD2 3.73Å; N261-W308 HydrophobicContact CB-CE3 4.13Å; N261-W308 HydrophobicContact CB-CG 3.97Å; N261-W308 HydrophobicContact CB-CZ2 4.2Å; M266-W308 HydrophobicContact CE-CH2 4.12Å; A268-W308 HydrophobicContact CB-CZ2 3.8Å; F285-W308 HydrophobicContact CD1-CH2 4.12Å; F285-W308 AromaticContact CD1-CZ2 3.98Å; F285-W308 HydrophobicContact CD1-CZ2 3.98Å; F285-W308 AromaticContact CE1-CH2 3.84Å; F285-W308 HydrophobicContact CE1-CH2 3.84Å; F285-W308 AromaticContact CE1-CZ2 3.82Å; F285-W308 HydrophobicContact CE1-CZ2 3.82Å; W308-L316 HydrophobicContact CD2-CD1 3.6Å; W308-L316 HydrophobicContact CE3-CB 4.25Å; W308-L316 HydrophobicContact CE3-CD1 4.14Å; W308-L316 HydrophobicContact CG-CD1 3.86Å; W308-L316 HydrophobicContact CZ2-CD1 4.13Å; W308-L316 HydrophobicContact CZ3-CB 4.32Å; W308-L329 HydrophobicContact CH2-CD1 3.7Å; W308-L329 HydrophobicContact CH2-CD2 3.71Å; W308-L329 HydrophobicContact CH2-CG 4.3Å; W308-L329 HydrophobicContact CZ3-CD1 3.68Å; W308-L329 HydrophobicContact CZ3-CD2 4.35Å |
| 309 | E | 88.5 | Confident | 88.2 | Confident | 17 Ų | 17 | 32.8 Ų | 32.8 | 8% | 0.079 | 19% | 0.194 | C | C | . | . | trans | -71.3 | 147.4 | 160.4 | -170 | 179.6 | -147.1 | 0 | 0 | 110.1 | W22 S313 R315 | W22-E309 HydrophobicContact CD2-CB 3.8Å; W22-E309 HydrophobicContact CD2-CG 4.26Å; W22-E309 HydrophobicContact CE3-CB 3.91Å; W22-E309 HydrophobicContact CH2-CB 3.79Å; W22-E309 HydrophobicContact CH2-CG 4.18Å; W22-E309 HydrophobicContact CZ2-CB 3.66Å; W22-E309 HydrophobicContact CZ2-CG 3.59Å; W22-E309 HydrophobicContact CZ3-CB 3.9Å; E309-S313 WeakPolarHBondContact OE2-CB 3.47Å; E309-S313 PolarHBondContact OE2-OG 3.33Å; E309-R315 HydrophobicContact CB-CB 4.19Å; E309-R315 PolarHBondContact N-O 3.31Å; E309-R315 IonicContact OE1-CZ 3.06Å; E309-R315 IonicContact OE1-NE 2.81Å; E309-R315 IonicContact OE1-NH1 3.6Å; E309-R315 PolarHBondContact OE1-NH1 3.05Å; E309-R315 IonicContact OE1-NH2 3.6Å; E309-R315 PolarHBondContact OE1-NH2 3.48Å; E309-R315 WeakPolarHBondContact OE2-CB 3.28Å; E309-R315 IonicContact OE2-CZ 3.29Å; E309-R315 IonicContact OE2-NE 3.67Å; E309-R315 PolarHBondContact OE2-NE 2.88Å; E309-R315 IonicContact OE2-NH1 2.88Å; E309-R315 PolarHBondContact OE2-NH1 3.43Å; E309-R315 IonicContact OE2-NH2 3.49Å; E309-R315 PolarHBondContact OE2-NH2 3.24Å | ||
| 310 | G | 79.8 | Confident | 88.4 | Confident | 1 Ų | 1 | 30 Ų | 30 | 1% | 0.01 | 18% | 0.177 | C | C | . | . | S | Bend | trans | -88.9 | -158.8 | 172.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | K24 E262 S313 | K24-G310 CarbonylContact O-C 3.47Å; K24-G310 WeakPolarHBondContact O-CA 3.29Å; E262-G310 VanDerWaalsContact CD-CA 3.48Å; E262-G310 WeakPolarHBondContact OE2-CA 3.32Å; G310-S313 WeakPolarHBondContact O-CB 3.3Å; G310-S313 PolarHBondContact O-N 3.47Å |
| 311 | N | 73.2 | Confident | 88.7 | Confident | 115 Ų | 115 | 29.7 Ų | 29.7 | 62% | 0.615 | 17% | 0.166 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 52.1 | 41.5 | -169.5 | -59.4 | -37.7 | 0 | 0 | 0 | 115.9 | K24 E25 E262 S313 | K24-N311 PolarHBondContact O-N 3.22Å; E25-N311 PolarHBondContact O-ND2 3.28Å; E262-N311 PolarHBondContact OE1-N 3.44Å; E262-N311 VanDerWaalsContact OE2-CA 3.31Å; E262-N311 WeakPolarHBondContact OE2-CA 3.39Å; E262-N311 PolarHBondContact OE2-N 3.18Å; N311-S313 PolarHBondContact O-N 3.39Å |
| 312 | G | 67.8 | Low | 88.9 | Confident | 38 Ų | 38 | 21.5 Ų | 21.5 | 39% | 0.392 | 13% | 0.131 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 64.9 | 21.2 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | E262 | E262-G312 PolarHBondContact OE2-N 3.13Š|
| 313 | S | 74.9 | Confident | 89.1 | Confident | 17 Ų | 17 | 20.8 Ų | 20.8 | 12% | 0.119 | 12% | 0.121 | C | C | . | . | trans | -78.3 | 146 | 179.9 | -171.1 | 0 | 0 | 0 | 0 | 111.2 | E309 G310 N311 R315 | E309-S313 WeakPolarHBondContact OE2-CB 3.47Å; E309-S313 PolarHBondContact OE2-OG 3.33Å; G310-S313 WeakPolarHBondContact O-CB 3.3Å; G310-S313 PolarHBondContact O-N 3.47Å; N311-S313 PolarHBondContact O-N 3.39Å; S313-R315 VanDerWaalsContact C-N 3.33Å; S313-R315 PolarHBondContact OG-NE 3.21Å | ||
| 314 | L | 80.4 | Confident | 89.1 | Confident | 28 Ų | 28 | 20.4 Ų | 20.4 | 15% | 0.147 | 12% | 0.119 | C | C | . | . | trans | -103.5 | 37.7 | 178.4 | -64.2 | -177.5 | 0 | 0 | 0 | 110.8 | M266 L329 P331 | M266-L314 HydrophobicContact CE-CD2 3.48Å; M266-L314 VanDerWaalsContact CE-CD2 3.48Å; L314-L329 HydrophobicContact CB-CB 4.13Å; L314-L329 VanDerWaalsContact CB-O 3.29Å; L314-L329 WeakPolarHBondContact CB-O 3.36Å; L314-L329 PolarHBondContact O-N 3.33Å; L314-P331 HydrophobicContact CD1-CB 4.34Å; L314-P331 VanDerWaalsContact CD1-CD 3.44Å; L314-P331 HydrophobicContact CD1-CG 3.72Å | ||
| 315 | R | 87.9 | Confident | 89.1 | Confident | 33 Ų | 33 | 19.2 Ų | 19.2 | 13% | 0.125 | 11% | 0.109 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 134.6 | 178 | -66 | -170 | -92.2 | 142.6 | 0.3 | 110.2 | W22 L54 E309 S313 A327 N328 | W22-R315 HydrophobicContact CH2-CB 4.14Å; W22-R315 HydrophobicContact CZ3-CB 4.36Å; L54-R315 HydrophobicContact CD2-CG 4.37Å; E309-R315 HydrophobicContact CB-CB 4.19Å; E309-R315 PolarHBondContact N-O 3.31Å; E309-R315 IonicContact OE1-CZ 3.06Å; E309-R315 IonicContact OE1-NE 2.81Å; E309-R315 IonicContact OE1-NH1 3.6Å; E309-R315 PolarHBondContact OE1-NH1 3.05Å; E309-R315 IonicContact OE1-NH2 3.6Å; E309-R315 PolarHBondContact OE1-NH2 3.48Å; E309-R315 WeakPolarHBondContact OE2-CB 3.28Å; E309-R315 IonicContact OE2-CZ 3.29Å; E309-R315 IonicContact OE2-NE 3.67Å; E309-R315 PolarHBondContact OE2-NE 2.88Å; E309-R315 IonicContact OE2-NH1 2.88Å; E309-R315 PolarHBondContact OE2-NH1 3.43Å; E309-R315 IonicContact OE2-NH2 3.49Å; E309-R315 PolarHBondContact OE2-NH2 3.24Å; S313-R315 VanDerWaalsContact C-N 3.33Å; S313-R315 PolarHBondContact OG-NE 3.21Å; R315-A327 WeakPolarHBondContact CA-O 3.19Å; R315-N328 WeakPolarHBondContact CG-OD1 3.48Å |
| 316 | L | 92 | Very high | 89 | Confident | 0 Ų | 0 | 19 Ų | 19 | 0% | 0 | 11% | 0.107 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 134.1 | 179.9 | -175.1 | 80.2 | 0 | 0 | 0 | 108.9 | A268 V283 F285 C306 T307 W308 L318 F326 A327 L329 | A268-L316 HydrophobicContact CB-CD1 4.35Å; V283-L316 HydrophobicContact CG1-CD2 4.12Å; F285-L316 HydrophobicContact CE1-CD2 4.07Å; F285-L316 HydrophobicContact CZ-CD2 4.12Å; C306-L316 HydrophobicContact CB-CD1 4.46Å; T307-L316 WeakPolarHBondContact O-CD1 3.49Å; W308-L316 HydrophobicContact CD2-CD1 3.6Å; W308-L316 HydrophobicContact CE3-CB 4.25Å; W308-L316 HydrophobicContact CE3-CD1 4.14Å; W308-L316 HydrophobicContact CG-CD1 3.86Å; W308-L316 HydrophobicContact CZ2-CD1 4.13Å; W308-L316 HydrophobicContact CZ3-CB 4.32Å; L316-L318 HydrophobicContact CD2-CD1 3.97Å; L316-L318 HydrophobicContact CD2-CD2 3.92Å; L316-L318 HydrophobicContact CD2-CG 3.88Å; L316-L318 HydrophobicContact CG-CG 4.25Å; L316-F326 CarbonylContact O-C 3.44Å; L316-F326 VanDerWaalsContact O-CA 3.31Å; L316-F326 WeakPolarHBondContact O-CA 3.45Å; L316-A327 HydrophobicContact CB-CB 4.38Å; L316-A327 PolarHBondContact N-O 3.16Å; L316-A327 PolarHBondContact O-N 3.48Å; L316-L329 HydrophobicContact CB-CD1 4.27Å |
| 317 | A | 94.2 | Very high | 88.8 | Confident | 0 Ų | 0 | 18.4 Ų | 18.4 | 0% | 0 | 10% | 0.103 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 140.4 | 168.2 | 0 | 0 | 0 | 0 | 0 | 110.3 | W22 C306 T307 L324 Y325 F326 | W22-A317 HydrophobicContact CE3-CB 3.59Å; W22-A317 HydrophobicContact CZ3-CB 3.72Å; C306-A317 CarbonylContact C-O 3.57Å; C306-A317 WeakPolarHBondContact CA-O 3.39Å; T307-A317 HydrophobicContact CG2-CB 3.91Å; T307-A317 PolarHBondContact N-O 2.96Å; T307-A317 PolarHBondContact O-N 3.46Å; A317-L324 HydrophobicContact CB-CD1 4.27Å; A317-Y325 CarbonylContact C-O 3.53Å; A317-Y325 WeakPolarHBondContact CA-O 3.42Å; A317-F326 HydrophobicContact CB-CD1 3.96Å; A317-F326 HydrophobicContact CB-CE1 3.77Å; A317-F326 HydrophobicContact CB-CZ 4.48Å |
| 318 | L | 95.6 | Very high | 88.6 | Confident | 0 Ų | 0 | 18.2 Ų | 18.2 | 0% | 0 | 10% | 0.101 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 122.9 | -173.8 | -70.9 | 157.6 | 0 | 0 | 0 | 109.7 | V283 L298 L303 A305 C306 L316 L324 Y325 A327 | V283-L318 HydrophobicContact CG2-CD1 3.92Å; V283-L318 HydrophobicContact CG2-CD2 3.68Å; V283-L318 HydrophobicContact CG2-CG 4.45Å; L298-L318 HydrophobicContact CD1-CD1 3.81Å; L298-L318 HydrophobicContact CD1-CD2 4.13Å; L298-L318 HydrophobicContact CD1-CG 4.4Å; L298-L318 HydrophobicContact CD2-CD1 3.57Å; L298-L318 HydrophobicContact CG-CD1 4.32Å; L303-L318 HydrophobicContact CD1-CD2 4.04Å; A305-L318 WeakPolarHBondContact O-CA 3.47Å; C306-L318 HydrophobicContact CB-CD2 3.47Å; C306-L318 VanDerWaalsContact CB-CD2 3.47Å; L316-L318 HydrophobicContact CD2-CD1 3.97Å; L316-L318 HydrophobicContact CD2-CD2 3.92Å; L316-L318 HydrophobicContact CD2-CG 3.88Å; L316-L318 HydrophobicContact CG-CG 4.25Å; L318-L324 WeakPolarHBondContact O-CA 3.35Å; L318-Y325 PolarHBondContact N-O 3.2Å; L318-Y325 PolarHBondContact O-N 3.23Å; L318-A327 HydrophobicContact CD1-CB 4.46Å |
| 319 | A | 95.7 | Very high | 88.3 | Confident | 0 Ų | 0 | 17.8 Ų | 17.8 | 0% | 0 | 10% | 0.1 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 114 | 174.4 | 0 | 0 | 0 | 0 | 0 | 109.6 | L17 A20 T304 A305 | L17-A319 HydrophobicContact CB-CB 3.87Å; L17-A319 HydrophobicContact CD1-CB 3.96Å; A20-A319 HydrophobicContact CB-CB 4.18Å; T304-A319 PolarHBondContact N-O 3.08Å; T304-A319 PolarHBondContact OG1-O 3Å; A305-A319 HydrophobicContact CB-CB 4.09Å; A305-A319 PolarHBondContact O-N 3.02Å |
| 320 | V | 95 | Very high | 88.1 | Confident | 0 Ų | 0 | 17.4 Ų | 17.4 | 0% | 0 | 10% | 0.097 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 120.1 | 178.6 | -169.2 | 0 | 0 | 0 | 0 | 110 | L298 P299 C302 L303 S322 F323 Y325 | L298-V320 HydrophobicContact CD1-CG2 4.23Å; P299-V320 VanDerWaalsContact O-CG1 3.29Å; P299-V320 WeakPolarHBondContact O-CG1 3.49Å; C302-V320 CarbonylContact O-C 3.49Å; C302-V320 WeakPolarHBondContact O-CA 3.33Å; L303-V320 HydrophobicContact CB-CG2 4.43Å; L303-V320 HydrophobicContact CD1-CG2 3.76Å; V320-S322 PolarHBondContact O-N 3.39Å; V320-F323 PolarHBondContact N-O 3.48Å; V320-F323 WeakPolarHBondContact O-CB 3.11Å; V320-F323 PolarHBondContact O-N 3.27Å; V320-F323 VanDerWaalsContact O-O 3.13Å; V320-Y325 HydrophobicContact CB-CD2 3.96Å; V320-Y325 HydrophobicContact CB-CE2 4Å; V320-Y325 HydrophobicContact CG2-CD2 4.01Å; V320-Y325 HydrophobicContact CG2-CE2 4.47Å |
| 321 | D | 93.7 | Very high | 88.1 | Confident | 32 Ų | 32 | 18.5 Ų | 18.5 | 17% | 0.171 | 10% | 0.104 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 50.7 | -118.8 | -172.5 | -56.6 | -44.7 | 0 | 0 | 0 | 111 | K16 L17 G300 K301 C302 | K16-D321 CarbonylContact C-O 3.6Å; K16-D321 WeakPolarHBondContact CA-O 3.3Å; L17-D321 PolarHBondContact N-O 3.1Å; G300-D321 VanDerWaalsContact CA-OD2 3.23Å; G300-D321 WeakPolarHBondContact CA-OD2 3.3Å; K301-D321 PolarHBondContact N-OD1 2.88Å; K301-D321 PolarHBondContact N-OD2 3.46Å; C302-D321 WeakPolarHBondContact CB-OD1 3.35Å; C302-D321 PolarHBondContact N-OD1 2.97Å; C302-D321 PolarHBondContact O-N 3.16Å |
| 322 | S | 93.8 | Very high | 88.5 | Confident | 9 Ų | 9 | 18.1 Ų | 18.1 | 6% | 0.063 | 10% | 0.095 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -100.8 | 23.4 | 176.2 | 59 | 0 | 0 | 0 | 0 | 113.2 | I11 A15 V320 | I11-S322 VanDerWaalsContact CB-O 3.29Å; I11-S322 WeakPolarHBondContact CB-O 3.47Å; I11-S322 WeakPolarHBondContact CG1-O 3.42Å; I11-S322 PolarHBondContact N-O 2.77Å; A15-S322 WeakPolarHBondContact O-CA 3.25Å; A15-S322 WeakPolarHBondContact O-CB 3.2Å; V320-S322 PolarHBondContact O-N 3.39Å |
| 323 | F | 95 | Very high | 89.3 | Confident | 48 Ų | 48 | 17.7 Ų | 17.7 | 21% | 0.211 | 8% | 0.082 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 140.9 | -175.9 | -57.2 | -73.4 | 0 | 0 | 0 | 112.1 | K8 I9 A10 V320 Y325 | K8-F323 HydrophobicContact CD-CD1 4.22Å; K8-F323 VanDerWaalsContact CE-CG 3.41Å; K8-F323 HydrophobicContact CG-CB 4.49Å; K8-F323 HydrophobicContact CG-CD1 4.22Å; I9-F323 WeakPolarHBondContact O-CA 3.42Å; A10-F323 HydrophobicContact CB-CD1 3.8Å; A10-F323 HydrophobicContact CB-CE1 3.67Å; V320-F323 PolarHBondContact N-O 3.48Å; V320-F323 WeakPolarHBondContact O-CB 3.11Å; V320-F323 PolarHBondContact O-N 3.27Å; V320-F323 VanDerWaalsContact O-O 3.13Å; F323-Y325 HydrophobicContact CB-CD2 4.06Å; F323-Y325 HydrophobicContact CB-CE2 3.53Å; F323-Y325 HydrophobicContact CD2-CE2 4.46Å; F323-Y325 HydrophobicContact CG-CE2 4.28Å |
| 324 | L | 93.9 | Very high | 90 | Very high | 0 Ų | 0 | 19.4 Ų | 19.4 | 0% | 0 | 9% | 0.087 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 111.5 | 165.5 | -167.8 | 71.2 | 0 | 0 | 0 | 108.5 | K8 I9 L17 A20 V29 L41 A317 L318 F326 | K8-L324 WeakPolarHBondContact CA-O 3.5Å; I9-L324 HydrophobicContact CB-CB 4.38Å; I9-L324 PolarHBondContact N-O 3.45Å; I9-L324 PolarHBondContact O-N 2.87Å; L17-L324 HydrophobicContact CD1-CB 4.39Å; A20-L324 HydrophobicContact CB-CD1 4.37Å; V29-L324 HydrophobicContact CG1-CD2 3.99Å; L41-L324 HydrophobicContact CD1-CD2 3.8Å; A317-L324 HydrophobicContact CB-CD1 4.27Å; L318-L324 WeakPolarHBondContact O-CA 3.35Å; L324-F326 HydrophobicContact CB-CE2 4.46Å; L324-F326 HydrophobicContact CD2-CE1 4.34Å; L324-F326 HydrophobicContact CD2-CE2 3.75Å; L324-F326 HydrophobicContact CD2-CZ 3.41Å; L324-F326 VanDerWaalsContact CD2-CZ 3.41Å; L324-F326 HydrophobicContact CG-CE2 3.92Å; L324-F326 HydrophobicContact CG-CZ 3.95Å |
| 325 | Y | 93.9 | Very high | 90.7 | Very high | 20 Ų | 20 | 20.4 Ų | 20.4 | 8% | 0.078 | 9% | 0.089 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 141.4 | 174.7 | -71.5 | -82.7 | 0 | 0 | 0 | 110.1 | L5 K8 P299 A317 L318 V320 F323 | L5-Y325 HydrophobicContact CD1-CD1 4.19Å; K8-Y325 HydrophobicContact CB-CD1 4.07Å; K8-Y325 HydrophobicContact CB-CE1 4.01Å; K8-Y325 HydrophobicContact CD-CE1 3.68Å; K8-Y325 WeakPolarHBondContact CE-OH 3.39Å; K8-Y325 HydrophobicContact CG-CD1 4.16Å; K8-Y325 HydrophobicContact CG-CE1 3.74Å; K8-Y325 PolarHBondContact NZ-OH 2.88Å; P299-Y325 HydrophobicContact CG-CD1 4.38Å; P299-Y325 HydrophobicContact CG-CE1 3.66Å; P299-Y325 HydrophobicContact CG-CE2 4.1Å; A317-Y325 CarbonylContact C-O 3.53Å; A317-Y325 WeakPolarHBondContact CA-O 3.42Å; L318-Y325 PolarHBondContact N-O 3.2Å; L318-Y325 PolarHBondContact O-N 3.23Å; V320-Y325 HydrophobicContact CB-CD2 3.96Å; V320-Y325 HydrophobicContact CB-CE2 4Å; V320-Y325 HydrophobicContact CG2-CD2 4.01Å; V320-Y325 HydrophobicContact CG2-CE2 4.47Å; F323-Y325 HydrophobicContact CB-CD2 4.06Å; F323-Y325 HydrophobicContact CB-CE2 3.53Å; F323-Y325 HydrophobicContact CD2-CE2 4.46Å; F323-Y325 HydrophobicContact CG-CE2 4.28Å |
| 326 | F | 92.1 | Very high | 90.9 | Very high | 5 Ų | 5 | 19.3 Ų | 19.3 | 2% | 0.022 | 9% | 0.087 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 129.8 | 172.2 | -64.1 | -92.6 | 0 | 0 | 0 | 108.6 | L5 S6 K7 I9 W22 V29 L43 L316 A317 L324 | L5-F326 CarbonylContact C-O 3.57Å; L5-F326 WeakPolarHBondContact CA-O 3.27Å; S6-F326 PolarHBondContact N-O 2.88Å; S6-F326 PolarHBondContact OG-O 2.83Å; K7-F326 HydrophobicContact CB-CB 4.09Å; K7-F326 HydrophobicContact CB-CD2 4Å; K7-F326 HydrophobicContact CB-CG 4.36Å; K7-F326 HydrophobicContact CG-CD2 4.49Å; K7-F326 PolarHBondContact N-O 2.84Å; K7-F326 PolarHBondContact O-N 3.32Å; I9-F326 HydrophobicContact CD1-CE2 3.61Å; I9-F326 HydrophobicContact CD1-CZ 4.14Å; I9-F326 HydrophobicContact CG1-CE2 3.93Å; W22-F326 HydrophobicContact CE3-CE1 4.48Å; W22-F326 AromaticContact CH2-CD1 3.68Å; W22-F326 HydrophobicContact CH2-CD1 3.68Å; W22-F326 AromaticContact CH2-CE1 3.7Å; W22-F326 HydrophobicContact CH2-CE1 3.7Å; W22-F326 HydrophobicContact CZ2-CE1 4.38Å; W22-F326 AromaticContact CZ3-CD1 3.7Å; W22-F326 HydrophobicContact CZ3-CD1 3.7Å; W22-F326 AromaticContact CZ3-CE1 3.77Å; W22-F326 HydrophobicContact CZ3-CE1 3.77Å; V29-F326 HydrophobicContact CG2-CE1 4.3Å; L43-F326 HydrophobicContact CD1-CD1 3.88Å; L43-F326 HydrophobicContact CD1-CE1 3.36Å; L43-F326 HydrophobicContact CD1-CE2 4.16Å; L43-F326 HydrophobicContact CD1-CG 4.45Å; L43-F326 HydrophobicContact CD1-CZ 3.51Å; L316-F326 CarbonylContact O-C 3.44Å; L316-F326 VanDerWaalsContact O-CA 3.31Å; L316-F326 WeakPolarHBondContact O-CA 3.45Å; A317-F326 HydrophobicContact CB-CD1 3.96Å; A317-F326 HydrophobicContact CB-CE1 3.77Å; A317-F326 HydrophobicContact CB-CZ 4.48Å; L324-F326 HydrophobicContact CB-CE2 4.46Å; L324-F326 HydrophobicContact CD2-CE1 4.34Å; L324-F326 HydrophobicContact CD2-CE2 3.75Å; L324-F326 HydrophobicContact CD2-CZ 3.41Å; L324-F326 VanDerWaalsContact CD2-CZ 3.41Å; L324-F326 HydrophobicContact CG-CE2 3.92Å; L324-F326 HydrophobicContact CG-CZ 3.95Å |
| 327 | A | 91.4 | Very high | 91 | Very high | 0 Ų | 0 | 20.8 Ų | 20.8 | 0% | 0 | 9% | 0.093 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 140.8 | 174.1 | 0 | 0 | 0 | 0 | 0 | 109.7 | Y4 L5 L296 R315 L316 L318 | Y4-A327 CarbonylContact O-C 3.59Å; Y4-A327 VanDerWaalsContact O-CA 3.27Å; Y4-A327 WeakPolarHBondContact O-CA 3.44Å; L5-A327 HydrophobicContact CD2-CB 4.12Å; L296-A327 HydrophobicContact CD2-CB 3.59Å; R315-A327 WeakPolarHBondContact CA-O 3.19Å; L316-A327 HydrophobicContact CB-CB 4.38Å; L316-A327 PolarHBondContact N-O 3.16Å; L316-A327 PolarHBondContact O-N 3.48Å; L318-A327 HydrophobicContact CD1-CB 4.46Å |
| 328 | N | 89.3 | Confident | 90.8 | Very high | 11 Ų | 11 | 20.8 Ų | 20.8 | 6% | 0.059 | 9% | 0.093 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 132.1 | 170.4 | -70.3 | 4.6 | 0 | 0 | 0 | 108 | S3 Y4 S6 L54 R315 | S3-N328 WeakPolarHBondContact CA-O 3.36Å; Y4-N328 HydrophobicContact CD1-CB 4.48Å; Y4-N328 HydrophobicContact CE1-CB 3.84Å; Y4-N328 HydrophobicContact CE2-CB 3.94Å; Y4-N328 PolarHBondContact N-O 3.14Å; Y4-N328 VanDerWaalsContact N-O 3.07Å; Y4-N328 PolarHBondContact O-N 3.37Å; Y4-N328 WeakPolarHBondContact OH-CB 3.4Å; Y4-N328 PolarHBondContact OH-ND2 3.06Å; Y4-N328 VanDerWaalsContact OH-ND2 3.1Å; S6-N328 WeakPolarHBondContact CB-OD1 3.38Å; S6-N328 PolarHBondContact OG-OD1 2.6Å; L54-N328 HydrophobicContact CD2-CB 4.16Å; R315-N328 WeakPolarHBondContact CG-OD1 3.48Å |
| 329 | L | 87.2 | Confident | 90.3 | Very high | 0 Ų | 0 | 23.3 Ų | 23.3 | 0% | 0 | 11% | 0.111 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 141.3 | 172.2 | -68.2 | 84.9 | 0 | 0 | 0 | 109.9 | M1 M266 F285 W308 L314 L316 | M1-L329 HydrophobicContact SD-CD2 3.97Å; M266-L329 HydrophobicContact CE-CD2 4.38Å; M266-L329 HydrophobicContact SD-CD2 4.3Å; F285-L329 HydrophobicContact CD1-CD2 3.68Å; F285-L329 HydrophobicContact CD2-CD2 3.97Å; F285-L329 HydrophobicContact CE1-CD1 4.15Å; F285-L329 HydrophobicContact CE1-CD2 3.61Å; F285-L329 HydrophobicContact CE1-CG 4.35Å; F285-L329 HydrophobicContact CE2-CD2 3.89Å; F285-L329 HydrophobicContact CE2-CG 4.36Å; F285-L329 HydrophobicContact CG-CD2 3.86Å; F285-L329 HydrophobicContact CZ-CD1 3.98Å; F285-L329 HydrophobicContact CZ-CD2 3.71Å; F285-L329 HydrophobicContact CZ-CG 4.1Å; W308-L329 HydrophobicContact CH2-CD1 3.7Å; W308-L329 HydrophobicContact CH2-CD2 3.71Å; W308-L329 HydrophobicContact CH2-CG 4.3Å; W308-L329 HydrophobicContact CZ3-CD1 3.68Å; W308-L329 HydrophobicContact CZ3-CD2 4.35Å; L314-L329 HydrophobicContact CB-CB 4.13Å; L314-L329 VanDerWaalsContact CB-O 3.29Å; L314-L329 WeakPolarHBondContact CB-O 3.36Å; L314-L329 PolarHBondContact O-N 3.33Å; L316-L329 HydrophobicContact CB-CD1 4.27Å |
| 330 | R | 83.9 | Confident | 89.8 | Confident | 8 Ų | 8 | 26 Ų | 26 | 3% | 0.03 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 115 | 176.1 | -171.4 | 175 | -171.1 | 77 | -4.3 | 108.6 | M1 F2 W606 S641 Y643 D658 | M1-R330 WeakPolarHBondContact CG-O 3.48Å; F2-R330 HydrophobicContact CB-CB 4.4Å; F2-R330 PolarHBondContact N-O 3.05Å; F2-R330 PolarHBondContact O-N 2.96Å; R330-W606 VanDerWaalsContact CZ-CZ2 3.5Å; R330-W606 VanDerWaalsContact NE-CZ2 3.35Å; R330-S641 PolarHBondContact NH1-O 3.17Å; R330-S641 PolarHBondContact NH2-O 2.9Å; R330-Y643 WeakPolarHBondContact CG-OH 3.5Å; R330-Y643 VanDerWaalsContact CZ-CZ 3.47Å; R330-Y643 VanDerWaalsContact NE-CZ 3.34Å; R330-Y643 PolarHBondContact NE-OH 3.47Å; R330-Y643 VanDerWaalsContact NH2-CZ 3.34Å; R330-D658 IonicContact CZ-OD2 2.73Å; R330-D658 IonicContact NH1-OD2 2.9Å; R330-D658 PolarHBondContact NH1-OD2 2.92Å; R330-D658 IonicContact NH2-OD2 3.84Å |
| 331 | P | 79.1 | Confident | 89.2 | Confident | 24 Ų | 24 | 29.4 Ų | 29.4 | 16% | 0.156 | 14% | 0.143 | C | C | . | . | trans | -70.7 | 156.3 | -178.7 | 31.1 | -30.5 | 0 | 0 | 0 | 109.3 | L314 Y333 Y643 | L314-P331 HydrophobicContact CD1-CB 4.34Å; L314-P331 VanDerWaalsContact CD1-CD 3.44Å; L314-P331 HydrophobicContact CD1-CG 3.72Å; P331-Y333 HydrophobicContact CB-CE1 4.39Å; P331-Y333 HydrophobicContact CG-CD2 4.46Å; P331-Y333 HydrophobicContact CG-CE1 3.86Å; P331-Y333 HydrophobicContact CG-CE2 3.72Å; P331-Y333 VanDerWaalsContact CG-OH 3.25Å; P331-Y333 WeakPolarHBondContact CG-OH 3.09Å; P331-Y643 PolarHBondContact O-OH 2.87Å | ||
| 332 | Y | 81.5 | Confident | 89 | Confident | 108 Ų | 108 | 30.1 Ų | 30.1 | 42% | 0.424 | 15% | 0.146 | S | C | . | . | trans | -94.6 | 97.6 | 172 | 178.7 | -118.5 | 0 | 0 | 0 | 108.5 | ||||
| 333 | Y | 85.9 | Confident | 88.9 | Confident | 29 Ų | 29 | 29.7 Ų | 29.7 | 11% | 0.114 | 14% | 0.144 | C | C | . | . | trans | -73.3 | 143 | 172.2 | -60 | -63.3 | 0 | 0 | 0 | 110.2 | P331 Y643 L657 D658 V661 | P331-Y333 HydrophobicContact CB-CE1 4.39Å; P331-Y333 HydrophobicContact CG-CD2 4.46Å; P331-Y333 HydrophobicContact CG-CE1 3.86Å; P331-Y333 HydrophobicContact CG-CE2 3.72Å; P331-Y333 VanDerWaalsContact CG-OH 3.25Å; P331-Y333 WeakPolarHBondContact CG-OH 3.09Å; Y333-Y643 AromaticContact CD2-CE2 3.91Å; Y333-Y643 HydrophobicContact CD2-CE2 3.91Å; Y333-Y643 AromaticContact CD2-CZ 3.76Å; Y333-Y643 WeakPolarHBondContact CD2-OH 3.37Å; Y333-Y643 HydrophobicContact CE2-CE2 4.09Å; Y333-L657 HydrophobicContact CD2-CB 3.66Å; Y333-L657 HydrophobicContact CD2-CD1 4.2Å; Y333-L657 HydrophobicContact CE2-CB 3.95Å; Y333-L657 HydrophobicContact CG-CB 4.48Å; Y333-D658 VanDerWaalsContact CE2-OD1 3.25Å; Y333-D658 WeakPolarHBondContact CE2-OD1 3.4Å; Y333-D658 PolarHBondContact OH-OD1 2.86Å; Y333-V661 HydrophobicContact CD1-CG2 3.89Å; Y333-V661 HydrophobicContact CE1-CB 3.93Å; Y333-V661 HydrophobicContact CE1-CG1 3.79Å; Y333-V661 HydrophobicContact CE1-CG2 3.7Å; Y333-V661 HydrophobicContact CG-CG2 4.43Å | ||
| 334 | K | 89.3 | Confident | 88.9 | Confident | 53 Ų | 53 | 27.4 Ų | 27.4 | 23% | 0.23 | 13% | 0.134 | C | C | . | . | trans | -87.5 | 112.3 | 169 | -53.6 | 178 | -175 | -169.7 | 0 | 106.7 | N347 L376 I377 I379 | K334-N347 PolarHBondContact O-N 2.89Å; K334-L376 HydrophobicContact CB-CD2 4.28Å; K334-L376 HydrophobicContact CD-CD2 4.17Å; K334-L376 HydrophobicContact CD-CG 4.13Å; K334-L376 PolarHBondContact NZ-O 3.36Å; K334-I377 VanDerWaalsContact CD-O 3.26Å; K334-I377 WeakPolarHBondContact CD-O 3.31Å; K334-I377 WeakPolarHBondContact CE-O 3.38Å; K334-I377 PolarHBondContact NZ-O 2.93Å; K334-I379 HydrophobicContact CB-CD1 4.35Å; K334-I379 HydrophobicContact CB-CG1 4.2Å | ||
| 335 | W | 93.6 | Very high | 88.9 | Confident | 48 Ų | 48 | 27.4 Ų | 27.4 | 18% | 0.182 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.1 | 159.9 | -175.2 | 75.8 | -75.4 | 0 | 0 | 0 | 110.1 | I344 I345 V655 L657 | W335-I344 HydrophobicContact CE3-CG2 4.48Å; W335-I345 CarbonylContact C-O 3.43Å; W335-I345 WeakPolarHBondContact CA-O 3.4Å; W335-I345 VanDerWaalsContact CB-O 3.23Å; W335-I345 WeakPolarHBondContact CB-O 3.46Å; W335-V655 HydrophobicContact CH2-CG1 4.39Å; W335-V655 HydrophobicContact CZ3-CG1 4.11Å; W335-L657 HydrophobicContact CB-CD1 4.17Å; W335-L657 HydrophobicContact CD2-CD1 3.62Å; W335-L657 HydrophobicContact CE3-CD1 4.34Å; W335-L657 HydrophobicContact CG-CD1 3.49Å; W335-L657 VanDerWaalsContact CG-CD1 3.49Å |
| 336 | A | 93.4 | Very high | 88.8 | Confident | 11 Ų | 11 | 27 Ų | 27 | 9% | 0.091 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.6 | 165.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | I345 I379 A381 | A336-I345 PolarHBondContact N-O 2.75Å; A336-I345 PolarHBondContact O-N 2.83Å; A336-I379 HydrophobicContact CB-CG2 3.77Å; A336-A381 HydrophobicContact CB-CB 3.57Å |
| 337 | Y | 93 | Very high | 88.7 | Confident | 31 Ų | 31 | 27.3 Ų | 27.3 | 12% | 0.122 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 130.5 | 176.1 | 173.6 | -114.9 | 0 | 0 | 0 | 110.3 | T343 I344 L363 Y645 E646 | Y337-T343 WeakPolarHBondContact CD2-O 3.49Å; Y337-I344 HydrophobicContact CD2-CG1 3.97Å; Y337-I344 HydrophobicContact CE2-CG1 4.48Å; Y337-L363 HydrophobicContact CE2-CD1 4.24Å; Y337-Y645 AromaticContact CD1-CD2 3.66Å; Y337-Y645 HydrophobicContact CD1-CD2 3.66Å; Y337-Y645 HydrophobicContact CD1-CE2 4.49Å; Y337-Y645 HydrophobicContact CD1-CG 4.44Å; Y337-Y645 AromaticContact CD2-CD2 3.83Å; Y337-Y645 HydrophobicContact CD2-CD2 3.83Å; Y337-Y645 HydrophobicContact CD2-CE2 4.26Å; Y337-Y645 HydrophobicContact CD2-CG 4.45Å; Y337-Y645 AromaticContact CE1-CD2 3.59Å; Y337-Y645 HydrophobicContact CE1-CD2 3.59Å; Y337-Y645 HydrophobicContact CE1-CE2 4.03Å; Y337-Y645 AromaticContact CE2-CD2 3.78Å; Y337-Y645 HydrophobicContact CE2-CD2 3.78Å; Y337-Y645 AromaticContact CE2-CE2 3.79Å; Y337-Y645 HydrophobicContact CE2-CE2 3.79Å; Y337-Y645 AromaticContact CG-CD2 3.75Å; Y337-Y645 HydrophobicContact CG-CD2 3.75Å; Y337-Y645 HydrophobicContact CG-CG 4.27Å; Y337-Y645 AromaticContact CZ-CD2 3.64Å; Y337-Y645 AromaticContact CZ-CE2 3.64Å; Y337-E646 HydrophobicContact CE1-CB 4Å; Y337-E646 HydrophobicContact CE1-CG 4.47Å; Y337-E646 WeakPolarHBondContact CE1-OE2 3.37Å; Y337-E646 PolarHBondContact OH-OE2 3.41Å |
| 338 | S | 90.9 | Very high | 88.3 | Confident | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 113.2 | 172 | 160.8 | 0 | 0 | 0 | 0 | 108.7 | N342 T343 E383 | S338-N342 CarbonylContact O-C 3.6Å; S338-N342 WeakPolarHBondContact O-CA 3.42Å; S338-N342 PolarHBondContact O-N 2.91Å; S338-N342 VanDerWaalsContact O-N 3.08Å; S338-T343 PolarHBondContact N-O 3.16Å; S338-T343 PolarHBondContact O-N 3Å; S338-E383 VanDerWaalsContact CB-O 3.31Å; S338-E383 WeakPolarHBondContact CB-O 3.41Å; S338-E383 PolarHBondContact OG-O 3.33Å |
| 339 | S | 84.9 | Confident | 87.4 | Confident | 53 Ų | 53 | 30.1 Ų | 30.1 | 37% | 0.371 | 15% | 0.153 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -79 | -23.9 | -171.8 | 56.2 | 0 | 0 | 0 | 0 | 114.8 | N342 | S339-N342 PolarHBondContact O-OD1 3.48Š|
| 340 | T | 84.5 | Confident | 86.2 | Confident | 55 Ų | 55 | 35.1 Ų | 35.1 | 34% | 0.337 | 17% | 0.172 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77.7 | -48 | -179.4 | 48.3 | 0 | 0 | 0 | 0 | 111.4 | K364 E383 D384 | T340-K364 PolarHBondContact O-NZ 2.82Å; T340-E383 HydrophobicContact CG2-CB 4.02Å; T340-E383 HydrophobicContact CG2-CG 4.44Å; T340-E383 PolarHBondContact OG1-O 3.19Å; T340-E383 VanDerWaalsContact OG1-O 3.07Å; T340-D384 WeakPolarHBondContact CB-OD1 2.84Å; T340-D384 PolarHBondContact OG1-N 3.45Å; T340-D384 PolarHBondContact OG1-OD1 3.39Å |
| 341 | E | 82.8 | Confident | 84.9 | Confident | 73 Ų | 73 | 39.2 Ų | 39.2 | 34% | 0.341 | 20% | 0.199 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88.6 | -2.4 | 178.8 | -69.3 | -61.8 | 158.7 | 0 | 0 | 113.1 | T343 N362 A406 | E341-T343 PolarHBondContact O-N 3.33Å; E341-T343 PolarHBondContact O-OG1 2.99Å; E341-N362 PolarHBondContact O-ND2 3.39Å; E341-N362 VanDerWaalsContact O-ND2 3.08Å; E341-A406 HydrophobicContact CB-CB 3.71Å; E341-A406 HydrophobicContact CG-CB 3.87Å |
| 342 | N | 90 | Very high | 83.6 | Confident | 46 Ų | 46 | 40.9 Ų | 40.9 | 25% | 0.246 | 21% | 0.205 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 46.7 | 56.5 | -172.4 | -63.7 | 13.2 | 0 | 0 | 0 | 111.2 | S338 S339 L363 K364 | S338-N342 CarbonylContact O-C 3.6Å; S338-N342 WeakPolarHBondContact O-CA 3.42Å; S338-N342 PolarHBondContact O-N 2.91Å; S338-N342 VanDerWaalsContact O-N 3.08Å; S339-N342 PolarHBondContact O-OD1 3.48Å; N342-L363 HydrophobicContact CB-CB 4.14Å; N342-L363 VanDerWaalsContact O-CB 3.27Å; N342-L363 WeakPolarHBondContact O-CB 3.43Å; N342-L363 VanDerWaalsContact O-CG 3.22Å; N342-L363 WeakPolarHBondContact O-CG 3.31Å; N342-L363 PolarHBondContact O-N 3.33Å; N342-K364 HydrophobicContact CB-CD 4.47Å; N342-K364 HydrophobicContact CB-CG 4.17Å; N342-K364 VanDerWaalsContact CG-CE 3.41Å; N342-K364 VanDerWaalsContact ND2-CE 3.25Å; N342-K364 WeakPolarHBondContact ND2-CE 3.43Å |
| 343 | T | 92.4 | Very high | 82.6 | Confident | 1 Ų | 1 | 38.6 Ų | 38.6 | 1% | 0.006 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 126.9 | -178.9 | -56.7 | 0 | 0 | 0 | 0 | 110.5 | Y337 S338 E341 I345 F360 W361 N362 A406 | Y337-T343 WeakPolarHBondContact CD2-O 3.49Å; S338-T343 PolarHBondContact N-O 3.16Å; S338-T343 PolarHBondContact O-N 3Å; E341-T343 PolarHBondContact O-N 3.33Å; E341-T343 PolarHBondContact O-OG1 2.99Å; T343-I345 HydrophobicContact CG2-CD1 4.23Å; T343-I345 HydrophobicContact CG2-CG1 4.34Å; T343-I345 WeakPolarHBondContact O-CD1 3.21Å; T343-F360 HydrophobicContact CG2-CB 4.25Å; T343-W361 CarbonylContact C-O 3.56Å; T343-W361 VanDerWaalsContact CA-O 3.27Å; T343-W361 WeakPolarHBondContact CA-O 3.36Å; T343-W361 WeakPolarHBondContact CG2-O 3.41Å; T343-N362 PolarHBondContact OG1-ND2 2.97Å; T343-A406 VanDerWaalsContact CG2-O 3.26Å; T343-A406 WeakPolarHBondContact CG2-O 3.39Å |
| 344 | I | 93.7 | Very high | 81.5 | Confident | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 127.1 | 170.2 | -60.2 | -178.8 | 0 | 0 | 0 | 108.3 | W335 Y337 Y346 W361 L363 Y645 V655 L673 | W335-I344 HydrophobicContact CE3-CG2 4.48Å; Y337-I344 HydrophobicContact CD2-CG1 3.97Å; Y337-I344 HydrophobicContact CE2-CG1 4.48Å; I344-Y346 HydrophobicContact CG2-CD1 4.19Å; I344-W361 HydrophobicContact CB-CE3 4.29Å; I344-W361 HydrophobicContact CD1-CE3 4.15Å; I344-W361 HydrophobicContact CD1-CZ3 4.13Å; I344-W361 PolarHBondContact N-O 3.09Å; I344-W361 PolarHBondContact O-N 2.92Å; I344-L363 HydrophobicContact CD1-CD1 4.07Å; I344-L363 HydrophobicContact CD1-CD2 3.94Å; I344-L363 HydrophobicContact CD1-CG 4.42Å; I344-L363 HydrophobicContact CG1-CD1 4.08Å; I344-L363 HydrophobicContact CG1-CD2 4.15Å; I344-L363 HydrophobicContact CG1-CG 4.28Å; I344-Y645 HydrophobicContact CD1-CE1 4.31Å; I344-V655 HydrophobicContact CD1-CB 3.95Å; I344-V655 HydrophobicContact CD1-CG1 4.3Å; I344-V655 HydrophobicContact CD1-CG2 3.96Å; I344-L673 HydrophobicContact CD1-CD2 3.71Å |
| 345 | I | 93.8 | Very high | 80.7 | Confident | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 120 | 176.1 | -55.3 | 92.7 | 0 | 0 | 0 | 107.8 | W335 A336 T343 I358 T359 F360 I379 V386 | W335-I345 CarbonylContact C-O 3.43Å; W335-I345 WeakPolarHBondContact CA-O 3.4Å; W335-I345 VanDerWaalsContact CB-O 3.23Å; W335-I345 WeakPolarHBondContact CB-O 3.46Å; A336-I345 PolarHBondContact N-O 2.75Å; A336-I345 PolarHBondContact O-N 2.83Å; T343-I345 HydrophobicContact CG2-CD1 4.23Å; T343-I345 HydrophobicContact CG2-CG1 4.34Å; T343-I345 WeakPolarHBondContact O-CD1 3.21Å; I345-I358 HydrophobicContact CG2-CG2 3.57Å; I345-T359 VanDerWaalsContact CA-O 3.3Å; I345-T359 WeakPolarHBondContact CA-O 3.12Å; I345-F360 HydrophobicContact CG1-CD1 3.62Å; I345-F360 HydrophobicContact CG1-CE1 3.88Å; I345-F360 HydrophobicContact CG1-CG 4.24Å; I345-F360 HydrophobicContact CG2-CD1 4.47Å; I345-F360 HydrophobicContact CG2-CE1 4.33Å; I345-F360 HydrophobicContact CG2-CE2 4.49Å; I345-F360 HydrophobicContact CG2-CZ 4.33Å; I345-I379 HydrophobicContact CG2-CD1 4.32Å; I345-I379 HydrophobicContact CG2-CG2 4.12Å; I345-V386 HydrophobicContact CD1-CG1 4.42Å; I345-V386 HydrophobicContact CD1-CG2 3.53Å; I345-V386 HydrophobicContact CG1-CG1 4.24Å; I345-V386 HydrophobicContact CG1-CG2 3.95Å; I345-V386 HydrophobicContact CG2-CG1 4.34Å |
| 346 | Y | 92.5 | Very high | 80.1 | Confident | 11 Ų | 11 | 40.9 Ų | 40.9 | 4% | 0.043 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.8 | 147.1 | 179.8 | 65.6 | -83.2 | 0 | 0 | 0 | 111.6 | I344 Y348 I358 T359 L657 L660 V661 | I344-Y346 HydrophobicContact CG2-CD1 4.19Å; Y346-Y348 HydrophobicContact CE2-CD1 4.18Å; Y346-I358 WeakPolarHBondContact O-CA 3.27Å; Y346-T359 HydrophobicContact CE1-CG2 3.81Å; Y346-T359 PolarHBondContact N-O 3.35Å; Y346-T359 VanDerWaalsContact N-O 3.12Å; Y346-T359 PolarHBondContact O-N 3.49Å; Y346-L657 HydrophobicContact CG-CD2 4.39Å; Y346-L660 HydrophobicContact CE2-CB 4.33Å; Y346-V661 HydrophobicContact CD2-CG2 4.36Å |
| 347 | N | 90.3 | Very high | 79.8 | Confident | 11 Ų | 11 | 40.4 Ų | 40.4 | 6% | 0.059 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 151.5 | 172.4 | 109.5 | 11.2 | 0 | 0 | 0 | 111.1 | K334 S357 I358 L376 I379 | K334-N347 PolarHBondContact O-N 2.89Å; N347-S357 CarbonylContact C-O 3.59Å; N347-S357 WeakPolarHBondContact CA-O 2.94Å; N347-I358 HydrophobicContact CB-CG1 4.41Å; N347-L376 HydrophobicContact CB-CD2 3.62Å; N347-L376 VanDerWaalsContact ND2-CD2 3.32Å; N347-L376 WeakPolarHBondContact ND2-CD2 3.37Å; N347-I379 HydrophobicContact CB-CD1 4.25Å |
| 348 | Y | 82.5 | Confident | 79.7 | Confident | 10 Ų | 10 | 38.9 Ų | 38.9 | 4% | 0.039 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 137.7 | 152.5 | 59.2 | -87.2 | 0 | 0 | 0 | 108.8 | Y346 S357 T359 V664 | Y346-Y348 HydrophobicContact CE2-CD1 4.18Å; Y348-S357 VanDerWaalsContact CE2-CB 3.41Å; Y348-S357 PolarHBondContact N-O 3.39Å; Y348-S357 PolarHBondContact O-N 3.01Å; Y348-T359 WeakPolarHBondContact CE1-OG1 3.46Å; Y348-V664 HydrophobicContact CD2-CG1 4.24Å; Y348-V664 HydrophobicContact CD2-CG2 4.03Å; Y348-V664 HydrophobicContact CE2-CB 4.48Å; Y348-V664 HydrophobicContact CE2-CG1 3.6Å; Y348-V664 HydrophobicContact CE2-CG2 4.21Å |
| 349 | S | 70.4 | Confident | 79.8 | Confident | 61 Ų | 61 | 39.1 Ų | 39.1 | 43% | 0.427 | 21% | 0.207 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -82 | 134.6 | 172.2 | -53.5 | 0 | 0 | 0 | 0 | 108.4 | P351 H356 | S349-P351 WeakPolarHBondContact O-CD 3.33Å; S349-H356 PolarHBondContact OG-CE1 3.34Å; S349-H356 PolarHBondContact OG-ND1 3.43Å |
| 350 | R | 62.7 | Low | 80.1 | Confident | 105 Ų | 105 | 36.8 Ų | 36.8 | 40% | 0.396 | 19% | 0.19 | S | C | . | . | P | Polyproline II helix | trans | -72.9 | 123.6 | 165.5 | -72 | 176.8 | -178.2 | 173.5 | -3.5 | 107.3 | H352 T353 E355 | R350-H352 PolarHBondContact O-N 3.47Å; R350-T353 WeakPolarHBondContact CB-OG1 3.46Å; R350-T353 PolarHBondContact O-N 3.44Å; R350-T353 VanDerWaalsContact O-N 3.13Å; R350-T353 PolarHBondContact O-OG1 2.84Å; R350-T353 VanDerWaalsContact O-OG1 3.04Å; R350-E355 PolarHBondContact N-O 3.34Å; R350-E355 IonicContact NH1-OE2 2.69Å |
| 351 | P | 55 | Low | 80.5 | Confident | 93 Ų | 93 | 34.2 Ų | 34.2 | 60% | 0.604 | 17% | 0.174 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -51.4 | 137.1 | -179.8 | -0.8 | -3.1 | 0 | 0 | 0 | 110 | S349 T353 | S349-P351 WeakPolarHBondContact O-CD 3.33Å; P351-T353 VanDerWaalsContact C-N 3.31Å; P351-T353 PolarHBondContact O-N 3.41Å |
| 352 | H | 52.4 | Low | 80.9 | Confident | 60 Ų | 60 | 31.6 Ų | 31.6 | 28% | 0.278 | 16% | 0.163 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 67.7 | 16.6 | 179.1 | -39.3 | -62.3 | 0 | 0 | 0 | 116.6 | Y212 L223 R350 | Y212-H352 AromaticContact CE1-CE1 3.89Å; L223-H352 HydrophobicContact CD1-CB 4.49Å; R350-H352 PolarHBondContact O-N 3.47Å |
| 353 | T | 61.3 | Low | 80.9 | Confident | 60 Ų | 60 | 30.7 Ų | 30.7 | 37% | 0.368 | 16% | 0.158 | S | C | . | . | S | Bend | trans | -127.8 | 154.9 | 168.6 | 69.3 | 0 | 0 | 0 | 0 | 111.6 | R350 P351 E355 | R350-T353 WeakPolarHBondContact CB-OG1 3.46Å; R350-T353 PolarHBondContact O-N 3.44Å; R350-T353 VanDerWaalsContact O-N 3.13Å; R350-T353 PolarHBondContact O-OG1 2.84Å; R350-T353 VanDerWaalsContact O-OG1 3.04Å; P351-T353 VanDerWaalsContact C-N 3.31Å; P351-T353 PolarHBondContact O-N 3.41Å; T353-E355 PolarHBondContact O-N 3.34Å; T353-E355 PolarHBondContact OG1-N 3.36Å |
| 354 | F | 61.4 | Low | 80.7 | Confident | 86 Ų | 86 | 37 Ų | 37 | 38% | 0.377 | 19% | 0.185 | S | C | . | . | S | Bend | trans | -82.4 | 7.6 | 168.5 | -65.9 | -73.1 | 0 | 0 | 0 | 113 | L223 F289 H375 | L223-F354 HydrophobicContact CD2-CZ 4.04Å; F289-F354 HydrophobicContact CE1-CE1 4.27Å; F289-F354 HydrophobicContact CE1-CZ 4.12Å; F289-F354 HydrophobicContact CE2-CE1 4.19Å; F289-F354 AromaticContact CZ-CE1 3.5Å; F289-F354 HydrophobicContact CZ-CE1 3.5Å; F289-F354 VanDerWaalsContact CZ-CE1 3.5Å; F289-F354 AromaticContact CZ-CZ 3.68Å; F289-F354 HydrophobicContact CZ-CZ 3.68Å; F354-H375 AromaticContact CD1-CE1 3.18Å; F354-H375 WeakPolarHBondContact CD1-CE1 3.48Å; F354-H375 AromaticContact CD1-ND1 3.7Å; F354-H375 AromaticContact CE1-CE1 3.75Å; F354-H375 AromaticContact CG-CE1 3.44Å; F354-H375 VanDerWaalsContact CG-CE1 3.44Å; F354-H375 WeakPolarHBondContact CG-CE1 3.47Å; F354-H375 AromaticContact CG-NE2 3.92Å; F354-H375 PolarHBondContact O-N 3.45Å |
| 355 | E | 73.6 | Confident | 80.3 | Confident | 65 Ų | 65 | 40.9 Ų | 40.9 | 30% | 0.304 | 21% | 0.209 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.1 | 123.8 | 177.2 | -67.5 | -177.5 | 176.9 | 0 | 0 | 109.9 | R350 T353 H374 | R350-E355 PolarHBondContact N-O 3.34Å; R350-E355 IonicContact NH1-OE2 2.69Å; T353-E355 PolarHBondContact O-N 3.34Å; T353-E355 PolarHBondContact OG1-N 3.36Å; E355-H374 IonicContact OE1-CE1 2.6Å |
| 356 | H | 80.2 | Confident | 80 | Confident | 27 Ų | 27 | 44 Ų | 44 | 13% | 0.125 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 126.4 | 170.3 | -62.8 | -87.6 | 0 | 0 | 0 | 108.6 | S349 T372 V373 L376 | S349-H356 PolarHBondContact OG-CE1 3.34Å; S349-H356 PolarHBondContact OG-ND1 3.43Å; H356-T372 WeakPolarHBondContact O-CA 3.3Å; H356-V373 HydrophobicContact CB-CG2 4.14Å; H356-V373 PolarHBondContact N-O 2.96Å; H356-V373 PolarHBondContact O-N 3.32Å; H356-L376 HydrophobicContact CB-CB 3.9Å; H356-L376 HydrophobicContact CB-CD2 4.34Å; H356-L376 PolarHBondContact CD2-N 2.98Å; H356-L376 VanDerWaalsContact CD2-N 3.3Å |
| 357 | S | 87.5 | Confident | 79.7 | Confident | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 125.1 | 170.6 | -62.7 | 0 | 0 | 0 | 0 | 108.6 | N347 Y348 | N347-S357 CarbonylContact C-O 3.59Å; N347-S357 WeakPolarHBondContact CA-O 2.94Å; Y348-S357 VanDerWaalsContact CE2-CB 3.41Å; Y348-S357 PolarHBondContact N-O 3.39Å; Y348-S357 PolarHBondContact O-N 3.01Å |
| 358 | I | 91.3 | Very high | 79.7 | Confident | 0 Ų | 0 | 52.2 Ų | 52.2 | 0% | 0 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 122.1 | -178.1 | -60.3 | 169.8 | 0 | 0 | 0 | 107.9 | I345 Y346 N347 F360 I370 I371 V373 L376 I379 L388 | I345-I358 HydrophobicContact CG2-CG2 3.57Å; Y346-I358 WeakPolarHBondContact O-CA 3.27Å; N347-I358 HydrophobicContact CB-CG1 4.41Å; I358-F360 HydrophobicContact CG2-CD2 4.36Å; I358-F360 HydrophobicContact CG2-CE2 3.87Å; I358-I370 CarbonylContact O-C 3.43Å; I358-I370 WeakPolarHBondContact O-CA 3.46Å; I358-I371 PolarHBondContact N-O 3.24Å; I358-I371 PolarHBondContact O-N 3.32Å; I358-V373 HydrophobicContact CD1-CB 4.43Å; I358-V373 HydrophobicContact CD1-CG1 4.09Å; I358-V373 HydrophobicContact CD1-CG2 3.45Å; I358-V373 VanDerWaalsContact CD1-CG2 3.45Å; I358-V373 HydrophobicContact CG1-CG2 4.25Å; I358-L376 HydrophobicContact CD1-CD1 4.02Å; I358-L376 HydrophobicContact CD1-CD2 3.94Å; I358-L376 HydrophobicContact CG1-CD2 4.12Å; I358-I379 HydrophobicContact CG1-CD1 4.49Å; I358-I379 HydrophobicContact CG2-CD1 4.27Å; I358-L388 HydrophobicContact CD1-CD1 3.45Å; I358-L388 VanDerWaalsContact CD1-CD1 3.45Å; I358-L388 HydrophobicContact CD1-CD2 3.89Å; I358-L388 HydrophobicContact CD1-CG 4.24Å; I358-L388 HydrophobicContact CG2-CD2 4.37Å |
| 359 | T | 91.8 | Very high | 80 | Confident | 4 Ų | 4 | 55.8 Ų | 55.8 | 3% | 0.025 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 122.8 | -178.2 | -54.8 | 0 | 0 | 0 | 0 | 109.8 | I345 Y346 Y348 T368 K369 I370 | I345-T359 VanDerWaalsContact CA-O 3.3Å; I345-T359 WeakPolarHBondContact CA-O 3.12Å; Y346-T359 HydrophobicContact CE1-CG2 3.81Å; Y346-T359 PolarHBondContact N-O 3.35Å; Y346-T359 VanDerWaalsContact N-O 3.12Å; Y346-T359 PolarHBondContact O-N 3.49Å; Y348-T359 WeakPolarHBondContact CE1-OG1 3.46Å; T359-T368 HydrophobicContact CG2-CG2 4.14Å; T359-K369 WeakPolarHBondContact CA-O 3.36Å; T359-I370 HydrophobicContact CG2-CG1 4.21Å |
| 360 | F | 92.9 | Very high | 80.9 | Confident | 4 Ų | 4 | 57.1 Ų | 57.1 | 2% | 0.018 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 107.7 | 168.6 | -66.6 | -106 | 0 | 0 | 0 | 107.8 | T343 I345 I358 T368 K369 I371 V386 Y404 A406 | T343-F360 HydrophobicContact CG2-CB 4.25Å; I345-F360 HydrophobicContact CG1-CD1 3.62Å; I345-F360 HydrophobicContact CG1-CE1 3.88Å; I345-F360 HydrophobicContact CG1-CG 4.24Å; I345-F360 HydrophobicContact CG2-CD1 4.47Å; I345-F360 HydrophobicContact CG2-CE1 4.33Å; I345-F360 HydrophobicContact CG2-CE2 4.49Å; I345-F360 HydrophobicContact CG2-CZ 4.33Å; I358-F360 HydrophobicContact CG2-CD2 4.36Å; I358-F360 HydrophobicContact CG2-CE2 3.87Å; F360-T368 CarbonylContact O-C 3.56Å; F360-T368 VanDerWaalsContact O-CA 3.24Å; F360-T368 WeakPolarHBondContact O-CA 3.18Å; F360-K369 HydrophobicContact CB-CB 4.35Å; F360-K369 PolarHBondContact N-O 3.28Å; F360-K369 PolarHBondContact O-N 2.9Å; F360-I371 HydrophobicContact CD2-CD1 4.19Å; F360-I371 HydrophobicContact CD2-CG1 4.44Å; F360-I371 HydrophobicContact CE2-CD1 3.61Å; F360-I371 HydrophobicContact CE2-CG1 4.15Å; F360-I371 HydrophobicContact CZ-CD1 4.31Å; F360-V386 HydrophobicContact CE1-CB 4.1Å; F360-V386 HydrophobicContact CE1-CG1 4.16Å; F360-V386 HydrophobicContact CE1-CG2 4.04Å; F360-V386 HydrophobicContact CZ-CG1 4.44Å; F360-Y404 HydrophobicContact CZ-CD1 4.42Å; F360-Y404 HydrophobicContact CZ-CG 4.23Å; F360-A406 WeakPolarHBondContact CD1-O 3.24Å |
| 361 | W | 92.5 | Very high | 82.2 | Confident | 1 Ų | 1 | 53.6 Ų | 53.6 | 0% | 0.004 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 108.9 | -179.4 | 175.6 | 32.9 | 0 | 0 | 0 | 110.8 | T343 I344 L363 N366 T368 L660 P668 N669 L673 | T343-W361 CarbonylContact C-O 3.56Å; T343-W361 VanDerWaalsContact CA-O 3.27Å; T343-W361 WeakPolarHBondContact CA-O 3.36Å; T343-W361 WeakPolarHBondContact CG2-O 3.41Å; I344-W361 HydrophobicContact CB-CE3 4.29Å; I344-W361 HydrophobicContact CD1-CE3 4.15Å; I344-W361 HydrophobicContact CD1-CZ3 4.13Å; I344-W361 PolarHBondContact N-O 3.09Å; I344-W361 PolarHBondContact O-N 2.92Å; W361-L363 HydrophobicContact CD2-CD2 3.71Å; W361-L363 HydrophobicContact CE3-CD2 3.81Å; W361-L363 HydrophobicContact CG-CD2 4.4Å; W361-L363 HydrophobicContact CH2-CD2 3.92Å; W361-L363 HydrophobicContact CZ2-CD2 3.81Å; W361-L363 HydrophobicContact CZ3-CD2 3.92Å; W361-N366 PolarHBondContact NE1-OD1 2.96Å; W361-T368 HydrophobicContact CB-CG2 4.06Å; W361-T368 HydrophobicContact CG-CG2 4.12Å; W361-L660 HydrophobicContact CZ3-CD1 4.2Å; W361-P668 HydrophobicContact CB-CG 4.25Å; W361-P668 HydrophobicContact CD2-CB 3.76Å; W361-P668 HydrophobicContact CD2-CG 3.64Å; W361-P668 HydrophobicContact CE3-CB 3.97Å; W361-P668 HydrophobicContact CE3-CG 4.26Å; W361-P668 HydrophobicContact CG-CB 4.28Å; W361-P668 HydrophobicContact CG-CG 3.61Å; W361-P668 HydrophobicContact CH2-CB 4.1Å; W361-P668 HydrophobicContact CZ2-CB 3.92Å; W361-P668 HydrophobicContact CZ2-CG 4.41Å; W361-P668 HydrophobicContact CZ3-CB 4.13Å; W361-N669 VanDerWaalsContact CH2-O 3.24Å; W361-N669 WeakPolarHBondContact CH2-O 3.39Å; W361-N669 WeakPolarHBondContact CZ2-O 3.35Å; W361-L673 HydrophobicContact CH2-CD1 3.94Å; W361-L673 HydrophobicContact CH2-CD2 3.72Å; W361-L673 HydrophobicContact CH2-CG 3.7Å; W361-L673 HydrophobicContact CZ2-CD1 4.31Å; W361-L673 HydrophobicContact CZ3-CD2 3.74Å; W361-L673 HydrophobicContact CZ3-CG 4.25Å |
| 362 | N | 90.8 | Very high | 83.7 | Confident | 18 Ų | 18 | 53 Ų | 53 | 10% | 0.096 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 116.2 | 178.8 | -176.4 | -71.5 | 0 | 0 | 0 | 110.3 | E341 T343 K364 T365 N366 K367 | E341-N362 PolarHBondContact O-ND2 3.39Å; E341-N362 VanDerWaalsContact O-ND2 3.08Å; T343-N362 PolarHBondContact OG1-ND2 2.97Å; N362-K364 VanDerWaalsContact C-N 3.33Å; N362-K364 PolarHBondContact O-N 3.37Å; N362-K364 PolarHBondContact OD1-N 3.45Å; N362-K364 VanDerWaalsContact OD1-N 3.09Å; N362-T365 WeakPolarHBondContact CB-OG1 3.34Å; N362-T365 VanDerWaalsContact CG-OG1 3.29Å; N362-T365 PolarHBondContact OD1-N 3.44Å; N362-T365 PolarHBondContact OD1-OG1 3.35Å; N362-N366 WeakPolarHBondContact O-CA 2.99Å; N362-N366 PolarHBondContact O-N 2.85Å; N362-K367 PolarHBondContact N-O 3.41Å |
| 363 | L | 89.7 | Confident | 85.3 | Confident | 28 Ų | 28 | 51 Ų | 51 | 15% | 0.147 | 26% | 0.258 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72.4 | -23 | -173.8 | -56.7 | -178.3 | 0 | 0 | 0 | 113.5 | Y337 N342 I344 W361 L673 | Y337-L363 HydrophobicContact CE2-CD1 4.24Å; N342-L363 HydrophobicContact CB-CB 4.14Å; N342-L363 VanDerWaalsContact O-CB 3.27Å; N342-L363 WeakPolarHBondContact O-CB 3.43Å; N342-L363 VanDerWaalsContact O-CG 3.22Å; N342-L363 WeakPolarHBondContact O-CG 3.31Å; N342-L363 PolarHBondContact O-N 3.33Å; I344-L363 HydrophobicContact CD1-CD1 4.07Å; I344-L363 HydrophobicContact CD1-CD2 3.94Å; I344-L363 HydrophobicContact CD1-CG 4.42Å; I344-L363 HydrophobicContact CG1-CD1 4.08Å; I344-L363 HydrophobicContact CG1-CD2 4.15Å; I344-L363 HydrophobicContact CG1-CG 4.28Å; W361-L363 HydrophobicContact CD2-CD2 3.71Å; W361-L363 HydrophobicContact CE3-CD2 3.81Å; W361-L363 HydrophobicContact CG-CD2 4.4Å; W361-L363 HydrophobicContact CH2-CD2 3.92Å; W361-L363 HydrophobicContact CZ2-CD2 3.81Å; W361-L363 HydrophobicContact CZ3-CD2 3.92Å; L363-L673 HydrophobicContact CD1-CD1 4.48Å; L363-L673 HydrophobicContact CD2-CD1 3.84Å; L363-L673 HydrophobicContact CD2-CD2 4.05Å |
| 364 | K | 87.5 | Confident | 86.3 | Confident | 132 Ų | 132 | 53.5 Ų | 53.5 | 57% | 0.574 | 26% | 0.264 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.2 | -40.5 | 179.3 | -68.6 | 174.6 | -172.9 | 162.4 | 0 | 111.9 | T340 N342 N362 | T340-K364 PolarHBondContact O-NZ 2.82Å; N342-K364 HydrophobicContact CB-CD 4.47Å; N342-K364 HydrophobicContact CB-CG 4.17Å; N342-K364 VanDerWaalsContact CG-CE 3.41Å; N342-K364 VanDerWaalsContact ND2-CE 3.25Å; N342-K364 WeakPolarHBondContact ND2-CE 3.43Å; N362-K364 VanDerWaalsContact C-N 3.33Å; N362-K364 PolarHBondContact O-N 3.37Å; N362-K364 PolarHBondContact OD1-N 3.45Å; N362-K364 VanDerWaalsContact OD1-N 3.09Å |
| 365 | T | 86.6 | Confident | 87.1 | Confident | 82 Ų | 82 | 52.6 Ų | 52.6 | 50% | 0.503 | 26% | 0.261 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.6 | -10.6 | -176.5 | 61 | 0 | 0 | 0 | 0 | 113.3 | N362 K367 | N362-T365 WeakPolarHBondContact CB-OG1 3.34Å; N362-T365 VanDerWaalsContact CG-OG1 3.29Å; N362-T365 PolarHBondContact OD1-N 3.44Å; N362-T365 PolarHBondContact OD1-OG1 3.35Å; T365-K367 PolarHBondContact O-N 3.42Å; T365-K367 VanDerWaalsContact O-N 3.1Å; T365-K367 PolarHBondContact OG1-N 3.49Å |
| 366 | N | 86.6 | Confident | 87.8 | Confident | 67 Ų | 67 | 49.7 Ų | 49.7 | 36% | 0.358 | 25% | 0.248 | S | C | . | . | trans | 52.2 | 22.4 | -170.4 | -156.9 | 32.5 | 0 | 0 | 0 | 114.4 | W361 N362 Q667 P668 | W361-N366 PolarHBondContact NE1-OD1 2.96Å; N362-N366 WeakPolarHBondContact O-CA 2.99Å; N362-N366 PolarHBondContact O-N 2.85Å; N366-Q667 PolarHBondContact O-NE2 2.84Å; N366-P668 PolarHBondContact OD1-O 3.42Å | ||
| 367 | K | 87.2 | Confident | 88.1 | Confident | 152 Ų | 152 | 49.5 Ų | 49.5 | 66% | 0.661 | 25% | 0.248 | S | C | * | . | trans | -87.3 | 145.5 | 176.1 | -67.8 | -174.5 | 179.2 | -178.7 | 0 | 110.1 | N362 T365 | N362-K367 PolarHBondContact N-O 3.41Å; T365-K367 PolarHBondContact O-N 3.42Å; T365-K367 VanDerWaalsContact O-N 3.1Å; T365-K367 PolarHBondContact OG1-N 3.49Å | ||
| 368 | T | 89 | Confident | 88.3 | Confident | 42 Ų | 42 | 50 Ų | 50 | 26% | 0.258 | 25% | 0.251 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 146.4 | 176.4 | 49 | 0 | 0 | 0 | 0 | 110.6 | T359 F360 W361 Q667 P668 | T359-T368 HydrophobicContact CG2-CG2 4.14Å; F360-T368 CarbonylContact O-C 3.56Å; F360-T368 VanDerWaalsContact O-CA 3.24Å; F360-T368 WeakPolarHBondContact O-CA 3.18Å; W361-T368 HydrophobicContact CB-CG2 4.06Å; W361-T368 HydrophobicContact CG-CG2 4.12Å; T368-Q667 VanDerWaalsContact OG1-CD 3.31Å; T368-Q667 PolarHBondContact OG1-NE2 3.06Å; T368-Q667 PolarHBondContact OG1-OE1 3.49Å; T368-P668 HydrophobicContact CG2-CG 3.44Å; T368-P668 VanDerWaalsContact CG2-CG 3.44Å |
| 369 | K | 88.5 | Confident | 88.4 | Confident | 85 Ų | 85 | 50.4 Ų | 50.4 | 37% | 0.37 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 130 | 166.8 | -171.3 | -179.1 | -172.9 | -179.6 | 0 | 108.7 | T359 F360 I407 G408 | T359-K369 WeakPolarHBondContact CA-O 3.36Å; F360-K369 HydrophobicContact CB-CB 4.35Å; F360-K369 PolarHBondContact N-O 3.28Å; F360-K369 PolarHBondContact O-N 2.9Å; K369-I407 WeakPolarHBondContact CD-O 3.49Å; K369-G408 WeakPolarHBondContact CE-O 3.46Å; K369-G408 PolarHBondContact NZ-O 2.84Å |
| 370 | I | 89.7 | Confident | 88.5 | Confident | 88 Ų | 88 | 50.6 Ų | 50.6 | 45% | 0.451 | 25% | 0.254 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 133.2 | -179.5 | -56.9 | 173.7 | 0 | 0 | 0 | 108.6 | I358 T359 | I358-I370 CarbonylContact O-C 3.43Å; I358-I370 WeakPolarHBondContact O-CA 3.46Å; T359-I370 HydrophobicContact CG2-CG1 4.21Å |
| 371 | I | 90.4 | Very high | 88.5 | Confident | 31 Ų | 31 | 51.4 Ų | 51.4 | 16% | 0.159 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 140.1 | 175.4 | -53.3 | -179.4 | 0 | 0 | 0 | 107.8 | I358 F360 V373 Y404 G408 | I358-I371 PolarHBondContact N-O 3.24Å; I358-I371 PolarHBondContact O-N 3.32Å; F360-I371 HydrophobicContact CD2-CD1 4.19Å; F360-I371 HydrophobicContact CD2-CG1 4.44Å; F360-I371 HydrophobicContact CE2-CD1 3.61Å; F360-I371 HydrophobicContact CE2-CG1 4.15Å; F360-I371 HydrophobicContact CZ-CD1 4.31Å; I371-V373 HydrophobicContact CG2-CG1 4.4Å; I371-Y404 HydrophobicContact CD1-CD1 3.9Å; I371-Y404 HydrophobicContact CD1-CE1 3.56Å; I371-G408 WeakPolarHBondContact CD1-O 3.26Å |
| 372 | T | 87.2 | Confident | 88.3 | Confident | 81 Ų | 81 | 51.9 Ų | 51.9 | 50% | 0.497 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 132.3 | 175.7 | 49 | 0 | 0 | 0 | 0 | 110.2 | H356 | H356-T372 WeakPolarHBondContact O-CA 3.3Å |
| 373 | V | 86.5 | Confident | 88 | Confident | 19 Ų | 19 | 55 Ų | 55 | 12% | 0.115 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 152.1 | 176.1 | -59 | 0 | 0 | 0 | 0 | 110.5 | H356 I358 I371 L376 L388 | H356-V373 HydrophobicContact CB-CG2 4.14Å; H356-V373 PolarHBondContact N-O 2.96Å; H356-V373 PolarHBondContact O-N 3.32Å; I358-V373 HydrophobicContact CD1-CB 4.43Å; I358-V373 HydrophobicContact CD1-CG1 4.09Å; I358-V373 HydrophobicContact CD1-CG2 3.45Å; I358-V373 VanDerWaalsContact CD1-CG2 3.45Å; I358-V373 HydrophobicContact CG1-CG2 4.25Å; I371-V373 HydrophobicContact CG2-CG1 4.4Å; V373-L376 HydrophobicContact CG2-CB 3.98Å; V373-L376 HydrophobicContact CG2-CD1 4.35Å; V373-L388 HydrophobicContact CG1-CD1 4.32Å |
| 374 | H | 81 | Confident | 87.8 | Confident | 111 Ų | 111 | 55 Ų | 55 | 51% | 0.514 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 137.7 | 172.6 | -66.3 | -67.7 | 0 | 0 | 0 | 110.5 | E355 L376 | E355-H374 IonicContact OE1-CE1 2.6Å; H374-L376 PolarHBondContact O-N 3.03Å |
| 375 | H | 79.3 | Confident | 87.9 | Confident | 67 Ų | 67 | 49.7 Ų | 49.7 | 31% | 0.31 | 26% | 0.255 | S | S | . | . | S | Bend | trans | 46 | 64.7 | 174.9 | -62.3 | -74.8 | 0 | 0 | 0 | 114.6 | F354 I377 C390 K391 | F354-H375 AromaticContact CD1-CE1 3.18Å; F354-H375 WeakPolarHBondContact CD1-CE1 3.48Å; F354-H375 AromaticContact CD1-ND1 3.7Å; F354-H375 AromaticContact CE1-CE1 3.75Å; F354-H375 AromaticContact CG-CE1 3.44Å; F354-H375 VanDerWaalsContact CG-CE1 3.44Å; F354-H375 WeakPolarHBondContact CG-CE1 3.47Å; F354-H375 AromaticContact CG-NE2 3.92Å; F354-H375 PolarHBondContact O-N 3.45Å; H375-I377 PolarHBondContact O-N 3.19Å; H375-C390 WeakPolarHBondContact O-CA 3.46Å; H375-K391 HydrophobicContact CB-CB 3.92Å; H375-K391 WeakPolarHBondContact CB-O 3.45Å; H375-K391 PolarHBondContact O-N 3.29Å |
| 376 | L | 87.4 | Confident | 88.2 | Confident | 5 Ų | 5 | 45.8 Ų | 45.8 | 3% | 0.026 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.1 | 122.9 | 174.1 | 178.5 | 66.6 | 0 | 0 | 0 | 109.9 | K334 N347 H356 I358 V373 H374 D378 I379 | K334-L376 HydrophobicContact CB-CD2 4.28Å; K334-L376 HydrophobicContact CD-CD2 4.17Å; K334-L376 HydrophobicContact CD-CG 4.13Å; K334-L376 PolarHBondContact NZ-O 3.36Å; N347-L376 HydrophobicContact CB-CD2 3.62Å; N347-L376 VanDerWaalsContact ND2-CD2 3.32Å; N347-L376 WeakPolarHBondContact ND2-CD2 3.37Å; H356-L376 HydrophobicContact CB-CB 3.9Å; H356-L376 HydrophobicContact CB-CD2 4.34Å; H356-L376 PolarHBondContact CD2-N 2.98Å; H356-L376 VanDerWaalsContact CD2-N 3.3Å; I358-L376 HydrophobicContact CD1-CD1 4.02Å; I358-L376 HydrophobicContact CD1-CD2 3.94Å; I358-L376 HydrophobicContact CG1-CD2 4.12Å; V373-L376 HydrophobicContact CG2-CB 3.98Å; V373-L376 HydrophobicContact CG2-CD1 4.35Å; H374-L376 PolarHBondContact O-N 3.03Å; L376-D378 WeakPolarHBondContact CD1-O 3.35Å; L376-I379 HydrophobicContact CD1-CG1 4.02Å; L376-I379 HydrophobicContact CD2-CD1 3.79Å; L376-I379 HydrophobicContact CD2-CG1 3.85Å; L376-I379 HydrophobicContact CG-CG1 4.38Å |
| 377 | I | 87.7 | Confident | 88.5 | Confident | 23 Ų | 23 | 42.6 Ų | 42.6 | 12% | 0.118 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | -50.5 | 175.7 | -64.5 | 162.1 | 0 | 0 | 0 | 110.8 | K334 H375 I389 K391 V399 E419 P420 | K334-I377 VanDerWaalsContact CD-O 3.26Å; K334-I377 WeakPolarHBondContact CD-O 3.31Å; K334-I377 WeakPolarHBondContact CE-O 3.38Å; K334-I377 PolarHBondContact NZ-O 2.93Å; H375-I377 PolarHBondContact O-N 3.19Å; I377-I389 WeakPolarHBondContact CA-O 3.49Å; I377-I389 HydrophobicContact CB-CB 4.38Å; I377-I389 HydrophobicContact CB-CG2 3.94Å; I377-I389 WeakPolarHBondContact CB-O 3.47Å; I377-I389 HydrophobicContact CD1-CG2 4.19Å; I377-I389 HydrophobicContact CG2-CG2 4.28Å; I377-I389 PolarHBondContact N-O 3.5Å; I377-K391 HydrophobicContact CD1-CB 3.97Å; I377-K391 HydrophobicContact CG1-CB 4.41Å; I377-V399 HydrophobicContact CD1-CB 4.3Å; I377-V399 HydrophobicContact CD1-CG1 3.74Å; I377-V399 HydrophobicContact CD1-CG2 3.53Å; I377-E419 HydrophobicContact CD1-CG 3.98Å; I377-P420 HydrophobicContact CG2-CG 4.17Å; I377-P420 WeakPolarHBondContact CG2-O 3.37Å |
| 378 | D | 91.2 | Very high | 88.9 | Confident | 11 Ų | 11 | 35.4 Ų | 35.4 | 6% | 0.059 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -157.4 | 163.9 | -178 | -160.3 | 13.4 | 0 | 0 | 0 | 112.3 | L376 I389 S423 | L376-D378 WeakPolarHBondContact CD1-O 3.35Å; D378-I389 HydrophobicContact CB-CB 4.42Å; D378-I389 HydrophobicContact CB-CD1 4.26Å; D378-I389 PolarHBondContact N-O 3.43Å; D378-I389 PolarHBondContact O-N 3.42Å; D378-S423 WeakPolarHBondContact OD2-CB 3.03Å; D378-S423 PolarHBondContact OD2-N 3.27Å; D378-S423 PolarHBondContact OD2-OG 3.45Å |
| 379 | I | 93.9 | Very high | 89.1 | Confident | 7 Ų | 7 | 33.4 Ų | 33.4 | 4% | 0.036 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 124.2 | 174.3 | -55.1 | -176.7 | 0 | 0 | 0 | 108.2 | K334 A336 I345 N347 I358 L376 V386 L388 | K334-I379 HydrophobicContact CB-CD1 4.35Å; K334-I379 HydrophobicContact CB-CG1 4.2Å; A336-I379 HydrophobicContact CB-CG2 3.77Å; I345-I379 HydrophobicContact CG2-CD1 4.32Å; I345-I379 HydrophobicContact CG2-CG2 4.12Å; N347-I379 HydrophobicContact CB-CD1 4.25Å; I358-I379 HydrophobicContact CG1-CD1 4.49Å; I358-I379 HydrophobicContact CG2-CD1 4.27Å; L376-I379 HydrophobicContact CD1-CG1 4.02Å; L376-I379 HydrophobicContact CD2-CD1 3.79Å; L376-I379 HydrophobicContact CD2-CG1 3.85Å; L376-I379 HydrophobicContact CG-CG1 4.38Å; I379-V386 HydrophobicContact CG2-CG1 4.07Å; I379-L388 HydrophobicContact CB-CD2 4.41Å; I379-L388 HydrophobicContact CD1-CD2 4.21Å; I379-L388 HydrophobicContact CG1-CD2 3.91Å; I379-L388 HydrophobicContact CG2-CD2 3.97Å |
| 380 | C | 93 | Very high | 89.2 | Confident | 8 Ų | 8 | 30.1 Ų | 30.1 | 5% | 0.054 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 151.1 | 168.5 | 53.7 | 0 | 0 | 0 | 0 | 110.8 | V386 C387 S423 M425 | C380-V386 CarbonylContact O-C 3.53Å; C380-V386 WeakPolarHBondContact O-CA 3.48Å; C380-C387 PolarHBondContact N-O 3.02Å; C380-C387 VanDerWaalsContact N-O 3.13Å; C380-C387 PolarHBondContact O-N 3.26Å; C380-S423 PolarHBondContact SG-OG 3.17Å; C380-S423 VanDerWaalsContact SG-OG 3.38Å; C380-M425 HydrophobicContact CB-CB 4.11Å |
| 381 | A | 92.3 | Very high | 89 | Confident | 22 Ų | 22 | 28.9 Ų | 28.9 | 18% | 0.182 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.4 | 148.5 | 177.8 | 0 | 0 | 0 | 0 | 0 | 110.3 | A336 Y385 V386 | A336-A381 HydrophobicContact CB-CB 3.57Å; A381-Y385 VanDerWaalsContact CA-O 3.32Å; A381-Y385 WeakPolarHBondContact CA-O 3.45Å; A381-V386 HydrophobicContact CB-CB 4.48Å; A381-V386 HydrophobicContact CB-CG2 3.97Å |
| 382 | S | 88.1 | Confident | 88.4 | Confident | 11 Ų | 11 | 28.4 Ų | 28.4 | 8% | 0.077 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.6 | 132.1 | 172.4 | -162.3 | 0 | 0 | 0 | 0 | 109 | D384 Y385 M425 T426 S427 | S382-D384 PolarHBondContact O-N 2.85Å; S382-Y385 PolarHBondContact N-O 3.47Å; S382-Y385 PolarHBondContact O-N 2.93Å; S382-M425 WeakPolarHBondContact CB-O 3.39Å; S382-M425 PolarHBondContact OG-O 3.04Å; S382-T426 VanDerWaalsContact OG-C 3.28Å; S382-S427 PolarHBondContact OG-N 3.12Å |
| 383 | E | 85.2 | Confident | 87.5 | Confident | 84 Ų | 84 | 29.1 Ų | 29.1 | 39% | 0.393 | 16% | 0.157 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 47.7 | -121.2 | -177.3 | -59.9 | -177.9 | 179.2 | 0 | 0 | 111.3 | S338 T340 Y385 S427 | S338-E383 VanDerWaalsContact CB-O 3.31Å; S338-E383 WeakPolarHBondContact CB-O 3.41Å; S338-E383 PolarHBondContact OG-O 3.33Å; T340-E383 HydrophobicContact CG2-CB 4.02Å; T340-E383 HydrophobicContact CG2-CG 4.44Å; T340-E383 PolarHBondContact OG1-O 3.19Å; T340-E383 VanDerWaalsContact OG1-O 3.07Å; E383-Y385 VanDerWaalsContact C-N 3.31Å; E383-Y385 PolarHBondContact O-N 3.33Å; E383-S427 WeakPolarHBondContact OE1-CB 3.28Å; E383-S427 VanDerWaalsContact OE2-CB 3.3Å; E383-S427 WeakPolarHBondContact OE2-CB 3.31Å |
| 384 | D | 86.3 | Confident | 86.6 | Confident | 26 Ų | 26 | 32.1 Ų | 32.1 | 14% | 0.139 | 17% | 0.173 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.5 | -2.4 | -174 | -56 | -25 | 0 | 0 | 0 | 113.7 | T340 S382 A406 K447 | T340-D384 WeakPolarHBondContact CB-OD1 2.84Å; T340-D384 PolarHBondContact OG1-N 3.45Å; T340-D384 PolarHBondContact OG1-OD1 3.39Å; S382-D384 PolarHBondContact O-N 2.85Å; D384-A406 PolarHBondContact O-N 2.94Å; D384-K447 IonicContact OD2-NZ 2.77Å; D384-K447 PolarHBondContact OD2-NZ 2.88Å |
| 385 | Y | 89.4 | Confident | 85.6 | Confident | 22 Ų | 22 | 32.5 Ų | 32.5 | 9% | 0.086 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 149.8 | -166 | -55.4 | -75.1 | 0 | 0 | 0 | 113.1 | A381 S382 E383 M403 Y404 I411 M425 Y443 T445 | A381-Y385 VanDerWaalsContact CA-O 3.32Å; A381-Y385 WeakPolarHBondContact CA-O 3.45Å; S382-Y385 PolarHBondContact N-O 3.47Å; S382-Y385 PolarHBondContact O-N 2.93Å; E383-Y385 VanDerWaalsContact C-N 3.31Å; E383-Y385 PolarHBondContact O-N 3.33Å; Y385-M403 HydrophobicContact CD1-CE 4.27Å; Y385-M403 HydrophobicContact CG-CE 4.11Å; Y385-Y404 WeakPolarHBondContact CA-O 3.2Å; Y385-I411 HydrophobicContact CD1-CD1 3.56Å; Y385-I411 HydrophobicContact CE1-CD1 3.61Å; Y385-M425 HydrophobicContact CG-CE 4.42Å; Y385-Y443 HydrophobicContact CD2-CE2 4.1Å; Y385-Y443 HydrophobicContact CE2-CE2 4.41Å; Y385-Y443 HydrophobicContact CG-CE2 4.45Å; Y385-T445 HydrophobicContact CD2-CG2 4.39Å; Y385-T445 HydrophobicContact CE2-CG2 3.53Å |
| 386 | V | 92.6 | Very high | 84.8 | Confident | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 132.5 | -179.1 | -177.6 | 0 | 0 | 0 | 0 | 108.1 | I345 F360 I379 C380 A381 L388 M403 Y404 | I345-V386 HydrophobicContact CD1-CG1 4.42Å; I345-V386 HydrophobicContact CD1-CG2 3.53Å; I345-V386 HydrophobicContact CG1-CG1 4.24Å; I345-V386 HydrophobicContact CG1-CG2 3.95Å; I345-V386 HydrophobicContact CG2-CG1 4.34Å; F360-V386 HydrophobicContact CE1-CB 4.1Å; F360-V386 HydrophobicContact CE1-CG1 4.16Å; F360-V386 HydrophobicContact CE1-CG2 4.04Å; F360-V386 HydrophobicContact CZ-CG1 4.44Å; I379-V386 HydrophobicContact CG2-CG1 4.07Å; C380-V386 CarbonylContact O-C 3.53Å; C380-V386 WeakPolarHBondContact O-CA 3.48Å; A381-V386 HydrophobicContact CB-CB 4.48Å; A381-V386 HydrophobicContact CB-CG2 3.97Å; V386-L388 HydrophobicContact CG1-CD2 4.2Å; V386-M403 CarbonylContact O-C 3.48Å; V386-Y404 PolarHBondContact N-O 3.45Å; V386-Y404 PolarHBondContact O-N 2.92Å |
| 387 | C | 93.6 | Very high | 83.7 | Confident | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 128 | 173.2 | -174.3 | 0 | 0 | 0 | 0 | 110.1 | C380 T402 M403 M425 I430 | C380-C387 PolarHBondContact N-O 3.02Å; C380-C387 VanDerWaalsContact N-O 3.13Å; C380-C387 PolarHBondContact O-N 3.26Å; C387-T402 WeakPolarHBondContact CA-O 3.43Å; C387-M403 HydrophobicContact CB-SD 3.89Å; C387-M425 HydrophobicContact CB-SD 4.23Å; C387-I430 HydrophobicContact CB-CD1 3.87Å; C387-I430 HydrophobicContact CB-CG1 4.44Å |
| 388 | L | 94.4 | Very high | 83.3 | Confident | 1 Ų | 1 | 37.7 Ų | 37.7 | 1% | 0.005 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 127.2 | 172 | -57.3 | -172.6 | 0 | 0 | 0 | 109.4 | I358 V373 I379 V386 T402 Y404 | I358-L388 HydrophobicContact CD1-CD1 3.45Å; I358-L388 VanDerWaalsContact CD1-CD1 3.45Å; I358-L388 HydrophobicContact CD1-CD2 3.89Å; I358-L388 HydrophobicContact CD1-CG 4.24Å; I358-L388 HydrophobicContact CG2-CD2 4.37Å; V373-L388 HydrophobicContact CG1-CD1 4.32Å; I379-L388 HydrophobicContact CB-CD2 4.41Å; I379-L388 HydrophobicContact CD1-CD2 4.21Å; I379-L388 HydrophobicContact CG1-CD2 3.91Å; I379-L388 HydrophobicContact CG2-CD2 3.97Å; V386-L388 HydrophobicContact CG1-CD2 4.2Å; L388-T402 PolarHBondContact N-O 2.92Å; L388-T402 PolarHBondContact O-N 2.95Å; L388-Y404 HydrophobicContact CB-CD2 4.37Å; L388-Y404 HydrophobicContact CB-CE2 4.08Å; L388-Y404 HydrophobicContact CD1-CD2 3.83Å; L388-Y404 HydrophobicContact CD1-CE2 3.42Å; L388-Y404 VanDerWaalsContact CD1-CE2 3.42Å; L388-Y404 HydrophobicContact CG-CD2 3.75Å; L388-Y404 HydrophobicContact CG-CE2 3.72Å |
| 389 | I | 93.8 | Very high | 83.2 | Confident | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 113 | -179.5 | -53.6 | -170.3 | 0 | 0 | 0 | 108.1 | I377 D378 V399 L401 P420 S423 L432 | I377-I389 WeakPolarHBondContact CA-O 3.49Å; I377-I389 HydrophobicContact CB-CB 4.38Å; I377-I389 HydrophobicContact CB-CG2 3.94Å; I377-I389 WeakPolarHBondContact CB-O 3.47Å; I377-I389 HydrophobicContact CD1-CG2 4.19Å; I377-I389 HydrophobicContact CG2-CG2 4.28Å; I377-I389 PolarHBondContact N-O 3.5Å; D378-I389 HydrophobicContact CB-CB 4.42Å; D378-I389 HydrophobicContact CB-CD1 4.26Å; D378-I389 PolarHBondContact N-O 3.43Å; D378-I389 PolarHBondContact O-N 3.42Å; I389-V399 HydrophobicContact CG2-CG1 3.33Å; I389-L401 HydrophobicContact CB-CD2 4.18Å; I389-L401 HydrophobicContact CD1-CD2 3.87Å; I389-L401 HydrophobicContact CG1-CD2 3.66Å; I389-L401 HydrophobicContact CG2-CD2 3.84Å; I389-P420 HydrophobicContact CD1-CG 4.34Å; I389-P420 HydrophobicContact CG2-CG 3.78Å; I389-S423 WeakPolarHBondContact CD1-OG 3.31Å; I389-L432 HydrophobicContact CD1-CD2 3.33Å |
| 390 | C | 90.3 | Very high | 83 | Confident | 15 Ų | 15 | 39 Ų | 39 | 10% | 0.101 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 145.3 | -173.4 | -57 | 0 | 0 | 0 | 0 | 111.4 | H375 I400 | H375-C390 WeakPolarHBondContact O-CA 3.46Å; C390-I400 PolarHBondContact N-O 3.37Å; C390-I400 PolarHBondContact O-N 3.2Å |
| 391 | K | 84.9 | Confident | 83 | Confident | 62 Ų | 62 | 38.6 Ų | 38.6 | 27% | 0.27 | 23% | 0.227 | S | C | . | . | trans | -91.9 | 122.8 | 171.1 | -160.4 | 170.9 | -176.7 | 164.9 | 0 | 109.4 | H375 I377 E419 | H375-K391 HydrophobicContact CB-CB 3.92Å; H375-K391 WeakPolarHBondContact CB-O 3.45Å; H375-K391 PolarHBondContact O-N 3.29Å; I377-K391 HydrophobicContact CD1-CB 3.97Å; I377-K391 HydrophobicContact CG1-CB 4.41Å; K391-E419 IonicContact NZ-OE2 3.71Å; K391-E419 PolarHBondContact NZ-OE2 3.16Å | ||
| 392 | P | 77.9 | Confident | 83 | Confident | 21 Ų | 21 | 38.7 Ų | 38.7 | 14% | 0.136 | 23% | 0.226 | C | C | . | . | trans | -61.6 | 153 | 169.2 | 27.1 | -29.9 | 0 | 0 | 0 | 110.3 | D394 Q397 G398 I400 | P392-D394 PolarHBondContact O-N 2.98Å; P392-Q397 HydrophobicContact CB-CB 4.41Å; P392-Q397 HydrophobicContact CG-CB 3.76Å; P392-G398 WeakPolarHBondContact CD-O 3.45Å; P392-G398 VanDerWaalsContact CG-O 3.27Å; P392-G398 WeakPolarHBondContact CG-O 3.29Å; P392-I400 HydrophobicContact CB-CD1 4.06Å; P392-I400 HydrophobicContact CG-CD1 4.23Å; P392-I400 HydrophobicContact CG-CG1 4.42Å | ||
| 393 | S | 69.7 | Low | 83.1 | Confident | 97 Ų | 97 | 38.3 Ų | 38.3 | 68% | 0.678 | 22% | 0.223 | S | C | * | . | S | Bend | trans | -57.1 | -32.4 | 177.6 | 52.4 | 0 | 0 | 0 | 0 | 112.7 | V395 | S393-V395 PolarHBondContact O-N 3.49Š|
| 394 | D | 66.5 | Low | 83.4 | Confident | 82 Ų | 82 | 35.7 Ų | 35.7 | 44% | 0.439 | 21% | 0.21 | S | C | . | . | S | Bend | trans | -81.5 | 104.5 | 175.9 | -68.8 | -5.9 | 0 | 0 | 0 | 109.7 | P392 S396 Q397 | P392-D394 PolarHBondContact O-N 2.98Å; D394-S396 PolarHBondContact O-N 3.45Å; D394-Q397 HydrophobicContact CB-CB 4.45Å; D394-Q397 HydrophobicContact CB-CG 3.78Å; D394-Q397 PolarHBondContact O-N 2.69Å; D394-Q397 PolarHBondContact OD2-NE2 3.26Å |
| 395 | V | 60.4 | Low | 83.6 | Confident | 119 Ų | 119 | 36.3 Ų | 36.3 | 72% | 0.721 | 21% | 0.214 | S | C | * | . | G | 310 helix | trans | -54.1 | -25.1 | -178.3 | -174.9 | 0 | 0 | 0 | 0 | 112.6 | S393 Q397 | S393-V395 PolarHBondContact O-N 3.49Å; V395-Q397 VanDerWaalsContact C-N 3.31Å; V395-Q397 PolarHBondContact O-N 2.78Å |
| 396 | S | 61.6 | Low | 83.5 | Confident | 112 Ų | 112 | 35.3 Ų | 35.3 | 78% | 0.783 | 21% | 0.211 | S | C | * | . | G | 310 helix | trans | -75.8 | -9.2 | 179 | 59.9 | 0 | 0 | 0 | 0 | 115 | D394 | D394-S396 PolarHBondContact O-N 3.45Š|
| 397 | Q | 64.5 | Low | 83.1 | Confident | 73 Ų | 73 | 40.5 Ų | 40.5 | 34% | 0.341 | 24% | 0.237 | S | C | . | . | G | 310 helix | trans | -97.6 | 8.9 | -169.9 | -63.3 | -165.8 | 25.2 | 0 | 0 | 115.4 | P392 D394 V395 | P392-Q397 HydrophobicContact CB-CB 4.41Å; P392-Q397 HydrophobicContact CG-CB 3.76Å; D394-Q397 HydrophobicContact CB-CB 4.45Å; D394-Q397 HydrophobicContact CB-CG 3.78Å; D394-Q397 PolarHBondContact O-N 2.69Å; D394-Q397 PolarHBondContact OD2-NE2 3.26Å; V395-Q397 VanDerWaalsContact C-N 3.31Å; V395-Q397 PolarHBondContact O-N 2.78Å |
| 398 | G | 79.5 | Confident | 82.8 | Confident | 19 Ų | 19 | 40.6 Ų | 40.6 | 20% | 0.196 | 24% | 0.238 | C | C | . | . | trans | 71.4 | -155.7 | -178.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | P392 V416 | P392-G398 WeakPolarHBondContact CD-O 3.45Å; P392-G398 VanDerWaalsContact CG-O 3.27Å; P392-G398 WeakPolarHBondContact CG-O 3.29Å; G398-V416 CarbonylContact C-O 3.55Å; G398-V416 WeakPolarHBondContact CA-O 3.43Å | ||
| 399 | V | 88.8 | Confident | 82.6 | Confident | 3 Ų | 3 | 44.2 Ų | 44.2 | 2% | 0.018 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 142.9 | 178.3 | 171.5 | 0 | 0 | 0 | 0 | 110.2 | I377 I389 L401 R415 V416 E419 | I377-V399 HydrophobicContact CD1-CB 4.3Å; I377-V399 HydrophobicContact CD1-CG1 3.74Å; I377-V399 HydrophobicContact CD1-CG2 3.53Å; I389-V399 HydrophobicContact CG2-CG1 3.33Å; V399-L401 HydrophobicContact CG1-CD2 4.49Å; V399-R415 CarbonylContact O-C 3.6Å; V399-R415 WeakPolarHBondContact O-CA 3.39Å; V399-V416 PolarHBondContact N-O 2.96Å; V399-V416 PolarHBondContact O-N 3.11Å; V399-E419 HydrophobicContact CG2-CB 4.36Å |
| 400 | I | 91.2 | Very high | 82.4 | Confident | 41 Ų | 41 | 47 Ų | 47 | 21% | 0.21 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 119.4 | 179 | -57 | 170.1 | 0 | 0 | 0 | 109.2 | C390 P392 R415 | C390-I400 PolarHBondContact N-O 3.37Å; C390-I400 PolarHBondContact O-N 3.2Å; P392-I400 HydrophobicContact CB-CD1 4.06Å; P392-I400 HydrophobicContact CG-CD1 4.23Å; P392-I400 HydrophobicContact CG-CG1 4.42Å; I400-R415 HydrophobicContact CG1-CG 4.3Å |
| 401 | L | 92.2 | Very high | 82.2 | Confident | 0 Ų | 0 | 50.2 Ų | 50.2 | 0% | 0 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 125.3 | 166.7 | -47.6 | 178.9 | 0 | 0 | 0 | 107.9 | I389 V399 S413 K414 V416 L432 Y439 W441 | I389-L401 HydrophobicContact CB-CD2 4.18Å; I389-L401 HydrophobicContact CD1-CD2 3.87Å; I389-L401 HydrophobicContact CG1-CD2 3.66Å; I389-L401 HydrophobicContact CG2-CD2 3.84Å; V399-L401 HydrophobicContact CG1-CD2 4.49Å; L401-S413 CarbonylContact O-C 3.49Å; L401-S413 WeakPolarHBondContact O-CA 3.39Å; L401-K414 HydrophobicContact CB-CB 4.44Å; L401-K414 HydrophobicContact CD1-CB 4.5Å; L401-K414 PolarHBondContact N-O 3.39Å; L401-K414 PolarHBondContact O-N 2.99Å; L401-V416 HydrophobicContact CD1-CG2 3.73Å; L401-V416 HydrophobicContact CG-CG2 4.03Å; L401-L432 HydrophobicContact CD1-CD1 3.85Å; L401-L432 HydrophobicContact CD2-CD1 3.68Å; L401-L432 HydrophobicContact CD2-CD2 4.26Å; L401-L432 HydrophobicContact CG-CD1 4.3Å; L401-Y439 HydrophobicContact CD1-CE1 4.35Å; L401-W441 HydrophobicContact CD1-CE3 4.14Å |
| 402 | T | 92 | Very high | 82.3 | Confident | 24 Ų | 24 | 49.9 Ų | 49.9 | 15% | 0.147 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 118.5 | 174.7 | -51 | 0 | 0 | 0 | 0 | 109.4 | C387 L388 Y404 A410 | C387-T402 WeakPolarHBondContact CA-O 3.43Å; L388-T402 PolarHBondContact N-O 2.92Å; L388-T402 PolarHBondContact O-N 2.95Å; T402-Y404 HydrophobicContact CG2-CD2 4.02Å; T402-Y404 HydrophobicContact CG2-CE2 3.29Å; T402-Y404 VanDerWaalsContact O-CD2 3.29Å; T402-Y404 WeakPolarHBondContact O-CD2 3.35Å; T402-A410 HydrophobicContact CG2-CB 4.28Å |
| 403 | M | 91.3 | Very high | 82.7 | Confident | 4 Ų | 4 | 52.7 Ų | 52.7 | 2% | 0.02 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80 | 133.4 | 174.9 | -75.5 | -73.5 | -71.2 | 0 | 0 | 110.3 | Y385 V386 C387 A410 I411 E412 M425 I430 W441 Y443 | Y385-M403 HydrophobicContact CD1-CE 4.27Å; Y385-M403 HydrophobicContact CG-CE 4.11Å; V386-M403 CarbonylContact O-C 3.48Å; C387-M403 HydrophobicContact CB-SD 3.89Å; M403-A410 CarbonylContact O-C 3.45Å; M403-A410 WeakPolarHBondContact O-CA 3.32Å; M403-I411 HydrophobicContact CB-CB 4.39Å; M403-I411 PolarHBondContact O-N 3.26Å; M403-E412 HydrophobicContact CB-CB 4.49Å; M403-E412 WeakPolarHBondContact CB-O 3.37Å; M403-E412 PolarHBondContact N-O 3.28Å; M403-M425 HydrophobicContact CE-CE 3.41Å; M403-M425 VanDerWaalsContact CE-CE 3.41Å; M403-M425 HydrophobicContact SD-CE 3.61Å; M403-M425 HydrophobicContact SD-SD 4.5Å; M403-I430 HydrophobicContact CG-CD1 4Å; M403-I430 HydrophobicContact SD-CD1 3.35Å; M403-I430 WeakPolarHBondContact SD-CD1 3.45Å; M403-I430 HydrophobicContact SD-CG1 4.28Å; M403-W441 HydrophobicContact CG-CH2 3.95Å; M403-W441 HydrophobicContact CG-CZ3 3.79Å; M403-Y443 HydrophobicContact CE-CD1 4.12Å; M403-Y443 HydrophobicContact CE-CD2 3.6Å; M403-Y443 HydrophobicContact CE-CE1 4.15Å; M403-Y443 HydrophobicContact CE-CE2 3.62Å; M403-Y443 HydrophobicContact CE-CG 3.86Å |
| 404 | Y | 91.4 | Very high | 83.6 | Confident | 28 Ų | 28 | 50 Ų | 50 | 11% | 0.11 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 151.6 | 176.6 | -71.1 | -97.5 | 0 | 0 | 0 | 110 | F360 I371 Y385 V386 L388 T402 V409 A410 | F360-Y404 HydrophobicContact CZ-CD1 4.42Å; F360-Y404 HydrophobicContact CZ-CG 4.23Å; I371-Y404 HydrophobicContact CD1-CD1 3.9Å; I371-Y404 HydrophobicContact CD1-CE1 3.56Å; Y385-Y404 WeakPolarHBondContact CA-O 3.2Å; V386-Y404 PolarHBondContact N-O 3.45Å; V386-Y404 PolarHBondContact O-N 2.92Å; L388-Y404 HydrophobicContact CB-CD2 4.37Å; L388-Y404 HydrophobicContact CB-CE2 4.08Å; L388-Y404 HydrophobicContact CD1-CD2 3.83Å; L388-Y404 HydrophobicContact CD1-CE2 3.42Å; L388-Y404 VanDerWaalsContact CD1-CE2 3.42Å; L388-Y404 HydrophobicContact CG-CD2 3.75Å; L388-Y404 HydrophobicContact CG-CE2 3.72Å; T402-Y404 HydrophobicContact CG2-CD2 4.02Å; T402-Y404 HydrophobicContact CG2-CE2 3.29Å; T402-Y404 VanDerWaalsContact O-CD2 3.29Å; T402-Y404 WeakPolarHBondContact O-CD2 3.35Å; Y404-V409 CarbonylContact C-O 3.56Å; Y404-V409 WeakPolarHBondContact CA-O 3.29Å; Y404-A410 HydrophobicContact CD1-CB 4.05Å; Y404-A410 HydrophobicContact CE1-CB 3.7Å |
| 405 | T | 90.1 | Very high | 84.6 | Confident | 39 Ų | 39 | 53.4 Ų | 53.4 | 24% | 0.239 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.4 | 159.9 | 160 | 64 | 0 | 0 | 0 | 0 | 110 | I407 G408 V409 I411 | T405-I407 PolarHBondContact O-N 3.49Å; T405-G408 WeakPolarHBondContact O-CA 3.34Å; T405-G408 PolarHBondContact O-N 3.24Å; T405-V409 HydrophobicContact CG2-CB 4.36Å; T405-V409 PolarHBondContact N-O 3.31Å; T405-V409 WeakPolarHBondContact OG1-CB 3.49Å; T405-V409 PolarHBondContact OG1-N 2.93Å; T405-V409 VanDerWaalsContact OG1-N 3.1Å; T405-I411 HydrophobicContact CG2-CD1 3.69Å; T405-I411 HydrophobicContact CG2-CG1 3.93Å |
| 406 | A | 85.9 | Confident | 85.9 | Confident | 2 Ų | 2 | 47.8 Ų | 47.8 | 2% | 0.017 | 27% | 0.267 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60 | -12 | 173.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | E341 T343 F360 D384 | E341-A406 HydrophobicContact CB-CB 3.71Å; E341-A406 HydrophobicContact CG-CB 3.87Å; T343-A406 VanDerWaalsContact CG2-O 3.26Å; T343-A406 WeakPolarHBondContact CG2-O 3.39Å; F360-A406 WeakPolarHBondContact CD1-O 3.24Å; D384-A406 PolarHBondContact O-N 2.94Å |
| 407 | I | 86.1 | Confident | 87 | Confident | 108 Ų | 108 | 48.1 Ų | 48.1 | 55% | 0.554 | 26% | 0.256 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.5 | 8.3 | 174.5 | -45.9 | 166.2 | 0 | 0 | 0 | 110.7 | K369 T405 | K369-I407 WeakPolarHBondContact CD-O 3.49Å; T405-I407 PolarHBondContact O-N 3.49Å |
| 408 | G | 86.8 | Confident | 88 | Confident | 2 Ų | 2 | 45.1 Ų | 45.1 | 2% | 0.021 | 24% | 0.242 | C | C | . | . | S | Bend | trans | 75.9 | 34.4 | 174.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | K369 I371 T405 | K369-G408 WeakPolarHBondContact CE-O 3.46Å; K369-G408 PolarHBondContact NZ-O 2.84Å; I371-G408 WeakPolarHBondContact CD1-O 3.26Å; T405-G408 WeakPolarHBondContact O-CA 3.34Å; T405-G408 PolarHBondContact O-N 3.24Å |
| 409 | V | 89.5 | Confident | 88.3 | Confident | 77 Ų | 77 | 48.8 Ų | 48.8 | 47% | 0.467 | 25% | 0.254 | S | S | . | . | trans | -100.4 | 124.3 | 170.9 | -180 | 0 | 0 | 0 | 0 | 109 | Y404 T405 | Y404-V409 CarbonylContact C-O 3.56Å; Y404-V409 WeakPolarHBondContact CA-O 3.29Å; T405-V409 HydrophobicContact CG2-CB 4.36Å; T405-V409 PolarHBondContact N-O 3.31Å; T405-V409 WeakPolarHBondContact OG1-CB 3.49Å; T405-V409 PolarHBondContact OG1-N 2.93Å; T405-V409 VanDerWaalsContact OG1-N 3.1Å | ||
| 410 | A | 89.7 | Confident | 88.4 | Confident | 58 Ų | 58 | 49 Ų | 49 | 48% | 0.479 | 26% | 0.255 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.8 | 137.8 | 177.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | T402 M403 Y404 | T402-A410 HydrophobicContact CG2-CB 4.28Å; M403-A410 CarbonylContact O-C 3.45Å; M403-A410 WeakPolarHBondContact O-CA 3.32Å; Y404-A410 HydrophobicContact CD1-CB 4.05Å; Y404-A410 HydrophobicContact CE1-CB 3.7Å |
| 411 | I | 86.7 | Confident | 88.2 | Confident | 83 Ų | 83 | 51.1 Ų | 51.1 | 43% | 0.426 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | -59 | -177.1 | -53.8 | 174.2 | 0 | 0 | 0 | 109.8 | Y385 M403 T405 | Y385-I411 HydrophobicContact CD1-CD1 3.56Å; Y385-I411 HydrophobicContact CE1-CD1 3.61Å; M403-I411 HydrophobicContact CB-CB 4.39Å; M403-I411 PolarHBondContact O-N 3.26Å; T405-I411 HydrophobicContact CG2-CD1 3.69Å; T405-I411 HydrophobicContact CG2-CG1 3.93Å |
| 412 | E | 85.9 | Confident | 88.1 | Confident | 56 Ų | 56 | 53 Ų | 53 | 26% | 0.262 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.2 | 150.8 | -171.9 | -172.6 | 175.9 | -176.6 | 0 | 0 | 109.7 | M403 W441 | M403-E412 HydrophobicContact CB-CB 4.49Å; M403-E412 WeakPolarHBondContact CB-O 3.37Å; M403-E412 PolarHBondContact N-O 3.28Å; E412-W441 HydrophobicContact CG-CH2 4.16Å; E412-W441 HydrophobicContact CG-CZ2 4.23Å |
| 413 | S | 87.9 | Confident | 88.2 | Confident | 80 Ų | 80 | 52.2 Ų | 52.2 | 56% | 0.559 | 27% | 0.271 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 140.1 | 175.9 | 64.2 | 0 | 0 | 0 | 0 | 111.8 | L401 | L401-S413 CarbonylContact O-C 3.49Å; L401-S413 WeakPolarHBondContact O-CA 3.39Å |
| 414 | K | 87.1 | Confident | 88.2 | Confident | 41 Ų | 41 | 54.3 Ų | 54.3 | 18% | 0.178 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 143.7 | -179.8 | -168.4 | 67 | 175.7 | -165 | 0 | 111.3 | L401 W441 E468 | L401-K414 HydrophobicContact CB-CB 4.44Å; L401-K414 HydrophobicContact CD1-CB 4.5Å; L401-K414 PolarHBondContact N-O 3.39Å; L401-K414 PolarHBondContact O-N 2.99Å; K414-W441 HydrophobicContact CB-CD2 4.41Å; K414-W441 HydrophobicContact CB-CE3 4.37Å; K414-W441 HydrophobicContact CB-CH2 4.15Å; K414-W441 HydrophobicContact CB-CZ2 4.16Å; K414-W441 HydrophobicContact CB-CZ3 4.24Å; K414-W441 HydrophobicContact CG-CD2 4.46Å; K414-E468 VanDerWaalsContact CE-CD 3.49Å; K414-E468 WeakPolarHBondContact CE-OE1 3.45Å; K414-E468 IonicContact NZ-OE1 2.68Å; K414-E468 PolarHBondContact NZ-OE1 3.32Å |
| 415 | R | 88.4 | Confident | 88.2 | Confident | 153 Ų | 153 | 53.2 Ų | 53.2 | 58% | 0.577 | 28% | 0.277 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 136.7 | 175.9 | -66.2 | -175.4 | 179.9 | -167.9 | -5.1 | 110.9 | V399 I400 | V399-R415 CarbonylContact O-C 3.6Å; V399-R415 WeakPolarHBondContact O-CA 3.39Å; I400-R415 HydrophobicContact CG1-CG 4.3Å |
| 416 | V | 87.7 | Confident | 88.1 | Confident | 1 Ų | 1 | 52 Ų | 52 | 1% | 0.006 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 141 | -179.9 | 173.1 | 0 | 0 | 0 | 0 | 109.3 | G398 V399 L401 F418 L432 Y439 W501 | G398-V416 CarbonylContact C-O 3.55Å; G398-V416 WeakPolarHBondContact CA-O 3.43Å; V399-V416 PolarHBondContact N-O 2.96Å; V399-V416 PolarHBondContact O-N 3.11Å; L401-V416 HydrophobicContact CD1-CG2 3.73Å; L401-V416 HydrophobicContact CG-CG2 4.03Å; V416-F418 HydrophobicContact CG1-CD1 3.8Å; V416-F418 HydrophobicContact CG1-CE1 3.84Å; V416-F418 HydrophobicContact CG1-CG 4.33Å; V416-F418 HydrophobicContact CG1-CZ 4.4Å; V416-F418 PolarHBondContact O-N 3.46Å; V416-L432 HydrophobicContact CG1-CD1 4.27Å; V416-L432 HydrophobicContact CG2-CD1 4.1Å; V416-Y439 HydrophobicContact CG2-CD1 4.23Å; V416-Y439 HydrophobicContact CG2-CE1 3.65Å; V416-W501 HydrophobicContact CB-CH2 4.46Å; V416-W501 HydrophobicContact CG1-CH2 3.99Å; V416-W501 HydrophobicContact CG1-CZ3 4.38Å |
| 417 | Q | 84.6 | Confident | 88 | Confident | 119 Ų | 119 | 53.4 Ų | 53.4 | 56% | 0.556 | 28% | 0.279 | S | S | * | . | S | Bend | trans | -81.9 | -10.1 | -171.6 | -62 | -170.6 | -3.9 | 0 | 0 | 115.2 | W501 M504 | Q417-W501 HydrophobicContact CB-CD2 4.4Å; Q417-W501 HydrophobicContact CB-CE3 3.79Å; Q417-W501 HydrophobicContact CB-CZ3 3.86Å; Q417-W501 HydrophobicContact CG-CD2 3.91Å; Q417-W501 HydrophobicContact CG-CE3 3.82Å; Q417-W501 HydrophobicContact CG-CG 4.5Å; Q417-W501 HydrophobicContact CG-CH2 4.45Å; Q417-W501 HydrophobicContact CG-CZ3 4.11Å; Q417-M504 HydrophobicContact CB-SD 3.97Å |
| 418 | F | 85.1 | Confident | 87.9 | Confident | 9 Ų | 9 | 49.7 Ų | 49.7 | 4% | 0.039 | 26% | 0.261 | C | S | . | . | S | Bend | trans | -121.9 | 157.1 | 179.4 | 72.9 | -95 | 0 | 0 | 0 | 113.1 | V416 P420 L432 N434 Y439 L470 W501 M504 | V416-F418 HydrophobicContact CG1-CD1 3.8Å; V416-F418 HydrophobicContact CG1-CE1 3.84Å; V416-F418 HydrophobicContact CG1-CG 4.33Å; V416-F418 HydrophobicContact CG1-CZ 4.4Å; V416-F418 PolarHBondContact O-N 3.46Å; F418-P420 HydrophobicContact CE2-CB 4.13Å; F418-P420 WeakPolarHBondContact O-CD 3.31Å; F418-L432 HydrophobicContact CE2-CB 4.42Å; F418-L432 HydrophobicContact CZ-CB 4.13Å; F418-N434 HydrophobicContact CD2-CB 3.6Å; F418-N434 HydrophobicContact CE2-CB 3.67Å; F418-Y439 HydrophobicContact CE1-CG 4.37Å; F418-L470 HydrophobicContact CE1-CD1 4.16Å; F418-W501 HydrophobicContact CD1-CZ3 4.29Å; F418-M504 HydrophobicContact CB-CE 3.69Å; F418-M504 HydrophobicContact CB-SD 4.37Å; F418-M504 HydrophobicContact CD1-SD 4.29Å |
| 419 | E | 86.1 | Confident | 88 | Confident | 96 Ų | 96 | 49.7 Ų | 49.7 | 45% | 0.449 | 26% | 0.26 | S | S | . | . | trans | -85.5 | 115.7 | 174.5 | -170.9 | 167.7 | 160.3 | 0 | 0 | 110.7 | I377 K391 V399 | I377-E419 HydrophobicContact CD1-CG 3.98Å; K391-E419 IonicContact NZ-OE2 3.71Å; K391-E419 PolarHBondContact NZ-OE2 3.16Å; V399-E419 HydrophobicContact CG2-CB 4.36Å | ||
| 420 | P | 90.2 | Very high | 88 | Confident | 7 Ų | 7 | 46 Ų | 46 | 5% | 0.045 | 24% | 0.238 | C | C | . | . | trans | -78 | 146.3 | -179.3 | 31.8 | -34.7 | 0 | 0 | 0 | 112.1 | I377 I389 F418 L432 I433 | I377-P420 HydrophobicContact CG2-CG 4.17Å; I377-P420 WeakPolarHBondContact CG2-O 3.37Å; I389-P420 HydrophobicContact CD1-CG 4.34Å; I389-P420 HydrophobicContact CG2-CG 3.78Å; F418-P420 HydrophobicContact CE2-CB 4.13Å; F418-P420 WeakPolarHBondContact O-CD 3.31Å; P420-L432 HydrophobicContact CB-CB 4.06Å; P420-L432 HydrophobicContact CB-CD2 4.47Å; P420-I433 CarbonylContact C-O 3.54Å; P420-I433 WeakPolarHBondContact CA-O 3.3Å | ||
| 421 | I | 86.9 | Confident | 88.2 | Confident | 86 Ų | 86 | 43.2 Ų | 43.2 | 44% | 0.441 | 22% | 0.215 | S | C | . | . | S | Bend | trans | -82.5 | -42.6 | 173.8 | -63 | 172.3 | 0 | 0 | 0 | 110.6 | I433 K435 | I421-I433 PolarHBondContact N-O 3.37Å; I421-K435 HydrophobicContact CD1-CB 4.44Å; I421-K435 HydrophobicContact CD1-CG 3.57Å |
| 422 | Q | 90.8 | Very high | 88.6 | Confident | 40 Ų | 40 | 39.3 Ų | 39.3 | 19% | 0.187 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.6 | 148.2 | -179.8 | -166.3 | -179 | -8 | 0 | 0 | 109.2 | I433 T515 L516 | Q422-I433 HydrophobicContact CB-CD1 3.94Å; Q422-I433 HydrophobicContact CB-CG1 3.91Å; Q422-I433 WeakPolarHBondContact O-CG1 3.46Å; Q422-I433 PolarHBondContact O-N 3.24Å; Q422-I433 VanDerWaalsContact O-N 3.1Å; Q422-T515 PolarHBondContact OE1-OG1 3.31Å; Q422-L516 PolarHBondContact NE2-O 3.42Å; Q422-L516 VanDerWaalsContact OE1-N 3.12Å |
| 423 | S | 93.4 | Very high | 88.9 | Confident | 7 Ų | 7 | 36.6 Ų | 36.6 | 5% | 0.049 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 152.3 | 171.9 | 69.2 | 0 | 0 | 0 | 0 | 112.2 | D378 C380 I389 I431 | D378-S423 WeakPolarHBondContact OD2-CB 3.03Å; D378-S423 PolarHBondContact OD2-N 3.27Å; D378-S423 PolarHBondContact OD2-OG 3.45Å; C380-S423 PolarHBondContact SG-OG 3.17Å; C380-S423 VanDerWaalsContact SG-OG 3.38Å; I389-S423 WeakPolarHBondContact CD1-OG 3.31Å; S423-I431 CarbonylContact C-O 3.48Å; S423-I431 VanDerWaalsContact CA-O 3.31Å; S423-I431 WeakPolarHBondContact CA-O 3.44Å |
| 424 | M | 93.1 | Very high | 89 | Confident | 48 Ų | 48 | 34.8 Ų | 34.8 | 24% | 0.236 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.5 | 162 | 167.3 | -82.8 | -163.9 | 136.5 | 0 | 0 | 110.8 | I431 L516 T517 I518 | M424-I431 PolarHBondContact N-O 3.32Å; M424-I431 PolarHBondContact O-N 3.02Å; M424-L516 HydrophobicContact CB-CD1 3.65Å; M424-L516 HydrophobicContact CG-CD1 3.35Å; M424-L516 HydrophobicContact SD-CD1 3.3Å; M424-L516 WeakPolarHBondContact SD-CD1 3.31Å; M424-T517 VanDerWaalsContact SD-CA 3.58Å; M424-I518 HydrophobicContact CB-CD1 3.54Å; M424-I518 HydrophobicContact CB-CG1 4.18Å; M424-I518 HydrophobicContact CG-CD1 4.47Å; M424-I518 HydrophobicContact SD-CB 4.06Å; M424-I518 HydrophobicContact SD-CD1 4.09Å; M424-I518 HydrophobicContact SD-CG1 3.72Å; M424-I518 PolarHBondContact SD-N 3.49Å; M424-I518 VanDerWaalsContact SD-N 3.43Å |
| 425 | M | 90.3 | Very high | 89.2 | Confident | 5 Ų | 5 | 38 Ų | 38 | 3% | 0.025 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 137.8 | -173.5 | -170.4 | 174.6 | 179 | 0 | 0 | 110.2 | C380 S382 Y385 C387 M403 Q429 I430 Y443 H520 | C380-M425 HydrophobicContact CB-CB 4.11Å; S382-M425 WeakPolarHBondContact CB-O 3.39Å; S382-M425 PolarHBondContact OG-O 3.04Å; Y385-M425 HydrophobicContact CG-CE 4.42Å; C387-M425 HydrophobicContact CB-SD 4.23Å; M403-M425 HydrophobicContact CE-CE 3.41Å; M403-M425 VanDerWaalsContact CE-CE 3.41Å; M403-M425 HydrophobicContact SD-CE 3.61Å; M403-M425 HydrophobicContact SD-SD 4.5Å; M425-Q429 WeakPolarHBondContact CA-O 3.3Å; M425-I430 HydrophobicContact CG-CG1 4.12Å; M425-I430 HydrophobicContact SD-CG1 4.48Å; M425-Y443 HydrophobicContact CE-CE1 3.64Å; M425-Y443 HydrophobicContact CE-CE2 4.27Å; M425-Y443 VanDerWaalsContact CE-CZ 3.45Å; M425-Y443 WeakPolarHBondContact CE-OH 3.49Å; M425-Y443 HydrophobicContact CG-CE1 4.41Å; M425-H520 PolarHBondContact O-CE1 3.38Å |
| 426 | T | 87.7 | Confident | 89.3 | Confident | 13 Ų | 13 | 30.9 Ų | 30.9 | 8% | 0.08 | 15% | 0.154 | C | C | . | . | trans | -106.8 | 179.1 | 164.7 | 69.6 | 0 | 0 | 0 | 0 | 109.3 | S382 N428 Q429 Y443 I518 L539 | S382-T426 VanDerWaalsContact OG-C 3.28Å; T426-N428 PolarHBondContact O-N 3.44Å; T426-N428 VanDerWaalsContact O-N 3.07Å; T426-N428 PolarHBondContact OG1-N 3.07Å; T426-N428 PolarHBondContact OG1-OD1 3.38Å; T426-N428 VanDerWaalsContact OG1-OD1 3.13Å; T426-Q429 PolarHBondContact N-O 3Å; T426-Q429 WeakPolarHBondContact OG1-CB 3.39Å; T426-Q429 PolarHBondContact OG1-N 3.13Å; T426-Q429 PolarHBondContact OG1-O 3.35Å; T426-Y443 PolarHBondContact O-OH 3.26Å; T426-I518 HydrophobicContact CG2-CD1 3.83Å; T426-I518 HydrophobicContact CG2-CG2 3.99Å; T426-L539 HydrophobicContact CG2-CD1 3.91Å | ||
| 427 | S | 84.3 | Confident | 89.5 | Confident | 32 Ų | 32 | 31.6 Ų | 31.6 | 22% | 0.224 | 16% | 0.157 | C | C | . | . | S | Bend | trans | -65.3 | -7 | 176.6 | 57.8 | 0 | 0 | 0 | 0 | 115.2 | S382 E383 Y443 | S382-S427 PolarHBondContact OG-N 3.12Å; E383-S427 WeakPolarHBondContact OE1-CB 3.28Å; E383-S427 VanDerWaalsContact OE2-CB 3.3Å; E383-S427 WeakPolarHBondContact OE2-CB 3.31Å; S427-Y443 WeakPolarHBondContact CA-OH 3.3Å; S427-Y443 PolarHBondContact O-OH 3.37Å; S427-Y443 VanDerWaalsContact O-OH 3.13Å |
| 428 | N | 83.6 | Confident | 89.8 | Confident | 31 Ų | 31 | 26 Ų | 26 | 17% | 0.166 | 13% | 0.13 | C | C | . | . | S | Bend | trans | -146.1 | -1.3 | 178 | 69.6 | -16.9 | 0 | 0 | 0 | 115.4 | T426 Q442 Y443 | T426-N428 PolarHBondContact O-N 3.44Å; T426-N428 VanDerWaalsContact O-N 3.07Å; T426-N428 PolarHBondContact OG1-N 3.07Å; T426-N428 PolarHBondContact OG1-OD1 3.38Å; T426-N428 VanDerWaalsContact OG1-OD1 3.13Å; N428-Q442 CarbonylContact O-C 3.47Å; N428-Q442 VanDerWaalsContact O-CA 3.29Å; N428-Q442 WeakPolarHBondContact O-CA 3.3Å; N428-Q442 WeakPolarHBondContact O-CG 3.38Å; N428-Y443 PolarHBondContact N-OH 3.27Å; N428-Y443 PolarHBondContact O-N 3.16Å; N428-Y443 VanDerWaalsContact O-N 3.16Å |
| 429 | Q | 88.3 | Confident | 90.1 | Very high | 1 Ų | 1 | 25.6 Ų | 25.6 | 1% | 0.005 | 13% | 0.129 | C | C | . | . | trans | -139.1 | 146.3 | 179.3 | -65.4 | -173.2 | -34.6 | 0 | 0 | 112.3 | M425 T426 W441 Q442 Y443 P540 | M425-Q429 WeakPolarHBondContact CA-O 3.3Å; T426-Q429 PolarHBondContact N-O 3Å; T426-Q429 WeakPolarHBondContact OG1-CB 3.39Å; T426-Q429 PolarHBondContact OG1-N 3.13Å; T426-Q429 PolarHBondContact OG1-O 3.35Å; Q429-W441 CarbonylContact C-O 3.57Å; Q429-W441 VanDerWaalsContact CA-O 3.26Å; Q429-W441 WeakPolarHBondContact CA-O 3.36Å; Q429-Q442 HydrophobicContact CG-CB 3.92Å; Q429-Q442 HydrophobicContact CG-CG 4.02Å; Q429-Y443 VanDerWaalsContact N-CE1 3.33Å; Q429-P540 PolarHBondContact NE2-O 3.34Å | ||
| 430 | I | 91.2 | Very high | 90.3 | Very high | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 11% | 0.107 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 129.7 | 166.5 | -63.8 | 165.1 | 0 | 0 | 0 | 107.7 | C387 M403 M425 L432 A440 W441 Y443 | C387-I430 HydrophobicContact CB-CD1 3.87Å; C387-I430 HydrophobicContact CB-CG1 4.44Å; M403-I430 HydrophobicContact CG-CD1 4Å; M403-I430 HydrophobicContact SD-CD1 3.35Å; M403-I430 WeakPolarHBondContact SD-CD1 3.45Å; M403-I430 HydrophobicContact SD-CG1 4.28Å; M425-I430 HydrophobicContact CG-CG1 4.12Å; M425-I430 HydrophobicContact SD-CG1 4.48Å; I430-L432 HydrophobicContact CG2-CD2 3.92Å; I430-L432 HydrophobicContact CG2-CG 4.39Å; I430-A440 CarbonylContact O-C 3.53Å; I430-A440 WeakPolarHBondContact O-CA 3.19Å; I430-W441 HydrophobicContact CB-CE3 4.32Å; I430-W441 HydrophobicContact CD1-CE3 3.41Å; I430-W441 VanDerWaalsContact CD1-CE3 3.41Å; I430-W441 HydrophobicContact CD1-CZ3 3.41Å; I430-W441 VanDerWaalsContact CD1-CZ3 3.41Å; I430-W441 HydrophobicContact CG1-CE3 4.31Å; I430-W441 PolarHBondContact N-O 3.37Å; I430-W441 PolarHBondContact O-N 3.49Å; I430-Y443 HydrophobicContact CD1-CD1 4.24Å; I430-Y443 HydrophobicContact CG1-CD1 4.01Å; I430-Y443 HydrophobicContact CG1-CE1 4.12Å |
| 431 | I | 93.2 | Very high | 90.2 | Very high | 0 Ų | 0 | 20.7 Ų | 20.7 | 0% | 0 | 11% | 0.105 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 125.3 | -178.5 | -54.5 | -177.8 | 0 | 0 | 0 | 108.4 | S423 M424 I438 Y439 A440 L516 I518 L525 L539 | S423-I431 CarbonylContact C-O 3.48Å; S423-I431 VanDerWaalsContact CA-O 3.31Å; S423-I431 WeakPolarHBondContact CA-O 3.44Å; M424-I431 PolarHBondContact N-O 3.32Å; M424-I431 PolarHBondContact O-N 3.02Å; I431-I438 HydrophobicContact CG2-CG2 4.12Å; I431-Y439 CarbonylContact C-O 3.57Å; I431-Y439 WeakPolarHBondContact CA-O 3.17Å; I431-A440 HydrophobicContact CG1-CB 4.38Å; I431-L516 HydrophobicContact CG2-CD2 4.41Å; I431-I518 HydrophobicContact CD1-CD1 3.77Å; I431-I518 HydrophobicContact CG1-CD1 4.47Å; I431-L525 HydrophobicContact CD1-CD1 4.1Å; I431-L525 HydrophobicContact CD1-CD2 4.09Å; I431-L525 HydrophobicContact CG2-CD1 4.31Å; I431-L525 HydrophobicContact CG2-CD2 4.1Å; I431-L539 HydrophobicContact CD1-CD1 3.72Å; I431-L539 HydrophobicContact CD1-CD2 3.66Å; I431-L539 HydrophobicContact CD1-CG 4.35Å |
| 432 | L | 94 | Very high | 90.2 | Very high | 0 Ų | 0 | 18 Ų | 18 | 0% | 0 | 9% | 0.091 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 138.7 | 177.6 | -52.9 | -176.6 | 0 | 0 | 0 | 109.4 | I389 L401 V416 F418 P420 I430 Y439 | I389-L432 HydrophobicContact CD1-CD2 3.33Å; L401-L432 HydrophobicContact CD1-CD1 3.85Å; L401-L432 HydrophobicContact CD2-CD1 3.68Å; L401-L432 HydrophobicContact CD2-CD2 4.26Å; L401-L432 HydrophobicContact CG-CD1 4.3Å; V416-L432 HydrophobicContact CG1-CD1 4.27Å; V416-L432 HydrophobicContact CG2-CD1 4.1Å; F418-L432 HydrophobicContact CE2-CB 4.42Å; F418-L432 HydrophobicContact CZ-CB 4.13Å; P420-L432 HydrophobicContact CB-CB 4.06Å; P420-L432 HydrophobicContact CB-CD2 4.47Å; I430-L432 HydrophobicContact CG2-CD2 3.92Å; I430-L432 HydrophobicContact CG2-CG 4.39Å; L432-Y439 HydrophobicContact CB-CD1 4.29Å; L432-Y439 HydrophobicContact CD1-CD1 3.78Å; L432-Y439 HydrophobicContact CD1-CE1 4.28Å; L432-Y439 HydrophobicContact CG-CD1 4.03Å; L432-Y439 PolarHBondContact N-O 2.99Å; L432-Y439 PolarHBondContact O-N 3.04Å |
| 433 | I | 93.5 | Very high | 89.7 | Confident | 0 Ų | 0 | 16.3 Ų | 16.3 | 0% | 0 | 8% | 0.083 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 149.8 | 171.6 | 57.4 | 163.1 | 0 | 0 | 0 | 112 | P420 I421 Q422 F437 I438 I513 L516 | P420-I433 CarbonylContact C-O 3.54Å; P420-I433 WeakPolarHBondContact CA-O 3.3Å; I421-I433 PolarHBondContact N-O 3.37Å; Q422-I433 HydrophobicContact CB-CD1 3.94Å; Q422-I433 HydrophobicContact CB-CG1 3.91Å; Q422-I433 WeakPolarHBondContact O-CG1 3.46Å; Q422-I433 PolarHBondContact O-N 3.24Å; Q422-I433 VanDerWaalsContact O-N 3.1Å; I433-F437 WeakPolarHBondContact CA-O 3.42Å; I433-I438 HydrophobicContact CG2-CG1 4.24Å; I433-I438 HydrophobicContact CG2-CG2 4.32Å; I433-I513 HydrophobicContact CB-CD1 4.46Å; I433-I513 HydrophobicContact CB-CG2 4.39Å; I433-I513 HydrophobicContact CD1-CG2 3.49Å; I433-I513 VanDerWaalsContact CD1-CG2 3.49Å; I433-I513 HydrophobicContact CG2-CD1 4.38Å; I433-L516 HydrophobicContact CB-CD2 3.97Å; I433-L516 HydrophobicContact CD1-CB 4.16Å; I433-L516 HydrophobicContact CD1-CD2 3.61Å; I433-L516 HydrophobicContact CD1-CG 4Å; I433-L516 HydrophobicContact CG1-CD2 3.48Å; I433-L516 VanDerWaalsContact CG1-CD2 3.48Å; I433-L516 HydrophobicContact CG1-CG 4.36Å; I433-L516 HydrophobicContact CG2-CD2 3.37Å |
| 434 | N | 90.7 | Very high | 88.6 | Confident | 41 Ų | 41 | 20.3 Ų | 20.3 | 22% | 0.219 | 10% | 0.099 | C | C | . | . | trans | -125.4 | -177 | 161.9 | -170.2 | -4.3 | 0 | 0 | 0 | 108 | F418 S436 F437 I513 | F418-N434 HydrophobicContact CD2-CB 3.6Å; F418-N434 HydrophobicContact CE2-CB 3.67Å; N434-S436 PolarHBondContact O-N 3.37Å; N434-F437 PolarHBondContact N-O 3.17Å; N434-I513 WeakPolarHBondContact O-CD1 3.47Å | ||
| 435 | K | 90.5 | Very high | 87.3 | Confident | 110 Ų | 110 | 18.4 Ų | 18.4 | 48% | 0.478 | 9% | 0.091 | S | C | . | . | S | Bend | trans | -51.2 | -24.7 | 179.9 | -65.2 | -160.4 | 176.3 | -169.6 | 0 | 114.3 | I421 P512 I513 | I421-K435 HydrophobicContact CD1-CB 4.44Å; I421-K435 HydrophobicContact CD1-CG 3.57Å; K435-P512 HydrophobicContact CB-CB 3.73Å; K435-P512 HydrophobicContact CD-CB 4.4Å; K435-P512 HydrophobicContact CG-CB 4.28Å; K435-P512 CarbonylContact O-C 3.51Å; K435-P512 WeakPolarHBondContact O-CA 3.4Å; K435-P512 WeakPolarHBondContact O-CB 3.24Å; K435-I513 PolarHBondContact O-N 2.94Å |
| 436 | S | 90.2 | Very high | 85.8 | Confident | 3 Ų | 3 | 21.9 Ų | 21.9 | 2% | 0.021 | 11% | 0.114 | C | C | . | . | S | Bend | trans | -136.7 | -9 | -175.2 | -49.1 | 0 | 0 | 0 | 0 | 114.8 | N434 H472 I473 S509 | N434-S436 PolarHBondContact O-N 3.37Å; S436-H472 WeakPolarHBondContact O-CA 3.05Å; S436-I473 PolarHBondContact O-N 3.18Å; S436-S509 WeakPolarHBondContact OG-CB 3.39Å; S436-S509 PolarHBondContact OG-N 3.17Å |
| 437 | F | 91 | Very high | 84.5 | Confident | 16 Ų | 16 | 27.6 Ų | 27.6 | 7% | 0.07 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 145 | -169.7 | -59.8 | -76.9 | 0 | 0 | 0 | 112 | I433 N434 L470 Y471 H472 I503 M504 | I433-F437 WeakPolarHBondContact CA-O 3.42Å; N434-F437 PolarHBondContact N-O 3.17Å; F437-L470 HydrophobicContact CB-CD1 4.16Å; F437-L470 HydrophobicContact CD1-CD1 4.48Å; F437-Y471 CarbonylContact C-O 3.56Å; F437-Y471 VanDerWaalsContact CA-O 3.3Å; F437-Y471 WeakPolarHBondContact CA-O 3.31Å; F437-H472 HydrophobicContact CD1-CB 4.28Å; F437-H472 HydrophobicContact CE1-CB 4.18Å; F437-H472 AromaticContact CE1-CD2 3.46Å; F437-H472 VanDerWaalsContact CE1-CD2 3.46Å; F437-H472 WeakPolarHBondContact CE1-CD2 3.3Å; F437-H472 AromaticContact CZ-CD2 3.81Å; F437-I503 HydrophobicContact CD1-CG2 4.39Å; F437-I503 HydrophobicContact CE1-CG2 4.05Å; F437-I503 WeakPolarHBondContact CE1-O 3.41Å; F437-M504 HydrophobicContact CZ-CB 4.46Å; F437-M504 HydrophobicContact CZ-CG 4.49Å |
| 438 | I | 91.3 | Very high | 83 | Confident | 1 Ų | 1 | 29.2 Ų | 29.2 | 1% | 0.005 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 122 | 171.6 | -50 | 159.7 | 0 | 0 | 0 | 106.9 | I431 I433 L470 Y471 I473 I513 L525 I527 Y537 L542 | I431-I438 HydrophobicContact CG2-CG2 4.12Å; I433-I438 HydrophobicContact CG2-CG1 4.24Å; I433-I438 HydrophobicContact CG2-CG2 4.32Å; I438-L470 WeakPolarHBondContact O-CA 3.49Å; I438-Y471 PolarHBondContact N-O 3.23Å; I438-Y471 PolarHBondContact O-N 3.46Å; I438-I473 HydrophobicContact CD1-CD1 3.81Å; I438-I473 HydrophobicContact CG1-CD1 4.42Å; I438-I513 HydrophobicContact CG1-CD1 4Å; I438-L525 HydrophobicContact CG2-CD2 4.34Å; I438-I527 HydrophobicContact CD1-CD1 3.21Å; I438-I527 HydrophobicContact CG1-CD1 3.6Å; I438-I527 HydrophobicContact CG2-CD1 4.34Å; I438-Y537 HydrophobicContact CD1-CE2 4.15Å; I438-L542 HydrophobicContact CG2-CD1 4.27Å; I438-L542 HydrophobicContact CG2-CD2 4.41Å |
| 439 | Y | 91 | Very high | 81.3 | Confident | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 129.4 | 174.6 | 173.7 | -97 | 0 | 0 | 0 | 109.3 | L401 V416 F418 I431 L432 W441 E468 R469 L470 V499 W501 | L401-Y439 HydrophobicContact CD1-CE1 4.35Å; V416-Y439 HydrophobicContact CG2-CD1 4.23Å; V416-Y439 HydrophobicContact CG2-CE1 3.65Å; F418-Y439 HydrophobicContact CE1-CG 4.37Å; I431-Y439 CarbonylContact C-O 3.57Å; I431-Y439 WeakPolarHBondContact CA-O 3.17Å; L432-Y439 HydrophobicContact CB-CD1 4.29Å; L432-Y439 HydrophobicContact CD1-CD1 3.78Å; L432-Y439 HydrophobicContact CD1-CE1 4.28Å; L432-Y439 HydrophobicContact CG-CD1 4.03Å; L432-Y439 PolarHBondContact N-O 2.99Å; L432-Y439 PolarHBondContact O-N 3.04Å; Y439-W441 HydrophobicContact CE1-CB 3.7Å; Y439-E468 HydrophobicContact CE2-CB 4.41Å; Y439-E468 VanDerWaalsContact OH-CD 3.26Å; Y439-E468 PolarHBondContact OH-OE2 3.37Å; Y439-R469 CarbonylContact C-O 3.58Å; Y439-R469 WeakPolarHBondContact CA-O 3.43Å; Y439-L470 HydrophobicContact CD2-CB 4.49Å; Y439-L470 HydrophobicContact CD2-CD1 4.38Å; Y439-V499 HydrophobicContact CE2-CG2 4.39Å; Y439-W501 HydrophobicContact CD2-CH2 4.12Å; Y439-W501 AromaticContact CE2-CH2 3.87Å; Y439-W501 HydrophobicContact CE2-CH2 3.87Å; Y439-W501 HydrophobicContact CE2-CZ2 4.13Å |
| 440 | A | 90.3 | Very high | 79.4 | Confident | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 126.8 | 174.2 | 0 | 0 | 0 | 0 | 0 | 110.2 | I430 I431 E468 R469 L542 | I430-A440 CarbonylContact O-C 3.53Å; I430-A440 WeakPolarHBondContact O-CA 3.19Å; I431-A440 HydrophobicContact CG1-CB 4.38Å; A440-E468 CarbonylContact O-C 3.54Å; A440-E468 WeakPolarHBondContact O-CA 3.47Å; A440-R469 PolarHBondContact N-O 3.34Å; A440-R469 PolarHBondContact O-N 3.45Å; A440-L542 HydrophobicContact CB-CD1 3.59Å; A440-L542 HydrophobicContact CB-CG 4.25Å |
| 441 | W | 89.3 | Confident | 77.2 | Confident | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 118.4 | 176.4 | 173.9 | 47.8 | 0 | 0 | 0 | 110 | L401 M403 E412 K414 Q429 I430 Y439 E468 | L401-W441 HydrophobicContact CD1-CE3 4.14Å; M403-W441 HydrophobicContact CG-CH2 3.95Å; M403-W441 HydrophobicContact CG-CZ3 3.79Å; E412-W441 HydrophobicContact CG-CH2 4.16Å; E412-W441 HydrophobicContact CG-CZ2 4.23Å; K414-W441 HydrophobicContact CB-CD2 4.41Å; K414-W441 HydrophobicContact CB-CE3 4.37Å; K414-W441 HydrophobicContact CB-CH2 4.15Å; K414-W441 HydrophobicContact CB-CZ2 4.16Å; K414-W441 HydrophobicContact CB-CZ3 4.24Å; K414-W441 HydrophobicContact CG-CD2 4.46Å; Q429-W441 CarbonylContact C-O 3.57Å; Q429-W441 VanDerWaalsContact CA-O 3.26Å; Q429-W441 WeakPolarHBondContact CA-O 3.36Å; I430-W441 HydrophobicContact CB-CE3 4.32Å; I430-W441 HydrophobicContact CD1-CE3 3.41Å; I430-W441 VanDerWaalsContact CD1-CE3 3.41Å; I430-W441 HydrophobicContact CD1-CZ3 3.41Å; I430-W441 VanDerWaalsContact CD1-CZ3 3.41Å; I430-W441 HydrophobicContact CG1-CE3 4.31Å; I430-W441 PolarHBondContact N-O 3.37Å; I430-W441 PolarHBondContact O-N 3.49Å; Y439-W441 HydrophobicContact CE1-CB 3.7Å; W441-E468 HydrophobicContact CG-CG 4.42Å |
| 442 | Q | 86.5 | Confident | 74.7 | Confident | 31 Ų | 31 | 51 Ų | 51 | 15% | 0.145 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 103.7 | 179.1 | -174.7 | 174.7 | -20.5 | 0 | 0 | 110.7 | N428 Q429 G466 I467 | N428-Q442 CarbonylContact O-C 3.47Å; N428-Q442 VanDerWaalsContact O-CA 3.29Å; N428-Q442 WeakPolarHBondContact O-CA 3.3Å; N428-Q442 WeakPolarHBondContact O-CG 3.38Å; Q429-Q442 HydrophobicContact CG-CB 3.92Å; Q429-Q442 HydrophobicContact CG-CG 4.02Å; Q442-G466 CarbonylContact O-C 3.54Å; Q442-G466 WeakPolarHBondContact O-CA 3.5Å; Q442-I467 HydrophobicContact CB-CB 4.13Å; Q442-I467 VanDerWaalsContact CB-O 3.31Å; Q442-I467 WeakPolarHBondContact CB-O 3.37Å; Q442-I467 PolarHBondContact N-O 2.97Å; Q442-I467 PolarHBondContact O-N 3.12Å |
| 443 | Y | 80.2 | Confident | 71.8 | Confident | 4 Ų | 4 | 55 Ų | 55 | 2% | 0.016 | 30% | 0.301 | C | S | . | . | P | Polyproline II helix | trans | -84.7 | 149.5 | 179.5 | 63.6 | -88.3 | 0 | 0 | 0 | 111.5 | Y385 M403 M425 T426 S427 N428 Q429 I430 T445 | Y385-Y443 HydrophobicContact CD2-CE2 4.1Å; Y385-Y443 HydrophobicContact CE2-CE2 4.41Å; Y385-Y443 HydrophobicContact CG-CE2 4.45Å; M403-Y443 HydrophobicContact CE-CD1 4.12Å; M403-Y443 HydrophobicContact CE-CD2 3.6Å; M403-Y443 HydrophobicContact CE-CE1 4.15Å; M403-Y443 HydrophobicContact CE-CE2 3.62Å; M403-Y443 HydrophobicContact CE-CG 3.86Å; M425-Y443 HydrophobicContact CE-CE1 3.64Å; M425-Y443 HydrophobicContact CE-CE2 4.27Å; M425-Y443 VanDerWaalsContact CE-CZ 3.45Å; M425-Y443 WeakPolarHBondContact CE-OH 3.49Å; M425-Y443 HydrophobicContact CG-CE1 4.41Å; T426-Y443 PolarHBondContact O-OH 3.26Å; S427-Y443 WeakPolarHBondContact CA-OH 3.3Å; S427-Y443 PolarHBondContact O-OH 3.37Å; S427-Y443 VanDerWaalsContact O-OH 3.13Å; N428-Y443 PolarHBondContact N-OH 3.27Å; N428-Y443 PolarHBondContact O-N 3.16Å; N428-Y443 VanDerWaalsContact O-N 3.16Å; Q429-Y443 VanDerWaalsContact N-CE1 3.33Å; I430-Y443 HydrophobicContact CD1-CD1 4.24Å; I430-Y443 HydrophobicContact CG1-CD1 4.01Å; I430-Y443 HydrophobicContact CG1-CE1 4.12Å; Y443-T445 HydrophobicContact CD2-CG2 4.07Å; Y443-T445 HydrophobicContact CE2-CG2 3.63Å |
| 444 | F | 69.7 | Low | 69.2 | Low | 90 Ų | 90 | 61.9 Ų | 61.9 | 40% | 0.395 | 33% | 0.331 | S | S | . | . | P | Polyproline II helix | trans | -89.1 | 128.6 | 176.8 | -79.5 | -79.8 | 0 | 0 | 0 | 111.1 | Q463 | F444-Q463 WeakPolarHBondContact CE2-O 3.35Š|
| 445 | T | 66.2 | Low | 66.6 | Low | 9 Ų | 9 | 69 Ų | 69 | 6% | 0.055 | 36% | 0.36 | C | S | . | . | P | Polyproline II helix | trans | -92.3 | 141.9 | 172.1 | 57.5 | 0 | 0 | 0 | 0 | 110.5 | Y385 Y443 K447 Q448 T449 | Y385-T445 HydrophobicContact CD2-CG2 4.39Å; Y385-T445 HydrophobicContact CE2-CG2 3.53Å; Y443-T445 HydrophobicContact CD2-CG2 4.07Å; Y443-T445 HydrophobicContact CE2-CG2 3.63Å; T445-K447 PolarHBondContact O-N 3.03Å; T445-K447 VanDerWaalsContact O-N 3.14Å; T445-Q448 PolarHBondContact O-N 3.21Å; T445-Q448 VanDerWaalsContact OG1-CG 3.24Å; T445-Q448 WeakPolarHBondContact OG1-CG 3.26Å; T445-Q448 PolarHBondContact OG1-NE2 3.33Å; T445-T449 PolarHBondContact O-N 2.93Å |
| 446 | P | 59.7 | Low | 64 | Low | 78 Ų | 78 | 71.2 Ų | 71.2 | 51% | 0.506 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -54.8 | -33.4 | 174.3 | -25.1 | 33.2 | 0 | 0 | 0 | 112.7 | Q448 T449 | P446-Q448 VanDerWaalsContact C-N 3.3Å; P446-Q448 PolarHBondContact O-N 3.17Å; P446-T449 PolarHBondContact O-N 3.48Å; P446-T449 VanDerWaalsContact O-N 3.15Å; P446-T449 PolarHBondContact O-OG1 2.92Å |
| 447 | K | 59.7 | Low | 61.5 | Low | 133 Ų | 133 | 74.5 Ų | 74.5 | 58% | 0.578 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -58.8 | -37.8 | 176 | -68.7 | 177.4 | 177.7 | 169 | 0 | 112.4 | D384 T445 | D384-K447 IonicContact OD2-NZ 2.77Å; D384-K447 PolarHBondContact OD2-NZ 2.88Å; T445-K447 PolarHBondContact O-N 3.03Å; T445-K447 VanDerWaalsContact O-N 3.14Å |
| 448 | Q | 53.5 | Low | 59 | Low | 65 Ų | 65 | 79.1 Ų | 79.1 | 30% | 0.304 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -75.4 | -22.9 | 178.7 | -72.6 | 168 | 13.6 | 0 | 0 | 113.4 | T445 P446 L450 | T445-Q448 PolarHBondContact O-N 3.21Å; T445-Q448 VanDerWaalsContact OG1-CG 3.24Å; T445-Q448 WeakPolarHBondContact OG1-CG 3.26Å; T445-Q448 PolarHBondContact OG1-NE2 3.33Å; P446-Q448 VanDerWaalsContact C-N 3.3Å; P446-Q448 PolarHBondContact O-N 3.17Å; Q448-L450 PolarHBondContact O-N 3.2Å |
| 449 | T | 48 | Very low | 56.5 | Low | 82 Ų | 82 | 83.2 Ų | 83.2 | 50% | 0.503 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -72.9 | -16.3 | 177.9 | 61.6 | 0 | 0 | 0 | 0 | 113.7 | T445 P446 | T445-T449 PolarHBondContact O-N 2.93Å; P446-T449 PolarHBondContact O-N 3.48Å; P446-T449 VanDerWaalsContact O-N 3.15Å; P446-T449 PolarHBondContact O-OG1 2.92Å |
| 450 | L | 47.1 | Very low | 54.1 | Low | 147 Ų | 147 | 84.7 Ų | 84.7 | 77% | 0.77 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -92.4 | -29.4 | -179.2 | -79.4 | 150 | 0 | 0 | 0 | 113.6 | Q448 | Q448-L450 PolarHBondContact O-N 3.2Å |
| 451 | D | 45.5 | Very low | 51.7 | Low | 153 Ų | 153 | 89.7 Ų | 89.7 | 82% | 0.818 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -84.7 | -16.9 | -177.3 | -86.6 | -16.3 | 0 | 0 | 0 | 114.1 | ||
| 452 | L | 39.8 | Very low | 49.3 | Very low | 108 Ų | 108 | 100.4 Ų | 100.4 | 57% | 0.565 | 53% | 0.528 | S | S | * | . | S | Bend | trans | -105.8 | 95.2 | 175.6 | -73.3 | 147.6 | 0 | 0 | 0 | 108.1 | F454 | L452-F454 HydrophobicContact CB-CD2 3.9Å; L452-F454 HydrophobicContact CB-CE2 4.22Å; L452-F454 HydrophobicContact CD2-CE2 4.33Å; L452-F454 PolarHBondContact O-N 2.9Å |
| 453 | G | 35.1 | Very low | 47.3 | Very low | 84 Ų | 84 | 104.4 Ų | 104.4 | 87% | 0.866 | 55% | 0.547 | S | S | * | . | trans | -61.3 | 55.4 | -177.3 | 0 | 0 | 0 | 0 | 0 | 116.3 | K455 | G453-K455 PolarHBondContact O-N 3.27Š| ||
| 454 | F | 38.2 | Very low | 45.8 | Very low | 144 Ų | 144 | 112.8 Ų | 112.8 | 63% | 0.632 | 58% | 0.578 | S | S | * | * | trans | -75.8 | 119.4 | 177.4 | -89.1 | -83.1 | 0 | 0 | 0 | 110.4 | L452 F456 | L452-F454 HydrophobicContact CB-CD2 3.9Å; L452-F454 HydrophobicContact CB-CE2 4.22Å; L452-F454 HydrophobicContact CD2-CE2 4.33Å; L452-F454 PolarHBondContact O-N 2.9Å; F454-F456 PolarHBondContact O-N 3.08Å | ||
| 455 | K | 34.8 | Very low | 44.9 | Very low | 190 Ų | 190 | 113 Ų | 113 | 83% | 0.826 | 58% | 0.584 | S | S | * | * | trans | -66.2 | 114.5 | 162.1 | -73 | -178.8 | 177.1 | 178.9 | 0 | 108.1 | G453 T457 | G453-K455 PolarHBondContact O-N 3.27Å; K455-T457 PolarHBondContact O-N 3.42Å; K455-T457 VanDerWaalsContact O-N 3.16Å | ||
| 456 | F | 36.9 | Very low | 44.6 | Very low | 158 Ų | 158 | 112.7 Ų | 112.7 | 69% | 0.693 | 58% | 0.582 | S | S | * | * | trans | -58.2 | 115.4 | 175.9 | -74.1 | -84.1 | 0 | 0 | 0 | 110.8 | F454 | F454-F456 PolarHBondContact O-N 3.08Š| ||
| 457 | T | 36.8 | Very low | 45.3 | Very low | 72 Ų | 72 | 111 Ų | 111 | 44% | 0.442 | 57% | 0.568 | S | S | . | * | trans | -107.2 | 155 | 165 | 54.2 | 0 | 0 | 0 | 0 | 108.6 | K455 S459 T460 | K455-T457 PolarHBondContact O-N 3.42Å; K455-T457 VanDerWaalsContact O-N 3.16Å; T457-S459 PolarHBondContact O-N 2.89Å; T457-S459 PolarHBondContact OG1-OG 2.92Å; T457-T460 PolarHBondContact N-OG1 3.26Å; T457-T460 PolarHBondContact O-N 3.37Å; T457-T460 PolarHBondContact O-OG1 3.45Å; T457-T460 PolarHBondContact OG1-OG1 3.39Å; T457-T460 VanDerWaalsContact OG1-OG1 3.05Å | ||
| 458 | S | 39.8 | Very low | 46.3 | Very low | 112 Ų | 112 | 105.3 Ų | 105.3 | 78% | 0.783 | 54% | 0.544 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.5 | -17.4 | 179.7 | 46 | 0 | 0 | 0 | 0 | 114.1 | ||
| 459 | S | 39.6 | Very low | 47.8 | Very low | 87 Ų | 87 | 104 Ų | 104 | 61% | 0.608 | 54% | 0.536 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.2 | -25.5 | 173.7 | 55.9 | 0 | 0 | 0 | 0 | 114.5 | T457 I461 | T457-S459 PolarHBondContact O-N 2.89Å; T457-S459 PolarHBondContact OG1-OG 2.92Å; S459-I461 VanDerWaalsContact C-N 3.31Å |
| 460 | T | 39.3 | Very low | 49.6 | Very low | 32 Ų | 32 | 100.6 Ų | 100.6 | 20% | 0.196 | 52% | 0.515 | C | S | . | . | G | 310 helix | trans | -78.4 | -15.3 | 177.5 | 21.4 | 0 | 0 | 0 | 0 | 112.7 | T457 R462 Q463 | T457-T460 PolarHBondContact N-OG1 3.26Å; T457-T460 PolarHBondContact O-N 3.37Å; T457-T460 PolarHBondContact O-OG1 3.45Å; T457-T460 PolarHBondContact OG1-OG1 3.39Å; T457-T460 VanDerWaalsContact OG1-OG1 3.05Å; T460-R462 VanDerWaalsContact C-N 3.25Å; T460-R462 PolarHBondContact O-N 2.93Å; T460-Q463 PolarHBondContact O-N 3.46Å; T460-Q463 VanDerWaalsContact O-N 3.13Å |
| 461 | I | 40.4 | Very low | 51.4 | Low | 105 Ų | 105 | 97.2 Ų | 97.2 | 54% | 0.538 | 49% | 0.492 | S | S | . | . | G | 310 helix | trans | -68.2 | -25.7 | 177.3 | -61.6 | 174.1 | 0 | 0 | 0 | 111.7 | S459 | S459-I461 VanDerWaalsContact C-N 3.31Š|
| 462 | R | 39.6 | Very low | 53.5 | Low | 224 Ų | 224 | 90.5 Ų | 90.5 | 85% | 0.845 | 46% | 0.456 | S | S | * | . | G | 310 helix | trans | -79 | -11.7 | 173.1 | -72.6 | -171.1 | 179.4 | -173.3 | -0.4 | 114.2 | T460 R464 | T460-R462 VanDerWaalsContact C-N 3.25Å; T460-R462 PolarHBondContact O-N 2.93Å; R462-R464 PolarHBondContact O-N 2.93Å |
| 463 | Q | 43.4 | Very low | 55.7 | Low | 115 Ų | 115 | 85.4 Ų | 85.4 | 54% | 0.537 | 43% | 0.429 | S | S | . | . | G | 310 helix | trans | -83.6 | 7.2 | 177.7 | -74.7 | -175.8 | -24 | 0 | 0 | 113.8 | F444 T460 D465 | F444-Q463 WeakPolarHBondContact CE2-O 3.35Å; T460-Q463 PolarHBondContact O-N 3.46Å; T460-Q463 VanDerWaalsContact O-N 3.13Å; Q463-D465 VanDerWaalsContact C-N 3.26Å; Q463-D465 PolarHBondContact O-N 3.18Å |
| 464 | R | 48.2 | Very low | 58.1 | Low | 180 Ų | 180 | 84.7 Ų | 84.7 | 68% | 0.679 | 41% | 0.406 | S | S | * | . | G | 310 helix | trans | -70.3 | -21.7 | 176.6 | -78.5 | -169 | 175.8 | -175.7 | -0.1 | 113.5 | R462 G466 | R462-R464 PolarHBondContact O-N 2.93Å; R464-G466 PolarHBondContact O-N 3.41Å; R464-G466 VanDerWaalsContact O-N 3.08Å |
| 465 | D | 51.7 | Low | 59.9 | Low | 96 Ų | 96 | 81.2 Ų | 81.2 | 51% | 0.513 | 40% | 0.396 | S | S | . | . | S | Bend | trans | -71.5 | 104.2 | 172.6 | -68.5 | -34.3 | 0 | 0 | 0 | 108 | Q463 | Q463-D465 VanDerWaalsContact C-N 3.26Å; Q463-D465 PolarHBondContact O-N 3.18Å |
| 466 | G | 59.2 | Low | 61.4 | Low | 1 Ų | 1 | 75 Ų | 75 | 1% | 0.01 | 37% | 0.371 | C | S | . | . | trans | -44.8 | 157 | -179.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | Q442 R464 E468 | Q442-G466 CarbonylContact O-C 3.54Å; Q442-G466 WeakPolarHBondContact O-CA 3.5Å; R464-G466 PolarHBondContact O-N 3.41Å; R464-G466 VanDerWaalsContact O-N 3.08Å; G466-E468 PolarHBondContact O-N 2.98Å | ||
| 467 | I | 74.8 | Confident | 62.2 | Low | 42 Ų | 42 | 71 Ų | 71 | 22% | 0.215 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.8 | 123.8 | 179.1 | -56.3 | 173.5 | 0 | 0 | 0 | 109.5 | Q442 | Q442-I467 HydrophobicContact CB-CB 4.13Å; Q442-I467 VanDerWaalsContact CB-O 3.31Å; Q442-I467 WeakPolarHBondContact CB-O 3.37Å; Q442-I467 PolarHBondContact N-O 2.97Å; Q442-I467 PolarHBondContact O-N 3.12Å |
| 468 | E | 81.6 | Confident | 62.4 | Low | 15 Ų | 15 | 73.7 Ų | 73.7 | 7% | 0.07 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 143.5 | -179.6 | -68.3 | 178.4 | -124.7 | 0 | 0 | 111.7 | K414 Y439 A440 W441 G466 V499 | K414-E468 VanDerWaalsContact CE-CD 3.49Å; K414-E468 WeakPolarHBondContact CE-OE1 3.45Å; K414-E468 IonicContact NZ-OE1 2.68Å; K414-E468 PolarHBondContact NZ-OE1 3.32Å; Y439-E468 HydrophobicContact CE2-CB 4.41Å; Y439-E468 VanDerWaalsContact OH-CD 3.26Å; Y439-E468 PolarHBondContact OH-OE2 3.37Å; A440-E468 CarbonylContact O-C 3.54Å; A440-E468 WeakPolarHBondContact O-CA 3.47Å; W441-E468 HydrophobicContact CG-CG 4.42Å; G466-E468 PolarHBondContact O-N 2.98Å; E468-V499 HydrophobicContact CB-CG2 3.32Å; E468-V499 HydrophobicContact CG-CG2 4.49Å |
| 469 | R | 84.4 | Confident | 62.3 | Low | 36 Ų | 36 | 77 Ų | 77 | 14% | 0.136 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.6 | 137.8 | 175.6 | -58.9 | -179.8 | -180 | 76.4 | -8.9 | 110.5 | Y439 A440 Y471 P540 D541 L542 | Y439-R469 CarbonylContact C-O 3.58Å; Y439-R469 WeakPolarHBondContact CA-O 3.43Å; A440-R469 PolarHBondContact N-O 3.34Å; A440-R469 PolarHBondContact O-N 3.45Å; R469-Y471 HydrophobicContact CB-CD2 4.28Å; R469-Y471 HydrophobicContact CB-CE2 3.68Å; R469-Y471 HydrophobicContact CG-CE2 4.4Å; R469-P540 PolarHBondContact NH1-O 2.82Å; R469-D541 IonicContact CZ-OD1 2.72Å; R469-D541 IonicContact NH2-OD1 2.68Å; R469-D541 PolarHBondContact NH2-OD1 3.03Å; R469-L542 HydrophobicContact CB-CD1 4.3Å |
| 470 | L | 85.8 | Confident | 61.8 | Low | 12 Ų | 12 | 77.4 Ų | 77.4 | 6% | 0.063 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 127.5 | 174.8 | 179.5 | 67.3 | 0 | 0 | 0 | 109.3 | F418 F437 I438 Y439 V499 W501 I503 M504 | F418-L470 HydrophobicContact CE1-CD1 4.16Å; F437-L470 HydrophobicContact CB-CD1 4.16Å; F437-L470 HydrophobicContact CD1-CD1 4.48Å; I438-L470 WeakPolarHBondContact O-CA 3.49Å; Y439-L470 HydrophobicContact CD2-CB 4.49Å; Y439-L470 HydrophobicContact CD2-CD1 4.38Å; L470-V499 HydrophobicContact CB-CG1 3.48Å; L470-V499 VanDerWaalsContact CB-CG1 3.48Å; L470-V499 HydrophobicContact CD2-CG1 3.86Å; L470-V499 HydrophobicContact CG-CG1 4.32Å; L470-W501 HydrophobicContact CD2-CE3 4.08Å; L470-W501 HydrophobicContact CD2-CZ3 4.34Å; L470-I503 HydrophobicContact CD2-CB 4.14Å; L470-M504 HydrophobicContact CD2-CG 4.2Å |
| 471 | Y | 85.4 | Confident | 61.2 | Low | 76 Ų | 76 | 79.3 Ų | 79.3 | 30% | 0.298 | 39% | 0.394 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 141.8 | 179.6 | -69.2 | -88.3 | 0 | 0 | 0 | 111.1 | F437 I438 R469 L542 | F437-Y471 CarbonylContact C-O 3.56Å; F437-Y471 VanDerWaalsContact CA-O 3.3Å; F437-Y471 WeakPolarHBondContact CA-O 3.31Å; I438-Y471 PolarHBondContact N-O 3.23Å; I438-Y471 PolarHBondContact O-N 3.46Å; R469-Y471 HydrophobicContact CB-CD2 4.28Å; R469-Y471 HydrophobicContact CB-CE2 3.68Å; R469-Y471 HydrophobicContact CG-CE2 4.4Å; Y471-L542 HydrophobicContact CD2-CB 4.06Å; Y471-L542 HydrophobicContact CD2-CD1 3.45Å; Y471-L542 VanDerWaalsContact CD2-CD1 3.45Å; Y471-L542 HydrophobicContact CD2-CG 4.41Å; Y471-L542 HydrophobicContact CE2-CB 3.62Å; Y471-L542 HydrophobicContact CE2-CD1 3.53Å; Y471-L542 HydrophobicContact CE2-CG 4.21Å |
| 472 | H | 88.2 | Confident | 60.5 | Low | 12 Ų | 12 | 80.2 Ų | 80.2 | 6% | 0.056 | 41% | 0.41 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 133.3 | 165.2 | -172.9 | -84.4 | 0 | 0 | 0 | 109.5 | S436 F437 D474 T475 I503 Q506 P507 | S436-H472 WeakPolarHBondContact O-CA 3.05Å; F437-H472 HydrophobicContact CD1-CB 4.28Å; F437-H472 HydrophobicContact CE1-CB 4.18Å; F437-H472 AromaticContact CE1-CD2 3.46Å; F437-H472 VanDerWaalsContact CE1-CD2 3.46Å; F437-H472 WeakPolarHBondContact CE1-CD2 3.3Å; F437-H472 AromaticContact CZ-CD2 3.81Å; H472-D474 VanDerWaalsContact C-N 3.25Å; H472-D474 IonicContact CE1-OD2 2.83Å; H472-D474 PolarHBondContact CE1-OD2 3.25Å; H472-D474 VanDerWaalsContact CE1-OD2 3.23Å; H472-D474 PolarHBondContact ND1-N 2.99Å; H472-D474 IonicContact ND1-OD2 2.75Å; H472-D474 PolarHBondContact O-N 2.89Å; H472-T475 PolarHBondContact O-N 3.24Å; H472-I503 HydrophobicContact CB-CG2 4.23Å; H472-Q506 PolarHBondContact CD2-OE1 2.98Å; H472-P507 PolarHBondContact NE2-O 3.31Å; H472-P507 VanDerWaalsContact NE2-O 3.14Å |
| 473 | I | 86.3 | Confident | 60 | Low | 0 Ų | 0 | 75 Ų | 75 | 0% | 0 | 41% | 0.407 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.8 | -31.8 | -171.5 | -167.3 | 66.7 | 0 | 0 | 0 | 113.5 | S436 I438 T475 I513 I527 | S436-I473 PolarHBondContact O-N 3.18Å; I438-I473 HydrophobicContact CD1-CD1 3.81Å; I438-I473 HydrophobicContact CG1-CD1 4.42Å; I473-T475 VanDerWaalsContact C-N 3.32Å; I473-I513 HydrophobicContact CB-CD1 4.03Å; I473-I513 HydrophobicContact CB-CG1 4.14Å; I473-I513 HydrophobicContact CD1-CD1 3.9Å; I473-I513 HydrophobicContact CD1-CG1 3.99Å; I473-I513 HydrophobicContact CG1-CD1 4.05Å; I473-I513 HydrophobicContact CG1-CG1 3.83Å; I473-I513 HydrophobicContact CG2-CG1 4.43Å; I473-I527 HydrophobicContact CD1-CD1 4.46Å; I473-I527 HydrophobicContact CD1-CG2 4.08Å |
| 474 | D | 85.4 | Confident | 59.2 | Low | 70 Ų | 70 | 74.2 Ų | 74.2 | 37% | 0.374 | 42% | 0.415 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.6 | -11.6 | 179.5 | -64.3 | -47 | 0 | 0 | 0 | 113.4 | H472 I476 S509 R529 | H472-D474 VanDerWaalsContact C-N 3.25Å; H472-D474 IonicContact CE1-OD2 2.83Å; H472-D474 PolarHBondContact CE1-OD2 3.25Å; H472-D474 VanDerWaalsContact CE1-OD2 3.23Å; H472-D474 PolarHBondContact ND1-N 2.99Å; H472-D474 IonicContact ND1-OD2 2.75Å; H472-D474 PolarHBondContact O-N 2.89Å; D474-I476 PolarHBondContact O-N 2.96Å; D474-S509 VanDerWaalsContact CG-OG 3.28Å; D474-S509 PolarHBondContact OD1-OG 3.18Å; D474-S509 WeakPolarHBondContact OD2-CA 3.46Å; D474-S509 WeakPolarHBondContact OD2-CB 3.45Å; D474-S509 PolarHBondContact OD2-OG 3.3Å; D474-R529 IonicContact OD1-CZ 3.33Å; D474-R529 IonicContact OD1-NH1 3.27Å; D474-R529 IonicContact OD1-NH2 3.46Å; D474-R529 PolarHBondContact OD1-NH2 3.43Å; D474-R529 IonicContact OD2-NH2 2.74Å |
| 475 | T | 77.1 | Confident | 58.5 | Low | 71 Ų | 71 | 75.2 Ų | 75.2 | 44% | 0.436 | 43% | 0.425 | S | S | . | . | trans | -91.7 | 81.2 | -177.2 | -44.8 | 0 | 0 | 0 | 0 | 110.6 | H472 I473 S477 | H472-T475 PolarHBondContact O-N 3.24Å; I473-T475 VanDerWaalsContact C-N 3.32Å; T475-S477 PolarHBondContact O-N 3.33Å; T475-S477 VanDerWaalsContact O-N 3.11Å | ||
| 476 | I | 66.3 | Low | 57.5 | Low | 58 Ų | 58 | 77 Ų | 77 | 30% | 0.297 | 44% | 0.439 | S | S | . | . | trans | -76.6 | 97.5 | 175.5 | -55.9 | 171.5 | 0 | 0 | 0 | 109.2 | D474 L478 F544 | D474-I476 PolarHBondContact O-N 2.96Å; I476-L478 HydrophobicContact CG2-CD1 4.35Å; I476-L478 HydrophobicContact CG2-CG 4.13Å; I476-L478 PolarHBondContact O-N 3.42Å; I476-L478 VanDerWaalsContact O-N 3.11Å; I476-F544 HydrophobicContact CG2-CD1 3.69Å; I476-F544 HydrophobicContact CG2-CE1 3.92Å; I476-F544 HydrophobicContact CG2-CG 4.03Å; I476-F544 HydrophobicContact CG2-CZ 4.45Å | ||
| 477 | S | 52.7 | Low | 56.1 | Low | 76 Ų | 76 | 84.2 Ų | 84.2 | 53% | 0.531 | 48% | 0.477 | S | S | . | . | trans | -79.7 | 88.4 | 172.4 | -65.5 | 0 | 0 | 0 | 0 | 110.5 | T475 R479 | T475-S477 PolarHBondContact O-N 3.33Å; T475-S477 VanDerWaalsContact O-N 3.11Å; S477-R479 PolarHBondContact O-N 2.74Å | ||
| 478 | L | 41.4 | Very low | 53.9 | Low | 127 Ų | 127 | 89.9 Ų | 89.9 | 67% | 0.665 | 51% | 0.508 | S | S | * | . | trans | -69.5 | 90.6 | 169.2 | -80.6 | 145.4 | 0 | 0 | 0 | 109.8 | I476 T480 | I476-L478 HydrophobicContact CG2-CD1 4.35Å; I476-L478 HydrophobicContact CG2-CG 4.13Å; I476-L478 PolarHBondContact O-N 3.42Å; I476-L478 VanDerWaalsContact O-N 3.11Å; L478-T480 PolarHBondContact O-N 3.27Å | ||
| 479 | R | 36.5 | Very low | 51.4 | Low | 182 Ų | 182 | 94.9 Ų | 94.9 | 69% | 0.687 | 54% | 0.535 | S | S | * | . | trans | -78.9 | 75.8 | 164.2 | -71.4 | -166.2 | -168.9 | -172.1 | 5.3 | 109.4 | S477 | S477-R479 PolarHBondContact O-N 2.74Š| ||
| 480 | T | 29.9 | Very low | 48.9 | Very low | 96 Ų | 96 | 100.5 Ų | 100.5 | 59% | 0.589 | 57% | 0.566 | S | S | * | * | trans | -140.5 | 115.6 | 173.8 | 51.9 | 0 | 0 | 0 | 0 | 111.6 | L478 | L478-T480 PolarHBondContact O-N 3.27Š| ||
| 481 | G | 26.5 | Very low | 46.3 | Very low | 71 Ų | 71 | 104 Ų | 104 | 73% | 0.732 | 59% | 0.592 | S | S | * | * | trans | 98.5 | 106.8 | 146.2 | 0 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 482 | S | 26.7 | Very low | 43.9 | Very low | 124 Ų | 124 | 104.3 Ų | 104.3 | 87% | 0.867 | 61% | 0.605 | S | S | * | * | trans | 57.8 | 94.6 | 146.2 | 64.3 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 483 | S | 28.7 | Very low | 41.4 | Very low | 114 Ų | 114 | 106.9 Ų | 106.9 | 80% | 0.797 | 62% | 0.624 | S | S | * | * | trans | -155.6 | 131.2 | 131.2 | 55.4 | 0 | 0 | 0 | 0 | 110.5 | F485 | S483-F485 PolarHBondContact O-N 2.8Š| ||
| 484 | S | 26.4 | Very low | 39.2 | Very low | 100 Ų | 100 | 110.8 Ų | 110.8 | 70% | 0.699 | 65% | 0.648 | S | S | * | * | trans | -51.8 | 113.3 | 174.3 | 48.6 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 485 | F | 32.6 | Very low | 37 | Very low | 201 Ų | 201 | 114.2 Ų | 114.2 | 88% | 0.882 | 66% | 0.66 | S | S | * | * | trans | -152.2 | 119 | 138.7 | -81.9 | -68 | 0 | 0 | 0 | 108 | S483 D487 | S483-F485 PolarHBondContact O-N 2.8Å; F485-D487 PolarHBondContact O-N 2.99Å | ||
| 486 | V | 30.7 | Very low | 35.5 | Very low | 133 Ų | 133 | 117.6 Ų | 117.6 | 81% | 0.806 | 67% | 0.671 | S | S | * | * | trans | -62.9 | 115.9 | 165 | 175.3 | 0 | 0 | 0 | 0 | 105.8 | ||||
| 487 | D | 30.3 | Very low | 34.9 | Very low | 153 Ų | 153 | 118.4 Ų | 118.4 | 82% | 0.818 | 68% | 0.678 | S | S | * | * | trans | -164.1 | 127.9 | 149.7 | -90.1 | -26.6 | 0 | 0 | 0 | 109.6 | F485 D489 | F485-D487 PolarHBondContact O-N 2.99Å; D487-D489 PolarHBondContact O-N 2.99Å | ||
| 488 | D | 27.9 | Very low | 35.3 | Very low | 161 Ų | 161 | 122.7 Ų | 122.7 | 86% | 0.861 | 69% | 0.69 | S | S | * | * | trans | -68.6 | 79.3 | -171.3 | -78.4 | -42.3 | 0 | 0 | 0 | 113.7 | ||||
| 489 | D | 30.9 | Very low | 36.7 | Very low | 120 Ų | 120 | 117.6 Ų | 117.6 | 64% | 0.642 | 66% | 0.664 | S | S | * | * | trans | -147 | 38.7 | 173.9 | -102.9 | -23.2 | 0 | 0 | 0 | 115.5 | D487 S491 S492 | D487-D489 PolarHBondContact O-N 2.99Å; D489-S491 PolarHBondContact O-N 3.16Å; D489-S491 VanDerWaalsContact O-N 3.14Å; D489-S492 PolarHBondContact O-OG 3.03Å | ||
| 490 | I | 31.5 | Very low | 38.5 | Very low | 154 Ų | 154 | 113.2 Ų | 113.2 | 79% | 0.79 | 65% | 0.654 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.2 | -4.1 | 178.1 | -63.4 | 171.3 | 0 | 0 | 0 | 112.7 | ||
| 491 | S | 31.7 | Very low | 40.9 | Very low | 86 Ų | 86 | 111.1 Ų | 111.1 | 60% | 0.601 | 64% | 0.635 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.1 | -11.2 | -174.4 | 67.8 | 0 | 0 | 0 | 0 | 115.6 | D489 | D489-S491 PolarHBondContact O-N 3.16Å; D489-S491 VanDerWaalsContact O-N 3.14Å |
| 492 | S | 34.5 | Very low | 43.4 | Very low | 82 Ų | 82 | 113 Ų | 113 | 57% | 0.573 | 63% | 0.628 | S | S | * | * | S | Bend | trans | -98.3 | -20.1 | -167 | 60 | 0 | 0 | 0 | 0 | 116 | D489 | D489-S492 PolarHBondContact O-OG 3.03Š|
| 493 | S | 34.2 | Very low | 45.9 | Very low | 65 Ų | 65 | 109 Ų | 109 | 46% | 0.455 | 60% | 0.597 | S | S | . | * | S | Bend | trans | -104.3 | 0.3 | -173 | 64.5 | 0 | 0 | 0 | 0 | 115.9 | ||
| 494 | V | 41.2 | Very low | 48.2 | Very low | 82 Ų | 82 | 106.2 Ų | 106.2 | 50% | 0.497 | 57% | 0.572 | S | S | . | * | S | Bend | trans | -96 | -11.8 | 179.9 | -177.8 | 0 | 0 | 0 | 0 | 112 | ||
| 495 | F | 39.2 | Very low | 50.8 | Low | 143 Ų | 143 | 107.8 Ų | 107.8 | 63% | 0.627 | 57% | 0.573 | S | S | * | * | trans | -123.4 | 37.7 | -173.5 | -59.6 | -73.6 | 0 | 0 | 0 | 113.5 | T497 | F495-T497 PolarHBondContact O-N 3.24Å; F495-T497 VanDerWaalsContact O-N 3.09Å | ||
| 496 | Q | 46.6 | Very low | 53.1 | Low | 142 Ų | 142 | 101.8 Ų | 101.8 | 66% | 0.664 | 55% | 0.547 | S | S | * | . | trans | -67.2 | 110.4 | 168 | -90.9 | -179.3 | -23.4 | 0 | 0 | 109.2 | ||||
| 497 | T | 53.3 | Low | 55.6 | Low | 74 Ų | 74 | 100.5 Ų | 100.5 | 45% | 0.454 | 54% | 0.542 | S | S | . | . | trans | -91.2 | -20.8 | 176.2 | 32.8 | 0 | 0 | 0 | 0 | 111.8 | F495 | F495-T497 PolarHBondContact O-N 3.24Å; F495-T497 VanDerWaalsContact O-N 3.09Å | ||
| 498 | E | 60.2 | Low | 58.1 | Low | 167 Ų | 167 | 98.4 Ų | 98.4 | 78% | 0.78 | 53% | 0.534 | S | S | * | . | S | Bend | trans | -110.7 | 128.3 | 176.9 | -68.2 | -175.1 | 171.4 | 0 | 0 | 111.1 | ||
| 499 | V | 72 | Confident | 60.9 | Low | 19 Ų | 19 | 91.1 Ų | 91.1 | 12% | 0.115 | 50% | 0.496 | C | S | . | . | trans | -77.6 | 130.9 | 173.4 | 165.6 | 0 | 0 | 0 | 0 | 110.3 | Y439 E468 L470 W501 | Y439-V499 HydrophobicContact CE2-CG2 4.39Å; E468-V499 HydrophobicContact CB-CG2 3.32Å; E468-V499 HydrophobicContact CG-CG2 4.49Å; L470-V499 HydrophobicContact CB-CG1 3.48Å; L470-V499 VanDerWaalsContact CB-CG1 3.48Å; L470-V499 HydrophobicContact CD2-CG1 3.86Å; L470-V499 HydrophobicContact CG-CG1 4.32Å; V499-W501 HydrophobicContact CG1-CD2 4.13Å; V499-W501 HydrophobicContact CG1-CG 4.35Å; V499-W501 HydrophobicContact CG1-CZ2 4.39Å; V499-W501 VanDerWaalsContact O-CD1 3.24Å; V499-W501 PolarHBondContact O-N 3.46Å; V499-W501 VanDerWaalsContact O-N 3.09Å | ||
| 500 | D | 74.1 | Confident | 63.6 | Low | 90 Ų | 90 | 91.2 Ų | 91.2 | 48% | 0.481 | 51% | 0.506 | S | S | . | . | trans | -75.2 | 95.8 | 167.1 | -173.1 | 10.3 | 0 | 0 | 0 | 110.5 | N502 I503 | D500-N502 PolarHBondContact O-N 3.18Å; D500-N502 WeakPolarHBondContact OD1-CB 3.44Å; D500-N502 VanDerWaalsContact OD1-CG 3.27Å; D500-N502 PolarHBondContact OD1-N 2.98Å; D500-N502 PolarHBondContact OD1-ND2 3.3Å; D500-I503 WeakPolarHBondContact O-CG1 3.18Å; D500-I503 PolarHBondContact O-N 3.35Å | ||
| 501 | W | 80.5 | Confident | 66.4 | Low | 53 Ų | 53 | 85 Ų | 85 | 20% | 0.201 | 48% | 0.475 | C | S | . | . | G | 310 helix | trans | -66.5 | -10.9 | 177.1 | -66.8 | 95.8 | 0 | 0 | 0 | 113.3 | V416 Q417 F418 Y439 L470 V499 I503 M504 | V416-W501 HydrophobicContact CB-CH2 4.46Å; V416-W501 HydrophobicContact CG1-CH2 3.99Å; V416-W501 HydrophobicContact CG1-CZ3 4.38Å; Q417-W501 HydrophobicContact CB-CD2 4.4Å; Q417-W501 HydrophobicContact CB-CE3 3.79Å; Q417-W501 HydrophobicContact CB-CZ3 3.86Å; Q417-W501 HydrophobicContact CG-CD2 3.91Å; Q417-W501 HydrophobicContact CG-CE3 3.82Å; Q417-W501 HydrophobicContact CG-CG 4.5Å; Q417-W501 HydrophobicContact CG-CH2 4.45Å; Q417-W501 HydrophobicContact CG-CZ3 4.11Å; F418-W501 HydrophobicContact CD1-CZ3 4.29Å; Y439-W501 HydrophobicContact CD2-CH2 4.12Å; Y439-W501 AromaticContact CE2-CH2 3.87Å; Y439-W501 HydrophobicContact CE2-CH2 3.87Å; Y439-W501 HydrophobicContact CE2-CZ2 4.13Å; L470-W501 HydrophobicContact CD2-CE3 4.08Å; L470-W501 HydrophobicContact CD2-CZ3 4.34Å; V499-W501 HydrophobicContact CG1-CD2 4.13Å; V499-W501 HydrophobicContact CG1-CG 4.35Å; V499-W501 HydrophobicContact CG1-CZ2 4.39Å; V499-W501 VanDerWaalsContact O-CD1 3.24Å; V499-W501 PolarHBondContact O-N 3.46Å; V499-W501 VanDerWaalsContact O-N 3.09Å; W501-I503 PolarHBondContact O-N 3.18Å; W501-I503 VanDerWaalsContact O-N 3.12Å; W501-M504 HydrophobicContact CE3-CG 4.43Å; W501-M504 HydrophobicContact CE3-SD 3.62Å; W501-M504 HydrophobicContact CZ3-SD 3.96Å; W501-M504 WeakPolarHBondContact O-CB 3.48Å; W501-M504 PolarHBondContact O-N 3.05Å |
| 502 | N | 78 | Confident | 69.3 | Low | 109 Ų | 109 | 81.7 Ų | 81.7 | 58% | 0.583 | 45% | 0.451 | S | S | * | . | G | 310 helix | trans | -62.7 | -18.5 | 175 | -64.9 | -51.4 | 0 | 0 | 0 | 112.9 | D500 M504 N505 | D500-N502 PolarHBondContact O-N 3.18Å; D500-N502 WeakPolarHBondContact OD1-CB 3.44Å; D500-N502 VanDerWaalsContact OD1-CG 3.27Å; D500-N502 PolarHBondContact OD1-N 2.98Å; D500-N502 PolarHBondContact OD1-ND2 3.3Å; N502-M504 PolarHBondContact O-N 3.43Å; N502-N505 WeakPolarHBondContact O-CB 3.32Å; N502-N505 PolarHBondContact O-N 3.41Å |
| 503 | I | 79.4 | Confident | 72.1 | Confident | 42 Ų | 42 | 78 Ų | 78 | 22% | 0.215 | 43% | 0.425 | C | S | . | . | G | 310 helix | trans | -57.5 | -29 | 172.1 | -61.6 | 170.1 | 0 | 0 | 0 | 111 | F437 L470 H472 D500 W501 N505 Q506 | F437-I503 HydrophobicContact CD1-CG2 4.39Å; F437-I503 HydrophobicContact CE1-CG2 4.05Å; F437-I503 WeakPolarHBondContact CE1-O 3.41Å; L470-I503 HydrophobicContact CD2-CB 4.14Å; H472-I503 HydrophobicContact CB-CG2 4.23Å; D500-I503 WeakPolarHBondContact O-CG1 3.18Å; D500-I503 PolarHBondContact O-N 3.35Å; W501-I503 PolarHBondContact O-N 3.18Å; W501-I503 VanDerWaalsContact O-N 3.12Å; I503-N505 PolarHBondContact O-N 3.44Å; I503-Q506 VanDerWaalsContact O-CB 3.3Å; I503-Q506 WeakPolarHBondContact O-CB 3.32Å; I503-Q506 VanDerWaalsContact O-CG 3.31Å; I503-Q506 WeakPolarHBondContact O-CG 3.46Å; I503-Q506 PolarHBondContact O-N 3.03Å; I503-Q506 VanDerWaalsContact O-N 3.09Å |
| 504 | M | 78 | Confident | 74.9 | Confident | 54 Ų | 54 | 76 Ų | 76 | 27% | 0.266 | 41% | 0.411 | S | S | . | . | G | 310 helix | trans | -65.7 | -15.3 | 176.5 | -72.6 | -174 | 59.9 | 0 | 0 | 114.3 | Q417 F418 F437 L470 W501 N502 Q506 | Q417-M504 HydrophobicContact CB-SD 3.97Å; F418-M504 HydrophobicContact CB-CE 3.69Å; F418-M504 HydrophobicContact CB-SD 4.37Å; F418-M504 HydrophobicContact CD1-SD 4.29Å; F437-M504 HydrophobicContact CZ-CB 4.46Å; F437-M504 HydrophobicContact CZ-CG 4.49Å; L470-M504 HydrophobicContact CD2-CG 4.2Å; W501-M504 HydrophobicContact CE3-CG 4.43Å; W501-M504 HydrophobicContact CE3-SD 3.62Å; W501-M504 HydrophobicContact CZ3-SD 3.96Å; W501-M504 WeakPolarHBondContact O-CB 3.48Å; W501-M504 PolarHBondContact O-N 3.05Å; N502-M504 PolarHBondContact O-N 3.43Å; M504-Q506 PolarHBondContact O-N 3.47Å |
| 505 | N | 80.9 | Confident | 77.4 | Confident | 134 Ų | 134 | 72.3 Ų | 72.3 | 72% | 0.717 | 39% | 0.388 | S | S | * | . | G | 310 helix | trans | -77.1 | -4.8 | 174.4 | -63.7 | -31.6 | 0 | 0 | 0 | 112.8 | N502 I503 | N502-N505 WeakPolarHBondContact O-CB 3.32Å; N502-N505 PolarHBondContact O-N 3.41Å; I503-N505 PolarHBondContact O-N 3.44Å |
| 506 | Q | 80.6 | Confident | 80 | Confident | 74 Ų | 74 | 65.5 Ų | 65.5 | 35% | 0.346 | 36% | 0.359 | S | S | . | . | S | Bend | trans | -67.1 | 147.5 | 172.8 | -69.2 | -176 | 7 | 0 | 0 | 111.1 | H472 I503 M504 | H472-Q506 PolarHBondContact CD2-OE1 2.98Å; I503-Q506 VanDerWaalsContact O-CB 3.3Å; I503-Q506 WeakPolarHBondContact O-CB 3.32Å; I503-Q506 VanDerWaalsContact O-CG 3.31Å; I503-Q506 WeakPolarHBondContact O-CG 3.46Å; I503-Q506 PolarHBondContact O-N 3.03Å; I503-Q506 VanDerWaalsContact O-N 3.09Å; M504-Q506 PolarHBondContact O-N 3.47Å |
| 507 | P | 82.4 | Confident | 82.3 | Confident | 107 Ų | 107 | 59.2 Ų | 59.2 | 70% | 0.695 | 33% | 0.33 | S | S | * | . | P | Polyproline II helix | trans | -62.4 | 147.6 | -178.7 | 27.1 | -35.1 | 0 | 0 | 0 | 111.2 | H472 S509 | H472-P507 PolarHBondContact NE2-O 3.31Å; H472-P507 VanDerWaalsContact NE2-O 3.14Å; P507-S509 PolarHBondContact O-N 2.85Å |
| 508 | V | 82.9 | Confident | 84.2 | Confident | 109 Ų | 109 | 56 Ų | 56 | 66% | 0.661 | 31% | 0.31 | S | S | * | . | P | Polyproline II helix | trans | -55.5 | 131.3 | 172.1 | -178.2 | 0 | 0 | 0 | 0 | 109 | ||
| 509 | S | 87.1 | Confident | 85.6 | Confident | 8 Ų | 8 | 48.2 Ų | 48.2 | 6% | 0.056 | 27% | 0.274 | C | S | . | . | P | Polyproline II helix | trans | -55.9 | 138.2 | 179.7 | -172.1 | 0 | 0 | 0 | 0 | 112.1 | S436 D474 P507 D511 R529 | S436-S509 WeakPolarHBondContact OG-CB 3.39Å; S436-S509 PolarHBondContact OG-N 3.17Å; D474-S509 VanDerWaalsContact CG-OG 3.28Å; D474-S509 PolarHBondContact OD1-OG 3.18Å; D474-S509 WeakPolarHBondContact OD2-CA 3.46Å; D474-S509 WeakPolarHBondContact OD2-CB 3.45Å; D474-S509 PolarHBondContact OD2-OG 3.3Å; P507-S509 PolarHBondContact O-N 2.85Å; S509-D511 PolarHBondContact O-N 3.28Å; S509-D511 PolarHBondContact OG-O 3.24Å; S509-R529 PolarHBondContact OG-NH2 3.41Å |
| 510 | S | 88.5 | Confident | 86.1 | Confident | 122 Ų | 122 | 52.9 Ų | 52.9 | 85% | 0.853 | 29% | 0.294 | S | S | * | . | S | Bend | trans | -69 | -14.9 | 177.3 | 60.6 | 0 | 0 | 0 | 0 | 113.8 | ||
| 511 | D | 90.2 | Very high | 86.4 | Confident | 24 Ų | 24 | 52.3 Ų | 52.3 | 13% | 0.128 | 30% | 0.297 | C | S | . | . | S | Bend | trans | -135.6 | 85 | 178.8 | 170.8 | 32.1 | 0 | 0 | 0 | 107.5 | S509 R529 E530 S531 | S509-D511 PolarHBondContact O-N 3.28Å; S509-D511 PolarHBondContact OG-O 3.24Å; D511-R529 PolarHBondContact O-NE 3.46Å; D511-R529 PolarHBondContact O-NH2 2.66Å; D511-R529 WeakPolarHBondContact OD1-CB 3.34Å; D511-R529 WeakPolarHBondContact OD2-CB 3.5Å; D511-R529 VanDerWaalsContact OD2-CD 3.3Å; D511-R529 WeakPolarHBondContact OD2-CD 3.49Å; D511-R529 IonicContact OD2-CZ 2.93Å; D511-R529 IonicContact OD2-NE 3.65Å; D511-R529 PolarHBondContact OD2-NE 3.18Å; D511-R529 IonicContact OD2-NH1 3.74Å; D511-R529 PolarHBondContact OD2-NH1 3.47Å; D511-E530 PolarHBondContact OD1-N 2.98Å; D511-S531 VanDerWaalsContact CG-OG 3.22Å; D511-S531 VanDerWaalsContact OD1-CB 3.26Å; D511-S531 WeakPolarHBondContact OD1-CB 3.3Å; D511-S531 PolarHBondContact OD1-N 3.03Å; D511-S531 PolarHBondContact OD1-OG 3.45Å; D511-S531 WeakPolarHBondContact OD2-CB 3.38Å; D511-S531 PolarHBondContact OD2-OG 3.18Å |
| 512 | P | 92.4 | Very high | 86.6 | Confident | 16 Ų | 16 | 52.3 Ų | 52.3 | 10% | 0.104 | 30% | 0.303 | C | S | . | . | trans | -71 | 161 | -166.4 | 29.7 | -36.2 | 0 | 0 | 0 | 112.5 | K435 S514 R529 E530 | K435-P512 HydrophobicContact CB-CB 3.73Å; K435-P512 HydrophobicContact CD-CB 4.4Å; K435-P512 HydrophobicContact CG-CB 4.28Å; K435-P512 CarbonylContact O-C 3.51Å; K435-P512 WeakPolarHBondContact O-CA 3.4Å; K435-P512 WeakPolarHBondContact O-CB 3.24Å; P512-S514 PolarHBondContact O-N 3.28Å; P512-R529 WeakPolarHBondContact O-CA 3.15Å; P512-E530 WeakPolarHBondContact CD-OE2 3.43Å; P512-E530 HydrophobicContact CG-CB 4.46Å; P512-E530 HydrophobicContact CG-CG 3.83Å; P512-E530 WeakPolarHBondContact CG-OE1 3.23Å; P512-E530 VanDerWaalsContact CG-OE2 3.23Å; P512-E530 WeakPolarHBondContact CG-OE2 3.43Å; P512-E530 PolarHBondContact O-N 2.93Å | ||
| 513 | I | 93.3 | Very high | 87 | Confident | 4 Ų | 4 | 54.6 Ų | 54.6 | 2% | 0.021 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.7 | 130.8 | 173.5 | -60.3 | 170.9 | 0 | 0 | 0 | 109 | I433 N434 K435 I438 I473 I527 | I433-I513 HydrophobicContact CB-CD1 4.46Å; I433-I513 HydrophobicContact CB-CG2 4.39Å; I433-I513 HydrophobicContact CD1-CG2 3.49Å; I433-I513 VanDerWaalsContact CD1-CG2 3.49Å; I433-I513 HydrophobicContact CG2-CD1 4.38Å; N434-I513 WeakPolarHBondContact O-CD1 3.47Å; K435-I513 PolarHBondContact O-N 2.94Å; I438-I513 HydrophobicContact CG1-CD1 4Å; I473-I513 HydrophobicContact CB-CD1 4.03Å; I473-I513 HydrophobicContact CB-CG1 4.14Å; I473-I513 HydrophobicContact CD1-CD1 3.9Å; I473-I513 HydrophobicContact CD1-CG1 3.99Å; I473-I513 HydrophobicContact CG1-CD1 4.05Å; I473-I513 HydrophobicContact CG1-CG1 3.83Å; I473-I513 HydrophobicContact CG2-CG1 4.43Å; I513-I527 HydrophobicContact CB-CG2 4.4Å; I513-I527 HydrophobicContact CD1-CG2 4.26Å; I513-I527 HydrophobicContact CG1-CG2 4.04Å; I513-I527 HydrophobicContact CG2-CG2 3.58Å |
| 514 | S | 91.9 | Very high | 87.5 | Confident | 24 Ų | 24 | 55 Ų | 55 | 17% | 0.168 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | -45.9 | 177.7 | 72.3 | 0 | 0 | 0 | 0 | 112.7 | P512 A528 P555 | P512-S514 PolarHBondContact O-N 3.28Å; S514-A528 PolarHBondContact N-O 2.88Å; S514-A528 PolarHBondContact OG-O 3.44Å; S514-P555 VanDerWaalsContact CB-O 3.23Å; S514-P555 WeakPolarHBondContact CB-O 3.27Å; S514-P555 PolarHBondContact OG-O 3.11Å |
| 515 | T | 93.9 | Very high | 88.2 | Confident | 3 Ų | 3 | 52.4 Ų | 52.4 | 2% | 0.018 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -160.3 | 165.8 | -177.8 | -173.9 | 0 | 0 | 0 | 0 | 111.6 | Q422 A528 P555 I558 | Q422-T515 PolarHBondContact OE1-OG1 3.31Å; T515-A528 HydrophobicContact CG2-CB 3.75Å; T515-A528 PolarHBondContact O-N 2.96Å; T515-P555 HydrophobicContact CG2-CB 4.4Å; T515-I558 HydrophobicContact CG2-CB 4.45Å; T515-I558 HydrophobicContact CG2-CD1 4.47Å; T515-I558 HydrophobicContact CG2-CG1 3.96Å; T515-I558 HydrophobicContact CG2-CG2 3.97Å |
| 516 | L | 95 | Very high | 88.8 | Confident | 1 Ų | 1 | 46 Ų | 46 | 1% | 0.005 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 161.2 | 175 | 70.6 | 84.8 | 0 | 0 | 0 | 112 | Q422 M424 I431 I433 L525 L526 I527 | Q422-L516 PolarHBondContact NE2-O 3.42Å; Q422-L516 VanDerWaalsContact OE1-N 3.12Å; M424-L516 HydrophobicContact CB-CD1 3.65Å; M424-L516 HydrophobicContact CG-CD1 3.35Å; M424-L516 HydrophobicContact SD-CD1 3.3Å; M424-L516 WeakPolarHBondContact SD-CD1 3.31Å; I431-L516 HydrophobicContact CG2-CD2 4.41Å; I433-L516 HydrophobicContact CB-CD2 3.97Å; I433-L516 HydrophobicContact CD1-CB 4.16Å; I433-L516 HydrophobicContact CD1-CD2 3.61Å; I433-L516 HydrophobicContact CD1-CG 4Å; I433-L516 HydrophobicContact CG1-CD2 3.48Å; I433-L516 VanDerWaalsContact CG1-CD2 3.48Å; I433-L516 HydrophobicContact CG1-CG 4.36Å; I433-L516 HydrophobicContact CG2-CD2 3.37Å; L516-L525 HydrophobicContact CB-CD1 4.33Å; L516-L525 HydrophobicContact CD1-CD1 4.07Å; L516-L526 CarbonylContact C-O 3.57Å; L516-L526 VanDerWaalsContact CA-O 3.22Å; L516-L526 WeakPolarHBondContact CA-O 3.49Å; L516-L526 WeakPolarHBondContact CB-O 3.22Å; L516-I527 HydrophobicContact CB-CG1 4.23Å |
| 517 | T | 94.4 | Very high | 89.5 | Confident | 10 Ų | 10 | 42.5 Ų | 42.5 | 6% | 0.061 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.2 | 158.8 | 166.8 | -163.7 | 0 | 0 | 0 | 0 | 111.4 | M424 L526 I558 V560 | M424-T517 VanDerWaalsContact SD-CA 3.58Å; T517-L526 HydrophobicContact CG2-CB 3.9Å; T517-L526 PolarHBondContact N-O 3.41Å; T517-L526 PolarHBondContact O-N 2.9Å; T517-I558 WeakPolarHBondContact CB-O 3.46Å; T517-I558 HydrophobicContact CG2-CB 4.42Å; T517-I558 HydrophobicContact CG2-CD1 3.77Å; T517-I558 HydrophobicContact CG2-CG1 3.68Å; T517-I558 PolarHBondContact OG1-O 3.29Å; T517-V560 HydrophobicContact CG2-CB 4.23Å; T517-V560 HydrophobicContact CG2-CG1 4.07Å |
| 518 | I | 92.4 | Very high | 90.1 | Very high | 7 Ų | 7 | 37.4 Ų | 37.4 | 4% | 0.036 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 133.5 | 178.6 | -61.9 | 174.2 | 0 | 0 | 0 | 109.9 | M424 T426 I431 R524 L525 L539 | M424-I518 HydrophobicContact CB-CD1 3.54Å; M424-I518 HydrophobicContact CB-CG1 4.18Å; M424-I518 HydrophobicContact CG-CD1 4.47Å; M424-I518 HydrophobicContact SD-CB 4.06Å; M424-I518 HydrophobicContact SD-CD1 4.09Å; M424-I518 HydrophobicContact SD-CG1 3.72Å; M424-I518 PolarHBondContact SD-N 3.49Å; M424-I518 VanDerWaalsContact SD-N 3.43Å; T426-I518 HydrophobicContact CG2-CD1 3.83Å; T426-I518 HydrophobicContact CG2-CG2 3.99Å; I431-I518 HydrophobicContact CD1-CD1 3.77Å; I431-I518 HydrophobicContact CG1-CD1 4.47Å; I518-R524 WeakPolarHBondContact CA-O 3.33Å; I518-L525 HydrophobicContact CD1-CD1 4.41Å; I518-L525 HydrophobicContact CG1-CD1 3.74Å; I518-L539 HydrophobicContact CG2-CD1 4.27Å |
| 519 | S | 90 | Very high | 90.6 | Very high | 3 Ų | 3 | 33 Ų | 33 | 2% | 0.021 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 105.6 | 163.8 | 179.9 | 0 | 0 | 0 | 0 | 109.5 | S521 T522 R523 R524 | S519-S521 VanDerWaalsContact C-N 3.29Å; S519-S521 PolarHBondContact O-N 2.82Å; S519-S521 PolarHBondContact OG-OG 3.46Å; S519-T522 WeakPolarHBondContact CB-OG1 3.33Å; S519-T522 PolarHBondContact OG-N 3.39Å; S519-T522 PolarHBondContact OG-OG1 3.39Å; S519-R523 VanDerWaalsContact O-CA 3.29Å; S519-R523 WeakPolarHBondContact O-CA 3.39Å; S519-R523 PolarHBondContact O-N 2.56Å; S519-R524 PolarHBondContact N-O 2.98Å; S519-R524 PolarHBondContact O-N 3.23Å |
| 520 | H | 82.6 | Confident | 90.8 | Very high | 117 Ų | 117 | 37 Ų | 37 | 54% | 0.542 | 20% | 0.195 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.3 | -33.7 | 179.9 | -64.7 | -74.8 | 0 | 0 | 0 | 112.8 | M425 | M425-H520 PolarHBondContact O-CE1 3.38Š|
| 521 | S | 80.9 | Confident | 90.9 | Very high | 78 Ų | 78 | 33.9 Ų | 33.9 | 55% | 0.545 | 17% | 0.173 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71.6 | -45.1 | -179.4 | 56.5 | 0 | 0 | 0 | 0 | 113 | S519 C562 | S519-S521 VanDerWaalsContact C-N 3.29Å; S519-S521 PolarHBondContact O-N 2.82Å; S519-S521 PolarHBondContact OG-OG 3.46Å; S521-C562 VanDerWaalsContact CB-O 3.23Å; S521-C562 WeakPolarHBondContact CB-O 3.49Å; S521-C562 PolarHBondContact OG-O 3.09Å |
| 522 | T | 83.3 | Confident | 90.9 | Very high | 53 Ų | 53 | 32.8 Ų | 32.8 | 33% | 0.325 | 17% | 0.167 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -94.6 | -5.8 | -177.4 | 65.5 | 0 | 0 | 0 | 0 | 113.3 | S519 R524 A564 | S519-T522 WeakPolarHBondContact CB-OG1 3.33Å; S519-T522 PolarHBondContact OG-N 3.39Å; S519-T522 PolarHBondContact OG-OG1 3.39Å; T522-R524 VanDerWaalsContact C-N 3.25Å; T522-R524 PolarHBondContact O-N 3.36Å; T522-A564 HydrophobicContact CG2-CB 3.86Å |
| 523 | R | 86.9 | Confident | 90.9 | Very high | 157 Ų | 157 | 33.8 Ų | 33.8 | 59% | 0.592 | 17% | 0.172 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 54.1 | 41.1 | -175.1 | -58.9 | -177.5 | 176.4 | -176.4 | -1.8 | 112.4 | S519 L539 | S519-R523 VanDerWaalsContact O-CA 3.29Å; S519-R523 WeakPolarHBondContact O-CA 3.39Å; S519-R523 PolarHBondContact O-N 2.56Å; R523-L539 HydrophobicContact CB-CB 4.46Å; R523-L539 WeakPolarHBondContact O-CB 3.47Å; R523-L539 PolarHBondContact O-N 3.13Å |
| 524 | R | 89.8 | Confident | 90.9 | Very high | 50 Ų | 50 | 33.6 Ų | 33.6 | 19% | 0.189 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 134.9 | 176.5 | -72.5 | 176.3 | 164 | 169.2 | -2.3 | 110.7 | I518 S519 T522 L526 I536 Y537 E545 | I518-R524 WeakPolarHBondContact CA-O 3.33Å; S519-R524 PolarHBondContact N-O 2.98Å; S519-R524 PolarHBondContact O-N 3.23Å; T522-R524 VanDerWaalsContact C-N 3.25Å; T522-R524 PolarHBondContact O-N 3.36Å; R524-L526 HydrophobicContact CB-CD1 4.15Å; R524-I536 HydrophobicContact CB-CG2 4.17Å; R524-I536 HydrophobicContact CG-CG2 4.21Å; R524-Y537 CarbonylContact C-O 3.56Å; R524-Y537 WeakPolarHBondContact CA-O 3.3Å; R524-E545 IonicContact CZ-OE2 2.81Å; R524-E545 VanDerWaalsContact CZ-OE2 3.24Å; R524-E545 IonicContact NE-OE2 3.11Å; R524-E545 PolarHBondContact NE-OE2 3.44Å; R524-E545 IonicContact NH2-OE2 2.69Å; R524-E545 PolarHBondContact NH2-OE2 3.49Å |
| 525 | L | 92.4 | Very high | 90.9 | Very high | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 127 | 169.1 | 171.7 | 70.2 | 0 | 0 | 0 | 108.3 | I431 I438 L516 I518 I527 I536 Y537 L539 L542 | I431-L525 HydrophobicContact CD1-CD1 4.1Å; I431-L525 HydrophobicContact CD1-CD2 4.09Å; I431-L525 HydrophobicContact CG2-CD1 4.31Å; I431-L525 HydrophobicContact CG2-CD2 4.1Å; I438-L525 HydrophobicContact CG2-CD2 4.34Å; L516-L525 HydrophobicContact CB-CD1 4.33Å; L516-L525 HydrophobicContact CD1-CD1 4.07Å; I518-L525 HydrophobicContact CD1-CD1 4.41Å; I518-L525 HydrophobicContact CG1-CD1 3.74Å; L525-I527 HydrophobicContact CD1-CG1 4.38Å; L525-I527 HydrophobicContact CD2-CD1 3.86Å; L525-I527 HydrophobicContact CD2-CG1 4.18Å; L525-I527 HydrophobicContact CG-CD1 4.24Å; L525-I527 HydrophobicContact CG-CG1 3.98Å; L525-I536 CarbonylContact O-C 3.58Å; L525-I536 WeakPolarHBondContact O-CA 3.34Å; L525-Y537 PolarHBondContact N-O 2.66Å; L525-Y537 PolarHBondContact O-N 3.49Å; L525-L539 HydrophobicContact CB-CD1 4.25Å; L525-L539 HydrophobicContact CB-CD2 4.18Å; L525-L539 HydrophobicContact CB-CG 4.19Å; L525-L542 HydrophobicContact CD2-CD2 3.57Å |
| 526 | L | 94.4 | Very high | 90.8 | Very high | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 130.6 | 175.7 | -68.5 | 79.4 | 0 | 0 | 0 | 108.2 | L516 T517 R524 I534 Q535 I536 I558 L567 I581 | L516-L526 CarbonylContact C-O 3.57Å; L516-L526 VanDerWaalsContact CA-O 3.22Å; L516-L526 WeakPolarHBondContact CA-O 3.49Å; L516-L526 WeakPolarHBondContact CB-O 3.22Å; T517-L526 HydrophobicContact CG2-CB 3.9Å; T517-L526 PolarHBondContact N-O 3.41Å; T517-L526 PolarHBondContact O-N 2.9Å; R524-L526 HydrophobicContact CB-CD1 4.15Å; L526-I534 HydrophobicContact CB-CG2 4.46Å; L526-Q535 CarbonylContact C-O 2.94Å; L526-Q535 WeakPolarHBondContact CA-O 3.46Å; L526-I536 HydrophobicContact CD2-CD1 4.34Å; L526-I536 HydrophobicContact CD2-CG1 4.49Å; L526-I536 HydrophobicContact CG-CD1 4.35Å; L526-I536 HydrophobicContact CG-CG1 4.11Å; L526-I558 HydrophobicContact CB-CD1 4.16Å; L526-L567 HydrophobicContact CD2-CD1 3.67Å; L526-I581 HydrophobicContact CD2-CD1 3.97Å |
| 527 | I | 94.5 | Very high | 90.6 | Very high | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 128.3 | -178.5 | -59.7 | -178.1 | 0 | 0 | 0 | 108.7 | I438 I473 I513 L516 L525 I534 Q535 Y537 | I438-I527 HydrophobicContact CD1-CD1 3.21Å; I438-I527 HydrophobicContact CG1-CD1 3.6Å; I438-I527 HydrophobicContact CG2-CD1 4.34Å; I473-I527 HydrophobicContact CD1-CD1 4.46Å; I473-I527 HydrophobicContact CD1-CG2 4.08Å; I513-I527 HydrophobicContact CB-CG2 4.4Å; I513-I527 HydrophobicContact CD1-CG2 4.26Å; I513-I527 HydrophobicContact CG1-CG2 4.04Å; I513-I527 HydrophobicContact CG2-CG2 3.58Å; L516-I527 HydrophobicContact CB-CG1 4.23Å; L525-I527 HydrophobicContact CD1-CG1 4.38Å; L525-I527 HydrophobicContact CD2-CD1 3.86Å; L525-I527 HydrophobicContact CD2-CG1 4.18Å; L525-I527 HydrophobicContact CG-CD1 4.24Å; L525-I527 HydrophobicContact CG-CG1 3.98Å; I527-I534 CarbonylContact O-C 3.5Å; I527-I534 VanDerWaalsContact O-CA 3.31Å; I527-I534 WeakPolarHBondContact O-CA 3.47Å; I527-Q535 PolarHBondContact N-O 3.04Å; I527-Q535 PolarHBondContact O-N 2.83Å; I527-Y537 HydrophobicContact CD1-CD2 4.01Å; I527-Y537 HydrophobicContact CD1-CE2 3.8Å; I527-Y537 HydrophobicContact CG1-CD2 4.36Å; I527-Y537 HydrophobicContact CG1-CE2 4.34Å |
| 528 | A | 94.9 | Very high | 90.4 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 145.4 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | S514 T515 L533 I534 P555 I558 | S514-A528 PolarHBondContact N-O 2.88Å; S514-A528 PolarHBondContact OG-O 3.44Å; T515-A528 HydrophobicContact CG2-CB 3.75Å; T515-A528 PolarHBondContact O-N 2.96Å; A528-L533 CarbonylContact C-O 3.57Å; A528-L533 WeakPolarHBondContact CA-O 3.38Å; A528-I534 HydrophobicContact CB-CD1 3.48Å; A528-I534 VanDerWaalsContact CB-CD1 3.48Å; A528-P555 HydrophobicContact CB-CB 3.87Å; A528-P555 HydrophobicContact CB-CG 4.07Å; A528-I558 HydrophobicContact CB-CD1 4.18Å; A528-I558 HydrophobicContact CB-CG2 4.21Å |
| 529 | R | 93.5 | Very high | 90.1 | Very high | 16 Ų | 16 | 40.1 Ų | 40.1 | 6% | 0.06 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 160 | 172.7 | -50.2 | -170.4 | 77.4 | -169.1 | 23.7 | 110.8 | D474 S509 D511 P512 S531 G532 L533 P555 | D474-R529 IonicContact OD1-CZ 3.33Å; D474-R529 IonicContact OD1-NH1 3.27Å; D474-R529 IonicContact OD1-NH2 3.46Å; D474-R529 PolarHBondContact OD1-NH2 3.43Å; D474-R529 IonicContact OD2-NH2 2.74Å; S509-R529 PolarHBondContact OG-NH2 3.41Å; D511-R529 PolarHBondContact O-NE 3.46Å; D511-R529 PolarHBondContact O-NH2 2.66Å; D511-R529 WeakPolarHBondContact OD1-CB 3.34Å; D511-R529 WeakPolarHBondContact OD2-CB 3.5Å; D511-R529 VanDerWaalsContact OD2-CD 3.3Å; D511-R529 WeakPolarHBondContact OD2-CD 3.49Å; D511-R529 IonicContact OD2-CZ 2.93Å; D511-R529 IonicContact OD2-NE 3.65Å; D511-R529 PolarHBondContact OD2-NE 3.18Å; D511-R529 IonicContact OD2-NH1 3.74Å; D511-R529 PolarHBondContact OD2-NH1 3.47Å; P512-R529 WeakPolarHBondContact O-CA 3.15Å; R529-S531 PolarHBondContact O-N 3.36Å; R529-G532 PolarHBondContact O-N 2.92Å; R529-L533 HydrophobicContact CB-CB 4.34Å; R529-L533 HydrophobicContact CG-CB 4.38Å; R529-L533 PolarHBondContact N-O 3.05Å; R529-P555 VanDerWaalsContact O-CD 3.26Å; R529-P555 WeakPolarHBondContact O-CD 3.27Å |
| 530 | E | 91.5 | Very high | 89.5 | Confident | 93 Ų | 93 | 41.8 Ų | 41.8 | 44% | 0.435 | 20% | 0.202 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.9 | -31 | 178.6 | -73.6 | -173.7 | 177.7 | 0 | 0 | 112.8 | D511 P512 G532 C554 | D511-E530 PolarHBondContact OD1-N 2.98Å; P512-E530 WeakPolarHBondContact CD-OE2 3.43Å; P512-E530 HydrophobicContact CG-CB 4.46Å; P512-E530 HydrophobicContact CG-CG 3.83Å; P512-E530 WeakPolarHBondContact CG-OE1 3.23Å; P512-E530 VanDerWaalsContact CG-OE2 3.23Å; P512-E530 WeakPolarHBondContact CG-OE2 3.43Å; P512-E530 PolarHBondContact O-N 2.93Å; E530-G532 PolarHBondContact O-N 3.42Å; E530-C554 WeakPolarHBondContact O-CA 3.36Å |
| 531 | S | 91.1 | Very high | 89.3 | Confident | 56 Ų | 56 | 40.4 Ų | 40.4 | 39% | 0.392 | 20% | 0.198 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.8 | -7.1 | 174.1 | 65.3 | 0 | 0 | 0 | 0 | 115.8 | D511 R529 L533 | D511-S531 VanDerWaalsContact CG-OG 3.22Å; D511-S531 VanDerWaalsContact OD1-CB 3.26Å; D511-S531 WeakPolarHBondContact OD1-CB 3.3Å; D511-S531 PolarHBondContact OD1-N 3.03Å; D511-S531 PolarHBondContact OD1-OG 3.45Å; D511-S531 WeakPolarHBondContact OD2-CB 3.38Å; D511-S531 PolarHBondContact OD2-OG 3.18Å; R529-S531 PolarHBondContact O-N 3.36Å; S531-L533 PolarHBondContact OG-N 3.25Å |
| 532 | G | 89.8 | Confident | 89.4 | Confident | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 17% | 0.174 | C | C | . | . | S | Bend | trans | 85.9 | 5.2 | -172.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | R529 E530 V550 | R529-G532 PolarHBondContact O-N 2.92Å; E530-G532 PolarHBondContact O-N 3.42Å; G532-V550 PolarHBondContact O-N 3.37Å |
| 533 | L | 92.9 | Very high | 89.5 | Confident | 38 Ų | 38 | 39.2 Ų | 39.2 | 20% | 0.199 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.5 | 129.5 | 173.4 | -171 | 75.5 | 0 | 0 | 0 | 111.2 | A528 R529 S531 Q535 K547 | A528-L533 CarbonylContact C-O 3.57Å; A528-L533 WeakPolarHBondContact CA-O 3.38Å; R529-L533 HydrophobicContact CB-CB 4.34Å; R529-L533 HydrophobicContact CG-CB 4.38Å; R529-L533 PolarHBondContact N-O 3.05Å; S531-L533 PolarHBondContact OG-N 3.25Å; L533-Q535 HydrophobicContact CD2-CG 4.38Å; L533-K547 HydrophobicContact CD1-CB 4.4Å; L533-K547 HydrophobicContact CD2-CD 4.49Å |
| 534 | I | 93 | Very high | 89.5 | Confident | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 131.2 | 173.1 | -54.2 | -68.1 | 0 | 0 | 0 | 109.6 | L526 I527 A528 K547 F548 V550 I558 L567 | L526-I534 HydrophobicContact CB-CG2 4.46Å; I527-I534 CarbonylContact O-C 3.5Å; I527-I534 VanDerWaalsContact O-CA 3.31Å; I527-I534 WeakPolarHBondContact O-CA 3.47Å; A528-I534 HydrophobicContact CB-CD1 3.48Å; A528-I534 VanDerWaalsContact CB-CD1 3.48Å; I534-K547 CarbonylContact O-C 3.57Å; I534-K547 WeakPolarHBondContact O-CA 3.45Å; I534-K547 WeakPolarHBondContact O-CB 3.22Å; I534-F548 HydrophobicContact CB-CD1 4.14Å; I534-F548 HydrophobicContact CB-CE1 3.75Å; I534-F548 HydrophobicContact CB-CE2 4.19Å; I534-F548 HydrophobicContact CB-CZ 3.8Å; I534-F548 HydrophobicContact CG1-CE2 4.15Å; I534-F548 HydrophobicContact CG1-CZ 4.06Å; I534-F548 HydrophobicContact CG2-CD1 4.35Å; I534-F548 HydrophobicContact CG2-CE1 3.57Å; I534-F548 HydrophobicContact CG2-CZ 3.74Å; I534-F548 PolarHBondContact N-O 3.32Å; I534-F548 PolarHBondContact O-N 2.83Å; I534-V550 HydrophobicContact CD1-CG2 4.22Å; I534-V550 HydrophobicContact CG1-CB 4.35Å; I534-V550 HydrophobicContact CG1-CG2 3.4Å; I534-V550 VanDerWaalsContact CG1-CG2 3.4Å; I534-I558 HydrophobicContact CD1-CD1 4.43Å; I534-I558 HydrophobicContact CD1-CG2 4.3Å; I534-L567 HydrophobicContact CD1-CD2 4.02Å; I534-L567 HydrophobicContact CG1-CD2 3.94Å; I534-L567 HydrophobicContact CG2-CD2 4.48Å |
| 535 | Q | 92.2 | Very high | 89.3 | Confident | 4 Ų | 4 | 33.8 Ų | 33.8 | 2% | 0.019 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 134.7 | 174 | -63.6 | -178.4 | -11.9 | 0 | 0 | 110 | L526 I527 L533 Y537 F544 K547 | L526-Q535 CarbonylContact C-O 2.94Å; L526-Q535 WeakPolarHBondContact CA-O 3.46Å; I527-Q535 PolarHBondContact N-O 3.04Å; I527-Q535 PolarHBondContact O-N 2.83Å; L533-Q535 HydrophobicContact CD2-CG 4.38Å; Q535-Y537 HydrophobicContact CB-CE2 3.76Å; Q535-Y537 PolarHBondContact OE1-OH 3.42Å; Q535-F544 HydrophobicContact CB-CE2 4.23Å; Q535-F544 HydrophobicContact CG-CE2 4.3Å; Q535-K547 HydrophobicContact CG-CB 4.17Å |
| 536 | I | 92.2 | Very high | 89.2 | Confident | 1 Ų | 1 | 35.3 Ų | 35.3 | 1% | 0.005 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 131.1 | -179.9 | -52.4 | -167.4 | 0 | 0 | 0 | 109.8 | R524 L525 L526 E545 M546 F548 I581 | R524-I536 HydrophobicContact CB-CG2 4.17Å; R524-I536 HydrophobicContact CG-CG2 4.21Å; L525-I536 CarbonylContact O-C 3.58Å; L525-I536 WeakPolarHBondContact O-CA 3.34Å; L526-I536 HydrophobicContact CD2-CD1 4.34Å; L526-I536 HydrophobicContact CD2-CG1 4.49Å; L526-I536 HydrophobicContact CG-CD1 4.35Å; L526-I536 HydrophobicContact CG-CG1 4.11Å; I536-E545 HydrophobicContact CG2-CB 4.44Å; I536-E545 PolarHBondContact O-N 3.24Å; I536-M546 HydrophobicContact CB-CG 3.94Å; I536-M546 HydrophobicContact CD1-CG 3.85Å; I536-M546 HydrophobicContact CD1-SD 3.93Å; I536-M546 HydrophobicContact CG1-CG 3.93Å; I536-M546 PolarHBondContact N-O 3.12Å; I536-F548 HydrophobicContact CD1-CE1 3.99Å; I536-F548 HydrophobicContact CG1-CE1 4.25Å; I536-I581 HydrophobicContact CD1-CG2 3.77Å |
| 537 | Y | 90 | Very high | 89 | Confident | 15 Ų | 15 | 41.1 Ų | 41.1 | 6% | 0.059 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 144.4 | 176.9 | -61.7 | -94 | 0 | 0 | 0 | 111 | I438 R524 L525 I527 Q535 L542 Y543 F544 | I438-Y537 HydrophobicContact CD1-CE2 4.15Å; R524-Y537 CarbonylContact C-O 3.56Å; R524-Y537 WeakPolarHBondContact CA-O 3.3Å; L525-Y537 PolarHBondContact N-O 2.66Å; L525-Y537 PolarHBondContact O-N 3.49Å; I527-Y537 HydrophobicContact CD1-CD2 4.01Å; I527-Y537 HydrophobicContact CD1-CE2 3.8Å; I527-Y537 HydrophobicContact CG1-CD2 4.36Å; I527-Y537 HydrophobicContact CG1-CE2 4.34Å; Q535-Y537 HydrophobicContact CB-CE2 3.76Å; Q535-Y537 PolarHBondContact OE1-OH 3.42Å; Y537-L542 WeakPolarHBondContact CD1-O 3.43Å; Y537-Y543 CarbonylContact C-O 3.58Å; Y537-Y543 VanDerWaalsContact CA-O 3.28Å; Y537-Y543 WeakPolarHBondContact CA-O 3.41Å; Y537-F544 HydrophobicContact CD1-CB 4.08Å; Y537-F544 HydrophobicContact CD1-CD2 4.47Å; Y537-F544 HydrophobicContact CE1-CB 3.93Å; Y537-F544 AromaticContact CE1-CD2 3.97Å; Y537-F544 HydrophobicContact CE1-CD2 3.97Å; Y537-F544 HydrophobicContact CE1-CG 4.46Å |
| 538 | R | 89.4 | Confident | 88.8 | Confident | 152 Ų | 152 | 42.3 Ų | 42.3 | 57% | 0.574 | 20% | 0.198 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 131.5 | 173 | -173.2 | 175.4 | 169.5 | 170.8 | -2.6 | 110.8 | L542 Y543 E545 | R538-L542 WeakPolarHBondContact O-CA 3.47Å; R538-L542 PolarHBondContact O-N 3.3Å; R538-Y543 PolarHBondContact N-O 3.25Å; R538-Y543 PolarHBondContact O-N 2.88Å; R538-Y543 VanDerWaalsContact O-N 3.1Å; R538-E545 HydrophobicContact CB-CG 4.08Å; R538-E545 WeakPolarHBondContact CB-OE1 3.4Å |
| 539 | L | 86.2 | Confident | 88.5 | Confident | 10 Ų | 10 | 46 Ų | 46 | 5% | 0.052 | 22% | 0.224 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -94.9 | 147.8 | 174.5 | -58.9 | 175.4 | 0 | 0 | 0 | 110.4 | T426 I431 I518 R523 L525 L542 | T426-L539 HydrophobicContact CG2-CD1 3.91Å; I431-L539 HydrophobicContact CD1-CD1 3.72Å; I431-L539 HydrophobicContact CD1-CD2 3.66Å; I431-L539 HydrophobicContact CD1-CG 4.35Å; I518-L539 HydrophobicContact CG2-CD1 4.27Å; R523-L539 HydrophobicContact CB-CB 4.46Å; R523-L539 WeakPolarHBondContact O-CB 3.47Å; R523-L539 PolarHBondContact O-N 3.13Å; L525-L539 HydrophobicContact CB-CD1 4.25Å; L525-L539 HydrophobicContact CB-CD2 4.18Å; L525-L539 HydrophobicContact CB-CG 4.19Å; L539-L542 HydrophobicContact CD2-CD2 3.63Å; L539-L542 HydrophobicContact CD2-CG 4.32Å |
| 540 | P | 77.7 | Confident | 88.2 | Confident | 38 Ų | 38 | 46.1 Ų | 46.1 | 25% | 0.247 | 23% | 0.226 | C | C | . | . | T | Hydrogen-bonded Turn | cis | -87.1 | -9.5 | 10.9 | 33.3 | -35.1 | 0 | 0 | 0 | 115.9 | Q429 R469 L542 | Q429-P540 PolarHBondContact NE2-O 3.34Å; R469-P540 PolarHBondContact NH1-O 2.82Å; P540-L542 VanDerWaalsContact C-N 3.33Å; P540-L542 PolarHBondContact O-N 3.5Å |
| 541 | D | 78.5 | Confident | 87.7 | Confident | 87 Ų | 87 | 43.2 Ų | 43.2 | 47% | 0.465 | 22% | 0.221 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84.5 | -1.4 | -166.4 | -61.8 | -47 | 0 | 0 | 0 | 115.3 | R469 Y543 | R469-D541 IonicContact CZ-OD1 2.72Å; R469-D541 IonicContact NH2-OD1 2.68Å; R469-D541 PolarHBondContact NH2-OD1 3.03Å; D541-Y543 PolarHBondContact O-N 3.26Å |
| 542 | L | 84.3 | Confident | 87.1 | Confident | 7 Ų | 7 | 48 Ų | 48 | 4% | 0.037 | 24% | 0.243 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 51.4 | 40.8 | -170.6 | -69.5 | 174.7 | 0 | 0 | 0 | 112.2 | I438 A440 R469 Y471 L525 Y537 R538 L539 P540 F544 | I438-L542 HydrophobicContact CG2-CD1 4.27Å; I438-L542 HydrophobicContact CG2-CD2 4.41Å; A440-L542 HydrophobicContact CB-CD1 3.59Å; A440-L542 HydrophobicContact CB-CG 4.25Å; R469-L542 HydrophobicContact CB-CD1 4.3Å; Y471-L542 HydrophobicContact CD2-CB 4.06Å; Y471-L542 HydrophobicContact CD2-CD1 3.45Å; Y471-L542 VanDerWaalsContact CD2-CD1 3.45Å; Y471-L542 HydrophobicContact CD2-CG 4.41Å; Y471-L542 HydrophobicContact CE2-CB 3.62Å; Y471-L542 HydrophobicContact CE2-CD1 3.53Å; Y471-L542 HydrophobicContact CE2-CG 4.21Å; L525-L542 HydrophobicContact CD2-CD2 3.57Å; Y537-L542 WeakPolarHBondContact CD1-O 3.43Å; R538-L542 WeakPolarHBondContact O-CA 3.47Å; R538-L542 PolarHBondContact O-N 3.3Å; L539-L542 HydrophobicContact CD2-CD2 3.63Å; L539-L542 HydrophobicContact CD2-CG 4.32Å; P540-L542 VanDerWaalsContact C-N 3.33Å; P540-L542 PolarHBondContact O-N 3.5Å; L542-F544 PolarHBondContact O-N 3.26Å |
| 543 | Y | 84.5 | Confident | 86.9 | Confident | 100 Ų | 100 | 51.3 Ų | 51.3 | 39% | 0.392 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.1 | 121.1 | 178.4 | 178.6 | -90 | 0 | 0 | 0 | 110.2 | Y537 R538 D541 E545 | Y537-Y543 CarbonylContact C-O 3.58Å; Y537-Y543 VanDerWaalsContact CA-O 3.28Å; Y537-Y543 WeakPolarHBondContact CA-O 3.41Å; R538-Y543 PolarHBondContact N-O 3.25Å; R538-Y543 PolarHBondContact O-N 2.88Å; R538-Y543 VanDerWaalsContact O-N 3.1Å; D541-Y543 PolarHBondContact O-N 3.26Å; Y543-E545 HydrophobicContact CD1-CG 4.37Å; Y543-E545 PolarHBondContact O-N 3.13Å |
| 544 | F | 87.7 | Confident | 86.8 | Confident | 33 Ų | 33 | 50.8 Ų | 50.8 | 15% | 0.145 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.9 | 122.2 | 178.4 | 176.2 | -97.6 | 0 | 0 | 0 | 111.2 | I476 Q535 Y537 L542 M546 K547 | I476-F544 HydrophobicContact CG2-CD1 3.69Å; I476-F544 HydrophobicContact CG2-CE1 3.92Å; I476-F544 HydrophobicContact CG2-CG 4.03Å; I476-F544 HydrophobicContact CG2-CZ 4.45Å; Q535-F544 HydrophobicContact CB-CE2 4.23Å; Q535-F544 HydrophobicContact CG-CE2 4.3Å; Y537-F544 HydrophobicContact CD1-CB 4.08Å; Y537-F544 HydrophobicContact CD1-CD2 4.47Å; Y537-F544 HydrophobicContact CE1-CB 3.93Å; Y537-F544 AromaticContact CE1-CD2 3.97Å; Y537-F544 HydrophobicContact CE1-CD2 3.97Å; Y537-F544 HydrophobicContact CE1-CG 4.46Å; L542-F544 PolarHBondContact O-N 3.26Å; F544-M546 WeakPolarHBondContact CE2-O 3.42Å; F544-M546 VanDerWaalsContact CZ-C 3.48Å; F544-K547 HydrophobicContact CE2-CB 4.29Å; F544-K547 HydrophobicContact CZ-CB 4.01Å; F544-K547 HydrophobicContact CZ-CD 4.34Å; F544-K547 HydrophobicContact CZ-CG 4.17Å |
| 545 | E | 85.5 | Confident | 86.7 | Confident | 59 Ų | 59 | 50.8 Ų | 50.8 | 28% | 0.276 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97 | -54.2 | 178.5 | -66.3 | -164.3 | 159.1 | 0 | 0 | 112 | R524 I536 R538 Y543 | R524-E545 IonicContact CZ-OE2 2.81Å; R524-E545 VanDerWaalsContact CZ-OE2 3.24Å; R524-E545 IonicContact NE-OE2 3.11Å; R524-E545 PolarHBondContact NE-OE2 3.44Å; R524-E545 IonicContact NH2-OE2 2.69Å; R524-E545 PolarHBondContact NH2-OE2 3.49Å; I536-E545 HydrophobicContact CG2-CB 4.44Å; I536-E545 PolarHBondContact O-N 3.24Å; R538-E545 HydrophobicContact CB-CG 4.08Å; R538-E545 WeakPolarHBondContact CB-OE1 3.4Å; Y543-E545 HydrophobicContact CD1-CG 4.37Å; Y543-E545 PolarHBondContact O-N 3.13Å |
| 546 | M | 89.2 | Confident | 86.5 | Confident | 32 Ų | 32 | 54.5 Ų | 54.5 | 16% | 0.158 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -162.1 | 170.1 | -173.2 | 65.2 | 174.7 | 76.6 | 0 | 0 | 112.9 | I536 F544 P582 | I536-M546 HydrophobicContact CB-CG 3.94Å; I536-M546 HydrophobicContact CD1-CG 3.85Å; I536-M546 HydrophobicContact CD1-SD 3.93Å; I536-M546 HydrophobicContact CG1-CG 3.93Å; I536-M546 PolarHBondContact N-O 3.12Å; F544-M546 WeakPolarHBondContact CE2-O 3.42Å; F544-M546 VanDerWaalsContact CZ-C 3.48Å; M546-P582 WeakPolarHBondContact CE-O 3.48Å |
| 547 | K | 90.1 | Very high | 86.5 | Confident | 122 Ų | 122 | 56.7 Ų | 56.7 | 53% | 0.53 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.8 | 145.7 | 170.6 | 65.2 | -177 | -179.6 | 179.9 | 0 | 111.7 | L533 I534 Q535 F544 | L533-K547 HydrophobicContact CD1-CB 4.4Å; L533-K547 HydrophobicContact CD2-CD 4.49Å; I534-K547 CarbonylContact O-C 3.57Å; I534-K547 WeakPolarHBondContact O-CA 3.45Å; I534-K547 WeakPolarHBondContact O-CB 3.22Å; Q535-K547 HydrophobicContact CG-CB 4.17Å; F544-K547 HydrophobicContact CE2-CB 4.29Å; F544-K547 HydrophobicContact CZ-CB 4.01Å; F544-K547 HydrophobicContact CZ-CD 4.34Å; F544-K547 HydrophobicContact CZ-CG 4.17Å |
| 548 | F | 90.7 | Very high | 86.8 | Confident | 26 Ų | 26 | 56.2 Ų | 56.2 | 11% | 0.114 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.2 | 162.1 | 175.4 | 66.7 | -81.1 | 0 | 0 | 0 | 110.6 | I534 I536 V550 L567 I581 P582 | I534-F548 HydrophobicContact CB-CD1 4.14Å; I534-F548 HydrophobicContact CB-CE1 3.75Å; I534-F548 HydrophobicContact CB-CE2 4.19Å; I534-F548 HydrophobicContact CB-CZ 3.8Å; I534-F548 HydrophobicContact CG1-CE2 4.15Å; I534-F548 HydrophobicContact CG1-CZ 4.06Å; I534-F548 HydrophobicContact CG2-CD1 4.35Å; I534-F548 HydrophobicContact CG2-CE1 3.57Å; I534-F548 HydrophobicContact CG2-CZ 3.74Å; I534-F548 PolarHBondContact N-O 3.32Å; I534-F548 PolarHBondContact O-N 2.83Å; I536-F548 HydrophobicContact CD1-CE1 3.99Å; I536-F548 HydrophobicContact CG1-CE1 4.25Å; F548-V550 HydrophobicContact CD2-CG2 4.03Å; F548-V550 HydrophobicContact CE2-CG2 3.57Å; F548-V550 HydrophobicContact CZ-CG2 4.48Å; F548-L567 HydrophobicContact CE2-CD2 4.24Å; F548-L567 HydrophobicContact CZ-CD2 3.94Å; F548-I581 HydrophobicContact CE1-CG2 4.47Å; F548-I581 HydrophobicContact CZ-CG1 4.2Å; F548-P582 HydrophobicContact CB-CG 4.07Å; F548-P582 HydrophobicContact CD1-CG 4.49Å; F548-P582 HydrophobicContact CG-CG 4.16Å |
| 549 | S | 89.8 | Confident | 87 | Confident | 77 Ų | 77 | 50.8 Ų | 50.8 | 54% | 0.538 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 145.1 | 179.4 | -179 | 0 | 0 | 0 | 0 | 111.3 | G551 | S549-G551 PolarHBondContact OG-N 3.38Å |
| 550 | V | 85.7 | Confident | 87.4 | Confident | 18 Ų | 18 | 51.1 Ų | 51.1 | 11% | 0.109 | 26% | 0.263 | C | S | . | . | trans | -110.1 | -1.8 | -176.7 | 172.4 | 0 | 0 | 0 | 0 | 112.6 | G532 I534 F548 L567 V569 H579 | G532-V550 PolarHBondContact O-N 3.37Å; I534-V550 HydrophobicContact CD1-CG2 4.22Å; I534-V550 HydrophobicContact CG1-CB 4.35Å; I534-V550 HydrophobicContact CG1-CG2 3.4Å; I534-V550 VanDerWaalsContact CG1-CG2 3.4Å; F548-V550 HydrophobicContact CD2-CG2 4.03Å; F548-V550 HydrophobicContact CE2-CG2 3.57Å; F548-V550 HydrophobicContact CZ-CG2 4.48Å; V550-L567 HydrophobicContact CG2-CD2 4.07Å; V550-V569 HydrophobicContact CG1-CB 4.02Å; V550-V569 HydrophobicContact CG1-CG1 4.09Å; V550-V569 HydrophobicContact CG1-CG2 3.75Å; V550-H579 VanDerWaalsContact CG1-CD2 3.45Å; V550-H579 WeakPolarHBondContact CG1-CD2 3.44Å; V550-H579 VanDerWaalsContact CG1-NE2 3.33Å; V550-H579 WeakPolarHBondContact CG1-NE2 3.29Å; V550-H579 PolarHBondContact O-CE1 3.18Å | ||
| 551 | G | 80.6 | Confident | 88.1 | Confident | 33 Ų | 33 | 49.4 Ų | 49.4 | 34% | 0.34 | 25% | 0.251 | S | S | . | . | trans | 126.5 | -176.9 | -177.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | S549 | S549-G551 PolarHBondContact OG-N 3.38Š| ||
| 552 | D | 79.3 | Confident | 88.5 | Confident | 157 Ų | 157 | 46.9 Ų | 46.9 | 84% | 0.84 | 24% | 0.24 | S | C | * | . | S | Bend | trans | -90.9 | -4.9 | -171.5 | -56.5 | -30.1 | 0 | 0 | 0 | 113.9 | ||
| 553 | N | 85.6 | Confident | 88.6 | Confident | 69 Ų | 69 | 49 Ų | 49 | 37% | 0.369 | 25% | 0.252 | S | S | . | . | S | Bend | trans | -88.4 | 140.2 | -179.1 | -69.7 | 2.1 | 0 | 0 | 0 | 111 | P555 D571 | N553-P555 WeakPolarHBondContact O-CD 3.25Å; N553-D571 HydrophobicContact CB-CB 3.85Å; N553-D571 PolarHBondContact ND2-OD2 2.66Å |
| 554 | C | 90.3 | Very high | 88.8 | Confident | 26 Ų | 26 | 44.4 Ų | 44.4 | 18% | 0.176 | 23% | 0.234 | C | C | . | . | P | Polyproline II helix | trans | -62.1 | 117.3 | 177.4 | -178.4 | 0 | 0 | 0 | 0 | 111.7 | E530 Y556 D571 E572 | E530-C554 WeakPolarHBondContact O-CA 3.36Å; C554-Y556 PolarHBondContact O-N 2.94Å; C554-D571 WeakPolarHBondContact O-CA 3.49Å; C554-E572 HydrophobicContact CB-CG 4.32Å; C554-E572 PolarHBondContact O-N 3.23Å |
| 555 | P | 92.1 | Very high | 88.8 | Confident | 1 Ų | 1 | 43.4 Ų | 43.4 | 1% | 0.006 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.3 | 120.6 | 175.6 | -20.4 | 35.1 | 0 | 0 | 0 | 110.7 | S514 T515 A528 R529 N553 I558 V569 | S514-P555 VanDerWaalsContact CB-O 3.23Å; S514-P555 WeakPolarHBondContact CB-O 3.27Å; S514-P555 PolarHBondContact OG-O 3.11Å; T515-P555 HydrophobicContact CG2-CB 4.4Å; A528-P555 HydrophobicContact CB-CB 3.87Å; A528-P555 HydrophobicContact CB-CG 4.07Å; R529-P555 VanDerWaalsContact O-CD 3.26Å; R529-P555 WeakPolarHBondContact O-CD 3.27Å; N553-P555 WeakPolarHBondContact O-CD 3.25Å; P555-I558 HydrophobicContact CB-CG2 4.24Å; P555-V569 HydrophobicContact CB-CG1 3.86Å; P555-V569 HydrophobicContact CG-CG1 4.38Å |
| 556 | Y | 88.2 | Confident | 89 | Confident | 82 Ų | 82 | 40.6 Ų | 40.6 | 32% | 0.322 | 22% | 0.218 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.7 | -40.1 | 175.4 | 169.9 | -110.9 | 0 | 0 | 0 | 112.1 | C554 I570 | C554-Y556 PolarHBondContact O-N 2.94Å; Y556-I570 WeakPolarHBondContact CA-O 3.47Å; Y556-I570 WeakPolarHBondContact CB-O 3.23Å; Y556-I570 HydrophobicContact CD1-CG2 4.39Å; Y556-I570 PolarHBondContact N-O 2.67Å |
| 557 | R | 92.1 | Very high | 89.1 | Confident | 47 Ų | 47 | 39 Ų | 39 | 18% | 0.177 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.2 | 144.1 | 174.4 | -73.8 | -169.1 | -176.6 | 179 | 4 | 111.6 | Y559 I570 | R557-Y559 HydrophobicContact CB-CE2 3.83Å; R557-Y559 WeakPolarHBondContact CD-OH 3.1Å; R557-Y559 PolarHBondContact NH1-OH 3.27Å; R557-I570 HydrophobicContact CB-CB 4.41Å; R557-I570 PolarHBondContact N-O 3.43Å; R557-I570 PolarHBondContact O-N 3.07Å |
| 558 | I | 94.9 | Very high | 89.3 | Confident | 5 Ų | 5 | 33.2 Ų | 33.2 | 3% | 0.026 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 144.7 | 175.8 | 61.8 | 172.1 | 0 | 0 | 0 | 111.1 | T515 T517 L526 A528 I534 P555 L567 G568 V569 | T515-I558 HydrophobicContact CG2-CB 4.45Å; T515-I558 HydrophobicContact CG2-CD1 4.47Å; T515-I558 HydrophobicContact CG2-CG1 3.96Å; T515-I558 HydrophobicContact CG2-CG2 3.97Å; T517-I558 WeakPolarHBondContact CB-O 3.46Å; T517-I558 HydrophobicContact CG2-CB 4.42Å; T517-I558 HydrophobicContact CG2-CD1 3.77Å; T517-I558 HydrophobicContact CG2-CG1 3.68Å; T517-I558 PolarHBondContact OG1-O 3.29Å; L526-I558 HydrophobicContact CB-CD1 4.16Å; A528-I558 HydrophobicContact CB-CD1 4.18Å; A528-I558 HydrophobicContact CB-CG2 4.21Å; I534-I558 HydrophobicContact CD1-CD1 4.43Å; I534-I558 HydrophobicContact CD1-CG2 4.3Å; P555-I558 HydrophobicContact CB-CG2 4.24Å; I558-L567 HydrophobicContact CB-CD1 4.15Å; I558-G568 CarbonylContact C-O 3.57Å; I558-G568 WeakPolarHBondContact CA-O 3.42Å; I558-V569 HydrophobicContact CB-CG2 4.48Å; I558-V569 HydrophobicContact CG2-CB 4.35Å; I558-V569 HydrophobicContact CG2-CG1 4.11Å; I558-V569 HydrophobicContact CG2-CG2 3.74Å |
| 559 | Y | 94.7 | Very high | 89.5 | Confident | 37 Ų | 37 | 32.4 Ų | 32.4 | 15% | 0.145 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 140.7 | -179.2 | -57.2 | -91.4 | 0 | 0 | 0 | 108.8 | R557 L567 G568 I570 D607 V608 | R557-Y559 HydrophobicContact CB-CE2 3.83Å; R557-Y559 WeakPolarHBondContact CD-OH 3.1Å; R557-Y559 PolarHBondContact NH1-OH 3.27Å; Y559-L567 CarbonylContact O-C 3.53Å; Y559-L567 WeakPolarHBondContact O-CA 3.22Å; Y559-G568 PolarHBondContact N-O 2.88Å; Y559-G568 PolarHBondContact O-N 3.38Å; Y559-I570 HydrophobicContact CE2-CD1 3.77Å; Y559-I570 HydrophobicContact CE2-CG1 4.22Å; Y559-D607 PolarHBondContact OH-OD1 3.18Å; Y559-V608 HydrophobicContact CD1-CB 4.38Å; Y559-V608 VanDerWaalsContact CD1-O 3.25Å; Y559-V608 WeakPolarHBondContact CD1-O 3.46Å; Y559-V608 HydrophobicContact CD2-CB 3.73Å; Y559-V608 HydrophobicContact CD2-CG1 4.3Å; Y559-V608 HydrophobicContact CD2-CG2 4.25Å; Y559-V608 HydrophobicContact CE1-CB 4.44Å; Y559-V608 WeakPolarHBondContact CE1-O 3.32Å; Y559-V608 HydrophobicContact CE2-CB 3.79Å; Y559-V608 HydrophobicContact CE2-CG2 4.13Å; Y559-V608 HydrophobicContact CG-CB 4.02Å; Y559-V608 HydrophobicContact CG-CG1 4.32Å |
| 560 | V | 93.3 | Very high | 89.7 | Confident | 18 Ų | 18 | 28.9 Ų | 28.9 | 11% | 0.109 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 142.1 | 179.8 | 61 | 0 | 0 | 0 | 0 | 109.7 | T517 A564 I581 F610 | T517-V560 HydrophobicContact CG2-CB 4.23Å; T517-V560 HydrophobicContact CG2-CG1 4.07Å; V560-A564 HydrophobicContact CG2-CB 3.78Å; V560-I581 HydrophobicContact CG2-CD1 4.13Å; V560-F610 WeakPolarHBondContact O-CD2 3.19Å |
| 561 | N | 92.3 | Very high | 89.9 | Confident | 1 Ų | 1 | 28.2 Ų | 28.2 | 1% | 0.005 | 15% | 0.153 | C | C | . | . | trans | -74 | 168.2 | 175 | 70 | -13.5 | 0 | 0 | 0 | 112.2 | N563 A564 T565 C566 F610 P615 | N561-N563 VanDerWaalsContact CG-OD1 3.24Å; N561-N563 PolarHBondContact ND2-OD1 3.35Å; N561-N563 PolarHBondContact O-N 3.15Å; N561-N563 PolarHBondContact OD1-OD1 2.61Å; N561-N563 VanDerWaalsContact OD1-OD1 3.06Å; N561-A564 PolarHBondContact O-N 3.48Å; N561-A564 WeakPolarHBondContact OD1-CA 3.28Å; N561-A564 PolarHBondContact OD1-N 3.31Å; N561-A564 VanDerWaalsContact OD1-N 3.17Å; N561-T565 PolarHBondContact ND2-OG1 3.08Å; N561-T565 PolarHBondContact OD1-N 3.09Å; N561-C566 HydrophobicContact CB-CB 4.48Å; N561-C566 PolarHBondContact N-O 2.67Å; N561-C566 VanDerWaalsContact N-O 3.08Å; N561-C566 WeakPolarHBondContact ND2-CB 3.39Å; N561-C566 PolarHBondContact ND2-N 3.46Å; N561-C566 PolarHBondContact OD1-N 3.43Å; N561-C566 PolarHBondContact OD1-O 3.13Å; N561-F610 HydrophobicContact CB-CB 4.23Å; N561-F610 HydrophobicContact CB-CD1 3.53Å; N561-F610 HydrophobicContact CB-CD2 4.32Å; N561-F610 HydrophobicContact CB-CE1 3.91Å; N561-F610 HydrophobicContact CB-CG 3.77Å; N561-F610 HydrophobicContact CB-CZ 4.44Å; N561-P615 WeakPolarHBondContact ND2-CB 3.35Å; N561-P615 PolarHBondContact ND2-O 3.03Å; N561-P615 VanDerWaalsContact ND2-O 3.13Å | ||
| 562 | C | 88.8 | Confident | 90.1 | Very high | 34 Ų | 34 | 33.2 Ų | 33.2 | 23% | 0.23 | 17% | 0.167 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.4 | -18.9 | -170.3 | 65.7 | 0 | 0 | 0 | 0 | 115.2 | S521 E612 P615 | S521-C562 VanDerWaalsContact CB-O 3.23Å; S521-C562 WeakPolarHBondContact CB-O 3.49Å; S521-C562 PolarHBondContact OG-O 3.09Å; C562-E612 WeakPolarHBondContact CB-O 3.34Å; C562-E612 PolarHBondContact SG-O 3.27Å; C562-P615 VanDerWaalsContact SG-N 3.42Å |
| 563 | N | 86.3 | Confident | 90.3 | Very high | 53 Ų | 53 | 29 Ų | 29 | 28% | 0.283 | 15% | 0.15 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -111.8 | 7.5 | 176.3 | 68.8 | -6.8 | 0 | 0 | 0 | 113.8 | N561 T565 P615 | N561-N563 VanDerWaalsContact CG-OD1 3.24Å; N561-N563 PolarHBondContact ND2-OD1 3.35Å; N561-N563 PolarHBondContact O-N 3.15Å; N561-N563 PolarHBondContact OD1-OD1 2.61Å; N561-N563 VanDerWaalsContact OD1-OD1 3.06Å; N563-T565 VanDerWaalsContact C-N 3.32Å; N563-T565 WeakPolarHBondContact ND2-CG2 3.38Å; N563-T565 PolarHBondContact ND2-OG1 2.78Å; N563-T565 PolarHBondContact O-N 3.14Å; N563-T565 WeakPolarHBondContact OD1-CB 3.4Å; N563-T565 WeakPolarHBondContact OD1-CG2 3.3Å; N563-T565 PolarHBondContact OD1-N 3.04Å; N563-T565 PolarHBondContact OD1-OG1 3.45Å; N563-P615 HydrophobicContact CB-CB 4.45Å; N563-P615 VanDerWaalsContact CG-CB 3.5Å; N563-P615 WeakPolarHBondContact ND2-CB 3.28Å; N563-P615 WeakPolarHBondContact OD1-CB 3.48Å |
| 564 | A | 86.9 | Confident | 90.3 | Very high | 2 Ų | 2 | 25.9 Ų | 25.9 | 2% | 0.017 | 13% | 0.134 | C | C | . | . | S | Bend | trans | 55.8 | 37.8 | -178.9 | 0 | 0 | 0 | 0 | 0 | 115.7 | T522 V560 N561 I581 | T522-A564 HydrophobicContact CG2-CB 3.86Å; V560-A564 HydrophobicContact CG2-CB 3.78Å; N561-A564 PolarHBondContact O-N 3.48Å; N561-A564 WeakPolarHBondContact OD1-CA 3.28Å; N561-A564 PolarHBondContact OD1-N 3.31Å; N561-A564 VanDerWaalsContact OD1-N 3.17Å; A564-I581 VanDerWaalsContact O-CD1 3.32Å; A564-I581 WeakPolarHBondContact O-CD1 3.34Å |
| 565 | T | 87.7 | Confident | 90.4 | Very high | 12 Ų | 12 | 26.1 Ų | 26.1 | 7% | 0.074 | 13% | 0.134 | C | C | . | . | S | Bend | trans | -100.8 | -21.6 | 175 | 55.8 | 0 | 0 | 0 | 0 | 113.3 | N561 N563 I581 V592 | N561-T565 PolarHBondContact ND2-OG1 3.08Å; N561-T565 PolarHBondContact OD1-N 3.09Å; N563-T565 VanDerWaalsContact C-N 3.32Å; N563-T565 WeakPolarHBondContact ND2-CG2 3.38Å; N563-T565 PolarHBondContact ND2-OG1 2.78Å; N563-T565 PolarHBondContact O-N 3.14Å; N563-T565 WeakPolarHBondContact OD1-CB 3.4Å; N563-T565 WeakPolarHBondContact OD1-CG2 3.3Å; N563-T565 PolarHBondContact OD1-N 3.04Å; N563-T565 PolarHBondContact OD1-OG1 3.45Å; T565-I581 PolarHBondContact O-N 3.39Å; T565-V592 WeakPolarHBondContact OG1-CG2 3.37Å |
| 566 | C | 90.3 | Very high | 90.5 | Very high | 0 Ų | 0 | 26.1 Ų | 26.1 | 0% | 0 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 136.6 | -178.9 | -172 | 0 | 0 | 0 | 0 | 110.5 | N561 H579 F594 | N561-C566 HydrophobicContact CB-CB 4.48Å; N561-C566 PolarHBondContact N-O 2.67Å; N561-C566 VanDerWaalsContact N-O 3.08Å; N561-C566 WeakPolarHBondContact ND2-CB 3.39Å; N561-C566 PolarHBondContact ND2-N 3.46Å; N561-C566 PolarHBondContact OD1-N 3.43Å; N561-C566 PolarHBondContact OD1-O 3.13Å; C566-H579 WeakPolarHBondContact CA-O 3.3Å; C566-F594 HydrophobicContact CB-CD2 4.29Å; C566-F594 HydrophobicContact CB-CE2 3.76Å; C566-F594 WeakPolarHBondContact SG-CE2 3.28Å |
| 567 | L | 92.3 | Very high | 90.7 | Very high | 0 Ų | 0 | 25.6 Ų | 25.6 | 0% | 0 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 120.3 | 176.9 | -173 | 76.8 | 0 | 0 | 0 | 109.2 | L526 I534 F548 V550 I558 Y559 V569 L578 H579 I581 | L526-L567 HydrophobicContact CD2-CD1 3.67Å; I534-L567 HydrophobicContact CD1-CD2 4.02Å; I534-L567 HydrophobicContact CG1-CD2 3.94Å; I534-L567 HydrophobicContact CG2-CD2 4.48Å; F548-L567 HydrophobicContact CE2-CD2 4.24Å; F548-L567 HydrophobicContact CZ-CD2 3.94Å; V550-L567 HydrophobicContact CG2-CD2 4.07Å; I558-L567 HydrophobicContact CB-CD1 4.15Å; Y559-L567 CarbonylContact O-C 3.53Å; Y559-L567 WeakPolarHBondContact O-CA 3.22Å; L567-V569 HydrophobicContact CD2-CG2 3.5Å; L567-V569 HydrophobicContact CG-CG2 3.71Å; L567-L578 CarbonylContact O-C 3.57Å; L567-L578 WeakPolarHBondContact O-CA 3.35Å; L567-H579 HydrophobicContact CB-CB 4.47Å; L567-H579 PolarHBondContact N-O 2.84Å; L567-H579 PolarHBondContact O-N 2.81Å; L567-I581 HydrophobicContact CB-CD1 4.26Å; L567-I581 HydrophobicContact CB-CG1 4.07Å |
| 568 | G | 93.7 | Very high | 90.7 | Very high | 0 Ų | 0 | 23.5 Ų | 23.5 | 0% | 0 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 126 | 167.3 | 0 | 0 | 0 | 0 | 0 | 110.6 | I558 Y559 R577 | I558-G568 CarbonylContact C-O 3.57Å; I558-G568 WeakPolarHBondContact CA-O 3.42Å; Y559-G568 PolarHBondContact N-O 2.88Å; Y559-G568 PolarHBondContact O-N 3.38Å; G568-R577 WeakPolarHBondContact CA-O 3.42Å |
| 569 | V | 94.7 | Very high | 90.4 | Very high | 9 Ų | 9 | 25.1 Ų | 25.1 | 6% | 0.055 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 126 | -177.5 | 179.7 | 0 | 0 | 0 | 0 | 110.1 | V550 P555 I558 L567 F576 R577 | V550-V569 HydrophobicContact CG1-CB 4.02Å; V550-V569 HydrophobicContact CG1-CG1 4.09Å; V550-V569 HydrophobicContact CG1-CG2 3.75Å; P555-V569 HydrophobicContact CB-CG1 3.86Å; P555-V569 HydrophobicContact CG-CG1 4.38Å; I558-V569 HydrophobicContact CB-CG2 4.48Å; I558-V569 HydrophobicContact CG2-CB 4.35Å; I558-V569 HydrophobicContact CG2-CG1 4.11Å; I558-V569 HydrophobicContact CG2-CG2 3.74Å; L567-V569 HydrophobicContact CD2-CG2 3.5Å; L567-V569 HydrophobicContact CG-CG2 3.71Å; V569-F576 CarbonylContact O-C 3.54Å; V569-F576 VanDerWaalsContact O-CA 3.31Å; V569-F576 WeakPolarHBondContact O-CA 3.15Å; V569-F576 WeakPolarHBondContact O-CD2 3.38Å; V569-R577 PolarHBondContact N-O 3.21Å; V569-R577 PolarHBondContact O-N 2.98Å |
| 570 | I | 93.7 | Very high | 90.1 | Very high | 2 Ų | 2 | 26.6 Ų | 26.6 | 1% | 0.01 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 122 | 167.7 | -54.7 | 176.4 | 0 | 0 | 0 | 106.9 | Y556 R557 Y559 I575 F576 V605 V608 | Y556-I570 WeakPolarHBondContact CA-O 3.47Å; Y556-I570 WeakPolarHBondContact CB-O 3.23Å; Y556-I570 HydrophobicContact CD1-CG2 4.39Å; Y556-I570 PolarHBondContact N-O 2.67Å; R557-I570 HydrophobicContact CB-CB 4.41Å; R557-I570 PolarHBondContact N-O 3.43Å; R557-I570 PolarHBondContact O-N 3.07Å; Y559-I570 HydrophobicContact CE2-CD1 3.77Å; Y559-I570 HydrophobicContact CE2-CG1 4.22Å; I570-I575 WeakPolarHBondContact CA-O 3.26Å; I570-F576 HydrophobicContact CG1-CB 4.38Å; I570-F576 HydrophobicContact CG1-CD2 3.78Å; I570-V605 HydrophobicContact CD1-CG1 4.05Å; I570-V605 HydrophobicContact CG1-CG1 4.4Å; I570-V605 WeakPolarHBondContact CG2-O 3.46Å; I570-V608 HydrophobicContact CD1-CG2 4.02Å; I570-V608 HydrophobicContact CG1-CG2 4.38Å |
| 571 | D | 90.3 | Very high | 89.8 | Confident | 4 Ų | 4 | 26.2 Ų | 26.2 | 2% | 0.021 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84 | 170.5 | 173.5 | 67.6 | 26.4 | 0 | 0 | 0 | 112.7 | N553 C554 S573 G574 I575 R577 | N553-D571 HydrophobicContact CB-CB 3.85Å; N553-D571 PolarHBondContact ND2-OD2 2.66Å; C554-D571 WeakPolarHBondContact O-CA 3.49Å; D571-S573 PolarHBondContact O-N 3.35Å; D571-S573 VanDerWaalsContact O-N 3.1Å; D571-S573 WeakPolarHBondContact OD1-CA 3.45Å; D571-S573 WeakPolarHBondContact OD1-CB 3.33Å; D571-S573 PolarHBondContact OD1-N 2.75Å; D571-S573 PolarHBondContact OD1-OG 2.85Å; D571-G574 PolarHBondContact O-N 2.94Å; D571-G574 PolarHBondContact OD1-N 3.1Å; D571-I575 PolarHBondContact N-O 3.23Å; D571-I575 WeakPolarHBondContact OD1-CB 3.44Å; D571-I575 PolarHBondContact OD1-N 2.79Å; D571-R577 IonicContact OD2-CZ 3.62Å; D571-R577 IonicContact OD2-NH1 3.74Å; D571-R577 PolarHBondContact OD2-NH1 2.82Å |
| 572 | E | 85.4 | Confident | 89.2 | Confident | 138 Ų | 138 | 29.3 Ų | 29.3 | 65% | 0.645 | 16% | 0.158 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57 | -22.5 | 178.6 | 64.7 | 178.9 | -179.9 | 0 | 0 | 114.4 | C554 G574 | C554-E572 HydrophobicContact CB-CG 4.32Å; C554-E572 PolarHBondContact O-N 3.23Å; E572-G574 VanDerWaalsContact C-N 3.28Å |
| 573 | S | 82.6 | Confident | 88.2 | Confident | 69 Ų | 69 | 30 Ų | 30 | 48% | 0.483 | 16% | 0.159 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85.1 | -1.4 | 177.3 | 76.3 | 0 | 0 | 0 | 0 | 113.3 | D571 I575 | D571-S573 PolarHBondContact O-N 3.35Å; D571-S573 VanDerWaalsContact O-N 3.1Å; D571-S573 WeakPolarHBondContact OD1-CA 3.45Å; D571-S573 WeakPolarHBondContact OD1-CB 3.33Å; D571-S573 PolarHBondContact OD1-N 2.75Å; D571-S573 PolarHBondContact OD1-OG 2.85Å; S573-I575 WeakPolarHBondContact OG-CD1 3.36Å; S573-I575 WeakPolarHBondContact OG-CG1 3.4Å |
| 574 | G | 85.9 | Confident | 86.8 | Confident | 4 Ų | 4 | 35.6 Ų | 35.6 | 4% | 0.041 | 19% | 0.189 | C | C | . | . | S | Bend | trans | 78.5 | 19.6 | -177.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | D571 E572 K603 D604 V605 | D571-G574 PolarHBondContact O-N 2.94Å; D571-G574 PolarHBondContact OD1-N 3.1Å; E572-G574 VanDerWaalsContact C-N 3.28Å; G574-K603 CarbonylContact O-C 3.58Å; G574-D604 PolarHBondContact O-N 3.35Å; G574-V605 PolarHBondContact O-N 3.03Å |
| 575 | I | 91.3 | Very high | 85 | Confident | 31 Ų | 31 | 38.2 Ų | 38.2 | 16% | 0.159 | 21% | 0.207 | C | C | . | . | trans | -89.5 | 125.8 | 175 | -61.9 | 173 | 0 | 0 | 0 | 108.9 | I570 D571 S573 R577 I601 R602 K603 | I570-I575 WeakPolarHBondContact CA-O 3.26Å; D571-I575 PolarHBondContact N-O 3.23Å; D571-I575 WeakPolarHBondContact OD1-CB 3.44Å; D571-I575 PolarHBondContact OD1-N 2.79Å; S573-I575 WeakPolarHBondContact OG-CD1 3.36Å; S573-I575 WeakPolarHBondContact OG-CG1 3.4Å; I575-R577 HydrophobicContact CG2-CG 4.3Å; I575-I601 HydrophobicContact CG2-CG2 3.5Å; I575-R602 CarbonylContact C-O 3.57Å; I575-R602 WeakPolarHBondContact CA-O 3.25Å; I575-K603 HydrophobicContact CG1-CG 4.42Å | ||
| 576 | F | 94 | Very high | 83 | Confident | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 130.3 | 175.3 | 176.7 | -112.7 | 0 | 0 | 0 | 111.4 | V569 I570 L578 F600 R602 V605 V608 F618 I620 | V569-F576 CarbonylContact O-C 3.54Å; V569-F576 VanDerWaalsContact O-CA 3.31Å; V569-F576 WeakPolarHBondContact O-CA 3.15Å; V569-F576 WeakPolarHBondContact O-CD2 3.38Å; I570-F576 HydrophobicContact CG1-CB 4.38Å; I570-F576 HydrophobicContact CG1-CD2 3.78Å; F576-L578 HydrophobicContact CE1-CD2 3.95Å; F576-L578 HydrophobicContact CE1-CG 4.09Å; F576-L578 HydrophobicContact CE2-CD2 4.39Å; F576-L578 HydrophobicContact CZ-CD2 3.5Å; F576-L578 HydrophobicContact CZ-CG 4.12Å; F576-F600 AromaticContact CD1-CE1 3.84Å; F576-F600 HydrophobicContact CD1-CE1 3.84Å; F576-F600 AromaticContact CE1-CE1 3.76Å; F576-F600 HydrophobicContact CE1-CE1 3.76Å; F576-R602 HydrophobicContact CB-CB 4.29Å; F576-R602 HydrophobicContact CD1-CB 4.46Å; F576-R602 HydrophobicContact CD1-CG 4.49Å; F576-R602 PolarHBondContact N-O 3.12Å; F576-R602 PolarHBondContact O-N 3.3Å; F576-V605 HydrophobicContact CB-CB 3.72Å; F576-V605 HydrophobicContact CB-CG1 3.87Å; F576-V605 HydrophobicContact CB-CG2 3.76Å; F576-V605 HydrophobicContact CG-CG1 4.24Å; F576-V608 HydrophobicContact CD2-CG2 3.86Å; F576-V608 HydrophobicContact CE2-CB 4.4Å; F576-V608 HydrophobicContact CE2-CG1 4.1Å; F576-V608 HydrophobicContact CE2-CG2 3.62Å; F576-V608 HydrophobicContact CG-CG2 4.43Å; F576-V608 HydrophobicContact CZ-CG1 3.97Å; F576-V608 HydrophobicContact CZ-CG2 4.01Å; F576-F618 HydrophobicContact CE1-CD2 4.45Å; F576-F618 AromaticContact CE1-CE2 3.88Å; F576-F618 HydrophobicContact CE1-CE2 3.88Å; F576-F618 HydrophobicContact CZ-CE2 4.42Å; F576-I620 HydrophobicContact CD1-CG2 4.2Å; F576-I620 HydrophobicContact CE1-CG2 3.85Å; F576-I620 HydrophobicContact CZ-CG2 4.34Å |
| 577 | R | 93.3 | Very high | 80.9 | Confident | 72 Ų | 72 | 48.9 Ų | 48.9 | 27% | 0.272 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 156 | 175.2 | -62 | -174.5 | -178 | 90.4 | -3.5 | 110.4 | G568 V569 D571 I575 H579 I601 | G568-R577 WeakPolarHBondContact CA-O 3.42Å; V569-R577 PolarHBondContact N-O 3.21Å; V569-R577 PolarHBondContact O-N 2.98Å; D571-R577 IonicContact OD2-CZ 3.62Å; D571-R577 IonicContact OD2-NH1 3.74Å; D571-R577 PolarHBondContact OD2-NH1 2.82Å; I575-R577 HydrophobicContact CG2-CG 4.3Å; R577-H579 WeakPolarHBondContact CB-NE2 3.47Å; R577-I601 HydrophobicContact CG-CG1 4.39Å |
| 578 | L | 92.2 | Very high | 78.6 | Confident | 3 Ų | 3 | 52.6 Ų | 52.6 | 2% | 0.016 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 140.4 | 173.5 | -67.4 | 171.2 | 0 | 0 | 0 | 109.4 | L567 F576 F594 I597 F600 F610 F618 L632 | L567-L578 CarbonylContact O-C 3.57Å; L567-L578 WeakPolarHBondContact O-CA 3.35Å; F576-L578 HydrophobicContact CE1-CD2 3.95Å; F576-L578 HydrophobicContact CE1-CG 4.09Å; F576-L578 HydrophobicContact CE2-CD2 4.39Å; F576-L578 HydrophobicContact CZ-CD2 3.5Å; F576-L578 HydrophobicContact CZ-CG 4.12Å; L578-F594 HydrophobicContact CD1-CE1 4.36Å; L578-I597 HydrophobicContact CB-CD1 3.66Å; L578-I597 HydrophobicContact CB-CG1 3.6Å; L578-F600 HydrophobicContact CD1-CD1 3.73Å; L578-F600 HydrophobicContact CD1-CE1 3.9Å; L578-F600 HydrophobicContact CD1-CG 4.34Å; L578-F600 HydrophobicContact CG-CD1 3.91Å; L578-F600 HydrophobicContact CG-CE1 4.14Å; L578-F610 HydrophobicContact CD2-CE1 4.42Å; L578-F610 HydrophobicContact CD2-CZ 3.98Å; L578-F618 HydrophobicContact CD1-CE1 3.87Å; L578-F618 HydrophobicContact CD1-CZ 3.72Å; L578-L632 HydrophobicContact CD1-CD2 3.9Å |
| 579 | H | 89.7 | Confident | 76.3 | Confident | 39 Ų | 39 | 58.7 Ų | 58.7 | 18% | 0.181 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 133.6 | -178.6 | -64.1 | -93.9 | 0 | 0 | 0 | 109.6 | V550 C566 L567 R577 | V550-H579 VanDerWaalsContact CG1-CD2 3.45Å; V550-H579 WeakPolarHBondContact CG1-CD2 3.44Å; V550-H579 VanDerWaalsContact CG1-NE2 3.33Å; V550-H579 WeakPolarHBondContact CG1-NE2 3.29Å; V550-H579 PolarHBondContact O-CE1 3.18Å; C566-H579 WeakPolarHBondContact CA-O 3.3Å; L567-H579 HydrophobicContact CB-CB 4.47Å; L567-H579 PolarHBondContact N-O 2.84Å; L567-H579 PolarHBondContact O-N 2.81Å; R577-H579 WeakPolarHBondContact CB-NE2 3.47Å |
| 580 | L | 88.1 | Confident | 74.1 | Confident | 68 Ų | 68 | 63.5 Ų | 63.5 | 36% | 0.356 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.7 | 132.7 | 172.9 | -66.5 | 172.7 | 0 | 0 | 0 | 109.5 | L589 F594 I597 | L580-L589 HydrophobicContact CD1-CD2 4.45Å; L580-F594 HydrophobicContact CD2-CD2 4.36Å; L580-I597 HydrophobicContact CD2-CD1 4.05Å; L580-I597 HydrophobicContact CG-CD1 3.9Å |
| 581 | I | 86.8 | Confident | 72.1 | Confident | 10 Ų | 10 | 65.4 Ų | 65.4 | 5% | 0.051 | 37% | 0.37 | C | S | . | . | P | Polyproline II helix | trans | -77.3 | 125.4 | 176.1 | -64.3 | 169.3 | 0 | 0 | 0 | 107.7 | L526 I536 F548 V560 A564 T565 L567 D583 | L526-I581 HydrophobicContact CD2-CD1 3.97Å; I536-I581 HydrophobicContact CD1-CG2 3.77Å; F548-I581 HydrophobicContact CE1-CG2 4.47Å; F548-I581 HydrophobicContact CZ-CG1 4.2Å; V560-I581 HydrophobicContact CG2-CD1 4.13Å; A564-I581 VanDerWaalsContact O-CD1 3.32Å; A564-I581 WeakPolarHBondContact O-CD1 3.34Å; T565-I581 PolarHBondContact O-N 3.39Å; L567-I581 HydrophobicContact CB-CD1 4.26Å; L567-I581 HydrophobicContact CB-CG1 4.07Å; I581-D583 PolarHBondContact O-N 2.78Å |
| 582 | P | 79.2 | Confident | 70.5 | Confident | 66 Ų | 66 | 66.4 Ų | 66.4 | 43% | 0.429 | 38% | 0.376 | S | S | . | . | P | Polyproline II helix | trans | -64.6 | 127.5 | 178.7 | -17.6 | 29.8 | 0 | 0 | 0 | 110.9 | M546 F548 | M546-P582 WeakPolarHBondContact CE-O 3.48Å; F548-P582 HydrophobicContact CB-CG 4.07Å; F548-P582 HydrophobicContact CD1-CG 4.49Å; F548-P582 HydrophobicContact CG-CG 4.16Å |
| 583 | D | 68.8 | Low | 69.3 | Low | 48 Ų | 48 | 67.4 Ų | 67.4 | 26% | 0.257 | 38% | 0.378 | S | S | . | . | trans | -105.8 | 144.1 | 171.4 | -86.8 | -32.2 | 0 | 0 | 0 | 110.6 | I581 S585 L588 | I581-D583 PolarHBondContact O-N 2.78Å; D583-S585 PolarHBondContact O-N 2.78Å; D583-S585 VanDerWaalsContact O-N 3.16Å; D583-L588 WeakPolarHBondContact OD2-CD1 3.2Å | ||
| 584 | N | 56.1 | Low | 68.3 | Low | 170 Ų | 170 | 64.7 Ų | 64.7 | 91% | 0.909 | 36% | 0.358 | S | S | * | . | S | Bend | trans | -66.8 | -10.4 | 173 | -78.8 | -17.8 | 0 | 0 | 0 | 113 | ||
| 585 | S | 48.5 | Very low | 66.9 | Low | 57 Ų | 57 | 72.4 Ų | 72.4 | 40% | 0.399 | 39% | 0.393 | S | S | . | . | S | Bend | trans | -114.3 | 116.1 | 179.2 | 55.9 | 0 | 0 | 0 | 0 | 111.2 | D583 S587 | D583-S585 PolarHBondContact O-N 2.78Å; D583-S585 VanDerWaalsContact O-N 3.16Å; S585-S587 PolarHBondContact O-N 3.38Å |
| 586 | N | 45.8 | Very low | 65.6 | Low | 149 Ų | 149 | 76.9 Ų | 76.9 | 80% | 0.797 | 42% | 0.417 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.4 | -2.1 | 178.6 | -80.7 | -16.8 | 0 | 0 | 0 | 115.7 | ||
| 587 | S | 46 | Very low | 64.8 | Low | 88 Ų | 88 | 77.6 Ų | 77.6 | 62% | 0.615 | 42% | 0.421 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.3 | -21.5 | -172 | 76.5 | 0 | 0 | 0 | 0 | 115.1 | S585 S590 | S585-S587 PolarHBondContact O-N 3.38Å; S587-S590 PolarHBondContact O-OG 3.14Å |
| 588 | L | 43.8 | Very low | 63.8 | Low | 77 Ų | 77 | 80.9 Ų | 80.9 | 40% | 0.403 | 44% | 0.444 | S | S | . | . | G | 310 helix | trans | -88.1 | -12.7 | -173.3 | -76.3 | 166.7 | 0 | 0 | 0 | 115.2 | D583 S590 S591 | D583-L588 WeakPolarHBondContact OD2-CD1 3.2Å; L588-S590 PolarHBondContact O-N 2.99Å; L588-S591 WeakPolarHBondContact O-CB 3.08Å; L588-S591 PolarHBondContact O-N 2.98Å; L588-S591 PolarHBondContact O-OG 3.42Å |
| 589 | L | 45.7 | Very low | 63.2 | Low | 129 Ų | 129 | 87 Ų | 87 | 68% | 0.675 | 48% | 0.476 | S | S | * | . | G | 310 helix | trans | -56 | -15.4 | 171.2 | -80.8 | 153.1 | 0 | 0 | 0 | 113 | L580 | L580-L589 HydrophobicContact CD1-CD2 4.45Š|
| 590 | S | 48.4 | Very low | 63.2 | Low | 109 Ų | 109 | 86.2 Ų | 86.2 | 76% | 0.762 | 47% | 0.472 | S | S | * | . | G | 310 helix | trans | -82.1 | -12.5 | 175.4 | 64.4 | 0 | 0 | 0 | 0 | 115.1 | S587 L588 | S587-S590 PolarHBondContact O-OG 3.14Å; L588-S590 PolarHBondContact O-N 2.99Å |
| 591 | S | 52.5 | Low | 63.3 | Low | 43 Ų | 43 | 87 Ų | 87 | 30% | 0.301 | 48% | 0.476 | S | S | . | . | S | Bend | trans | -88.5 | -14.7 | -167.4 | 65.2 | 0 | 0 | 0 | 0 | 115.1 | L588 | L588-S591 WeakPolarHBondContact O-CB 3.08Å; L588-S591 PolarHBondContact O-N 2.98Å; L588-S591 PolarHBondContact O-OG 3.42Å |
| 592 | V | 57.6 | Low | 63.6 | Low | 25 Ų | 25 | 89.2 Ų | 89.2 | 15% | 0.152 | 48% | 0.484 | C | S | . | . | trans | -119.7 | 126.6 | -171.6 | -164.6 | 0 | 0 | 0 | 0 | 111.4 | T565 F594 N616 | T565-V592 WeakPolarHBondContact OG1-CG2 3.37Å; V592-F594 HydrophobicContact CB-CD2 4.27Å; V592-F594 HydrophobicContact CG1-CB 4.38Å; V592-F594 HydrophobicContact CG1-CD1 4.49Å; V592-F594 HydrophobicContact CG1-CD2 3.02Å; V592-F594 HydrophobicContact CG1-CE2 3.13Å; V592-F594 HydrophobicContact CG1-CG 3.74Å; V592-F594 HydrophobicContact CG1-CZ 3.97Å; V592-F594 PolarHBondContact O-N 2.84Å; V592-F594 VanDerWaalsContact O-N 3.07Å; V592-N616 VanDerWaalsContact CA-OD1 3.28Å; V592-N616 WeakPolarHBondContact CA-OD1 3.41Å; V592-N616 WeakPolarHBondContact CG1-OD1 3.38Å | ||
| 593 | K | 58.9 | Low | 64.2 | Low | 158 Ų | 158 | 92.5 Ų | 92.5 | 69% | 0.687 | 49% | 0.492 | S | S | * | . | trans | -81.8 | 34.5 | -177.9 | -68.3 | -174.4 | 178.9 | 178.3 | 0 | 113.6 | Q595 N616 | K593-Q595 PolarHBondContact O-N 2.97Å; K593-N616 PolarHBondContact N-OD1 2.78Å | ||
| 594 | F | 61.7 | Low | 65.2 | Low | 13 Ų | 13 | 92.4 Ų | 92.4 | 6% | 0.057 | 49% | 0.491 | C | S | . | . | trans | -93.7 | 68.5 | 176.9 | -59.4 | -44.1 | 0 | 0 | 0 | 111.4 | C566 L578 L580 V592 I597 F618 G631 L632 | C566-F594 HydrophobicContact CB-CD2 4.29Å; C566-F594 HydrophobicContact CB-CE2 3.76Å; C566-F594 WeakPolarHBondContact SG-CE2 3.28Å; L578-F594 HydrophobicContact CD1-CE1 4.36Å; L580-F594 HydrophobicContact CD2-CD2 4.36Å; V592-F594 HydrophobicContact CB-CD2 4.27Å; V592-F594 HydrophobicContact CG1-CB 4.38Å; V592-F594 HydrophobicContact CG1-CD1 4.49Å; V592-F594 HydrophobicContact CG1-CD2 3.02Å; V592-F594 HydrophobicContact CG1-CE2 3.13Å; V592-F594 HydrophobicContact CG1-CG 3.74Å; V592-F594 HydrophobicContact CG1-CZ 3.97Å; V592-F594 PolarHBondContact O-N 2.84Å; V592-F594 VanDerWaalsContact O-N 3.07Å; F594-I597 HydrophobicContact CB-CB 4.11Å; F594-I597 HydrophobicContact CB-CD1 3.76Å; F594-I597 HydrophobicContact CB-CG1 4Å; F594-I597 HydrophobicContact CD2-CD1 3.85Å; F594-I597 HydrophobicContact CG-CD1 4.03Å; F594-I597 HydrophobicContact CG-CG1 4.47Å; F594-F618 HydrophobicContact CE1-CD1 4.46Å; F594-F618 AromaticContact CE1-CE1 3.93Å; F594-F618 HydrophobicContact CE1-CE1 3.93Å; F594-F618 HydrophobicContact CZ-CD1 4.37Å; F594-F618 HydrophobicContact CZ-CE1 4.21Å; F594-G631 WeakPolarHBondContact CE1-O 3.44Å; F594-L632 HydrophobicContact CD1-CD2 3.64Å; F594-L632 HydrophobicContact CD1-CG 4.07Å; F594-L632 HydrophobicContact CE1-CD2 4.3Å; F594-L632 HydrophobicContact CG-CD2 4.38Å | ||
| 595 | Q | 57.4 | Low | 66.9 | Low | 166 Ų | 166 | 84.3 Ų | 84.3 | 78% | 0.776 | 45% | 0.448 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.4 | 133 | 168.8 | -66.3 | -178.6 | -6.6 | 0 | 0 | 109.4 | K593 L632 | K593-Q595 PolarHBondContact O-N 2.97Å; Q595-L632 WeakPolarHBondContact O-CD1 3.27Å |
| 596 | N | 62.6 | Low | 68.9 | Low | 125 Ų | 125 | 82.1 Ų | 82.1 | 67% | 0.668 | 43% | 0.431 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 63.1 | 38 | -177.7 | -55.9 | -29.8 | 0 | 0 | 0 | 115.2 | D598 N599 | N596-D598 PolarHBondContact O-N 3.16Å; N596-N599 PolarHBondContact O-N 3.42Å; N596-N599 VanDerWaalsContact O-N 3.15Å |
| 597 | I | 78.5 | Confident | 71.1 | Confident | 14 Ų | 14 | 75.5 Ų | 75.5 | 7% | 0.072 | 40% | 0.395 | C | S | . | . | G | 310 helix | trans | -54.8 | -34.1 | 179.7 | -154.4 | 172.3 | 0 | 0 | 0 | 113 | L578 L580 F594 N599 F600 | L578-I597 HydrophobicContact CB-CD1 3.66Å; L578-I597 HydrophobicContact CB-CG1 3.6Å; L580-I597 HydrophobicContact CD2-CD1 4.05Å; L580-I597 HydrophobicContact CG-CD1 3.9Å; F594-I597 HydrophobicContact CB-CB 4.11Å; F594-I597 HydrophobicContact CB-CD1 3.76Å; F594-I597 HydrophobicContact CB-CG1 4Å; F594-I597 HydrophobicContact CD2-CD1 3.85Å; F594-I597 HydrophobicContact CG-CD1 4.03Å; F594-I597 HydrophobicContact CG-CG1 4.47Å; I597-N599 PolarHBondContact O-N 3.49Å; I597-N599 VanDerWaalsContact O-N 3.11Å; I597-F600 WeakPolarHBondContact O-CB 3.41Å; I597-F600 PolarHBondContact O-N 2.64Å |
| 598 | D | 70.7 | Confident | 73.4 | Confident | 142 Ų | 142 | 71.4 Ų | 71.4 | 76% | 0.759 | 37% | 0.366 | S | S | * | . | G | 310 helix | trans | -61 | -24.1 | -178.1 | -58 | -29.5 | 0 | 0 | 0 | 113.5 | N596 | N596-D598 PolarHBondContact O-N 3.16Š|
| 599 | N | 80.5 | Confident | 75.9 | Confident | 131 Ų | 131 | 70.6 Ų | 70.6 | 70% | 0.701 | 36% | 0.36 | S | S | * | . | G | 310 helix | trans | -92.4 | -6.2 | 179.1 | -68.4 | -25.8 | 0 | 0 | 0 | 113 | N596 I597 I601 | N596-N599 PolarHBondContact O-N 3.42Å; N596-N599 VanDerWaalsContact O-N 3.15Å; I597-N599 PolarHBondContact O-N 3.49Å; I597-N599 VanDerWaalsContact O-N 3.11Å; N599-I601 PolarHBondContact O-N 2.84Å |
| 600 | F | 88.9 | Confident | 78.2 | Confident | 22 Ų | 22 | 65.1 Ų | 65.1 | 10% | 0.096 | 33% | 0.33 | C | S | . | . | trans | -80.7 | 105.3 | -176.9 | -174.9 | -94.8 | 0 | 0 | 0 | 110.8 | F576 L578 I597 R602 F618 F629 L632 | F576-F600 AromaticContact CD1-CE1 3.84Å; F576-F600 HydrophobicContact CD1-CE1 3.84Å; F576-F600 AromaticContact CE1-CE1 3.76Å; F576-F600 HydrophobicContact CE1-CE1 3.76Å; L578-F600 HydrophobicContact CD1-CD1 3.73Å; L578-F600 HydrophobicContact CD1-CE1 3.9Å; L578-F600 HydrophobicContact CD1-CG 4.34Å; L578-F600 HydrophobicContact CG-CD1 3.91Å; L578-F600 HydrophobicContact CG-CE1 4.14Å; I597-F600 WeakPolarHBondContact O-CB 3.41Å; I597-F600 PolarHBondContact O-N 2.64Å; F600-R602 HydrophobicContact CE1-CG 3.87Å; F600-R602 HydrophobicContact CE2-CG 4.35Å; F600-R602 HydrophobicContact CZ-CG 3.66Å; F600-F618 HydrophobicContact CE1-CE2 4.44Å; F600-F618 HydrophobicContact CE1-CZ 4.19Å; F600-F618 HydrophobicContact CZ-CE2 4.26Å; F600-F618 AromaticContact CZ-CZ 3.94Å; F600-F618 HydrophobicContact CZ-CZ 3.94Å; F600-F629 HydrophobicContact CE2-CD1 4.02Å; F600-F629 AromaticContact CE2-CE1 3.52Å; F600-F629 HydrophobicContact CE2-CE1 3.52Å; F600-F629 HydrophobicContact CE2-CZ 4.07Å; F600-F629 HydrophobicContact CZ-CD1 4.12Å; F600-F629 AromaticContact CZ-CE1 3.68Å; F600-F629 HydrophobicContact CZ-CE1 3.68Å; F600-F629 HydrophobicContact CZ-CE2 4.35Å; F600-F629 AromaticContact CZ-CZ 3.82Å; F600-F629 HydrophobicContact CZ-CZ 3.82Å; F600-L632 HydrophobicContact CB-CD2 4.09Å; F600-L632 HydrophobicContact CD2-CB 4.4Å; F600-L632 HydrophobicContact CD2-CD2 3.75Å; F600-L632 HydrophobicContact CE2-CD2 4.31Å; F600-L632 HydrophobicContact CG-CD2 3.88Å | ||
| 601 | I | 91.4 | Very high | 80.3 | Confident | 84 Ų | 84 | 60 Ų | 60 | 43% | 0.431 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 126.1 | 179.9 | -61 | 177.8 | 0 | 0 | 0 | 108.8 | I575 R577 N599 | I575-I601 HydrophobicContact CG2-CG2 3.5Å; R577-I601 HydrophobicContact CG-CG1 4.39Å; N599-I601 PolarHBondContact O-N 2.84Å |
| 602 | R | 93.5 | Very high | 82.1 | Confident | 57 Ų | 57 | 61.7 Ų | 61.7 | 22% | 0.215 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 141.4 | 170.6 | -59.3 | -62.4 | -61.3 | -165.6 | -1.9 | 109.2 | I575 F576 F600 V605 I620 E622 | I575-R602 CarbonylContact C-O 3.57Å; I575-R602 WeakPolarHBondContact CA-O 3.25Å; F576-R602 HydrophobicContact CB-CB 4.29Å; F576-R602 HydrophobicContact CD1-CB 4.46Å; F576-R602 HydrophobicContact CD1-CG 4.49Å; F576-R602 PolarHBondContact N-O 3.12Å; F576-R602 PolarHBondContact O-N 3.3Å; F600-R602 HydrophobicContact CE1-CG 3.87Å; F600-R602 HydrophobicContact CE2-CG 4.35Å; F600-R602 HydrophobicContact CZ-CG 3.66Å; R602-V605 HydrophobicContact CB-CG2 3.59Å; R602-I620 HydrophobicContact CB-CD1 4.07Å; R602-I620 HydrophobicContact CG-CD1 3.76Å; R602-E622 IonicContact CZ-OE2 2.67Å; R602-E622 IonicContact NE-OE2 3.38Å; R602-E622 PolarHBondContact NE-OE2 3.39Å; R602-E622 IonicContact NH2-OE1 2.74Å; R602-E622 PolarHBondContact NH2-OE1 2.96Å; R602-E622 IonicContact NH2-OE2 2.87Å; R602-E622 PolarHBondContact NH2-OE2 3.48Å |
| 603 | K | 91.1 | Very high | 83.4 | Confident | 136 Ų | 136 | 64.1 Ų | 64.1 | 59% | 0.591 | 31% | 0.31 | S | S | * | . | S | Bend | trans | -108.6 | 155.1 | -178.2 | -62.2 | -173.3 | 178.1 | -175.4 | 0 | 109.7 | G574 I575 V605 E622 | G574-K603 CarbonylContact O-C 3.58Å; I575-K603 HydrophobicContact CG1-CG 4.42Å; K603-V605 VanDerWaalsContact C-N 3.25Å; K603-V605 PolarHBondContact O-N 3.21Å; K603-E622 VanDerWaalsContact O-CD 3.32Å; K603-E622 VanDerWaalsContact O-CG 3.25Å; K603-E622 WeakPolarHBondContact O-CG 3.46Å |
| 604 | D | 88.9 | Confident | 84.8 | Confident | 45 Ų | 45 | 58.7 Ų | 58.7 | 24% | 0.241 | 29% | 0.288 | C | S | . | . | S | Bend | trans | 59.8 | 34 | 177.9 | -52.4 | -51.5 | 0 | 0 | 0 | 113.7 | F2 G574 E622 K623 | F2-D604 VanDerWaalsContact CZ-C 3.46Å; F2-D604 HydrophobicContact CZ-CB 3.98Å; F2-D604 WeakPolarHBondContact CZ-O 3.36Å; G574-D604 PolarHBondContact O-N 3.35Å; D604-E622 WeakPolarHBondContact O-CA 3.48Å; D604-K623 HydrophobicContact CB-CD 4.41Å; D604-K623 HydrophobicContact CB-CG 3.74Å; D604-K623 VanDerWaalsContact CG-CE 3.41Å; D604-K623 PolarHBondContact O-N 3.47Å; D604-K623 WeakPolarHBondContact OD2-CE 3.47Å; D604-K623 IonicContact OD2-NZ 3.23Å; D604-K623 PolarHBondContact OD2-NZ 3.01Å |
| 605 | V | 92.4 | Very high | 86 | Confident | 0 Ų | 0 | 59.1 Ų | 59.1 | 0% | 0 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 134 | 178.3 | 179.8 | 0 | 0 | 0 | 0 | 109.8 | I570 G574 F576 R602 K603 V608 I620 M621 E622 | I570-V605 HydrophobicContact CD1-CG1 4.05Å; I570-V605 HydrophobicContact CG1-CG1 4.4Å; I570-V605 WeakPolarHBondContact CG2-O 3.46Å; G574-V605 PolarHBondContact O-N 3.03Å; F576-V605 HydrophobicContact CB-CB 3.72Å; F576-V605 HydrophobicContact CB-CG1 3.87Å; F576-V605 HydrophobicContact CB-CG2 3.76Å; F576-V605 HydrophobicContact CG-CG1 4.24Å; R602-V605 HydrophobicContact CB-CG2 3.59Å; K603-V605 VanDerWaalsContact C-N 3.25Å; K603-V605 PolarHBondContact O-N 3.21Å; V605-V608 HydrophobicContact CG1-CG2 3.93Å; V605-I620 HydrophobicContact CG1-CB 4.14Å; V605-I620 HydrophobicContact CG2-CD1 4.05Å; V605-M621 VanDerWaalsContact CA-O 3.31Å; V605-M621 WeakPolarHBondContact CA-O 3.48Å; V605-E622 HydrophobicContact CG2-CB 4.3Å |
| 606 | W | 90.4 | Very high | 87.5 | Confident | 11 Ų | 11 | 52.1 Ų | 52.1 | 4% | 0.042 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | -13.1 | -175.8 | 59 | -94.7 | 0 | 0 | 0 | 114.8 | F2 R330 M621 K623 T642 Y643 | F2-W606 HydrophobicContact CB-CB 3.99Å; F2-W606 HydrophobicContact CD1-CB 3.57Å; F2-W606 AromaticContact CD1-CD1 3.67Å; F2-W606 AromaticContact CD1-CG 3.78Å; F2-W606 HydrophobicContact CD1-CG 3.78Å; F2-W606 HydrophobicContact CD2-CB 3.88Å; F2-W606 HydrophobicContact CE1-CB 3.96Å; F2-W606 AromaticContact CE1-CD1 3.58Å; F2-W606 HydrophobicContact CE1-CG 4.07Å; F2-W606 HydrophobicContact CE2-CB 4.27Å; F2-W606 HydrophobicContact CG-CB 3.53Å; F2-W606 HydrophobicContact CG-CG 4.23Å; F2-W606 HydrophobicContact CZ-CB 4.32Å; R330-W606 VanDerWaalsContact CZ-CZ2 3.5Å; R330-W606 VanDerWaalsContact NE-CZ2 3.35Å; W606-M621 HydrophobicContact CD2-CB 3.91Å; W606-M621 HydrophobicContact CE3-CB 4.35Å; W606-M621 HydrophobicContact CH2-CB 3.76Å; W606-M621 HydrophobicContact CH2-CE 4.12Å; W606-M621 HydrophobicContact CH2-CG 3.7Å; W606-M621 HydrophobicContact CZ2-CB 3.36Å; W606-M621 HydrophobicContact CZ2-CE 3.62Å; W606-M621 HydrophobicContact CZ2-CG 3.72Å; W606-M621 HydrophobicContact CZ3-CB 4.25Å; W606-M621 HydrophobicContact CZ3-CG 4.32Å; W606-M621 PolarHBondContact N-O 3.3Å; W606-K623 PolarHBondContact NE1-O 3.07Å; W606-T642 VanDerWaalsContact CH2-O 3.3Å; W606-T642 WeakPolarHBondContact CH2-O 3.35Å; W606-Y643 AromaticContact CZ3-CD1 3.84Å; W606-Y643 HydrophobicContact CZ3-CD1 3.84Å; W606-Y643 HydrophobicContact CZ3-CE1 4Å; W606-Y643 HydrophobicContact CZ3-CG 4.31Å |
| 607 | D | 92.4 | Very high | 88.9 | Confident | 11 Ų | 11 | 46.2 Ų | 46.2 | 6% | 0.059 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.8 | 148.3 | 176.4 | -164 | 16.4 | 0 | 0 | 0 | 111.1 | Y559 I620 M621 L644 | Y559-D607 PolarHBondContact OH-OD1 3.18Å; D607-I620 CarbonylContact O-C 3.57Å; D607-I620 WeakPolarHBondContact O-CA 3.36Å; D607-M621 HydrophobicContact CB-CB 3.99Å; D607-M621 HydrophobicContact CB-CG 4.01Å; D607-M621 PolarHBondContact O-N 3.32Å; D607-L644 PolarHBondContact OD2-N 2.71Å |
| 608 | V | 94.9 | Very high | 89.6 | Confident | 1 Ų | 1 | 45.6 Ų | 45.6 | 1% | 0.006 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147 | 137.6 | -175.7 | 177.9 | 0 | 0 | 0 | 0 | 108.9 | Y559 I570 F576 V605 F610 A619 I620 | Y559-V608 HydrophobicContact CD1-CB 4.38Å; Y559-V608 VanDerWaalsContact CD1-O 3.25Å; Y559-V608 WeakPolarHBondContact CD1-O 3.46Å; Y559-V608 HydrophobicContact CD2-CB 3.73Å; Y559-V608 HydrophobicContact CD2-CG1 4.3Å; Y559-V608 HydrophobicContact CD2-CG2 4.25Å; Y559-V608 HydrophobicContact CE1-CB 4.44Å; Y559-V608 WeakPolarHBondContact CE1-O 3.32Å; Y559-V608 HydrophobicContact CE2-CB 3.79Å; Y559-V608 HydrophobicContact CE2-CG2 4.13Å; Y559-V608 HydrophobicContact CG-CB 4.02Å; Y559-V608 HydrophobicContact CG-CG1 4.32Å; I570-V608 HydrophobicContact CD1-CG2 4.02Å; I570-V608 HydrophobicContact CG1-CG2 4.38Å; F576-V608 HydrophobicContact CD2-CG2 3.86Å; F576-V608 HydrophobicContact CE2-CB 4.4Å; F576-V608 HydrophobicContact CE2-CG1 4.1Å; F576-V608 HydrophobicContact CE2-CG2 3.62Å; F576-V608 HydrophobicContact CG-CG2 4.43Å; F576-V608 HydrophobicContact CZ-CG1 3.97Å; F576-V608 HydrophobicContact CZ-CG2 4.01Å; V605-V608 HydrophobicContact CG1-CG2 3.93Å; V608-F610 HydrophobicContact CG1-CE2 4.4Å; V608-A619 CarbonylContact C-O 3.11Å; V608-A619 WeakPolarHBondContact CA-O 3.34Å; V608-I620 HydrophobicContact CB-CG2 4.5Å; V608-I620 HydrophobicContact CG1-CG2 4.2Å; V608-I620 HydrophobicContact CG2-CB 4.26Å; V608-I620 HydrophobicContact CG2-CG2 3.87Å |
| 609 | K | 94.7 | Very high | 90.9 | Very high | 60 Ų | 60 | 38.8 Ų | 38.8 | 26% | 0.261 | 19% | 0.189 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 122.1 | 172.7 | -166.8 | 77.5 | -174.9 | -164.9 | 0 | 109.5 | F618 A619 L644 Y645 F647 | K609-F618 CarbonylContact O-C 3.54Å; K609-F618 WeakPolarHBondContact O-CA 3.01Å; K609-A619 PolarHBondContact N-O 3Å; K609-A619 PolarHBondContact O-N 3.39Å; K609-L644 HydrophobicContact CB-CB 3.98Å; K609-L644 HydrophobicContact CB-CD1 3.98Å; K609-Y645 WeakPolarHBondContact CE-O 3.22Å; K609-Y645 PolarHBondContact NZ-O 2.79Å; K609-F647 HydrophobicContact CB-CB 4.38Å; K609-F647 HydrophobicContact CG-CB 3.69Å |
| 610 | F | 94.3 | Very high | 91.6 | Very high | 14 Ų | 14 | 32.6 Ų | 32.6 | 6% | 0.061 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.1 | 148.4 | 168.3 | -73 | -81.7 | 0 | 0 | 0 | 110.2 | V560 N561 L578 V608 F618 | V560-F610 WeakPolarHBondContact O-CD2 3.19Å; N561-F610 HydrophobicContact CB-CB 4.23Å; N561-F610 HydrophobicContact CB-CD1 3.53Å; N561-F610 HydrophobicContact CB-CD2 4.32Å; N561-F610 HydrophobicContact CB-CE1 3.91Å; N561-F610 HydrophobicContact CB-CG 3.77Å; N561-F610 HydrophobicContact CB-CZ 4.44Å; L578-F610 HydrophobicContact CD2-CE1 4.42Å; L578-F610 HydrophobicContact CD2-CZ 3.98Å; V608-F610 HydrophobicContact CG1-CE2 4.4Å; F610-F618 HydrophobicContact CD1-CB 3.55Å; F610-F618 HydrophobicContact CD1-CG 4.3Å; F610-F618 HydrophobicContact CE1-CB 3.82Å; F610-F618 HydrophobicContact CE1-CD1 4.15Å; F610-F618 HydrophobicContact CE1-CG 4.08Å; F610-F618 HydrophobicContact CG-CB 4.17Å |
| 611 | E | 93.5 | Very high | 91.8 | Very high | 1 Ų | 1 | 31.5 Ų | 31.5 | 1% | 0.005 | 15% | 0.151 | C | C | . | . | trans | -69.4 | 136.7 | 172 | -171.7 | 172.7 | -144.8 | 0 | 0 | 110.4 | D613 N614 I617 F647 L650 | E611-D613 VanDerWaalsContact C-N 3.33Å; E611-D613 HydrophobicContact CG-CB 4.49Å; E611-N614 WeakPolarHBondContact OE2-CB 3.46Å; E611-I617 HydrophobicContact CB-CB 4.07Å; E611-I617 HydrophobicContact CB-CG2 4.23Å; E611-I617 PolarHBondContact N-O 3.43Å; E611-I617 WeakPolarHBondContact OE2-CB 3.37Å; E611-I617 WeakPolarHBondContact OE2-CD1 3.19Å; E611-F647 WeakPolarHBondContact CA-O 3.17Å; E611-F647 HydrophobicContact CB-CD1 3.97Å; E611-F647 HydrophobicContact CB-CD2 4.22Å; E611-F647 HydrophobicContact CB-CE1 4.12Å; E611-F647 HydrophobicContact CB-CE2 4.37Å; E611-F647 HydrophobicContact CB-CG 4.04Å; E611-F647 HydrophobicContact CB-CZ 4.32Å; E611-F647 HydrophobicContact CG-CD2 4.08Å; E611-F647 HydrophobicContact CG-CE2 4.24Å; E611-F647 HydrophobicContact CG-CG 4.34Å; E611-L650 VanDerWaalsContact OE1-CA 3.23Å; E611-L650 WeakPolarHBondContact OE1-CA 3.39Å; E611-L650 PolarHBondContact OE1-N 2.88Å | ||
| 612 | E | 88.9 | Confident | 91.9 | Very high | 80 Ų | 80 | 29 Ų | 29 | 37% | 0.374 | 14% | 0.138 | S | C | . | . | S | Bend | trans | -69.6 | -31.7 | -180 | -68.6 | -174.9 | -179.3 | 0 | 0 | 112.5 | C562 F647 K648 | C562-E612 WeakPolarHBondContact CB-O 3.34Å; C562-E612 PolarHBondContact SG-O 3.27Å; E612-F647 PolarHBondContact N-O 3.04Å; E612-K648 HydrophobicContact CB-CG 4.46Å; E612-K648 IonicContact OE2-NZ 2.92Å |
| 613 | D | 85.7 | Confident | 91.7 | Very high | 76 Ų | 76 | 29.9 Ų | 29.9 | 41% | 0.406 | 14% | 0.143 | S | C | . | . | S | Bend | trans | -92 | -24.2 | -172.9 | -55.9 | -49.5 | 0 | 0 | 0 | 113.1 | E611 K648 N649 | E611-D613 VanDerWaalsContact C-N 3.33Å; E611-D613 HydrophobicContact CG-CB 4.49Å; D613-K648 WeakPolarHBondContact OD2-CG 3.4Å; D613-N649 WeakPolarHBondContact OD2-CA 3.44Å; D613-N649 PolarHBondContact OD2-N 2.69Å |
| 614 | N | 87.3 | Confident | 91.6 | Very high | 43 Ų | 43 | 24.3 Ų | 24.3 | 23% | 0.23 | 12% | 0.121 | C | C | . | . | trans | -135.7 | 119.6 | -176 | -172.8 | -15.1 | 0 | 0 | 0 | 112.3 | E611 N616 I617 | E611-N614 WeakPolarHBondContact OE2-CB 3.46Å; N614-N616 PolarHBondContact O-N 3.31Å; N614-N616 VanDerWaalsContact O-N 3.11Å; N614-N616 WeakPolarHBondContact OD1-CB 3.24Å; N614-N616 PolarHBondContact OD1-N 3.2Å; N614-N616 PolarHBondContact OD1-ND2 3.46Å; N614-I617 HydrophobicContact CB-CD1 4.3Å; N614-I617 HydrophobicContact CB-CG1 4.36Å; N614-I617 WeakPolarHBondContact ND2-CD1 3.38Å; N614-I617 PolarHBondContact O-N 3.4Å | ||
| 615 | P | 87.6 | Confident | 91.7 | Very high | 23 Ų | 23 | 28 Ų | 28 | 15% | 0.149 | 13% | 0.131 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.1 | -10.8 | -176.1 | 28.8 | -36.7 | 0 | 0 | 0 | 114.7 | N561 C562 N563 | N561-P615 WeakPolarHBondContact ND2-CB 3.35Å; N561-P615 PolarHBondContact ND2-O 3.03Å; N561-P615 VanDerWaalsContact ND2-O 3.13Å; C562-P615 VanDerWaalsContact SG-N 3.42Å; N563-P615 HydrophobicContact CB-CB 4.45Å; N563-P615 VanDerWaalsContact CG-CB 3.5Å; N563-P615 WeakPolarHBondContact ND2-CB 3.28Å; N563-P615 WeakPolarHBondContact OD1-CB 3.48Å |
| 616 | N | 88.3 | Confident | 91.7 | Very high | 19 Ų | 19 | 28 Ų | 28 | 10% | 0.102 | 13% | 0.131 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -93.8 | -10 | -177.1 | -64.1 | -67.6 | 0 | 0 | 0 | 113.8 | V592 K593 N614 G631 | V592-N616 VanDerWaalsContact CA-OD1 3.28Å; V592-N616 WeakPolarHBondContact CA-OD1 3.41Å; V592-N616 WeakPolarHBondContact CG1-OD1 3.38Å; K593-N616 PolarHBondContact N-OD1 2.78Å; N614-N616 PolarHBondContact O-N 3.31Å; N614-N616 VanDerWaalsContact O-N 3.11Å; N614-N616 WeakPolarHBondContact OD1-CB 3.24Å; N614-N616 PolarHBondContact OD1-N 3.2Å; N614-N616 PolarHBondContact OD1-ND2 3.46Å; N616-G631 PolarHBondContact O-N 3.11Å |
| 617 | I | 92.2 | Very high | 92 | Very high | 1 Ų | 1 | 29 Ų | 29 | 1% | 0.005 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 134.9 | -172.2 | -60.5 | -178.7 | 0 | 0 | 0 | 109.4 | E611 N614 F629 D630 F647 L650 I678 | E611-I617 HydrophobicContact CB-CB 4.07Å; E611-I617 HydrophobicContact CB-CG2 4.23Å; E611-I617 PolarHBondContact N-O 3.43Å; E611-I617 WeakPolarHBondContact OE2-CB 3.37Å; E611-I617 WeakPolarHBondContact OE2-CD1 3.19Å; N614-I617 HydrophobicContact CB-CD1 4.3Å; N614-I617 HydrophobicContact CB-CG1 4.36Å; N614-I617 WeakPolarHBondContact ND2-CD1 3.38Å; N614-I617 PolarHBondContact O-N 3.4Å; I617-F629 VanDerWaalsContact CA-O 3.29Å; I617-F629 WeakPolarHBondContact CA-O 3.47Å; I617-F629 WeakPolarHBondContact CG2-O 3.38Å; I617-D630 HydrophobicContact CG1-CB 4.32Å; I617-F647 HydrophobicContact CG2-CE1 3.7Å; I617-F647 HydrophobicContact CG2-CZ 3.5Å; I617-L650 HydrophobicContact CD1-CD2 4.5Å; I617-I678 HydrophobicContact CG2-CD1 3.9Å |
| 618 | F | 94.7 | Very high | 92.1 | Very high | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.9 | 155.6 | 177.4 | 64.1 | -85 | 0 | 0 | 0 | 111.8 | F576 L578 F594 F600 K609 F610 I620 F629 G631 | F576-F618 HydrophobicContact CE1-CD2 4.45Å; F576-F618 AromaticContact CE1-CE2 3.88Å; F576-F618 HydrophobicContact CE1-CE2 3.88Å; F576-F618 HydrophobicContact CZ-CE2 4.42Å; L578-F618 HydrophobicContact CD1-CE1 3.87Å; L578-F618 HydrophobicContact CD1-CZ 3.72Å; F594-F618 HydrophobicContact CE1-CD1 4.46Å; F594-F618 AromaticContact CE1-CE1 3.93Å; F594-F618 HydrophobicContact CE1-CE1 3.93Å; F594-F618 HydrophobicContact CZ-CD1 4.37Å; F594-F618 HydrophobicContact CZ-CE1 4.21Å; F600-F618 HydrophobicContact CE1-CE2 4.44Å; F600-F618 HydrophobicContact CE1-CZ 4.19Å; F600-F618 HydrophobicContact CZ-CE2 4.26Å; F600-F618 AromaticContact CZ-CZ 3.94Å; F600-F618 HydrophobicContact CZ-CZ 3.94Å; K609-F618 CarbonylContact O-C 3.54Å; K609-F618 WeakPolarHBondContact O-CA 3.01Å; F610-F618 HydrophobicContact CD1-CB 3.55Å; F610-F618 HydrophobicContact CD1-CG 4.3Å; F610-F618 HydrophobicContact CE1-CB 3.82Å; F610-F618 HydrophobicContact CE1-CD1 4.15Å; F610-F618 HydrophobicContact CE1-CG 4.08Å; F610-F618 HydrophobicContact CG-CB 4.17Å; F618-I620 HydrophobicContact CD2-CG2 3.63Å; F618-I620 HydrophobicContact CE2-CG2 3.71Å; F618-F629 HydrophobicContact CD1-CB 3.95Å; F618-F629 HydrophobicContact CD2-CB 4.17Å; F618-F629 HydrophobicContact CD2-CD2 4.06Å; F618-F629 HydrophobicContact CD2-CG 4.4Å; F618-F629 HydrophobicContact CE1-CB 3.53Å; F618-F629 HydrophobicContact CE1-CG 4.16Å; F618-F629 HydrophobicContact CE2-CB 3.76Å; F618-F629 AromaticContact CE2-CD2 3.44Å; F618-F629 HydrophobicContact CE2-CD2 3.44Å; F618-F629 VanDerWaalsContact CE2-CD2 3.44Å; F618-F629 HydrophobicContact CE2-CE2 4.16Å; F618-F629 AromaticContact CE2-CG 3.66Å; F618-F629 HydrophobicContact CE2-CG 3.66Å; F618-F629 HydrophobicContact CG-CB 4.25Å; F618-F629 HydrophobicContact CZ-CB 3.41Å; F618-F629 VanDerWaalsContact CZ-CB 3.41Å; F618-F629 HydrophobicContact CZ-CD1 4.09Å; F618-F629 AromaticContact CZ-CD2 3.83Å; F618-F629 HydrophobicContact CZ-CD2 3.83Å; F618-F629 AromaticContact CZ-CG 3.51Å; F618-F629 HydrophobicContact CZ-CG 3.51Å; F618-F629 PolarHBondContact N-O 2.99Å; F618-F629 VanDerWaalsContact N-O 3.1Å; F618-F629 PolarHBondContact O-N 3.41Å; F618-G631 VanDerWaalsContact CE1-O 3.3Å; F618-G631 WeakPolarHBondContact CE1-O 3.31Å |
| 619 | A | 96.4 | Very high | 92 | Very high | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 141 | 174 | 0 | 0 | 0 | 0 | 0 | 109.5 | V608 K609 Y627 I628 L644 F647 V652 | V608-A619 CarbonylContact C-O 3.11Å; V608-A619 WeakPolarHBondContact CA-O 3.34Å; K609-A619 PolarHBondContact N-O 3Å; K609-A619 PolarHBondContact O-N 3.39Å; A619-Y627 CarbonylContact C-O 3.6Å; A619-Y627 VanDerWaalsContact CA-O 3.32Å; A619-Y627 WeakPolarHBondContact CA-O 3.1Å; A619-I628 HydrophobicContact CB-CG1 4.32Å; A619-L644 HydrophobicContact CB-CD1 4.04Å; A619-F647 HydrophobicContact CB-CD1 4.1Å; A619-F647 HydrophobicContact CB-CE1 4Å; A619-V652 HydrophobicContact CB-CG1 4.09Å; A619-V652 HydrophobicContact CB-CG2 3.9Å |
| 620 | I | 96 | Very high | 91.8 | Very high | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 150.5 | 173.6 | 73.7 | 179.3 | 0 | 0 | 0 | 110.1 | F576 R602 V605 D607 V608 F618 M626 Y627 F629 | F576-I620 HydrophobicContact CD1-CG2 4.2Å; F576-I620 HydrophobicContact CE1-CG2 3.85Å; F576-I620 HydrophobicContact CZ-CG2 4.34Å; R602-I620 HydrophobicContact CB-CD1 4.07Å; R602-I620 HydrophobicContact CG-CD1 3.76Å; V605-I620 HydrophobicContact CG1-CB 4.14Å; V605-I620 HydrophobicContact CG2-CD1 4.05Å; D607-I620 CarbonylContact O-C 3.57Å; D607-I620 WeakPolarHBondContact O-CA 3.36Å; V608-I620 HydrophobicContact CB-CG2 4.5Å; V608-I620 HydrophobicContact CG1-CG2 4.2Å; V608-I620 HydrophobicContact CG2-CB 4.26Å; V608-I620 HydrophobicContact CG2-CG2 3.87Å; F618-I620 HydrophobicContact CD2-CG2 3.63Å; F618-I620 HydrophobicContact CE2-CG2 3.71Å; I620-M626 WeakPolarHBondContact O-CA 3.43Å; I620-Y627 PolarHBondContact N-O 3.05Å; I620-Y627 PolarHBondContact O-N 2.9Å; I620-F629 HydrophobicContact CD1-CD2 4.49Å; I620-F629 HydrophobicContact CD1-CE2 3.52Å; I620-F629 HydrophobicContact CD1-CZ 4.12Å; I620-F629 HydrophobicContact CG1-CD2 4.47Å; I620-F629 HydrophobicContact CG1-CE2 3.8Å |
| 621 | M | 94.2 | Very high | 91.4 | Very high | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 114.5 | 169.3 | -64.2 | -56.7 | -62 | 0 | 0 | 110 | V605 W606 D607 M626 T640 L644 | V605-M621 VanDerWaalsContact CA-O 3.31Å; V605-M621 WeakPolarHBondContact CA-O 3.48Å; W606-M621 HydrophobicContact CD2-CB 3.91Å; W606-M621 HydrophobicContact CE3-CB 4.35Å; W606-M621 HydrophobicContact CH2-CB 3.76Å; W606-M621 HydrophobicContact CH2-CE 4.12Å; W606-M621 HydrophobicContact CH2-CG 3.7Å; W606-M621 HydrophobicContact CZ2-CB 3.36Å; W606-M621 HydrophobicContact CZ2-CE 3.62Å; W606-M621 HydrophobicContact CZ2-CG 3.72Å; W606-M621 HydrophobicContact CZ3-CB 4.25Å; W606-M621 HydrophobicContact CZ3-CG 4.32Å; W606-M621 PolarHBondContact N-O 3.3Å; D607-M621 HydrophobicContact CB-CB 3.99Å; D607-M621 HydrophobicContact CB-CG 4.01Å; D607-M621 PolarHBondContact O-N 3.32Å; M621-M626 HydrophobicContact CE-CB 4.27Å; M621-M626 HydrophobicContact SD-CB 3.54Å; M621-M626 VanDerWaalsContact SD-CB 3.54Å; M621-M626 HydrophobicContact SD-CG 3.73Å; M621-M626 HydrophobicContact SD-SD 4.32Å; M621-T640 HydrophobicContact CE-CG2 3.99Å; M621-T640 WeakPolarHBondContact CE-O 3.33Å; M621-L644 HydrophobicContact CG-CD1 3.9Å; M621-L644 HydrophobicContact CG-CD2 4.29Å; M621-L644 HydrophobicContact CG-CG 3.87Å; M621-L644 HydrophobicContact SD-CD1 4.43Å; M621-L644 HydrophobicContact SD-CD2 4.06Å; M621-L644 HydrophobicContact SD-CG 4.3Å |
| 622 | E | 92.6 | Very high | 91.2 | Very high | 32 Ų | 32 | 30.2 Ų | 30.2 | 15% | 0.15 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 115.5 | 178.3 | 178.8 | 174.5 | 140.1 | 0 | 0 | 109.1 | R602 K603 D604 V605 T624 R625 Y627 | R602-E622 IonicContact CZ-OE2 2.67Å; R602-E622 IonicContact NE-OE2 3.38Å; R602-E622 PolarHBondContact NE-OE2 3.39Å; R602-E622 IonicContact NH2-OE1 2.74Å; R602-E622 PolarHBondContact NH2-OE1 2.96Å; R602-E622 IonicContact NH2-OE2 2.87Å; R602-E622 PolarHBondContact NH2-OE2 3.48Å; K603-E622 VanDerWaalsContact O-CD 3.32Å; K603-E622 VanDerWaalsContact O-CG 3.25Å; K603-E622 WeakPolarHBondContact O-CG 3.46Å; D604-E622 WeakPolarHBondContact O-CA 3.48Å; V605-E622 HydrophobicContact CG2-CB 4.3Å; E622-T624 PolarHBondContact O-N 3.21Å; E622-R625 PolarHBondContact N-O 3.27Å; E622-R625 PolarHBondContact O-N 3.2Å; E622-R625 VanDerWaalsContact O-O 3.14Å; E622-Y627 HydrophobicContact CB-CD2 3.99Å; E622-Y627 HydrophobicContact CB-CE2 3.93Å; E622-Y627 HydrophobicContact CG-CE2 4.4Å |
| 623 | K | 88.9 | Confident | 91.2 | Very high | 74 Ų | 74 | 33.8 Ų | 33.8 | 32% | 0.322 | 16% | 0.162 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 51.6 | -108.1 | -171.8 | -56.4 | -179.2 | -177.2 | -175.7 | 0 | 111.6 | Y4 D604 W606 | Y4-K623 HydrophobicContact CD2-CB 3.91Å; Y4-K623 HydrophobicContact CD2-CD 3.96Å; Y4-K623 HydrophobicContact CD2-CG 3.66Å; Y4-K623 HydrophobicContact CE2-CB 3.67Å; Y4-K623 HydrophobicContact CE2-CD 4.34Å; Y4-K623 HydrophobicContact CE2-CG 3.96Å; Y4-K623 HydrophobicContact CG-CG 4.11Å; D604-K623 HydrophobicContact CB-CD 4.41Å; D604-K623 HydrophobicContact CB-CG 3.74Å; D604-K623 VanDerWaalsContact CG-CE 3.41Å; D604-K623 PolarHBondContact O-N 3.47Å; D604-K623 WeakPolarHBondContact OD2-CE 3.47Å; D604-K623 IonicContact OD2-NZ 3.23Å; D604-K623 PolarHBondContact OD2-NZ 3.01Å; W606-K623 PolarHBondContact NE1-O 3.07Å |
| 624 | T | 88.3 | Confident | 91.5 | Very high | 20 Ų | 20 | 32.4 Ų | 32.4 | 12% | 0.123 | 16% | 0.162 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -115.2 | 27.7 | 177.9 | 66 | 0 | 0 | 0 | 0 | 112 | Y4 L54 E622 H639 T640 | Y4-T624 WeakPolarHBondContact OH-CG2 3.45Å; L54-T624 WeakPolarHBondContact O-CG2 3.32Å; E622-T624 PolarHBondContact O-N 3.21Å; T624-H639 PolarHBondContact O-ND1 2.87Å; T624-H639 PolarHBondContact OG1-CE1 2.94Å; T624-T640 CarbonylContact C-O 3.59Å; T624-T640 WeakPolarHBondContact CA-O 3.24Å; T624-T640 CarbonylContact O-C 3.57Å; T624-T640 PolarHBondContact O-N 2.77Å |
| 625 | R | 91.2 | Very high | 91.7 | Very high | 121 Ų | 121 | 31.5 Ų | 31.5 | 46% | 0.457 | 16% | 0.156 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 135.1 | -177.5 | -66.2 | 179.1 | -179.8 | 171 | -0.8 | 110.5 | E622 Y627 A637 I638 T640 | E622-R625 PolarHBondContact N-O 3.27Å; E622-R625 PolarHBondContact O-N 3.2Å; E622-R625 VanDerWaalsContact O-O 3.14Å; R625-Y627 HydrophobicContact CB-CD2 4.34Å; R625-Y627 HydrophobicContact CB-CE2 3.77Å; R625-A637 HydrophobicContact CB-CB 4.33Å; R625-I638 CarbonylContact C-O 3.54Å; R625-I638 VanDerWaalsContact CA-O 3.29Å; R625-I638 WeakPolarHBondContact CA-O 3.42Å; R625-T640 PolarHBondContact N-O 3Å |
| 626 | M | 94 | Very high | 91.9 | Very high | 2 Ų | 2 | 34.8 Ų | 34.8 | 1% | 0.01 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 130 | 168.7 | -173.2 | 172.6 | 63.7 | 0 | 0 | 109.4 | I620 M621 I628 A637 I638 T640 L644 V652 T676 | I620-M626 WeakPolarHBondContact O-CA 3.43Å; M621-M626 HydrophobicContact CE-CB 4.27Å; M621-M626 HydrophobicContact SD-CB 3.54Å; M621-M626 VanDerWaalsContact SD-CB 3.54Å; M621-M626 HydrophobicContact SD-CG 3.73Å; M621-M626 HydrophobicContact SD-SD 4.32Å; M626-I628 HydrophobicContact CE-CD1 4.28Å; M626-A637 WeakPolarHBondContact O-CA 3.34Å; M626-I638 HydrophobicContact CB-CB 4.46Å; M626-I638 HydrophobicContact CE-CB 4.28Å; M626-I638 HydrophobicContact CE-CD1 3.96Å; M626-I638 HydrophobicContact CE-CG2 4.46Å; M626-I638 PolarHBondContact N-O 3.12Å; M626-I638 PolarHBondContact O-N 3.03Å; M626-T640 HydrophobicContact CB-CG2 3.68Å; M626-L644 HydrophobicContact SD-CD2 3.92Å; M626-V652 HydrophobicContact SD-CB 4.22Å; M626-V652 HydrophobicContact SD-CG1 3.68Å; M626-T676 HydrophobicContact CE-CG2 3.55Å |
| 627 | Y | 95.3 | Very high | 92 | Very high | 32 Ų | 32 | 35.9 Ų | 35.9 | 13% | 0.125 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 129.8 | 170.7 | -68.7 | -96.5 | 0 | 0 | 0 | 108.5 | A619 I620 E622 R625 F629 A634 A637 | A619-Y627 CarbonylContact C-O 3.6Å; A619-Y627 VanDerWaalsContact CA-O 3.32Å; A619-Y627 WeakPolarHBondContact CA-O 3.1Å; I620-Y627 PolarHBondContact N-O 3.05Å; I620-Y627 PolarHBondContact O-N 2.9Å; E622-Y627 HydrophobicContact CB-CD2 3.99Å; E622-Y627 HydrophobicContact CB-CE2 3.93Å; E622-Y627 HydrophobicContact CG-CE2 4.4Å; R625-Y627 HydrophobicContact CB-CD2 4.34Å; R625-Y627 HydrophobicContact CB-CE2 3.77Å; Y627-F629 HydrophobicContact CG-CE2 4.48Å; Y627-A634 HydrophobicContact CD1-CB 4.48Å; Y627-A637 HydrophobicContact CD1-CB 3.94Å; Y627-A637 HydrophobicContact CE1-CB 3.47Å; Y627-A637 VanDerWaalsContact CE1-CB 3.47Å; Y627-A637 HydrophobicContact CE2-CB 4.11Å; Y627-A637 HydrophobicContact CG-CB 4.45Å |
| 628 | I | 95.2 | Very high | 91.9 | Very high | 3 Ų | 3 | 37.8 Ų | 37.8 | 2% | 0.015 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 132.9 | 174.3 | -59.2 | 173.6 | 0 | 0 | 0 | 107.2 | A619 M626 E635 F647 V652 T676 I678 | A619-I628 HydrophobicContact CB-CG1 4.32Å; M626-I628 HydrophobicContact CE-CD1 4.28Å; I628-E635 HydrophobicContact CB-CB 4.32Å; I628-E635 HydrophobicContact CB-CG 4.33Å; I628-E635 PolarHBondContact O-N 3.48Å; I628-F647 HydrophobicContact CG2-CZ 4.22Å; I628-V652 HydrophobicContact CD1-CG2 3.78Å; I628-V652 HydrophobicContact CG1-CG2 4.08Å; I628-T676 HydrophobicContact CD1-CG2 4.37Å; I628-I678 HydrophobicContact CG2-CG1 4.18Å |
| 629 | F | 93.2 | Very high | 91.6 | Very high | 3 Ų | 3 | 39.4 Ų | 39.4 | 1% | 0.013 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 134.5 | -178.3 | -71 | -94.2 | 0 | 0 | 0 | 110.4 | F600 I617 F618 I620 Y627 Q633 A634 | F600-F629 HydrophobicContact CE2-CD1 4.02Å; F600-F629 AromaticContact CE2-CE1 3.52Å; F600-F629 HydrophobicContact CE2-CE1 3.52Å; F600-F629 HydrophobicContact CE2-CZ 4.07Å; F600-F629 HydrophobicContact CZ-CD1 4.12Å; F600-F629 AromaticContact CZ-CE1 3.68Å; F600-F629 HydrophobicContact CZ-CE1 3.68Å; F600-F629 HydrophobicContact CZ-CE2 4.35Å; F600-F629 AromaticContact CZ-CZ 3.82Å; F600-F629 HydrophobicContact CZ-CZ 3.82Å; I617-F629 VanDerWaalsContact CA-O 3.29Å; I617-F629 WeakPolarHBondContact CA-O 3.47Å; I617-F629 WeakPolarHBondContact CG2-O 3.38Å; F618-F629 HydrophobicContact CD1-CB 3.95Å; F618-F629 HydrophobicContact CD2-CB 4.17Å; F618-F629 HydrophobicContact CD2-CD2 4.06Å; F618-F629 HydrophobicContact CD2-CG 4.4Å; F618-F629 HydrophobicContact CE1-CB 3.53Å; F618-F629 HydrophobicContact CE1-CG 4.16Å; F618-F629 HydrophobicContact CE2-CB 3.76Å; F618-F629 AromaticContact CE2-CD2 3.44Å; F618-F629 HydrophobicContact CE2-CD2 3.44Å; F618-F629 VanDerWaalsContact CE2-CD2 3.44Å; F618-F629 HydrophobicContact CE2-CE2 4.16Å; F618-F629 AromaticContact CE2-CG 3.66Å; F618-F629 HydrophobicContact CE2-CG 3.66Å; F618-F629 HydrophobicContact CG-CB 4.25Å; F618-F629 HydrophobicContact CZ-CB 3.41Å; F618-F629 VanDerWaalsContact CZ-CB 3.41Å; F618-F629 HydrophobicContact CZ-CD1 4.09Å; F618-F629 AromaticContact CZ-CD2 3.83Å; F618-F629 HydrophobicContact CZ-CD2 3.83Å; F618-F629 AromaticContact CZ-CG 3.51Å; F618-F629 HydrophobicContact CZ-CG 3.51Å; F618-F629 PolarHBondContact N-O 2.99Å; F618-F629 VanDerWaalsContact N-O 3.1Å; F618-F629 PolarHBondContact O-N 3.41Å; I620-F629 HydrophobicContact CD1-CD2 4.49Å; I620-F629 HydrophobicContact CD1-CE2 3.52Å; I620-F629 HydrophobicContact CD1-CZ 4.12Å; I620-F629 HydrophobicContact CG1-CD2 4.47Å; I620-F629 HydrophobicContact CG1-CE2 3.8Å; Y627-F629 HydrophobicContact CG-CE2 4.48Å; F629-Q633 WeakPolarHBondContact CA-O 3.36Å; F629-A634 HydrophobicContact CD1-CB 3.95Å; F629-A634 HydrophobicContact CE1-CB 3.49Å; F629-A634 VanDerWaalsContact CE1-CB 3.49Å; F629-A634 HydrophobicContact CZ-CB 3.85Å |
| 630 | D | 89.7 | Confident | 91.2 | Very high | 51 Ų | 51 | 39.9 Ų | 39.9 | 27% | 0.273 | 21% | 0.209 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 106.1 | 163.1 | -173.4 | -3 | 0 | 0 | 0 | 107.3 | I617 L632 Q633 K680 | I617-D630 HydrophobicContact CG1-CB 4.32Å; D630-L632 PolarHBondContact O-N 3.19Å; D630-Q633 PolarHBondContact N-O 3.15Å; D630-Q633 VanDerWaalsContact N-O 3.1Å; D630-Q633 PolarHBondContact O-N 3.29Å; D630-K680 WeakPolarHBondContact OD2-CE 3.36Å; D630-K680 IonicContact OD2-NZ 3.94Å; D630-K680 PolarHBondContact OD2-NZ 3.36Å |
| 631 | G | 87 | Confident | 90.8 | Very high | 4 Ų | 4 | 40 Ų | 40 | 4% | 0.041 | 21% | 0.21 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 64.7 | -127.2 | -161.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | F594 N616 F618 | F594-G631 WeakPolarHBondContact CE1-O 3.44Å; N616-G631 PolarHBondContact O-N 3.11Å; F618-G631 VanDerWaalsContact CE1-O 3.3Å; F618-G631 WeakPolarHBondContact CE1-O 3.31Å |
| 632 | L | 87.9 | Confident | 90.6 | Very high | 51 Ų | 51 | 40 Ų | 40 | 27% | 0.267 | 21% | 0.21 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -98.5 | 2.8 | 174.8 | -57.1 | -176.4 | 0 | 0 | 0 | 113.1 | L578 F594 Q595 F600 D630 | L578-L632 HydrophobicContact CD1-CD2 3.9Å; F594-L632 HydrophobicContact CD1-CD2 3.64Å; F594-L632 HydrophobicContact CD1-CG 4.07Å; F594-L632 HydrophobicContact CE1-CD2 4.3Å; F594-L632 HydrophobicContact CG-CD2 4.38Å; Q595-L632 WeakPolarHBondContact O-CD1 3.27Å; F600-L632 HydrophobicContact CB-CD2 4.09Å; F600-L632 HydrophobicContact CD2-CB 4.4Å; F600-L632 HydrophobicContact CD2-CD2 3.75Å; F600-L632 HydrophobicContact CE2-CD2 4.31Å; F600-L632 HydrophobicContact CG-CD2 3.88Å; D630-L632 PolarHBondContact O-N 3.19Å |
| 633 | Q | 89.3 | Confident | 90.6 | Very high | 155 Ų | 155 | 39 Ų | 39 | 72% | 0.724 | 21% | 0.205 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -87.8 | 117.9 | -178.7 | -171.8 | 173.6 | 12.5 | 0 | 0 | 110.7 | F629 D630 | F629-Q633 WeakPolarHBondContact CA-O 3.36Å; D630-Q633 PolarHBondContact N-O 3.15Å; D630-Q633 VanDerWaalsContact N-O 3.1Å; D630-Q633 PolarHBondContact O-N 3.29Å |
| 634 | A | 91.4 | Very high | 90.8 | Very high | 47 Ų | 47 | 35.8 Ų | 35.8 | 39% | 0.388 | 19% | 0.191 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.5 | 138.2 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | Y627 F629 | Y627-A634 HydrophobicContact CD1-CB 4.48Å; F629-A634 HydrophobicContact CD1-CB 3.95Å; F629-A634 HydrophobicContact CE1-CB 3.49Å; F629-A634 VanDerWaalsContact CE1-CB 3.49Å; F629-A634 HydrophobicContact CZ-CB 3.85Å |
| 635 | E | 92 | Very high | 91 | Very high | 24 Ų | 24 | 35.1 Ų | 35.1 | 11% | 0.112 | 19% | 0.187 | C | C | . | . | P | Polyproline II helix | trans | -73.4 | 163.1 | 162.5 | -68.4 | -164.5 | 179.4 | 0 | 0 | 112.2 | I628 A637 I678 K679 R682 | I628-E635 HydrophobicContact CB-CB 4.32Å; I628-E635 HydrophobicContact CB-CG 4.33Å; I628-E635 PolarHBondContact O-N 3.48Å; E635-A637 PolarHBondContact O-N 3.4Å; E635-I678 WeakPolarHBondContact OE1-CG2 3.23Å; E635-K679 VanDerWaalsContact CD-N 3.31Å; E635-K679 HydrophobicContact CG-CB 4.14Å; E635-K679 WeakPolarHBondContact OE1-CA 3.22Å; E635-K679 WeakPolarHBondContact OE1-CB 3.42Å; E635-K679 PolarHBondContact OE1-N 2.85Å; E635-K679 WeakPolarHBondContact OE2-CB 3.47Å; E635-K679 PolarHBondContact OE2-N 3.39Å; E635-R682 IonicContact OE2-NH2 3.33Å; E635-R682 PolarHBondContact OE2-NH2 3.17Å |
| 636 | P | 91.3 | Very high | 91.1 | Very high | 92 Ų | 92 | 30.4 Ų | 30.4 | 60% | 0.597 | 17% | 0.17 | S | C | * | . | P | Polyproline II helix | trans | -52.8 | 128.4 | 169 | -24.9 | 34.3 | 0 | 0 | 0 | 111.3 | ||
| 637 | A | 91.8 | Very high | 91.1 | Very high | 42 Ų | 42 | 30.3 Ų | 30.3 | 35% | 0.347 | 17% | 0.169 | S | C | . | . | P | Polyproline II helix | trans | -61.8 | 141.5 | -176.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | R625 M626 Y627 E635 | R625-A637 HydrophobicContact CB-CB 4.33Å; M626-A637 WeakPolarHBondContact O-CA 3.34Å; Y627-A637 HydrophobicContact CD1-CB 3.94Å; Y627-A637 HydrophobicContact CE1-CB 3.47Å; Y627-A637 VanDerWaalsContact CE1-CB 3.47Å; Y627-A637 HydrophobicContact CE2-CB 4.11Å; Y627-A637 HydrophobicContact CG-CB 4.45Å; E635-A637 PolarHBondContact O-N 3.4Å |
| 638 | I | 90.2 | Very high | 90.9 | Very high | 40 Ų | 40 | 32.3 Ų | 32.3 | 21% | 0.205 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 124.2 | 178.8 | -62.4 | 169.2 | 0 | 0 | 0 | 108.1 | R625 M626 T640 T676 | R625-I638 CarbonylContact C-O 3.54Å; R625-I638 VanDerWaalsContact CA-O 3.29Å; R625-I638 WeakPolarHBondContact CA-O 3.42Å; M626-I638 HydrophobicContact CB-CB 4.46Å; M626-I638 HydrophobicContact CE-CB 4.28Å; M626-I638 HydrophobicContact CE-CD1 3.96Å; M626-I638 HydrophobicContact CE-CG2 4.46Å; M626-I638 PolarHBondContact N-O 3.12Å; M626-I638 PolarHBondContact O-N 3.03Å; I638-T640 HydrophobicContact CG2-CG2 4.42Å; I638-T640 PolarHBondContact O-N 2.83Å; I638-T676 HydrophobicContact CD1-CG2 3.32Å |
| 639 | H | 88.4 | Confident | 90.5 | Very high | 34 Ų | 34 | 35.1 Ų | 35.1 | 16% | 0.157 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.3 | 109.7 | -177.3 | -160.4 | 70.8 | 0 | 0 | 0 | 109.9 | H51 A55 T624 | H51-H639 AromaticContact CD2-CD2 3.97Å; H51-H639 PolarHBondContact CE1-O 2.87Å; H51-H639 PolarHBondContact ND1-O 3.25Å; A55-H639 PolarHBondContact O-CD2 2.67Å; A55-H639 PolarHBondContact O-NE2 3.1Å; T624-H639 PolarHBondContact O-ND1 2.87Å; T624-H639 PolarHBondContact OG1-CE1 2.94Å |
| 640 | T | 87.3 | Confident | 90.3 | Very high | 10 Ų | 10 | 35.3 Ų | 35.3 | 6% | 0.061 | 20% | 0.195 | C | C | . | . | trans | -166.6 | 153.7 | -176.9 | -176.9 | 0 | 0 | 0 | 0 | 110.9 | M621 T624 R625 M626 I638 T642 L674 | M621-T640 HydrophobicContact CE-CG2 3.99Å; M621-T640 WeakPolarHBondContact CE-O 3.33Å; T624-T640 CarbonylContact C-O 3.59Å; T624-T640 WeakPolarHBondContact CA-O 3.24Å; T624-T640 CarbonylContact O-C 3.57Å; T624-T640 PolarHBondContact O-N 2.77Å; R625-T640 PolarHBondContact N-O 3Å; M626-T640 HydrophobicContact CB-CG2 3.68Å; I638-T640 HydrophobicContact CG2-CG2 4.42Å; I638-T640 PolarHBondContact O-N 2.83Å; T640-T642 HydrophobicContact CG2-CG2 4.12Å; T640-T642 PolarHBondContact OG1-N 2.87Å; T640-L674 HydrophobicContact CG2-CD2 3.93Å; T640-L674 WeakPolarHBondContact OG1-CD2 3.1Å | ||
| 641 | S | 86.7 | Confident | 90.5 | Very high | 3 Ų | 3 | 34.7 Ų | 34.7 | 2% | 0.021 | 19% | 0.19 | C | C | . | . | trans | -120.9 | 39.7 | 174.3 | 58.9 | 0 | 0 | 0 | 0 | 110.6 | R330 | R330-S641 PolarHBondContact NH1-O 3.17Å; R330-S641 PolarHBondContact NH2-O 2.9Å | ||
| 642 | T | 90.7 | Very high | 90.8 | Very high | 1 Ų | 1 | 34.6 Ų | 34.6 | 1% | 0.006 | 19% | 0.189 | C | C | . | . | P | Polyproline II helix | trans | -83 | 139.6 | -178.3 | -157.8 | 0 | 0 | 0 | 0 | 111.7 | W606 T640 L644 G654 V655 L674 | W606-T642 VanDerWaalsContact CH2-O 3.3Å; W606-T642 WeakPolarHBondContact CH2-O 3.35Å; T640-T642 HydrophobicContact CG2-CG2 4.12Å; T640-T642 PolarHBondContact OG1-N 2.87Å; T642-L644 HydrophobicContact CG2-CD2 4.03Å; T642-G654 VanDerWaalsContact OG1-CA 3.31Å; T642-G654 WeakPolarHBondContact OG1-CA 3.48Å; T642-V655 VanDerWaalsContact OG1-C 3.25Å; T642-V655 WeakPolarHBondContact OG1-CA 3.4Å; T642-V655 PolarHBondContact OG1-N 2.77Å; T642-V655 PolarHBondContact OG1-O 2.8Å; T642-L674 HydrophobicContact CG2-CD2 3.93Å |
| 643 | Y | 92.2 | Very high | 91.1 | Very high | 9 Ų | 9 | 33.8 Ų | 33.8 | 4% | 0.035 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.4 | 129.7 | 170.2 | -72.2 | -97.4 | 0 | 0 | 0 | 109.2 | R330 P331 Y333 W606 G654 V655 L657 | R330-Y643 WeakPolarHBondContact CG-OH 3.5Å; R330-Y643 VanDerWaalsContact CZ-CZ 3.47Å; R330-Y643 VanDerWaalsContact NE-CZ 3.34Å; R330-Y643 PolarHBondContact NE-OH 3.47Å; R330-Y643 VanDerWaalsContact NH2-CZ 3.34Å; P331-Y643 PolarHBondContact O-OH 2.87Å; Y333-Y643 AromaticContact CD2-CE2 3.91Å; Y333-Y643 HydrophobicContact CD2-CE2 3.91Å; Y333-Y643 AromaticContact CD2-CZ 3.76Å; Y333-Y643 WeakPolarHBondContact CD2-OH 3.37Å; Y333-Y643 HydrophobicContact CE2-CE2 4.09Å; W606-Y643 AromaticContact CZ3-CD1 3.84Å; W606-Y643 HydrophobicContact CZ3-CD1 3.84Å; W606-Y643 HydrophobicContact CZ3-CE1 4Å; W606-Y643 HydrophobicContact CZ3-CG 4.31Å; Y643-G654 CarbonylContact O-C 3.58Å; Y643-G654 WeakPolarHBondContact O-CA 3.42Å; Y643-V655 PolarHBondContact N-O 2.91Å; Y643-V655 PolarHBondContact O-N 2.84Å; Y643-L657 HydrophobicContact CD1-CD1 4.09Å; Y643-L657 HydrophobicContact CD2-CB 3.62Å; Y643-L657 HydrophobicContact CD2-CD1 3.61Å; Y643-L657 HydrophobicContact CD2-CG 3.73Å; Y643-L657 HydrophobicContact CE1-CD1 4.49Å; Y643-L657 HydrophobicContact CE2-CB 3.69Å; Y643-L657 HydrophobicContact CE2-CD1 4.04Å; Y643-L657 HydrophobicContact CE2-CG 4.25Å; Y643-L657 HydrophobicContact CG-CB 4.49Å; Y643-L657 HydrophobicContact CG-CD1 3.63Å; Y643-L657 HydrophobicContact CG-CG 4.17Å |
| 644 | L | 94.3 | Very high | 91.3 | Very high | 7 Ų | 7 | 26.4 Ų | 26.4 | 4% | 0.037 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.2 | 124.2 | -174.5 | -55.5 | -179.1 | 0 | 0 | 0 | 109.9 | D607 K609 A619 M621 M626 T642 V652 | D607-L644 PolarHBondContact OD2-N 2.71Å; K609-L644 HydrophobicContact CB-CB 3.98Å; K609-L644 HydrophobicContact CB-CD1 3.98Å; A619-L644 HydrophobicContact CB-CD1 4.04Å; M621-L644 HydrophobicContact CG-CD1 3.9Å; M621-L644 HydrophobicContact CG-CD2 4.29Å; M621-L644 HydrophobicContact CG-CG 3.87Å; M621-L644 HydrophobicContact SD-CD1 4.43Å; M621-L644 HydrophobicContact SD-CD2 4.06Å; M621-L644 HydrophobicContact SD-CG 4.3Å; M626-L644 HydrophobicContact SD-CD2 3.92Å; T642-L644 HydrophobicContact CG2-CD2 4.03Å; L644-V652 HydrophobicContact CD2-CG1 3.65Å |
| 645 | Y | 92.8 | Very high | 91.3 | Very high | 7 Ų | 7 | 24.2 Ų | 24.2 | 3% | 0.027 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | -39.2 | 179.3 | 66.8 | -99.6 | 0 | 0 | 0 | 113.5 | Y337 I344 K609 Q653 V655 L673 | Y337-Y645 AromaticContact CD1-CD2 3.66Å; Y337-Y645 HydrophobicContact CD1-CD2 3.66Å; Y337-Y645 HydrophobicContact CD1-CE2 4.49Å; Y337-Y645 HydrophobicContact CD1-CG 4.44Å; Y337-Y645 AromaticContact CD2-CD2 3.83Å; Y337-Y645 HydrophobicContact CD2-CD2 3.83Å; Y337-Y645 HydrophobicContact CD2-CE2 4.26Å; Y337-Y645 HydrophobicContact CD2-CG 4.45Å; Y337-Y645 AromaticContact CE1-CD2 3.59Å; Y337-Y645 HydrophobicContact CE1-CD2 3.59Å; Y337-Y645 HydrophobicContact CE1-CE2 4.03Å; Y337-Y645 AromaticContact CE2-CD2 3.78Å; Y337-Y645 HydrophobicContact CE2-CD2 3.78Å; Y337-Y645 AromaticContact CE2-CE2 3.79Å; Y337-Y645 HydrophobicContact CE2-CE2 3.79Å; Y337-Y645 AromaticContact CG-CD2 3.75Å; Y337-Y645 HydrophobicContact CG-CD2 3.75Å; Y337-Y645 HydrophobicContact CG-CG 4.27Å; Y337-Y645 AromaticContact CZ-CD2 3.64Å; Y337-Y645 AromaticContact CZ-CE2 3.64Å; I344-Y645 HydrophobicContact CD1-CE1 4.31Å; K609-Y645 WeakPolarHBondContact CE-O 3.22Å; K609-Y645 PolarHBondContact NZ-O 2.79Å; Y645-Q653 HydrophobicContact CD1-CB 4.42Å; Y645-Q653 HydrophobicContact CD2-CB 4.32Å; Y645-Q653 HydrophobicContact CE1-CB 3.83Å; Y645-Q653 HydrophobicContact CE2-CB 3.7Å; Y645-Q653 VanDerWaalsContact CZ-CB 3.43Å; Y645-Q653 PolarHBondContact N-O 3.13Å; Y645-Q653 VanDerWaalsContact N-O 3.1Å; Y645-Q653 PolarHBondContact OH-OE1 2.87Å; Y645-Q653 VanDerWaalsContact OH-OE1 3.05Å; Y645-V655 HydrophobicContact CD1-CB 4.23Å; Y645-V655 HydrophobicContact CD1-CG1 4.12Å; Y645-V655 HydrophobicContact CE1-CB 4.37Å; Y645-L673 HydrophobicContact CE1-CD2 4.44Å |
| 646 | E | 92.7 | Very high | 91.2 | Very high | 22 Ų | 22 | 24 Ų | 24 | 10% | 0.103 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.5 | 137.1 | -177.4 | -173.9 | 171.2 | -175.2 | 0 | 0 | 110 | Y337 K648 Q653 | Y337-E646 HydrophobicContact CE1-CB 4Å; Y337-E646 HydrophobicContact CE1-CG 4.47Å; Y337-E646 WeakPolarHBondContact CE1-OE2 3.37Å; Y337-E646 PolarHBondContact OH-OE2 3.41Å; E646-K648 HydrophobicContact CG-CB 4.03Å; E646-Q653 HydrophobicContact CB-CB 4.32Å; E646-Q653 PolarHBondContact O-N 3.42Å |
| 647 | F | 93.9 | Very high | 91.1 | Very high | 0 Ų | 0 | 19.7 Ų | 19.7 | 0% | 0 | 10% | 0.103 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 98.1 | 169.7 | -170.6 | -179.4 | 0 | 0 | 0 | 107.9 | K609 E611 E612 I617 A619 I628 E651 V652 I678 | K609-F647 HydrophobicContact CB-CB 4.38Å; K609-F647 HydrophobicContact CG-CB 3.69Å; E611-F647 WeakPolarHBondContact CA-O 3.17Å; E611-F647 HydrophobicContact CB-CD1 3.97Å; E611-F647 HydrophobicContact CB-CD2 4.22Å; E611-F647 HydrophobicContact CB-CE1 4.12Å; E611-F647 HydrophobicContact CB-CE2 4.37Å; E611-F647 HydrophobicContact CB-CG 4.04Å; E611-F647 HydrophobicContact CB-CZ 4.32Å; E611-F647 HydrophobicContact CG-CD2 4.08Å; E611-F647 HydrophobicContact CG-CE2 4.24Å; E611-F647 HydrophobicContact CG-CG 4.34Å; E612-F647 PolarHBondContact N-O 3.04Å; I617-F647 HydrophobicContact CG2-CE1 3.7Å; I617-F647 HydrophobicContact CG2-CZ 3.5Å; A619-F647 HydrophobicContact CB-CD1 4.1Å; A619-F647 HydrophobicContact CB-CE1 4Å; I628-F647 HydrophobicContact CG2-CZ 4.22Å; F647-E651 WeakPolarHBondContact CD2-O 3.23Å; F647-V652 HydrophobicContact CD1-CG2 3.92Å; F647-V652 HydrophobicContact CD2-CB 4.39Å; F647-V652 HydrophobicContact CD2-CG2 3.67Å; F647-V652 HydrophobicContact CE1-CG2 3.71Å; F647-V652 HydrophobicContact CE2-CG2 3.44Å; F647-V652 VanDerWaalsContact CE2-CG2 3.44Å; F647-V652 HydrophobicContact CG-CG2 3.89Å; F647-V652 HydrophobicContact CZ-CG2 3.46Å; F647-V652 VanDerWaalsContact CZ-CG2 3.46Å; F647-I678 HydrophobicContact CE2-CD1 3.56Å; F647-I678 HydrophobicContact CE2-CG1 3.89Å; F647-I678 HydrophobicContact CZ-CD1 3.47Å; F647-I678 VanDerWaalsContact CZ-CD1 3.47Å; F647-I678 HydrophobicContact CZ-CG1 3.86Å |
| 648 | K | 90.9 | Very high | 90.6 | Very high | 73 Ų | 73 | 18 Ų | 18 | 32% | 0.317 | 9% | 0.088 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -146 | 150 | -173.2 | -168.6 | 179 | -172 | 152.8 | 0 | 110 | E612 D613 E646 L650 E651 | E612-K648 HydrophobicContact CB-CG 4.46Å; E612-K648 IonicContact OE2-NZ 2.92Å; D613-K648 WeakPolarHBondContact OD2-CG 3.4Å; E646-K648 HydrophobicContact CG-CB 4.03Å; K648-L650 PolarHBondContact O-N 3.05Å; K648-E651 PolarHBondContact N-O 2.7Å; K648-E651 PolarHBondContact O-N 3.45Å |
| 649 | N | 87.1 | Confident | 90.1 | Very high | 62 Ų | 62 | 17.9 Ų | 17.9 | 33% | 0.332 | 9% | 0.087 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 50.8 | 52.3 | 178.8 | -60.4 | -60.5 | 0 | 0 | 0 | 111.8 | D613 E651 K707 | D613-N649 WeakPolarHBondContact OD2-CA 3.44Å; D613-N649 PolarHBondContact OD2-N 2.69Å; N649-E651 PolarHBondContact O-N 2.9Å; N649-K707 HydrophobicContact CB-CB 4.27Å; N649-K707 HydrophobicContact CB-CD 3.91Å; N649-K707 WeakPolarHBondContact O-CD 3.39Å; N649-K707 WeakPolarHBondContact O-CE 3.28Å; N649-K707 PolarHBondContact O-NZ 2.91Å |
| 650 | L | 89.6 | Confident | 89.9 | Confident | 7 Ų | 7 | 16.4 Ų | 16.4 | 4% | 0.037 | 8% | 0.08 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 55.2 | 28.4 | 177.5 | -50.8 | 173.4 | 0 | 0 | 0 | 115.1 | E611 I617 K648 I678 V681 H705 L708 | E611-L650 VanDerWaalsContact OE1-CA 3.23Å; E611-L650 WeakPolarHBondContact OE1-CA 3.39Å; E611-L650 PolarHBondContact OE1-N 2.88Å; I617-L650 HydrophobicContact CD1-CD2 4.5Å; K648-L650 PolarHBondContact O-N 3.05Å; L650-I678 HydrophobicContact CB-CB 4.49Å; L650-I678 HydrophobicContact CB-CD1 3.98Å; L650-I678 HydrophobicContact CB-CG1 4.39Å; L650-I678 HydrophobicContact CD2-CD1 3.92Å; L650-I678 WeakPolarHBondContact O-CG1 3.36Å; L650-I678 PolarHBondContact O-N 3.13Å; L650-V681 HydrophobicContact CB-CG2 3.59Å; L650-V681 HydrophobicContact CD1-CG2 3.89Å; L650-V681 HydrophobicContact CG-CG2 4.43Å; L650-H705 HydrophobicContact CD1-CB 4.06Å; L650-L708 HydrophobicContact CD1-CD1 4.11Å; L650-L708 HydrophobicContact CD1-CD2 4.26Å; L650-L708 HydrophobicContact CD1-CG 3.91Å |
| 651 | E | 92.4 | Very high | 89.6 | Confident | 39 Ų | 39 | 17.1 Ų | 17.1 | 18% | 0.182 | 8% | 0.084 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.6 | 126 | 178.7 | 178.1 | 165.2 | -138.1 | 0 | 0 | 111.4 | F647 K648 N649 Q653 K675 T676 K707 | F647-E651 WeakPolarHBondContact CD2-O 3.23Å; K648-E651 PolarHBondContact N-O 2.7Å; K648-E651 PolarHBondContact O-N 3.45Å; N649-E651 PolarHBondContact O-N 2.9Å; E651-Q653 HydrophobicContact CG-CG 4.44Å; E651-K675 WeakPolarHBondContact OE1-CB 3.41Å; E651-T676 WeakPolarHBondContact CA-O 3.14Å; E651-K707 IonicContact OE2-NZ 3.51Å; E651-K707 PolarHBondContact OE2-NZ 2.81Å |
| 652 | V | 93.9 | Very high | 89 | Confident | 2 Ų | 2 | 22.5 Ų | 22.5 | 1% | 0.012 | 11% | 0.107 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 124.1 | 176 | -174.2 | 0 | 0 | 0 | 0 | 108 | A619 M626 I628 L644 F647 T676 | A619-V652 HydrophobicContact CB-CG1 4.09Å; A619-V652 HydrophobicContact CB-CG2 3.9Å; M626-V652 HydrophobicContact SD-CB 4.22Å; M626-V652 HydrophobicContact SD-CG1 3.68Å; I628-V652 HydrophobicContact CD1-CG2 3.78Å; I628-V652 HydrophobicContact CG1-CG2 4.08Å; L644-V652 HydrophobicContact CD2-CG1 3.65Å; F647-V652 HydrophobicContact CD1-CG2 3.92Å; F647-V652 HydrophobicContact CD2-CB 4.39Å; F647-V652 HydrophobicContact CD2-CG2 3.67Å; F647-V652 HydrophobicContact CE1-CG2 3.71Å; F647-V652 HydrophobicContact CE2-CG2 3.44Å; F647-V652 VanDerWaalsContact CE2-CG2 3.44Å; F647-V652 HydrophobicContact CG-CG2 3.89Å; F647-V652 HydrophobicContact CZ-CG2 3.46Å; F647-V652 VanDerWaalsContact CZ-CG2 3.46Å; V652-T676 PolarHBondContact N-O 2.7Å; V652-T676 PolarHBondContact O-N 2.81Å |
| 653 | Q | 94.1 | Very high | 88.1 | Confident | 33 Ų | 33 | 24.5 Ų | 24.5 | 15% | 0.154 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 134.7 | 175.8 | -54.3 | -172.5 | -4.5 | 0 | 0 | 110.2 | Y645 E646 E651 L674 K675 | Y645-Q653 HydrophobicContact CD1-CB 4.42Å; Y645-Q653 HydrophobicContact CD2-CB 4.32Å; Y645-Q653 HydrophobicContact CE1-CB 3.83Å; Y645-Q653 HydrophobicContact CE2-CB 3.7Å; Y645-Q653 VanDerWaalsContact CZ-CB 3.43Å; Y645-Q653 PolarHBondContact N-O 3.13Å; Y645-Q653 VanDerWaalsContact N-O 3.1Å; Y645-Q653 PolarHBondContact OH-OE1 2.87Å; Y645-Q653 VanDerWaalsContact OH-OE1 3.05Å; E646-Q653 HydrophobicContact CB-CB 4.32Å; E646-Q653 PolarHBondContact O-N 3.42Å; E651-Q653 HydrophobicContact CG-CG 4.44Å; Q653-L674 WeakPolarHBondContact CA-O 3.42Å; Q653-K675 HydrophobicContact CG-CG 4.45Å |
| 654 | G | 93.4 | Very high | 86.9 | Confident | 1 Ų | 1 | 26.9 Ų | 26.9 | 1% | 0.01 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.1 | 162.4 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | T642 Y643 L674 | T642-G654 VanDerWaalsContact OG1-CA 3.31Å; T642-G654 WeakPolarHBondContact OG1-CA 3.48Å; Y643-G654 CarbonylContact O-C 3.58Å; Y643-G654 WeakPolarHBondContact O-CA 3.42Å; G654-L674 PolarHBondContact N-O 2.88Å; G654-L674 PolarHBondContact O-N 3.42Å |
| 655 | V | 92.5 | Very high | 85.5 | Confident | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 136.5 | 178.4 | 57.6 | 0 | 0 | 0 | 0 | 112 | W335 I344 T642 Y643 Y645 L657 L660 F672 L673 | W335-V655 HydrophobicContact CH2-CG1 4.39Å; W335-V655 HydrophobicContact CZ3-CG1 4.11Å; I344-V655 HydrophobicContact CD1-CB 3.95Å; I344-V655 HydrophobicContact CD1-CG1 4.3Å; I344-V655 HydrophobicContact CD1-CG2 3.96Å; T642-V655 VanDerWaalsContact OG1-C 3.25Å; T642-V655 WeakPolarHBondContact OG1-CA 3.4Å; T642-V655 PolarHBondContact OG1-N 2.77Å; T642-V655 PolarHBondContact OG1-O 2.8Å; Y643-V655 PolarHBondContact N-O 2.91Å; Y643-V655 PolarHBondContact O-N 2.84Å; Y645-V655 HydrophobicContact CD1-CB 4.23Å; Y645-V655 HydrophobicContact CD1-CG1 4.12Å; Y645-V655 HydrophobicContact CE1-CB 4.37Å; V655-L657 VanDerWaalsContact C-N 3.34Å; V655-L657 HydrophobicContact CG1-CD2 3.99Å; V655-L657 HydrophobicContact CG1-CG 3.94Å; V655-L657 HydrophobicContact CG2-CD2 4.08Å; V655-L657 HydrophobicContact CG2-CG 4.49Å; V655-L657 PolarHBondContact O-N 3.13Å; V655-L657 VanDerWaalsContact O-N 3.07Å; V655-L660 HydrophobicContact CG2-CD1 3.34Å; V655-F672 WeakPolarHBondContact CA-O 3.38Å; V655-L673 HydrophobicContact CB-CD2 4.39Å; V655-L673 HydrophobicContact CG2-CD2 4.36Å |
| 656 | L | 89.5 | Confident | 84.6 | Confident | 21 Ų | 21 | 38.1 Ų | 38.1 | 11% | 0.11 | 19% | 0.194 | C | C | . | . | trans | -82.5 | 70.8 | 177 | -65.2 | 174.5 | 0 | 0 | 0 | 111.5 | D658 E659 L660 F672 | L656-D658 VanDerWaalsContact C-N 3.26Å; L656-D658 PolarHBondContact O-N 2.86Å; L656-E659 HydrophobicContact CB-CB 4.43Å; L656-E659 HydrophobicContact CB-CG 4.44Å; L656-E659 PolarHBondContact O-N 2.85Å; L656-E659 VanDerWaalsContact O-N 3.15Å; L656-L660 PolarHBondContact O-N 3.38Å; L656-L660 VanDerWaalsContact O-N 3.14Å; L656-F672 PolarHBondContact N-O 3.34Å | ||
| 657 | L | 87.8 | Confident | 84 | Confident | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -59.4 | -33.7 | -178.1 | -63.7 | 173.7 | 0 | 0 | 0 | 113.6 | Y333 W335 Y346 Y643 V655 E659 L660 V661 | Y333-L657 HydrophobicContact CD2-CB 3.66Å; Y333-L657 HydrophobicContact CD2-CD1 4.2Å; Y333-L657 HydrophobicContact CE2-CB 3.95Å; Y333-L657 HydrophobicContact CG-CB 4.48Å; W335-L657 HydrophobicContact CB-CD1 4.17Å; W335-L657 HydrophobicContact CD2-CD1 3.62Å; W335-L657 HydrophobicContact CE3-CD1 4.34Å; W335-L657 HydrophobicContact CG-CD1 3.49Å; W335-L657 VanDerWaalsContact CG-CD1 3.49Å; Y346-L657 HydrophobicContact CG-CD2 4.39Å; Y643-L657 HydrophobicContact CD1-CD1 4.09Å; Y643-L657 HydrophobicContact CD2-CB 3.62Å; Y643-L657 HydrophobicContact CD2-CD1 3.61Å; Y643-L657 HydrophobicContact CD2-CG 3.73Å; Y643-L657 HydrophobicContact CE1-CD1 4.49Å; Y643-L657 HydrophobicContact CE2-CB 3.69Å; Y643-L657 HydrophobicContact CE2-CD1 4.04Å; Y643-L657 HydrophobicContact CE2-CG 4.25Å; Y643-L657 HydrophobicContact CG-CB 4.49Å; Y643-L657 HydrophobicContact CG-CD1 3.63Å; Y643-L657 HydrophobicContact CG-CG 4.17Å; V655-L657 VanDerWaalsContact C-N 3.34Å; V655-L657 HydrophobicContact CG1-CD2 3.99Å; V655-L657 HydrophobicContact CG1-CG 3.94Å; V655-L657 HydrophobicContact CG2-CD2 4.08Å; V655-L657 HydrophobicContact CG2-CG 4.49Å; V655-L657 PolarHBondContact O-N 3.13Å; V655-L657 VanDerWaalsContact O-N 3.07Å; L657-E659 PolarHBondContact O-N 3.39Å; L657-L660 HydrophobicContact CD2-CD1 4.22Å; L657-L660 PolarHBondContact O-N 3.09Å; L657-V661 WeakPolarHBondContact O-CB 3.33Å; L657-V661 WeakPolarHBondContact O-CG2 3.25Å; L657-V661 PolarHBondContact O-N 3.18Å |
| 658 | D | 81.5 | Confident | 83.5 | Confident | 6 Ų | 6 | 42 Ų | 42 | 3% | 0.032 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -58.5 | -34.2 | 178.5 | -63.5 | -47.5 | 0 | 0 | 0 | 112.5 | R330 Y333 L656 K662 | R330-D658 IonicContact CZ-OD2 2.73Å; R330-D658 IonicContact NH1-OD2 2.9Å; R330-D658 PolarHBondContact NH1-OD2 2.92Å; R330-D658 IonicContact NH2-OD2 3.84Å; Y333-D658 VanDerWaalsContact CE2-OD1 3.25Å; Y333-D658 WeakPolarHBondContact CE2-OD1 3.4Å; Y333-D658 PolarHBondContact OH-OD1 2.86Å; L656-D658 VanDerWaalsContact C-N 3.26Å; L656-D658 PolarHBondContact O-N 2.86Å; D658-K662 WeakPolarHBondContact O-CD 3.45Å; D658-K662 VanDerWaalsContact O-CG 3.31Å; D658-K662 WeakPolarHBondContact O-CG 3.46Å |
| 659 | E | 80.1 | Confident | 83.1 | Confident | 39 Ų | 39 | 41.1 Ų | 41.1 | 18% | 0.182 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -87 | -36.5 | 179.5 | -60.8 | -62 | 130.9 | 0 | 0 | 111.4 | K52 G53 L656 L657 V661 K662 T663 F672 | K52-E659 HydrophobicContact CB-CG 4.29Å; G53-E659 WeakPolarHBondContact CA-OE1 3.4Å; G53-E659 PolarHBondContact N-OE1 2.82Å; L656-E659 HydrophobicContact CB-CB 4.43Å; L656-E659 HydrophobicContact CB-CG 4.44Å; L656-E659 PolarHBondContact O-N 2.85Å; L656-E659 VanDerWaalsContact O-N 3.15Å; L657-E659 PolarHBondContact O-N 3.39Å; E659-V661 PolarHBondContact O-N 3.31Å; E659-K662 PolarHBondContact O-N 3.45Å; E659-T663 PolarHBondContact O-N 3.33Å; E659-T663 PolarHBondContact O-OG1 3.38Å; E659-F672 HydrophobicContact CB-CD1 3.98Å; E659-F672 HydrophobicContact CB-CE1 3.82Å |
| 660 | L | 83.9 | Confident | 83 | Confident | 3 Ų | 3 | 44.8 Ų | 44.8 | 2% | 0.016 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -62.6 | -40.2 | 175.6 | -77.4 | 172.8 | 0 | 0 | 0 | 112.5 | Y346 W361 V655 L656 L657 T663 P668 F672 | Y346-L660 HydrophobicContact CE2-CB 4.33Å; W361-L660 HydrophobicContact CZ3-CD1 4.2Å; V655-L660 HydrophobicContact CG2-CD1 3.34Å; L656-L660 PolarHBondContact O-N 3.38Å; L656-L660 VanDerWaalsContact O-N 3.14Å; L657-L660 HydrophobicContact CD2-CD1 4.22Å; L657-L660 PolarHBondContact O-N 3.09Å; L660-T663 PolarHBondContact O-N 3.36Å; L660-T663 PolarHBondContact O-OG1 2.87Å; L660-P668 HydrophobicContact CD2-CB 3.75Å; L660-F672 HydrophobicContact CD1-CB 4.12Å; L660-F672 HydrophobicContact CD2-CB 3.83Å; L660-F672 HydrophobicContact CD2-CD1 4Å; L660-F672 HydrophobicContact CD2-CD2 3.27Å; L660-F672 HydrophobicContact CD2-CE1 4.38Å; L660-F672 HydrophobicContact CD2-CE2 3.72Å; L660-F672 HydrophobicContact CD2-CG 3.43Å; L660-F672 VanDerWaalsContact CD2-CG 3.43Å; L660-F672 HydrophobicContact CD2-CZ 4.25Å; L660-F672 HydrophobicContact CG-CB 3.86Å; L660-F672 HydrophobicContact CG-CD1 4.02Å; L660-F672 HydrophobicContact CG-CD2 4.13Å; L660-F672 HydrophobicContact CG-CG 3.75Å |
| 661 | V | 80.8 | Confident | 82.8 | Confident | 25 Ų | 25 | 50.4 Ų | 50.4 | 15% | 0.152 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -73.1 | -30.6 | -178.9 | 171.2 | 0 | 0 | 0 | 0 | 112 | Y333 Y346 L657 E659 V664 | Y333-V661 HydrophobicContact CD1-CG2 3.89Å; Y333-V661 HydrophobicContact CE1-CB 3.93Å; Y333-V661 HydrophobicContact CE1-CG1 3.79Å; Y333-V661 HydrophobicContact CE1-CG2 3.7Å; Y333-V661 HydrophobicContact CG-CG2 4.43Å; Y346-V661 HydrophobicContact CD2-CG2 4.36Å; L657-V661 WeakPolarHBondContact O-CB 3.33Å; L657-V661 WeakPolarHBondContact O-CG2 3.25Å; L657-V661 PolarHBondContact O-N 3.18Å; E659-V661 PolarHBondContact O-N 3.31Å; V661-V664 WeakPolarHBondContact O-CG2 3.23Å |
| 662 | K | 74.6 | Confident | 82.5 | Confident | 116 Ų | 116 | 49.3 Ų | 49.3 | 50% | 0.504 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -71 | -30.8 | 174.9 | -73.1 | 177.5 | -179.1 | -172.3 | 0 | 112.9 | D658 E659 V664 | D658-K662 WeakPolarHBondContact O-CD 3.45Å; D658-K662 VanDerWaalsContact O-CG 3.31Å; D658-K662 WeakPolarHBondContact O-CG 3.46Å; E659-K662 PolarHBondContact O-N 3.45Å; K662-V664 VanDerWaalsContact C-N 3.26Å; K662-V664 PolarHBondContact O-N 3.37Å; K662-V664 VanDerWaalsContact O-N 3.09Å |
| 663 | T | 71.9 | Confident | 82.3 | Confident | 42 Ų | 42 | 50.5 Ų | 50.5 | 26% | 0.258 | 25% | 0.254 | S | S | . | . | S | Bend | trans | -87.9 | 58.7 | -177 | 47 | 0 | 0 | 0 | 0 | 111.8 | E659 L660 N665 I666 | E659-T663 PolarHBondContact O-N 3.33Å; E659-T663 PolarHBondContact O-OG1 3.38Å; L660-T663 PolarHBondContact O-N 3.36Å; L660-T663 PolarHBondContact O-OG1 2.87Å; T663-N665 PolarHBondContact O-N 2.62Å; T663-I666 HydrophobicContact CG2-CD1 4.18Å; T663-I666 PolarHBondContact O-N 2.93Å |
| 664 | V | 66.8 | Low | 82.1 | Confident | 60 Ų | 60 | 51.5 Ų | 51.5 | 36% | 0.364 | 26% | 0.259 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.2 | 128.6 | 177.4 | -175 | 0 | 0 | 0 | 0 | 109.7 | Y348 V661 K662 | Y348-V664 HydrophobicContact CD2-CG1 4.24Å; Y348-V664 HydrophobicContact CD2-CG2 4.03Å; Y348-V664 HydrophobicContact CE2-CB 4.48Å; Y348-V664 HydrophobicContact CE2-CG1 3.6Å; Y348-V664 HydrophobicContact CE2-CG2 4.21Å; V661-V664 WeakPolarHBondContact O-CG2 3.23Å; K662-V664 VanDerWaalsContact C-N 3.26Å; K662-V664 PolarHBondContact O-N 3.37Å; K662-V664 VanDerWaalsContact O-N 3.09Å |
| 665 | N | 65.6 | Low | 82 | Confident | 140 Ų | 140 | 57.1 Ų | 57.1 | 75% | 0.749 | 28% | 0.284 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 77.8 | 8.6 | -178.5 | -50.3 | -41.4 | 0 | 0 | 0 | 117.8 | T663 | T663-N665 PolarHBondContact O-N 2.62Š|
| 666 | I | 74.4 | Confident | 82 | Confident | 110 Ų | 110 | 57.7 Ų | 57.7 | 56% | 0.564 | 29% | 0.287 | S | S | * | . | S | Bend | trans | -100 | 136.8 | 173.2 | -60.6 | 174.4 | 0 | 0 | 0 | 109.3 | T663 P668 | T663-I666 HydrophobicContact CG2-CD1 4.18Å; T663-I666 PolarHBondContact O-N 2.93Å; I666-P668 WeakPolarHBondContact O-CD 3.19Å |
| 667 | Q | 79.6 | Confident | 82 | Confident | 97 Ų | 97 | 58.2 Ų | 58.2 | 45% | 0.453 | 29% | 0.292 | S | S | . | . | P | Polyproline II helix | trans | -62.1 | 121.8 | 173.3 | -170.7 | 73 | 1 | 0 | 0 | 108.7 | N366 T368 | N366-Q667 PolarHBondContact O-NE2 2.84Å; T368-Q667 VanDerWaalsContact OG1-CD 3.31Å; T368-Q667 PolarHBondContact OG1-NE2 3.06Å; T368-Q667 PolarHBondContact OG1-OE1 3.49Å |
| 668 | P | 82.5 | Confident | 82.2 | Confident | 5 Ų | 5 | 58.3 Ų | 58.3 | 3% | 0.032 | 29% | 0.293 | C | S | . | . | P | Polyproline II helix | trans | -60.9 | 144.6 | 176.7 | 27.5 | -34.9 | 0 | 0 | 0 | 110 | W361 N366 T368 L660 I666 F672 | W361-P668 HydrophobicContact CB-CG 4.25Å; W361-P668 HydrophobicContact CD2-CB 3.76Å; W361-P668 HydrophobicContact CD2-CG 3.64Å; W361-P668 HydrophobicContact CE3-CB 3.97Å; W361-P668 HydrophobicContact CE3-CG 4.26Å; W361-P668 HydrophobicContact CG-CB 4.28Å; W361-P668 HydrophobicContact CG-CG 3.61Å; W361-P668 HydrophobicContact CH2-CB 4.1Å; W361-P668 HydrophobicContact CZ2-CB 3.92Å; W361-P668 HydrophobicContact CZ2-CG 4.41Å; W361-P668 HydrophobicContact CZ3-CB 4.13Å; N366-P668 PolarHBondContact OD1-O 3.42Å; T368-P668 HydrophobicContact CG2-CG 3.44Å; T368-P668 VanDerWaalsContact CG2-CG 3.44Å; L660-P668 HydrophobicContact CD2-CB 3.75Å; I666-P668 WeakPolarHBondContact O-CD 3.19Å; P668-F672 HydrophobicContact CB-CD2 4.47Å |
| 669 | N | 84.1 | Confident | 82.6 | Confident | 55 Ų | 55 | 62.8 Ų | 62.8 | 29% | 0.294 | 31% | 0.312 | S | S | . | . | trans | -124.5 | 170.3 | -178.7 | 66.5 | 5.4 | 0 | 0 | 0 | 110.6 | W361 E671 F672 | W361-N669 VanDerWaalsContact CH2-O 3.24Å; W361-N669 WeakPolarHBondContact CH2-O 3.39Å; W361-N669 WeakPolarHBondContact CZ2-O 3.35Å; N669-E671 PolarHBondContact O-N 2.97Å; N669-E671 VanDerWaalsContact O-N 3.12Å; N669-E671 WeakPolarHBondContact OD1-CB 3.37Å; N669-E671 PolarHBondContact OD1-N 3.22Å; N669-F672 WeakPolarHBondContact O-CD2 3.31Å; N669-F672 PolarHBondContact O-N 3.23Å; N669-F672 WeakPolarHBondContact OD1-CD2 3.38Å; N669-F672 WeakPolarHBondContact OD1-CE2 3.39Å | ||
| 670 | E | 84.9 | Confident | 83 | Confident | 139 Ų | 139 | 63.4 Ų | 63.4 | 65% | 0.65 | 31% | 0.314 | S | S | * | . | G | 310 helix | trans | -64.6 | -14.4 | 179.9 | -63.3 | -167.4 | 152.4 | 0 | 0 | 113.7 | F672 L673 | E670-F672 PolarHBondContact O-N 3.47Å; E670-L673 WeakPolarHBondContact O-CB 3.34Å; E670-L673 PolarHBondContact O-N 3.01Å |
| 671 | E | 85.1 | Confident | 83.2 | Confident | 125 Ų | 125 | 63.3 Ų | 63.3 | 58% | 0.584 | 31% | 0.313 | S | S | * | . | G | 310 helix | trans | -65.4 | -22.5 | 178.1 | -58.7 | -174 | -178.9 | 0 | 0 | 113.4 | K52 N669 L673 | K52-E671 IonicContact NZ-OE2 2.98Å; K52-E671 PolarHBondContact NZ-OE2 3.13Å; N669-E671 PolarHBondContact O-N 2.97Å; N669-E671 VanDerWaalsContact O-N 3.12Å; N669-E671 WeakPolarHBondContact OD1-CB 3.37Å; N669-E671 PolarHBondContact OD1-N 3.22Å; E671-L673 VanDerWaalsContact C-N 3.26Å |
| 672 | F | 85.4 | Confident | 83.6 | Confident | 16 Ų | 16 | 66.1 Ų | 66.1 | 7% | 0.07 | 32% | 0.321 | C | S | . | . | G | 310 helix | trans | -80.8 | -7.8 | 176 | -59.1 | -67.3 | 0 | 0 | 0 | 113 | V655 L656 E659 L660 P668 N669 E670 | V655-F672 WeakPolarHBondContact CA-O 3.38Å; L656-F672 PolarHBondContact N-O 3.34Å; E659-F672 HydrophobicContact CB-CD1 3.98Å; E659-F672 HydrophobicContact CB-CE1 3.82Å; L660-F672 HydrophobicContact CD1-CB 4.12Å; L660-F672 HydrophobicContact CD2-CB 3.83Å; L660-F672 HydrophobicContact CD2-CD1 4Å; L660-F672 HydrophobicContact CD2-CD2 3.27Å; L660-F672 HydrophobicContact CD2-CE1 4.38Å; L660-F672 HydrophobicContact CD2-CE2 3.72Å; L660-F672 HydrophobicContact CD2-CG 3.43Å; L660-F672 VanDerWaalsContact CD2-CG 3.43Å; L660-F672 HydrophobicContact CD2-CZ 4.25Å; L660-F672 HydrophobicContact CG-CB 3.86Å; L660-F672 HydrophobicContact CG-CD1 4.02Å; L660-F672 HydrophobicContact CG-CD2 4.13Å; L660-F672 HydrophobicContact CG-CG 3.75Å; P668-F672 HydrophobicContact CB-CD2 4.47Å; N669-F672 WeakPolarHBondContact O-CD2 3.31Å; N669-F672 PolarHBondContact O-N 3.23Å; N669-F672 WeakPolarHBondContact OD1-CD2 3.38Å; N669-F672 WeakPolarHBondContact OD1-CE2 3.39Å; E670-F672 PolarHBondContact O-N 3.47Å |
| 673 | L | 89.9 | Confident | 84.3 | Confident | 28 Ų | 28 | 63 Ų | 63 | 15% | 0.147 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 132.4 | 179.3 | -54.9 | 172.2 | 0 | 0 | 0 | 109.9 | I344 W361 L363 Y645 V655 E670 E671 | I344-L673 HydrophobicContact CD1-CD2 3.71Å; W361-L673 HydrophobicContact CH2-CD1 3.94Å; W361-L673 HydrophobicContact CH2-CD2 3.72Å; W361-L673 HydrophobicContact CH2-CG 3.7Å; W361-L673 HydrophobicContact CZ2-CD1 4.31Å; W361-L673 HydrophobicContact CZ3-CD2 3.74Å; W361-L673 HydrophobicContact CZ3-CG 4.25Å; L363-L673 HydrophobicContact CD1-CD1 4.48Å; L363-L673 HydrophobicContact CD2-CD1 3.84Å; L363-L673 HydrophobicContact CD2-CD2 4.05Å; Y645-L673 HydrophobicContact CE1-CD2 4.44Å; V655-L673 HydrophobicContact CB-CD2 4.39Å; V655-L673 HydrophobicContact CG2-CD2 4.36Å; E670-L673 WeakPolarHBondContact O-CB 3.34Å; E670-L673 PolarHBondContact O-N 3.01Å; E671-L673 VanDerWaalsContact C-N 3.26Å |
| 674 | L | 90 | Very high | 85.2 | Confident | 53 Ų | 53 | 61.1 Ų | 61.1 | 28% | 0.277 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 120.6 | 172.9 | -172.2 | 71 | 0 | 0 | 0 | 109.2 | T640 T642 Q653 G654 | T640-L674 HydrophobicContact CG2-CD2 3.93Å; T640-L674 WeakPolarHBondContact OG1-CD2 3.1Å; T642-L674 HydrophobicContact CG2-CD2 3.93Å; Q653-L674 WeakPolarHBondContact CA-O 3.42Å; G654-L674 PolarHBondContact N-O 2.88Å; G654-L674 PolarHBondContact O-N 3.42Å |
| 675 | K | 91.6 | Very high | 86.3 | Confident | 119 Ų | 119 | 63.1 Ų | 63.1 | 52% | 0.517 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 113.6 | 173.7 | -70.5 | -177.9 | -177.9 | 170.4 | 0 | 109 | E651 Q653 | E651-K675 WeakPolarHBondContact OE1-CB 3.41Å; Q653-K675 HydrophobicContact CG-CG 4.45Å |
| 676 | T | 91.3 | Very high | 87.4 | Confident | 12 Ų | 12 | 61.3 Ų | 61.3 | 7% | 0.074 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 105.9 | -172.6 | -54.4 | 0 | 0 | 0 | 0 | 111.3 | M626 I628 I638 E651 V652 | M626-T676 HydrophobicContact CE-CG2 3.55Å; I628-T676 HydrophobicContact CD1-CG2 4.37Å; I638-T676 HydrophobicContact CD1-CG2 3.32Å; E651-T676 WeakPolarHBondContact CA-O 3.14Å; V652-T676 PolarHBondContact N-O 2.7Å; V652-T676 PolarHBondContact O-N 2.81Å |
| 677 | P | 91.3 | Very high | 88.2 | Confident | 33 Ų | 33 | 57.6 Ų | 57.6 | 21% | 0.214 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.3 | 138.6 | 174.7 | 28.2 | -33.3 | 0 | 0 | 0 | 111.6 | V681 R682 | P677-V681 HydrophobicContact CB-CB 3.97Å; P677-V681 HydrophobicContact CB-CG1 3.86Å; P677-R682 HydrophobicContact CB-CG 4.49Å; P677-R682 HydrophobicContact CG-CG 4.12Å; P677-R682 PolarHBondContact O-NE 3.02Å |
| 678 | I | 91 | Very high | 88.5 | Confident | 2 Ų | 2 | 54.4 Ų | 54.4 | 1% | 0.01 | 26% | 0.256 | C | S | . | . | trans | -58.6 | 155.2 | 172.2 | -61.3 | -179.9 | 0 | 0 | 0 | 110.1 | I617 I628 E635 F647 L650 K680 V681 R682 | I617-I678 HydrophobicContact CG2-CD1 3.9Å; I628-I678 HydrophobicContact CG2-CG1 4.18Å; E635-I678 WeakPolarHBondContact OE1-CG2 3.23Å; F647-I678 HydrophobicContact CE2-CD1 3.56Å; F647-I678 HydrophobicContact CE2-CG1 3.89Å; F647-I678 HydrophobicContact CZ-CD1 3.47Å; F647-I678 VanDerWaalsContact CZ-CD1 3.47Å; F647-I678 HydrophobicContact CZ-CG1 3.86Å; L650-I678 HydrophobicContact CB-CB 4.49Å; L650-I678 HydrophobicContact CB-CD1 3.98Å; L650-I678 HydrophobicContact CB-CG1 4.39Å; L650-I678 HydrophobicContact CD2-CD1 3.92Å; L650-I678 WeakPolarHBondContact O-CG1 3.36Å; L650-I678 PolarHBondContact O-N 3.13Å; I678-K680 HydrophobicContact CG2-CB 4.48Å; I678-K680 PolarHBondContact O-N 2.72Å; I678-V681 PolarHBondContact O-N 3.44Å; I678-R682 PolarHBondContact O-N 3.21Å | ||
| 679 | K | 89.6 | Confident | 88.7 | Confident | 100 Ų | 100 | 61.6 Ų | 61.6 | 44% | 0.435 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -47.4 | -42 | 174.4 | -176 | -177.3 | 173 | -170.6 | 0 | 113.3 | E635 V681 R682 D683 | E635-K679 VanDerWaalsContact CD-N 3.31Å; E635-K679 HydrophobicContact CG-CB 4.14Å; E635-K679 WeakPolarHBondContact OE1-CA 3.22Å; E635-K679 WeakPolarHBondContact OE1-CB 3.42Å; E635-K679 PolarHBondContact OE1-N 2.85Å; E635-K679 WeakPolarHBondContact OE2-CB 3.47Å; E635-K679 PolarHBondContact OE2-N 3.39Å; K679-V681 VanDerWaalsContact C-N 3.26Å; K679-V681 PolarHBondContact O-N 2.91Å; K679-R682 CarbonylContact O-C 3.52Å; K679-R682 WeakPolarHBondContact O-CA 3.45Å; K679-R682 WeakPolarHBondContact O-CB 3.46Å; K679-R682 PolarHBondContact O-N 2.8Å; K679-D683 VanDerWaalsContact CE-OD2 3.23Å; K679-D683 WeakPolarHBondContact CE-OD2 3.23Å; K679-D683 WeakPolarHBondContact CG-OD2 3.4Å; K679-D683 WeakPolarHBondContact O-CB 3.17Å; K679-D683 PolarHBondContact O-N 2.96Å |
| 680 | K | 87.8 | Confident | 88.8 | Confident | 51 Ų | 51 | 67 Ų | 67 | 22% | 0.222 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -53.9 | -40.7 | 177.6 | -69.1 | -178.6 | -176.3 | 168.8 | 0 | 113.2 | D630 I678 F684 | D630-K680 WeakPolarHBondContact OD2-CE 3.36Å; D630-K680 IonicContact OD2-NZ 3.94Å; D630-K680 PolarHBondContact OD2-NZ 3.36Å; I678-K680 HydrophobicContact CG2-CB 4.48Å; I678-K680 PolarHBondContact O-N 2.72Å; K680-F684 WeakPolarHBondContact O-CB 3.31Å; K680-F684 PolarHBondContact O-N 2.91Å |
| 681 | V | 89.2 | Confident | 88.7 | Confident | 2 Ų | 2 | 64.1 Ų | 64.1 | 1% | 0.012 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -72.6 | -37.6 | 177.3 | 176.6 | 0 | 0 | 0 | 0 | 111 | L650 P677 I678 K679 K685 L708 L711 | L650-V681 HydrophobicContact CB-CG2 3.59Å; L650-V681 HydrophobicContact CD1-CG2 3.89Å; L650-V681 HydrophobicContact CG-CG2 4.43Å; P677-V681 HydrophobicContact CB-CB 3.97Å; P677-V681 HydrophobicContact CB-CG1 3.86Å; I678-V681 PolarHBondContact O-N 3.44Å; K679-V681 VanDerWaalsContact C-N 3.26Å; K679-V681 PolarHBondContact O-N 2.91Å; V681-K685 WeakPolarHBondContact O-CG 3.3Å; V681-K685 PolarHBondContact O-N 3.48Å; V681-L708 HydrophobicContact CG2-CD2 4Å; V681-L711 HydrophobicContact CG1-CD1 3.91Å |
| 682 | R | 88.6 | Confident | 88.7 | Confident | 84 Ų | 84 | 59.2 Ų | 59.2 | 32% | 0.317 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -66 | -46.7 | 177.1 | -66.3 | -176.4 | -81.7 | 162.6 | -4.6 | 111.6 | E635 P677 I678 K679 K685 Q686 | E635-R682 IonicContact OE2-NH2 3.33Å; E635-R682 PolarHBondContact OE2-NH2 3.17Å; P677-R682 HydrophobicContact CB-CG 4.49Å; P677-R682 HydrophobicContact CG-CG 4.12Å; P677-R682 PolarHBondContact O-NE 3.02Å; I678-R682 PolarHBondContact O-N 3.21Å; K679-R682 CarbonylContact O-C 3.52Å; K679-R682 WeakPolarHBondContact O-CA 3.45Å; K679-R682 WeakPolarHBondContact O-CB 3.46Å; K679-R682 PolarHBondContact O-N 2.8Å; R682-K685 PolarHBondContact O-N 2.86Å; R682-Q686 WeakPolarHBondContact O-CG 3.14Å; R682-Q686 PolarHBondContact O-N 2.8Å |
| 683 | D | 89.2 | Confident | 88.8 | Confident | 51 Ų | 51 | 59.6 Ų | 59.6 | 27% | 0.273 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -62.5 | -44.9 | 176.5 | -66.8 | -5.3 | 0 | 0 | 0 | 109.8 | K679 K685 Q686 I687 | K679-D683 VanDerWaalsContact CE-OD2 3.23Å; K679-D683 WeakPolarHBondContact CE-OD2 3.23Å; K679-D683 WeakPolarHBondContact CG-OD2 3.4Å; K679-D683 WeakPolarHBondContact O-CB 3.17Å; K679-D683 PolarHBondContact O-N 2.96Å; D683-K685 PolarHBondContact O-N 2.94Å; D683-Q686 PolarHBondContact O-N 3.12Å; D683-Q686 VanDerWaalsContact O-N 3.15Å; D683-I687 VanDerWaalsContact O-CG1 3.28Å; D683-I687 WeakPolarHBondContact O-CG1 3.45Å; D683-I687 PolarHBondContact O-N 3.1Å |
| 684 | F | 91 | Very high | 88.6 | Confident | 1 Ų | 1 | 66 Ų | 66 | 0% | 0.004 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -58 | -46.1 | 175.3 | -179.6 | -103.7 | 0 | 0 | 0 | 112.8 | K680 Q686 I687 L688 A696 F699 I700 L708 L711 F712 | K680-F684 WeakPolarHBondContact O-CB 3.31Å; K680-F684 PolarHBondContact O-N 2.91Å; F684-Q686 VanDerWaalsContact C-N 3.33Å; F684-Q686 PolarHBondContact O-N 2.91Å; F684-I687 PolarHBondContact O-N 2.97Å; F684-L688 HydrophobicContact CE1-CD1 3.82Å; F684-L688 HydrophobicContact CZ-CD1 3.79Å; F684-L688 WeakPolarHBondContact O-CB 3.37Å; F684-L688 PolarHBondContact O-N 3.35Å; F684-A696 HydrophobicContact CE2-CB 3.87Å; F684-A696 HydrophobicContact CZ-CB 4.38Å; F684-F699 HydrophobicContact CB-CD1 4.17Å; F684-F699 HydrophobicContact CB-CE1 3.91Å; F684-F699 AromaticContact CD2-CD1 3.63Å; F684-F699 HydrophobicContact CD2-CD1 3.63Å; F684-F699 HydrophobicContact CD2-CE1 4.22Å; F684-F699 HydrophobicContact CD2-CG 4.37Å; F684-F699 HydrophobicContact CG-CD1 4.34Å; F684-I700 HydrophobicContact CD2-CG1 4.38Å; F684-I700 HydrophobicContact CE2-CD1 3.7Å; F684-I700 HydrophobicContact CE2-CG1 3.65Å; F684-I700 HydrophobicContact CZ-CD1 3.85Å; F684-I700 HydrophobicContact CZ-CG1 4.21Å; F684-L708 HydrophobicContact CB-CD2 3.93Å; F684-L708 HydrophobicContact CD1-CD2 3.97Å; F684-L708 HydrophobicContact CG-CD2 3.9Å; F684-L711 HydrophobicContact CD1-CB 4.26Å; F684-L711 HydrophobicContact CD1-CD1 4.35Å; F684-L711 HydrophobicContact CE1-CB 3.71Å; F684-F712 HydrophobicContact CE2-CD2 4.34Å; F684-F712 HydrophobicContact CZ-CB 3.81Å; F684-F712 AromaticContact CZ-CD2 3.93Å; F684-F712 HydrophobicContact CZ-CD2 3.93Å; F684-F712 HydrophobicContact CZ-CG 4.37Å |
| 685 | K | 89.2 | Confident | 88.5 | Confident | 102 Ų | 102 | 68.4 Ų | 68.4 | 44% | 0.443 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -60.7 | -40.8 | 175.2 | -75.7 | -177.3 | 177.4 | -172 | 0 | 112.1 | V681 R682 D683 L688 E689 | V681-K685 WeakPolarHBondContact O-CG 3.3Å; V681-K685 PolarHBondContact O-N 3.48Å; R682-K685 PolarHBondContact O-N 2.86Å; D683-K685 PolarHBondContact O-N 2.94Å; K685-L688 PolarHBondContact O-N 3.41Å; K685-E689 WeakPolarHBondContact O-CG 3.07Å; K685-E689 PolarHBondContact O-N 2.91Å |
| 686 | Q | 89.8 | Confident | 88.4 | Confident | 103 Ų | 103 | 62.7 Ų | 62.7 | 48% | 0.481 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -65.5 | -41.4 | 176.6 | -71.9 | 179.9 | 15.8 | 0 | 0 | 112.8 | R682 D683 F684 L688 E689 K690 | R682-Q686 WeakPolarHBondContact O-CG 3.14Å; R682-Q686 PolarHBondContact O-N 2.8Å; D683-Q686 PolarHBondContact O-N 3.12Å; D683-Q686 VanDerWaalsContact O-N 3.15Å; F684-Q686 VanDerWaalsContact C-N 3.33Å; F684-Q686 PolarHBondContact O-N 2.91Å; Q686-L688 VanDerWaalsContact C-N 3.29Å; Q686-L688 PolarHBondContact O-N 3.08Å; Q686-E689 PolarHBondContact O-N 3.41Å; Q686-K690 WeakPolarHBondContact O-CB 3.47Å; Q686-K690 PolarHBondContact O-N 2.98Å |
| 687 | I | 90.4 | Very high | 88.2 | Confident | 31 Ų | 31 | 63.1 Ų | 63.1 | 16% | 0.159 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -61.3 | -42.9 | 174.7 | -67.3 | 164.9 | 0 | 0 | 0 | 109.6 | D683 F684 E689 K690 D691 G692 K695 A696 F699 | D683-I687 VanDerWaalsContact O-CG1 3.28Å; D683-I687 WeakPolarHBondContact O-CG1 3.45Å; D683-I687 PolarHBondContact O-N 3.1Å; F684-I687 PolarHBondContact O-N 2.97Å; I687-E689 VanDerWaalsContact C-N 3.32Å; I687-E689 PolarHBondContact O-N 3.46Å; I687-K690 PolarHBondContact O-N 2.85Å; I687-D691 HydrophobicContact CG2-CB 4.07Å; I687-D691 WeakPolarHBondContact O-CA 3.38Å; I687-D691 WeakPolarHBondContact O-CB 3.44Å; I687-D691 PolarHBondContact O-N 3.02Å; I687-G692 PolarHBondContact O-N 2.85Å; I687-K695 HydrophobicContact CG2-CB 4.01Å; I687-A696 HydrophobicContact CG2-CB 4.14Å; I687-F699 HydrophobicContact CD1-CB 4.33Å; I687-F699 HydrophobicContact CD1-CD2 3.57Å; I687-F699 HydrophobicContact CD1-CE2 4.02Å; I687-F699 HydrophobicContact CD1-CG 3.99Å |
| 688 | L | 87.1 | Confident | 88.1 | Confident | 31 Ų | 31 | 67.4 Ų | 67.4 | 16% | 0.162 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -64.3 | -36.3 | -179 | -163.4 | 132.8 | 0 | 0 | 0 | 113.1 | F684 K685 Q686 A715 | F684-L688 HydrophobicContact CE1-CD1 3.82Å; F684-L688 HydrophobicContact CZ-CD1 3.79Å; F684-L688 WeakPolarHBondContact O-CB 3.37Å; F684-L688 PolarHBondContact O-N 3.35Å; K685-L688 PolarHBondContact O-N 3.41Å; Q686-L688 VanDerWaalsContact C-N 3.29Å; Q686-L688 PolarHBondContact O-N 3.08Å; L688-A715 HydrophobicContact CD1-CB 3.42Å; L688-A715 VanDerWaalsContact CD1-CB 3.42Å; L688-A715 HydrophobicContact CD2-CB 3.5Å; L688-A715 HydrophobicContact CG-CB 3.83Å |
| 689 | E | 85.5 | Confident | 88 | Confident | 156 Ų | 156 | 69.1 Ų | 69.1 | 73% | 0.729 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -75 | -43 | 175.3 | -74 | 176 | -174.6 | 0 | 0 | 113 | K685 Q686 I687 | K685-E689 WeakPolarHBondContact O-CG 3.07Å; K685-E689 PolarHBondContact O-N 2.91Å; Q686-E689 PolarHBondContact O-N 3.41Å; I687-E689 VanDerWaalsContact C-N 3.32Å; I687-E689 PolarHBondContact O-N 3.46Å |
| 690 | K | 87.5 | Confident | 87.9 | Confident | 169 Ų | 169 | 64.4 Ų | 64.4 | 74% | 0.735 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -95.9 | -44.2 | -170.4 | -69.4 | -176.4 | 176.6 | 177.5 | 0 | 115 | Q686 I687 | Q686-K690 WeakPolarHBondContact O-CB 3.47Å; Q686-K690 PolarHBondContact O-N 2.98Å; I687-K690 PolarHBondContact O-N 2.85Å |
| 691 | D | 82.5 | Confident | 87.8 | Confident | 78 Ų | 78 | 66.5 Ų | 66.5 | 42% | 0.417 | 32% | 0.318 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101.7 | -15.5 | -166.6 | -72.1 | -56.1 | 0 | 0 | 0 | 113.8 | I687 K695 | I687-D691 HydrophobicContact CG2-CB 4.07Å; I687-D691 WeakPolarHBondContact O-CA 3.38Å; I687-D691 WeakPolarHBondContact O-CB 3.44Å; I687-D691 PolarHBondContact O-N 3.02Å; D691-K695 HydrophobicContact CB-CB 4.06Å; D691-K695 HydrophobicContact CB-CD 3.71Å; D691-K695 HydrophobicContact CB-CG 4.12Å; D691-K695 IonicContact OD1-NZ 3.86Å; D691-K695 PolarHBondContact OD1-NZ 3.44Å |
| 692 | G | 84.4 | Confident | 87.7 | Confident | 21 Ų | 21 | 72.6 Ų | 72.6 | 22% | 0.216 | 35% | 0.351 | C | S | . | . | trans | 90 | -177.1 | 177.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | I687 E694 A696 | I687-G692 PolarHBondContact O-N 2.85Å; G692-E694 PolarHBondContact O-N 3.42Å; G692-A696 WeakPolarHBondContact O-CB 3.45Å; G692-A696 PolarHBondContact O-N 3.04Å | ||
| 693 | L | 87.8 | Confident | 87.5 | Confident | 24 Ų | 24 | 70.6 Ų | 70.6 | 13% | 0.126 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -72.1 | -26.6 | -169.3 | -66 | 174.7 | 0 | 0 | 0 | 113.6 | S697 F712 A715 K719 N721 | L693-S697 PolarHBondContact O-N 3.29Å; L693-F712 HydrophobicContact CB-CE2 4.46Å; L693-F712 HydrophobicContact CB-CZ 4.49Å; L693-F712 HydrophobicContact CD2-CE2 4.26Å; L693-F712 VanDerWaalsContact O-CE2 3.29Å; L693-F712 WeakPolarHBondContact O-CE2 3.31Å; L693-A715 HydrophobicContact CD2-CB 4.2Å; L693-K719 HydrophobicContact CD1-CB 4.44Å; L693-K719 HydrophobicContact CD1-CD 3.96Å; L693-K719 HydrophobicContact CD2-CD 4.35Å; L693-K719 HydrophobicContact CG-CD 4.09Å; L693-N721 HydrophobicContact CD1-CB 4.13Å |
| 694 | E | 86.3 | Confident | 87.3 | Confident | 162 Ų | 162 | 72.6 Ų | 72.6 | 76% | 0.757 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -69.8 | -53.5 | -176.7 | -67.4 | 175.2 | 179.1 | 0 | 0 | 111.8 | G692 A696 S697 E698 | G692-E694 PolarHBondContact O-N 3.42Å; E694-A696 VanDerWaalsContact C-N 3.26Å; E694-A696 PolarHBondContact O-N 2.92Å; E694-S697 WeakPolarHBondContact O-CA 3.41Å; E694-S697 VanDerWaalsContact O-CB 3.27Å; E694-S697 WeakPolarHBondContact O-CB 3.42Å; E694-S697 PolarHBondContact O-N 3.07Å; E694-E698 PolarHBondContact O-N 3.13Å; E694-E698 VanDerWaalsContact O-N 3.13Å |
| 695 | K | 88 | Confident | 87 | Confident | 104 Ų | 104 | 74.2 Ų | 74.2 | 45% | 0.452 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -63 | -34 | 175.5 | -60.4 | -157.5 | -156.6 | 161.5 | 0 | 112.6 | I687 D691 S697 E698 F699 | I687-K695 HydrophobicContact CG2-CB 4.01Å; D691-K695 HydrophobicContact CB-CB 4.06Å; D691-K695 HydrophobicContact CB-CD 3.71Å; D691-K695 HydrophobicContact CB-CG 4.12Å; D691-K695 IonicContact OD1-NZ 3.86Å; D691-K695 PolarHBondContact OD1-NZ 3.44Å; K695-S697 VanDerWaalsContact C-N 3.26Å; K695-S697 PolarHBondContact O-N 2.52Å; K695-E698 PolarHBondContact O-N 3Å; K695-F699 PolarHBondContact O-N 2.9Å |
| 696 | A | 88.7 | Confident | 86.8 | Confident | 0 Ų | 0 | 72.7 Ų | 72.7 | 0% | 0 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -63.4 | -34.4 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | F684 I687 G692 E694 F699 I700 F712 | F684-A696 HydrophobicContact CE2-CB 3.87Å; F684-A696 HydrophobicContact CZ-CB 4.38Å; I687-A696 HydrophobicContact CG2-CB 4.14Å; G692-A696 WeakPolarHBondContact O-CB 3.45Å; G692-A696 PolarHBondContact O-N 3.04Å; E694-A696 VanDerWaalsContact C-N 3.26Å; E694-A696 PolarHBondContact O-N 2.92Å; A696-F699 PolarHBondContact O-N 2.56Å; A696-I700 WeakPolarHBondContact O-CD1 3.46Å; A696-I700 VanDerWaalsContact O-CG1 3.31Å; A696-I700 WeakPolarHBondContact O-CG1 3.46Å; A696-I700 PolarHBondContact O-N 3.08Å; A696-F712 HydrophobicContact CB-CD2 3.92Å; A696-F712 HydrophobicContact CB-CE2 3.77Å |
| 697 | S | 87.3 | Confident | 86.6 | Confident | 21 Ų | 21 | 69.5 Ų | 69.5 | 15% | 0.147 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -67.8 | -40.2 | 173.3 | -170.6 | 0 | 0 | 0 | 0 | 112.4 | L693 E694 K695 F699 I700 N701 | L693-S697 PolarHBondContact O-N 3.29Å; E694-S697 WeakPolarHBondContact O-CA 3.41Å; E694-S697 VanDerWaalsContact O-CB 3.27Å; E694-S697 WeakPolarHBondContact O-CB 3.42Å; E694-S697 PolarHBondContact O-N 3.07Å; K695-S697 VanDerWaalsContact C-N 3.26Å; K695-S697 PolarHBondContact O-N 2.52Å; S697-F699 VanDerWaalsContact C-N 3.34Å; S697-I700 PolarHBondContact O-N 3.35Å; S697-N701 PolarHBondContact O-N 2.74Å; S697-N701 PolarHBondContact O-ND2 3.3Å |
| 698 | E | 88.5 | Confident | 86.5 | Confident | 123 Ų | 123 | 68.1 Ų | 68.1 | 58% | 0.575 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -60.2 | -46 | 173.9 | -66.2 | 176.2 | 170.4 | 0 | 0 | 110.6 | E694 K695 I700 N701 D702 | E694-E698 PolarHBondContact O-N 3.13Å; E694-E698 VanDerWaalsContact O-N 3.13Å; K695-E698 PolarHBondContact O-N 3Å; E698-I700 VanDerWaalsContact C-N 3.32Å; E698-I700 PolarHBondContact O-N 3.39Å; E698-N701 WeakPolarHBondContact O-CB 3.27Å; E698-N701 PolarHBondContact O-N 2.61Å; E698-N701 VanDerWaalsContact O-N 3.1Å; E698-D702 PolarHBondContact O-N 2.66Å; E698-D702 VanDerWaalsContact O-N 3.09Å |
| 699 | F | 89.5 | Confident | 86.6 | Confident | 38 Ų | 38 | 68.1 Ų | 68.1 | 17% | 0.167 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -60.5 | -37.5 | 179 | -171.4 | -89 | 0 | 0 | 0 | 113.6 | F684 I687 K695 A696 S697 D702 N703 L708 | F684-F699 HydrophobicContact CB-CD1 4.17Å; F684-F699 HydrophobicContact CB-CE1 3.91Å; F684-F699 AromaticContact CD2-CD1 3.63Å; F684-F699 HydrophobicContact CD2-CD1 3.63Å; F684-F699 HydrophobicContact CD2-CE1 4.22Å; F684-F699 HydrophobicContact CD2-CG 4.37Å; F684-F699 HydrophobicContact CG-CD1 4.34Å; I687-F699 HydrophobicContact CD1-CB 4.33Å; I687-F699 HydrophobicContact CD1-CD2 3.57Å; I687-F699 HydrophobicContact CD1-CE2 4.02Å; I687-F699 HydrophobicContact CD1-CG 3.99Å; K695-F699 PolarHBondContact O-N 2.9Å; A696-F699 PolarHBondContact O-N 2.56Å; S697-F699 VanDerWaalsContact C-N 3.34Å; F699-D702 PolarHBondContact O-N 2.96Å; F699-N703 HydrophobicContact CE1-CB 4.39Å; F699-N703 PolarHBondContact O-N 3.17Å; F699-N703 PolarHBondContact O-ND2 3.03Å; F699-L708 HydrophobicContact CE1-CD1 4.26Å |
| 700 | I | 88.2 | Confident | 86.7 | Confident | 0 Ų | 0 | 63.7 Ų | 63.7 | 0% | 0 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -69.3 | -35.3 | 176.8 | -69.6 | 164.3 | 0 | 0 | 0 | 111.5 | F684 A696 S697 E698 D702 N703 P704 L708 R709 F712 | F684-I700 HydrophobicContact CD2-CG1 4.38Å; F684-I700 HydrophobicContact CE2-CD1 3.7Å; F684-I700 HydrophobicContact CE2-CG1 3.65Å; F684-I700 HydrophobicContact CZ-CD1 3.85Å; F684-I700 HydrophobicContact CZ-CG1 4.21Å; A696-I700 WeakPolarHBondContact O-CD1 3.46Å; A696-I700 VanDerWaalsContact O-CG1 3.31Å; A696-I700 WeakPolarHBondContact O-CG1 3.46Å; A696-I700 PolarHBondContact O-N 3.08Å; S697-I700 PolarHBondContact O-N 3.35Å; E698-I700 VanDerWaalsContact C-N 3.32Å; E698-I700 PolarHBondContact O-N 3.39Å; I700-D702 VanDerWaalsContact C-N 3.3Å; I700-N703 CarbonylContact O-C 3.59Å; I700-N703 PolarHBondContact O-N 3.38Å; I700-P704 WeakPolarHBondContact O-CA 3.37Å; I700-P704 VanDerWaalsContact O-N 3.16Å; I700-L708 HydrophobicContact CG1-CB 4.43Å; I700-R709 HydrophobicContact CG2-CG 3.75Å; I700-F712 HydrophobicContact CD1-CB 3.39Å; I700-F712 HydrophobicContact CD1-CD1 4.19Å; I700-F712 HydrophobicContact CD1-CD2 3.41Å; I700-F712 VanDerWaalsContact CD1-CD2 3.41Å; I700-F712 HydrophobicContact CD1-CE2 4.19Å; I700-F712 HydrophobicContact CD1-CG 3.39Å |
| 701 | N | 86.2 | Confident | 86.8 | Confident | 96 Ų | 96 | 57.2 Ų | 57.2 | 51% | 0.513 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -66.5 | -37.2 | 176.1 | -69.7 | -24.7 | 0 | 0 | 0 | 110.9 | S697 E698 | S697-N701 PolarHBondContact O-N 2.74Å; S697-N701 PolarHBondContact O-ND2 3.3Å; E698-N701 WeakPolarHBondContact O-CB 3.27Å; E698-N701 PolarHBondContact O-N 2.61Å; E698-N701 VanDerWaalsContact O-N 3.1Å |
| 702 | D | 87 | Confident | 87.1 | Confident | 129 Ų | 129 | 53.5 Ų | 53.5 | 69% | 0.69 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -73.5 | -30.2 | 175 | -67 | -18.3 | 0 | 0 | 0 | 112.8 | E698 F699 I700 | E698-D702 PolarHBondContact O-N 2.66Å; E698-D702 VanDerWaalsContact O-N 3.09Å; F699-D702 PolarHBondContact O-N 2.96Å; I700-D702 VanDerWaalsContact C-N 3.3Å |
| 703 | N | 84.4 | Confident | 87.4 | Confident | 43 Ų | 43 | 52.7 Ų | 52.7 | 23% | 0.23 | 27% | 0.267 | C | S | . | . | S | Bend | trans | -128.4 | 73.2 | -178.4 | -62.8 | -89.1 | 0 | 0 | 0 | 111.2 | F699 I700 H705 L708 | F699-N703 HydrophobicContact CE1-CB 4.39Å; F699-N703 PolarHBondContact O-N 3.17Å; F699-N703 PolarHBondContact O-ND2 3.03Å; I700-N703 CarbonylContact O-C 3.59Å; I700-N703 PolarHBondContact O-N 3.38Å; N703-H705 PolarHBondContact O-N 3.13Å; N703-H705 VanDerWaalsContact O-N 3.07Å; N703-L708 HydrophobicContact CB-CD1 4.19Å |
| 704 | P | 83.4 | Confident | 87.5 | Confident | 93 Ų | 93 | 55.7 Ų | 55.7 | 60% | 0.604 | 28% | 0.281 | S | S | * | . | trans | -66.9 | 112 | -177 | 26.2 | -33.7 | 0 | 0 | 0 | 110.8 | I700 | I700-P704 WeakPolarHBondContact O-CA 3.37Å; I700-P704 VanDerWaalsContact O-N 3.16Å | ||
| 705 | H | 85.2 | Confident | 87.6 | Confident | 34 Ų | 34 | 48.2 Ų | 48.2 | 16% | 0.157 | 25% | 0.247 | C | C | . | . | trans | -148.9 | 140.9 | 176.1 | -168.3 | -74.6 | 0 | 0 | 0 | 111.2 | L650 N703 K707 L708 R709 | L650-H705 HydrophobicContact CD1-CB 4.06Å; N703-H705 PolarHBondContact O-N 3.13Å; N703-H705 VanDerWaalsContact O-N 3.07Å; H705-K707 WeakPolarHBondContact ND1-CB 3.42Å; H705-K707 PolarHBondContact ND1-N 3.07Å; H705-K707 PolarHBondContact O-N 3.49Å; H705-L708 HydrophobicContact CB-CB 4.41Å; H705-L708 HydrophobicContact CB-CD1 4.12Å; H705-L708 HydrophobicContact CB-CG 4.15Å; H705-L708 PolarHBondContact O-N 2.82Å; H705-R709 PolarHBondContact O-N 3.33Å; H705-R709 VanDerWaalsContact O-N 3.11Å | ||
| 706 | T | 86 | Confident | 87.7 | Confident | 70 Ų | 70 | 43.2 Ų | 43.2 | 43% | 0.429 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -56 | -51.7 | -178 | 52.7 | 0 | 0 | 0 | 0 | 112.1 | L708 R709 H710 L732 | T706-L708 PolarHBondContact O-N 3.48Å; T706-R709 WeakPolarHBondContact O-CB 3.28Å; T706-R709 PolarHBondContact O-N 3.41Å; T706-R709 VanDerWaalsContact O-N 3.14Å; T706-H710 PolarHBondContact O-CD2 3.14Å; T706-H710 PolarHBondContact O-N 2.8Å; T706-L732 HydrophobicContact CG2-CD2 4.11Å |
| 707 | K | 84.8 | Confident | 87.8 | Confident | 37 Ų | 37 | 43.3 Ų | 43.3 | 16% | 0.161 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -56.3 | -43.5 | 176.5 | -172.6 | 173.9 | -170.1 | 163.7 | 0 | 114.6 | N649 E651 H705 R709 H710 L711 | N649-K707 HydrophobicContact CB-CB 4.27Å; N649-K707 HydrophobicContact CB-CD 3.91Å; N649-K707 WeakPolarHBondContact O-CD 3.39Å; N649-K707 WeakPolarHBondContact O-CE 3.28Å; N649-K707 PolarHBondContact O-NZ 2.91Å; E651-K707 IonicContact OE2-NZ 3.51Å; E651-K707 PolarHBondContact OE2-NZ 2.81Å; H705-K707 WeakPolarHBondContact ND1-CB 3.42Å; H705-K707 PolarHBondContact ND1-N 3.07Å; H705-K707 PolarHBondContact O-N 3.49Å; K707-R709 VanDerWaalsContact C-N 3.3Å; K707-R709 PolarHBondContact O-N 2.76Å; K707-H710 PolarHBondContact O-N 2.86Å; K707-L711 HydrophobicContact CG-CD1 4.3Å; K707-L711 WeakPolarHBondContact O-CG 3.43Å; K707-L711 PolarHBondContact O-N 3.43Å |
| 708 | L | 88.5 | Confident | 87.8 | Confident | 1 Ų | 1 | 48.1 Ų | 48.1 | 1% | 0.005 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -64.6 | -39.3 | 178.7 | -65.1 | 178.9 | 0 | 0 | 0 | 110.5 | L650 V681 F684 F699 I700 N703 H705 T706 L711 F712 | L650-L708 HydrophobicContact CD1-CD1 4.11Å; L650-L708 HydrophobicContact CD1-CD2 4.26Å; L650-L708 HydrophobicContact CD1-CG 3.91Å; V681-L708 HydrophobicContact CG2-CD2 4Å; F684-L708 HydrophobicContact CB-CD2 3.93Å; F684-L708 HydrophobicContact CD1-CD2 3.97Å; F684-L708 HydrophobicContact CG-CD2 3.9Å; F699-L708 HydrophobicContact CE1-CD1 4.26Å; I700-L708 HydrophobicContact CG1-CB 4.43Å; N703-L708 HydrophobicContact CB-CD1 4.19Å; H705-L708 HydrophobicContact CB-CB 4.41Å; H705-L708 HydrophobicContact CB-CD1 4.12Å; H705-L708 HydrophobicContact CB-CG 4.15Å; H705-L708 PolarHBondContact O-N 2.82Å; T706-L708 PolarHBondContact O-N 3.48Å; L708-L711 PolarHBondContact O-N 3.22Å; L708-F712 WeakPolarHBondContact O-CB 3.4Å; L708-F712 PolarHBondContact O-N 3.21Å |
| 709 | R | 89.8 | Confident | 87.7 | Confident | 31 Ų | 31 | 47.9 Ų | 47.9 | 12% | 0.117 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -64.1 | -41.8 | 173.4 | -68 | -177.8 | -171.4 | -88.2 | 1.2 | 112.2 | I700 H705 T706 K707 F712 I713 H731 L732 | I700-R709 HydrophobicContact CG2-CG 3.75Å; H705-R709 PolarHBondContact O-N 3.33Å; H705-R709 VanDerWaalsContact O-N 3.11Å; T706-R709 WeakPolarHBondContact O-CB 3.28Å; T706-R709 PolarHBondContact O-N 3.41Å; T706-R709 VanDerWaalsContact O-N 3.14Å; K707-R709 VanDerWaalsContact C-N 3.3Å; K707-R709 PolarHBondContact O-N 2.76Å; R709-F712 WeakPolarHBondContact O-CB 3.12Å; R709-F712 PolarHBondContact O-N 2.83Å; R709-I713 WeakPolarHBondContact O-CB 3.47Å; R709-I713 WeakPolarHBondContact O-CD1 3.39Å; R709-I713 VanDerWaalsContact O-CG1 3.23Å; R709-I713 WeakPolarHBondContact O-CG1 3.49Å; R709-I713 PolarHBondContact O-N 2.97Å; R709-H731 PolarHBondContact NH1-CD2 2.93Å; R709-L732 HydrophobicContact CB-CD1 4Å; R709-L732 HydrophobicContact CB-CD2 4Å; R709-L732 HydrophobicContact CB-CG 4.1Å |
| 710 | H | 88 | Confident | 87.6 | Confident | 64 Ų | 64 | 48.4 Ų | 48.4 | 30% | 0.296 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -61.1 | -47.9 | 174.1 | -76.1 | -66.6 | 0 | 0 | 0 | 112.3 | T706 K707 F712 I713 E714 E734 | T706-H710 PolarHBondContact O-CD2 3.14Å; T706-H710 PolarHBondContact O-N 2.8Å; K707-H710 PolarHBondContact O-N 2.86Å; H710-F712 PolarHBondContact O-N 2.98Å; H710-I713 WeakPolarHBondContact O-CB 3.48Å; H710-I713 PolarHBondContact O-N 3.1Å; H710-I713 VanDerWaalsContact O-N 3.13Å; H710-E714 WeakPolarHBondContact O-CG 3.42Å; H710-E714 PolarHBondContact O-N 3.43Å; H710-E734 IonicContact CE1-OE1 3.65Å; H710-E734 PolarHBondContact CE1-OE1 3.29Å; H710-E734 VanDerWaalsContact CE1-OE1 3.23Å; H710-E734 IonicContact CE1-OE2 3.38Å; H710-E734 PolarHBondContact CE1-OE2 3.23Å; H710-E734 IonicContact NE2-OE1 3.97Å |
| 711 | L | 87.7 | Confident | 87.6 | Confident | 33 Ų | 33 | 50.9 Ų | 50.9 | 17% | 0.173 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -59.9 | -36.2 | 176.1 | -70.9 | 172 | 0 | 0 | 0 | 112 | V681 F684 K707 L708 A715 | V681-L711 HydrophobicContact CG1-CD1 3.91Å; F684-L711 HydrophobicContact CD1-CB 4.26Å; F684-L711 HydrophobicContact CD1-CD1 4.35Å; F684-L711 HydrophobicContact CE1-CB 3.71Å; K707-L711 HydrophobicContact CG-CD1 4.3Å; K707-L711 WeakPolarHBondContact O-CG 3.43Å; K707-L711 PolarHBondContact O-N 3.43Å; L708-L711 PolarHBondContact O-N 3.22Å; L711-A715 PolarHBondContact O-N 3.03Å; L711-A715 VanDerWaalsContact O-N 3.14Å |
| 712 | F | 90.5 | Very high | 87.8 | Confident | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -66.9 | -45.4 | 173.8 | -171.1 | -95.3 | 0 | 0 | 0 | 112.5 | F684 L693 A696 I700 L708 R709 H710 E714 A715 C716 M724 Q728 | F684-F712 HydrophobicContact CE2-CD2 4.34Å; F684-F712 HydrophobicContact CZ-CB 3.81Å; F684-F712 AromaticContact CZ-CD2 3.93Å; F684-F712 HydrophobicContact CZ-CD2 3.93Å; F684-F712 HydrophobicContact CZ-CG 4.37Å; L693-F712 HydrophobicContact CB-CE2 4.46Å; L693-F712 HydrophobicContact CB-CZ 4.49Å; L693-F712 HydrophobicContact CD2-CE2 4.26Å; L693-F712 VanDerWaalsContact O-CE2 3.29Å; L693-F712 WeakPolarHBondContact O-CE2 3.31Å; A696-F712 HydrophobicContact CB-CD2 3.92Å; A696-F712 HydrophobicContact CB-CE2 3.77Å; I700-F712 HydrophobicContact CD1-CB 3.39Å; I700-F712 HydrophobicContact CD1-CD1 4.19Å; I700-F712 HydrophobicContact CD1-CD2 3.41Å; I700-F712 VanDerWaalsContact CD1-CD2 3.41Å; I700-F712 HydrophobicContact CD1-CE2 4.19Å; I700-F712 HydrophobicContact CD1-CG 3.39Å; L708-F712 WeakPolarHBondContact O-CB 3.4Å; L708-F712 PolarHBondContact O-N 3.21Å; R709-F712 WeakPolarHBondContact O-CB 3.12Å; R709-F712 PolarHBondContact O-N 2.83Å; H710-F712 PolarHBondContact O-N 2.98Å; F712-E714 VanDerWaalsContact C-N 3.29Å; F712-E714 PolarHBondContact O-N 3.11Å; F712-A715 PolarHBondContact O-N 3.07Å; F712-C716 VanDerWaalsContact CD1-SG 3.56Å; F712-C716 WeakPolarHBondContact CE1-SG 3.4Å; F712-C716 WeakPolarHBondContact O-CB 3.47Å; F712-C716 PolarHBondContact O-N 3.19Å; F712-C716 PolarHBondContact O-SG 3Å; F712-C716 VanDerWaalsContact O-SG 3.35Å; F712-M724 HydrophobicContact CE1-CB 4.28Å; F712-M724 HydrophobicContact CE1-CE 4.24Å; F712-M724 HydrophobicContact CZ-CE 3.81Å; F712-Q728 HydrophobicContact CD1-CG 3.6Å; F712-Q728 HydrophobicContact CE1-CG 3.76Å |
| 713 | I | 90.2 | Very high | 87.9 | Confident | 3 Ų | 3 | 47.9 Ų | 47.9 | 2% | 0.015 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -58.9 | -44.2 | 175.8 | -73.3 | 163.6 | 0 | 0 | 0 | 110.1 | R709 H710 A715 C716 L717 Q728 F729 L732 | R709-I713 WeakPolarHBondContact O-CB 3.47Å; R709-I713 WeakPolarHBondContact O-CD1 3.39Å; R709-I713 VanDerWaalsContact O-CG1 3.23Å; R709-I713 WeakPolarHBondContact O-CG1 3.49Å; R709-I713 PolarHBondContact O-N 2.97Å; H710-I713 WeakPolarHBondContact O-CB 3.48Å; H710-I713 PolarHBondContact O-N 3.1Å; H710-I713 VanDerWaalsContact O-N 3.13Å; I713-A715 VanDerWaalsContact C-N 3.35Å; I713-A715 PolarHBondContact O-N 3.03Å; I713-C716 PolarHBondContact O-N 2.91Å; I713-L717 HydrophobicContact CG2-CD1 3.85Å; I713-L717 HydrophobicContact CG2-CG 4.3Å; I713-L717 WeakPolarHBondContact O-CB 3.49Å; I713-L717 VanDerWaalsContact O-CG 3.28Å; I713-L717 WeakPolarHBondContact O-CG 3.47Å; I713-L717 PolarHBondContact O-N 2.69Å; I713-Q728 HydrophobicContact CD1-CB 3.79Å; I713-Q728 HydrophobicContact CG1-CB 3.53Å; I713-F729 HydrophobicContact CD1-CD1 3.8Å; I713-F729 HydrophobicContact CD1-CD2 4.47Å; I713-F729 HydrophobicContact CD1-CE1 3.96Å; I713-F729 HydrophobicContact CD1-CG 4.09Å; I713-F729 HydrophobicContact CD1-CZ 4.4Å; I713-F729 HydrophobicContact CG2-CD2 4.3Å; I713-F729 HydrophobicContact CG2-CE1 3.9Å; I713-F729 HydrophobicContact CG2-CE2 3.54Å; I713-F729 HydrophobicContact CG2-CZ 3.33Å; I713-L732 HydrophobicContact CD1-CD1 3.49Å; I713-L732 VanDerWaalsContact CD1-CD1 3.49Å |
| 714 | E | 89 | Confident | 88.2 | Confident | 87 Ų | 87 | 47.9 Ų | 47.9 | 41% | 0.407 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -54.9 | -51.3 | 175.7 | -73.3 | 178.1 | 172.4 | 0 | 0 | 110.8 | H710 F712 C716 L717 E718 F761 | H710-E714 WeakPolarHBondContact O-CG 3.42Å; H710-E714 PolarHBondContact O-N 3.43Å; F712-E714 VanDerWaalsContact C-N 3.29Å; F712-E714 PolarHBondContact O-N 3.11Å; E714-C716 PolarHBondContact O-N 3.11Å; E714-L717 PolarHBondContact O-N 2.86Å; E714-E718 WeakPolarHBondContact O-CG 3.43Å; E714-E718 PolarHBondContact O-N 3.12Å; E714-F761 HydrophobicContact CB-CE1 4.04Å; E714-F761 HydrophobicContact CB-CZ 4.07Å; E714-F761 HydrophobicContact CG-CD1 4.21Å; E714-F761 HydrophobicContact CG-CE1 3.6Å; E714-F761 HydrophobicContact CG-CZ 4.15Å |
| 715 | A | 89.2 | Confident | 88.5 | Confident | 5 Ų | 5 | 43.5 Ų | 43.5 | 4% | 0.041 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -64 | -38.3 | 177.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | L688 L693 L711 F712 I713 E718 K719 | L688-A715 HydrophobicContact CD1-CB 3.42Å; L688-A715 VanDerWaalsContact CD1-CB 3.42Å; L688-A715 HydrophobicContact CD2-CB 3.5Å; L688-A715 HydrophobicContact CG-CB 3.83Å; L693-A715 HydrophobicContact CD2-CB 4.2Å; L711-A715 PolarHBondContact O-N 3.03Å; L711-A715 VanDerWaalsContact O-N 3.14Å; F712-A715 PolarHBondContact O-N 3.07Å; I713-A715 VanDerWaalsContact C-N 3.35Å; I713-A715 PolarHBondContact O-N 3.03Å; A715-E718 PolarHBondContact O-N 2.78Å; A715-K719 WeakPolarHBondContact O-CB 3.4Å; A715-K719 PolarHBondContact O-N 3.47Å |
| 716 | C | 90.6 | Very high | 88.8 | Confident | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -63.4 | -43.9 | 175.6 | -76.3 | 0 | 0 | 0 | 0 | 111.1 | F712 I713 E714 K719 Q720 N721 A725 | F712-C716 VanDerWaalsContact CD1-SG 3.56Å; F712-C716 WeakPolarHBondContact CE1-SG 3.4Å; F712-C716 WeakPolarHBondContact O-CB 3.47Å; F712-C716 PolarHBondContact O-N 3.19Å; F712-C716 PolarHBondContact O-SG 3Å; F712-C716 VanDerWaalsContact O-SG 3.35Å; I713-C716 PolarHBondContact O-N 2.91Å; E714-C716 PolarHBondContact O-N 3.11Å; C716-K719 CarbonylContact O-C 3.55Å; C716-K719 PolarHBondContact O-N 3.29Å; C716-Q720 PolarHBondContact O-N 2.9Å; C716-N721 PolarHBondContact O-N 3.4Å; C716-A725 HydrophobicContact CB-CB 3.88Å |
| 717 | L | 90.6 | Very high | 89 | Confident | 1 Ų | 1 | 45.4 Ų | 45.4 | 1% | 0.005 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -66.9 | -42.2 | 177.3 | -70.7 | 174.3 | 0 | 0 | 0 | 111.3 | I713 E714 K719 Q720 L722 A725 F740 L744 I757 Y760 F761 | I713-L717 HydrophobicContact CG2-CD1 3.85Å; I713-L717 HydrophobicContact CG2-CG 4.3Å; I713-L717 WeakPolarHBondContact O-CB 3.49Å; I713-L717 VanDerWaalsContact O-CG 3.28Å; I713-L717 WeakPolarHBondContact O-CG 3.47Å; I713-L717 PolarHBondContact O-N 2.69Å; E714-L717 PolarHBondContact O-N 2.86Å; L717-K719 VanDerWaalsContact C-N 3.31Å; L717-K719 PolarHBondContact O-N 3.06Å; L717-Q720 WeakPolarHBondContact O-CA 3.23Å; L717-Q720 PolarHBondContact O-N 3.34Å; L717-L722 HydrophobicContact CD2-CD2 4.44Å; L717-A725 HydrophobicContact CD2-CB 4.15Å; L717-A725 HydrophobicContact CG-CB 4.34Å; L717-F740 HydrophobicContact CD1-CE1 4.47Å; L717-F740 HydrophobicContact CD2-CE1 4.49Å; L717-L744 HydrophobicContact CD2-CD1 4.11Å; L717-I757 HydrophobicContact CB-CG2 3.95Å; L717-I757 WeakPolarHBondContact O-CD1 3.44Å; L717-Y760 HydrophobicContact CD1-CD1 4.11Å; L717-Y760 HydrophobicContact CD1-CE1 4.11Å; L717-F761 HydrophobicContact CB-CE2 4.41Å; L717-F761 HydrophobicContact CB-CZ 3.75Å; L717-F761 HydrophobicContact CD1-CE1 4Å; L717-F761 HydrophobicContact CD1-CZ 3.94Å |
| 718 | E | 87.2 | Confident | 89.1 | Confident | 123 Ų | 123 | 44 Ų | 44 | 58% | 0.575 | 21% | 0.209 | S | C | * | . | H | α-helix | trans | -58.5 | -41.2 | 174.1 | -75.6 | -174.3 | 166.9 | 0 | 0 | 112.4 | E714 A715 Q720 F761 | E714-E718 WeakPolarHBondContact O-CG 3.43Å; E714-E718 PolarHBondContact O-N 3.12Å; A715-E718 PolarHBondContact O-N 2.78Å; E718-Q720 PolarHBondContact O-N 2.67Å; E718-F761 HydrophobicContact CG-CE2 3.9Å |
| 719 | K | 86.6 | Confident | 89.2 | Confident | 117 Ų | 117 | 43.9 Ų | 43.9 | 51% | 0.509 | 21% | 0.209 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.2 | 2 | 174.7 | -66.9 | -177.6 | -179 | 176.2 | 0 | 113.7 | L693 A715 C716 L717 N721 | L693-K719 HydrophobicContact CD1-CB 4.44Å; L693-K719 HydrophobicContact CD1-CD 3.96Å; L693-K719 HydrophobicContact CD2-CD 4.35Å; L693-K719 HydrophobicContact CG-CD 4.09Å; A715-K719 WeakPolarHBondContact O-CB 3.4Å; A715-K719 PolarHBondContact O-N 3.47Å; C716-K719 CarbonylContact O-C 3.55Å; C716-K719 PolarHBondContact O-N 3.29Å; L717-K719 VanDerWaalsContact C-N 3.31Å; L717-K719 PolarHBondContact O-N 3.06Å; K719-N721 PolarHBondContact O-N 3.19Å |
| 720 | Q | 85.7 | Confident | 89.2 | Confident | 49 Ų | 49 | 46.4 Ų | 46.4 | 23% | 0.229 | 23% | 0.228 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 55.9 | 26.7 | -176.3 | -55.1 | -170.9 | -5.1 | 0 | 0 | 115.1 | C716 L717 E718 L722 K750 I757 | C716-Q720 PolarHBondContact O-N 2.9Å; L717-Q720 WeakPolarHBondContact O-CA 3.23Å; L717-Q720 PolarHBondContact O-N 3.34Å; E718-Q720 PolarHBondContact O-N 2.67Å; Q720-L722 PolarHBondContact O-N 3.46Å; Q720-K750 PolarHBondContact NE2-O 3.36Å; Q720-I757 HydrophobicContact CG-CD1 4.43Å |
| 721 | N | 89.4 | Confident | 89.2 | Confident | 53 Ų | 53 | 48.6 Ų | 48.6 | 28% | 0.283 | 24% | 0.238 | S | C | . | . | trans | -84.1 | 88.3 | 172.5 | -171.1 | -23.2 | 0 | 0 | 0 | 109.9 | L693 C716 K719 E723 M724 A725 | L693-N721 HydrophobicContact CD1-CB 4.13Å; C716-N721 PolarHBondContact O-N 3.4Å; K719-N721 PolarHBondContact O-N 3.19Å; N721-E723 PolarHBondContact OD1-N 3.17Å; N721-M724 PolarHBondContact OD1-N 2.94Å; N721-A725 PolarHBondContact O-N 3.01Å | ||
| 722 | L | 89.7 | Confident | 89.1 | Confident | 18 Ų | 18 | 48.5 Ų | 48.5 | 9% | 0.094 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -71.5 | -30.1 | -174.8 | -58.4 | -179.1 | 0 | 0 | 0 | 113.3 | L717 Q720 E726 I741 L744 R745 | L717-L722 HydrophobicContact CD2-CD2 4.44Å; Q720-L722 PolarHBondContact O-N 3.46Å; L722-E726 WeakPolarHBondContact O-CB 3.3Å; L722-E726 PolarHBondContact O-N 3.35Å; L722-I741 HydrophobicContact CB-CG2 4.32Å; L722-L744 HydrophobicContact CD1-CB 4.48Å; L722-L744 HydrophobicContact CD2-CB 4.32Å; L722-L744 HydrophobicContact CD2-CD1 3.94Å; L722-R745 HydrophobicContact CD1-CG 4Å |
| 723 | E | 90.5 | Very high | 88.9 | Confident | 143 Ų | 143 | 56.8 Ų | 56.8 | 67% | 0.668 | 28% | 0.276 | S | S | * | . | H | α-helix | trans | -68.1 | -49.4 | -177.4 | -66.2 | 176.7 | -177.3 | 0 | 0 | 111 | N721 A725 E726 L727 | N721-E723 PolarHBondContact OD1-N 3.17Å; E723-A725 VanDerWaalsContact C-N 3.35Å; E723-A725 PolarHBondContact O-N 3.42Å; E723-E726 PolarHBondContact O-N 2.9Å; E723-L727 WeakPolarHBondContact O-CG 3.47Å; E723-L727 PolarHBondContact O-N 3.2Å; E723-L727 VanDerWaalsContact O-N 3.16Å |
| 724 | M | 89.2 | Confident | 88.8 | Confident | 44 Ų | 44 | 59.5 Ų | 59.5 | 22% | 0.217 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -66.2 | -37.3 | 177.5 | -68.1 | -65.4 | -77.6 | 0 | 0 | 111.9 | F712 N721 L727 Q728 | F712-M724 HydrophobicContact CE1-CB 4.28Å; F712-M724 HydrophobicContact CE1-CE 4.24Å; F712-M724 HydrophobicContact CZ-CE 3.81Å; N721-M724 PolarHBondContact OD1-N 2.94Å; M724-L727 HydrophobicContact SD-CD1 4.34Å; M724-Q728 WeakPolarHBondContact O-CG 3.49Å; M724-Q728 PolarHBondContact O-N 3.4Å |
| 725 | A | 90.3 | Very high | 88.8 | Confident | 0 Ų | 0 | 62.9 Ų | 62.9 | 0% | 0 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -63.2 | -42 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | C716 L717 N721 E723 Q728 F729 I741 | C716-A725 HydrophobicContact CB-CB 3.88Å; L717-A725 HydrophobicContact CD2-CB 4.15Å; L717-A725 HydrophobicContact CG-CB 4.34Å; N721-A725 PolarHBondContact O-N 3.01Å; E723-A725 VanDerWaalsContact C-N 3.35Å; E723-A725 PolarHBondContact O-N 3.42Å; A725-Q728 PolarHBondContact O-N 3.37Å; A725-F729 VanDerWaalsContact O-CD2 3.22Å; A725-F729 WeakPolarHBondContact O-CD2 3.25Å; A725-F729 PolarHBondContact O-N 3.45Å; A725-I741 HydrophobicContact CB-CD1 3.74Å |
| 726 | E | 90.6 | Very high | 88.7 | Confident | 44 Ų | 44 | 66.5 Ų | 66.5 | 21% | 0.206 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -64.4 | -44.5 | 179.8 | -171.4 | 172 | -173.7 | 0 | 0 | 111.8 | L722 E723 Q728 F729 V730 I741 R745 | L722-E726 WeakPolarHBondContact O-CB 3.3Å; L722-E726 PolarHBondContact O-N 3.35Å; E723-E726 PolarHBondContact O-N 2.9Å; E726-Q728 PolarHBondContact O-N 2.96Å; E726-F729 PolarHBondContact O-N 2.84Å; E726-V730 VanDerWaalsContact O-CG2 3.3Å; E726-V730 WeakPolarHBondContact O-CG2 3.26Å; E726-V730 PolarHBondContact O-N 3.45Å; E726-I741 VanDerWaalsContact CA-CD1 3.41Å; E726-I741 HydrophobicContact CB-CD1 3.72Å; E726-I741 HydrophobicContact CB-CG2 4.31Å; E726-I741 HydrophobicContact CG-CD1 4.46Å; E726-R745 IonicContact OE2-CZ 2.68Å; E726-R745 VanDerWaalsContact OE2-CZ 3.28Å; E726-R745 IonicContact OE2-NE 2.98Å; E726-R745 IonicContact OE2-NH1 3.78Å; E726-R745 IonicContact OE2-NH2 3.2Å; E726-R745 PolarHBondContact OE2-NH2 3.15Å |
| 727 | L | 90.5 | Very high | 88.6 | Confident | 101 Ų | 101 | 66.5 Ų | 66.5 | 53% | 0.529 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -55.9 | -40.7 | 175.5 | -71.9 | 173.1 | 0 | 0 | 0 | 111.7 | E723 M724 V730 H731 | E723-L727 WeakPolarHBondContact O-CG 3.47Å; E723-L727 PolarHBondContact O-N 3.2Å; E723-L727 VanDerWaalsContact O-N 3.16Å; M724-L727 HydrophobicContact SD-CD1 4.34Å; L727-V730 PolarHBondContact O-N 3.35Å; L727-H731 PolarHBondContact O-CD2 3.27Å; L727-H731 PolarHBondContact O-N 2.87Å; L727-H731 VanDerWaalsContact O-N 3.1Å |
| 728 | Q | 87.8 | Confident | 88.5 | Confident | 6 Ų | 6 | 67.8 Ų | 67.8 | 3% | 0.028 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -75.8 | -36 | -179.3 | -62.5 | -59.6 | -29.3 | 0 | 0 | 113.2 | F712 I713 M724 A725 E726 V730 H731 L732 | F712-Q728 HydrophobicContact CD1-CG 3.6Å; F712-Q728 HydrophobicContact CE1-CG 3.76Å; I713-Q728 HydrophobicContact CD1-CB 3.79Å; I713-Q728 HydrophobicContact CG1-CB 3.53Å; M724-Q728 WeakPolarHBondContact O-CG 3.49Å; M724-Q728 PolarHBondContact O-N 3.4Å; A725-Q728 PolarHBondContact O-N 3.37Å; E726-Q728 PolarHBondContact O-N 2.96Å; Q728-V730 VanDerWaalsContact C-N 3.28Å; Q728-V730 PolarHBondContact O-N 3.09Å; Q728-H731 WeakPolarHBondContact O-CB 3.38Å; Q728-H731 PolarHBondContact O-N 3.09Å; Q728-L732 PolarHBondContact O-N 3.47Å |
| 729 | F | 90.5 | Very high | 88.6 | Confident | 0 Ų | 0 | 65.5 Ų | 65.5 | 0% | 0 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -63.5 | -35.4 | 170.5 | -78.7 | -60.1 | 0 | 0 | 0 | 112.4 | I713 A725 E726 H731 L732 Q733 E734 I738 I741 Y760 | I713-F729 HydrophobicContact CD1-CD1 3.8Å; I713-F729 HydrophobicContact CD1-CD2 4.47Å; I713-F729 HydrophobicContact CD1-CE1 3.96Å; I713-F729 HydrophobicContact CD1-CG 4.09Å; I713-F729 HydrophobicContact CD1-CZ 4.4Å; I713-F729 HydrophobicContact CG2-CD2 4.3Å; I713-F729 HydrophobicContact CG2-CE1 3.9Å; I713-F729 HydrophobicContact CG2-CE2 3.54Å; I713-F729 HydrophobicContact CG2-CZ 3.33Å; A725-F729 VanDerWaalsContact O-CD2 3.22Å; A725-F729 WeakPolarHBondContact O-CD2 3.25Å; A725-F729 PolarHBondContact O-N 3.45Å; E726-F729 PolarHBondContact O-N 2.84Å; F729-H731 VanDerWaalsContact C-N 3.34Å; F729-L732 CarbonylContact O-C 3.52Å; F729-L732 PolarHBondContact O-N 2.76Å; F729-Q733 PolarHBondContact O-N 3.3Å; F729-E734 HydrophobicContact CD1-CB 3.98Å; F729-E734 WeakPolarHBondContact CD1-OE2 3.04Å; F729-E734 WeakPolarHBondContact CE1-OE2 3.31Å; F729-E734 PolarHBondContact O-N 3.04Å; F729-E734 VanDerWaalsContact O-N 3.16Å; F729-I738 HydrophobicContact CB-CG1 3.89Å; F729-I741 HydrophobicContact CD2-CD1 3.51Å; F729-I741 HydrophobicContact CD2-CG1 4.31Å; F729-I741 HydrophobicContact CE2-CD1 3.8Å; F729-I741 HydrophobicContact CE2-CG1 4.24Å; F729-Y760 HydrophobicContact CZ-CE1 4.38Å; F729-Y760 WeakPolarHBondContact CZ-OH 3.25Å |
| 730 | V | 89.7 | Confident | 88.8 | Confident | 83 Ų | 83 | 61.1 Ų | 61.1 | 50% | 0.503 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -62.8 | -42.5 | 172.8 | 171.3 | 0 | 0 | 0 | 0 | 110.6 | E726 L727 Q728 L732 Q733 I738 | E726-V730 VanDerWaalsContact O-CG2 3.3Å; E726-V730 WeakPolarHBondContact O-CG2 3.26Å; E726-V730 PolarHBondContact O-N 3.45Å; L727-V730 PolarHBondContact O-N 3.35Å; Q728-V730 VanDerWaalsContact C-N 3.28Å; Q728-V730 PolarHBondContact O-N 3.09Å; V730-L732 VanDerWaalsContact C-N 3.3Å; V730-L732 PolarHBondContact O-N 3.29Å; V730-Q733 PolarHBondContact O-N 3.39Å; V730-I738 HydrophobicContact CG2-CD1 3.87Å; V730-I738 HydrophobicContact CG2-CG1 4.39Å |
| 731 | H | 86.9 | Confident | 89 | Confident | 111 Ų | 111 | 58.8 Ų | 58.8 | 51% | 0.514 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -62.9 | -33.6 | 173.9 | -76.5 | -61.5 | 0 | 0 | 0 | 113.6 | R709 L727 Q728 F729 Q733 | R709-H731 PolarHBondContact NH1-CD2 2.93Å; L727-H731 PolarHBondContact O-CD2 3.27Å; L727-H731 PolarHBondContact O-N 2.87Å; L727-H731 VanDerWaalsContact O-N 3.1Å; Q728-H731 WeakPolarHBondContact O-CB 3.38Å; Q728-H731 PolarHBondContact O-N 3.09Å; F729-H731 VanDerWaalsContact C-N 3.34Å; H731-Q733 VanDerWaalsContact C-N 3.34Å |
| 732 | L | 85.5 | Confident | 89 | Confident | 31 Ų | 31 | 61 Ų | 61 | 16% | 0.162 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -82.9 | -7.2 | 176.3 | -68.6 | 175.5 | 0 | 0 | 0 | 113.9 | T706 R709 I713 Q728 F729 V730 E734 | T706-L732 HydrophobicContact CG2-CD2 4.11Å; R709-L732 HydrophobicContact CB-CD1 4Å; R709-L732 HydrophobicContact CB-CD2 4Å; R709-L732 HydrophobicContact CB-CG 4.1Å; I713-L732 HydrophobicContact CD1-CD1 3.49Å; I713-L732 VanDerWaalsContact CD1-CD1 3.49Å; Q728-L732 PolarHBondContact O-N 3.47Å; F729-L732 CarbonylContact O-C 3.52Å; F729-L732 PolarHBondContact O-N 2.76Å; V730-L732 VanDerWaalsContact C-N 3.3Å; V730-L732 PolarHBondContact O-N 3.29Å; L732-E734 HydrophobicContact CB-CG 4.04Å; L732-E734 PolarHBondContact O-N 3.29Å |
| 733 | Q | 87.9 | Confident | 89 | Confident | 174 Ų | 174 | 66.4 Ų | 66.4 | 81% | 0.813 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.5 | 26.6 | -173 | -55.6 | -178 | 3.9 | 0 | 0 | 114 | F729 V730 H731 Y735 | F729-Q733 PolarHBondContact O-N 3.3Å; V730-Q733 PolarHBondContact O-N 3.39Å; H731-Q733 VanDerWaalsContact C-N 3.34Å; Q733-Y735 PolarHBondContact O-N 3.42Å |
| 734 | E | 86.9 | Confident | 89 | Confident | 60 Ų | 60 | 59.7 Ų | 59.7 | 28% | 0.28 | 29% | 0.285 | S | S | . | . | trans | -86.7 | 93 | -179.9 | -73.9 | -167.6 | 154.8 | 0 | 0 | 111.7 | H710 F729 L732 S736 G737 I738 | H710-E734 IonicContact CE1-OE1 3.65Å; H710-E734 PolarHBondContact CE1-OE1 3.29Å; H710-E734 VanDerWaalsContact CE1-OE1 3.23Å; H710-E734 IonicContact CE1-OE2 3.38Å; H710-E734 PolarHBondContact CE1-OE2 3.23Å; H710-E734 IonicContact NE2-OE1 3.97Å; F729-E734 HydrophobicContact CD1-CB 3.98Å; F729-E734 WeakPolarHBondContact CD1-OE2 3.04Å; F729-E734 WeakPolarHBondContact CE1-OE2 3.31Å; F729-E734 PolarHBondContact O-N 3.04Å; F729-E734 VanDerWaalsContact O-N 3.16Å; L732-E734 HydrophobicContact CB-CG 4.04Å; L732-E734 PolarHBondContact O-N 3.29Å; E734-S736 VanDerWaalsContact C-N 3.26Å; E734-S736 PolarHBondContact O-N 2.88Å; E734-G737 PolarHBondContact O-N 3Å; E734-I738 PolarHBondContact O-N 3.35Å | ||
| 735 | Y | 88.5 | Confident | 89 | Confident | 157 Ų | 157 | 63.7 Ų | 63.7 | 62% | 0.616 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -59.5 | -35.2 | -179.5 | -173.3 | -99 | 0 | 0 | 0 | 113.5 | Q733 I738 Q739 | Q733-Y735 PolarHBondContact O-N 3.42Å; Y735-I738 PolarHBondContact O-N 2.81Å; Y735-Q739 HydrophobicContact CD1-CG 3.93Å; Y735-Q739 HydrophobicContact CE1-CG 3.51Å; Y735-Q739 VanDerWaalsContact CZ-NE2 3.25Å; Y735-Q739 WeakPolarHBondContact O-CG 3.34Å; Y735-Q739 PolarHBondContact O-N 3.28Å; Y735-Q739 PolarHBondContact OH-NE2 3.34Å |
| 736 | S | 88.5 | Confident | 88.9 | Confident | 82 Ų | 82 | 70.3 Ų | 70.3 | 57% | 0.573 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -60.5 | -43.9 | 176.9 | 50.3 | 0 | 0 | 0 | 0 | 112 | E734 Q739 F740 | E734-S736 VanDerWaalsContact C-N 3.26Å; E734-S736 PolarHBondContact O-N 2.88Å; S736-Q739 PolarHBondContact O-N 3.2Å; S736-F740 WeakPolarHBondContact O-CB 2.81Å; S736-F740 PolarHBondContact O-N 3.14Å |
| 737 | G | 87.8 | Confident | 88.8 | Confident | 0 Ų | 0 | 69.6 Ų | 69.6 | 0% | 0 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -64.7 | -39.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | E734 F740 I741 | E734-G737 PolarHBondContact O-N 3Å; G737-F740 WeakPolarHBondContact O-CB 3.48Å; G737-F740 PolarHBondContact O-N 3.07Å; G737-I741 PolarHBondContact O-N 2.97Å |
| 738 | I | 88.4 | Confident | 88.4 | Confident | 27 Ų | 27 | 73.7 Ų | 73.7 | 14% | 0.138 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -64.3 | -44.4 | 176 | -60.7 | 169.7 | 0 | 0 | 0 | 110.8 | F729 V730 E734 Y735 F740 I741 K742 | F729-I738 HydrophobicContact CB-CG1 3.89Å; V730-I738 HydrophobicContact CG2-CD1 3.87Å; V730-I738 HydrophobicContact CG2-CG1 4.39Å; E734-I738 PolarHBondContact O-N 3.35Å; Y735-I738 PolarHBondContact O-N 2.81Å; I738-F740 VanDerWaalsContact C-N 3.3Å; I738-F740 PolarHBondContact O-N 2.82Å; I738-I741 PolarHBondContact O-N 3.28Å; I738-K742 WeakPolarHBondContact O-CG 3.44Å; I738-K742 PolarHBondContact O-N 3.33Å |
| 739 | Q | 89.3 | Confident | 88.4 | Confident | 76 Ų | 76 | 75.7 Ų | 75.7 | 36% | 0.355 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -64 | -37.7 | 175.7 | -73.7 | -64.9 | -8.5 | 0 | 0 | 112.1 | Y735 S736 K742 R743 | Y735-Q739 HydrophobicContact CD1-CG 3.93Å; Y735-Q739 HydrophobicContact CE1-CG 3.51Å; Y735-Q739 VanDerWaalsContact CZ-NE2 3.25Å; Y735-Q739 WeakPolarHBondContact O-CG 3.34Å; Y735-Q739 PolarHBondContact O-N 3.28Å; Y735-Q739 PolarHBondContact OH-NE2 3.34Å; S736-Q739 PolarHBondContact O-N 3.2Å; Q739-K742 PolarHBondContact O-N 2.84Å; Q739-R743 PolarHBondContact O-N 3.21Å |
| 740 | F | 90.9 | Very high | 88.2 | Confident | 24 Ų | 24 | 83 Ų | 83 | 11% | 0.105 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -60.6 | -44.8 | 174.1 | -179.8 | -116 | 0 | 0 | 0 | 111.7 | L717 S736 G737 I738 K742 R743 L744 I757 Y760 | L717-F740 HydrophobicContact CD1-CE1 4.47Å; L717-F740 HydrophobicContact CD2-CE1 4.49Å; S736-F740 WeakPolarHBondContact O-CB 2.81Å; S736-F740 PolarHBondContact O-N 3.14Å; G737-F740 WeakPolarHBondContact O-CB 3.48Å; G737-F740 PolarHBondContact O-N 3.07Å; I738-F740 VanDerWaalsContact C-N 3.3Å; I738-F740 PolarHBondContact O-N 2.82Å; F740-K742 PolarHBondContact O-N 2.86Å; F740-R743 WeakPolarHBondContact O-CB 3.46Å; F740-R743 PolarHBondContact O-N 2.89Å; F740-R743 VanDerWaalsContact O-N 3.15Å; F740-L744 HydrophobicContact CD1-CD1 3.96Å; F740-L744 HydrophobicContact CD1-CG 4.41Å; F740-L744 HydrophobicContact CE1-CD1 3.48Å; F740-L744 VanDerWaalsContact CE1-CD1 3.48Å; F740-L744 HydrophobicContact CE1-CD2 4.39Å; F740-L744 HydrophobicContact CE1-CG 4.06Å; F740-L744 HydrophobicContact CE2-CD1 4.48Å; F740-L744 HydrophobicContact CE2-CD2 4.05Å; F740-L744 HydrophobicContact CE2-CG 4.19Å; F740-L744 HydrophobicContact CZ-CD1 3.76Å; F740-L744 HydrophobicContact CZ-CD2 3.8Å; F740-L744 HydrophobicContact CZ-CG 3.92Å; F740-L744 WeakPolarHBondContact O-CG 3.5Å; F740-L744 PolarHBondContact O-N 2.99Å; F740-I757 HydrophobicContact CE1-CG1 4.47Å; F740-I757 HydrophobicContact CZ-CG1 4.34Å; F740-Y760 HydrophobicContact CB-CE2 4.4Å; F740-Y760 HydrophobicContact CD1-CD1 4.47Å; F740-Y760 AromaticContact CD1-CD2 3.63Å; F740-Y760 HydrophobicContact CD1-CD2 3.63Å; F740-Y760 AromaticContact CD1-CE2 3.91Å; F740-Y760 HydrophobicContact CD1-CE2 3.91Å; F740-Y760 AromaticContact CD1-CG 3.94Å; F740-Y760 HydrophobicContact CD1-CG 3.94Å; F740-Y760 HydrophobicContact CD2-CD2 4.05Å; F740-Y760 HydrophobicContact CE1-CD1 4.09Å; F740-Y760 AromaticContact CE1-CD2 3.7Å; F740-Y760 HydrophobicContact CE1-CD2 3.7Å; F740-Y760 HydrophobicContact CE1-CE2 4.36Å; F740-Y760 AromaticContact CE1-CG 3.54Å; F740-Y760 HydrophobicContact CE1-CG 3.54Å; F740-Y760 HydrophobicContact CE2-CD2 4.13Å; F740-Y760 HydrophobicContact CE2-CG 4.37Å; F740-Y760 AromaticContact CG-CD2 3.82Å; F740-Y760 HydrophobicContact CG-CD2 3.82Å; F740-Y760 HydrophobicContact CG-CE2 4.1Å; F740-Y760 VanDerWaalsContact CZ-CB 3.43Å; F740-Y760 AromaticContact CZ-CD2 3.96Å; F740-Y760 HydrophobicContact CZ-CD2 3.96Å; F740-Y760 AromaticContact CZ-CG 3.8Å; F740-Y760 HydrophobicContact CZ-CG 3.8Å |
| 741 | I | 90.5 | Very high | 88.1 | Confident | 0 Ų | 0 | 82.9 Ų | 82.9 | 0% | 0 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -62.5 | -42.1 | 175.5 | -70.3 | 177.8 | 0 | 0 | 0 | 112 | L722 A725 E726 F729 G737 I738 R743 L744 R745 | L722-I741 HydrophobicContact CB-CG2 4.32Å; A725-I741 HydrophobicContact CB-CD1 3.74Å; E726-I741 VanDerWaalsContact CA-CD1 3.41Å; E726-I741 HydrophobicContact CB-CD1 3.72Å; E726-I741 HydrophobicContact CB-CG2 4.31Å; E726-I741 HydrophobicContact CG-CD1 4.46Å; F729-I741 HydrophobicContact CD2-CD1 3.51Å; F729-I741 HydrophobicContact CD2-CG1 4.31Å; F729-I741 HydrophobicContact CE2-CD1 3.8Å; F729-I741 HydrophobicContact CE2-CG1 4.24Å; G737-I741 PolarHBondContact O-N 2.97Å; I738-I741 PolarHBondContact O-N 3.28Å; I741-R743 VanDerWaalsContact C-N 3.26Å; I741-R743 PolarHBondContact O-N 3.08Å; I741-L744 PolarHBondContact O-N 3.22Å; I741-L744 VanDerWaalsContact O-N 3.13Å; I741-R745 WeakPolarHBondContact O-CG 3.37Å; I741-R745 PolarHBondContact O-N 2.8Å |
| 742 | K | 89.2 | Confident | 88.1 | Confident | 100 Ų | 100 | 79.7 Ų | 79.7 | 44% | 0.435 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -58.4 | -40.7 | 174.6 | -71.8 | 178.1 | -178.8 | 178.5 | 0 | 111.5 | I738 Q739 F740 R745 | I738-K742 WeakPolarHBondContact O-CG 3.44Å; I738-K742 PolarHBondContact O-N 3.33Å; Q739-K742 PolarHBondContact O-N 2.84Å; F740-K742 PolarHBondContact O-N 2.86Å; K742-R745 PolarHBondContact O-N 2.7Å |
| 743 | R | 89.7 | Confident | 88.3 | Confident | 132 Ų | 132 | 80.3 Ų | 80.3 | 50% | 0.498 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -63.7 | -44.4 | 173.6 | -172.1 | 179.1 | 178.5 | 170.6 | -0.3 | 111.8 | Q739 F740 I741 R745 N746 | Q739-R743 PolarHBondContact O-N 3.21Å; F740-R743 WeakPolarHBondContact O-CB 3.46Å; F740-R743 PolarHBondContact O-N 2.89Å; F740-R743 VanDerWaalsContact O-N 3.15Å; I741-R743 VanDerWaalsContact C-N 3.26Å; I741-R743 PolarHBondContact O-N 3.08Å; R743-R745 VanDerWaalsContact C-N 3.32Å; R743-R745 PolarHBondContact O-N 3.33Å; R743-N746 PolarHBondContact O-N 2.87Å |
| 744 | L | 89.9 | Confident | 88.4 | Confident | 1 Ų | 1 | 77.1 Ų | 77.1 | 1% | 0.005 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -63.6 | -33.6 | 178.5 | -67.7 | 178.5 | 0 | 0 | 0 | 113.2 | L717 L722 F740 I741 N746 I747 R753 E756 I757 | L717-L744 HydrophobicContact CD2-CD1 4.11Å; L722-L744 HydrophobicContact CD1-CB 4.48Å; L722-L744 HydrophobicContact CD2-CB 4.32Å; L722-L744 HydrophobicContact CD2-CD1 3.94Å; F740-L744 HydrophobicContact CD1-CD1 3.96Å; F740-L744 HydrophobicContact CD1-CG 4.41Å; F740-L744 HydrophobicContact CE1-CD1 3.48Å; F740-L744 VanDerWaalsContact CE1-CD1 3.48Å; F740-L744 HydrophobicContact CE1-CD2 4.39Å; F740-L744 HydrophobicContact CE1-CG 4.06Å; F740-L744 HydrophobicContact CE2-CD1 4.48Å; F740-L744 HydrophobicContact CE2-CD2 4.05Å; F740-L744 HydrophobicContact CE2-CG 4.19Å; F740-L744 HydrophobicContact CZ-CD1 3.76Å; F740-L744 HydrophobicContact CZ-CD2 3.8Å; F740-L744 HydrophobicContact CZ-CG 3.92Å; F740-L744 WeakPolarHBondContact O-CG 3.5Å; F740-L744 PolarHBondContact O-N 2.99Å; I741-L744 PolarHBondContact O-N 3.22Å; I741-L744 VanDerWaalsContact O-N 3.13Å; L744-N746 VanDerWaalsContact C-N 3.28Å; L744-N746 PolarHBondContact O-N 3.34Å; L744-I747 HydrophobicContact CD2-CD1 4.39Å; L744-I747 PolarHBondContact O-N 3.47Å; L744-R753 HydrophobicContact CB-CG 4.23Å; L744-R753 HydrophobicContact CD2-CG 3.8Å; L744-R753 HydrophobicContact CG-CG 4.45Å; L744-R753 PolarHBondContact O-NE 2.93Å; L744-R753 VanDerWaalsContact O-NE 3.16Å; L744-E756 HydrophobicContact CD2-CB 3.91Å; L744-I757 HydrophobicContact CD1-CD1 4.12Å; L744-I757 HydrophobicContact CD1-CG1 3.8Å; L744-I757 HydrophobicContact CD2-CG1 4.11Å |
| 745 | R | 89.6 | Confident | 88.5 | Confident | 128 Ų | 128 | 74.5 Ų | 74.5 | 48% | 0.483 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -63.3 | -32.6 | 175.4 | -74.1 | -179.9 | -178.9 | -157.7 | -3.1 | 112.5 | L722 E726 I741 K742 R743 I747 | L722-R745 HydrophobicContact CD1-CG 4Å; E726-R745 IonicContact OE2-CZ 2.68Å; E726-R745 VanDerWaalsContact OE2-CZ 3.28Å; E726-R745 IonicContact OE2-NE 2.98Å; E726-R745 IonicContact OE2-NH1 3.78Å; E726-R745 IonicContact OE2-NH2 3.2Å; E726-R745 PolarHBondContact OE2-NH2 3.15Å; I741-R745 WeakPolarHBondContact O-CG 3.37Å; I741-R745 PolarHBondContact O-N 2.8Å; K742-R745 PolarHBondContact O-N 2.7Å; R743-R745 VanDerWaalsContact C-N 3.32Å; R743-R745 PolarHBondContact O-N 3.33Å; R745-I747 VanDerWaalsContact C-N 3.31Å; R745-I747 PolarHBondContact O-N 3.29Å |
| 746 | N | 89.2 | Confident | 88.6 | Confident | 140 Ų | 140 | 68 Ų | 68 | 75% | 0.749 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -76.1 | -17 | 177.7 | -68.9 | -12.8 | 0 | 0 | 0 | 113.3 | R743 L744 Q748 | R743-N746 PolarHBondContact O-N 2.87Å; L744-N746 VanDerWaalsContact C-N 3.28Å; L744-N746 PolarHBondContact O-N 3.34Å; N746-Q748 PolarHBondContact O-N 2.86Å |
| 747 | I | 87.7 | Confident | 88.7 | Confident | 29 Ų | 29 | 64.4 Ų | 64.4 | 15% | 0.149 | 30% | 0.297 | C | S | . | . | trans | -86 | 111.4 | 179.3 | -60.1 | 172.3 | 0 | 0 | 0 | 109.2 | L744 R745 I752 R753 E756 | L744-I747 HydrophobicContact CD2-CD1 4.39Å; L744-I747 PolarHBondContact O-N 3.47Å; R745-I747 VanDerWaalsContact C-N 3.31Å; R745-I747 PolarHBondContact O-N 3.29Å; I747-I752 HydrophobicContact CD1-CG2 4.4Å; I747-I752 HydrophobicContact CG2-CB 3.77Å; I747-I752 HydrophobicContact CG2-CG2 3.73Å; I747-R753 HydrophobicContact CG2-CB 4.3Å; I747-R753 PolarHBondContact O-NE 2.72Å; I747-R753 PolarHBondContact O-NH2 2.89Å; I747-E756 HydrophobicContact CD1-CG 3.87Å | ||
| 748 | Q | 82.9 | Confident | 88.8 | Confident | 187 Ų | 187 | 65.3 Ų | 65.3 | 87% | 0.874 | 30% | 0.302 | S | S | * | . | trans | -73.4 | -35.2 | -179.5 | -65.6 | -179 | -7.6 | 0 | 0 | 113.1 | N746 K750 | N746-Q748 PolarHBondContact O-N 2.86Å; Q748-K750 PolarHBondContact O-N 3.43Å | ||
| 749 | S | 86.4 | Confident | 88.8 | Confident | 47 Ų | 47 | 65.2 Ų | 65.2 | 33% | 0.329 | 30% | 0.302 | S | S | . | . | trans | -76 | 120.6 | -178.5 | 176.2 | 0 | 0 | 0 | 0 | 111.6 | L751 I752 R753 | S749-L751 PolarHBondContact O-N 3.29Å; S749-L751 PolarHBondContact OG-N 3.1Å; S749-I752 PolarHBondContact O-N 2.9Å; S749-I752 PolarHBondContact OG-N 3.43Å; S749-R753 WeakPolarHBondContact O-CB 3.23Å; S749-R753 PolarHBondContact O-N 2.79Å | ||
| 750 | K | 86.6 | Confident | 88.7 | Confident | 155 Ų | 155 | 65.5 Ų | 65.5 | 67% | 0.674 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -60.3 | -31.8 | 174.6 | -66.6 | -171.7 | -178.5 | -177.8 | 0 | 112.7 | Q720 Q748 K754 | Q720-K750 PolarHBondContact NE2-O 3.36Å; Q748-K750 PolarHBondContact O-N 3.43Å; K750-K754 WeakPolarHBondContact O-CB 3.28Å; K750-K754 PolarHBondContact O-N 2.89Å |
| 751 | L | 87.1 | Confident | 88.5 | Confident | 80 Ų | 80 | 66 Ų | 66 | 42% | 0.419 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -68.3 | -50.6 | 178.1 | -70.3 | 171.3 | 0 | 0 | 0 | 111.1 | S749 R753 K754 A755 N774 | S749-L751 PolarHBondContact O-N 3.29Å; S749-L751 PolarHBondContact OG-N 3.1Å; L751-R753 VanDerWaalsContact C-N 3.28Å; L751-R753 PolarHBondContact O-N 3.4Å; L751-K754 WeakPolarHBondContact O-CB 3.39Å; L751-K754 PolarHBondContact O-N 2.79Å; L751-K754 VanDerWaalsContact O-N 3.12Å; L751-A755 PolarHBondContact O-N 3.38Å; L751-N774 HydrophobicContact CD1-CB 4.3Å |
| 752 | I | 87.4 | Confident | 88.3 | Confident | 43 Ų | 43 | 74.1 Ų | 74.1 | 22% | 0.221 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -62.9 | -40 | 177.9 | -59.7 | 176.4 | 0 | 0 | 0 | 110 | I747 S749 K754 A755 E756 L779 | I747-I752 HydrophobicContact CD1-CG2 4.4Å; I747-I752 HydrophobicContact CG2-CB 3.77Å; I747-I752 HydrophobicContact CG2-CG2 3.73Å; S749-I752 PolarHBondContact O-N 2.9Å; S749-I752 PolarHBondContact OG-N 3.43Å; I752-K754 VanDerWaalsContact C-N 3.32Å; I752-K754 PolarHBondContact O-N 2.88Å; I752-A755 PolarHBondContact O-N 2.79Å; I752-E756 HydrophobicContact CG2-CG 4.4Å; I752-E756 WeakPolarHBondContact O-CG 3.44Å; I752-E756 PolarHBondContact O-N 2.98Å; I752-L779 HydrophobicContact CD1-CD1 3.76Å; I752-L779 HydrophobicContact CG1-CD1 3.93Å |
| 753 | R | 90 | Very high | 88.2 | Confident | 45 Ų | 45 | 73.2 Ų | 73.2 | 17% | 0.17 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -59.1 | -44.3 | 174.6 | -165.5 | -175.9 | -68.2 | 170.4 | 0.5 | 111.4 | L744 I747 S749 L751 E756 I757 | L744-R753 HydrophobicContact CB-CG 4.23Å; L744-R753 HydrophobicContact CD2-CG 3.8Å; L744-R753 HydrophobicContact CG-CG 4.45Å; L744-R753 PolarHBondContact O-NE 2.93Å; L744-R753 VanDerWaalsContact O-NE 3.16Å; I747-R753 HydrophobicContact CG2-CB 4.3Å; I747-R753 PolarHBondContact O-NE 2.72Å; I747-R753 PolarHBondContact O-NH2 2.89Å; S749-R753 WeakPolarHBondContact O-CB 3.23Å; S749-R753 PolarHBondContact O-N 2.79Å; L751-R753 VanDerWaalsContact C-N 3.28Å; L751-R753 PolarHBondContact O-N 3.4Å; R753-E756 PolarHBondContact O-N 2.82Å; R753-I757 HydrophobicContact CG-CD1 4.1Å; R753-I757 WeakPolarHBondContact O-CD1 3.49Å; R753-I757 WeakPolarHBondContact O-CG1 3.37Å; R753-I757 PolarHBondContact O-N 2.78Å |
| 754 | K | 90.5 | Very high | 88.1 | Confident | 107 Ų | 107 | 69.2 Ų | 69.2 | 47% | 0.465 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -64.5 | -41.3 | 176.2 | -170.3 | 172.2 | 175.1 | -175.7 | 0 | 111.9 | K750 L751 I752 I757 L758 L770 | K750-K754 WeakPolarHBondContact O-CB 3.28Å; K750-K754 PolarHBondContact O-N 2.89Å; L751-K754 WeakPolarHBondContact O-CB 3.39Å; L751-K754 PolarHBondContact O-N 2.79Å; L751-K754 VanDerWaalsContact O-N 3.12Å; I752-K754 VanDerWaalsContact C-N 3.32Å; I752-K754 PolarHBondContact O-N 2.88Å; K754-I757 PolarHBondContact O-N 3.38Å; K754-L758 WeakPolarHBondContact O-CG 3.15Å; K754-L758 PolarHBondContact O-N 2.67Å; K754-L770 HydrophobicContact CB-CD1 4.49Å; K754-L770 HydrophobicContact CD-CD1 3.8Å; K754-L770 HydrophobicContact CG-CD1 4.02Å |
| 755 | A | 88.9 | Confident | 88.1 | Confident | 4 Ų | 4 | 74.2 Ų | 74.2 | 3% | 0.033 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -60.2 | -49.6 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | L751 I752 I757 L758 V759 L770 L771 | L751-A755 PolarHBondContact O-N 3.38Å; I752-A755 PolarHBondContact O-N 2.79Å; A755-I757 VanDerWaalsContact C-N 3.27Å; A755-I757 PolarHBondContact O-N 2.58Å; A755-L758 WeakPolarHBondContact O-CB 3.42Å; A755-L758 PolarHBondContact O-N 3.29Å; A755-L758 VanDerWaalsContact O-N 3.12Å; A755-V759 VanDerWaalsContact O-CG2 3.23Å; A755-V759 WeakPolarHBondContact O-CG2 3.17Å; A755-V759 PolarHBondContact O-N 2.85Å; A755-L770 HydrophobicContact CB-CD2 4.07Å; A755-L771 HydrophobicContact CB-CD1 4.23Å; A755-L771 HydrophobicContact CB-CD2 3.89Å; A755-L771 HydrophobicContact CB-CG 3.96Å |
| 756 | E | 89.6 | Confident | 88 | Confident | 22 Ų | 22 | 72.9 Ų | 72.9 | 10% | 0.103 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -61.7 | -34 | 177.6 | -70.2 | -72.8 | 157.1 | 0 | 0 | 112.5 | L744 I747 I752 R753 V759 Y760 R786 | L744-E756 HydrophobicContact CD2-CB 3.91Å; I747-E756 HydrophobicContact CD1-CG 3.87Å; I752-E756 HydrophobicContact CG2-CG 4.4Å; I752-E756 WeakPolarHBondContact O-CG 3.44Å; I752-E756 PolarHBondContact O-N 2.98Å; R753-E756 PolarHBondContact O-N 2.82Å; E756-V759 PolarHBondContact O-N 3.34Å; E756-Y760 PolarHBondContact O-N 3.16Å; E756-R786 IonicContact OE1-CZ 3.32Å; E756-R786 IonicContact OE1-NH1 3.06Å; E756-R786 PolarHBondContact OE1-NH1 3.44Å; E756-R786 IonicContact OE1-NH2 3.96Å; E756-R786 PolarHBondContact OE1-NH2 3.49Å; E756-R786 IonicContact OE2-NH1 3.79Å; E756-R786 PolarHBondContact OE2-NH1 3.41Å |
| 757 | I | 90.5 | Very high | 88.1 | Confident | 6 Ų | 6 | 66.2 Ų | 66.2 | 3% | 0.031 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -66.8 | -43.7 | 173.3 | -70.3 | 164.1 | 0 | 0 | 0 | 111.4 | L717 Q720 F740 L744 R753 K754 A755 V759 Y760 F761 | L717-I757 HydrophobicContact CB-CG2 3.95Å; L717-I757 WeakPolarHBondContact O-CD1 3.44Å; Q720-I757 HydrophobicContact CG-CD1 4.43Å; F740-I757 HydrophobicContact CE1-CG1 4.47Å; F740-I757 HydrophobicContact CZ-CG1 4.34Å; L744-I757 HydrophobicContact CD1-CD1 4.12Å; L744-I757 HydrophobicContact CD1-CG1 3.8Å; L744-I757 HydrophobicContact CD2-CG1 4.11Å; R753-I757 HydrophobicContact CG-CD1 4.1Å; R753-I757 WeakPolarHBondContact O-CD1 3.49Å; R753-I757 WeakPolarHBondContact O-CG1 3.37Å; R753-I757 PolarHBondContact O-N 2.78Å; K754-I757 PolarHBondContact O-N 3.38Å; A755-I757 VanDerWaalsContact C-N 3.27Å; A755-I757 PolarHBondContact O-N 2.58Å; I757-V759 VanDerWaalsContact C-N 3.27Å; I757-V759 PolarHBondContact O-N 3.21Å; I757-Y760 WeakPolarHBondContact O-CB 3.15Å; I757-Y760 PolarHBondContact O-N 3.23Å; I757-F761 HydrophobicContact CG2-CD2 3.95Å; I757-F761 HydrophobicContact CG2-CE2 3.4Å; I757-F761 HydrophobicContact CG2-CZ 3.99Å; I757-F761 WeakPolarHBondContact O-CD2 3.47Å; I757-F761 PolarHBondContact O-N 3.49Å |
| 758 | L | 90.3 | Very high | 88.2 | Confident | 19 Ų | 19 | 65.1 Ų | 65.1 | 10% | 0.099 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -61.8 | -38.3 | 174.6 | -70.9 | 169.9 | 0 | 0 | 0 | 111.6 | K754 A755 Y760 F761 K762 K763 E766 A767 L770 | K754-L758 WeakPolarHBondContact O-CG 3.15Å; K754-L758 PolarHBondContact O-N 2.67Å; A755-L758 WeakPolarHBondContact O-CB 3.42Å; A755-L758 PolarHBondContact O-N 3.29Å; A755-L758 VanDerWaalsContact O-N 3.12Å; L758-Y760 VanDerWaalsContact C-N 3.35Å; L758-F761 CarbonylContact O-C 3.56Å; L758-F761 PolarHBondContact O-N 2.91Å; L758-K762 PolarHBondContact O-N 2.87Å; L758-K763 HydrophobicContact CB-CB 4.49Å; L758-K763 HydrophobicContact CD2-CB 4.41Å; L758-K763 HydrophobicContact CD2-CD 4.23Å; L758-K763 PolarHBondContact O-N 3.4Å; L758-E766 HydrophobicContact CD1-CB 4.21Å; L758-E766 HydrophobicContact CD2-CB 4.41Å; L758-A767 HydrophobicContact CB-CB 3.81Å; L758-L770 HydrophobicContact CD1-CD1 4.15Å |
| 759 | V | 89 | Confident | 88.5 | Confident | 25 Ų | 25 | 59.5 Ų | 59.5 | 15% | 0.152 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -63.6 | -41.1 | 174.4 | 175 | 0 | 0 | 0 | 0 | 111.3 | A755 E756 I757 F761 K762 A767 L783 | A755-V759 VanDerWaalsContact O-CG2 3.23Å; A755-V759 WeakPolarHBondContact O-CG2 3.17Å; A755-V759 PolarHBondContact O-N 2.85Å; E756-V759 PolarHBondContact O-N 3.34Å; I757-V759 VanDerWaalsContact C-N 3.27Å; I757-V759 PolarHBondContact O-N 3.21Å; V759-F761 VanDerWaalsContact C-N 3.29Å; V759-F761 PolarHBondContact O-N 2.93Å; V759-K762 PolarHBondContact O-N 3.13Å; V759-A767 HydrophobicContact CG2-CB 3.6Å; V759-L783 HydrophobicContact CB-CD1 4.26Å; V759-L783 HydrophobicContact CG1-CD1 3.87Å; V759-L783 HydrophobicContact CG2-CD1 3.33Å; V759-L783 HydrophobicContact CG2-CD2 3.75Å; V759-L783 HydrophobicContact CG2-CG 4.17Å |
| 760 | Y | 87.6 | Confident | 88.7 | Confident | 81 Ų | 81 | 58.5 Ų | 58.5 | 32% | 0.318 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -60.2 | -38.5 | 174.3 | -177.7 | -95.2 | 0 | 0 | 0 | 112.2 | L717 F729 F740 E756 I757 L758 K762 | L717-Y760 HydrophobicContact CD1-CD1 4.11Å; L717-Y760 HydrophobicContact CD1-CE1 4.11Å; F729-Y760 HydrophobicContact CZ-CE1 4.38Å; F729-Y760 WeakPolarHBondContact CZ-OH 3.25Å; F740-Y760 HydrophobicContact CB-CE2 4.4Å; F740-Y760 HydrophobicContact CD1-CD1 4.47Å; F740-Y760 AromaticContact CD1-CD2 3.63Å; F740-Y760 HydrophobicContact CD1-CD2 3.63Å; F740-Y760 AromaticContact CD1-CE2 3.91Å; F740-Y760 HydrophobicContact CD1-CE2 3.91Å; F740-Y760 AromaticContact CD1-CG 3.94Å; F740-Y760 HydrophobicContact CD1-CG 3.94Å; F740-Y760 HydrophobicContact CD2-CD2 4.05Å; F740-Y760 HydrophobicContact CE1-CD1 4.09Å; F740-Y760 AromaticContact CE1-CD2 3.7Å; F740-Y760 HydrophobicContact CE1-CD2 3.7Å; F740-Y760 HydrophobicContact CE1-CE2 4.36Å; F740-Y760 AromaticContact CE1-CG 3.54Å; F740-Y760 HydrophobicContact CE1-CG 3.54Å; F740-Y760 HydrophobicContact CE2-CD2 4.13Å; F740-Y760 HydrophobicContact CE2-CG 4.37Å; F740-Y760 AromaticContact CG-CD2 3.82Å; F740-Y760 HydrophobicContact CG-CD2 3.82Å; F740-Y760 HydrophobicContact CG-CE2 4.1Å; F740-Y760 VanDerWaalsContact CZ-CB 3.43Å; F740-Y760 AromaticContact CZ-CD2 3.96Å; F740-Y760 HydrophobicContact CZ-CD2 3.96Å; F740-Y760 AromaticContact CZ-CG 3.8Å; F740-Y760 HydrophobicContact CZ-CG 3.8Å; E756-Y760 PolarHBondContact O-N 3.16Å; I757-Y760 WeakPolarHBondContact O-CB 3.15Å; I757-Y760 PolarHBondContact O-N 3.23Å; L758-Y760 VanDerWaalsContact C-N 3.35Å; Y760-K762 PolarHBondContact O-N 3.06Å |
| 761 | F | 86.7 | Confident | 88.8 | Confident | 34 Ų | 34 | 51.7 Ų | 51.7 | 15% | 0.149 | 25% | 0.246 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.1 | 9.3 | 173.8 | -60.6 | -39.5 | 0 | 0 | 0 | 114.8 | E714 L717 E718 I757 L758 V759 K763 | E714-F761 HydrophobicContact CB-CE1 4.04Å; E714-F761 HydrophobicContact CB-CZ 4.07Å; E714-F761 HydrophobicContact CG-CD1 4.21Å; E714-F761 HydrophobicContact CG-CE1 3.6Å; E714-F761 HydrophobicContact CG-CZ 4.15Å; L717-F761 HydrophobicContact CB-CE2 4.41Å; L717-F761 HydrophobicContact CB-CZ 3.75Å; L717-F761 HydrophobicContact CD1-CE1 4Å; L717-F761 HydrophobicContact CD1-CZ 3.94Å; E718-F761 HydrophobicContact CG-CE2 3.9Å; I757-F761 HydrophobicContact CG2-CD2 3.95Å; I757-F761 HydrophobicContact CG2-CE2 3.4Å; I757-F761 HydrophobicContact CG2-CZ 3.99Å; I757-F761 WeakPolarHBondContact O-CD2 3.47Å; I757-F761 PolarHBondContact O-N 3.49Å; L758-F761 CarbonylContact O-C 3.56Å; L758-F761 PolarHBondContact O-N 2.91Å; V759-F761 VanDerWaalsContact C-N 3.29Å; V759-F761 PolarHBondContact O-N 2.93Å; F761-K763 HydrophobicContact CB-CD 4.43Å; F761-K763 HydrophobicContact CB-CG 4.22Å; F761-K763 PolarHBondContact O-N 3.05Å; F761-K763 VanDerWaalsContact O-N 3.16Å |
| 762 | K | 84.8 | Confident | 88.9 | Confident | 172 Ų | 172 | 50.3 Ų | 50.3 | 75% | 0.748 | 24% | 0.239 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 59.8 | 18.8 | -175.8 | -53 | 178.9 | 178.9 | 179.1 | 0 | 114 | L758 V759 Y760 H764 | L758-K762 PolarHBondContact O-N 2.87Å; V759-K762 PolarHBondContact O-N 3.13Å; Y760-K762 PolarHBondContact O-N 3.06Å; K762-H764 VanDerWaalsContact C-N 3.29Å; K762-H764 PolarHBondContact O-N 3.23Å |
| 763 | K | 87.4 | Confident | 89 | Confident | 80 Ų | 80 | 54.6 Ų | 54.6 | 35% | 0.348 | 26% | 0.262 | S | S | . | . | trans | -90.9 | 63.9 | 175.6 | -63 | -176.8 | 178.6 | -177.9 | 0 | 109.9 | L758 F761 D765 E766 A767 | L758-K763 HydrophobicContact CB-CB 4.49Å; L758-K763 HydrophobicContact CD2-CB 4.41Å; L758-K763 HydrophobicContact CD2-CD 4.23Å; L758-K763 PolarHBondContact O-N 3.4Å; F761-K763 HydrophobicContact CB-CD 4.43Å; F761-K763 HydrophobicContact CB-CG 4.22Å; F761-K763 PolarHBondContact O-N 3.05Å; F761-K763 VanDerWaalsContact O-N 3.16Å; K763-D765 PolarHBondContact O-N 2.94Å; K763-E766 HydrophobicContact CB-CB 4.26Å; K763-E766 HydrophobicContact CB-CG 4.49Å; K763-E766 PolarHBondContact O-N 2.98Å; K763-A767 PolarHBondContact O-N 3.44Å; K763-A767 VanDerWaalsContact O-N 3.11Å | ||
| 764 | H | 88.5 | Confident | 88.8 | Confident | 48 Ų | 48 | 55.9 Ų | 55.9 | 22% | 0.222 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -65.5 | -38.3 | -171.7 | -56.4 | -52.1 | 0 | 0 | 0 | 112.9 | K762 A767 E768 L787 | K762-H764 VanDerWaalsContact C-N 3.29Å; K762-H764 PolarHBondContact O-N 3.23Å; H764-A767 WeakPolarHBondContact O-CB 3.11Å; H764-A767 PolarHBondContact O-N 2.95Å; H764-E768 WeakPolarHBondContact O-CB 3.47Å; H764-E768 PolarHBondContact O-N 2.77Å; H764-L787 HydrophobicContact CB-CD1 3.83Å; H764-L787 VanDerWaalsContact CE1-CD2 3.42Å; H764-L787 WeakPolarHBondContact CE1-CD2 3.45Å; H764-L787 VanDerWaalsContact CG-CD1 3.49Å; H764-L787 WeakPolarHBondContact ND1-CD1 3.48Å |
| 765 | D | 88.5 | Confident | 88.5 | Confident | 107 Ų | 107 | 57.9 Ų | 57.9 | 57% | 0.572 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -67.6 | -40 | 179.5 | -57.4 | -34.7 | 0 | 0 | 0 | 112 | K763 A767 E768 T769 R784 | K763-D765 PolarHBondContact O-N 2.94Å; D765-A767 VanDerWaalsContact C-N 3.33Å; D765-E768 PolarHBondContact O-N 3.11Å; D765-T769 WeakPolarHBondContact O-CG2 3.2Å; D765-T769 PolarHBondContact O-N 3.45Å; D765-T769 PolarHBondContact O-OG1 3.41Å; D765-R784 IonicContact OD1-CZ 3.89Å; D765-R784 IonicContact OD1-NH1 3.76Å; D765-R784 IonicContact OD1-NH2 3.8Å; D765-R784 PolarHBondContact OD1-NH2 2.83Å |
| 766 | E | 89.2 | Confident | 88.3 | Confident | 99 Ų | 99 | 62.7 Ų | 62.7 | 46% | 0.463 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -65.6 | -36.9 | 174 | -67.5 | -178.7 | -155.3 | 0 | 0 | 111.6 | L758 K763 T769 L770 | L758-E766 HydrophobicContact CD1-CB 4.21Å; L758-E766 HydrophobicContact CD2-CB 4.41Å; K763-E766 HydrophobicContact CB-CB 4.26Å; K763-E766 HydrophobicContact CB-CG 4.49Å; K763-E766 PolarHBondContact O-N 2.98Å; E766-T769 WeakPolarHBondContact CA-OG1 3.48Å; E766-T769 PolarHBondContact O-OG1 3.3Å; E766-L770 VanDerWaalsContact O-CB 3.28Å; E766-L770 WeakPolarHBondContact O-CB 3.46Å; E766-L770 PolarHBondContact O-N 2.96Å |
| 767 | A | 90 | Very high | 88.1 | Confident | 0 Ų | 0 | 63.4 Ų | 63.4 | 0% | 0 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -67.1 | -43.4 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | L758 V759 K763 H764 D765 L770 L771 L783 | L758-A767 HydrophobicContact CB-CB 3.81Å; V759-A767 HydrophobicContact CG2-CB 3.6Å; K763-A767 PolarHBondContact O-N 3.44Å; K763-A767 VanDerWaalsContact O-N 3.11Å; H764-A767 WeakPolarHBondContact O-CB 3.11Å; H764-A767 PolarHBondContact O-N 2.95Å; D765-A767 VanDerWaalsContact C-N 3.33Å; A767-L770 PolarHBondContact O-N 3.16Å; A767-L771 WeakPolarHBondContact O-CG 3.44Å; A767-L771 PolarHBondContact O-N 3.4Å; A767-L783 HydrophobicContact CB-CD2 3.89Å |
| 768 | E | 89.6 | Confident | 87.9 | Confident | 7 Ų | 7 | 66.8 Ų | 66.8 | 3% | 0.033 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -61.6 | -50.7 | 176.8 | -178.8 | -173.5 | 123.5 | 0 | 0 | 111.1 | H764 D765 L770 L771 L772 A780 R784 R792 | H764-E768 WeakPolarHBondContact O-CB 3.47Å; H764-E768 PolarHBondContact O-N 2.77Å; D765-E768 PolarHBondContact O-N 3.11Å; E768-L770 VanDerWaalsContact C-N 3.27Å; E768-L770 PolarHBondContact O-N 2.9Å; E768-L771 PolarHBondContact O-N 3.12Å; E768-L772 HydrophobicContact CG-CD1 3.8Å; E768-L772 HydrophobicContact CG-CG 4.25Å; E768-L772 WeakPolarHBondContact O-CG 3.48Å; E768-L772 PolarHBondContact O-N 3.4Å; E768-A780 HydrophobicContact CG-CB 4.35Å; E768-R784 IonicContact OE2-CZ 3.05Å; E768-R784 IonicContact OE2-NE 3.09Å; E768-R784 PolarHBondContact OE2-NE 3.5Å; E768-R784 IonicContact OE2-NH2 3.34Å; E768-R784 PolarHBondContact OE2-NH2 3.26Å; E768-R792 IonicContact OE1-CZ 2.88Å; E768-R792 VanDerWaalsContact OE1-CZ 3.29Å; E768-R792 IonicContact OE1-NE 3.8Å; E768-R792 PolarHBondContact OE1-NE 2.77Å; E768-R792 IonicContact OE1-NH2 3.93Å; E768-R792 PolarHBondContact OE1-NH2 2.93Å; E768-R792 IonicContact OE2-NE 3.11Å; E768-R792 PolarHBondContact OE2-NE 2.91Å |
| 769 | T | 90.6 | Very high | 87.8 | Confident | 69 Ų | 69 | 67.3 Ų | 67.3 | 42% | 0.423 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -60.4 | -37.9 | 178.5 | 50.6 | 0 | 0 | 0 | 0 | 111.8 | D765 E766 L771 N773 | D765-T769 WeakPolarHBondContact O-CG2 3.2Å; D765-T769 PolarHBondContact O-N 3.45Å; D765-T769 PolarHBondContact O-OG1 3.41Å; E766-T769 WeakPolarHBondContact CA-OG1 3.48Å; E766-T769 PolarHBondContact O-OG1 3.3Å; T769-L771 PolarHBondContact O-N 3.41Å; T769-N773 VanDerWaalsContact O-CB 3.24Å; T769-N773 WeakPolarHBondContact O-CB 3.47Å; T769-N773 PolarHBondContact O-N 3.23Å; T769-N773 PolarHBondContact O-ND2 3.35Å |
| 770 | L | 89.7 | Confident | 87.7 | Confident | 26 Ų | 26 | 66.2 Ų | 66.2 | 14% | 0.136 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -63.2 | -39.3 | 174.1 | -173.3 | 143.8 | 0 | 0 | 0 | 112.4 | K754 A755 L758 E766 A767 E768 N774 | K754-L770 HydrophobicContact CB-CD1 4.49Å; K754-L770 HydrophobicContact CD-CD1 3.8Å; K754-L770 HydrophobicContact CG-CD1 4.02Å; A755-L770 HydrophobicContact CB-CD2 4.07Å; L758-L770 HydrophobicContact CD1-CD1 4.15Å; E766-L770 VanDerWaalsContact O-CB 3.28Å; E766-L770 WeakPolarHBondContact O-CB 3.46Å; E766-L770 PolarHBondContact O-N 2.96Å; A767-L770 PolarHBondContact O-N 3.16Å; E768-L770 VanDerWaalsContact C-N 3.27Å; E768-L770 PolarHBondContact O-N 2.9Å; L770-N774 PolarHBondContact O-ND2 2.92Å |
| 771 | L | 88.8 | Confident | 87.8 | Confident | 11 Ų | 11 | 63.4 Ų | 63.4 | 6% | 0.058 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -72.2 | -43.1 | 177.7 | -69.8 | 170.8 | 0 | 0 | 0 | 112.1 | A755 A767 E768 T769 N774 R776 L779 A780 L783 | A755-L771 HydrophobicContact CB-CD1 4.23Å; A755-L771 HydrophobicContact CB-CD2 3.89Å; A755-L771 HydrophobicContact CB-CG 3.96Å; A767-L771 WeakPolarHBondContact O-CG 3.44Å; A767-L771 PolarHBondContact O-N 3.4Å; E768-L771 PolarHBondContact O-N 3.12Å; T769-L771 PolarHBondContact O-N 3.41Å; L771-N774 CarbonylContact O-C 3.54Å; L771-N774 PolarHBondContact O-N 3.12Å; L771-R776 HydrophobicContact CD2-CB 4.35Å; L771-R776 PolarHBondContact O-N 2.97Å; L771-L779 HydrophobicContact CD1-CB 4.08Å; L771-L779 HydrophobicContact CD2-CB 4.1Å; L771-L779 HydrophobicContact CD2-CD1 4.2Å; L771-A780 HydrophobicContact CB-CB 4.14Å; L771-A780 HydrophobicContact CD1-CB 4.5Å; L771-L783 HydrophobicContact CD1-CD2 4.15Å |
| 772 | L | 88.4 | Confident | 87.8 | Confident | 51 Ų | 51 | 66.6 Ų | 66.6 | 27% | 0.267 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -63.6 | -42.9 | 177.5 | -69.2 | 174.4 | 0 | 0 | 0 | 112 | E768 N774 D775 A780 L796 T800 | E768-L772 HydrophobicContact CG-CD1 3.8Å; E768-L772 HydrophobicContact CG-CG 4.25Å; E768-L772 WeakPolarHBondContact O-CG 3.48Å; E768-L772 PolarHBondContact O-N 3.4Å; L772-N774 PolarHBondContact O-N 2.93Å; L772-N774 VanDerWaalsContact O-N 3.16Å; L772-D775 PolarHBondContact O-N 3.36Å; L772-D775 VanDerWaalsContact O-N 3.13Å; L772-A780 HydrophobicContact CD2-CB 4.01Å; L772-A780 HydrophobicContact CG-CB 4.22Å; L772-L796 HydrophobicContact CD1-CD2 4.15Å; L772-L796 HydrophobicContact CD2-CD2 4.45Å; L772-T800 HydrophobicContact CD2-CG2 4.5Å |
| 773 | N | 89.4 | Confident | 88 | Confident | 134 Ų | 134 | 58.6 Ų | 58.6 | 72% | 0.717 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.9 | -14.8 | 177.9 | -71.9 | -15.9 | 0 | 0 | 0 | 113.8 | T769 | T769-N773 VanDerWaalsContact O-CB 3.24Å; T769-N773 WeakPolarHBondContact O-CB 3.47Å; T769-N773 PolarHBondContact O-N 3.23Å; T769-N773 PolarHBondContact O-ND2 3.35Å |
| 774 | N | 87.5 | Confident | 88.1 | Confident | 71 Ų | 71 | 55.7 Ų | 55.7 | 38% | 0.38 | 29% | 0.286 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -109.7 | 22.8 | 177.1 | -71.7 | -78.5 | 0 | 0 | 0 | 112.1 | L751 L770 L771 L772 R776 | L751-N774 HydrophobicContact CD1-CB 4.3Å; L770-N774 PolarHBondContact O-ND2 2.92Å; L771-N774 CarbonylContact O-C 3.54Å; L771-N774 PolarHBondContact O-N 3.12Å; L772-N774 PolarHBondContact O-N 2.93Å; L772-N774 VanDerWaalsContact O-N 3.16Å; N774-R776 PolarHBondContact O-N 3.31Å |
| 775 | D | 83.4 | Confident | 88.1 | Confident | 150 Ų | 150 | 57.3 Ų | 57.3 | 80% | 0.802 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57 | 29.1 | 178.1 | -58.3 | -37.1 | 0 | 0 | 0 | 114.5 | L772 | L772-D775 PolarHBondContact O-N 3.36Å; L772-D775 VanDerWaalsContact O-N 3.13Å |
| 776 | R | 85.8 | Confident | 88.1 | Confident | 105 Ų | 105 | 57.4 Ų | 57.4 | 40% | 0.396 | 29% | 0.285 | S | S | . | . | trans | -107.4 | 58.5 | 176.6 | -62.8 | -57.3 | -60.2 | -127.4 | 0.1 | 111.7 | L771 N774 D778 L779 A780 | L771-R776 HydrophobicContact CD2-CB 4.35Å; L771-R776 PolarHBondContact O-N 2.97Å; N774-R776 PolarHBondContact O-N 3.31Å; R776-D778 VanDerWaalsContact C-N 3.26Å; R776-D778 VanDerWaalsContact C-OD1 3.27Å; R776-D778 WeakPolarHBondContact CA-OD1 3.35Å; R776-D778 IonicContact CZ-OD1 3.2Å; R776-D778 IonicContact CZ-OD2 3.65Å; R776-D778 IonicContact NE-OD1 3.9Å; R776-D778 PolarHBondContact NE-OD1 3.45Å; R776-D778 VanDerWaalsContact NE-OD1 3.12Å; R776-D778 IonicContact NE-OD2 3.07Å; R776-D778 IonicContact NH2-OD1 2.8Å; R776-D778 IonicContact NH2-OD2 2.78Å; R776-D778 PolarHBondContact NH2-OD2 2.88Å; R776-D778 PolarHBondContact O-N 3.33Å; R776-L779 HydrophobicContact CB-CB 4.35Å; R776-L779 HydrophobicContact CB-CD1 4.13Å; R776-L779 HydrophobicContact CB-CG 4.41Å; R776-L779 HydrophobicContact CG-CD1 4.34Å; R776-L779 PolarHBondContact O-N 3.23Å; R776-A780 PolarHBondContact O-N 2.8Å | ||
| 777 | S | 85.1 | Confident | 87.9 | Confident | 37 Ų | 37 | 56 Ų | 56 | 26% | 0.259 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -62.9 | -31.9 | 177.2 | 52.4 | 0 | 0 | 0 | 0 | 113 | L779 A780 V781 | S777-L779 PolarHBondContact O-N 3.43Å; S777-A780 PolarHBondContact O-N 3.5Å; S777-V781 WeakPolarHBondContact O-CG2 3.4Å; S777-V781 PolarHBondContact O-N 3.5Å |
| 778 | D | 86.7 | Confident | 87.7 | Confident | 77 Ų | 77 | 57.9 Ų | 57.9 | 41% | 0.412 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -52.2 | -52.3 | 172.4 | 62.8 | -35.4 | 0 | 0 | 0 | 111.9 | R776 A780 V781 E782 | R776-D778 VanDerWaalsContact C-N 3.26Å; R776-D778 VanDerWaalsContact C-OD1 3.27Å; R776-D778 WeakPolarHBondContact CA-OD1 3.35Å; R776-D778 IonicContact CZ-OD1 3.2Å; R776-D778 IonicContact CZ-OD2 3.65Å; R776-D778 IonicContact NE-OD1 3.9Å; R776-D778 PolarHBondContact NE-OD1 3.45Å; R776-D778 VanDerWaalsContact NE-OD1 3.12Å; R776-D778 IonicContact NE-OD2 3.07Å; R776-D778 IonicContact NH2-OD1 2.8Å; R776-D778 IonicContact NH2-OD2 2.78Å; R776-D778 PolarHBondContact NH2-OD2 2.88Å; R776-D778 PolarHBondContact O-N 3.33Å; D778-A780 VanDerWaalsContact C-N 3.35Å; D778-V781 PolarHBondContact O-N 3.29Å; D778-E782 PolarHBondContact O-N 3.01Å |
| 779 | L | 87.2 | Confident | 87.6 | Confident | 30 Ų | 30 | 60 Ų | 60 | 16% | 0.157 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -71.5 | -30.4 | -179.6 | -64.4 | 178.9 | 0 | 0 | 0 | 112.3 | I752 L771 R776 S777 L783 | I752-L779 HydrophobicContact CD1-CD1 3.76Å; I752-L779 HydrophobicContact CG1-CD1 3.93Å; L771-L779 HydrophobicContact CD1-CB 4.08Å; L771-L779 HydrophobicContact CD2-CB 4.1Å; L771-L779 HydrophobicContact CD2-CD1 4.2Å; R776-L779 HydrophobicContact CB-CB 4.35Å; R776-L779 HydrophobicContact CB-CD1 4.13Å; R776-L779 HydrophobicContact CB-CG 4.41Å; R776-L779 HydrophobicContact CG-CD1 4.34Å; R776-L779 PolarHBondContact O-N 3.23Å; S777-L779 PolarHBondContact O-N 3.43Å; L779-L783 WeakPolarHBondContact O-CB 3.23Å; L779-L783 PolarHBondContact O-N 2.95Å |
| 780 | A | 87.7 | Confident | 87.5 | Confident | 1 Ų | 1 | 59.2 Ų | 59.2 | 1% | 0.008 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -67.3 | -42.2 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | E768 L771 L772 R776 S777 D778 L783 R784 | E768-A780 HydrophobicContact CG-CB 4.35Å; L771-A780 HydrophobicContact CB-CB 4.14Å; L771-A780 HydrophobicContact CD1-CB 4.5Å; L772-A780 HydrophobicContact CD2-CB 4.01Å; L772-A780 HydrophobicContact CG-CB 4.22Å; R776-A780 PolarHBondContact O-N 2.8Å; S777-A780 PolarHBondContact O-N 3.5Å; D778-A780 VanDerWaalsContact C-N 3.35Å; A780-L783 PolarHBondContact O-N 3.22Å; A780-R784 PolarHBondContact O-N 3.13Å; A780-R784 VanDerWaalsContact O-N 3.13Å |
| 781 | V | 87.9 | Confident | 87.5 | Confident | 22 Ų | 22 | 61.3 Ų | 61.3 | 13% | 0.133 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -65.3 | -46.4 | 174 | 172.8 | 0 | 0 | 0 | 0 | 110.7 | S777 D778 L783 R784 K785 V793 L796 T797 I802 | S777-V781 WeakPolarHBondContact O-CG2 3.4Å; S777-V781 PolarHBondContact O-N 3.5Å; D778-V781 PolarHBondContact O-N 3.29Å; V781-L783 VanDerWaalsContact C-N 3.3Å; V781-L783 PolarHBondContact O-N 3.21Å; V781-R784 PolarHBondContact O-N 3.06Å; V781-K785 WeakPolarHBondContact O-CB 3.32Å; V781-K785 PolarHBondContact O-N 2.98Å; V781-V793 HydrophobicContact CG1-CG1 4.2Å; V781-L796 HydrophobicContact CG2-CB 3.92Å; V781-T797 HydrophobicContact CG1-CG2 3.96Å; V781-T797 HydrophobicContact CG2-CG2 4.16Å; V781-I802 HydrophobicContact CG2-CD1 4.16Å |
| 782 | E | 87.9 | Confident | 87.5 | Confident | 102 Ų | 102 | 63.8 Ų | 63.8 | 48% | 0.477 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -61.9 | -37.7 | 176.7 | -169.8 | -175.8 | 172.2 | 0 | 0 | 112.1 | D778 K785 R786 | D778-E782 PolarHBondContact O-N 3.01Å; E782-K785 PolarHBondContact O-N 3.3Å; E782-R786 WeakPolarHBondContact O-CG 3.39Å; E782-R786 PolarHBondContact O-N 3.43Å |
| 783 | L | 88.1 | Confident | 87.5 | Confident | 3 Ų | 3 | 61.5 Ų | 61.5 | 2% | 0.016 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -59.8 | -51.1 | 175.2 | 173.7 | 60.5 | 0 | 0 | 0 | 111.4 | V759 A767 L771 L779 A780 V781 K785 R786 L787 | V759-L783 HydrophobicContact CB-CD1 4.26Å; V759-L783 HydrophobicContact CG1-CD1 3.87Å; V759-L783 HydrophobicContact CG2-CD1 3.33Å; V759-L783 HydrophobicContact CG2-CD2 3.75Å; V759-L783 HydrophobicContact CG2-CG 4.17Å; A767-L783 HydrophobicContact CB-CD2 3.89Å; L771-L783 HydrophobicContact CD1-CD2 4.15Å; L779-L783 WeakPolarHBondContact O-CB 3.23Å; L779-L783 PolarHBondContact O-N 2.95Å; A780-L783 PolarHBondContact O-N 3.22Å; V781-L783 VanDerWaalsContact C-N 3.3Å; V781-L783 PolarHBondContact O-N 3.21Å; L783-K785 VanDerWaalsContact C-N 3.32Å; L783-K785 PolarHBondContact O-N 2.99Å; L783-R786 PolarHBondContact O-N 3.24Å; L783-L787 HydrophobicContact CD1-CD1 4.28Å; L783-L787 HydrophobicContact CG-CD1 4.31Å; L783-L787 WeakPolarHBondContact O-CG 3.42Å; L783-L787 PolarHBondContact O-N 2.87Å; L783-L787 VanDerWaalsContact O-N 3.12Å |
| 784 | R | 89.7 | Confident | 87.4 | Confident | 19 Ų | 19 | 56.4 Ų | 56.4 | 7% | 0.072 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -66.6 | -34.9 | 178.8 | -72.1 | -70.3 | -175.8 | 170.7 | -3.7 | 112.4 | D765 E768 A780 V781 L787 G788 D789 R792 V793 L796 | D765-R784 IonicContact OD1-CZ 3.89Å; D765-R784 IonicContact OD1-NH1 3.76Å; D765-R784 IonicContact OD1-NH2 3.8Å; D765-R784 PolarHBondContact OD1-NH2 2.83Å; E768-R784 IonicContact OE2-CZ 3.05Å; E768-R784 IonicContact OE2-NE 3.09Å; E768-R784 PolarHBondContact OE2-NE 3.5Å; E768-R784 IonicContact OE2-NH2 3.34Å; E768-R784 PolarHBondContact OE2-NH2 3.26Å; A780-R784 PolarHBondContact O-N 3.13Å; A780-R784 VanDerWaalsContact O-N 3.13Å; V781-R784 PolarHBondContact O-N 3.06Å; R784-L787 PolarHBondContact O-N 3.1Å; R784-G788 PolarHBondContact O-N 2.93Å; R784-G788 VanDerWaalsContact O-N 3.15Å; R784-D789 IonicContact CZ-OD2 2.86Å; R784-D789 IonicContact NE-OD2 3.45Å; R784-D789 IonicContact NH1-OD2 2.68Å; R784-D789 PolarHBondContact NH1-OD2 3.12Å; R784-D789 PolarHBondContact O-N 2.95Å; R784-D789 VanDerWaalsContact O-N 3.11Å; R784-R792 HydrophobicContact CG-CB 4.31Å; R784-R792 HydrophobicContact CG-CG 3.96Å; R784-V793 HydrophobicContact CB-CG2 3.55Å; R784-L796 HydrophobicContact CG-CD1 3.9Å |
| 785 | K | 89.2 | Confident | 87.5 | Confident | 83 Ų | 83 | 57.5 Ų | 57.5 | 36% | 0.361 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -61.2 | -43.5 | 172.6 | -169.2 | 174 | -176.9 | 173.9 | 0 | 111.4 | V781 E782 L783 L787 G788 W790 V793 E811 | V781-K785 WeakPolarHBondContact O-CB 3.32Å; V781-K785 PolarHBondContact O-N 2.98Å; E782-K785 PolarHBondContact O-N 3.3Å; L783-K785 VanDerWaalsContact C-N 3.32Å; L783-K785 PolarHBondContact O-N 2.99Å; K785-L787 VanDerWaalsContact C-N 3.3Å; K785-L787 PolarHBondContact O-N 3.17Å; K785-G788 PolarHBondContact O-N 3.32Å; K785-G788 VanDerWaalsContact O-N 3.17Å; K785-W790 HydrophobicContact CD-CH2 4.43Å; K785-W790 HydrophobicContact CD-CZ3 4.34Å; K785-W790 HydrophobicContact CG-CH2 3.83Å; K785-W790 HydrophobicContact CG-CZ3 3.86Å; K785-V793 HydrophobicContact CB-CG2 4.22Å; K785-E811 IonicContact NZ-OE2 3.23Å; K785-E811 PolarHBondContact NZ-OE2 3.18Å |
| 786 | R | 88.5 | Confident | 87.6 | Confident | 109 Ų | 109 | 50.5 Ų | 50.5 | 41% | 0.411 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -63.6 | -31.4 | 174.3 | -78.1 | -169.9 | -72.3 | 161.1 | -13.5 | 113.5 | E756 E782 L783 G788 | E756-R786 IonicContact OE1-CZ 3.32Å; E756-R786 IonicContact OE1-NH1 3.06Å; E756-R786 PolarHBondContact OE1-NH1 3.44Å; E756-R786 IonicContact OE1-NH2 3.96Å; E756-R786 PolarHBondContact OE1-NH2 3.49Å; E756-R786 IonicContact OE2-NH1 3.79Å; E756-R786 PolarHBondContact OE2-NH1 3.41Å; E782-R786 WeakPolarHBondContact O-CG 3.39Å; E782-R786 PolarHBondContact O-N 3.43Å; L783-R786 PolarHBondContact O-N 3.24Å; R786-G788 VanDerWaalsContact C-N 3.31Å |
| 787 | L | 85.2 | Confident | 87.6 | Confident | 70 Ų | 70 | 46.2 Ų | 46.2 | 37% | 0.366 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -80.1 | -11.1 | 177 | -65.9 | 169.6 | 0 | 0 | 0 | 113.2 | H764 L783 R784 K785 D789 | H764-L787 HydrophobicContact CB-CD1 3.83Å; H764-L787 VanDerWaalsContact CE1-CD2 3.42Å; H764-L787 WeakPolarHBondContact CE1-CD2 3.45Å; H764-L787 VanDerWaalsContact CG-CD1 3.49Å; H764-L787 WeakPolarHBondContact ND1-CD1 3.48Å; L783-L787 HydrophobicContact CD1-CD1 4.28Å; L783-L787 HydrophobicContact CG-CD1 4.31Å; L783-L787 WeakPolarHBondContact O-CG 3.42Å; L783-L787 PolarHBondContact O-N 2.87Å; L783-L787 VanDerWaalsContact O-N 3.12Å; R784-L787 PolarHBondContact O-N 3.1Å; K785-L787 VanDerWaalsContact C-N 3.3Å; K785-L787 PolarHBondContact O-N 3.17Å; L787-D789 VanDerWaalsContact C-N 3.28Å |
| 788 | G | 85 | Confident | 87.6 | Confident | 38 Ų | 38 | 52.9 Ų | 52.9 | 39% | 0.392 | 26% | 0.256 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 74.3 | 15.5 | -174.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | R784 K785 R786 W790 | R784-G788 PolarHBondContact O-N 2.93Å; R784-G788 VanDerWaalsContact O-N 3.15Å; K785-G788 PolarHBondContact O-N 3.32Å; K785-G788 VanDerWaalsContact O-N 3.17Å; R786-G788 VanDerWaalsContact C-N 3.31Å; G788-W790 VanDerWaalsContact C-N 3.27Å; G788-W790 PolarHBondContact O-N 2.98Å |
| 789 | D | 87.3 | Confident | 87.5 | Confident | 51 Ų | 51 | 54.2 Ų | 54.2 | 27% | 0.273 | 26% | 0.263 | S | S | . | . | trans | -84.7 | 69.8 | 179.1 | -173.6 | -3.2 | 0 | 0 | 0 | 110.6 | R784 L787 F791 R792 V793 | R784-D789 IonicContact CZ-OD2 2.86Å; R784-D789 IonicContact NE-OD2 3.45Å; R784-D789 IonicContact NH1-OD2 2.68Å; R784-D789 PolarHBondContact NH1-OD2 3.12Å; R784-D789 PolarHBondContact O-N 2.95Å; R784-D789 VanDerWaalsContact O-N 3.11Å; L787-D789 VanDerWaalsContact C-N 3.28Å; D789-F791 PolarHBondContact O-N 3.11Å; D789-R792 HydrophobicContact CB-CB 4.43Å; D789-R792 VanDerWaalsContact CG-CB 3.47Å; D789-R792 PolarHBondContact O-N 2.82Å; D789-R792 WeakPolarHBondContact OD1-CB 3.45Å; D789-R792 PolarHBondContact OD1-N 3.44Å; D789-R792 VanDerWaalsContact OD2-CB 3.3Å; D789-R792 WeakPolarHBondContact OD2-CB 3.37Å; D789-V793 WeakPolarHBondContact O-CG2 3.48Å; D789-V793 PolarHBondContact O-N 2.82Å | ||
| 790 | W | 89.4 | Confident | 87 | Confident | 53 Ų | 53 | 55.2 Ų | 55.2 | 20% | 0.201 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -63.9 | -27.1 | -173.1 | -61.3 | 107.1 | 0 | 0 | 0 | 113.7 | K785 G788 V793 A794 I812 G815 I816 | K785-W790 HydrophobicContact CD-CH2 4.43Å; K785-W790 HydrophobicContact CD-CZ3 4.34Å; K785-W790 HydrophobicContact CG-CH2 3.83Å; K785-W790 HydrophobicContact CG-CZ3 3.86Å; G788-W790 VanDerWaalsContact C-N 3.27Å; G788-W790 PolarHBondContact O-N 2.98Å; W790-V793 PolarHBondContact O-N 2.98Å; W790-A794 WeakPolarHBondContact O-CB 3.2Å; W790-A794 PolarHBondContact O-N 3.25Å; W790-I812 HydrophobicContact CE3-CG1 4.29Å; W790-I812 HydrophobicContact CZ3-CG1 4.4Å; W790-G815 VanDerWaalsContact CD1-CA 3.5Å; W790-G815 VanDerWaalsContact CD1-O 3.27Å; W790-I816 HydrophobicContact CB-CG1 3.65Å |
| 791 | F | 90.5 | Very high | 86.4 | Confident | 71 Ų | 71 | 58 Ų | 58 | 31% | 0.311 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -66.2 | -48 | 174.1 | -65.3 | -82.8 | 0 | 0 | 0 | 111.3 | D789 V793 A794 Q795 I816 Y819 Y820 | D789-F791 PolarHBondContact O-N 3.11Å; F791-V793 VanDerWaalsContact C-N 3.31Å; F791-V793 PolarHBondContact O-N 3.24Å; F791-A794 PolarHBondContact O-N 2.55Å; F791-Q795 PolarHBondContact O-N 3.32Å; F791-I816 HydrophobicContact CD1-CD1 4.44Å; F791-I816 HydrophobicContact CD1-CG1 4.49Å; F791-I816 HydrophobicContact CD1-CG2 4.42Å; F791-I816 HydrophobicContact CE1-CG1 4.5Å; F791-I816 HydrophobicContact CE1-CG2 3.67Å; F791-I816 HydrophobicContact CZ-CG2 3.74Å; F791-Y819 AromaticContact CE2-CD1 3.38Å; F791-Y819 HydrophobicContact CE2-CD1 3.38Å; F791-Y819 HydrophobicContact CE2-CD2 4.13Å; F791-Y819 AromaticContact CE2-CE1 3.59Å; F791-Y819 HydrophobicContact CE2-CE1 3.59Å; F791-Y819 HydrophobicContact CE2-CE2 4.3Å; F791-Y819 AromaticContact CE2-CG 3.66Å; F791-Y819 HydrophobicContact CE2-CG 3.66Å; F791-Y819 AromaticContact CZ-CD1 3.62Å; F791-Y819 HydrophobicContact CZ-CD1 3.62Å; F791-Y819 AromaticContact CZ-CE1 3.86Å; F791-Y819 HydrophobicContact CZ-CE1 3.86Å; F791-Y819 HydrophobicContact CZ-CG 4.27Å; F791-Y820 AromaticContact CE1-CE2 3.95Å; F791-Y820 HydrophobicContact CE1-CE2 3.95Å; F791-Y820 HydrophobicContact CZ-CD2 4.45Å; F791-Y820 AromaticContact CZ-CE2 3.61Å; F791-Y820 HydrophobicContact CZ-CE2 3.61Å; F791-Y820 AromaticContact CZ-CZ 3.74Å |
| 792 | R | 87.7 | Confident | 85.7 | Confident | 62 Ų | 62 | 59.9 Ų | 59.9 | 23% | 0.234 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -67.5 | -33.7 | 177 | -170.1 | 60 | 178 | 163 | 4.4 | 111.5 | E768 R784 D789 Q795 L796 | E768-R792 IonicContact OE1-CZ 2.88Å; E768-R792 VanDerWaalsContact OE1-CZ 3.29Å; E768-R792 IonicContact OE1-NE 3.8Å; E768-R792 PolarHBondContact OE1-NE 2.77Å; E768-R792 IonicContact OE1-NH2 3.93Å; E768-R792 PolarHBondContact OE1-NH2 2.93Å; E768-R792 IonicContact OE2-NE 3.11Å; E768-R792 PolarHBondContact OE2-NE 2.91Å; R784-R792 HydrophobicContact CG-CB 4.31Å; R784-R792 HydrophobicContact CG-CG 3.96Å; D789-R792 HydrophobicContact CB-CB 4.43Å; D789-R792 VanDerWaalsContact CG-CB 3.47Å; D789-R792 PolarHBondContact O-N 2.82Å; D789-R792 WeakPolarHBondContact OD1-CB 3.45Å; D789-R792 PolarHBondContact OD1-N 3.44Å; D789-R792 VanDerWaalsContact OD2-CB 3.3Å; D789-R792 WeakPolarHBondContact OD2-CB 3.37Å; R792-Q795 PolarHBondContact O-N 2.9Å; R792-L796 HydrophobicContact CG-CD1 4.07Å; R792-L796 HydrophobicContact CG-CG 4.24Å; R792-L796 WeakPolarHBondContact O-CB 3.26Å; R792-L796 VanDerWaalsContact O-CG 3.3Å; R792-L796 WeakPolarHBondContact O-CG 3.26Å; R792-L796 PolarHBondContact O-N 2.93Å |
| 793 | V | 88.9 | Confident | 84.8 | Confident | 3 Ų | 3 | 63.4 Ų | 63.4 | 2% | 0.018 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -59.6 | -47.9 | 171.7 | 172.7 | 0 | 0 | 0 | 0 | 111.4 | V781 R784 K785 D789 W790 F791 Q795 L796 T797 I812 | V781-V793 HydrophobicContact CG1-CG1 4.2Å; R784-V793 HydrophobicContact CB-CG2 3.55Å; K785-V793 HydrophobicContact CB-CG2 4.22Å; D789-V793 WeakPolarHBondContact O-CG2 3.48Å; D789-V793 PolarHBondContact O-N 2.82Å; W790-V793 PolarHBondContact O-N 2.98Å; F791-V793 VanDerWaalsContact C-N 3.31Å; F791-V793 PolarHBondContact O-N 3.24Å; V793-Q795 VanDerWaalsContact C-N 3.29Å; V793-Q795 PolarHBondContact O-N 3.39Å; V793-L796 PolarHBondContact O-N 3.04Å; V793-T797 HydrophobicContact CG1-CG2 4.42Å; V793-T797 WeakPolarHBondContact O-CB 3.43Å; V793-T797 VanDerWaalsContact O-CG2 3.3Å; V793-T797 WeakPolarHBondContact O-CG2 3.36Å; V793-T797 PolarHBondContact O-N 3.27Å; V793-T797 PolarHBondContact O-OG1 3.24Å; V793-I812 HydrophobicContact CG1-CD1 3.8Å; V793-I812 HydrophobicContact CG1-CG1 3.84Å |
| 794 | A | 87.6 | Confident | 84 | Confident | 27 Ų | 27 | 65.9 Ų | 65.9 | 22% | 0.223 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -61.5 | -37.5 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | W790 F791 T797 K798 I812 I816 | W790-A794 WeakPolarHBondContact O-CB 3.2Å; W790-A794 PolarHBondContact O-N 3.25Å; F791-A794 PolarHBondContact O-N 2.55Å; A794-T797 WeakPolarHBondContact CA-OG1 3.47Å; A794-T797 PolarHBondContact O-OG1 3.14Å; A794-K798 WeakPolarHBondContact O-CB 3.32Å; A794-K798 PolarHBondContact O-N 3.05Å; A794-I812 HydrophobicContact CB-CG2 3.78Å; A794-I816 HydrophobicContact CB-CD1 4.23Å |
| 795 | Q | 88.5 | Confident | 83.5 | Confident | 94 Ų | 94 | 72.4 Ų | 72.4 | 44% | 0.439 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -70.2 | -48.7 | 176.5 | -171.6 | 177.7 | 8.8 | 0 | 0 | 112 | F791 R792 V793 T797 K798 D799 | F791-Q795 PolarHBondContact O-N 3.32Å; R792-Q795 PolarHBondContact O-N 2.9Å; V793-Q795 VanDerWaalsContact C-N 3.29Å; V793-Q795 PolarHBondContact O-N 3.39Å; Q795-T797 VanDerWaalsContact C-N 3.33Å; Q795-T797 PolarHBondContact O-N 3.14Å; Q795-K798 PolarHBondContact O-N 3.23Å; Q795-D799 WeakPolarHBondContact CG-OD2 3.33Å; Q795-D799 WeakPolarHBondContact O-CB 3.42Å; Q795-D799 VanDerWaalsContact O-CG 3.27Å; Q795-D799 PolarHBondContact O-N 3.49Å |
| 796 | L | 86 | Confident | 83.2 | Confident | 4 Ų | 4 | 75 Ų | 75 | 2% | 0.021 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -61.6 | -41.2 | -179.5 | -74.9 | 173.3 | 0 | 0 | 0 | 112 | L772 V781 R784 R792 V793 K798 D799 T800 | L772-L796 HydrophobicContact CD1-CD2 4.15Å; L772-L796 HydrophobicContact CD2-CD2 4.45Å; V781-L796 HydrophobicContact CG2-CB 3.92Å; R784-L796 HydrophobicContact CG-CD1 3.9Å; R792-L796 HydrophobicContact CG-CD1 4.07Å; R792-L796 HydrophobicContact CG-CG 4.24Å; R792-L796 WeakPolarHBondContact O-CB 3.26Å; R792-L796 VanDerWaalsContact O-CG 3.3Å; R792-L796 WeakPolarHBondContact O-CG 3.26Å; R792-L796 PolarHBondContact O-N 2.93Å; V793-L796 PolarHBondContact O-N 3.04Å; L796-K798 VanDerWaalsContact C-N 3.31Å; L796-K798 PolarHBondContact O-N 3.43Å; L796-D799 PolarHBondContact O-N 2.87Å; L796-T800 VanDerWaalsContact O-CB 3.31Å; L796-T800 WeakPolarHBondContact O-CB 3.35Å; L796-T800 VanDerWaalsContact O-CG2 3.28Å; L796-T800 WeakPolarHBondContact O-CG2 3.49Å; L796-T800 PolarHBondContact O-N 2.84Å; L796-T800 PolarHBondContact O-OG1 3.31Å |
| 797 | T | 85.7 | Confident | 83 | Confident | 14 Ų | 14 | 75.9 Ų | 75.9 | 9% | 0.086 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -64.6 | -36.8 | 177.9 | 47.8 | 0 | 0 | 0 | 0 | 111.9 | V781 V793 A794 Q795 G801 M804 I812 | V781-T797 HydrophobicContact CG1-CG2 3.96Å; V781-T797 HydrophobicContact CG2-CG2 4.16Å; V793-T797 HydrophobicContact CG1-CG2 4.42Å; V793-T797 WeakPolarHBondContact O-CB 3.43Å; V793-T797 VanDerWaalsContact O-CG2 3.3Å; V793-T797 WeakPolarHBondContact O-CG2 3.36Å; V793-T797 PolarHBondContact O-N 3.27Å; V793-T797 PolarHBondContact O-OG1 3.24Å; A794-T797 WeakPolarHBondContact CA-OG1 3.47Å; A794-T797 PolarHBondContact O-OG1 3.14Å; Q795-T797 VanDerWaalsContact C-N 3.33Å; Q795-T797 PolarHBondContact O-N 3.14Å; T797-G801 PolarHBondContact O-N 2.89Å; T797-M804 HydrophobicContact CG2-CE 3.72Å; T797-M804 HydrophobicContact CG2-CG 4.46Å; T797-M804 HydrophobicContact CG2-SD 3.54Å; T797-M804 VanDerWaalsContact CG2-SD 3.54Å; T797-I812 HydrophobicContact CG2-CD1 4.41Å |
| 798 | K | 84.9 | Confident | 82.8 | Confident | 177 Ų | 177 | 76.2 Ų | 76.2 | 77% | 0.77 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -69.4 | -44.5 | 173.3 | -169.7 | 179.5 | -178.8 | -178.6 | 0 | 112.8 | A794 Q795 L796 | A794-K798 WeakPolarHBondContact O-CB 3.32Å; A794-K798 PolarHBondContact O-N 3.05Å; Q795-K798 PolarHBondContact O-N 3.23Å; L796-K798 VanDerWaalsContact C-N 3.31Å; L796-K798 PolarHBondContact O-N 3.43Å |
| 799 | D | 84.1 | Confident | 82.9 | Confident | 105 Ų | 105 | 78.5 Ų | 78.5 | 56% | 0.561 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -73 | -33.2 | -175.4 | -69.5 | -11.3 | 0 | 0 | 0 | 112.4 | Q795 L796 | Q795-D799 WeakPolarHBondContact CG-OD2 3.33Å; Q795-D799 WeakPolarHBondContact O-CB 3.42Å; Q795-D799 VanDerWaalsContact O-CG 3.27Å; Q795-D799 PolarHBondContact O-N 3.49Å; L796-D799 PolarHBondContact O-N 2.87Å |
| 800 | T | 77.6 | Confident | 83 | Confident | 51 Ų | 51 | 77.1 Ų | 77.1 | 31% | 0.313 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -89.1 | -11.4 | -177.8 | 58.2 | 0 | 0 | 0 | 0 | 113.8 | L772 L796 I802 | L772-T800 HydrophobicContact CD2-CG2 4.5Å; L796-T800 VanDerWaalsContact O-CB 3.31Å; L796-T800 WeakPolarHBondContact O-CB 3.35Å; L796-T800 VanDerWaalsContact O-CG2 3.28Å; L796-T800 WeakPolarHBondContact O-CG2 3.49Å; L796-T800 PolarHBondContact O-N 2.84Å; L796-T800 PolarHBondContact O-OG1 3.31Å; T800-I802 VanDerWaalsContact C-N 3.3Å; T800-I802 PolarHBondContact O-N 3.29Å; T800-I802 VanDerWaalsContact OG1-CD1 3.31Å; T800-I802 WeakPolarHBondContact OG1-CD1 3.41Å; T800-I802 WeakPolarHBondContact OG1-CG1 3.38Å |
| 801 | G | 75.2 | Confident | 83 | Confident | 59 Ų | 59 | 78.2 Ų | 78.2 | 61% | 0.608 | 40% | 0.404 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 69.7 | 22 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | T797 L803 | T797-G801 PolarHBondContact O-N 2.89Å; G801-L803 PolarHBondContact O-N 3.38Å |
| 802 | I | 71.9 | Confident | 83 | Confident | 63 Ų | 63 | 75.3 Ų | 75.3 | 32% | 0.323 | 39% | 0.391 | S | S | . | . | trans | -68.3 | 117.7 | 177.8 | -63.5 | 167.8 | 0 | 0 | 0 | 109 | V781 T800 M804 | V781-I802 HydrophobicContact CG2-CD1 4.16Å; T800-I802 VanDerWaalsContact C-N 3.3Å; T800-I802 PolarHBondContact O-N 3.29Å; T800-I802 VanDerWaalsContact OG1-CD1 3.31Å; T800-I802 WeakPolarHBondContact OG1-CD1 3.41Å; T800-I802 WeakPolarHBondContact OG1-CG1 3.38Å; I802-M804 PolarHBondContact O-N 2.97Å; I802-M804 VanDerWaalsContact O-N 3.13Å | ||
| 803 | L | 70.3 | Confident | 83.2 | Confident | 176 Ų | 176 | 75.5 Ų | 75.5 | 92% | 0.921 | 39% | 0.392 | S | S | * | . | trans | -66.9 | 105.3 | 173.3 | -88 | 145.8 | 0 | 0 | 0 | 109.9 | G801 | G801-L803 PolarHBondContact O-N 3.38Š| ||
| 804 | M | 70.5 | Confident | 83.3 | Confident | 54 Ų | 54 | 76.6 Ų | 76.6 | 27% | 0.266 | 40% | 0.398 | S | S | . | . | trans | -89.8 | 148.3 | 175.6 | -73.8 | -165.6 | -63.5 | 0 | 0 | 111.8 | T797 I802 E808 I812 | T797-M804 HydrophobicContact CG2-CE 3.72Å; T797-M804 HydrophobicContact CG2-CG 4.46Å; T797-M804 HydrophobicContact CG2-SD 3.54Å; T797-M804 VanDerWaalsContact CG2-SD 3.54Å; I802-M804 PolarHBondContact O-N 2.97Å; I802-M804 VanDerWaalsContact O-N 3.13Å; M804-E808 HydrophobicContact CB-CB 4.23Å; M804-E808 HydrophobicContact CG-CB 4.45Å; M804-E808 HydrophobicContact SD-CB 4.23Å; M804-I812 HydrophobicContact CE-CD1 3.26Å; M804-I812 HydrophobicContact SD-CD1 3.42Å; M804-I812 WeakPolarHBondContact SD-CD1 3.49Å | ||
| 805 | K | 80.4 | Confident | 83.5 | Confident | 156 Ų | 156 | 75.4 Ų | 75.4 | 68% | 0.678 | 39% | 0.388 | S | S | * | . | trans | -74.6 | 152.1 | 169.5 | -64.5 | 174.9 | -176.7 | 170.8 | 0 | 109.5 | L807 E808 Q809 | K805-L807 PolarHBondContact O-N 2.73Å; K805-E808 PolarHBondContact N-OE2 3.02Å; K805-E808 WeakPolarHBondContact O-CB 3.24Å; K805-E808 PolarHBondContact O-N 2.96Å; K805-Q809 PolarHBondContact O-N 3.18Å | ||
| 806 | D | 81.2 | Confident | 83.7 | Confident | 138 Ų | 138 | 71.1 Ų | 71.1 | 74% | 0.738 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -51.8 | -35.4 | 179.2 | -61.7 | -16.2 | 0 | 0 | 0 | 112.9 | Q809 A810 | D806-Q809 PolarHBondContact O-N 3.2Å; D806-A810 WeakPolarHBondContact O-CB 3.29Å; D806-A810 PolarHBondContact O-N 2.83Å |
| 807 | L | 84.4 | Confident | 83.9 | Confident | 127 Ų | 127 | 71 Ų | 71 | 67% | 0.665 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -64.2 | -43 | 175.9 | -170.7 | 70.1 | 0 | 0 | 0 | 112.6 | K805 Q809 A810 E811 | K805-L807 PolarHBondContact O-N 2.73Å; L807-Q809 VanDerWaalsContact C-N 3.33Å; L807-A810 PolarHBondContact O-N 3.16Å; L807-E811 WeakPolarHBondContact O-CG 3.34Å; L807-E811 PolarHBondContact O-N 3.45Å |
| 808 | E | 82.7 | Confident | 84.2 | Confident | 78 Ų | 78 | 73.1 Ų | 73.1 | 36% | 0.364 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -70 | -34.2 | 178.6 | -67.7 | 172.3 | 172.9 | 0 | 0 | 111.1 | M804 K805 E811 I812 | M804-E808 HydrophobicContact CB-CB 4.23Å; M804-E808 HydrophobicContact CG-CB 4.45Å; M804-E808 HydrophobicContact SD-CB 4.23Å; K805-E808 PolarHBondContact N-OE2 3.02Å; K805-E808 WeakPolarHBondContact O-CB 3.24Å; K805-E808 PolarHBondContact O-N 2.96Å; E808-E811 WeakPolarHBondContact O-CB 3.46Å; E808-E811 PolarHBondContact O-N 3.43Å; E808-I812 WeakPolarHBondContact O-CG1 3.2Å; E808-I812 PolarHBondContact O-N 2.84Å |
| 809 | Q | 85.5 | Confident | 84.5 | Confident | 86 Ų | 86 | 69.5 Ų | 69.5 | 40% | 0.402 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -67.7 | -41.9 | 173.8 | -170.9 | 173.4 | 1.6 | 0 | 0 | 111.5 | K805 D806 L807 E811 I812 W813 | K805-Q809 PolarHBondContact O-N 3.18Å; D806-Q809 PolarHBondContact O-N 3.2Å; L807-Q809 VanDerWaalsContact C-N 3.33Å; Q809-E811 VanDerWaalsContact C-N 3.32Å; Q809-E811 PolarHBondContact O-N 3.23Å; Q809-I812 PolarHBondContact O-N 3.24Å; Q809-W813 PolarHBondContact O-N 2.88Å |
| 810 | A | 89.1 | Confident | 84.8 | Confident | 21 Ų | 21 | 66.2 Ų | 66.2 | 17% | 0.174 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -61.3 | -39.9 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112 | D806 L807 I812 W813 N814 | D806-A810 WeakPolarHBondContact O-CB 3.29Å; D806-A810 PolarHBondContact O-N 2.83Å; L807-A810 PolarHBondContact O-N 3.16Å; A810-I812 VanDerWaalsContact C-N 3.33Å; A810-I812 PolarHBondContact O-N 3.18Å; A810-W813 PolarHBondContact O-N 2.79Å; A810-N814 WeakPolarHBondContact O-CB 3.26Å; A810-N814 VanDerWaalsContact O-CG 3.28Å; A810-N814 PolarHBondContact O-N 2.98Å; A810-N814 PolarHBondContact O-ND2 3.41Å |
| 811 | E | 90.1 | Very high | 85.5 | Confident | 77 Ų | 77 | 68.3 Ų | 68.3 | 36% | 0.36 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -58.5 | -42 | 174.3 | -76.7 | 178.7 | -174.4 | 0 | 0 | 112.5 | K785 L807 E808 Q809 N814 G815 | K785-E811 IonicContact NZ-OE2 3.23Å; K785-E811 PolarHBondContact NZ-OE2 3.18Å; L807-E811 WeakPolarHBondContact O-CG 3.34Å; L807-E811 PolarHBondContact O-N 3.45Å; E808-E811 WeakPolarHBondContact O-CB 3.46Å; E808-E811 PolarHBondContact O-N 3.43Å; Q809-E811 VanDerWaalsContact C-N 3.32Å; Q809-E811 PolarHBondContact O-N 3.23Å; E811-N814 PolarHBondContact O-N 2.81Å; E811-G815 PolarHBondContact O-N 3.26Å |
| 812 | I | 90.1 | Very high | 86 | Confident | 10 Ų | 10 | 69.8 Ų | 69.8 | 5% | 0.051 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -65 | -46.3 | 178.8 | -67.9 | 165.5 | 0 | 0 | 0 | 110.9 | W790 V793 A794 T797 M804 E808 Q809 A810 G815 I816 | W790-I812 HydrophobicContact CE3-CG1 4.29Å; W790-I812 HydrophobicContact CZ3-CG1 4.4Å; V793-I812 HydrophobicContact CG1-CD1 3.8Å; V793-I812 HydrophobicContact CG1-CG1 3.84Å; A794-I812 HydrophobicContact CB-CG2 3.78Å; T797-I812 HydrophobicContact CG2-CD1 4.41Å; M804-I812 HydrophobicContact CE-CD1 3.26Å; M804-I812 HydrophobicContact SD-CD1 3.42Å; M804-I812 WeakPolarHBondContact SD-CD1 3.49Å; E808-I812 WeakPolarHBondContact O-CG1 3.2Å; E808-I812 PolarHBondContact O-N 2.84Å; Q809-I812 PolarHBondContact O-N 3.24Å; A810-I812 VanDerWaalsContact C-N 3.33Å; A810-I812 PolarHBondContact O-N 3.18Å; I812-G815 PolarHBondContact O-N 3.03Å; I812-I816 HydrophobicContact CG2-CD1 4.15Å; I812-I816 WeakPolarHBondContact O-CG1 3.25Å; I812-I816 PolarHBondContact O-N 2.85Å |
| 813 | W | 92.5 | Very high | 86.7 | Confident | 66 Ų | 66 | 71.2 Ų | 71.2 | 25% | 0.25 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -63.8 | -43.1 | 178.3 | -64.8 | 130.1 | 0 | 0 | 0 | 112 | Q809 A810 G815 I816 G817 Y832 Q835 | Q809-W813 PolarHBondContact O-N 2.88Å; A810-W813 PolarHBondContact O-N 2.79Å; W813-G815 VanDerWaalsContact C-N 3.3Å; W813-G815 PolarHBondContact O-N 3.01Å; W813-I816 HydrophobicContact CE3-CD1 4.05Å; W813-I816 HydrophobicContact CZ3-CD1 4.15Å; W813-I816 PolarHBondContact O-N 2.82Å; W813-G817 PolarHBondContact O-N 3.03Å; W813-Y832 AromaticContact CE3-CD1 3.57Å; W813-Y832 HydrophobicContact CE3-CD1 3.57Å; W813-Y832 AromaticContact CE3-CE1 3.85Å; W813-Y832 HydrophobicContact CE3-CE1 3.85Å; W813-Y832 AromaticContact CZ3-CD1 3.96Å; W813-Y832 HydrophobicContact CZ3-CD1 3.96Å; W813-Y832 AromaticContact CZ3-CE1 3.73Å; W813-Y832 HydrophobicContact CZ3-CE1 3.73Å; W813-Q835 HydrophobicContact CB-CB 4.31Å; W813-Q835 HydrophobicContact CD2-CB 4.31Å; W813-Q835 HydrophobicContact CG-CB 3.99Å |
| 814 | N | 92.1 | Very high | 87.5 | Confident | 25 Ų | 25 | 69.7 Ų | 69.7 | 13% | 0.134 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -64 | -36 | 175.6 | -71.4 | -29.3 | 0 | 0 | 0 | 112 | A810 E811 G817 D818 G836 | A810-N814 WeakPolarHBondContact O-CB 3.26Å; A810-N814 VanDerWaalsContact O-CG 3.28Å; A810-N814 PolarHBondContact O-N 2.98Å; A810-N814 PolarHBondContact O-ND2 3.41Å; E811-N814 PolarHBondContact O-N 2.81Å; N814-G817 PolarHBondContact O-N 3Å; N814-D818 WeakPolarHBondContact O-CB 3.31Å; N814-D818 PolarHBondContact O-N 2.91Å; N814-G836 PolarHBondContact ND2-O 2.89Å |
| 815 | G | 90.8 | Very high | 88.4 | Confident | 3 Ų | 3 | 69.9 Ų | 69.9 | 3% | 0.031 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -65.6 | -39.6 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | W790 E811 I812 W813 D818 Y819 | W790-G815 VanDerWaalsContact CD1-CA 3.5Å; W790-G815 VanDerWaalsContact CD1-O 3.27Å; E811-G815 PolarHBondContact O-N 3.26Å; I812-G815 PolarHBondContact O-N 3.03Å; W813-G815 VanDerWaalsContact C-N 3.3Å; W813-G815 PolarHBondContact O-N 3.01Å; G815-D818 PolarHBondContact O-N 2.83Å; G815-Y819 PolarHBondContact O-N 3.46Å; G815-Y819 VanDerWaalsContact O-N 3.11Å |
| 816 | I | 92.1 | Very high | 88.9 | Confident | 4 Ų | 4 | 65 Ų | 65 | 2% | 0.021 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -67.8 | -39.8 | 172.1 | -64.6 | 171.7 | 0 | 0 | 0 | 110.5 | W790 F791 A794 I812 W813 D818 Y819 Y820 Y832 | W790-I816 HydrophobicContact CB-CG1 3.65Å; F791-I816 HydrophobicContact CD1-CD1 4.44Å; F791-I816 HydrophobicContact CD1-CG1 4.49Å; F791-I816 HydrophobicContact CD1-CG2 4.42Å; F791-I816 HydrophobicContact CE1-CG1 4.5Å; F791-I816 HydrophobicContact CE1-CG2 3.67Å; F791-I816 HydrophobicContact CZ-CG2 3.74Å; A794-I816 HydrophobicContact CB-CD1 4.23Å; I812-I816 HydrophobicContact CG2-CD1 4.15Å; I812-I816 WeakPolarHBondContact O-CG1 3.25Å; I812-I816 PolarHBondContact O-N 2.85Å; W813-I816 HydrophobicContact CE3-CD1 4.05Å; W813-I816 HydrophobicContact CZ3-CD1 4.15Å; W813-I816 PolarHBondContact O-N 2.82Å; I816-D818 VanDerWaalsContact C-N 3.35Å; I816-D818 PolarHBondContact O-N 2.99Å; I816-Y819 WeakPolarHBondContact O-CB 2.92Å; I816-Y819 PolarHBondContact O-N 3.12Å; I816-Y820 HydrophobicContact CG2-CD2 3.9Å; I816-Y820 HydrophobicContact CG2-CE2 3.66Å; I816-Y820 VanDerWaalsContact O-CD2 3.31Å; I816-Y820 WeakPolarHBondContact O-CD2 3.47Å; I816-Y820 PolarHBondContact O-N 3.06Å; I816-Y820 VanDerWaalsContact O-N 3.12Å; I816-Y832 HydrophobicContact CB-CD1 4.32Å; I816-Y832 HydrophobicContact CB-CG 4.33Å; I816-Y832 HydrophobicContact CG2-CD1 3.85Å; I816-Y832 HydrophobicContact CG2-CD2 3.71Å; I816-Y832 HydrophobicContact CG2-CE1 3.81Å; I816-Y832 HydrophobicContact CG2-CE2 3.73Å; I816-Y832 HydrophobicContact CG2-CG 3.78Å |
| 817 | G | 92 | Very high | 89.3 | Confident | 0 Ų | 0 | 62.3 Ų | 62.3 | 0% | 0 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -58.2 | -45.5 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112 | W813 N814 Y819 Y820 R821 Y833 | W813-G817 PolarHBondContact O-N 3.03Å; N814-G817 PolarHBondContact O-N 3Å; G817-Y819 VanDerWaalsContact C-N 3.3Å; G817-Y819 PolarHBondContact O-N 2.88Å; G817-Y820 PolarHBondContact O-N 2.53Å; G817-R821 WeakPolarHBondContact O-CB 3.1Å; G817-R821 PolarHBondContact O-N 3.09Å; G817-Y833 VanDerWaalsContact C-CZ 3.41Å; G817-Y833 VanDerWaalsContact C-OH 3.31Å; G817-Y833 PolarHBondContact O-OH 2.97Å |
| 818 | D | 91.9 | Very high | 89.6 | Confident | 59 Ų | 59 | 60.6 Ų | 60.6 | 32% | 0.316 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -61.9 | -36.1 | 176.8 | -71.4 | -19.6 | 0 | 0 | 0 | 112 | N814 G815 I816 R821 S822 Y833 K841 | N814-D818 WeakPolarHBondContact O-CB 3.31Å; N814-D818 PolarHBondContact O-N 2.91Å; G815-D818 PolarHBondContact O-N 2.83Å; I816-D818 VanDerWaalsContact C-N 3.35Å; I816-D818 PolarHBondContact O-N 2.99Å; D818-R821 PolarHBondContact O-N 2.87Å; D818-S822 PolarHBondContact O-N 2.83Å; D818-Y833 VanDerWaalsContact CA-OH 3.27Å; D818-Y833 WeakPolarHBondContact CA-OH 3.47Å; D818-Y833 PolarHBondContact N-OH 3.35Å; D818-Y833 WeakPolarHBondContact OD1-CE1 3.41Å; D818-Y833 PolarHBondContact OD1-OH 2.8Å; D818-K841 VanDerWaalsContact CG-NZ 3.31Å; D818-K841 IonicContact OD1-NZ 3.67Å; D818-K841 PolarHBondContact OD1-NZ 3.45Å; D818-K841 IonicContact OD2-NZ 3.7Å; D818-K841 PolarHBondContact OD2-NZ 2.85Å |
| 819 | Y | 90.3 | Very high | 90 | Very high | 101 Ų | 101 | 56.9 Ų | 56.9 | 40% | 0.396 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -61.6 | -49.7 | 172.3 | 175.5 | -90.3 | 0 | 0 | 0 | 111.9 | F791 G815 I816 G817 S822 Q823 | F791-Y819 AromaticContact CE2-CD1 3.38Å; F791-Y819 HydrophobicContact CE2-CD1 3.38Å; F791-Y819 HydrophobicContact CE2-CD2 4.13Å; F791-Y819 AromaticContact CE2-CE1 3.59Å; F791-Y819 HydrophobicContact CE2-CE1 3.59Å; F791-Y819 HydrophobicContact CE2-CE2 4.3Å; F791-Y819 AromaticContact CE2-CG 3.66Å; F791-Y819 HydrophobicContact CE2-CG 3.66Å; F791-Y819 AromaticContact CZ-CD1 3.62Å; F791-Y819 HydrophobicContact CZ-CD1 3.62Å; F791-Y819 AromaticContact CZ-CE1 3.86Å; F791-Y819 HydrophobicContact CZ-CE1 3.86Å; F791-Y819 HydrophobicContact CZ-CG 4.27Å; G815-Y819 PolarHBondContact O-N 3.46Å; G815-Y819 VanDerWaalsContact O-N 3.11Å; I816-Y819 WeakPolarHBondContact O-CB 2.92Å; I816-Y819 PolarHBondContact O-N 3.12Å; G817-Y819 VanDerWaalsContact C-N 3.3Å; G817-Y819 PolarHBondContact O-N 2.88Å; Y819-S822 PolarHBondContact O-N 3.26Å; Y819-S822 PolarHBondContact O-OG 3.49Å; Y819-Q823 VanDerWaalsContact CE1-NE2 3.33Å; Y819-Q823 PolarHBondContact O-N 2.84Å; Y819-Q823 PolarHBondContact OH-NE2 2.84Å |
| 820 | Y | 91.3 | Very high | 90.3 | Very high | 37 Ų | 37 | 53.4 Ų | 53.4 | 15% | 0.145 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -67.8 | -35.6 | 178.4 | -74.7 | -64.5 | 0 | 0 | 0 | 112.6 | F791 I816 G817 S822 Q823 M824 L825 K828 Y832 | F791-Y820 AromaticContact CE1-CE2 3.95Å; F791-Y820 HydrophobicContact CE1-CE2 3.95Å; F791-Y820 HydrophobicContact CZ-CD2 4.45Å; F791-Y820 AromaticContact CZ-CE2 3.61Å; F791-Y820 HydrophobicContact CZ-CE2 3.61Å; F791-Y820 AromaticContact CZ-CZ 3.74Å; I816-Y820 HydrophobicContact CG2-CD2 3.9Å; I816-Y820 HydrophobicContact CG2-CE2 3.66Å; I816-Y820 VanDerWaalsContact O-CD2 3.31Å; I816-Y820 WeakPolarHBondContact O-CD2 3.47Å; I816-Y820 PolarHBondContact O-N 3.06Å; I816-Y820 VanDerWaalsContact O-N 3.12Å; G817-Y820 PolarHBondContact O-N 2.53Å; Y820-S822 VanDerWaalsContact C-N 3.31Å; Y820-S822 PolarHBondContact O-N 3.19Å; Y820-Q823 CarbonylContact O-C 3.59Å; Y820-Q823 PolarHBondContact O-N 3.39Å; Y820-Q823 VanDerWaalsContact O-N 3.13Å; Y820-M824 PolarHBondContact O-N 3.21Å; Y820-L825 HydrophobicContact CD1-CB 4.17Å; Y820-L825 HydrophobicContact CD1-CD1 3.92Å; Y820-L825 HydrophobicContact CE1-CD1 4.34Å; Y820-L825 PolarHBondContact O-N 3.46Å; Y820-K828 HydrophobicContact CD1-CB 3.93Å; Y820-K828 HydrophobicContact CD1-CD 3.94Å; Y820-K828 HydrophobicContact CD2-CB 4.12Å; Y820-K828 HydrophobicContact CE1-CB 4.32Å; Y820-K828 HydrophobicContact CE1-CD 3.7Å; Y820-K828 HydrophobicContact CE2-CB 4.49Å; Y820-K828 HydrophobicContact CG-CB 3.82Å; Y820-Y832 AromaticContact CD2-CD2 3.57Å; Y820-Y832 HydrophobicContact CD2-CD2 3.57Å; Y820-Y832 AromaticContact CD2-CE2 3.53Å; Y820-Y832 HydrophobicContact CD2-CE2 3.53Å; Y820-Y832 AromaticContact CE2-CD2 3.76Å; Y820-Y832 HydrophobicContact CE2-CD2 3.76Å; Y820-Y832 AromaticContact CE2-CE2 3.19Å; Y820-Y832 HydrophobicContact CE2-CE2 3.19Å |
| 821 | R | 90.8 | Very high | 90.5 | Very high | 95 Ų | 95 | 56.9 Ų | 56.9 | 36% | 0.358 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -58.4 | -42.4 | 171.2 | 179.7 | 171.7 | 178.4 | -104.2 | 3 | 111.3 | G817 D818 Q823 M824 W826 A829 Y833 E844 | G817-R821 WeakPolarHBondContact O-CB 3.1Å; G817-R821 PolarHBondContact O-N 3.09Å; D818-R821 PolarHBondContact O-N 2.87Å; R821-Q823 PolarHBondContact O-N 2.82Å; R821-M824 PolarHBondContact O-N 2.82Å; R821-W826 HydrophobicContact CG-CH2 4.31Å; R821-W826 HydrophobicContact CG-CZ3 3.79Å; R821-A829 HydrophobicContact CB-CB 4.33Å; R821-Y833 HydrophobicContact CB-CE2 4.4Å; R821-Y833 WeakPolarHBondContact CB-OH 3.34Å; R821-Y833 WeakPolarHBondContact CD-OH 3.47Å; R821-E844 IonicContact CZ-OE1 3.28Å; R821-E844 IonicContact CZ-OE2 2.7Å; R821-E844 IonicContact NE-OE1 2.99Å; R821-E844 PolarHBondContact NE-OE1 2.83Å; R821-E844 IonicContact NE-OE2 3.49Å; R821-E844 IonicContact NH2-OE1 2.61Å; R821-E844 PolarHBondContact NH2-OE1 3.11Å; R821-E844 IonicContact NH2-OE2 3.74Å; R821-E844 PolarHBondContact NH2-OE2 3.37Å |
| 822 | S | 87 | Confident | 90.6 | Very high | 90 Ų | 90 | 55.9 Ų | 55.9 | 63% | 0.629 | 27% | 0.268 | S | S | * | . | H | α-helix | trans | -64.9 | -23.6 | 177.3 | 79.2 | 0 | 0 | 0 | 0 | 114.1 | D818 Y819 Y820 | D818-S822 PolarHBondContact O-N 2.83Å; Y819-S822 PolarHBondContact O-N 3.26Å; Y819-S822 PolarHBondContact O-OG 3.49Å; Y820-S822 VanDerWaalsContact C-N 3.31Å; Y820-S822 PolarHBondContact O-N 3.19Å |
| 823 | Q | 86.6 | Confident | 90.8 | Very high | 93 Ų | 93 | 55.4 Ų | 55.4 | 44% | 0.435 | 27% | 0.266 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.9 | 4.3 | 175.4 | -63.1 | -169.2 | 6.7 | 0 | 0 | 113.5 | Y819 Y820 R821 L825 | Y819-Q823 VanDerWaalsContact CE1-NE2 3.33Å; Y819-Q823 PolarHBondContact O-N 2.84Å; Y819-Q823 PolarHBondContact OH-NE2 2.84Å; Y820-Q823 CarbonylContact O-C 3.59Å; Y820-Q823 PolarHBondContact O-N 3.39Å; Y820-Q823 VanDerWaalsContact O-N 3.13Å; R821-Q823 PolarHBondContact O-N 2.82Å; Q823-L825 HydrophobicContact CB-CD1 4.24Å; Q823-L825 HydrophobicContact CB-CG 4.29Å; Q823-L825 PolarHBondContact O-N 2.98Å |
| 824 | M | 86.3 | Confident | 90.8 | Very high | 143 Ų | 143 | 59.1 Ų | 59.1 | 70% | 0.704 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.5 | 26.1 | -174.6 | -55.2 | -177.7 | 174.9 | 0 | 0 | 114.1 | Y820 R821 W826 | Y820-M824 PolarHBondContact O-N 3.21Å; R821-M824 PolarHBondContact O-N 2.82Å; M824-W826 HydrophobicContact CB-CZ2 4.45Å; M824-W826 HydrophobicContact CG-CZ2 4.39Å; M824-W826 VanDerWaalsContact O-CD1 3.26Å; M824-W826 PolarHBondContact O-N 3.48Å; M824-W826 PolarHBondContact O-NE1 2.86Å |
| 825 | L | 88.9 | Confident | 90.7 | Very high | 59 Ų | 59 | 62.9 Ų | 62.9 | 31% | 0.309 | 30% | 0.3 | S | S | . | . | trans | -92.3 | 74.7 | 173.6 | -67.9 | 172.6 | 0 | 0 | 0 | 109.4 | Y820 Q823 D827 K828 A829 | Y820-L825 HydrophobicContact CD1-CB 4.17Å; Y820-L825 HydrophobicContact CD1-CD1 3.92Å; Y820-L825 HydrophobicContact CE1-CD1 4.34Å; Y820-L825 PolarHBondContact O-N 3.46Å; Q823-L825 HydrophobicContact CB-CD1 4.24Å; Q823-L825 HydrophobicContact CB-CG 4.29Å; Q823-L825 PolarHBondContact O-N 2.98Å; L825-D827 VanDerWaalsContact C-N 3.33Å; L825-D827 PolarHBondContact O-N 2.82Å; L825-K828 PolarHBondContact O-N 2.89Å; L825-A829 WeakPolarHBondContact O-CB 3.48Å; L825-A829 PolarHBondContact O-N 2.67Å | ||
| 826 | W | 90.5 | Very high | 90.5 | Very high | 53 Ų | 53 | 63 Ų | 63 | 20% | 0.201 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -65.7 | -32.3 | -170.7 | -54.2 | 107.8 | 0 | 0 | 0 | 113.8 | R821 M824 S830 Q848 L849 | R821-W826 HydrophobicContact CG-CH2 4.31Å; R821-W826 HydrophobicContact CG-CZ3 3.79Å; M824-W826 HydrophobicContact CB-CZ2 4.45Å; M824-W826 HydrophobicContact CG-CZ2 4.39Å; M824-W826 VanDerWaalsContact O-CD1 3.26Å; M824-W826 PolarHBondContact O-N 3.48Å; M824-W826 PolarHBondContact O-NE1 2.86Å; W826-S830 WeakPolarHBondContact O-CB 3.14Å; W826-S830 PolarHBondContact O-N 2.87Å; W826-Q848 HydrophobicContact CD2-CB 3.67Å; W826-Q848 HydrophobicContact CD2-CG 4.06Å; W826-Q848 HydrophobicContact CE3-CB 3.95Å; W826-Q848 HydrophobicContact CE3-CG 3.96Å; W826-Q848 HydrophobicContact CG-CB 3.98Å; W826-Q848 HydrophobicContact CH2-CG 3.89Å; W826-Q848 HydrophobicContact CZ2-CB 4.31Å; W826-Q848 HydrophobicContact CZ2-CG 3.98Å; W826-Q848 HydrophobicContact CZ3-CB 4.37Å; W826-Q848 HydrophobicContact CZ3-CG 3.86Å; W826-L849 HydrophobicContact CB-CD1 4.17Å; W826-L849 HydrophobicContact CB-CD2 3.69Å; W826-L849 HydrophobicContact CB-CG 3.65Å |
| 827 | D | 89.9 | Confident | 90.3 | Very high | 81 Ų | 81 | 68.9 Ų | 68.9 | 43% | 0.433 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -58.7 | -54.8 | 176 | 61.1 | -31.6 | 0 | 0 | 0 | 110.8 | L825 S830 D831 | L825-D827 VanDerWaalsContact C-N 3.33Å; L825-D827 PolarHBondContact O-N 2.82Å; D827-S830 WeakPolarHBondContact O-CB 3.18Å; D827-S830 PolarHBondContact O-N 2.86Å; D827-S830 PolarHBondContact O-OG 3.27Å; D827-D831 PolarHBondContact O-N 2.71Å |
| 828 | K | 90.6 | Very high | 90.1 | Very high | 91 Ų | 91 | 71 Ų | 71 | 40% | 0.396 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -67.2 | -42.3 | 179 | -65.1 | -179.4 | -176 | 176.5 | 0 | 111.3 | Y820 L825 S830 D831 Y832 | Y820-K828 HydrophobicContact CD1-CB 3.93Å; Y820-K828 HydrophobicContact CD1-CD 3.94Å; Y820-K828 HydrophobicContact CD2-CB 4.12Å; Y820-K828 HydrophobicContact CE1-CB 4.32Å; Y820-K828 HydrophobicContact CE1-CD 3.7Å; Y820-K828 HydrophobicContact CE2-CB 4.49Å; Y820-K828 HydrophobicContact CG-CB 3.82Å; L825-K828 PolarHBondContact O-N 2.89Å; K828-S830 PolarHBondContact O-N 2.72Å; K828-D831 PolarHBondContact O-N 2.8Å; K828-Y832 WeakPolarHBondContact O-CD2 3.48Å; K828-Y832 PolarHBondContact O-N 2.99Å |
| 829 | A | 92.9 | Very high | 89.8 | Confident | 0 Ų | 0 | 71.3 Ų | 71.3 | 0% | 0 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -57.3 | -40.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | R821 L825 D831 Y832 Y833 | R821-A829 HydrophobicContact CB-CB 4.33Å; L825-A829 WeakPolarHBondContact O-CB 3.48Å; L825-A829 PolarHBondContact O-N 2.67Å; A829-D831 PolarHBondContact O-N 3.22Å; A829-Y832 PolarHBondContact O-N 3.42Å; A829-Y833 HydrophobicContact CB-CD2 4.31Å; A829-Y833 HydrophobicContact CB-CE2 3.95Å; A829-Y833 WeakPolarHBondContact O-CD2 3.09Å; A829-Y833 PolarHBondContact O-N 3.07Å |
| 830 | S | 91.8 | Very high | 89.7 | Confident | 14 Ų | 14 | 70.6 Ų | 70.6 | 10% | 0.098 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -61.6 | -42.8 | 179.7 | 82.3 | 0 | 0 | 0 | 0 | 112.9 | W826 D827 K828 Y832 Y833 K834 F842 | W826-S830 WeakPolarHBondContact O-CB 3.14Å; W826-S830 PolarHBondContact O-N 2.87Å; D827-S830 WeakPolarHBondContact O-CB 3.18Å; D827-S830 PolarHBondContact O-N 2.86Å; D827-S830 PolarHBondContact O-OG 3.27Å; K828-S830 PolarHBondContact O-N 2.72Å; S830-Y832 VanDerWaalsContact C-N 3.32Å; S830-Y832 PolarHBondContact O-N 3.16Å; S830-Y833 PolarHBondContact O-N 2.89Å; S830-K834 WeakPolarHBondContact O-CB 3.5Å; S830-K834 PolarHBondContact O-N 2.91Å; S830-F842 VanDerWaalsContact O-CD2 3.29Å; S830-F842 WeakPolarHBondContact O-CD2 3.23Å |
| 831 | D | 92.2 | Very high | 89.6 | Confident | 93 Ų | 93 | 71.3 Ų | 71.3 | 50% | 0.497 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -62.6 | -40.3 | 178.7 | -75.2 | -28.4 | 0 | 0 | 0 | 111.7 | D827 K828 A829 Q835 | D827-D831 PolarHBondContact O-N 2.71Å; K828-D831 PolarHBondContact O-N 2.8Å; A829-D831 PolarHBondContact O-N 3.22Å; D831-Q835 WeakPolarHBondContact O-CG 3.3Å; D831-Q835 PolarHBondContact O-N 3.3Å |
| 832 | Y | 93.2 | Very high | 89.7 | Confident | 56 Ų | 56 | 68.3 Ų | 68.3 | 22% | 0.22 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -74.5 | -39.8 | 179.5 | -70.5 | -65.3 | 0 | 0 | 0 | 112.8 | W813 I816 Y820 K828 A829 S830 K834 Q835 G836 | W813-Y832 AromaticContact CE3-CD1 3.57Å; W813-Y832 HydrophobicContact CE3-CD1 3.57Å; W813-Y832 AromaticContact CE3-CE1 3.85Å; W813-Y832 HydrophobicContact CE3-CE1 3.85Å; W813-Y832 AromaticContact CZ3-CD1 3.96Å; W813-Y832 HydrophobicContact CZ3-CD1 3.96Å; W813-Y832 AromaticContact CZ3-CE1 3.73Å; W813-Y832 HydrophobicContact CZ3-CE1 3.73Å; I816-Y832 HydrophobicContact CB-CD1 4.32Å; I816-Y832 HydrophobicContact CB-CG 4.33Å; I816-Y832 HydrophobicContact CG2-CD1 3.85Å; I816-Y832 HydrophobicContact CG2-CD2 3.71Å; I816-Y832 HydrophobicContact CG2-CE1 3.81Å; I816-Y832 HydrophobicContact CG2-CE2 3.73Å; I816-Y832 HydrophobicContact CG2-CG 3.78Å; Y820-Y832 AromaticContact CD2-CD2 3.57Å; Y820-Y832 HydrophobicContact CD2-CD2 3.57Å; Y820-Y832 AromaticContact CD2-CE2 3.53Å; Y820-Y832 HydrophobicContact CD2-CE2 3.53Å; Y820-Y832 AromaticContact CE2-CD2 3.76Å; Y820-Y832 HydrophobicContact CE2-CD2 3.76Å; Y820-Y832 AromaticContact CE2-CE2 3.19Å; Y820-Y832 HydrophobicContact CE2-CE2 3.19Å; K828-Y832 WeakPolarHBondContact O-CD2 3.48Å; K828-Y832 PolarHBondContact O-N 2.99Å; A829-Y832 PolarHBondContact O-N 3.42Å; S830-Y832 VanDerWaalsContact C-N 3.32Å; S830-Y832 PolarHBondContact O-N 3.16Å; Y832-K834 VanDerWaalsContact C-N 3.29Å; Y832-K834 PolarHBondContact O-N 3.5Å; Y832-Q835 PolarHBondContact O-N 3.37Å; Y832-G836 PolarHBondContact O-N 2.95Å |
| 833 | Y | 93.8 | Very high | 89.7 | Confident | 1 Ų | 1 | 64 Ų | 64 | 0% | 0.004 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -66.2 | -32.9 | 174.5 | -67 | -46.7 | 0 | 0 | 0 | 112.6 | G817 D818 R821 A829 S830 Q835 G836 N837 D838 K841 C845 | G817-Y833 VanDerWaalsContact C-CZ 3.41Å; G817-Y833 VanDerWaalsContact C-OH 3.31Å; G817-Y833 PolarHBondContact O-OH 2.97Å; D818-Y833 VanDerWaalsContact CA-OH 3.27Å; D818-Y833 WeakPolarHBondContact CA-OH 3.47Å; D818-Y833 PolarHBondContact N-OH 3.35Å; D818-Y833 WeakPolarHBondContact OD1-CE1 3.41Å; D818-Y833 PolarHBondContact OD1-OH 2.8Å; R821-Y833 HydrophobicContact CB-CE2 4.4Å; R821-Y833 WeakPolarHBondContact CB-OH 3.34Å; R821-Y833 WeakPolarHBondContact CD-OH 3.47Å; A829-Y833 HydrophobicContact CB-CD2 4.31Å; A829-Y833 HydrophobicContact CB-CE2 3.95Å; A829-Y833 WeakPolarHBondContact O-CD2 3.09Å; A829-Y833 PolarHBondContact O-N 3.07Å; S830-Y833 PolarHBondContact O-N 2.89Å; Y833-Q835 VanDerWaalsContact C-N 3.35Å; Y833-G836 CarbonylContact O-C 3.53Å; Y833-G836 PolarHBondContact O-N 3.3Å; Y833-N837 PolarHBondContact O-N 3.2Å; Y833-D838 PolarHBondContact O-N 2.69Å; Y833-K841 HydrophobicContact CD1-CB 3.84Å; Y833-K841 HydrophobicContact CD1-CD 3.81Å; Y833-K841 HydrophobicContact CD2-CB 3.83Å; Y833-K841 HydrophobicContact CE1-CB 3.96Å; Y833-K841 HydrophobicContact CE1-CD 3.31Å; Y833-K841 HydrophobicContact CE1-CG 4.29Å; Y833-K841 HydrophobicContact CE2-CB 3.92Å; Y833-K841 HydrophobicContact CE2-CD 4.45Å; Y833-K841 HydrophobicContact CG-CB 3.78Å; Y833-C845 WeakPolarHBondContact CD2-SG 3.4Å; Y833-C845 WeakPolarHBondContact CE2-SG 3.38Å |
| 834 | K | 91.3 | Very high | 89.8 | Confident | 144 Ų | 144 | 61.6 Ų | 61.6 | 63% | 0.626 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -63 | -40.9 | 171.5 | -173.3 | 177.9 | -179.9 | 179.1 | 0 | 111.8 | S830 Y832 N837 F842 | S830-K834 WeakPolarHBondContact O-CB 3.5Å; S830-K834 PolarHBondContact O-N 2.91Å; Y832-K834 VanDerWaalsContact C-N 3.29Å; Y832-K834 PolarHBondContact O-N 3.5Å; K834-N837 PolarHBondContact O-N 2.9Å; K834-F842 HydrophobicContact CB-CD2 4.16Å; K834-F842 HydrophobicContact CB-CE2 4.08Å; K834-F842 HydrophobicContact CB-CZ 4.48Å; K834-F842 HydrophobicContact CD-CZ 4.27Å |
| 835 | Q | 90.1 | Very high | 90 | Very high | 104 Ų | 104 | 54.8 Ų | 54.8 | 49% | 0.486 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -70.4 | -33.4 | 174.6 | -70.2 | 175.8 | 34.7 | 0 | 0 | 112.9 | W813 D831 Y832 Y833 N837 | W813-Q835 HydrophobicContact CB-CB 4.31Å; W813-Q835 HydrophobicContact CD2-CB 4.31Å; W813-Q835 HydrophobicContact CG-CB 3.99Å; D831-Q835 WeakPolarHBondContact O-CG 3.3Å; D831-Q835 PolarHBondContact O-N 3.3Å; Y832-Q835 PolarHBondContact O-N 3.37Å; Y833-Q835 VanDerWaalsContact C-N 3.35Å; Q835-N837 VanDerWaalsContact C-N 3.27Å; Q835-N837 PolarHBondContact O-N 2.81Å |
| 836 | G | 88.1 | Confident | 90 | Very high | 4 Ų | 4 | 52.4 Ų | 52.4 | 4% | 0.041 | 25% | 0.254 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79.9 | -1.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 115 | N814 Y832 Y833 D838 | N814-G836 PolarHBondContact ND2-O 2.89Å; Y832-G836 PolarHBondContact O-N 2.95Å; Y833-G836 CarbonylContact O-C 3.53Å; Y833-G836 PolarHBondContact O-N 3.3Å; G836-D838 PolarHBondContact O-N 3.46Å |
| 837 | N | 87.2 | Confident | 90 | Very high | 128 Ų | 128 | 52.5 Ų | 52.5 | 68% | 0.684 | 26% | 0.255 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.1 | 29.9 | -178.9 | -158.5 | 31.2 | 0 | 0 | 0 | 114.6 | Y833 K834 Q835 L839 | Y833-N837 PolarHBondContact O-N 3.2Å; K834-N837 PolarHBondContact O-N 2.9Å; Q835-N837 VanDerWaalsContact C-N 3.27Å; Q835-N837 PolarHBondContact O-N 2.81Å; N837-L839 PolarHBondContact O-N 2.99Å |
| 838 | D | 88 | Confident | 89.9 | Confident | 44 Ų | 44 | 53 Ų | 53 | 24% | 0.235 | 25% | 0.254 | C | S | . | . | trans | -94.4 | 88.7 | 174.3 | -169.5 | -24.4 | 0 | 0 | 0 | 110.1 | Y833 G836 L840 K841 F842 | Y833-D838 PolarHBondContact O-N 2.69Å; G836-D838 PolarHBondContact O-N 3.46Å; D838-L840 VanDerWaalsContact C-N 3.28Å; D838-L840 PolarHBondContact O-N 3.24Å; D838-L840 PolarHBondContact OD1-N 3.05Å; D838-K841 HydrophobicContact CB-CB 4.37Å; D838-K841 PolarHBondContact O-N 3.17Å; D838-K841 PolarHBondContact OD1-N 2.99Å; D838-K841 WeakPolarHBondContact OD2-CD 3.29Å; D838-K841 VanDerWaalsContact OD2-CE 3.25Å; D838-K841 WeakPolarHBondContact OD2-CE 3.3Å; D838-K841 WeakPolarHBondContact OD2-CG 3.37Å; D838-F842 VanDerWaalsContact O-CB 3.29Å; D838-F842 WeakPolarHBondContact O-CB 3.47Å; D838-F842 PolarHBondContact O-N 3.24Å | ||
| 839 | L | 85.9 | Confident | 89.9 | Confident | 66 Ų | 66 | 52.2 Ų | 52.2 | 35% | 0.346 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -62.7 | -31.4 | -174.6 | -64.6 | 176.1 | 0 | 0 | 0 | 113.3 | N837 A843 L862 | N837-L839 PolarHBondContact O-N 2.99Å; L839-A843 VanDerWaalsContact O-CB 3.28Å; L839-A843 WeakPolarHBondContact O-CB 3.19Å; L839-A843 PolarHBondContact O-N 2.61Å; L839-L862 HydrophobicContact CD1-CD2 4.14Å |
| 840 | L | 87.8 | Confident | 89.7 | Confident | 87 Ų | 87 | 59 Ų | 59 | 46% | 0.455 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -73.3 | -46.2 | -178.5 | -71.2 | 175.1 | 0 | 0 | 0 | 111.1 | D838 F842 A843 E844 A868 F872 | D838-L840 VanDerWaalsContact C-N 3.28Å; D838-L840 PolarHBondContact O-N 3.24Å; D838-L840 PolarHBondContact OD1-N 3.05Å; L840-F842 VanDerWaalsContact C-N 3.33Å; L840-A843 PolarHBondContact O-N 3.49Å; L840-E844 PolarHBondContact O-N 2.74Å; L840-A868 HydrophobicContact CD2-CB 3.91Å; L840-F872 HydrophobicContact CD2-CE1 4.4Å |
| 841 | K | 89.7 | Confident | 89.5 | Confident | 52 Ų | 52 | 61.5 Ų | 61.5 | 23% | 0.226 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -66.4 | -37.9 | 174.9 | -67.1 | -172.4 | -171.3 | -177.7 | 0 | 111.5 | D818 Y833 D838 E844 C845 | D818-K841 VanDerWaalsContact CG-NZ 3.31Å; D818-K841 IonicContact OD1-NZ 3.67Å; D818-K841 PolarHBondContact OD1-NZ 3.45Å; D818-K841 IonicContact OD2-NZ 3.7Å; D818-K841 PolarHBondContact OD2-NZ 2.85Å; Y833-K841 HydrophobicContact CD1-CB 3.84Å; Y833-K841 HydrophobicContact CD1-CD 3.81Å; Y833-K841 HydrophobicContact CD2-CB 3.83Å; Y833-K841 HydrophobicContact CE1-CB 3.96Å; Y833-K841 HydrophobicContact CE1-CD 3.31Å; Y833-K841 HydrophobicContact CE1-CG 4.29Å; Y833-K841 HydrophobicContact CE2-CB 3.92Å; Y833-K841 HydrophobicContact CE2-CD 4.45Å; Y833-K841 HydrophobicContact CG-CB 3.78Å; D838-K841 HydrophobicContact CB-CB 4.37Å; D838-K841 PolarHBondContact O-N 3.17Å; D838-K841 PolarHBondContact OD1-N 2.99Å; D838-K841 WeakPolarHBondContact OD2-CD 3.29Å; D838-K841 VanDerWaalsContact OD2-CE 3.25Å; D838-K841 WeakPolarHBondContact OD2-CE 3.3Å; D838-K841 WeakPolarHBondContact OD2-CG 3.37Å; K841-E844 WeakPolarHBondContact O-CB 3.2Å; K841-E844 PolarHBondContact O-N 3.45Å; K841-C845 PolarHBondContact O-N 2.67Å; K841-C845 PolarHBondContact O-SG 3.25Å |
| 842 | F | 91.5 | Very high | 89.4 | Confident | 31 Ų | 31 | 59.9 Ų | 59.9 | 14% | 0.136 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -60.7 | -47.1 | 174.2 | -178.9 | -123.6 | 0 | 0 | 0 | 111.7 | S830 K834 D838 L840 E844 C845 L846 I858 | S830-F842 VanDerWaalsContact O-CD2 3.29Å; S830-F842 WeakPolarHBondContact O-CD2 3.23Å; K834-F842 HydrophobicContact CB-CD2 4.16Å; K834-F842 HydrophobicContact CB-CE2 4.08Å; K834-F842 HydrophobicContact CB-CZ 4.48Å; K834-F842 HydrophobicContact CD-CZ 4.27Å; D838-F842 VanDerWaalsContact O-CB 3.29Å; D838-F842 WeakPolarHBondContact O-CB 3.47Å; D838-F842 PolarHBondContact O-N 3.24Å; L840-F842 VanDerWaalsContact C-N 3.33Å; F842-E844 VanDerWaalsContact C-N 3.31Å; F842-E844 PolarHBondContact O-N 3.45Å; F842-C845 WeakPolarHBondContact O-CB 3.33Å; F842-C845 PolarHBondContact O-N 3.36Å; F842-L846 HydrophobicContact CD1-CD1 4.15Å; F842-L846 HydrophobicContact CE1-CD1 3.71Å; F842-L846 HydrophobicContact CE1-CG 4.44Å; F842-L846 HydrophobicContact CE2-CD1 4.37Å; F842-L846 HydrophobicContact CE2-CD2 4.29Å; F842-L846 HydrophobicContact CE2-CG 4.26Å; F842-L846 HydrophobicContact CZ-CD1 3.82Å; F842-L846 HydrophobicContact CZ-CD2 4.21Å; F842-L846 HydrophobicContact CZ-CG 4.17Å; F842-L846 WeakPolarHBondContact O-CG 3.39Å; F842-L846 PolarHBondContact O-N 3.48Å; F842-I858 HydrophobicContact CD1-CD1 3.65Å; F842-I858 HydrophobicContact CE1-CD1 3.74Å; F842-I858 HydrophobicContact CE1-CG1 4.41Å |
| 843 | A | 87.1 | Confident | 89.1 | Confident | 0 Ų | 0 | 64.3 Ų | 64.3 | 0% | 0 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -64.9 | -32.2 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113 | L839 L840 L846 Y847 I858 F872 | L839-A843 VanDerWaalsContact O-CB 3.28Å; L839-A843 WeakPolarHBondContact O-CB 3.19Å; L839-A843 PolarHBondContact O-N 2.61Å; L840-A843 PolarHBondContact O-N 3.49Å; A843-L846 PolarHBondContact O-N 3.02Å; A843-Y847 VanDerWaalsContact O-CB 3.3Å; A843-Y847 WeakPolarHBondContact O-CB 3.45Å; A843-Y847 PolarHBondContact O-N 3.07Å; A843-I858 HydrophobicContact CB-CD1 4.42Å; A843-F872 HydrophobicContact CB-CD1 4.22Å; A843-F872 HydrophobicContact CB-CE1 3.3Å; A843-F872 HydrophobicContact CB-CZ 3.65Å |
| 844 | E | 88.2 | Confident | 88.8 | Confident | 42 Ų | 42 | 64.7 Ų | 64.7 | 20% | 0.196 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -63.3 | -44.6 | 171.2 | -168.9 | -170.9 | 160 | 0 | 0 | 111.5 | R821 L840 K841 F842 Y847 Q848 | R821-E844 IonicContact CZ-OE1 3.28Å; R821-E844 IonicContact CZ-OE2 2.7Å; R821-E844 IonicContact NE-OE1 2.99Å; R821-E844 PolarHBondContact NE-OE1 2.83Å; R821-E844 IonicContact NE-OE2 3.49Å; R821-E844 IonicContact NH2-OE1 2.61Å; R821-E844 PolarHBondContact NH2-OE1 3.11Å; R821-E844 IonicContact NH2-OE2 3.74Å; R821-E844 PolarHBondContact NH2-OE2 3.37Å; L840-E844 PolarHBondContact O-N 2.74Å; K841-E844 WeakPolarHBondContact O-CB 3.2Å; K841-E844 PolarHBondContact O-N 3.45Å; F842-E844 VanDerWaalsContact C-N 3.31Å; F842-E844 PolarHBondContact O-N 3.45Å; E844-Y847 WeakPolarHBondContact O-CB 3.22Å; E844-Y847 PolarHBondContact O-N 2.89Å; E844-Q848 WeakPolarHBondContact O-CG 3.09Å; E844-Q848 PolarHBondContact O-N 2.92Å |
| 845 | C | 90.9 | Very high | 88.7 | Confident | 0 Ų | 0 | 57.9 Ų | 57.9 | 0% | 0 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -61.4 | -44.6 | 174.6 | -66.9 | 0 | 0 | 0 | 0 | 111.9 | Y833 K841 F842 Y847 Q848 L849 | Y833-C845 WeakPolarHBondContact CD2-SG 3.4Å; Y833-C845 WeakPolarHBondContact CE2-SG 3.38Å; K841-C845 PolarHBondContact O-N 2.67Å; K841-C845 PolarHBondContact O-SG 3.25Å; F842-C845 WeakPolarHBondContact O-CB 3.33Å; F842-C845 PolarHBondContact O-N 3.36Å; C845-Y847 VanDerWaalsContact C-N 3.3Å; C845-Y847 PolarHBondContact O-N 2.89Å; C845-Q848 PolarHBondContact O-N 3.15Å; C845-L849 WeakPolarHBondContact O-CB 3.32Å; C845-L849 VanDerWaalsContact O-CG 3.3Å; C845-L849 WeakPolarHBondContact O-CG 3.34Å; C845-L849 PolarHBondContact O-N 2.82Å |
| 846 | L | 90.2 | Very high | 88.6 | Confident | 9 Ų | 9 | 56.4 Ų | 56.4 | 5% | 0.047 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -62.5 | -37.8 | 176.1 | -66.3 | 176.7 | 0 | 0 | 0 | 112.1 | F842 A843 L849 E850 D851 I855 I858 | F842-L846 HydrophobicContact CD1-CD1 4.15Å; F842-L846 HydrophobicContact CE1-CD1 3.71Å; F842-L846 HydrophobicContact CE1-CG 4.44Å; F842-L846 HydrophobicContact CE2-CD1 4.37Å; F842-L846 HydrophobicContact CE2-CD2 4.29Å; F842-L846 HydrophobicContact CE2-CG 4.26Å; F842-L846 HydrophobicContact CZ-CD1 3.82Å; F842-L846 HydrophobicContact CZ-CD2 4.21Å; F842-L846 HydrophobicContact CZ-CG 4.17Å; F842-L846 WeakPolarHBondContact O-CG 3.39Å; F842-L846 PolarHBondContact O-N 3.48Å; A843-L846 PolarHBondContact O-N 3.02Å; L846-L849 CarbonylContact O-C 3.59Å; L846-L849 PolarHBondContact O-N 3.26Å; L846-E850 PolarHBondContact O-N 2.7Å; L846-E850 VanDerWaalsContact O-N 3.08Å; L846-D851 HydrophobicContact CD2-CB 4.1Å; L846-D851 PolarHBondContact O-N 2.95Å; L846-I855 HydrophobicContact CB-CD1 4.4Å; L846-I855 HydrophobicContact CB-CG1 3.9Å; L846-I855 HydrophobicContact CD1-CG1 4.35Å; L846-I858 HydrophobicContact CD1-CD1 3.65Å |
| 847 | Y | 88.7 | Confident | 88.6 | Confident | 56 Ų | 56 | 64 Ų | 64 | 22% | 0.22 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -63.8 | -41.3 | 175.4 | -175.9 | -89.3 | 0 | 0 | 0 | 112 | A843 E844 C845 E850 Y852 I855 R875 L879 | A843-Y847 VanDerWaalsContact O-CB 3.3Å; A843-Y847 WeakPolarHBondContact O-CB 3.45Å; A843-Y847 PolarHBondContact O-N 3.07Å; E844-Y847 WeakPolarHBondContact O-CB 3.22Å; E844-Y847 PolarHBondContact O-N 2.89Å; C845-Y847 VanDerWaalsContact C-N 3.3Å; C845-Y847 PolarHBondContact O-N 2.89Å; Y847-E850 PolarHBondContact O-N 2.86Å; Y847-Y852 HydrophobicContact CD2-CE1 4.45Å; Y847-I855 HydrophobicContact CD2-CD1 4.36Å; Y847-R875 HydrophobicContact CD2-CB 4.12Å; Y847-R875 HydrophobicContact CD2-CG 4.39Å; Y847-R875 HydrophobicContact CE2-CB 3.85Å; Y847-R875 HydrophobicContact CE2-CG 4.25Å; Y847-L879 HydrophobicContact CD2-CD1 4.21Å; Y847-L879 HydrophobicContact CE2-CD1 3.49Å; Y847-L879 VanDerWaalsContact CE2-CD1 3.49Å; Y847-L879 HydrophobicContact CE2-CD2 4.35Å; Y847-L879 HydrophobicContact CE2-CG 3.94Å |
| 848 | Q | 89.3 | Confident | 88.6 | Confident | 91 Ų | 91 | 58.4 Ų | 58.4 | 43% | 0.425 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -72.5 | -29.5 | 176.2 | -64.8 | -65.1 | -16.5 | 0 | 0 | 113.2 | W826 E844 C845 | W826-Q848 HydrophobicContact CD2-CB 3.67Å; W826-Q848 HydrophobicContact CD2-CG 4.06Å; W826-Q848 HydrophobicContact CE3-CB 3.95Å; W826-Q848 HydrophobicContact CE3-CG 3.96Å; W826-Q848 HydrophobicContact CG-CB 3.98Å; W826-Q848 HydrophobicContact CH2-CG 3.89Å; W826-Q848 HydrophobicContact CZ2-CB 4.31Å; W826-Q848 HydrophobicContact CZ2-CG 3.98Å; W826-Q848 HydrophobicContact CZ3-CB 4.37Å; W826-Q848 HydrophobicContact CZ3-CG 3.86Å; E844-Q848 WeakPolarHBondContact O-CG 3.09Å; E844-Q848 PolarHBondContact O-N 2.92Å; C845-Q848 PolarHBondContact O-N 3.15Å |
| 849 | L | 90 | Very high | 88.5 | Confident | 75 Ų | 75 | 56.5 Ų | 56.5 | 39% | 0.393 | 26% | 0.261 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.6 | -2.6 | 172.2 | -71.4 | 169.9 | 0 | 0 | 0 | 113.1 | W826 C845 L846 D851 | W826-L849 HydrophobicContact CB-CD1 4.17Å; W826-L849 HydrophobicContact CB-CD2 3.69Å; W826-L849 HydrophobicContact CB-CG 3.65Å; C845-L849 WeakPolarHBondContact O-CB 3.32Å; C845-L849 VanDerWaalsContact O-CG 3.3Å; C845-L849 WeakPolarHBondContact O-CG 3.34Å; C845-L849 PolarHBondContact O-N 2.82Å; L846-L849 CarbonylContact O-C 3.59Å; L846-L849 PolarHBondContact O-N 3.26Å; L849-D851 PolarHBondContact O-N 3.43Å |
| 850 | E | 88.3 | Confident | 88.6 | Confident | 141 Ų | 141 | 59.2 Ų | 59.2 | 66% | 0.659 | 27% | 0.271 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.9 | 22.9 | -174.2 | -54.7 | -178.7 | 170.1 | 0 | 0 | 113.9 | L846 Y847 Y852 | L846-E850 PolarHBondContact O-N 2.7Å; L846-E850 VanDerWaalsContact O-N 3.08Å; Y847-E850 PolarHBondContact O-N 2.86Å; E850-Y852 VanDerWaalsContact C-N 3.29Å; E850-Y852 HydrophobicContact CB-CE2 4.13Å; E850-Y852 WeakPolarHBondContact O-CD2 3.36Å; E850-Y852 PolarHBondContact O-N 3.18Å |
| 851 | D | 89 | Confident | 88.5 | Confident | 67 Ų | 67 | 63 Ų | 63 | 36% | 0.358 | 29% | 0.287 | S | S | . | . | trans | -84.8 | 71.4 | 174.8 | -172.6 | 8.9 | 0 | 0 | 0 | 111.3 | L846 L849 K853 G854 I855 | L846-D851 HydrophobicContact CD2-CB 4.1Å; L846-D851 PolarHBondContact O-N 2.95Å; L849-D851 PolarHBondContact O-N 3.43Å; D851-K853 PolarHBondContact O-N 3.28Å; D851-K853 PolarHBondContact OD1-N 2.9Å; D851-G854 PolarHBondContact O-N 2.85Å; D851-G854 VanDerWaalsContact O-N 3.13Å; D851-G854 PolarHBondContact OD1-N 3.27Å; D851-I855 PolarHBondContact O-N 3.26Å | ||
| 852 | Y | 88.6 | Confident | 88.3 | Confident | 60 Ų | 60 | 61.3 Ų | 61.3 | 24% | 0.235 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -64.7 | -27.6 | 179.3 | -55.6 | -48.2 | 0 | 0 | 0 | 113.4 | Y847 E850 G854 I855 E856 F876 L879 M881 | Y847-Y852 HydrophobicContact CD2-CE1 4.45Å; E850-Y852 VanDerWaalsContact C-N 3.29Å; E850-Y852 HydrophobicContact CB-CE2 4.13Å; E850-Y852 WeakPolarHBondContact O-CD2 3.36Å; E850-Y852 PolarHBondContact O-N 3.18Å; Y852-G854 VanDerWaalsContact C-N 3.33Å; Y852-I855 PolarHBondContact O-N 3.3Å; Y852-E856 PolarHBondContact O-N 3.13Å; Y852-F876 HydrophobicContact CD1-CE1 4.22Å; Y852-F876 HydrophobicContact CG-CE1 4.38Å; Y852-L879 HydrophobicContact CD1-CD1 3.9Å; Y852-L879 HydrophobicContact CE1-CD1 3.32Å; Y852-M881 HydrophobicContact CD2-CE 4.47Å; Y852-M881 HydrophobicContact CD2-SD 4.06Å; Y852-M881 HydrophobicContact CG-SD 4.05Å |
| 853 | K | 88.5 | Confident | 88.1 | Confident | 149 Ų | 149 | 63.9 Ų | 63.9 | 65% | 0.648 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -69.3 | -35.1 | 174.5 | -68.2 | -176.5 | -179.4 | 177.8 | 0 | 111.1 | D851 I855 E856 R857 | D851-K853 PolarHBondContact O-N 3.28Å; D851-K853 PolarHBondContact OD1-N 2.9Å; K853-I855 VanDerWaalsContact C-N 3.33Å; K853-E856 PolarHBondContact O-N 3.47Å; K853-R857 WeakPolarHBondContact O-CG 3.33Å; K853-R857 PolarHBondContact O-N 3.26Å; K853-R857 VanDerWaalsContact O-N 3.12Å |
| 854 | G | 86.9 | Confident | 87.9 | Confident | 8 Ų | 8 | 69.5 Ų | 69.5 | 8% | 0.082 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -58.1 | -45.2 | 170.7 | 0 | 0 | 0 | 0 | 0 | 112 | D851 Y852 R857 I858 | D851-G854 PolarHBondContact O-N 2.85Å; D851-G854 VanDerWaalsContact O-N 3.13Å; D851-G854 PolarHBondContact OD1-N 3.27Å; Y852-G854 VanDerWaalsContact C-N 3.33Å; G854-R857 PolarHBondContact O-N 3.26Å; G854-I858 WeakPolarHBondContact O-CG1 3.43Å; G854-I858 PolarHBondContact O-N 3.19Å |
| 855 | I | 88.8 | Confident | 87.6 | Confident | 2 Ų | 2 | 71.3 Ų | 71.3 | 1% | 0.01 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -66 | -39.2 | 176.9 | -57.6 | 174.9 | 0 | 0 | 0 | 111.4 | L846 Y847 D851 Y852 K853 R857 I858 I859 F872 F876 | L846-I855 HydrophobicContact CB-CD1 4.4Å; L846-I855 HydrophobicContact CB-CG1 3.9Å; L846-I855 HydrophobicContact CD1-CG1 4.35Å; Y847-I855 HydrophobicContact CD2-CD1 4.36Å; D851-I855 PolarHBondContact O-N 3.26Å; Y852-I855 PolarHBondContact O-N 3.3Å; K853-I855 VanDerWaalsContact C-N 3.33Å; I855-R857 VanDerWaalsContact C-N 3.35Å; I855-R857 PolarHBondContact O-N 3.16Å; I855-I858 WeakPolarHBondContact O-CB 3.42Å; I855-I858 PolarHBondContact O-N 3.25Å; I855-I859 HydrophobicContact CG2-CD1 4.35Å; I855-I859 WeakPolarHBondContact O-CG1 3.37Å; I855-I859 PolarHBondContact O-N 3Å; I855-F872 HydrophobicContact CG2-CB 4.31Å; I855-F872 HydrophobicContact CG2-CD1 4.45Å; I855-F872 HydrophobicContact CG2-CG 4.24Å; I855-F876 HydrophobicContact CB-CE2 4.39Å; I855-F876 HydrophobicContact CB-CZ 3.89Å; I855-F876 HydrophobicContact CG2-CE2 3.73Å; I855-F876 HydrophobicContact CG2-CZ 3.73Å |
| 856 | E | 87.5 | Confident | 87.3 | Confident | 73 Ų | 73 | 74.8 Ų | 74.8 | 34% | 0.341 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -59.7 | -42 | 176.3 | -170 | 171.5 | -154.6 | 0 | 0 | 112.1 | Y852 K853 I858 I859 E860 | Y852-E856 PolarHBondContact O-N 3.13Å; K853-E856 PolarHBondContact O-N 3.47Å; E856-I858 VanDerWaalsContact C-N 3.35Å; E856-I858 PolarHBondContact O-N 3.01Å; E856-I859 WeakPolarHBondContact O-CB 3.21Å; E856-I859 PolarHBondContact O-N 3.28Å; E856-E860 PolarHBondContact O-N 2.92Å |
| 857 | R | 88.3 | Confident | 87 | Confident | 162 Ų | 162 | 81.4 Ų | 81.4 | 61% | 0.611 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -61.6 | -41 | 173.8 | -68 | 174.8 | -172.3 | 162 | 3.2 | 112.4 | K853 G854 I855 I859 E860 E861 | K853-R857 WeakPolarHBondContact O-CG 3.33Å; K853-R857 PolarHBondContact O-N 3.26Å; K853-R857 VanDerWaalsContact O-N 3.12Å; G854-R857 PolarHBondContact O-N 3.26Å; I855-R857 VanDerWaalsContact C-N 3.35Å; I855-R857 PolarHBondContact O-N 3.16Å; R857-I859 VanDerWaalsContact C-N 3.32Å; R857-I859 PolarHBondContact O-N 2.95Å; R857-E860 PolarHBondContact O-N 2.98Å; R857-E861 WeakPolarHBondContact O-CG 3.5Å; R857-E861 PolarHBondContact O-N 3.32Å |
| 858 | I | 87.2 | Confident | 86.8 | Confident | 12 Ų | 12 | 79.2 Ų | 79.2 | 6% | 0.062 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -62.7 | -42.2 | 175.6 | -61.6 | 169.2 | 0 | 0 | 0 | 110.1 | F842 A843 L846 G854 I855 E856 E860 E861 L862 F872 | F842-I858 HydrophobicContact CD1-CD1 3.65Å; F842-I858 HydrophobicContact CE1-CD1 3.74Å; F842-I858 HydrophobicContact CE1-CG1 4.41Å; A843-I858 HydrophobicContact CB-CD1 4.42Å; L846-I858 HydrophobicContact CD1-CD1 3.65Å; G854-I858 WeakPolarHBondContact O-CG1 3.43Å; G854-I858 PolarHBondContact O-N 3.19Å; I855-I858 WeakPolarHBondContact O-CB 3.42Å; I855-I858 PolarHBondContact O-N 3.25Å; E856-I858 VanDerWaalsContact C-N 3.35Å; E856-I858 PolarHBondContact O-N 3.01Å; I858-E860 VanDerWaalsContact C-N 3.33Å; I858-E860 PolarHBondContact O-N 2.96Å; I858-E861 PolarHBondContact O-N 2.69Å; I858-L862 HydrophobicContact CG2-CD1 4.01Å; I858-L862 HydrophobicContact CG2-CG 4.32Å; I858-L862 VanDerWaalsContact O-CG 3.26Å; I858-L862 WeakPolarHBondContact O-CG 3.38Å; I858-L862 PolarHBondContact O-N 3.44Å; I858-F872 HydrophobicContact CG2-CE2 3.78Å; I858-F872 HydrophobicContact CG2-CZ 4.23Å |
| 859 | I | 87 | Confident | 86.7 | Confident | 4 Ų | 4 | 74.9 Ų | 74.9 | 2% | 0.021 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -61.3 | -41.4 | 176.2 | -71.7 | 174.3 | 0 | 0 | 0 | 111.2 | I855 E856 R857 L869 F872 F876 A888 K891 | I855-I859 HydrophobicContact CG2-CD1 4.35Å; I855-I859 WeakPolarHBondContact O-CG1 3.37Å; I855-I859 PolarHBondContact O-N 3Å; E856-I859 WeakPolarHBondContact O-CB 3.21Å; E856-I859 PolarHBondContact O-N 3.28Å; R857-I859 VanDerWaalsContact C-N 3.32Å; R857-I859 PolarHBondContact O-N 2.95Å; I859-L869 HydrophobicContact CB-CD2 4.19Å; I859-L869 HydrophobicContact CG1-CD2 4.08Å; I859-L869 HydrophobicContact CG2-CD2 3.85Å; I859-F872 HydrophobicContact CD1-CB 3.83Å; I859-F872 HydrophobicContact CD1-CD2 4.42Å; I859-F872 HydrophobicContact CG1-CB 4.09Å; I859-F872 HydrophobicContact CG1-CD2 3.74Å; I859-F872 HydrophobicContact CG1-CG 4.34Å; I859-F876 HydrophobicContact CD1-CD2 4.08Å; I859-F876 HydrophobicContact CD1-CE2 3.57Å; I859-A888 HydrophobicContact CD1-CB 4.04Å; I859-K891 HydrophobicContact CG2-CD 4.26Å; I859-K891 PolarHBondContact O-NZ 2.78Å |
| 860 | E | 87.3 | Confident | 86.7 | Confident | 123 Ų | 123 | 75.1 Ų | 75.1 | 58% | 0.575 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -64.5 | -42.3 | 178.1 | -73.4 | -178.9 | 171 | 0 | 0 | 112.5 | E856 R857 I858 K891 | E856-E860 PolarHBondContact O-N 2.92Å; R857-E860 PolarHBondContact O-N 2.98Å; I858-E860 VanDerWaalsContact C-N 3.33Å; I858-E860 PolarHBondContact O-N 2.96Å; E860-K891 PolarHBondContact O-NZ 2.82Å |
| 861 | E | 86.1 | Confident | 86.6 | Confident | 167 Ų | 167 | 71 Ų | 71 | 78% | 0.78 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -72.1 | -27.4 | -179.6 | -71.4 | 177.3 | -176 | 0 | 0 | 113.6 | R857 I858 | R857-E861 WeakPolarHBondContact O-CG 3.5Å; R857-E861 PolarHBondContact O-N 3.32Å; I858-E861 PolarHBondContact O-N 2.69Å |
| 862 | L | 85.8 | Confident | 86.6 | Confident | 15 Ų | 15 | 67.9 Ų | 67.9 | 8% | 0.079 | 33% | 0.333 | C | S | . | . | S | Bend | trans | -70 | 142.8 | 179.8 | -77.9 | 172.8 | 0 | 0 | 0 | 112.4 | L839 I858 H866 A868 L869 F872 K891 | L839-L862 HydrophobicContact CD1-CD2 4.14Å; I858-L862 HydrophobicContact CG2-CD1 4.01Å; I858-L862 HydrophobicContact CG2-CG 4.32Å; I858-L862 VanDerWaalsContact O-CG 3.26Å; I858-L862 WeakPolarHBondContact O-CG 3.38Å; I858-L862 PolarHBondContact O-N 3.44Å; L862-H866 HydrophobicContact CB-CB 4.37Å; L862-H866 HydrophobicContact CD2-CB 4.47Å; L862-A868 HydrophobicContact CD1-CB 4.35Å; L862-L869 HydrophobicContact CB-CD2 4.1Å; L862-L869 HydrophobicContact CB-CG 4.47Å; L862-L869 HydrophobicContact CD1-CD2 4.01Å; L862-L869 HydrophobicContact CD1-CG 4.38Å; L862-F872 HydrophobicContact CD1-CD2 4.27Å; L862-F872 HydrophobicContact CD1-CE2 3.68Å; L862-K891 VanDerWaalsContact O-CE 3.29Å; L862-K891 WeakPolarHBondContact O-CE 3.03Å; L862-K891 PolarHBondContact O-NZ 3Å |
| 863 | P | 85.8 | Confident | 86.5 | Confident | 86 Ų | 86 | 65 Ų | 65 | 56% | 0.558 | 32% | 0.322 | S | S | * | . | P | Polyproline II helix | trans | -59.7 | 149 | 172.6 | -19.5 | 30.4 | 0 | 0 | 0 | 112.2 | H866 L869 | P863-H866 VanDerWaalsContact O-CB 3.32Å; P863-H866 WeakPolarHBondContact O-CB 3.36Å; P863-H866 PolarHBondContact O-N 3.31Å; P863-L869 WeakPolarHBondContact O-CD1 3.44Å |
| 864 | D | 83.3 | Confident | 86.5 | Confident | 118 Ų | 118 | 60.6 Ų | 60.6 | 63% | 0.631 | 31% | 0.305 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.9 | 141.5 | 169.7 | -66.8 | -8.4 | 0 | 0 | 0 | 109.9 | H866 K891 | D864-H866 VanDerWaalsContact C-N 3.31Å; D864-H866 PolarHBondContact O-N 2.68Å; D864-K891 WeakPolarHBondContact OD1-CE 3.32Å; D864-K891 VanDerWaalsContact OD1-CG 3.32Å; D864-K891 WeakPolarHBondContact OD1-CG 3.47Å |
| 865 | C | 81.6 | Confident | 86.5 | Confident | 79 Ų | 79 | 62.8 Ų | 62.8 | 53% | 0.534 | 31% | 0.311 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 64.7 | 17 | -175.6 | -55.5 | 0 | 0 | 0 | 0 | 116.8 | K891 | C865-K891 PolarHBondContact N-O 2.84Å; C865-K891 VanDerWaalsContact N-O 3.09Å |
| 866 | H | 85.5 | Confident | 86.6 | Confident | 73 Ų | 73 | 62.8 Ų | 62.8 | 34% | 0.338 | 31% | 0.311 | S | S | . | . | trans | -66.6 | 137.4 | 171.9 | -171.8 | -83 | 0 | 0 | 0 | 112.5 | L862 P863 D864 A868 L869 | L862-H866 HydrophobicContact CB-CB 4.37Å; L862-H866 HydrophobicContact CD2-CB 4.47Å; P863-H866 VanDerWaalsContact O-CB 3.32Å; P863-H866 WeakPolarHBondContact O-CB 3.36Å; P863-H866 PolarHBondContact O-N 3.31Å; D864-H866 VanDerWaalsContact C-N 3.31Å; D864-H866 PolarHBondContact O-N 2.68Å; H866-A868 VanDerWaalsContact C-N 3.3Å; H866-A868 WeakPolarHBondContact ND1-CB 3.36Å; H866-A868 PolarHBondContact ND1-N 3.33Å; H866-A868 VanDerWaalsContact ND1-N 3.18Å; H866-A868 PolarHBondContact O-N 2.87Å; H866-L869 HydrophobicContact CB-CD1 4.16Å; H866-L869 HydrophobicContact CB-CG 4.18Å; H866-L869 VanDerWaalsContact O-CB 3.28Å; H866-L869 WeakPolarHBondContact O-CB 3.29Å; H866-L869 PolarHBondContact O-N 3.3Å | ||
| 867 | D | 83.9 | Confident | 86.6 | Confident | 148 Ų | 148 | 59.6 Ų | 59.6 | 79% | 0.791 | 30% | 0.297 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.5 | -37.9 | -173.3 | -70.7 | -23 | 0 | 0 | 0 | 113.7 | L869 Y870 | D867-L869 PolarHBondContact O-N 2.88Å; D867-Y870 PolarHBondContact O-N 3.1Å |
| 868 | A | 84.6 | Confident | 86.5 | Confident | 10 Ų | 10 | 57.2 Ų | 57.2 | 8% | 0.083 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -64.5 | -23.6 | 178.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | L840 L862 H866 Y870 D871 F872 | L840-A868 HydrophobicContact CD2-CB 3.91Å; L862-A868 HydrophobicContact CD1-CB 4.35Å; H866-A868 VanDerWaalsContact C-N 3.3Å; H866-A868 WeakPolarHBondContact ND1-CB 3.36Å; H866-A868 PolarHBondContact ND1-N 3.33Å; H866-A868 VanDerWaalsContact ND1-N 3.18Å; H866-A868 PolarHBondContact O-N 2.87Å; A868-Y870 PolarHBondContact O-N 2.72Å; A868-D871 PolarHBondContact O-N 2.88Å; A868-D871 VanDerWaalsContact O-N 3.16Å; A868-F872 HydrophobicContact CB-CE2 3.99Å; A868-F872 HydrophobicContact CB-CZ 4.03Å; A868-F872 WeakPolarHBondContact O-CD2 3.23Å; A868-F872 WeakPolarHBondContact O-CG 3.44Å; A868-F872 PolarHBondContact O-N 2.82Å; A868-F872 VanDerWaalsContact O-N 3.12Å |
| 869 | L | 87.5 | Confident | 86.4 | Confident | 0 Ų | 0 | 59.7 Ų | 59.7 | 0% | 0 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -60.9 | -33.2 | 180 | -69.4 | 173.8 | 0 | 0 | 0 | 111.8 | I859 L862 P863 H866 D867 G873 K891 C892 | I859-L869 HydrophobicContact CB-CD2 4.19Å; I859-L869 HydrophobicContact CG1-CD2 4.08Å; I859-L869 HydrophobicContact CG2-CD2 3.85Å; L862-L869 HydrophobicContact CB-CD2 4.1Å; L862-L869 HydrophobicContact CB-CG 4.47Å; L862-L869 HydrophobicContact CD1-CD2 4.01Å; L862-L869 HydrophobicContact CD1-CG 4.38Å; P863-L869 WeakPolarHBondContact O-CD1 3.44Å; H866-L869 HydrophobicContact CB-CD1 4.16Å; H866-L869 HydrophobicContact CB-CG 4.18Å; H866-L869 VanDerWaalsContact O-CB 3.28Å; H866-L869 WeakPolarHBondContact O-CB 3.29Å; H866-L869 PolarHBondContact O-N 3.3Å; D867-L869 PolarHBondContact O-N 2.88Å; L869-G873 PolarHBondContact O-N 2.88Å; L869-K891 HydrophobicContact CD1-CB 4.31Å; L869-K891 HydrophobicContact CD1-CD 4.2Å; L869-K891 HydrophobicContact CD1-CG 3.99Å; L869-K891 HydrophobicContact CD2-CD 4.43Å; L869-C892 HydrophobicContact CB-CB 4.22Å |
| 870 | Y | 88.3 | Confident | 86.3 | Confident | 81 Ų | 81 | 61.3 Ų | 61.3 | 32% | 0.318 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -66.3 | -43 | 177.4 | -177 | -94.1 | 0 | 0 | 0 | 111.9 | D867 A868 G873 L874 F889 | D867-Y870 PolarHBondContact O-N 3.1Å; A868-Y870 PolarHBondContact O-N 2.72Å; Y870-G873 PolarHBondContact O-N 3.06Å; Y870-L874 PolarHBondContact O-N 3.22Å; Y870-F889 HydrophobicContact CD2-CD1 4.33Å; Y870-F889 AromaticContact CD2-CE1 3.95Å; Y870-F889 HydrophobicContact CD2-CE1 3.95Å; Y870-F889 AromaticContact CE2-CE1 3.99Å; Y870-F889 HydrophobicContact CE2-CE1 3.99Å |
| 871 | D | 86.6 | Confident | 86.2 | Confident | 55 Ų | 55 | 57.9 Ų | 57.9 | 29% | 0.294 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -65.7 | -41.3 | 177.8 | -167.6 | 47 | 0 | 0 | 0 | 110.9 | A868 L874 R875 | A868-D871 PolarHBondContact O-N 2.88Å; A868-D871 VanDerWaalsContact O-N 3.16Å; D871-L874 PolarHBondContact O-N 3.07Å; D871-R875 WeakPolarHBondContact O-CG 3.33Å; D871-R875 PolarHBondContact O-N 3.38Å; D871-R875 IonicContact OD2-CZ 3.55Å; D871-R875 IonicContact OD2-NE 3.96Å; D871-R875 PolarHBondContact OD2-NE 3.45Å; D871-R875 IonicContact OD2-NH2 3.69Å; D871-R875 PolarHBondContact OD2-NH2 3.19Å |
| 872 | F | 89 | Confident | 86.2 | Confident | 1 Ų | 1 | 51.3 Ų | 51.3 | 0% | 0.004 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -64.8 | -41.1 | 175.9 | -55.7 | -27.2 | 0 | 0 | 0 | 112.3 | L840 A843 I855 I858 I859 L862 A868 L874 R875 F876 | L840-F872 HydrophobicContact CD2-CE1 4.4Å; A843-F872 HydrophobicContact CB-CD1 4.22Å; A843-F872 HydrophobicContact CB-CE1 3.3Å; A843-F872 HydrophobicContact CB-CZ 3.65Å; I855-F872 HydrophobicContact CG2-CB 4.31Å; I855-F872 HydrophobicContact CG2-CD1 4.45Å; I855-F872 HydrophobicContact CG2-CG 4.24Å; I858-F872 HydrophobicContact CG2-CE2 3.78Å; I858-F872 HydrophobicContact CG2-CZ 4.23Å; I859-F872 HydrophobicContact CD1-CB 3.83Å; I859-F872 HydrophobicContact CD1-CD2 4.42Å; I859-F872 HydrophobicContact CG1-CB 4.09Å; I859-F872 HydrophobicContact CG1-CD2 3.74Å; I859-F872 HydrophobicContact CG1-CG 4.34Å; L862-F872 HydrophobicContact CD1-CD2 4.27Å; L862-F872 HydrophobicContact CD1-CE2 3.68Å; A868-F872 HydrophobicContact CB-CE2 3.99Å; A868-F872 HydrophobicContact CB-CZ 4.03Å; A868-F872 WeakPolarHBondContact O-CD2 3.23Å; A868-F872 WeakPolarHBondContact O-CG 3.44Å; A868-F872 PolarHBondContact O-N 2.82Å; A868-F872 VanDerWaalsContact O-N 3.12Å; F872-L874 VanDerWaalsContact C-N 3.33Å; F872-L874 PolarHBondContact O-N 3.27Å; F872-R875 PolarHBondContact O-N 3.37Å; F872-F876 VanDerWaalsContact O-CD2 3.31Å; F872-F876 WeakPolarHBondContact O-CD2 3.46Å; F872-F876 PolarHBondContact O-N 2.83Å |
| 873 | G | 87.5 | Confident | 86.2 | Confident | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -60.5 | -40.3 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | L869 Y870 A877 F889 | L869-G873 PolarHBondContact O-N 2.88Å; Y870-G873 PolarHBondContact O-N 3.06Å; G873-A877 WeakPolarHBondContact O-CB 3.41Å; G873-A877 PolarHBondContact O-N 2.9Å; G873-F889 WeakPolarHBondContact O-CE2 3.46Å |
| 874 | L | 88.5 | Confident | 86.4 | Confident | 56 Ų | 56 | 57.3 Ų | 57.3 | 29% | 0.293 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -68.9 | -40.5 | 176.9 | -162.6 | 74.3 | 0 | 0 | 0 | 112.3 | Y870 D871 F872 A877 N878 | Y870-L874 PolarHBondContact O-N 3.22Å; D871-L874 PolarHBondContact O-N 3.07Å; F872-L874 VanDerWaalsContact C-N 3.33Å; F872-L874 PolarHBondContact O-N 3.27Å; L874-A877 WeakPolarHBondContact O-CB 3.06Å; L874-A877 PolarHBondContact O-N 3.07Å; L874-N878 VanDerWaalsContact O-CG 3.26Å; L874-N878 PolarHBondContact O-N 3.45Å; L874-N878 PolarHBondContact O-ND2 3.14Å |
| 875 | R | 87.2 | Confident | 86.7 | Confident | 53 Ų | 53 | 51.7 Ų | 51.7 | 20% | 0.2 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -60.4 | -45.8 | 174 | -72.6 | 176.3 | -167.6 | -121.1 | 5.1 | 111.5 | Y847 D871 F872 A877 N878 L879 | Y847-R875 HydrophobicContact CD2-CB 4.12Å; Y847-R875 HydrophobicContact CD2-CG 4.39Å; Y847-R875 HydrophobicContact CE2-CB 3.85Å; Y847-R875 HydrophobicContact CE2-CG 4.25Å; D871-R875 WeakPolarHBondContact O-CG 3.33Å; D871-R875 PolarHBondContact O-N 3.38Å; D871-R875 IonicContact OD2-CZ 3.55Å; D871-R875 IonicContact OD2-NE 3.96Å; D871-R875 PolarHBondContact OD2-NE 3.45Å; D871-R875 IonicContact OD2-NH2 3.69Å; D871-R875 PolarHBondContact OD2-NH2 3.19Å; F872-R875 PolarHBondContact O-N 3.37Å; R875-A877 VanDerWaalsContact C-N 3.35Å; R875-A877 PolarHBondContact O-N 2.87Å; R875-N878 PolarHBondContact O-N 3Å; R875-L879 WeakPolarHBondContact O-CG 3.41Å; R875-L879 PolarHBondContact O-N 3.1Å; R875-L879 VanDerWaalsContact O-N 3.17Å |
| 876 | F | 89.8 | Confident | 87 | Confident | 2 Ų | 2 | 48.6 Ų | 48.6 | 1% | 0.009 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -64.5 | -37.6 | 174.4 | -76.5 | -49.9 | 0 | 0 | 0 | 112.9 | Y852 I855 I859 F872 L879 G880 M881 Q884 A885 | Y852-F876 HydrophobicContact CD1-CE1 4.22Å; Y852-F876 HydrophobicContact CG-CE1 4.38Å; I855-F876 HydrophobicContact CB-CE2 4.39Å; I855-F876 HydrophobicContact CB-CZ 3.89Å; I855-F876 HydrophobicContact CG2-CE2 3.73Å; I855-F876 HydrophobicContact CG2-CZ 3.73Å; I859-F876 HydrophobicContact CD1-CD2 4.08Å; I859-F876 HydrophobicContact CD1-CE2 3.57Å; F872-F876 VanDerWaalsContact O-CD2 3.31Å; F872-F876 WeakPolarHBondContact O-CD2 3.46Å; F872-F876 PolarHBondContact O-N 2.83Å; F876-L879 PolarHBondContact O-N 3.1Å; F876-G880 PolarHBondContact O-N 2.85Å; F876-M881 HydrophobicContact CB-CB 4.3Å; F876-M881 HydrophobicContact CD1-CB 4.07Å; F876-M881 HydrophobicContact CD1-CG 4.49Å; F876-M881 HydrophobicContact CD1-SD 3.81Å; F876-M881 HydrophobicContact CE1-SD 4Å; F876-M881 PolarHBondContact O-N 2.99Å; F876-Q884 HydrophobicContact CB-CB 4.25Å; F876-Q884 HydrophobicContact CD1-CB 4.05Å; F876-Q884 HydrophobicContact CD2-CB 3.79Å; F876-Q884 HydrophobicContact CE1-CB 4.34Å; F876-Q884 HydrophobicContact CE2-CB 4.07Å; F876-Q884 HydrophobicContact CG-CB 3.78Å; F876-Q884 HydrophobicContact CZ-CB 4.34Å; F876-A885 HydrophobicContact CB-CB 3.86Å |
| 877 | A | 87.1 | Confident | 87.2 | Confident | 6 Ų | 6 | 49.5 Ų | 49.5 | 5% | 0.05 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -63.6 | -39.9 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | G873 L874 R875 L879 G880 A885 F889 V901 | G873-A877 WeakPolarHBondContact O-CB 3.41Å; G873-A877 PolarHBondContact O-N 2.9Å; L874-A877 WeakPolarHBondContact O-CB 3.06Å; L874-A877 PolarHBondContact O-N 3.07Å; R875-A877 VanDerWaalsContact C-N 3.35Å; R875-A877 PolarHBondContact O-N 2.87Å; A877-L879 VanDerWaalsContact C-N 3.31Å; A877-L879 PolarHBondContact O-N 3.43Å; A877-G880 PolarHBondContact O-N 2.83Å; A877-G880 VanDerWaalsContact O-N 3.11Å; A877-A885 HydrophobicContact CB-CB 4.1Å; A877-F889 HydrophobicContact CB-CE2 4.27Å; A877-V901 HydrophobicContact CB-CG1 3.72Å; A877-V901 HydrophobicContact CB-CG2 4.02Å |
| 878 | N | 86.7 | Confident | 87.5 | Confident | 113 Ų | 113 | 42.5 Ų | 42.5 | 60% | 0.604 | 21% | 0.214 | S | C | * | . | H | α-helix | trans | -67.9 | -29.7 | 177.4 | -69.7 | -17.1 | 0 | 0 | 0 | 112.8 | L874 R875 G880 | L874-N878 VanDerWaalsContact O-CG 3.26Å; L874-N878 PolarHBondContact O-N 3.45Å; L874-N878 PolarHBondContact O-ND2 3.14Å; R875-N878 PolarHBondContact O-N 3Å; N878-G880 VanDerWaalsContact C-N 3.28Å |
| 879 | L | 86.2 | Confident | 87.7 | Confident | 63 Ų | 63 | 42.1 Ų | 42.1 | 33% | 0.33 | 21% | 0.21 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -79.7 | -5.6 | 172.7 | -69.2 | 169.7 | 0 | 0 | 0 | 113.5 | Y847 Y852 R875 F876 A877 M881 | Y847-L879 HydrophobicContact CD2-CD1 4.21Å; Y847-L879 HydrophobicContact CE2-CD1 3.49Å; Y847-L879 VanDerWaalsContact CE2-CD1 3.49Å; Y847-L879 HydrophobicContact CE2-CD2 4.35Å; Y847-L879 HydrophobicContact CE2-CG 3.94Å; Y852-L879 HydrophobicContact CD1-CD1 3.9Å; Y852-L879 HydrophobicContact CE1-CD1 3.32Å; R875-L879 WeakPolarHBondContact O-CG 3.41Å; R875-L879 PolarHBondContact O-N 3.1Å; R875-L879 VanDerWaalsContact O-N 3.17Å; F876-L879 PolarHBondContact O-N 3.1Å; A877-L879 VanDerWaalsContact C-N 3.31Å; A877-L879 PolarHBondContact O-N 3.43Å; L879-M881 VanDerWaalsContact C-N 3.27Å; L879-M881 HydrophobicContact CB-CG 4.12Å; L879-M881 HydrophobicContact CD1-SD 4.45Å; L879-M881 PolarHBondContact O-N 2.98Å |
| 880 | G | 83.3 | Confident | 87.7 | Confident | 38 Ų | 38 | 45.4 Ų | 45.4 | 39% | 0.392 | 23% | 0.227 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 74.7 | 12.5 | -174.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | F876 A877 N878 I882 | F876-G880 PolarHBondContact O-N 2.85Å; A877-G880 PolarHBondContact O-N 2.83Å; A877-G880 VanDerWaalsContact O-N 3.11Å; N878-G880 VanDerWaalsContact C-N 3.28Å; G880-I882 VanDerWaalsContact C-N 3.35Å; G880-I882 PolarHBondContact O-N 2.92Å |
| 881 | M | 86.2 | Confident | 87.6 | Confident | 52 Ų | 52 | 43.1 Ų | 43.1 | 26% | 0.256 | 22% | 0.219 | S | C | . | . | trans | -82.6 | 76.4 | 179.1 | -65.2 | -172 | 84.8 | 0 | 0 | 111 | Y852 F876 L879 K883 Q884 A885 | Y852-M881 HydrophobicContact CD2-CE 4.47Å; Y852-M881 HydrophobicContact CD2-SD 4.06Å; Y852-M881 HydrophobicContact CG-SD 4.05Å; F876-M881 HydrophobicContact CB-CB 4.3Å; F876-M881 HydrophobicContact CD1-CB 4.07Å; F876-M881 HydrophobicContact CD1-CG 4.49Å; F876-M881 HydrophobicContact CD1-SD 3.81Å; F876-M881 HydrophobicContact CE1-SD 4Å; F876-M881 PolarHBondContact O-N 2.99Å; L879-M881 VanDerWaalsContact C-N 3.27Å; L879-M881 HydrophobicContact CB-CG 4.12Å; L879-M881 HydrophobicContact CD1-SD 4.45Å; L879-M881 PolarHBondContact O-N 2.98Å; M881-K883 PolarHBondContact O-N 2.77Å; M881-Q884 HydrophobicContact CB-CB 4.49Å; M881-Q884 HydrophobicContact CE-CG 4.5Å; M881-Q884 PolarHBondContact O-N 3.23Å; M881-A885 VanDerWaalsContact O-CB 3.32Å; M881-A885 WeakPolarHBondContact O-CB 3.31Å; M881-A885 PolarHBondContact O-N 2.96Å | ||
| 882 | I | 85.2 | Confident | 87.6 | Confident | 28 Ų | 28 | 41.3 Ų | 41.3 | 14% | 0.144 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -62.6 | -41.9 | -168.3 | -63.5 | 168.9 | 0 | 0 | 0 | 112.7 | G880 Q884 A885 V886 L905 E907 | G880-I882 VanDerWaalsContact C-N 3.35Å; G880-I882 PolarHBondContact O-N 2.92Å; I882-Q884 PolarHBondContact O-N 2.84Å; I882-A885 PolarHBondContact O-N 3.08Å; I882-V886 HydrophobicContact CG2-CG2 3.9Å; I882-V886 VanDerWaalsContact O-CB 3.25Å; I882-V886 WeakPolarHBondContact O-CB 3.48Å; I882-V886 WeakPolarHBondContact O-CG2 3.47Å; I882-V886 PolarHBondContact O-N 2.77Å; I882-L905 HydrophobicContact CD1-CB 3.81Å; I882-L905 HydrophobicContact CD1-CD1 3.94Å; I882-L905 HydrophobicContact CG1-CB 4.3Å; I882-L905 HydrophobicContact CG1-CD1 3.46Å; I882-L905 VanDerWaalsContact CG1-CD1 3.46Å; I882-E907 HydrophobicContact CD1-CB 4.05Å; I882-E907 HydrophobicContact CD1-CG 3.29Å |
| 883 | K | 87.3 | Confident | 87.4 | Confident | 178 Ų | 178 | 46.9 Ų | 46.9 | 77% | 0.774 | 24% | 0.241 | S | C | * | . | H | α-helix | trans | -61.9 | -45.3 | -177.2 | -67.4 | -178.3 | -180 | 177.9 | 0 | 111.6 | M881 H887 | M881-K883 PolarHBondContact O-N 2.77Å; K883-H887 WeakPolarHBondContact O-CB 3.33Å; K883-H887 PolarHBondContact O-N 3.35Å |
| 884 | Q | 89.2 | Confident | 87.2 | Confident | 50 Ų | 50 | 51.7 Ų | 51.7 | 23% | 0.234 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -70.7 | -42.5 | 178.9 | -65 | 80.3 | -3.6 | 0 | 0 | 111.2 | F876 M881 I882 H887 A888 | F876-Q884 HydrophobicContact CB-CB 4.25Å; F876-Q884 HydrophobicContact CD1-CB 4.05Å; F876-Q884 HydrophobicContact CD2-CB 3.79Å; F876-Q884 HydrophobicContact CE1-CB 4.34Å; F876-Q884 HydrophobicContact CE2-CB 4.07Å; F876-Q884 HydrophobicContact CG-CB 3.78Å; F876-Q884 HydrophobicContact CZ-CB 4.34Å; M881-Q884 HydrophobicContact CB-CB 4.49Å; M881-Q884 HydrophobicContact CE-CG 4.5Å; M881-Q884 PolarHBondContact O-N 3.23Å; I882-Q884 PolarHBondContact O-N 2.84Å; Q884-H887 PolarHBondContact O-N 3.26Å; Q884-A888 WeakPolarHBondContact O-CB 3.48Å; Q884-A888 PolarHBondContact O-N 3.27Å |
| 885 | A | 89.8 | Confident | 87 | Confident | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -60.4 | -49.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | F876 A877 M881 I882 H887 A888 F889 | F876-A885 HydrophobicContact CB-CB 3.86Å; A877-A885 HydrophobicContact CB-CB 4.1Å; M881-A885 VanDerWaalsContact O-CB 3.32Å; M881-A885 WeakPolarHBondContact O-CB 3.31Å; M881-A885 PolarHBondContact O-N 2.96Å; I882-A885 PolarHBondContact O-N 3.08Å; A885-H887 VanDerWaalsContact C-N 3.34Å; A885-H887 PolarHBondContact O-N 3.48Å; A885-A888 PolarHBondContact O-N 2.91Å; A885-F889 HydrophobicContact CB-CD2 4.42Å; A885-F889 HydrophobicContact CB-CE2 4.22Å; A885-F889 WeakPolarHBondContact O-CD2 3.35Å; A885-F889 WeakPolarHBondContact O-CG 3.45Å; A885-F889 PolarHBondContact O-N 2.87Å |
| 886 | V | 87.9 | Confident | 86.8 | Confident | 14 Ų | 14 | 57.8 Ų | 57.8 | 9% | 0.085 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -62.2 | -40.9 | 177.4 | 170.6 | 0 | 0 | 0 | 0 | 110.8 | I882 F889 I890 A898 L914 | I882-V886 HydrophobicContact CG2-CG2 3.9Å; I882-V886 VanDerWaalsContact O-CB 3.25Å; I882-V886 WeakPolarHBondContact O-CB 3.48Å; I882-V886 WeakPolarHBondContact O-CG2 3.47Å; I882-V886 PolarHBondContact O-N 2.77Å; V886-F889 PolarHBondContact O-N 2.96Å; V886-I890 HydrophobicContact CG1-CD1 3.52Å; V886-I890 HydrophobicContact CG1-CG1 4.18Å; V886-I890 WeakPolarHBondContact O-CB 3.47Å; V886-I890 WeakPolarHBondContact O-CG1 3.46Å; V886-I890 PolarHBondContact O-N 2.6Å; V886-A898 HydrophobicContact CG1-CB 4.36Å; V886-A898 HydrophobicContact CG2-CB 4.35Å; V886-L914 HydrophobicContact CG1-CD1 4.05Å; V886-L914 HydrophobicContact CG1-CD2 4.12Å; V886-L914 HydrophobicContact CG2-CD1 4.26Å |
| 887 | H | 89.3 | Confident | 86.6 | Confident | 92 Ų | 92 | 60.2 Ų | 60.2 | 43% | 0.426 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -61 | -47.3 | 175.2 | -174.6 | 63.3 | 0 | 0 | 0 | 112.1 | K883 Q884 A885 F889 I890 K891 | K883-H887 WeakPolarHBondContact O-CB 3.33Å; K883-H887 PolarHBondContact O-N 3.35Å; Q884-H887 PolarHBondContact O-N 3.26Å; A885-H887 VanDerWaalsContact C-N 3.34Å; A885-H887 PolarHBondContact O-N 3.48Å; H887-F889 PolarHBondContact O-N 3.5Å; H887-I890 PolarHBondContact O-N 2.84Å; H887-K891 WeakPolarHBondContact O-CB 3.43Å; H887-K891 PolarHBondContact O-N 3.31Å |
| 888 | A | 89.4 | Confident | 86.5 | Confident | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -61.3 | -44.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | I859 Q884 A885 K891 C892 | I859-A888 HydrophobicContact CD1-CB 4.04Å; Q884-A888 WeakPolarHBondContact O-CB 3.48Å; Q884-A888 PolarHBondContact O-N 3.27Å; A885-A888 PolarHBondContact O-N 2.91Å; A888-K891 PolarHBondContact O-N 3.05Å; A888-C892 WeakPolarHBondContact O-CB 3.45Å; A888-C892 PolarHBondContact O-N 3.03Å |
| 889 | F | 89.6 | Confident | 86.4 | Confident | 2 Ų | 2 | 54.9 Ų | 54.9 | 1% | 0.009 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -68.6 | -37 | 177.7 | -71.6 | -53.5 | 0 | 0 | 0 | 112.8 | Y870 G873 A877 A885 V886 H887 C892 N893 R894 E897 A898 V901 | Y870-F889 HydrophobicContact CD2-CD1 4.33Å; Y870-F889 AromaticContact CD2-CE1 3.95Å; Y870-F889 HydrophobicContact CD2-CE1 3.95Å; Y870-F889 AromaticContact CE2-CE1 3.99Å; Y870-F889 HydrophobicContact CE2-CE1 3.99Å; G873-F889 WeakPolarHBondContact O-CE2 3.46Å; A877-F889 HydrophobicContact CB-CE2 4.27Å; A885-F889 HydrophobicContact CB-CD2 4.42Å; A885-F889 HydrophobicContact CB-CE2 4.22Å; A885-F889 WeakPolarHBondContact O-CD2 3.35Å; A885-F889 WeakPolarHBondContact O-CG 3.45Å; A885-F889 PolarHBondContact O-N 2.87Å; V886-F889 PolarHBondContact O-N 2.96Å; H887-F889 PolarHBondContact O-N 3.5Å; F889-C892 CarbonylContact O-C 3.54Å; F889-C892 PolarHBondContact O-N 3.08Å; F889-N893 PolarHBondContact O-N 3Å; F889-R894 HydrophobicContact CD1-CB 4.48Å; F889-R894 PolarHBondContact O-N 3.28Å; F889-E897 HydrophobicContact CD1-CB 4.31Å; F889-A898 HydrophobicContact CB-CB 3.92Å; F889-V901 HydrophobicContact CE2-CG2 3.82Å; F889-V901 HydrophobicContact CZ-CG2 4.41Å |
| 890 | I | 86.8 | Confident | 86.4 | Confident | 69 Ų | 69 | 54.3 Ų | 54.3 | 35% | 0.354 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -64.8 | -42.7 | 173.4 | -70.6 | 170.2 | 0 | 0 | 0 | 110.2 | V886 H887 C892 N893 L914 | V886-I890 HydrophobicContact CG1-CD1 3.52Å; V886-I890 HydrophobicContact CG1-CG1 4.18Å; V886-I890 WeakPolarHBondContact O-CB 3.47Å; V886-I890 WeakPolarHBondContact O-CG1 3.46Å; V886-I890 PolarHBondContact O-N 2.6Å; H887-I890 PolarHBondContact O-N 2.84Å; I890-C892 VanDerWaalsContact C-N 3.25Å; I890-C892 PolarHBondContact O-N 3Å; I890-N893 WeakPolarHBondContact O-CA 3.35Å; I890-N893 PolarHBondContact O-N 2.87Å; I890-L914 HydrophobicContact CD1-CD2 4.25Å |
| 891 | K | 87.7 | Confident | 86.5 | Confident | 33 Ų | 33 | 52.7 Ų | 52.7 | 14% | 0.143 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -66.3 | -26.8 | 176.8 | -159.8 | 176.3 | -179.8 | -178.8 | 0 | 112.9 | I859 E860 L862 D864 C865 L869 H887 A888 N893 | I859-K891 HydrophobicContact CG2-CD 4.26Å; I859-K891 PolarHBondContact O-NZ 2.78Å; E860-K891 PolarHBondContact O-NZ 2.82Å; L862-K891 VanDerWaalsContact O-CE 3.29Å; L862-K891 WeakPolarHBondContact O-CE 3.03Å; L862-K891 PolarHBondContact O-NZ 3Å; D864-K891 WeakPolarHBondContact OD1-CE 3.32Å; D864-K891 VanDerWaalsContact OD1-CG 3.32Å; D864-K891 WeakPolarHBondContact OD1-CG 3.47Å; C865-K891 PolarHBondContact N-O 2.84Å; C865-K891 VanDerWaalsContact N-O 3.09Å; L869-K891 HydrophobicContact CD1-CB 4.31Å; L869-K891 HydrophobicContact CD1-CD 4.2Å; L869-K891 HydrophobicContact CD1-CG 3.99Å; L869-K891 HydrophobicContact CD2-CD 4.43Å; H887-K891 WeakPolarHBondContact O-CB 3.43Å; H887-K891 PolarHBondContact O-N 3.31Å; A888-K891 PolarHBondContact O-N 3.05Å; K891-N893 VanDerWaalsContact C-N 3.28Å |
| 892 | C | 86.6 | Confident | 86.4 | Confident | 17 Ų | 17 | 50.2 Ų | 50.2 | 12% | 0.115 | 23% | 0.231 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84.2 | 4.5 | 171.2 | -162.7 | 0 | 0 | 0 | 0 | 113.4 | L869 A888 F889 I890 R894 | L869-C892 HydrophobicContact CB-CB 4.22Å; A888-C892 WeakPolarHBondContact O-CB 3.45Å; A888-C892 PolarHBondContact O-N 3.03Å; F889-C892 CarbonylContact O-C 3.54Å; F889-C892 PolarHBondContact O-N 3.08Å; I890-C892 VanDerWaalsContact C-N 3.25Å; I890-C892 PolarHBondContact O-N 3Å; C892-R894 VanDerWaalsContact C-N 3.27Å; C892-R894 HydrophobicContact CB-CG 4.19Å; C892-R894 VanDerWaalsContact O-CG 3.28Å; C892-R894 WeakPolarHBondContact O-CG 3.24Å; C892-R894 PolarHBondContact O-N 3.41Å |
| 893 | N | 84.5 | Confident | 86.2 | Confident | 119 Ų | 119 | 49.8 Ų | 49.8 | 64% | 0.636 | 23% | 0.229 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 55.5 | 34.9 | -175.2 | -160 | 23.1 | 0 | 0 | 0 | 114.5 | F889 I890 K891 | F889-N893 PolarHBondContact O-N 3Å; I890-N893 WeakPolarHBondContact O-CA 3.35Å; I890-N893 PolarHBondContact O-N 2.87Å; K891-N893 VanDerWaalsContact C-N 3.28Å |
| 894 | R | 83.6 | Confident | 86 | Confident | 101 Ų | 101 | 49 Ų | 49 | 38% | 0.381 | 22% | 0.221 | S | C | . | . | trans | -116.3 | 58.7 | -174.4 | -67.8 | -119.6 | -165.8 | 167.7 | 3.6 | 111.4 | F889 C892 K896 E897 A898 | F889-R894 HydrophobicContact CD1-CB 4.48Å; F889-R894 PolarHBondContact O-N 3.28Å; C892-R894 VanDerWaalsContact C-N 3.27Å; C892-R894 HydrophobicContact CB-CG 4.19Å; C892-R894 VanDerWaalsContact O-CG 3.28Å; C892-R894 WeakPolarHBondContact O-CG 3.24Å; C892-R894 PolarHBondContact O-N 3.41Å; R894-K896 VanDerWaalsContact C-N 3.32Å; R894-K896 PolarHBondContact O-N 2.78Å; R894-E897 HydrophobicContact CB-CB 4.44Å; R894-E897 VanDerWaalsContact CB-OE2 3.32Å; R894-E897 WeakPolarHBondContact CB-OE2 3.36Å; R894-E897 VanDerWaalsContact CD-CD 3.41Å; R894-E897 WeakPolarHBondContact CD-OE1 3.37Å; R894-E897 IonicContact CZ-OE1 2.69Å; R894-E897 IonicContact NE-OE1 3.34Å; R894-E897 IonicContact NH1-OE1 2.8Å; R894-E897 PolarHBondContact NH1-OE1 3.31Å; R894-E897 PolarHBondContact O-N 3.36Å; R894-A898 PolarHBondContact O-N 2.97Å | ||
| 895 | R | 83.2 | Confident | 85.6 | Confident | 97 Ų | 97 | 49.6 Ų | 49.6 | 37% | 0.366 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -65.9 | -30.3 | -174.8 | -66.2 | -176.1 | -174.5 | 164.5 | 2.9 | 113.6 | A898 I899 | R895-A898 WeakPolarHBondContact O-CB 3.08Å; R895-A898 PolarHBondContact O-N 3.34Å; R895-I899 WeakPolarHBondContact O-CG1 3.48Å; R895-I899 PolarHBondContact O-N 3.06Å |
| 896 | K | 84.1 | Confident | 84.9 | Confident | 139 Ų | 139 | 53.3 Ų | 53.3 | 60% | 0.604 | 25% | 0.246 | S | C | * | . | H | α-helix | trans | -64 | -44.9 | 176.9 | -71.6 | -178.4 | -179.4 | 175 | 0 | 110.7 | R894 A898 I899 D900 | R894-K896 VanDerWaalsContact C-N 3.32Å; R894-K896 PolarHBondContact O-N 2.78Å; K896-A898 VanDerWaalsContact C-N 3.31Å; K896-A898 PolarHBondContact O-N 2.85Å; K896-I899 PolarHBondContact O-N 3.31Å; K896-D900 PolarHBondContact O-N 3.21Å |
| 897 | E | 84.8 | Confident | 84.5 | Confident | 54 Ų | 54 | 56.2 Ų | 56.2 | 25% | 0.252 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -63 | -37.4 | 173.9 | -66.6 | 93.3 | 148.6 | 0 | 0 | 112.1 | F889 R894 I899 D900 V901 | F889-E897 HydrophobicContact CD1-CB 4.31Å; R894-E897 HydrophobicContact CB-CB 4.44Å; R894-E897 VanDerWaalsContact CB-OE2 3.32Å; R894-E897 WeakPolarHBondContact CB-OE2 3.36Å; R894-E897 VanDerWaalsContact CD-CD 3.41Å; R894-E897 WeakPolarHBondContact CD-OE1 3.37Å; R894-E897 IonicContact CZ-OE1 2.69Å; R894-E897 IonicContact NE-OE1 3.34Å; R894-E897 IonicContact NH1-OE1 2.8Å; R894-E897 PolarHBondContact NH1-OE1 3.31Å; R894-E897 PolarHBondContact O-N 3.36Å; E897-I899 PolarHBondContact O-N 3.36Å; E897-D900 PolarHBondContact O-N 2.95Å; E897-V901 WeakPolarHBondContact O-CB 3.29Å; E897-V901 VanDerWaalsContact O-CG2 3.29Å; E897-V901 WeakPolarHBondContact O-CG2 3.39Å; E897-V901 PolarHBondContact O-N 2.78Å |
| 898 | A | 86.1 | Confident | 83.9 | Confident | 1 Ų | 1 | 52.4 Ų | 52.4 | 1% | 0.008 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -60.3 | -43.7 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | V886 F889 R894 R895 K896 C902 | V886-A898 HydrophobicContact CG1-CB 4.36Å; V886-A898 HydrophobicContact CG2-CB 4.35Å; F889-A898 HydrophobicContact CB-CB 3.92Å; R894-A898 PolarHBondContact O-N 2.97Å; R895-A898 WeakPolarHBondContact O-CB 3.08Å; R895-A898 PolarHBondContact O-N 3.34Å; K896-A898 VanDerWaalsContact C-N 3.31Å; K896-A898 PolarHBondContact O-N 2.85Å; A898-C902 PolarHBondContact O-N 3.17Å; A898-C902 VanDerWaalsContact O-N 3.08Å; A898-C902 PolarHBondContact O-SG 3.48Å |
| 899 | I | 83.6 | Confident | 83.3 | Confident | 5 Ų | 5 | 60.5 Ų | 60.5 | 3% | 0.026 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -65.6 | -45.9 | 175.2 | -66.3 | 168.8 | 0 | 0 | 0 | 110.5 | R895 K896 E897 V901 C902 L903 A911 L914 I918 | R895-I899 WeakPolarHBondContact O-CG1 3.48Å; R895-I899 PolarHBondContact O-N 3.06Å; K896-I899 PolarHBondContact O-N 3.31Å; E897-I899 PolarHBondContact O-N 3.36Å; I899-V901 VanDerWaalsContact C-N 3.3Å; I899-V901 PolarHBondContact O-N 2.61Å; I899-C902 WeakPolarHBondContact O-CB 3.34Å; I899-C902 PolarHBondContact O-N 3.37Å; I899-C902 VanDerWaalsContact O-N 3.14Å; I899-L903 HydrophobicContact CG2-CD1 3.96Å; I899-L903 HydrophobicContact CG2-CG 4.29Å; I899-L903 WeakPolarHBondContact O-CG 3.49Å; I899-L903 PolarHBondContact O-N 2.66Å; I899-A911 HydrophobicContact CG2-CB 4.42Å; I899-L914 HydrophobicContact CG1-CB 3.92Å; I899-L914 HydrophobicContact CG1-CD1 4.43Å; I899-I918 HydrophobicContact CD1-CD1 3.98Å |
| 900 | D | 85.3 | Confident | 82.9 | Confident | 52 Ų | 52 | 62.6 Ų | 62.6 | 28% | 0.278 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -63.6 | -34.5 | 179.9 | -72.2 | -24.9 | 0 | 0 | 0 | 111.9 | K896 E897 L903 R904 R934 | K896-D900 PolarHBondContact O-N 3.21Å; E897-D900 PolarHBondContact O-N 2.95Å; D900-L903 PolarHBondContact O-N 2.96Å; D900-R904 VanDerWaalsContact O-CB 3.26Å; D900-R904 WeakPolarHBondContact O-CB 3.46Å; D900-R904 PolarHBondContact O-N 3.39Å; D900-R934 IonicContact OD1-CZ 3.19Å; D900-R934 IonicContact OD1-NH1 2.71Å; D900-R934 IonicContact OD1-NH2 3.54Å; D900-R934 PolarHBondContact OD1-NH2 3.18Å |
| 901 | V | 85.4 | Confident | 82.6 | Confident | 4 Ų | 4 | 59.3 Ų | 59.3 | 2% | 0.024 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -67.2 | -42.7 | 172.5 | 167.8 | 0 | 0 | 0 | 0 | 111 | A877 F889 E897 I899 L903 R904 L905 | A877-V901 HydrophobicContact CB-CG1 3.72Å; A877-V901 HydrophobicContact CB-CG2 4.02Å; F889-V901 HydrophobicContact CE2-CG2 3.82Å; F889-V901 HydrophobicContact CZ-CG2 4.41Å; E897-V901 WeakPolarHBondContact O-CB 3.29Å; E897-V901 VanDerWaalsContact O-CG2 3.29Å; E897-V901 WeakPolarHBondContact O-CG2 3.39Å; E897-V901 PolarHBondContact O-N 2.78Å; I899-V901 VanDerWaalsContact C-N 3.3Å; I899-V901 PolarHBondContact O-N 2.61Å; V901-L903 VanDerWaalsContact C-N 3.33Å; V901-L903 PolarHBondContact O-N 3.16Å; V901-R904 PolarHBondContact O-N 3.01Å; V901-L905 HydrophobicContact CG1-CD1 3.71Å; V901-L905 HydrophobicContact CG1-CG 4.47Å; V901-L905 WeakPolarHBondContact O-CB 3.37Å; V901-L905 WeakPolarHBondContact O-CG 3.18Å; V901-L905 PolarHBondContact O-N 3.36Å |
| 902 | C | 84.2 | Confident | 82.1 | Confident | 0 Ų | 0 | 59.7 Ų | 59.7 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -61.2 | -42 | 174.6 | -65.5 | 0 | 0 | 0 | 0 | 111.7 | A898 I899 L905 N906 E907 A911 | A898-C902 PolarHBondContact O-N 3.17Å; A898-C902 VanDerWaalsContact O-N 3.08Å; A898-C902 PolarHBondContact O-SG 3.48Å; I899-C902 WeakPolarHBondContact O-CB 3.34Å; I899-C902 PolarHBondContact O-N 3.37Å; I899-C902 VanDerWaalsContact O-N 3.14Å; C902-L905 CarbonylContact O-C 3.56Å; C902-L905 PolarHBondContact O-N 3.17Å; C902-N906 PolarHBondContact O-N 2.87Å; C902-E907 PolarHBondContact O-N 2.83Å; C902-A911 HydrophobicContact CB-CB 3.95Å |
| 903 | L | 82.9 | Confident | 81.8 | Confident | 18 Ų | 18 | 64 Ų | 64 | 9% | 0.094 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -65 | -42 | 175.5 | -68.2 | 172.5 | 0 | 0 | 0 | 111.8 | I899 D900 V901 L905 N906 W908 A911 I935 L938 | I899-L903 HydrophobicContact CG2-CD1 3.96Å; I899-L903 HydrophobicContact CG2-CG 4.29Å; I899-L903 WeakPolarHBondContact O-CG 3.49Å; I899-L903 PolarHBondContact O-N 2.66Å; D900-L903 PolarHBondContact O-N 2.96Å; V901-L903 VanDerWaalsContact C-N 3.33Å; V901-L903 PolarHBondContact O-N 3.16Å; L903-L905 VanDerWaalsContact C-N 3.3Å; L903-L905 PolarHBondContact O-N 2.89Å; L903-N906 PolarHBondContact O-N 3.42Å; L903-W908 HydrophobicContact CD2-CD2 4.25Å; L903-W908 HydrophobicContact CD2-CE3 3.58Å; L903-W908 HydrophobicContact CD2-CH2 4.18Å; L903-W908 HydrophobicContact CD2-CZ3 3.54Å; L903-A911 HydrophobicContact CD2-CB 3.81Å; L903-A911 HydrophobicContact CG-CB 4.09Å; L903-I935 HydrophobicContact CD1-CG1 4.48Å; L903-I935 HydrophobicContact CD2-CG1 4.25Å; L903-I935 HydrophobicContact CD2-CG2 4.17Å; L903-L938 HydrophobicContact CD1-CD1 4.25Å |
| 904 | R | 82.2 | Confident | 81.6 | Confident | 162 Ų | 162 | 59.6 Ų | 59.6 | 61% | 0.611 | 26% | 0.262 | S | S | * | . | H | α-helix | trans | -66.6 | -33 | 179.1 | -159.6 | -172.5 | -50.9 | 155.9 | 6.1 | 112.5 | D900 V901 N906 | D900-R904 VanDerWaalsContact O-CB 3.26Å; D900-R904 WeakPolarHBondContact O-CB 3.46Å; D900-R904 PolarHBondContact O-N 3.39Å; V901-R904 PolarHBondContact O-N 3.01Å; R904-N906 VanDerWaalsContact C-N 3.31Å |
| 905 | L | 81 | Confident | 81.2 | Confident | 62 Ų | 62 | 54.8 Ų | 54.8 | 33% | 0.325 | 24% | 0.244 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -92.2 | 13.7 | 176.9 | -63.2 | 171.1 | 0 | 0 | 0 | 112.8 | I882 V901 C902 L903 E907 | I882-L905 HydrophobicContact CD1-CB 3.81Å; I882-L905 HydrophobicContact CD1-CD1 3.94Å; I882-L905 HydrophobicContact CG1-CB 4.3Å; I882-L905 HydrophobicContact CG1-CD1 3.46Å; I882-L905 VanDerWaalsContact CG1-CD1 3.46Å; V901-L905 HydrophobicContact CG1-CD1 3.71Å; V901-L905 HydrophobicContact CG1-CG 4.47Å; V901-L905 WeakPolarHBondContact O-CB 3.37Å; V901-L905 WeakPolarHBondContact O-CG 3.18Å; V901-L905 PolarHBondContact O-N 3.36Å; C902-L905 CarbonylContact O-C 3.56Å; C902-L905 PolarHBondContact O-N 3.17Å; L903-L905 VanDerWaalsContact C-N 3.3Å; L903-L905 PolarHBondContact O-N 2.89Å; L905-E907 PolarHBondContact O-N 2.87Å; L905-E907 VanDerWaalsContact O-N 3.16Å |
| 906 | N | 75.6 | Confident | 80.8 | Confident | 79 Ų | 79 | 56.2 Ų | 56.2 | 42% | 0.422 | 25% | 0.253 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 57.3 | 22.4 | 177.7 | -76.2 | -31.6 | 0 | 0 | 0 | 115.8 | C902 L903 R904 W908 | C902-N906 PolarHBondContact O-N 2.87Å; L903-N906 PolarHBondContact O-N 3.42Å; R904-N906 VanDerWaalsContact C-N 3.31Å; N906-W908 VanDerWaalsContact C-N 3.27Å; N906-W908 PolarHBondContact O-N 3.1Å; N906-W908 VanDerWaalsContact O-N 3.12Å; N906-W908 PolarHBondContact OD1-NE1 3.31Å |
| 907 | E | 78.3 | Confident | 80.1 | Confident | 74 Ų | 74 | 52.5 Ų | 52.5 | 35% | 0.346 | 24% | 0.244 | S | C | . | . | trans | -89.1 | 65 | 172.2 | -74.2 | -60.4 | 164 | 0 | 0 | 110.9 | I882 C902 L905 R909 V910 A911 | I882-E907 HydrophobicContact CD1-CB 4.05Å; I882-E907 HydrophobicContact CD1-CG 3.29Å; C902-E907 PolarHBondContact O-N 2.83Å; L905-E907 PolarHBondContact O-N 2.87Å; L905-E907 VanDerWaalsContact O-N 3.16Å; E907-R909 PolarHBondContact O-N 2.76Å; E907-V910 HydrophobicContact CB-CB 4.31Å; E907-V910 HydrophobicContact CB-CG2 4.25Å; E907-V910 PolarHBondContact O-N 2.76Å; E907-V910 VanDerWaalsContact O-N 3.16Å; E907-A911 PolarHBondContact O-N 3.49Å | ||
| 908 | W | 77.1 | Confident | 79.2 | Confident | 12 Ų | 12 | 51.6 Ų | 51.6 | 5% | 0.045 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -57.1 | -32.8 | -177.6 | -63.9 | 89.7 | 0 | 0 | 0 | 112.8 | L903 N906 A911 Y912 I935 L938 L939 L958 A962 | L903-W908 HydrophobicContact CD2-CD2 4.25Å; L903-W908 HydrophobicContact CD2-CE3 3.58Å; L903-W908 HydrophobicContact CD2-CH2 4.18Å; L903-W908 HydrophobicContact CD2-CZ3 3.54Å; N906-W908 VanDerWaalsContact C-N 3.27Å; N906-W908 PolarHBondContact O-N 3.1Å; N906-W908 VanDerWaalsContact O-N 3.12Å; N906-W908 PolarHBondContact OD1-NE1 3.31Å; W908-A911 PolarHBondContact O-N 3.35Å; W908-Y912 WeakPolarHBondContact O-CB 3.44Å; W908-Y912 WeakPolarHBondContact O-CD2 3.45Å; W908-Y912 PolarHBondContact O-N 3.46Å; W908-I935 HydrophobicContact CE3-CG2 3.71Å; W908-I935 HydrophobicContact CZ3-CG2 3.95Å; W908-I935 WeakPolarHBondContact CZ3-O 3.23Å; W908-L938 HydrophobicContact CH2-CB 3.97Å; W908-L938 HydrophobicContact CZ3-CB 4.12Å; W908-L939 HydrophobicContact CD2-CD1 3.73Å; W908-L939 HydrophobicContact CE3-CB 4.22Å; W908-L939 HydrophobicContact CE3-CD1 3.89Å; W908-L939 HydrophobicContact CG-CD1 4.18Å; W908-L939 HydrophobicContact CH2-CB 4.25Å; W908-L939 HydrophobicContact CH2-CD1 4.35Å; W908-L939 HydrophobicContact CZ2-CD1 4.2Å; W908-L939 HydrophobicContact CZ3-CB 3.89Å; W908-L939 HydrophobicContact CZ3-CD1 4.19Å; W908-L958 HydrophobicContact CZ2-CD1 4.37Å; W908-A962 HydrophobicContact CB-CB 4.19Å; W908-A962 HydrophobicContact CG-CB 4.49Å |
| 909 | R | 76.9 | Confident | 77.6 | Confident | 171 Ų | 171 | 55.2 Ų | 55.2 | 65% | 0.645 | 26% | 0.26 | S | S | * | . | H | α-helix | trans | -65.8 | -47.5 | 176.9 | -176.8 | 179.2 | 173.2 | 159.3 | 0.1 | 112.3 | E907 A911 Y912 E913 | E907-R909 PolarHBondContact O-N 2.76Å; R909-A911 VanDerWaalsContact C-N 3.29Å; R909-A911 PolarHBondContact O-N 2.97Å; R909-Y912 WeakPolarHBondContact O-CB 3.39Å; R909-Y912 PolarHBondContact O-N 2.85Å; R909-Y912 VanDerWaalsContact O-N 3.17Å; R909-E913 IonicContact CZ-OE1 2.67Å; R909-E913 IonicContact NE-OE1 3.43Å; R909-E913 PolarHBondContact NE-OE1 3.47Å; R909-E913 VanDerWaalsContact NE-OE1 3.09Å; R909-E913 IonicContact NH2-OE1 3.23Å; R909-E913 WeakPolarHBondContact O-CG 3.47Å; R909-E913 PolarHBondContact O-N 3.28Å |
| 910 | V | 80.6 | Confident | 76.1 | Confident | 45 Ų | 45 | 60.1 Ų | 60.1 | 27% | 0.273 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -66.2 | -37.2 | 177.3 | -176.6 | 0 | 0 | 0 | 0 | 109.9 | E907 Y912 E913 L914 | E907-V910 HydrophobicContact CB-CB 4.31Å; E907-V910 HydrophobicContact CB-CG2 4.25Å; E907-V910 PolarHBondContact O-N 2.76Å; E907-V910 VanDerWaalsContact O-N 3.16Å; V910-Y912 VanDerWaalsContact C-N 3.33Å; V910-Y912 PolarHBondContact O-N 3.12Å; V910-E913 PolarHBondContact O-N 3.21Å; V910-L914 HydrophobicContact CG1-CD1 3.95Å; V910-L914 HydrophobicContact CG1-CG 4.2Å; V910-L914 VanDerWaalsContact O-CB 3.27Å; V910-L914 WeakPolarHBondContact O-CB 3.43Å; V910-L914 VanDerWaalsContact O-CG 3.31Å; V910-L914 WeakPolarHBondContact O-CG 3.43Å; V910-L914 PolarHBondContact O-N 3.04Å |
| 911 | A | 81.1 | Confident | 74.6 | Confident | 0 Ų | 0 | 65.1 Ų | 65.1 | 0% | 0 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -60 | -41.4 | 172 | 0 | 0 | 0 | 0 | 0 | 112.1 | I899 C902 L903 E907 W908 R909 A915 I935 | I899-A911 HydrophobicContact CG2-CB 4.42Å; C902-A911 HydrophobicContact CB-CB 3.95Å; L903-A911 HydrophobicContact CD2-CB 3.81Å; L903-A911 HydrophobicContact CG-CB 4.09Å; E907-A911 PolarHBondContact O-N 3.49Å; W908-A911 PolarHBondContact O-N 3.35Å; R909-A911 VanDerWaalsContact C-N 3.29Å; R909-A911 PolarHBondContact O-N 2.97Å; A911-A915 WeakPolarHBondContact O-CB 3.2Å; A911-A915 PolarHBondContact O-N 3.4Å; A911-I935 HydrophobicContact CB-CD1 4.4Å |
| 912 | Y | 77.9 | Confident | 72.9 | Confident | 42 Ų | 42 | 70.5 Ų | 70.5 | 17% | 0.165 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -67.8 | -40.7 | 174.8 | -101.1 | -71 | 0 | 0 | 0 | 113.2 | W908 R909 V910 A915 K916 E932 I935 D936 | W908-Y912 WeakPolarHBondContact O-CB 3.44Å; W908-Y912 WeakPolarHBondContact O-CD2 3.45Å; W908-Y912 PolarHBondContact O-N 3.46Å; R909-Y912 WeakPolarHBondContact O-CB 3.39Å; R909-Y912 PolarHBondContact O-N 2.85Å; R909-Y912 VanDerWaalsContact O-N 3.17Å; V910-Y912 VanDerWaalsContact C-N 3.33Å; V910-Y912 PolarHBondContact O-N 3.12Å; Y912-A915 PolarHBondContact O-N 3.48Å; Y912-K916 WeakPolarHBondContact O-CB 3.31Å; Y912-K916 WeakPolarHBondContact O-CG 3.27Å; Y912-K916 PolarHBondContact O-N 3.01Å; Y912-E932 HydrophobicContact CD1-CG 4.32Å; Y912-E932 HydrophobicContact CE1-CB 4.28Å; Y912-E932 HydrophobicContact CE1-CG 4.01Å; Y912-I935 HydrophobicContact CD2-CG2 3.89Å; Y912-I935 HydrophobicContact CE2-CB 4.4Å; Y912-I935 HydrophobicContact CE2-CG2 3.48Å; Y912-I935 VanDerWaalsContact CE2-CG2 3.48Å; Y912-D936 PolarHBondContact OH-OD1 3.17Å |
| 913 | E | 79.8 | Confident | 71.3 | Confident | 106 Ų | 106 | 75.4 Ų | 75.4 | 50% | 0.495 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -67.3 | -42.3 | 176.3 | -72.3 | 174.7 | -168.3 | 0 | 0 | 111.3 | R909 V910 K916 S917 | R909-E913 IonicContact CZ-OE1 2.67Å; R909-E913 IonicContact NE-OE1 3.43Å; R909-E913 PolarHBondContact NE-OE1 3.47Å; R909-E913 VanDerWaalsContact NE-OE1 3.09Å; R909-E913 IonicContact NH2-OE1 3.23Å; R909-E913 WeakPolarHBondContact O-CG 3.47Å; R909-E913 PolarHBondContact O-N 3.28Å; V910-E913 PolarHBondContact O-N 3.21Å; E913-K916 PolarHBondContact O-N 2.89Å; E913-S917 WeakPolarHBondContact O-CB 3.38Å; E913-S917 PolarHBondContact O-N 2.98Å |
| 914 | L | 79.4 | Confident | 69.8 | Low | 27 Ų | 27 | 79.5 Ų | 79.5 | 14% | 0.141 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -64.3 | -44 | 173.8 | -76.2 | 172.4 | 0 | 0 | 0 | 111.3 | V886 I890 I899 V910 K916 S917 I918 | V886-L914 HydrophobicContact CG1-CD1 4.05Å; V886-L914 HydrophobicContact CG1-CD2 4.12Å; V886-L914 HydrophobicContact CG2-CD1 4.26Å; I890-L914 HydrophobicContact CD1-CD2 4.25Å; I899-L914 HydrophobicContact CG1-CB 3.92Å; I899-L914 HydrophobicContact CG1-CD1 4.43Å; V910-L914 HydrophobicContact CG1-CD1 3.95Å; V910-L914 HydrophobicContact CG1-CG 4.2Å; V910-L914 VanDerWaalsContact O-CB 3.27Å; V910-L914 WeakPolarHBondContact O-CB 3.43Å; V910-L914 VanDerWaalsContact O-CG 3.31Å; V910-L914 WeakPolarHBondContact O-CG 3.43Å; V910-L914 PolarHBondContact O-N 3.04Å; L914-K916 VanDerWaalsContact C-N 3.34Å; L914-K916 PolarHBondContact O-N 3.21Å; L914-S917 WeakPolarHBondContact CA-OG 3.42Å; L914-S917 PolarHBondContact O-N 2.75Å; L914-S917 VanDerWaalsContact O-N 3.16Å; L914-S917 PolarHBondContact O-OG 3.48Å; L914-I918 PolarHBondContact O-N 3.41Å |
| 915 | A | 76.7 | Confident | 68.4 | Low | 0 Ų | 0 | 78.6 Ų | 78.6 | 0% | 0 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -57.5 | -47.9 | 173.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | A911 Y912 S917 I918 H928 I935 | A911-A915 WeakPolarHBondContact O-CB 3.2Å; A911-A915 PolarHBondContact O-N 3.4Å; Y912-A915 PolarHBondContact O-N 3.48Å; A915-S917 VanDerWaalsContact C-N 3.31Å; A915-S917 PolarHBondContact O-N 2.8Å; A915-I918 WeakPolarHBondContact O-CB 3.29Å; A915-I918 WeakPolarHBondContact O-CG1 3.47Å; A915-I918 PolarHBondContact O-N 2.64Å; A915-H928 PolarHBondContact O-CE1 2.82Å; A915-H928 PolarHBondContact O-ND1 3.25Å; A915-I935 HydrophobicContact CB-CD1 3.84Å |
| 916 | K | 73.1 | Confident | 67.2 | Low | 128 Ų | 128 | 82.7 Ų | 82.7 | 56% | 0.557 | 43% | 0.427 | S | S | * | . | H | α-helix | trans | -63.3 | -29 | 175.4 | -79.2 | -178.5 | 179.7 | 178.6 | 0 | 114.3 | Y912 E913 L914 I918 H928 E932 | Y912-K916 WeakPolarHBondContact O-CB 3.31Å; Y912-K916 WeakPolarHBondContact O-CG 3.27Å; Y912-K916 PolarHBondContact O-N 3.01Å; E913-K916 PolarHBondContact O-N 2.89Å; L914-K916 VanDerWaalsContact C-N 3.34Å; L914-K916 PolarHBondContact O-N 3.21Å; K916-I918 VanDerWaalsContact C-N 3.28Å; K916-I918 PolarHBondContact O-N 2.93Å; K916-H928 PolarHBondContact O-CE1 2.89Å; K916-H928 VanDerWaalsContact O-CE1 3.23Å; K916-E932 WeakPolarHBondContact CE-OE1 3.38Å |
| 917 | S | 71 | Confident | 66.5 | Low | 60 Ų | 60 | 83.6 Ų | 83.6 | 42% | 0.42 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -77.8 | -8.1 | 179.1 | 74.6 | 0 | 0 | 0 | 0 | 114.6 | E913 L914 A915 D919 | E913-S917 WeakPolarHBondContact O-CB 3.38Å; E913-S917 PolarHBondContact O-N 2.98Å; L914-S917 WeakPolarHBondContact CA-OG 3.42Å; L914-S917 PolarHBondContact O-N 2.75Å; L914-S917 VanDerWaalsContact O-N 3.16Å; L914-S917 PolarHBondContact O-OG 3.48Å; A915-S917 VanDerWaalsContact C-N 3.31Å; A915-S917 PolarHBondContact O-N 2.8Å; S917-D919 PolarHBondContact O-N 3.37Å |
| 918 | I | 65.3 | Low | 65.5 | Low | 36 Ų | 36 | 80.9 Ų | 80.9 | 19% | 0.185 | 42% | 0.416 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.6 | -18.4 | 175.3 | -63.7 | 171.2 | 0 | 0 | 0 | 110.8 | I899 L914 A915 K916 S920 | I899-I918 HydrophobicContact CD1-CD1 3.98Å; L914-I918 PolarHBondContact O-N 3.41Å; A915-I918 WeakPolarHBondContact O-CB 3.29Å; A915-I918 WeakPolarHBondContact O-CG1 3.47Å; A915-I918 PolarHBondContact O-N 2.64Å; K916-I918 VanDerWaalsContact C-N 3.28Å; K916-I918 PolarHBondContact O-N 2.93Å; I918-S920 PolarHBondContact O-N 2.83Å |
| 919 | D | 51.9 | Low | 64.8 | Low | 76 Ų | 76 | 86.1 Ų | 86.1 | 41% | 0.406 | 44% | 0.441 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.9 | 96.1 | 176.6 | -97.6 | -9.4 | 0 | 0 | 0 | 111.5 | S917 H925 H928 | S917-D919 PolarHBondContact O-N 3.37Å; D919-H925 IonicContact OD1-CE1 3.74Å; D919-H925 IonicContact OD1-ND1 3.71Å; D919-H928 WeakPolarHBondContact CB-NE2 3.41Å; D919-H928 PolarHBondContact N-NE2 3.14Å; D919-H928 IonicContact OD1-CD2 4Å; D919-H928 PolarHBondContact OD1-CD2 3.25Å; D919-H928 IonicContact OD1-NE2 3.81Å; D919-H928 PolarHBondContact OD1-NE2 3.35Å; D919-H928 VanDerWaalsContact OD1-NE2 3.11Å; D919-H928 IonicContact OD2-CD2 2.82Å; D919-H928 IonicContact OD2-NE2 2.98Å |
| 920 | S | 52.9 | Low | 64.6 | Low | 108 Ų | 108 | 83.4 Ų | 83.4 | 76% | 0.755 | 44% | 0.436 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -170.1 | -12.8 | 142.8 | 46.3 | 0 | 0 | 0 | 0 | 114.1 | I918 | I918-S920 PolarHBondContact O-N 2.83Š|
| 921 | Q | 52.6 | Low | 64.1 | Low | 157 Ų | 157 | 82.8 Ų | 82.8 | 73% | 0.734 | 43% | 0.429 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -125.8 | -20 | -174 | -68 | -173.8 | -14.4 | 0 | 0 | 115.7 | ||
| 922 | D | 50.2 | Low | 63.7 | Low | 118 Ų | 118 | 85.5 Ų | 85.5 | 63% | 0.631 | 44% | 0.442 | S | S | * | . | trans | -107 | 127.9 | 179.4 | -67.2 | -35.6 | 0 | 0 | 0 | 111 | D924 | D922-D924 PolarHBondContact O-N 3.25Š| ||
| 923 | A | 50.3 | Low | 63.7 | Low | 102 Ų | 102 | 89.5 Ų | 89.5 | 84% | 0.843 | 46% | 0.461 | S | S | * | . | S | Bend | trans | -70.2 | 11.3 | -173.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||
| 924 | D | 52.6 | Low | 63.8 | Low | 104 Ų | 104 | 89.2 Ų | 89.2 | 56% | 0.556 | 46% | 0.455 | S | S | * | . | trans | -108.4 | 79.4 | -172.9 | -71.5 | -27.5 | 0 | 0 | 0 | 111.4 | D922 H926 H927 | D922-D924 PolarHBondContact O-N 3.25Å; D924-H926 PolarHBondContact O-N 2.88Å; D924-H927 PolarHBondContact O-N 2.91Å; D924-H927 VanDerWaalsContact O-N 3.13Å | ||
| 925 | H | 51.3 | Low | 63.8 | Low | 143 Ų | 143 | 88 Ų | 88 | 66% | 0.662 | 45% | 0.448 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.9 | -15.7 | 170.3 | -85.5 | -50.8 | 0 | 0 | 0 | 113.8 | D919 | D919-H925 IonicContact OD1-CE1 3.74Å; D919-H925 IonicContact OD1-ND1 3.71Å |
| 926 | H | 56.3 | Low | 64 | Low | 149 Ų | 149 | 89.7 Ų | 89.7 | 69% | 0.69 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -69.2 | -31 | 177.2 | -89.2 | -66.5 | 0 | 0 | 0 | 114 | D924 H928 | D924-H926 PolarHBondContact O-N 2.88Å; H926-H928 VanDerWaalsContact C-N 3.34Å; H926-H928 PolarHBondContact O-N 2.75Å |
| 927 | H | 60.5 | Low | 64.5 | Low | 97 Ų | 97 | 88.1 Ų | 88.1 | 45% | 0.449 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -74 | -23.7 | -176.9 | -84.8 | -24.5 | 0 | 0 | 0 | 113.9 | D924 E930 Q931 | D924-H927 PolarHBondContact O-N 2.91Å; D924-H927 VanDerWaalsContact O-N 3.13Å; H927-E930 IonicContact CE1-OE2 3.58Å; H927-E930 IonicContact ND1-OE2 3.78Å; H927-E930 PolarHBondContact ND1-OE2 2.48Å; H927-Q931 WeakPolarHBondContact O-CG 3.31Å; H927-Q931 PolarHBondContact O-N 3.36Å |
| 928 | H | 58 | Low | 65 | Low | 18 Ų | 18 | 88.1 Ų | 88.1 | 8% | 0.083 | 45% | 0.45 | C | S | . | . | H | α-helix | trans | -63.7 | -56.3 | 176.7 | -103.3 | -77.6 | 0 | 0 | 0 | 113.2 | A915 K916 D919 H926 E930 Q931 E932 | A915-H928 PolarHBondContact O-CE1 2.82Å; A915-H928 PolarHBondContact O-ND1 3.25Å; K916-H928 PolarHBondContact O-CE1 2.89Å; K916-H928 VanDerWaalsContact O-CE1 3.23Å; D919-H928 WeakPolarHBondContact CB-NE2 3.41Å; D919-H928 PolarHBondContact N-NE2 3.14Å; D919-H928 IonicContact OD1-CD2 4Å; D919-H928 PolarHBondContact OD1-CD2 3.25Å; D919-H928 IonicContact OD1-NE2 3.81Å; D919-H928 PolarHBondContact OD1-NE2 3.35Å; D919-H928 VanDerWaalsContact OD1-NE2 3.11Å; D919-H928 IonicContact OD2-CD2 2.82Å; D919-H928 IonicContact OD2-NE2 2.98Å; H926-H928 VanDerWaalsContact C-N 3.34Å; H926-H928 PolarHBondContact O-N 2.75Å; H928-E930 PolarHBondContact O-N 3.47Å; H928-Q931 PolarHBondContact O-N 2.83Å; H928-E932 PolarHBondContact O-N 2.88Å |
| 929 | Q | 63.2 | Low | 65.9 | Low | 121 Ų | 121 | 86.5 Ų | 86.5 | 57% | 0.565 | 44% | 0.442 | S | S | * | . | H | α-helix | trans | -65.7 | -28.9 | -178 | -70.8 | -173.7 | 0.5 | 0 | 0 | 111.6 | K933 | Q929-K933 WeakPolarHBondContact O-CB 3.42Å; Q929-K933 WeakPolarHBondContact O-CD 3.33Å; Q929-K933 WeakPolarHBondContact O-CG 3.48Å; Q929-K933 PolarHBondContact O-N 3.3Å |
| 930 | E | 71.9 | Confident | 67.4 | Low | 115 Ų | 115 | 88.2 Ų | 88.2 | 54% | 0.537 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -69.5 | -44.7 | 173.9 | -77.2 | -174.9 | 155.6 | 0 | 0 | 112.4 | H927 H928 K933 R934 | H927-E930 IonicContact CE1-OE2 3.58Å; H927-E930 IonicContact ND1-OE2 3.78Å; H927-E930 PolarHBondContact ND1-OE2 2.48Å; H928-E930 PolarHBondContact O-N 3.47Å; E930-K933 PolarHBondContact O-N 2.79Å; E930-R934 VanDerWaalsContact O-CB 3.27Å; E930-R934 WeakPolarHBondContact O-CB 3.47Å; E930-R934 PolarHBondContact O-N 2.8Å |
| 931 | Q | 69.7 | Low | 68.8 | Low | 31 Ų | 31 | 89.2 Ų | 89.2 | 15% | 0.145 | 44% | 0.438 | C | S | . | . | H | α-helix | trans | -68.8 | -42.5 | 177.3 | -69.2 | -63.2 | -21.6 | 0 | 0 | 111.7 | H927 H928 K933 R934 I935 | H927-Q931 WeakPolarHBondContact O-CG 3.31Å; H927-Q931 PolarHBondContact O-N 3.36Å; H928-Q931 PolarHBondContact O-N 2.83Å; Q931-K933 PolarHBondContact O-N 2.95Å; Q931-R934 WeakPolarHBondContact O-CB 3.02Å; Q931-R934 PolarHBondContact O-N 2.81Å; Q931-R934 VanDerWaalsContact O-N 3.16Å; Q931-I935 VanDerWaalsContact O-CG1 3.27Å; Q931-I935 WeakPolarHBondContact O-CG1 3.47Å; Q931-I935 PolarHBondContact O-N 3.43Å |
| 932 | E | 72.7 | Confident | 70.2 | Confident | 57 Ų | 57 | 83.1 Ų | 83.1 | 27% | 0.266 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -60.7 | -44.6 | 174.2 | -75.5 | -166.8 | 149.4 | 0 | 0 | 111.4 | Y912 K916 H928 R934 I935 D936 | Y912-E932 HydrophobicContact CD1-CG 4.32Å; Y912-E932 HydrophobicContact CE1-CB 4.28Å; Y912-E932 HydrophobicContact CE1-CG 4.01Å; K916-E932 WeakPolarHBondContact CE-OE1 3.38Å; H928-E932 PolarHBondContact O-N 2.88Å; E932-R934 VanDerWaalsContact C-N 3.32Å; E932-R934 PolarHBondContact O-N 2.86Å; E932-I935 PolarHBondContact O-N 2.69Å; E932-D936 WeakPolarHBondContact O-CB 3.46Å; E932-D936 PolarHBondContact O-N 3.04Å |
| 933 | K | 78.4 | Confident | 71.8 | Confident | 127 Ų | 127 | 77.5 Ų | 77.5 | 55% | 0.552 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -63.4 | -36.1 | 174.1 | -77.3 | 173.5 | -176.9 | 171.6 | 0 | 112.6 | Q929 E930 Q931 D936 N937 | Q929-K933 WeakPolarHBondContact O-CB 3.42Å; Q929-K933 WeakPolarHBondContact O-CD 3.33Å; Q929-K933 WeakPolarHBondContact O-CG 3.48Å; Q929-K933 PolarHBondContact O-N 3.3Å; E930-K933 PolarHBondContact O-N 2.79Å; Q931-K933 PolarHBondContact O-N 2.95Å; K933-D936 PolarHBondContact O-N 2.87Å; K933-N937 VanDerWaalsContact O-CB 3.3Å; K933-N937 WeakPolarHBondContact O-CB 3.29Å; K933-N937 VanDerWaalsContact O-CG 3.27Å; K933-N937 PolarHBondContact O-N 3.46Å; K933-N937 PolarHBondContact O-ND2 3.1Å |
| 934 | R | 81.8 | Confident | 73.5 | Confident | 100 Ų | 100 | 75.9 Ų | 75.9 | 38% | 0.377 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -63.5 | -47.1 | 175.4 | 179.9 | -179.4 | 170.2 | -141.9 | -4.6 | 110.3 | D900 E930 Q931 E932 N937 L938 | D900-R934 IonicContact OD1-CZ 3.19Å; D900-R934 IonicContact OD1-NH1 2.71Å; D900-R934 IonicContact OD1-NH2 3.54Å; D900-R934 PolarHBondContact OD1-NH2 3.18Å; E930-R934 VanDerWaalsContact O-CB 3.27Å; E930-R934 WeakPolarHBondContact O-CB 3.47Å; E930-R934 PolarHBondContact O-N 2.8Å; Q931-R934 WeakPolarHBondContact O-CB 3.02Å; Q931-R934 PolarHBondContact O-N 2.81Å; Q931-R934 VanDerWaalsContact O-N 3.16Å; E932-R934 VanDerWaalsContact C-N 3.32Å; E932-R934 PolarHBondContact O-N 2.86Å; R934-N937 PolarHBondContact O-N 3.4Å; R934-L938 HydrophobicContact CG-CD1 4.1Å; R934-L938 WeakPolarHBondContact O-CB 3.47Å; R934-L938 VanDerWaalsContact O-CG 3.27Å; R934-L938 WeakPolarHBondContact O-CG 3.38Å; R934-L938 PolarHBondContact O-N 2.9Å |
| 935 | I | 79.1 | Confident | 74.9 | Confident | 0 Ų | 0 | 73.6 Ų | 73.6 | 0% | 0 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -61.9 | -45.7 | 176.8 | -64 | 169.4 | 0 | 0 | 0 | 110.2 | L903 W908 A911 Y912 A915 Q931 E932 N937 L938 L939 | L903-I935 HydrophobicContact CD1-CG1 4.48Å; L903-I935 HydrophobicContact CD2-CG1 4.25Å; L903-I935 HydrophobicContact CD2-CG2 4.17Å; W908-I935 HydrophobicContact CE3-CG2 3.71Å; W908-I935 HydrophobicContact CZ3-CG2 3.95Å; W908-I935 WeakPolarHBondContact CZ3-O 3.23Å; A911-I935 HydrophobicContact CB-CD1 4.4Å; Y912-I935 HydrophobicContact CD2-CG2 3.89Å; Y912-I935 HydrophobicContact CE2-CB 4.4Å; Y912-I935 HydrophobicContact CE2-CG2 3.48Å; Y912-I935 VanDerWaalsContact CE2-CG2 3.48Å; A915-I935 HydrophobicContact CB-CD1 3.84Å; Q931-I935 VanDerWaalsContact O-CG1 3.27Å; Q931-I935 WeakPolarHBondContact O-CG1 3.47Å; Q931-I935 PolarHBondContact O-N 3.43Å; E932-I935 PolarHBondContact O-N 2.69Å; I935-N937 PolarHBondContact O-N 3.05Å; I935-L938 PolarHBondContact O-N 3.11Å; I935-L939 WeakPolarHBondContact O-CB 3.4Å; I935-L939 PolarHBondContact O-N 3.26Å |
| 936 | D | 80.3 | Confident | 76.4 | Confident | 36 Ų | 36 | 69 Ų | 69 | 19% | 0.193 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -64.4 | -38.2 | 178.7 | -107.5 | -0.7 | 0 | 0 | 0 | 113.7 | Y912 E932 K933 K940 R964 | Y912-D936 PolarHBondContact OH-OD1 3.17Å; E932-D936 WeakPolarHBondContact O-CB 3.46Å; E932-D936 PolarHBondContact O-N 3.04Å; K933-D936 PolarHBondContact O-N 2.87Å; D936-K940 WeakPolarHBondContact O-CG 3.27Å; D936-K940 PolarHBondContact O-N 2.86Å; D936-K940 VanDerWaalsContact O-N 3.09Å; D936-R964 IonicContact OD1-CZ 3.48Å; D936-R964 IonicContact OD1-NE 3.49Å; D936-R964 IonicContact OD1-NH2 3.94Å; D936-R964 PolarHBondContact OD1-NH2 2.68Å; D936-R964 IonicContact OD2-NH2 3.97Å; D936-R964 PolarHBondContact OD2-NH2 3.37Å |
| 937 | N | 84.4 | Confident | 77.7 | Confident | 95 Ų | 95 | 65.4 Ų | 65.4 | 51% | 0.508 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -69 | -42.3 | 175.6 | -78.5 | -19.3 | 0 | 0 | 0 | 111.6 | K933 R934 I935 L939 K940 Q941 | K933-N937 VanDerWaalsContact O-CB 3.3Å; K933-N937 WeakPolarHBondContact O-CB 3.29Å; K933-N937 VanDerWaalsContact O-CG 3.27Å; K933-N937 PolarHBondContact O-N 3.46Å; K933-N937 PolarHBondContact O-ND2 3.1Å; R934-N937 PolarHBondContact O-N 3.4Å; I935-N937 PolarHBondContact O-N 3.05Å; N937-L939 VanDerWaalsContact C-N 3.35Å; N937-K940 PolarHBondContact O-N 2.83Å; N937-Q941 WeakPolarHBondContact O-CB 3.5Å; N937-Q941 VanDerWaalsContact O-CG 3.3Å; N937-Q941 WeakPolarHBondContact O-CG 3.45Å; N937-Q941 PolarHBondContact O-N 2.96Å |
| 938 | L | 82.4 | Confident | 78.8 | Confident | 61 Ų | 61 | 68.3 Ų | 68.3 | 32% | 0.319 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -62.3 | -43.2 | 175.7 | -73.4 | 171.5 | 0 | 0 | 0 | 111.1 | L903 W908 R934 I935 K940 Q941 S942 | L903-L938 HydrophobicContact CD1-CD1 4.25Å; W908-L938 HydrophobicContact CH2-CB 3.97Å; W908-L938 HydrophobicContact CZ3-CB 4.12Å; R934-L938 HydrophobicContact CG-CD1 4.1Å; R934-L938 WeakPolarHBondContact O-CB 3.47Å; R934-L938 VanDerWaalsContact O-CG 3.27Å; R934-L938 WeakPolarHBondContact O-CG 3.38Å; R934-L938 PolarHBondContact O-N 2.9Å; I935-L938 PolarHBondContact O-N 3.11Å; L938-K940 PolarHBondContact O-N 2.86Å; L938-Q941 PolarHBondContact O-N 2.99Å; L938-S942 PolarHBondContact O-N 2.58Å; L938-S942 PolarHBondContact O-OG 3.15Å |
| 939 | L | 83 | Confident | 79.9 | Confident | 1 Ų | 1 | 72.6 Ų | 72.6 | 1% | 0.005 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -58.8 | -47.9 | 176.3 | -173.5 | 78.4 | 0 | 0 | 0 | 111.4 | W908 I935 N937 Q941 S942 V943 L958 Y959 A962 | W908-L939 HydrophobicContact CD2-CD1 3.73Å; W908-L939 HydrophobicContact CE3-CB 4.22Å; W908-L939 HydrophobicContact CE3-CD1 3.89Å; W908-L939 HydrophobicContact CG-CD1 4.18Å; W908-L939 HydrophobicContact CH2-CB 4.25Å; W908-L939 HydrophobicContact CH2-CD1 4.35Å; W908-L939 HydrophobicContact CZ2-CD1 4.2Å; W908-L939 HydrophobicContact CZ3-CB 3.89Å; W908-L939 HydrophobicContact CZ3-CD1 4.19Å; I935-L939 WeakPolarHBondContact O-CB 3.4Å; I935-L939 PolarHBondContact O-N 3.26Å; N937-L939 VanDerWaalsContact C-N 3.35Å; L939-Q941 VanDerWaalsContact C-N 3.35Å; L939-Q941 PolarHBondContact O-N 2.96Å; L939-S942 WeakPolarHBondContact CA-OG 3.18Å; L939-S942 PolarHBondContact O-N 3.5Å; L939-S942 PolarHBondContact O-OG 3.37Å; L939-V943 VanDerWaalsContact O-CG2 3.29Å; L939-V943 WeakPolarHBondContact O-CG2 3.4Å; L939-V943 PolarHBondContact O-N 2.76Å; L939-L958 HydrophobicContact CD1-CD2 3.43Å; L939-L958 VanDerWaalsContact CD1-CD2 3.43Å; L939-L958 HydrophobicContact CD1-CG 4.04Å; L939-L958 HydrophobicContact CG-CD2 4.22Å; L939-Y959 HydrophobicContact CD2-CD1 4.28Å; L939-Y959 HydrophobicContact CD2-CE1 4.38Å; L939-A962 HydrophobicContact CD1-CB 3.5Å; L939-A962 HydrophobicContact CD2-CB 3.51Å; L939-A962 HydrophobicContact CG-CB 4.17Å |
| 940 | K | 83.2 | Confident | 80.6 | Confident | 112 Ų | 112 | 69.5 Ų | 69.5 | 49% | 0.487 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -62.8 | -41 | 177.6 | -75.1 | 176.1 | -178 | 172.7 | 0 | 111.9 | D936 N937 L938 V944 | D936-K940 WeakPolarHBondContact O-CG 3.27Å; D936-K940 PolarHBondContact O-N 2.86Å; D936-K940 VanDerWaalsContact O-N 3.09Å; N937-K940 PolarHBondContact O-N 2.83Å; L938-K940 PolarHBondContact O-N 2.86Å; K940-V944 WeakPolarHBondContact O-CB 3.3Å; K940-V944 VanDerWaalsContact O-CG2 3.24Å; K940-V944 WeakPolarHBondContact O-CG2 3.37Å; K940-V944 PolarHBondContact O-N 2.82Å |
| 941 | Q | 83.9 | Confident | 81.2 | Confident | 129 Ų | 129 | 69.9 Ų | 69.9 | 60% | 0.603 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -64.2 | -44.7 | 177.3 | -75.4 | 174.7 | -7.5 | 0 | 0 | 112.1 | N937 L938 L939 V944 C945 | N937-Q941 WeakPolarHBondContact O-CB 3.5Å; N937-Q941 VanDerWaalsContact O-CG 3.3Å; N937-Q941 WeakPolarHBondContact O-CG 3.45Å; N937-Q941 PolarHBondContact O-N 2.96Å; L938-Q941 PolarHBondContact O-N 2.99Å; L939-Q941 VanDerWaalsContact C-N 3.35Å; L939-Q941 PolarHBondContact O-N 2.96Å; Q941-V944 PolarHBondContact O-N 2.81Å; Q941-C945 WeakPolarHBondContact O-CB 3.44Å; Q941-C945 PolarHBondContact O-N 3.07Å |
| 942 | S | 80.7 | Confident | 81.9 | Confident | 29 Ų | 29 | 69.6 Ų | 69.6 | 20% | 0.203 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -65.3 | -42 | 178.1 | 50.3 | 0 | 0 | 0 | 0 | 111.9 | L938 L939 C945 F946 L958 | L938-S942 PolarHBondContact O-N 2.58Å; L938-S942 PolarHBondContact O-OG 3.15Å; L939-S942 WeakPolarHBondContact CA-OG 3.18Å; L939-S942 PolarHBondContact O-N 3.5Å; L939-S942 PolarHBondContact O-OG 3.37Å; S942-C945 WeakPolarHBondContact O-CB 3.31Å; S942-C945 PolarHBondContact O-N 3.46Å; S942-F946 WeakPolarHBondContact O-CD2 2.94Å; S942-F946 PolarHBondContact O-N 2.99Å; S942-L958 WeakPolarHBondContact OG-CD2 3.5Å |
| 943 | V | 83.5 | Confident | 82.5 | Confident | 0 Ų | 0 | 68.2 Ų | 68.2 | 0% | 0 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -62.4 | -48 | 175.4 | 173.2 | 0 | 0 | 0 | 0 | 110.7 | L939 C945 F946 I947 A955 L958 Y959 L971 | L939-V943 VanDerWaalsContact O-CG2 3.29Å; L939-V943 WeakPolarHBondContact O-CG2 3.4Å; L939-V943 PolarHBondContact O-N 2.76Å; V943-C945 VanDerWaalsContact C-N 3.26Å; V943-C945 PolarHBondContact O-N 2.86Å; V943-F946 PolarHBondContact O-N 3.45Å; V943-F946 VanDerWaalsContact O-N 3.15Å; V943-I947 HydrophobicContact CG1-CD1 3.77Å; V943-I947 HydrophobicContact CG1-CG1 4.25Å; V943-I947 VanDerWaalsContact O-CG1 3.3Å; V943-I947 WeakPolarHBondContact O-CG1 3.15Å; V943-I947 PolarHBondContact O-N 3.43Å; V943-A955 HydrophobicContact CG1-CB 4.05Å; V943-L958 HydrophobicContact CG2-CB 4.49Å; V943-L958 HydrophobicContact CG2-CD2 3.4Å; V943-L958 VanDerWaalsContact CG2-CD2 3.4Å; V943-Y959 HydrophobicContact CB-CE1 4.39Å; V943-Y959 HydrophobicContact CB-CE2 4.09Å; V943-Y959 HydrophobicContact CG1-CD2 3.94Å; V943-Y959 HydrophobicContact CG1-CE1 4.36Å; V943-Y959 HydrophobicContact CG1-CE2 3.22Å; V943-Y959 VanDerWaalsContact CG1-CZ 3.46Å; V943-Y959 HydrophobicContact CG2-CD1 3.95Å; V943-Y959 HydrophobicContact CG2-CD2 4.06Å; V943-Y959 HydrophobicContact CG2-CE1 3.71Å; V943-Y959 HydrophobicContact CG2-CE2 3.87Å; V943-Y959 HydrophobicContact CG2-CG 4.1Å; V943-L971 HydrophobicContact CG1-CD1 4.24Å |
| 944 | V | 85.8 | Confident | 82.7 | Confident | 69 Ų | 69 | 65.1 Ų | 65.1 | 42% | 0.418 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -58.4 | -41.9 | 178.7 | 169.6 | 0 | 0 | 0 | 0 | 110.7 | K940 Q941 F946 I947 E948 | K940-V944 WeakPolarHBondContact O-CB 3.3Å; K940-V944 VanDerWaalsContact O-CG2 3.24Å; K940-V944 WeakPolarHBondContact O-CG2 3.37Å; K940-V944 PolarHBondContact O-N 2.82Å; Q941-V944 PolarHBondContact O-N 2.81Å; V944-F946 PolarHBondContact O-N 3.26Å; V944-I947 PolarHBondContact O-N 2.8Å; V944-E948 HydrophobicContact CG1-CG 4.3Å; V944-E948 WeakPolarHBondContact O-CB 3.37Å; V944-E948 WeakPolarHBondContact O-CG 3.3Å; V944-E948 PolarHBondContact O-N 3.1Å |
| 945 | C | 81.9 | Confident | 82.8 | Confident | 56 Ų | 56 | 60.3 Ų | 60.3 | 38% | 0.378 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -60.1 | -45.3 | 175.8 | -168.9 | 0 | 0 | 0 | 0 | 112.3 | Q941 S942 V943 I947 E948 Q949 | Q941-C945 WeakPolarHBondContact O-CB 3.44Å; Q941-C945 PolarHBondContact O-N 3.07Å; S942-C945 WeakPolarHBondContact O-CB 3.31Å; S942-C945 PolarHBondContact O-N 3.46Å; V943-C945 VanDerWaalsContact C-N 3.26Å; V943-C945 PolarHBondContact O-N 2.86Å; C945-I947 PolarHBondContact O-N 2.93Å; C945-E948 PolarHBondContact O-N 3.36Å; C945-Q949 WeakPolarHBondContact O-CG 3.31Å; C945-Q949 PolarHBondContact O-N 3.11Å; C945-Q949 PolarHBondContact SG-NE2 2.88Å; C945-Q949 VanDerWaalsContact SG-NE2 3.39Å |
| 946 | F | 82.9 | Confident | 83.2 | Confident | 47 Ų | 47 | 60.6 Ų | 60.6 | 21% | 0.206 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -63.7 | -39.4 | 175.9 | -76.4 | -58.2 | 0 | 0 | 0 | 112.5 | S942 V943 V944 Q949 G950 R951 E954 A955 L958 | S942-F946 WeakPolarHBondContact O-CD2 2.94Å; S942-F946 PolarHBondContact O-N 2.99Å; V943-F946 PolarHBondContact O-N 3.45Å; V943-F946 VanDerWaalsContact O-N 3.15Å; V944-F946 PolarHBondContact O-N 3.26Å; F946-Q949 PolarHBondContact O-N 3.29Å; F946-G950 PolarHBondContact O-N 3.06Å; F946-R951 HydrophobicContact CD1-CB 4.15Å; F946-R951 CarbonylContact O-C 3.53Å; F946-R951 WeakPolarHBondContact O-CA 3.42Å; F946-R951 PolarHBondContact O-N 3.13Å; F946-E954 HydrophobicContact CD1-CB 3.95Å; F946-E954 WeakPolarHBondContact CD1-OE2 3.45Å; F946-E954 HydrophobicContact CE1-CB 4.14Å; F946-E954 WeakPolarHBondContact CE1-OE2 3.46Å; F946-E954 HydrophobicContact CG-CB 4.27Å; F946-A955 HydrophobicContact CB-CB 3.76Å; F946-L958 HydrophobicContact CE2-CD1 4.13Å |
| 947 | I | 83.8 | Confident | 83.3 | Confident | 73 Ų | 73 | 61.9 Ų | 61.9 | 37% | 0.374 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -63.6 | -45.4 | 175.2 | -63.8 | 167.4 | 0 | 0 | 0 | 110.8 | V943 V944 C945 Q949 G950 A955 L971 | V943-I947 HydrophobicContact CG1-CD1 3.77Å; V943-I947 HydrophobicContact CG1-CG1 4.25Å; V943-I947 VanDerWaalsContact O-CG1 3.3Å; V943-I947 WeakPolarHBondContact O-CG1 3.15Å; V943-I947 PolarHBondContact O-N 3.43Å; V944-I947 PolarHBondContact O-N 2.8Å; C945-I947 PolarHBondContact O-N 2.93Å; I947-Q949 VanDerWaalsContact C-N 3.3Å; I947-Q949 PolarHBondContact O-N 3.25Å; I947-G950 PolarHBondContact O-N 2.82Å; I947-A955 HydrophobicContact CG1-CB 4.16Å; I947-L971 HydrophobicContact CD1-CD1 3.41Å; I947-L971 VanDerWaalsContact CD1-CD1 3.41Å; I947-L971 HydrophobicContact CG1-CD1 3.77Å |
| 948 | E | 83.8 | Confident | 83.3 | Confident | 158 Ų | 158 | 57.9 Ų | 57.9 | 74% | 0.738 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -64.1 | -33.8 | 179.6 | -75.2 | 178.4 | 172.2 | 0 | 0 | 112.4 | V944 C945 G950 | V944-E948 HydrophobicContact CG1-CG 4.3Å; V944-E948 WeakPolarHBondContact O-CB 3.37Å; V944-E948 WeakPolarHBondContact O-CG 3.3Å; V944-E948 PolarHBondContact O-N 3.1Å; C945-E948 PolarHBondContact O-N 3.36Å; E948-G950 PolarHBondContact O-N 3.34Å |
| 949 | Q | 81.5 | Confident | 83.5 | Confident | 107 Ų | 107 | 56.6 Ų | 56.6 | 50% | 0.5 | 29% | 0.287 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.5 | -1.2 | 173.9 | -67.9 | 178.4 | 14.4 | 0 | 0 | 113.9 | C945 F946 I947 R951 | C945-Q949 WeakPolarHBondContact O-CG 3.31Å; C945-Q949 PolarHBondContact O-N 3.11Å; C945-Q949 PolarHBondContact SG-NE2 2.88Å; C945-Q949 VanDerWaalsContact SG-NE2 3.39Å; F946-Q949 PolarHBondContact O-N 3.29Å; I947-Q949 VanDerWaalsContact C-N 3.3Å; I947-Q949 PolarHBondContact O-N 3.25Å; Q949-R951 VanDerWaalsContact C-N 3.26Å; Q949-R951 HydrophobicContact CB-CG 4.08Å; Q949-R951 PolarHBondContact O-N 3.17Å |
| 950 | G | 78.9 | Confident | 83.5 | Confident | 56 Ų | 56 | 57.9 Ų | 57.9 | 58% | 0.577 | 29% | 0.293 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 76 | 9.3 | -176.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | F946 I947 E948 I952 | F946-G950 PolarHBondContact O-N 3.06Å; I947-G950 PolarHBondContact O-N 2.82Å; E948-G950 PolarHBondContact O-N 3.34Å; G950-I952 PolarHBondContact O-N 3.1Å |
| 951 | R | 83.3 | Confident | 83.3 | Confident | 124 Ų | 124 | 57.2 Ų | 57.2 | 47% | 0.468 | 29% | 0.291 | S | S | . | . | trans | -93.7 | 64.5 | -177.4 | -54.9 | -167.5 | -167.6 | -174.8 | 1.9 | 111.5 | F946 Q949 I953 E954 A955 | F946-R951 HydrophobicContact CD1-CB 4.15Å; F946-R951 CarbonylContact O-C 3.53Å; F946-R951 WeakPolarHBondContact O-CA 3.42Å; F946-R951 PolarHBondContact O-N 3.13Å; Q949-R951 VanDerWaalsContact C-N 3.26Å; Q949-R951 HydrophobicContact CB-CG 4.08Å; Q949-R951 PolarHBondContact O-N 3.17Å; R951-I953 PolarHBondContact O-N 2.91Å; R951-E954 HydrophobicContact CB-CB 4.34Å; R951-E954 HydrophobicContact CB-CG 4.35Å; R951-E954 WeakPolarHBondContact CB-OE2 3.33Å; R951-E954 VanDerWaalsContact CD-CD 3.48Å; R951-E954 WeakPolarHBondContact CD-OE2 3.44Å; R951-E954 IonicContact NE-OE2 3.64Å; R951-E954 IonicContact NH1-OE1 2.81Å; R951-E954 IonicContact NH1-OE2 3.22Å; R951-E954 PolarHBondContact NH1-OE2 3.04Å; R951-E954 PolarHBondContact O-N 3.23Å; R951-A955 PolarHBondContact O-N 2.8Å | ||
| 952 | I | 85.2 | Confident | 83 | Confident | 24 Ų | 24 | 52.1 Ų | 52.1 | 12% | 0.123 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -67.4 | -37.1 | -170.8 | -68.6 | 172.7 | 0 | 0 | 0 | 111.8 | G950 E954 A955 V956 L971 E975 | G950-I952 PolarHBondContact O-N 3.1Å; I952-E954 PolarHBondContact O-N 2.79Å; I952-A955 WeakPolarHBondContact O-CB 3.29Å; I952-A955 PolarHBondContact O-N 3.06Å; I952-V956 VanDerWaalsContact O-CG2 3.26Å; I952-V956 WeakPolarHBondContact O-CG2 3.3Å; I952-V956 PolarHBondContact O-N 2.79Å; I952-L971 HydrophobicContact CB-CD2 4.38Å; I952-L971 HydrophobicContact CG2-CD2 3.35Å; I952-L971 HydrophobicContact CG2-CG 4.4Å; I952-E975 HydrophobicContact CD1-CB 4.14Å; I952-E975 HydrophobicContact CD1-CG 3.65Å; I952-E975 WeakPolarHBondContact CD1-OE2 3.15Å; I952-E975 HydrophobicContact CG2-CB 3.98Å; I952-E975 HydrophobicContact CG2-CG 4.09Å |
| 953 | I | 84.3 | Confident | 83 | Confident | 29 Ų | 29 | 51.7 Ų | 51.7 | 15% | 0.149 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -64.4 | -41.4 | 179.9 | -60.9 | 173.7 | 0 | 0 | 0 | 111.1 | R951 A955 V956 E957 L1036 | R951-I953 PolarHBondContact O-N 2.91Å; I953-A955 VanDerWaalsContact C-N 3.31Å; I953-A955 PolarHBondContact O-N 3.1Å; I953-V956 WeakPolarHBondContact O-CB 3.35Å; I953-V956 PolarHBondContact O-N 2.9Å; I953-E957 PolarHBondContact O-N 2.97Å; I953-L1036 HydrophobicContact CD1-CB 4.46Å |
| 954 | E | 82.4 | Confident | 83 | Confident | 61 Ų | 61 | 55.7 Ų | 55.7 | 29% | 0.285 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -64.1 | -37.3 | 176.2 | -62.4 | 171 | -174.2 | 0 | 0 | 111.3 | F946 R951 I952 E957 L958 | F946-E954 HydrophobicContact CD1-CB 3.95Å; F946-E954 WeakPolarHBondContact CD1-OE2 3.45Å; F946-E954 HydrophobicContact CE1-CB 4.14Å; F946-E954 WeakPolarHBondContact CE1-OE2 3.46Å; F946-E954 HydrophobicContact CG-CB 4.27Å; R951-E954 HydrophobicContact CB-CB 4.34Å; R951-E954 HydrophobicContact CB-CG 4.35Å; R951-E954 WeakPolarHBondContact CB-OE2 3.33Å; R951-E954 VanDerWaalsContact CD-CD 3.48Å; R951-E954 WeakPolarHBondContact CD-OE2 3.44Å; R951-E954 IonicContact NE-OE2 3.64Å; R951-E954 IonicContact NH1-OE1 2.81Å; R951-E954 IonicContact NH1-OE2 3.22Å; R951-E954 PolarHBondContact NH1-OE2 3.04Å; R951-E954 PolarHBondContact O-N 3.23Å; I952-E954 PolarHBondContact O-N 2.79Å; E954-E957 PolarHBondContact O-N 3.05Å; E954-L958 WeakPolarHBondContact O-CB 3.47Å; E954-L958 PolarHBondContact O-N 3.45Å |
| 955 | A | 85.1 | Confident | 83.1 | Confident | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -63.4 | -40.1 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | V943 F946 I947 R951 I952 I953 L958 Y959 L971 | V943-A955 HydrophobicContact CG1-CB 4.05Å; F946-A955 HydrophobicContact CB-CB 3.76Å; I947-A955 HydrophobicContact CG1-CB 4.16Å; R951-A955 PolarHBondContact O-N 2.8Å; I952-A955 WeakPolarHBondContact O-CB 3.29Å; I952-A955 PolarHBondContact O-N 3.06Å; I953-A955 VanDerWaalsContact C-N 3.31Å; I953-A955 PolarHBondContact O-N 3.1Å; A955-L958 PolarHBondContact O-N 3.47Å; A955-Y959 PolarHBondContact O-N 2.95Å; A955-Y959 VanDerWaalsContact O-N 3.09Å; A955-L971 HydrophobicContact CB-CD1 4.37Å; A955-L971 HydrophobicContact CB-CD2 4.29Å |
| 956 | V | 86.4 | Confident | 83.3 | Confident | 6 Ų | 6 | 53.4 Ų | 53.4 | 4% | 0.036 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -63.2 | -46.1 | 174.9 | 175.6 | 0 | 0 | 0 | 0 | 110.4 | I952 I953 L958 Y959 K960 A968 L971 L972 L1000 | I952-V956 VanDerWaalsContact O-CG2 3.26Å; I952-V956 WeakPolarHBondContact O-CG2 3.3Å; I952-V956 PolarHBondContact O-N 2.79Å; I953-V956 WeakPolarHBondContact O-CB 3.35Å; I953-V956 PolarHBondContact O-N 2.9Å; V956-L958 VanDerWaalsContact C-N 3.33Å; V956-L958 PolarHBondContact O-N 3.29Å; V956-Y959 PolarHBondContact O-N 3.13Å; V956-K960 WeakPolarHBondContact O-CB 3.49Å; V956-K960 PolarHBondContact O-N 2.85Å; V956-A968 HydrophobicContact CG1-CB 3.94Å; V956-L971 HydrophobicContact CG2-CD2 3.43Å; V956-L971 VanDerWaalsContact CG2-CD2 3.43Å; V956-L972 HydrophobicContact CB-CD1 4.32Å; V956-L972 HydrophobicContact CG1-CD1 3.52Å; V956-L972 HydrophobicContact CG1-CG 4.31Å; V956-L972 HydrophobicContact CG2-CD1 3.84Å; V956-L972 HydrophobicContact CG2-CG 3.68Å; V956-L1000 HydrophobicContact CG1-CD1 3.74Å |
| 957 | E | 83.4 | Confident | 83.5 | Confident | 63 Ų | 63 | 53.7 Ų | 53.7 | 29% | 0.294 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -61.4 | -43.7 | 178.2 | -78.8 | -171 | 151 | 0 | 0 | 111.3 | I953 E954 Y959 K960 H961 A1033 | I953-E957 PolarHBondContact O-N 2.97Å; E954-E957 PolarHBondContact O-N 3.05Å; E957-Y959 PolarHBondContact O-N 3.49Å; E957-K960 CarbonylContact O-C 3.56Å; E957-K960 WeakPolarHBondContact O-CB 3.28Å; E957-K960 PolarHBondContact O-N 2.79Å; E957-K960 VanDerWaalsContact O-N 3.13Å; E957-H961 PolarHBondContact O-CD2 3.14Å; E957-H961 PolarHBondContact O-N 2.94Å; E957-A1033 VanDerWaalsContact OE1-CB 3.27Å; E957-A1033 WeakPolarHBondContact OE1-CB 3.31Å |
| 958 | L | 83.9 | Confident | 83.6 | Confident | 11 Ų | 11 | 50.2 Ų | 50.2 | 6% | 0.058 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -60.8 | -44.1 | 177.6 | -163.6 | 109.7 | 0 | 0 | 0 | 111.9 | W908 L939 S942 V943 F946 E954 A955 V956 K960 H961 A962 | W908-L958 HydrophobicContact CZ2-CD1 4.37Å; L939-L958 HydrophobicContact CD1-CD2 3.43Å; L939-L958 VanDerWaalsContact CD1-CD2 3.43Å; L939-L958 HydrophobicContact CD1-CG 4.04Å; L939-L958 HydrophobicContact CG-CD2 4.22Å; S942-L958 WeakPolarHBondContact OG-CD2 3.5Å; V943-L958 HydrophobicContact CG2-CB 4.49Å; V943-L958 HydrophobicContact CG2-CD2 3.4Å; V943-L958 VanDerWaalsContact CG2-CD2 3.4Å; F946-L958 HydrophobicContact CE2-CD1 4.13Å; E954-L958 WeakPolarHBondContact O-CB 3.47Å; E954-L958 PolarHBondContact O-N 3.45Å; A955-L958 PolarHBondContact O-N 3.47Å; V956-L958 VanDerWaalsContact C-N 3.33Å; V956-L958 PolarHBondContact O-N 3.29Å; L958-K960 VanDerWaalsContact C-N 3.34Å; L958-K960 PolarHBondContact O-N 2.77Å; L958-H961 PolarHBondContact O-N 3.49Å; L958-A962 WeakPolarHBondContact O-CB 3.36Å; L958-A962 PolarHBondContact O-N 2.96Å |
| 959 | Y | 86.1 | Confident | 83.9 | Confident | 33 Ų | 33 | 42.7 Ų | 42.7 | 13% | 0.129 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -62.9 | -39.6 | 173.7 | -85.8 | -43.6 | 0 | 0 | 0 | 112.8 | L939 V943 A955 V956 E957 A962 G963 R964 D967 L971 | L939-Y959 HydrophobicContact CD2-CD1 4.28Å; L939-Y959 HydrophobicContact CD2-CE1 4.38Å; V943-Y959 HydrophobicContact CB-CE1 4.39Å; V943-Y959 HydrophobicContact CB-CE2 4.09Å; V943-Y959 HydrophobicContact CG1-CD2 3.94Å; V943-Y959 HydrophobicContact CG1-CE1 4.36Å; V943-Y959 HydrophobicContact CG1-CE2 3.22Å; V943-Y959 VanDerWaalsContact CG1-CZ 3.46Å; V943-Y959 HydrophobicContact CG2-CD1 3.95Å; V943-Y959 HydrophobicContact CG2-CD2 4.06Å; V943-Y959 HydrophobicContact CG2-CE1 3.71Å; V943-Y959 HydrophobicContact CG2-CE2 3.87Å; V943-Y959 HydrophobicContact CG2-CG 4.1Å; A955-Y959 PolarHBondContact O-N 2.95Å; A955-Y959 VanDerWaalsContact O-N 3.09Å; V956-Y959 PolarHBondContact O-N 3.13Å; E957-Y959 PolarHBondContact O-N 3.49Å; Y959-A962 CarbonylContact O-C 3.54Å; Y959-A962 PolarHBondContact O-N 3Å; Y959-G963 PolarHBondContact O-N 2.94Å; Y959-G963 VanDerWaalsContact O-N 3.14Å; Y959-R964 HydrophobicContact CD1-CB 4.01Å; Y959-R964 PolarHBondContact O-N 3.18Å; Y959-D967 HydrophobicContact CD1-CB 4.32Å; Y959-D967 HydrophobicContact CD2-CB 4.11Å; Y959-D967 HydrophobicContact CE1-CB 4.3Å; Y959-D967 HydrophobicContact CE2-CB 4.05Å; Y959-D967 HydrophobicContact CG-CB 4.25Å; Y959-L971 HydrophobicContact CE2-CD1 4.15Å |
| 960 | K | 84.2 | Confident | 84.1 | Confident | 29 Ų | 29 | 40 Ų | 40 | 13% | 0.126 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -62.6 | -45.4 | 175.6 | -175.3 | -164.6 | 168 | -161.5 | 0 | 111.3 | V956 E957 L958 A962 G963 F965 L1000 S1029 | V956-K960 WeakPolarHBondContact O-CB 3.49Å; V956-K960 PolarHBondContact O-N 2.85Å; E957-K960 CarbonylContact O-C 3.56Å; E957-K960 WeakPolarHBondContact O-CB 3.28Å; E957-K960 PolarHBondContact O-N 2.79Å; E957-K960 VanDerWaalsContact O-N 3.13Å; L958-K960 VanDerWaalsContact C-N 3.34Å; L958-K960 PolarHBondContact O-N 2.77Å; K960-A962 VanDerWaalsContact C-N 3.27Å; K960-A962 PolarHBondContact O-N 2.92Å; K960-G963 PolarHBondContact O-N 2.77Å; K960-F965 HydrophobicContact CG-CD1 4Å; K960-F965 HydrophobicContact CG-CE1 3.75Å; K960-L1000 HydrophobicContact CB-CD2 4.36Å; K960-L1000 HydrophobicContact CD-CD2 4.39Å; K960-L1000 HydrophobicContact CG-CD2 4.18Å; K960-S1029 PolarHBondContact NZ-OG 2.86Å |
| 961 | H | 78.5 | Confident | 84.6 | Confident | 98 Ų | 98 | 38.4 Ų | 38.4 | 45% | 0.454 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -64.4 | -30.7 | 176.7 | -81.8 | -75.2 | 0 | 0 | 0 | 112.7 | E957 L958 G963 | E957-H961 PolarHBondContact O-CD2 3.14Å; E957-H961 PolarHBondContact O-N 2.94Å; L958-H961 PolarHBondContact O-N 3.49Å; H961-G963 VanDerWaalsContact C-N 3.28Å |
| 962 | A | 78.2 | Confident | 84.8 | Confident | 21 Ų | 21 | 32.6 Ų | 32.6 | 17% | 0.174 | 16% | 0.161 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80.7 | -2.5 | 171.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | W908 L939 L958 Y959 K960 | W908-A962 HydrophobicContact CB-CB 4.19Å; W908-A962 HydrophobicContact CG-CB 4.49Å; L939-A962 HydrophobicContact CD1-CB 3.5Å; L939-A962 HydrophobicContact CD2-CB 3.51Å; L939-A962 HydrophobicContact CG-CB 4.17Å; L958-A962 WeakPolarHBondContact O-CB 3.36Å; L958-A962 PolarHBondContact O-N 2.96Å; Y959-A962 CarbonylContact O-C 3.54Å; Y959-A962 PolarHBondContact O-N 3Å; K960-A962 VanDerWaalsContact C-N 3.27Å; K960-A962 PolarHBondContact O-N 2.92Å |
| 963 | G | 80.4 | Confident | 84.9 | Confident | 20 Ų | 20 | 33.3 Ų | 33.3 | 21% | 0.206 | 16% | 0.162 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 74.8 | 20.7 | -179.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | Y959 K960 H961 Q1007 | Y959-G963 PolarHBondContact O-N 2.94Å; Y959-G963 VanDerWaalsContact O-N 3.14Å; K960-G963 PolarHBondContact O-N 2.77Å; H961-G963 VanDerWaalsContact C-N 3.28Å; G963-Q1007 PolarHBondContact O-NE2 2.86Å; G963-Q1007 PolarHBondContact O-OE1 3Å |
| 964 | R | 84.1 | Confident | 85 | Confident | 85 Ų | 85 | 37.6 Ų | 37.6 | 32% | 0.321 | 18% | 0.18 | S | C | . | . | trans | -100.4 | 65.9 | 176.5 | -64.4 | -164.6 | -178.7 | -100.4 | -0.2 | 111.5 | D936 Y959 L966 D967 A968 | D936-R964 IonicContact OD1-CZ 3.48Å; D936-R964 IonicContact OD1-NE 3.49Å; D936-R964 IonicContact OD1-NH2 3.94Å; D936-R964 PolarHBondContact OD1-NH2 2.68Å; D936-R964 IonicContact OD2-NH2 3.97Å; D936-R964 PolarHBondContact OD2-NH2 3.37Å; Y959-R964 HydrophobicContact CD1-CB 4.01Å; Y959-R964 PolarHBondContact O-N 3.18Å; R964-L966 PolarHBondContact O-N 3.35Å; R964-D967 HydrophobicContact CB-CB 4.34Å; R964-D967 WeakPolarHBondContact CD-OD2 3.33Å; R964-D967 PolarHBondContact O-N 2.89Å; R964-A968 PolarHBondContact O-N 2.77Å | ||
| 965 | F | 86.1 | Confident | 85.2 | Confident | 30 Ų | 30 | 36.7 Ų | 36.7 | 13% | 0.132 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -65.4 | -33 | -172.3 | -53.1 | -63.8 | 0 | 0 | 0 | 114.5 | K960 A968 A969 L1000 Q1003 Q1007 | K960-F965 HydrophobicContact CG-CD1 4Å; K960-F965 HydrophobicContact CG-CE1 3.75Å; F965-A968 WeakPolarHBondContact O-CB 3.36Å; F965-A968 PolarHBondContact O-N 3.13Å; F965-A969 PolarHBondContact O-N 3.49Å; F965-L1000 HydrophobicContact CD1-CD2 4.28Å; F965-Q1003 HydrophobicContact CD1-CB 3.96Å; F965-Q1003 HydrophobicContact CD2-CB 4.07Å; F965-Q1003 HydrophobicContact CE1-CB 4.19Å; F965-Q1003 HydrophobicContact CE2-CB 4.3Å; F965-Q1003 HydrophobicContact CG-CB 3.92Å; F965-Q1003 HydrophobicContact CZ-CB 4.36Å; F965-Q1007 HydrophobicContact CD2-CB 4.3Å; F965-Q1007 HydrophobicContact CE2-CB 4.14Å; F965-Q1007 HydrophobicContact CE2-CG 4.33Å |
| 966 | L | 86.7 | Confident | 85.2 | Confident | 46 Ų | 46 | 36.7 Ų | 36.7 | 24% | 0.241 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -66.2 | -43.6 | 178.4 | -170 | 117 | 0 | 0 | 0 | 111.8 | R964 A968 A969 E970 Y1004 | R964-L966 PolarHBondContact O-N 3.35Å; L966-A968 VanDerWaalsContact C-N 3.31Å; L966-A968 PolarHBondContact O-N 2.93Å; L966-A969 PolarHBondContact O-N 3.08Å; L966-E970 PolarHBondContact O-N 3.13Å; L966-Y1004 HydrophobicContact CB-CD2 3.84Å; L966-Y1004 HydrophobicContact CB-CE2 3.87Å; L966-Y1004 HydrophobicContact CB-CG 4.34Å; L966-Y1004 HydrophobicContact CD1-CD1 4.01Å; L966-Y1004 HydrophobicContact CD1-CD2 4.24Å; L966-Y1004 HydrophobicContact CD1-CE1 3.58Å; L966-Y1004 HydrophobicContact CD1-CE2 3.83Å; L966-Y1004 HydrophobicContact CD1-CG 4.3Å; L966-Y1004 VanDerWaalsContact CD1-CZ 3.46Å; L966-Y1004 HydrophobicContact CG-CE2 4.46Å |
| 967 | D | 86.4 | Confident | 85.1 | Confident | 53 Ų | 53 | 39.6 Ų | 39.6 | 28% | 0.283 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -64.2 | -39.4 | 177.4 | -62.7 | -28.1 | 0 | 0 | 0 | 110.8 | Y959 R964 E970 L971 | Y959-D967 HydrophobicContact CD1-CB 4.32Å; Y959-D967 HydrophobicContact CD2-CB 4.11Å; Y959-D967 HydrophobicContact CE1-CB 4.3Å; Y959-D967 HydrophobicContact CE2-CB 4.05Å; Y959-D967 HydrophobicContact CG-CB 4.25Å; R964-D967 HydrophobicContact CB-CB 4.34Å; R964-D967 WeakPolarHBondContact CD-OD2 3.33Å; R964-D967 PolarHBondContact O-N 2.89Å; D967-E970 PolarHBondContact O-N 2.8Å; D967-L971 WeakPolarHBondContact O-CB 3.33Å; D967-L971 PolarHBondContact O-N 3.24Å; D967-L971 VanDerWaalsContact O-N 3.09Å |
| 968 | A | 87.7 | Confident | 85 | Confident | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -61.9 | -44.2 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | V956 R964 F965 L966 L971 L972 L1000 | V956-A968 HydrophobicContact CG1-CB 3.94Å; R964-A968 PolarHBondContact O-N 2.77Å; F965-A968 WeakPolarHBondContact O-CB 3.36Å; F965-A968 PolarHBondContact O-N 3.13Å; L966-A968 VanDerWaalsContact C-N 3.31Å; L966-A968 PolarHBondContact O-N 2.93Å; A968-L971 PolarHBondContact O-N 3.1Å; A968-L972 PolarHBondContact O-N 2.94Å; A968-L972 VanDerWaalsContact O-N 3.15Å; A968-L1000 HydrophobicContact CB-CD1 3.93Å; A968-L1000 HydrophobicContact CB-CD2 4.1Å |
| 969 | A | 88.3 | Confident | 84.9 | Confident | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -67.4 | -41.4 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | F965 L966 L971 L972 Y973 L1000 M1001 | F965-A969 PolarHBondContact O-N 3.49Å; L966-A969 PolarHBondContact O-N 3.08Å; A969-L971 VanDerWaalsContact C-N 3.32Å; A969-L971 PolarHBondContact O-N 3.4Å; A969-L972 PolarHBondContact O-N 3.16Å; A969-Y973 WeakPolarHBondContact O-CB 3.3Å; A969-Y973 PolarHBondContact O-N 2.95Å; A969-L1000 HydrophobicContact CB-CB 3.99Å; A969-L1000 HydrophobicContact CB-CD1 4.47Å; A969-M1001 HydrophobicContact CB-CG 4.05Å; A969-M1001 HydrophobicContact CB-SD 3.76Å |
| 970 | E | 87.2 | Confident | 84.4 | Confident | 50 Ų | 50 | 44.4 Ų | 44.4 | 23% | 0.234 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -61.7 | -41.6 | 176.9 | -170.2 | -174.2 | 160.7 | 0 | 0 | 111.4 | L966 D967 Y973 K974 M1080 | L966-E970 PolarHBondContact O-N 3.13Å; D967-E970 PolarHBondContact O-N 2.8Å; E970-Y973 PolarHBondContact O-N 2.94Å; E970-K974 WeakPolarHBondContact O-CG 3.25Å; E970-K974 PolarHBondContact O-N 3.43Å; E970-K974 WeakPolarHBondContact OE1-CE 3.36Å; E970-K974 IonicContact OE1-NZ 3.24Å; E970-K974 PolarHBondContact OE1-NZ 3.39Å; E970-M1080 HydrophobicContact CB-CE 3.93Å; E970-M1080 HydrophobicContact CG-CE 3.54Å; E970-M1080 HydrophobicContact CG-SD 4.08Å; E970-M1080 WeakPolarHBondContact OE2-CE 3.39Å |
| 971 | L | 88.2 | Confident | 83.8 | Confident | 23 Ų | 23 | 51 Ų | 51 | 12% | 0.12 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -66.7 | -45.1 | -179.2 | -173.4 | 142.3 | 0 | 0 | 0 | 112 | V943 I947 I952 A955 V956 Y959 D967 A968 A969 Y973 K974 E975 | V943-L971 HydrophobicContact CG1-CD1 4.24Å; I947-L971 HydrophobicContact CD1-CD1 3.41Å; I947-L971 VanDerWaalsContact CD1-CD1 3.41Å; I947-L971 HydrophobicContact CG1-CD1 3.77Å; I952-L971 HydrophobicContact CB-CD2 4.38Å; I952-L971 HydrophobicContact CG2-CD2 3.35Å; I952-L971 HydrophobicContact CG2-CG 4.4Å; A955-L971 HydrophobicContact CB-CD1 4.37Å; A955-L971 HydrophobicContact CB-CD2 4.29Å; V956-L971 HydrophobicContact CG2-CD2 3.43Å; V956-L971 VanDerWaalsContact CG2-CD2 3.43Å; Y959-L971 HydrophobicContact CE2-CD1 4.15Å; D967-L971 WeakPolarHBondContact O-CB 3.33Å; D967-L971 PolarHBondContact O-N 3.24Å; D967-L971 VanDerWaalsContact O-N 3.09Å; A968-L971 PolarHBondContact O-N 3.1Å; A969-L971 VanDerWaalsContact C-N 3.32Å; A969-L971 PolarHBondContact O-N 3.4Å; L971-Y973 VanDerWaalsContact C-N 3.33Å; L971-Y973 PolarHBondContact O-N 2.66Å; L971-K974 PolarHBondContact O-N 3.31Å; L971-E975 PolarHBondContact O-N 2.78Å |
| 972 | L | 87.7 | Confident | 83.3 | Confident | 3 Ų | 3 | 49.7 Ų | 49.7 | 2% | 0.016 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -59.4 | -43.1 | 172.4 | -103.4 | 156.4 | 0 | 0 | 0 | 112.3 | V956 A968 A969 E975 V976 M993 L996 I997 L1000 | V956-L972 HydrophobicContact CB-CD1 4.32Å; V956-L972 HydrophobicContact CG1-CD1 3.52Å; V956-L972 HydrophobicContact CG1-CG 4.31Å; V956-L972 HydrophobicContact CG2-CD1 3.84Å; V956-L972 HydrophobicContact CG2-CG 3.68Å; A968-L972 PolarHBondContact O-N 2.94Å; A968-L972 VanDerWaalsContact O-N 3.15Å; A969-L972 PolarHBondContact O-N 3.16Å; L972-E975 PolarHBondContact O-N 2.99Å; L972-V976 WeakPolarHBondContact O-CG2 3.42Å; L972-V976 PolarHBondContact O-N 3.22Å; L972-M993 HydrophobicContact CD2-CB 4.46Å; L972-M993 HydrophobicContact CD2-CE 3.78Å; L972-M993 HydrophobicContact CD2-SD 3.58Å; L972-M993 VanDerWaalsContact CD2-SD 3.58Å; L972-L996 HydrophobicContact CD1-CB 4.08Å; L972-L996 HydrophobicContact CD1-CD2 4.15Å; L972-I997 HydrophobicContact CB-CD1 4Å; L972-I997 HydrophobicContact CB-CG1 3.56Å; L972-I997 HydrophobicContact CD1-CG1 4.39Å; L972-I997 HydrophobicContact CG-CG1 4.41Å; L972-L1000 HydrophobicContact CD1-CD1 3.54Å |
| 973 | Y | 88.3 | Confident | 82.2 | Confident | 39 Ų | 39 | 54.3 Ų | 54.3 | 15% | 0.153 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -67.6 | -38.9 | -178.3 | -172.3 | -92 | 0 | 0 | 0 | 112.7 | A969 E970 L971 E975 V976 Q977 Y994 I997 V1079 L1083 | A969-Y973 WeakPolarHBondContact O-CB 3.3Å; A969-Y973 PolarHBondContact O-N 2.95Å; E970-Y973 PolarHBondContact O-N 2.94Å; L971-Y973 VanDerWaalsContact C-N 3.33Å; L971-Y973 PolarHBondContact O-N 2.66Å; Y973-E975 PolarHBondContact O-N 2.78Å; Y973-V976 PolarHBondContact O-N 2.96Å; Y973-Q977 HydrophobicContact CD1-CG 4.06Å; Y973-Q977 HydrophobicContact CE1-CG 3.81Å; Y973-Q977 VanDerWaalsContact CZ-NE2 3.28Å; Y973-Q977 WeakPolarHBondContact O-CG 3.35Å; Y973-Q977 PolarHBondContact O-N 3.06Å; Y973-Q977 PolarHBondContact OH-NE2 2.68Å; Y973-Q977 VanDerWaalsContact OH-NE2 3.14Å; Y973-Y994 HydrophobicContact CD2-CE1 4.26Å; Y973-Y994 HydrophobicContact CE2-CE1 4.04Å; Y973-I997 HydrophobicContact CD2-CD1 4.07Å; Y973-I997 HydrophobicContact CG-CD1 4.47Å; Y973-V1079 HydrophobicContact CD1-CG1 4.32Å; Y973-V1079 HydrophobicContact CE1-CG1 3.39Å; Y973-L1083 VanDerWaalsContact CB-CD1 3.46Å; Y973-L1083 HydrophobicContact CD1-CD1 3.48Å; Y973-L1083 VanDerWaalsContact CD1-CD1 3.48Å; Y973-L1083 HydrophobicContact CD2-CD1 3.23Å; Y973-L1083 HydrophobicContact CD2-CG 3.69Å; Y973-L1083 HydrophobicContact CE1-CD1 3.93Å; Y973-L1083 HydrophobicContact CE2-CD1 3.7Å; Y973-L1083 HydrophobicContact CE2-CG 3.91Å; Y973-L1083 HydrophobicContact CG-CD1 3.09Å; Y973-L1083 HydrophobicContact CG-CG 4.07Å |
| 974 | K | 86.4 | Confident | 81.4 | Confident | 118 Ų | 118 | 61.2 Ų | 61.2 | 51% | 0.513 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -57.3 | -40.7 | 171.3 | -77.5 | 173.9 | -175.1 | 158.6 | 0 | 111.3 | E970 L971 Q977 K978 | E970-K974 WeakPolarHBondContact O-CG 3.25Å; E970-K974 PolarHBondContact O-N 3.43Å; E970-K974 WeakPolarHBondContact OE1-CE 3.36Å; E970-K974 IonicContact OE1-NZ 3.24Å; E970-K974 PolarHBondContact OE1-NZ 3.39Å; L971-K974 PolarHBondContact O-N 3.31Å; K974-Q977 PolarHBondContact O-N 2.96Å; K974-K978 PolarHBondContact O-N 2.86Å |
| 975 | E | 85.3 | Confident | 80.8 | Confident | 42 Ų | 42 | 63.1 Ų | 63.1 | 20% | 0.196 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -69.5 | -38.1 | 178.6 | -168.5 | 58 | -168.8 | 0 | 0 | 112.6 | I952 L971 L972 Y973 Q977 K978 I979 | I952-E975 HydrophobicContact CD1-CB 4.14Å; I952-E975 HydrophobicContact CD1-CG 3.65Å; I952-E975 WeakPolarHBondContact CD1-OE2 3.15Å; I952-E975 HydrophobicContact CG2-CB 3.98Å; I952-E975 HydrophobicContact CG2-CG 4.09Å; L971-E975 PolarHBondContact O-N 2.78Å; L972-E975 PolarHBondContact O-N 2.99Å; Y973-E975 PolarHBondContact O-N 2.78Å; E975-Q977 VanDerWaalsContact C-N 3.29Å; E975-Q977 PolarHBondContact O-N 2.96Å; E975-K978 WeakPolarHBondContact O-CB 3.18Å; E975-K978 PolarHBondContact O-N 3.45Å; E975-K978 VanDerWaalsContact O-N 3.14Å; E975-K978 WeakPolarHBondContact OE2-CD 3.48Å; E975-I979 HydrophobicContact CG-CD1 3.99Å; E975-I979 HydrophobicContact CG-CG1 4.49Å; E975-I979 VanDerWaalsContact O-CG1 3.3Å; E975-I979 WeakPolarHBondContact O-CG1 3.4Å; E975-I979 PolarHBondContact O-N 3.2Å |
| 976 | V | 85.9 | Confident | 80.4 | Confident | 0 Ų | 0 | 64.6 Ų | 64.6 | 0% | 0 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -60.8 | -38.4 | 172.6 | 173 | 0 | 0 | 0 | 0 | 111.9 | L972 Y973 I979 K980 M990 M993 Y994 I997 | L972-V976 WeakPolarHBondContact O-CG2 3.42Å; L972-V976 PolarHBondContact O-N 3.22Å; Y973-V976 PolarHBondContact O-N 2.96Å; V976-I979 PolarHBondContact O-N 3.47Å; V976-K980 PolarHBondContact O-N 2.57Å; V976-M990 HydrophobicContact CG1-CE 3.92Å; V976-M993 HydrophobicContact CG2-CB 3.51Å; V976-M993 HydrophobicContact CG2-CG 4.22Å; V976-Y994 HydrophobicContact CG1-CD2 4.28Å; V976-Y994 HydrophobicContact CG1-CE1 4.02Å; V976-Y994 HydrophobicContact CG1-CE2 3.48Å; V976-Y994 VanDerWaalsContact CG1-CE2 3.48Å; V976-Y994 VanDerWaalsContact CG1-OH 3.25Å; V976-Y994 WeakPolarHBondContact CG1-OH 3.27Å; V976-I997 HydrophobicContact CG2-CD1 4.05Å |
| 977 | Q | 83.5 | Confident | 80.2 | Confident | 67 Ų | 67 | 64.5 Ų | 64.5 | 31% | 0.313 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -67.3 | -36.6 | 174.9 | -65.9 | -64.1 | -16.2 | 0 | 0 | 112.2 | Y973 K974 E975 K980 | Y973-Q977 HydrophobicContact CD1-CG 4.06Å; Y973-Q977 HydrophobicContact CE1-CG 3.81Å; Y973-Q977 VanDerWaalsContact CZ-NE2 3.28Å; Y973-Q977 WeakPolarHBondContact O-CG 3.35Å; Y973-Q977 PolarHBondContact O-N 3.06Å; Y973-Q977 PolarHBondContact OH-NE2 2.68Å; Y973-Q977 VanDerWaalsContact OH-NE2 3.14Å; K974-Q977 PolarHBondContact O-N 2.96Å; E975-Q977 VanDerWaalsContact C-N 3.29Å; E975-Q977 PolarHBondContact O-N 2.96Å; Q977-K980 PolarHBondContact O-N 2.86Å |
| 978 | K | 82.3 | Confident | 80.2 | Confident | 135 Ų | 135 | 65.2 Ų | 65.2 | 59% | 0.587 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -67.6 | -41 | 175.6 | -157.7 | -177.3 | -177 | -174 | 0 | 111.8 | K974 E975 Q981 | K974-K978 PolarHBondContact O-N 2.86Å; E975-K978 WeakPolarHBondContact O-CB 3.18Å; E975-K978 PolarHBondContact O-N 3.45Å; E975-K978 VanDerWaalsContact O-N 3.14Å; E975-K978 WeakPolarHBondContact OE2-CD 3.48Å; K978-Q981 PolarHBondContact O-N 2.98Å |
| 979 | I | 81.3 | Confident | 80.2 | Confident | 9 Ų | 9 | 66.5 Ų | 66.5 | 5% | 0.046 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -67.5 | -35.8 | 177.1 | -66 | 161.1 | 0 | 0 | 0 | 111.5 | E975 V976 Q981 S982 R985 Y989 M990 M993 | E975-I979 HydrophobicContact CG-CD1 3.99Å; E975-I979 HydrophobicContact CG-CG1 4.49Å; E975-I979 VanDerWaalsContact O-CG1 3.3Å; E975-I979 WeakPolarHBondContact O-CG1 3.4Å; E975-I979 PolarHBondContact O-N 3.2Å; V976-I979 PolarHBondContact O-N 3.47Å; I979-Q981 PolarHBondContact O-N 2.8Å; I979-Q981 VanDerWaalsContact O-N 3.12Å; I979-S982 CarbonylContact O-C 3.58Å; I979-S982 PolarHBondContact O-N 2.87Å; I979-S982 VanDerWaalsContact O-O 3.06Å; I979-S982 PolarHBondContact O-OG 3.14Å; I979-R985 HydrophobicContact CG2-CB 4.01Å; I979-R985 HydrophobicContact CG2-CG 3.9Å; I979-Y989 HydrophobicContact CD1-CE1 3.85Å; I979-M990 HydrophobicContact CB-SD 4.27Å; I979-M990 HydrophobicContact CG2-CE 4.21Å; I979-M990 HydrophobicContact CG2-SD 3.63Å; I979-M993 HydrophobicContact CD1-CE 4.42Å |
| 980 | K | 75.9 | Confident | 80.1 | Confident | 64 Ų | 64 | 66.7 Ų | 66.7 | 28% | 0.278 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -56.7 | -28.4 | 174.8 | -92.9 | -174.1 | -178 | 175.5 | 0 | 113.7 | V976 Q977 M990 Y994 I1125 | V976-K980 PolarHBondContact O-N 2.57Å; Q977-K980 PolarHBondContact O-N 2.86Å; K980-M990 HydrophobicContact CG-CE 3.71Å; K980-Y994 PolarHBondContact NZ-OH 3.17Å; K980-I1125 WeakPolarHBondContact CE-O 3.38Å; K980-I1125 PolarHBondContact NZ-O 2.9Å |
| 981 | Q | 72.4 | Confident | 80.2 | Confident | 167 Ų | 167 | 66.8 Ų | 66.8 | 78% | 0.78 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -81.4 | -19.5 | 179.1 | -63.2 | 176.6 | -0.9 | 0 | 0 | 112.7 | K978 I979 | K978-Q981 PolarHBondContact O-N 2.98Å; I979-Q981 PolarHBondContact O-N 2.8Å; I979-Q981 VanDerWaalsContact O-N 3.12Å |
| 982 | S | 67 | Low | 80.2 | Confident | 72 Ų | 72 | 66.9 Ų | 66.9 | 50% | 0.503 | 34% | 0.337 | S | S | . | . | S | Bend | trans | -102.2 | 101.7 | 177.9 | 41.3 | 0 | 0 | 0 | 0 | 110.8 | I979 N984 | I979-S982 CarbonylContact O-C 3.58Å; I979-S982 PolarHBondContact O-N 2.87Å; I979-S982 VanDerWaalsContact O-O 3.06Å; I979-S982 PolarHBondContact O-OG 3.14Å; S982-N984 VanDerWaalsContact C-N 3.33Å; S982-N984 PolarHBondContact O-N 3.22Å |
| 983 | S | 55.1 | Low | 80.2 | Confident | 117 Ų | 117 | 66.8 Ų | 66.8 | 82% | 0.818 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.3 | 40.9 | -162.1 | -178 | 0 | 0 | 0 | 0 | 118.6 | ||
| 984 | N | 63.1 | Low | 80.3 | Confident | 165 Ų | 165 | 65.4 Ų | 65.4 | 88% | 0.882 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -155.5 | 20.8 | 179.3 | -124.5 | -3.9 | 0 | 0 | 0 | 120.2 | S982 | S982-N984 VanDerWaalsContact C-N 3.33Å; S982-N984 PolarHBondContact O-N 3.22Å |
| 985 | R | 70.9 | Confident | 80.4 | Confident | 126 Ų | 126 | 61.3 Ų | 61.3 | 48% | 0.475 | 32% | 0.317 | S | S | . | . | trans | -89.5 | 146.6 | 176.3 | -71.4 | -121.3 | -173.9 | 172.5 | 3 | 113.1 | I979 Y989 | I979-R985 HydrophobicContact CG2-CB 4.01Å; I979-R985 HydrophobicContact CG2-CG 3.9Å; R985-Y989 PolarHBondContact NH1-OH 3.42Å | ||
| 986 | S | 79.5 | Confident | 80.6 | Confident | 61 Ų | 61 | 60.1 Ų | 60.1 | 43% | 0.427 | 31% | 0.311 | S | S | . | . | trans | -61.9 | 143.2 | -177.8 | 71.2 | 0 | 0 | 0 | 0 | 112 | L988 Y989 M990 | S986-L988 PolarHBondContact O-N 2.87Å; S986-Y989 PolarHBondContact O-N 3.22Å; S986-Y989 VanDerWaalsContact O-N 3.13Å; S986-Y989 PolarHBondContact OG-N 2.98Å; S986-M990 PolarHBondContact O-N 3.33Å | ||
| 987 | P | 82 | Confident | 80.7 | Confident | 44 Ų | 44 | 60.1 Ų | 60.1 | 29% | 0.286 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -55.9 | -32.2 | 175.7 | -26.8 | 34.3 | 0 | 0 | 0 | 113.5 | M990 K991 Y1094 I1097 M1098 | P987-M990 PolarHBondContact O-N 2.89Å; P987-K991 PolarHBondContact O-N 3.01Å; P987-Y1094 HydrophobicContact CB-CD1 4.05Å; P987-I1097 HydrophobicContact CB-CG2 4.1Å; P987-I1097 HydrophobicContact CG-CG2 4.18Å; P987-M1098 HydrophobicContact CB-CG 3.86Å |
| 988 | L | 86.7 | Confident | 80.9 | Confident | 68 Ų | 68 | 57 Ų | 57 | 36% | 0.356 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -63.4 | -44.7 | 177.6 | 177.3 | 65.5 | 0 | 0 | 0 | 111.7 | S986 M990 K991 K992 M1098 | S986-L988 PolarHBondContact O-N 2.87Å; L988-M990 VanDerWaalsContact C-N 3.34Å; L988-M990 PolarHBondContact O-N 3.36Å; L988-K991 PolarHBondContact O-N 2.99Å; L988-K992 WeakPolarHBondContact O-CG 3.44Å; L988-K992 PolarHBondContact O-N 3.43Å; L988-M1098 HydrophobicContact CB-CE 3.96Å; L988-M1098 HydrophobicContact CB-SD 4.11Å; L988-M1098 HydrophobicContact CD1-CE 3.68Å; L988-M1098 HydrophobicContact CD1-SD 4.15Å; L988-M1098 HydrophobicContact CG-CE 4.36Å |
| 989 | Y | 86.3 | Confident | 81.2 | Confident | 26 Ų | 26 | 51.9 Ų | 51.9 | 10% | 0.102 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -61 | -45.4 | 178.2 | -176.2 | -91.1 | 0 | 0 | 0 | 111 | I979 R985 S986 K991 K992 M993 L1036 | I979-Y989 HydrophobicContact CD1-CE1 3.85Å; R985-Y989 PolarHBondContact NH1-OH 3.42Å; S986-Y989 PolarHBondContact O-N 3.22Å; S986-Y989 VanDerWaalsContact O-N 3.13Å; S986-Y989 PolarHBondContact OG-N 2.98Å; Y989-K991 VanDerWaalsContact C-N 3.34Å; Y989-K991 PolarHBondContact O-N 3Å; Y989-K992 PolarHBondContact O-N 2.99Å; Y989-M993 HydrophobicContact CD1-CG 4.08Å; Y989-M993 HydrophobicContact CE1-CE 3.87Å; Y989-M993 HydrophobicContact CE1-CG 3.71Å; Y989-M993 HydrophobicContact CE1-SD 4.16Å; Y989-M993 WeakPolarHBondContact O-CG 3.32Å; Y989-M993 PolarHBondContact O-N 3.48Å; Y989-M993 VanDerWaalsContact OH-CE 3.29Å; Y989-M993 WeakPolarHBondContact OH-CE 3.28Å; Y989-L1036 HydrophobicContact CD2-CD2 3.71Å; Y989-L1036 HydrophobicContact CE2-CD2 3.53Å |
| 990 | M | 87.3 | Confident | 81.6 | Confident | 4 Ų | 4 | 51.6 Ų | 51.6 | 2% | 0.02 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -61.8 | -41.7 | 177.2 | -65.7 | -62.5 | -89.7 | 0 | 0 | 111.8 | V976 I979 K980 S986 P987 L988 M993 Y994 Y1094 | V976-M990 HydrophobicContact CG1-CE 3.92Å; I979-M990 HydrophobicContact CB-SD 4.27Å; I979-M990 HydrophobicContact CG2-CE 4.21Å; I979-M990 HydrophobicContact CG2-SD 3.63Å; K980-M990 HydrophobicContact CG-CE 3.71Å; S986-M990 PolarHBondContact O-N 3.33Å; P987-M990 PolarHBondContact O-N 2.89Å; L988-M990 VanDerWaalsContact C-N 3.34Å; L988-M990 PolarHBondContact O-N 3.36Å; M990-M993 PolarHBondContact O-N 3.17Å; M990-Y994 VanDerWaalsContact O-CD2 3.28Å; M990-Y994 WeakPolarHBondContact O-CD2 3.37Å; M990-Y994 PolarHBondContact O-N 2.89Å; M990-Y994 VanDerWaalsContact O-N 3.13Å; M990-Y1094 HydrophobicContact CB-CD1 3.66Å; M990-Y1094 HydrophobicContact CB-CD2 3.87Å; M990-Y1094 HydrophobicContact CB-CE1 3.49Å; M990-Y1094 VanDerWaalsContact CB-CE1 3.49Å; M990-Y1094 HydrophobicContact CB-CE2 3.73Å; M990-Y1094 HydrophobicContact CB-CG 3.84Å; M990-Y1094 HydrophobicContact CE-CE2 4.36Å; M990-Y1094 WeakPolarHBondContact CE-OH 3.39Å; M990-Y1094 HydrophobicContact CG-CD1 4.4Å; M990-Y1094 HydrophobicContact CG-CE1 3.78Å; M990-Y1094 HydrophobicContact CG-CE2 4.37Å |
| 991 | K | 88.3 | Confident | 82.1 | Confident | 52 Ų | 52 | 48.8 Ų | 48.8 | 23% | 0.226 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -59.8 | -47 | 173.5 | -172.9 | 178 | 176.3 | -176.6 | 0 | 111.6 | P987 L988 Y989 M993 Y994 V995 H1095 M1098 | P987-K991 PolarHBondContact O-N 3.01Å; L988-K991 PolarHBondContact O-N 2.99Å; Y989-K991 VanDerWaalsContact C-N 3.34Å; Y989-K991 PolarHBondContact O-N 3Å; K991-M993 VanDerWaalsContact C-N 3.32Å; K991-M993 PolarHBondContact O-N 3.31Å; K991-Y994 PolarHBondContact O-N 3.04Å; K991-V995 HydrophobicContact CG-CG2 4.4Å; K991-V995 VanDerWaalsContact O-CG2 3.31Å; K991-V995 WeakPolarHBondContact O-CG2 3.4Å; K991-V995 PolarHBondContact O-N 3.23Å; K991-H1095 HydrophobicContact CD-CB 4.01Å; K991-H1095 PolarHBondContact NZ-ND1 3.42Å; K991-M1098 HydrophobicContact CB-SD 4.48Å; K991-M1098 HydrophobicContact CD-SD 4.14Å |
| 992 | K | 89.1 | Confident | 82.7 | Confident | 25 Ų | 25 | 44.9 Ų | 44.9 | 11% | 0.109 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -56.9 | -44.6 | 177.7 | -72.1 | 179.3 | -175.9 | 175.6 | 0 | 111.4 | L988 Y989 V995 L996 L1032 L1036 E1039 | L988-K992 WeakPolarHBondContact O-CG 3.44Å; L988-K992 PolarHBondContact O-N 3.43Å; Y989-K992 PolarHBondContact O-N 2.99Å; K992-V995 PolarHBondContact O-N 3.09Å; K992-L996 PolarHBondContact O-N 2.94Å; K992-L1032 HydrophobicContact CB-CD2 4.36Å; K992-L1036 HydrophobicContact CB-CD2 4.28Å; K992-L1036 HydrophobicContact CD-CD2 3.86Å; K992-L1036 HydrophobicContact CD-CG 4.2Å; K992-E1039 IonicContact NZ-OE1 2.8Å; K992-E1039 PolarHBondContact NZ-OE1 2.83Å; K992-E1039 IonicContact NZ-OE2 3.84Å; K992-E1039 PolarHBondContact NZ-OE2 3.4Å |
| 993 | M | 88.1 | Confident | 83.6 | Confident | 2 Ų | 2 | 42.2 Ų | 42.2 | 1% | 0.01 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -62.5 | -46.5 | 178.6 | -64.4 | -61.3 | -116 | 0 | 0 | 112.6 | L972 V976 I979 Y989 M990 K991 V995 L996 I997 | L972-M993 HydrophobicContact CD2-CB 4.46Å; L972-M993 HydrophobicContact CD2-CE 3.78Å; L972-M993 HydrophobicContact CD2-SD 3.58Å; L972-M993 VanDerWaalsContact CD2-SD 3.58Å; V976-M993 HydrophobicContact CG2-CB 3.51Å; V976-M993 HydrophobicContact CG2-CG 4.22Å; I979-M993 HydrophobicContact CD1-CE 4.42Å; Y989-M993 HydrophobicContact CD1-CG 4.08Å; Y989-M993 HydrophobicContact CE1-CE 3.87Å; Y989-M993 HydrophobicContact CE1-CG 3.71Å; Y989-M993 HydrophobicContact CE1-SD 4.16Å; Y989-M993 WeakPolarHBondContact O-CG 3.32Å; Y989-M993 PolarHBondContact O-N 3.48Å; Y989-M993 VanDerWaalsContact OH-CE 3.29Å; Y989-M993 WeakPolarHBondContact OH-CE 3.28Å; M990-M993 PolarHBondContact O-N 3.17Å; K991-M993 VanDerWaalsContact C-N 3.32Å; K991-M993 PolarHBondContact O-N 3.31Å; M993-V995 VanDerWaalsContact C-N 3.33Å; M993-V995 PolarHBondContact O-N 2.87Å; M993-L996 WeakPolarHBondContact O-CB 3.43Å; M993-L996 PolarHBondContact O-N 2.8Å; M993-I997 WeakPolarHBondContact O-CG1 3.4Å; M993-I997 PolarHBondContact O-N 2.92Å |
| 994 | Y | 89.1 | Confident | 85 | Confident | 9 Ų | 9 | 39.8 Ų | 39.8 | 4% | 0.035 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -66.7 | -33 | 177.2 | -79.4 | -71.1 | 0 | 0 | 0 | 113.1 | Y973 V976 K980 M990 K991 I997 G998 A1091 Y1094 | Y973-Y994 HydrophobicContact CD2-CE1 4.26Å; Y973-Y994 HydrophobicContact CE2-CE1 4.04Å; V976-Y994 HydrophobicContact CG1-CD2 4.28Å; V976-Y994 HydrophobicContact CG1-CE1 4.02Å; V976-Y994 HydrophobicContact CG1-CE2 3.48Å; V976-Y994 VanDerWaalsContact CG1-CE2 3.48Å; V976-Y994 VanDerWaalsContact CG1-OH 3.25Å; V976-Y994 WeakPolarHBondContact CG1-OH 3.27Å; K980-Y994 PolarHBondContact NZ-OH 3.17Å; M990-Y994 VanDerWaalsContact O-CD2 3.28Å; M990-Y994 WeakPolarHBondContact O-CD2 3.37Å; M990-Y994 PolarHBondContact O-N 2.89Å; M990-Y994 VanDerWaalsContact O-N 3.13Å; K991-Y994 PolarHBondContact O-N 3.04Å; Y994-I997 HydrophobicContact CD1-CD1 4.31Å; Y994-I997 PolarHBondContact O-N 2.79Å; Y994-G998 PolarHBondContact O-N 3Å; Y994-A1091 VanDerWaalsContact CB-N 3.3Å; Y994-Y1094 HydrophobicContact CD2-CD2 4.09Å; Y994-Y1094 HydrophobicContact CD2-CE2 4.31Å; Y994-Y1094 HydrophobicContact CE2-CD2 4.01Å; Y994-Y1094 AromaticContact CE2-CE2 3.79Å; Y994-Y1094 HydrophobicContact CE2-CE2 3.79Å |
| 995 | V | 89.9 | Confident | 86 | Confident | 33 Ų | 33 | 35.9 Ų | 35.9 | 20% | 0.2 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -64.1 | -43 | 172.7 | 168.6 | 0 | 0 | 0 | 0 | 110.8 | K991 K992 M993 I997 G998 L999 W1088 A1091 | K991-V995 HydrophobicContact CG-CG2 4.4Å; K991-V995 VanDerWaalsContact O-CG2 3.31Å; K991-V995 WeakPolarHBondContact O-CG2 3.4Å; K991-V995 PolarHBondContact O-N 3.23Å; K992-V995 PolarHBondContact O-N 3.09Å; M993-V995 VanDerWaalsContact C-N 3.33Å; M993-V995 PolarHBondContact O-N 2.87Å; V995-I997 VanDerWaalsContact C-N 3.33Å; V995-I997 PolarHBondContact O-N 2.89Å; V995-G998 PolarHBondContact O-N 3.1Å; V995-G998 VanDerWaalsContact O-N 3.16Å; V995-L999 HydrophobicContact CG1-CD1 4.09Å; V995-L999 HydrophobicContact CG1-CG 4.42Å; V995-L999 WeakPolarHBondContact O-CG 3.5Å; V995-L999 PolarHBondContact O-N 3.47Å; V995-W1088 HydrophobicContact CB-CZ3 4.42Å; V995-W1088 HydrophobicContact CG1-CZ3 4.11Å; V995-W1088 HydrophobicContact CG2-CZ3 4.35Å; V995-A1091 HydrophobicContact CG2-CB 3.7Å |
| 996 | L | 88.8 | Confident | 86.4 | Confident | 16 Ų | 16 | 35.2 Ų | 35.2 | 8% | 0.084 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -60.1 | -42.7 | 175.4 | -111.5 | 142.2 | 0 | 0 | 0 | 112.1 | L972 K992 M993 G998 L999 L1000 L1032 L1036 | L972-L996 HydrophobicContact CD1-CB 4.08Å; L972-L996 HydrophobicContact CD1-CD2 4.15Å; K992-L996 PolarHBondContact O-N 2.94Å; M993-L996 WeakPolarHBondContact O-CB 3.43Å; M993-L996 PolarHBondContact O-N 2.8Å; L996-G998 VanDerWaalsContact C-N 3.35Å; L996-L999 PolarHBondContact O-N 2.79Å; L996-L1000 WeakPolarHBondContact O-CG 3.46Å; L996-L1000 PolarHBondContact O-N 3Å; L996-L1032 HydrophobicContact CD1-CD2 4.08Å; L996-L1036 HydrophobicContact CD1-CD1 3.43Å; L996-L1036 VanDerWaalsContact CD1-CD1 3.43Å |
| 997 | I | 88.5 | Confident | 86.3 | Confident | 1 Ų | 1 | 35.2 Ų | 35.2 | 1% | 0.005 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -60.6 | -45.6 | 173.5 | -66.5 | 165 | 0 | 0 | 0 | 110.5 | L972 Y973 V976 M993 Y994 V995 L999 L1000 M1001 L1083 | L972-I997 HydrophobicContact CB-CD1 4Å; L972-I997 HydrophobicContact CB-CG1 3.56Å; L972-I997 HydrophobicContact CD1-CG1 4.39Å; L972-I997 HydrophobicContact CG-CG1 4.41Å; Y973-I997 HydrophobicContact CD2-CD1 4.07Å; Y973-I997 HydrophobicContact CG-CD1 4.47Å; V976-I997 HydrophobicContact CG2-CD1 4.05Å; M993-I997 WeakPolarHBondContact O-CG1 3.4Å; M993-I997 PolarHBondContact O-N 2.92Å; Y994-I997 HydrophobicContact CD1-CD1 4.31Å; Y994-I997 PolarHBondContact O-N 2.79Å; V995-I997 VanDerWaalsContact C-N 3.33Å; V995-I997 PolarHBondContact O-N 2.89Å; I997-L999 PolarHBondContact O-N 2.87Å; I997-L1000 PolarHBondContact O-N 3.18Å; I997-M1001 WeakPolarHBondContact O-CG 3.4Å; I997-M1001 PolarHBondContact O-N 3.21Å; I997-L1083 HydrophobicContact CG2-CD2 3.58Å; I997-L1083 HydrophobicContact CG2-CG 4.41Å |
| 998 | G | 87 | Confident | 85.9 | Confident | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -57.8 | -46.4 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | Y994 V995 L996 M1001 E1002 | Y994-G998 PolarHBondContact O-N 3Å; V995-G998 PolarHBondContact O-N 3.1Å; V995-G998 VanDerWaalsContact O-N 3.16Å; L996-G998 VanDerWaalsContact C-N 3.35Å; G998-M1001 PolarHBondContact O-N 2.99Å; G998-E1002 PolarHBondContact O-N 3.02Å |
| 999 | L | 89.5 | Confident | 85.2 | Confident | 29 Ų | 29 | 39.5 Ų | 39.5 | 15% | 0.152 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -66.1 | -40.3 | 178.3 | -69.8 | 172.8 | 0 | 0 | 0 | 112.9 | V995 L996 I997 M1001 E1002 Q1003 W1088 | V995-L999 HydrophobicContact CG1-CD1 4.09Å; V995-L999 HydrophobicContact CG1-CG 4.42Å; V995-L999 WeakPolarHBondContact O-CG 3.5Å; V995-L999 PolarHBondContact O-N 3.47Å; L996-L999 PolarHBondContact O-N 2.79Å; I997-L999 PolarHBondContact O-N 2.87Å; L999-M1001 VanDerWaalsContact C-N 3.31Å; L999-M1001 PolarHBondContact O-N 2.91Å; L999-E1002 PolarHBondContact O-N 3.34Å; L999-Q1003 WeakPolarHBondContact O-CG 3.28Å; L999-Q1003 PolarHBondContact O-N 2.81Å; L999-W1088 HydrophobicContact CD2-CH2 3.93Å; L999-W1088 HydrophobicContact CD2-CZ2 4.42Å; L999-W1088 HydrophobicContact CG-CH2 4.04Å |
| 1000 | L | 88.6 | Confident | 83.9 | Confident | 3 Ų | 3 | 44.7 Ų | 44.7 | 2% | 0.016 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -64.3 | -38.8 | 175.7 | -73.3 | 167.8 | 0 | 0 | 0 | 111.4 | V956 K960 F965 A968 A969 L972 L996 I997 Q1003 Y1004 | V956-L1000 HydrophobicContact CG1-CD1 3.74Å; K960-L1000 HydrophobicContact CB-CD2 4.36Å; K960-L1000 HydrophobicContact CD-CD2 4.39Å; K960-L1000 HydrophobicContact CG-CD2 4.18Å; F965-L1000 HydrophobicContact CD1-CD2 4.28Å; A968-L1000 HydrophobicContact CB-CD1 3.93Å; A968-L1000 HydrophobicContact CB-CD2 4.1Å; A969-L1000 HydrophobicContact CB-CB 3.99Å; A969-L1000 HydrophobicContact CB-CD1 4.47Å; L972-L1000 HydrophobicContact CD1-CD1 3.54Å; L996-L1000 WeakPolarHBondContact O-CG 3.46Å; L996-L1000 PolarHBondContact O-N 3Å; I997-L1000 PolarHBondContact O-N 3.18Å; L1000-Q1003 PolarHBondContact O-N 3.1Å; L1000-Y1004 WeakPolarHBondContact O-CB 3.36Å; L1000-Y1004 PolarHBondContact O-N 3.18Å |
| 1001 | M | 86.7 | Confident | 82.4 | Confident | 4 Ų | 4 | 51.1 Ų | 51.1 | 2% | 0.02 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -68.1 | -36.6 | 175.1 | -69.6 | -59.3 | -67.3 | 0 | 0 | 112.1 | A969 I997 G998 L999 Y1004 Y1005 L1083 I1084 P1087 | A969-M1001 HydrophobicContact CB-CG 4.05Å; A969-M1001 HydrophobicContact CB-SD 3.76Å; I997-M1001 WeakPolarHBondContact O-CG 3.4Å; I997-M1001 PolarHBondContact O-N 3.21Å; G998-M1001 PolarHBondContact O-N 2.99Å; L999-M1001 VanDerWaalsContact C-N 3.31Å; L999-M1001 PolarHBondContact O-N 2.91Å; M1001-Y1004 HydrophobicContact CE-CD1 4.33Å; M1001-Y1004 WeakPolarHBondContact O-CB 3.42Å; M1001-Y1004 PolarHBondContact O-N 2.86Å; M1001-Y1005 HydrophobicContact CB-CE2 4.35Å; M1001-Y1005 WeakPolarHBondContact O-CD2 3.29Å; M1001-Y1005 VanDerWaalsContact O-CG 3.31Å; M1001-Y1005 PolarHBondContact O-N 3.4Å; M1001-L1083 HydrophobicContact CG-CD2 4.15Å; M1001-L1083 HydrophobicContact SD-CD2 4.38Å; M1001-I1084 HydrophobicContact CE-CB 4.49Å; M1001-I1084 HydrophobicContact CE-CG1 3.96Å; M1001-P1087 HydrophobicContact CB-CB 4.13Å; M1001-P1087 HydrophobicContact CG-CB 4.31Å |
| 1002 | E | 85.7 | Confident | 80.7 | Confident | 86 Ų | 86 | 52.4 Ų | 52.4 | 40% | 0.402 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -62.3 | -43.6 | 170.7 | -79.5 | -175.2 | 169.9 | 0 | 0 | 112.3 | G998 L999 Y1004 Y1005 E1006 W1088 | G998-E1002 PolarHBondContact O-N 3.02Å; L999-E1002 PolarHBondContact O-N 3.34Å; E1002-Y1004 VanDerWaalsContact C-N 3.32Å; E1002-Y1004 PolarHBondContact O-N 2.94Å; E1002-Y1005 CarbonylContact O-C 3.54Å; E1002-Y1005 PolarHBondContact O-N 3.41Å; E1002-Y1005 VanDerWaalsContact O-N 3.13Å; E1002-E1006 PolarHBondContact O-N 3.44Å; E1002-W1088 HydrophobicContact CG-CZ2 4.34Å; E1002-W1088 WeakPolarHBondContact OE1-CZ2 3.28Å; E1002-W1088 PolarHBondContact OE1-NE1 2.77Å |
| 1003 | Q | 85.4 | Confident | 78.3 | Confident | 16 Ų | 16 | 57.4 Ų | 57.4 | 8% | 0.075 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -62.7 | -39.1 | 175 | -73.1 | -178.1 | -10.7 | 0 | 0 | 112.1 | F965 L999 L1000 E1006 Q1007 | F965-Q1003 HydrophobicContact CD1-CB 3.96Å; F965-Q1003 HydrophobicContact CD2-CB 4.07Å; F965-Q1003 HydrophobicContact CE1-CB 4.19Å; F965-Q1003 HydrophobicContact CE2-CB 4.3Å; F965-Q1003 HydrophobicContact CG-CB 3.92Å; F965-Q1003 HydrophobicContact CZ-CB 4.36Å; L999-Q1003 WeakPolarHBondContact O-CG 3.28Å; L999-Q1003 PolarHBondContact O-N 2.81Å; L1000-Q1003 PolarHBondContact O-N 3.1Å; Q1003-E1006 PolarHBondContact O-N 3.22Å; Q1003-Q1007 WeakPolarHBondContact O-CB 3.45Å; Q1003-Q1007 PolarHBondContact O-N 3.05Å |
| 1004 | Y | 85.2 | Confident | 76 | Confident | 65 Ų | 65 | 63.6 Ų | 63.6 | 26% | 0.255 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -60.5 | -45.5 | 171.4 | 175.4 | -107.9 | 0 | 0 | 0 | 111.7 | L966 L1000 M1001 E1002 E1006 Q1007 N1008 | L966-Y1004 HydrophobicContact CB-CD2 3.84Å; L966-Y1004 HydrophobicContact CB-CE2 3.87Å; L966-Y1004 HydrophobicContact CB-CG 4.34Å; L966-Y1004 HydrophobicContact CD1-CD1 4.01Å; L966-Y1004 HydrophobicContact CD1-CD2 4.24Å; L966-Y1004 HydrophobicContact CD1-CE1 3.58Å; L966-Y1004 HydrophobicContact CD1-CE2 3.83Å; L966-Y1004 HydrophobicContact CD1-CG 4.3Å; L966-Y1004 VanDerWaalsContact CD1-CZ 3.46Å; L966-Y1004 HydrophobicContact CG-CE2 4.46Å; L1000-Y1004 WeakPolarHBondContact O-CB 3.36Å; L1000-Y1004 PolarHBondContact O-N 3.18Å; M1001-Y1004 HydrophobicContact CE-CD1 4.33Å; M1001-Y1004 WeakPolarHBondContact O-CB 3.42Å; M1001-Y1004 PolarHBondContact O-N 2.86Å; E1002-Y1004 VanDerWaalsContact C-N 3.32Å; E1002-Y1004 PolarHBondContact O-N 2.94Å; Y1004-E1006 PolarHBondContact O-N 3.49Å; Y1004-Q1007 PolarHBondContact O-N 3.31Å; Y1004-N1008 VanDerWaalsContact CE1-ND2 3.28Å; Y1004-N1008 WeakPolarHBondContact CE1-ND2 3.5Å; Y1004-N1008 VanDerWaalsContact CE2-ND2 3.29Å; Y1004-N1008 WeakPolarHBondContact CE2-ND2 3.36Å; Y1004-N1008 WeakPolarHBondContact O-CB 3.39Å; Y1004-N1008 PolarHBondContact O-N 2.91Å; Y1004-N1008 PolarHBondContact OH-ND2 2.79Å; Y1004-N1008 VanDerWaalsContact OH-ND2 3.13Å |
| 1005 | Y | 82.7 | Confident | 73.2 | Confident | 83 Ų | 83 | 72 Ų | 72 | 33% | 0.325 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -65.5 | -36.5 | 176.9 | -69.1 | -46.8 | 0 | 0 | 0 | 112.8 | M1001 E1002 K1009 I1084 | M1001-Y1005 HydrophobicContact CB-CE2 4.35Å; M1001-Y1005 WeakPolarHBondContact O-CD2 3.29Å; M1001-Y1005 VanDerWaalsContact O-CG 3.31Å; M1001-Y1005 PolarHBondContact O-N 3.4Å; E1002-Y1005 CarbonylContact O-C 3.54Å; E1002-Y1005 PolarHBondContact O-N 3.41Å; E1002-Y1005 VanDerWaalsContact O-N 3.13Å; Y1005-K1009 VanDerWaalsContact O-CB 3.28Å; Y1005-K1009 WeakPolarHBondContact O-CB 3.36Å; Y1005-K1009 VanDerWaalsContact O-CG 3.29Å; Y1005-K1009 WeakPolarHBondContact O-CG 3.35Å; Y1005-K1009 PolarHBondContact O-N 3.09Å; Y1005-I1084 WeakPolarHBondContact OH-CG2 3.27Å; Y1005-I1084 PolarHBondContact OH-O 3.35Å |
| 1006 | E | 80.6 | Confident | 70.7 | Confident | 112 Ų | 112 | 76.6 Ų | 76.6 | 52% | 0.523 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -68.5 | -44.8 | 174.2 | -76.2 | -171.4 | 162.5 | 0 | 0 | 112.3 | E1002 Q1003 Y1004 N1008 K1009 L1010 | E1002-E1006 PolarHBondContact O-N 3.44Å; Q1003-E1006 PolarHBondContact O-N 3.22Å; Y1004-E1006 PolarHBondContact O-N 3.49Å; E1006-N1008 VanDerWaalsContact C-N 3.29Å; E1006-N1008 PolarHBondContact O-N 3.42Å; E1006-K1009 PolarHBondContact O-N 3.07Å; E1006-L1010 WeakPolarHBondContact O-CB 3.28Å; E1006-L1010 WeakPolarHBondContact O-CG 3.12Å; E1006-L1010 PolarHBondContact O-N 2.89Å |
| 1007 | Q | 77.1 | Confident | 67.9 | Low | 62 Ų | 62 | 87.6 Ų | 87.6 | 29% | 0.29 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -60.4 | -42 | 176.4 | -167.9 | -176.3 | 19.2 | 0 | 0 | 110.8 | G963 F965 Q1003 Y1004 L1010 Q1011 | G963-Q1007 PolarHBondContact O-NE2 2.86Å; G963-Q1007 PolarHBondContact O-OE1 3Å; F965-Q1007 HydrophobicContact CD2-CB 4.3Å; F965-Q1007 HydrophobicContact CE2-CB 4.14Å; F965-Q1007 HydrophobicContact CE2-CG 4.33Å; Q1003-Q1007 WeakPolarHBondContact O-CB 3.45Å; Q1003-Q1007 PolarHBondContact O-N 3.05Å; Y1004-Q1007 PolarHBondContact O-N 3.31Å; Q1007-L1010 PolarHBondContact O-N 2.82Å; Q1007-Q1011 WeakPolarHBondContact O-CG 3.23Å; Q1007-Q1011 PolarHBondContact O-N 2.69Å |
| 1008 | N | 74.2 | Confident | 65.2 | Low | 55 Ų | 55 | 94.4 Ų | 94.4 | 29% | 0.294 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -71.6 | -34 | 175.2 | -75.7 | -10.1 | 0 | 0 | 0 | 112.9 | Y1004 E1006 L1010 Q1011 A1012 | Y1004-N1008 VanDerWaalsContact CE1-ND2 3.28Å; Y1004-N1008 WeakPolarHBondContact CE1-ND2 3.5Å; Y1004-N1008 VanDerWaalsContact CE2-ND2 3.29Å; Y1004-N1008 WeakPolarHBondContact CE2-ND2 3.36Å; Y1004-N1008 WeakPolarHBondContact O-CB 3.39Å; Y1004-N1008 PolarHBondContact O-N 2.91Å; Y1004-N1008 PolarHBondContact OH-ND2 2.79Å; Y1004-N1008 VanDerWaalsContact OH-ND2 3.13Å; E1006-N1008 VanDerWaalsContact C-N 3.29Å; E1006-N1008 PolarHBondContact O-N 3.42Å; N1008-L1010 VanDerWaalsContact C-N 3.34Å; N1008-Q1011 PolarHBondContact O-N 3.34Å; N1008-A1012 WeakPolarHBondContact O-CB 3.39Å; N1008-A1012 PolarHBondContact O-N 2.92Å |
| 1009 | K | 70.8 | Confident | 62.9 | Low | 146 Ų | 146 | 100.8 Ų | 100.8 | 64% | 0.635 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -65.2 | -37.8 | 171.5 | -85 | 176.7 | -179.4 | 174.2 | 0 | 111.7 | Y1005 E1006 Q1011 A1012 N1013 | Y1005-K1009 VanDerWaalsContact O-CB 3.28Å; Y1005-K1009 WeakPolarHBondContact O-CB 3.36Å; Y1005-K1009 VanDerWaalsContact O-CG 3.29Å; Y1005-K1009 WeakPolarHBondContact O-CG 3.35Å; Y1005-K1009 PolarHBondContact O-N 3.09Å; E1006-K1009 PolarHBondContact O-N 3.07Å; K1009-Q1011 VanDerWaalsContact C-N 3.29Å; K1009-A1012 PolarHBondContact O-N 3.22Å; K1009-N1013 PolarHBondContact O-N 2.87Å |
| 1010 | L | 59.4 | Low | 60.5 | Low | 136 Ų | 136 | 104.2 Ų | 104.2 | 71% | 0.712 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -67.7 | -30.6 | 174.6 | -74.6 | 163 | 0 | 0 | 0 | 111.8 | E1006 Q1007 N1008 | E1006-L1010 WeakPolarHBondContact O-CB 3.28Å; E1006-L1010 WeakPolarHBondContact O-CG 3.12Å; E1006-L1010 PolarHBondContact O-N 2.89Å; Q1007-L1010 PolarHBondContact O-N 2.82Å; N1008-L1010 VanDerWaalsContact C-N 3.34Å |
| 1011 | Q | 55.8 | Low | 57.8 | Low | 139 Ų | 139 | 110 Ų | 110 | 65% | 0.65 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -76.1 | -31 | 170.7 | -70.9 | -178.1 | 5.5 | 0 | 0 | 113 | Q1007 N1008 K1009 | Q1007-Q1011 WeakPolarHBondContact O-CG 3.23Å; Q1007-Q1011 PolarHBondContact O-N 2.69Å; N1008-Q1011 PolarHBondContact O-N 3.34Å; K1009-Q1011 VanDerWaalsContact C-N 3.29Å |
| 1012 | A | 53 | Low | 55.4 | Low | 79 Ų | 79 | 112 Ų | 112 | 65% | 0.653 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -86.1 | -27.9 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | N1008 K1009 | N1008-A1012 WeakPolarHBondContact O-CB 3.39Å; N1008-A1012 PolarHBondContact O-N 2.92Å; K1009-A1012 PolarHBondContact O-N 3.22Å |
| 1013 | N | 38.3 | Very low | 53.1 | Low | 130 Ų | 130 | 115.8 Ų | 115.8 | 70% | 0.695 | 62% | 0.621 | S | S | * | * | trans | -114.7 | 81.9 | 176.8 | -86.5 | -29.5 | 0 | 0 | 0 | 110.6 | K1009 K1015 | K1009-N1013 PolarHBondContact O-N 2.87Å; N1013-K1015 VanDerWaalsContact C-N 3.26Å; N1013-K1015 PolarHBondContact O-N 3.17Å | ||
| 1014 | V | 38.8 | Very low | 50.9 | Low | 131 Ų | 131 | 117.8 Ų | 117.8 | 79% | 0.794 | 65% | 0.646 | S | S | * | * | trans | -72.4 | 85.3 | 163.6 | -176.9 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 1015 | K | 31.7 | Very low | 48.8 | Very low | 187 Ų | 187 | 117.6 Ų | 117.6 | 81% | 0.813 | 65% | 0.652 | S | S | * | * | trans | -157.6 | 121.3 | 148.1 | -105 | 177.4 | -168.8 | -178 | 0 | 108.8 | N1013 | N1013-K1015 VanDerWaalsContact C-N 3.26Å; N1013-K1015 PolarHBondContact O-N 3.17Å | ||
| 1016 | P | 36.1 | Very low | 46.9 | Very low | 129 Ų | 129 | 118.4 Ų | 118.4 | 84% | 0.838 | 66% | 0.661 | S | S | * | * | trans | -77 | 131.3 | -169 | 30.6 | -33.1 | 0 | 0 | 0 | 111.2 | ||||
| 1017 | R | 29.9 | Very low | 45.1 | Very low | 246 Ų | 246 | 119.4 Ų | 119.4 | 93% | 0.928 | 67% | 0.667 | S | S | * | * | trans | -131.3 | 117.2 | 158.6 | -88.8 | -174.8 | 170.8 | 177.6 | -2.7 | 108.8 | ||||
| 1018 | N | 32.8 | Very low | 43.5 | Very low | 145 Ų | 145 | 118.8 Ų | 118.8 | 78% | 0.775 | 67% | 0.673 | S | S | * | * | trans | 34.5 | 117.4 | 164.2 | -80.8 | -2.5 | 0 | 0 | 0 | 119.9 | A1020 | N1018-A1020 PolarHBondContact O-N 2.87Å; N1018-A1020 VanDerWaalsContact O-N 3.14Å | ||
| 1019 | P | 38.6 | Very low | 42.1 | Very low | 133 Ų | 133 | 116.5 Ų | 116.5 | 86% | 0.864 | 66% | 0.661 | S | S | * | * | S | Bend | trans | -72.4 | 5.1 | 175.6 | -14.6 | 29 | 0 | 0 | 0 | 116.9 | C1021 | P1019-C1021 PolarHBondContact O-N 2.95Å; P1019-C1021 VanDerWaalsContact O-N 3.08Å |
| 1020 | A | 38.1 | Very low | 41.1 | Very low | 101 Ų | 101 | 112.5 Ų | 112.5 | 84% | 0.835 | 65% | 0.652 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.7 | 14.1 | -168.9 | 0 | 0 | 0 | 0 | 0 | 115.7 | N1018 | N1018-A1020 PolarHBondContact O-N 2.87Å; N1018-A1020 VanDerWaalsContact O-N 3.14Å |
| 1021 | C | 32.5 | Very low | 40.7 | Very low | 126 Ų | 126 | 110.2 Ų | 110.2 | 85% | 0.851 | 64% | 0.643 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -128.7 | 9.9 | -170.1 | -149.7 | 0 | 0 | 0 | 0 | 115.9 | P1019 | P1019-C1021 PolarHBondContact O-N 2.95Å; P1019-C1021 VanDerWaalsContact O-N 3.08Å |
| 1022 | G | 37.4 | Very low | 40.4 | Very low | 46 Ų | 46 | 105.7 Ų | 105.7 | 47% | 0.474 | 62% | 0.623 | S | S | . | * | trans | -102.6 | -13.1 | -172.7 | 0 | 0 | 0 | 0 | 0 | 117.5 | G1024 | G1022-G1024 PolarHBondContact O-N 2.9Š| ||
| 1023 | E | 36.5 | Very low | 40.3 | Very low | 165 Ų | 165 | 102.1 Ų | 102.1 | 77% | 0.771 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -72.3 | -23.7 | -169.1 | -74.3 | -178.3 | 158.4 | 0 | 0 | 114.4 | V1025 | E1023-V1025 PolarHBondContact O-N 3.38Å |
| 1024 | G | 38.5 | Very low | 40.9 | Very low | 58 Ų | 58 | 97.5 Ų | 97.5 | 60% | 0.598 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -68.6 | -33.7 | -175.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | G1022 A1028 | G1022-G1024 PolarHBondContact O-N 2.9Å; G1024-A1028 PolarHBondContact O-N 2.98Å |
| 1025 | V | 41.3 | Very low | 41.4 | Very low | 60 Ų | 60 | 95.5 Ų | 95.5 | 36% | 0.364 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -82.9 | -32.7 | -173.3 | -176.1 | 0 | 0 | 0 | 0 | 111.9 | E1023 A1028 S1029 | E1023-V1025 PolarHBondContact O-N 3.38Å; V1025-A1028 PolarHBondContact O-N 3.16Å; V1025-S1029 PolarHBondContact O-N 2.94Å |
| 1026 | L | 42.9 | Very low | 42.1 | Very low | 101 Ų | 101 | 86.8 Ų | 86.8 | 53% | 0.529 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -66.8 | -36.8 | 176.1 | -82.3 | 164 | 0 | 0 | 0 | 112.1 | S1030 | L1026-S1030 PolarHBondContact O-N 2.87Å; L1026-S1030 PolarHBondContact O-OG 3.1Å |
| 1027 | M | 43.5 | Very low | 42.8 | Very low | 133 Ų | 133 | 83.9 Ų | 83.9 | 66% | 0.655 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -67.6 | -39.3 | 175.3 | -78.3 | -153.6 | -160.6 | 0 | 0 | 113.1 | S1029 S1030 T1031 | M1027-S1029 VanDerWaalsContact C-N 3.32Å; M1027-S1029 PolarHBondContact O-N 3.07Å; M1027-S1030 PolarHBondContact O-N 3.28Å; M1027-S1030 PolarHBondContact O-OG 2.8Å; M1027-S1030 VanDerWaalsContact O-OG 3.05Å; M1027-T1031 PolarHBondContact O-N 3.04Å; M1027-T1031 PolarHBondContact O-OG1 2.87Å |
| 1028 | A | 43.3 | Very low | 43.5 | Very low | 48 Ų | 48 | 75.1 Ų | 75.1 | 40% | 0.397 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -65.9 | -36.4 | -177.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | G1024 V1025 T1031 L1032 | G1024-A1028 PolarHBondContact O-N 2.98Å; V1025-A1028 PolarHBondContact O-N 3.16Å; A1028-T1031 WeakPolarHBondContact CA-OG1 2.98Å; A1028-T1031 PolarHBondContact O-OG1 3.11Å; A1028-L1032 WeakPolarHBondContact O-CB 3.14Å; A1028-L1032 PolarHBondContact O-N 3.09Å; A1028-L1032 VanDerWaalsContact O-N 3.11Å |
| 1029 | S | 44.7 | Very low | 43.9 | Very low | 8 Ų | 8 | 72.3 Ų | 72.3 | 6% | 0.056 | 46% | 0.457 | C | S | . | . | H | α-helix | trans | -72.1 | -40.3 | 177.3 | 150.7 | 0 | 0 | 0 | 0 | 112.6 | K960 V1025 M1027 L1032 A1033 | K960-S1029 PolarHBondContact NZ-OG 2.86Å; V1025-S1029 PolarHBondContact O-N 2.94Å; M1027-S1029 VanDerWaalsContact C-N 3.32Å; M1027-S1029 PolarHBondContact O-N 3.07Å; S1029-L1032 PolarHBondContact O-N 3.3Å; S1029-A1033 PolarHBondContact O-N 2.92Å |
| 1030 | S | 50.4 | Low | 44 | Very low | 62 Ų | 62 | 71 Ų | 71 | 43% | 0.434 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -71.8 | -36.4 | 178.1 | 60.4 | 0 | 0 | 0 | 0 | 112 | L1026 M1027 L1032 A1033 G1034 | L1026-S1030 PolarHBondContact O-N 2.87Å; L1026-S1030 PolarHBondContact O-OG 3.1Å; M1027-S1030 PolarHBondContact O-N 3.28Å; M1027-S1030 PolarHBondContact O-OG 2.8Å; M1027-S1030 VanDerWaalsContact O-OG 3.05Å; S1030-L1032 VanDerWaalsContact C-N 3.34Å; S1030-A1033 PolarHBondContact O-N 2.99Å; S1030-G1034 PolarHBondContact O-N 2.95Å |
| 1031 | T | 51.7 | Low | 43.9 | Very low | 87 Ų | 87 | 72.2 Ų | 72.2 | 53% | 0.534 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -65.3 | -36.5 | 172.1 | 33.7 | 0 | 0 | 0 | 0 | 112.3 | M1027 A1028 G1034 L1035 | M1027-T1031 PolarHBondContact O-N 3.04Å; M1027-T1031 PolarHBondContact O-OG1 2.87Å; A1028-T1031 WeakPolarHBondContact CA-OG1 2.98Å; A1028-T1031 PolarHBondContact O-OG1 3.11Å; T1031-G1034 PolarHBondContact O-N 2.81Å; T1031-L1035 WeakPolarHBondContact O-CB 3.43Å; T1031-L1035 WeakPolarHBondContact O-CG 3.47Å; T1031-L1035 PolarHBondContact O-N 2.68Å |
| 1032 | L | 49.1 | Very low | 44 | Very low | 44 Ų | 44 | 73.6 Ų | 73.6 | 23% | 0.23 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -71.1 | -36.5 | 176.5 | -138.4 | 92.7 | 0 | 0 | 0 | 112.7 | K992 L996 A1028 S1029 S1030 L1035 L1036 | K992-L1032 HydrophobicContact CB-CD2 4.36Å; L996-L1032 HydrophobicContact CD1-CD2 4.08Å; A1028-L1032 WeakPolarHBondContact O-CB 3.14Å; A1028-L1032 PolarHBondContact O-N 3.09Å; A1028-L1032 VanDerWaalsContact O-N 3.11Å; S1029-L1032 PolarHBondContact O-N 3.3Å; S1030-L1032 VanDerWaalsContact C-N 3.34Å; L1032-L1035 PolarHBondContact O-N 3.46Å; L1032-L1036 PolarHBondContact O-N 2.89Å |
| 1033 | A | 50.1 | Low | 43.8 | Very low | 5 Ų | 5 | 77 Ų | 77 | 4% | 0.041 | 44% | 0.437 | C | S | . | . | H | α-helix | trans | -64.9 | -44 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | E957 S1029 S1030 L1035 L1036 L1037 | E957-A1033 VanDerWaalsContact OE1-CB 3.27Å; E957-A1033 WeakPolarHBondContact OE1-CB 3.31Å; S1029-A1033 PolarHBondContact O-N 2.92Å; S1030-A1033 PolarHBondContact O-N 2.99Å; A1033-L1035 VanDerWaalsContact C-N 3.31Å; A1033-L1035 PolarHBondContact O-N 2.9Å; A1033-L1036 PolarHBondContact O-N 2.59Å; A1033-L1036 VanDerWaalsContact O-N 3.16Å; A1033-L1037 WeakPolarHBondContact O-CG 3.41Å; A1033-L1037 PolarHBondContact O-N 2.93Å |
| 1034 | G | 50.5 | Low | 43.7 | Very low | 33 Ų | 33 | 75.4 Ų | 75.4 | 34% | 0.34 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -56.9 | -42.7 | 170.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | S1030 T1031 L1036 L1037 T1038 | S1030-G1034 PolarHBondContact O-N 2.95Å; T1031-G1034 PolarHBondContact O-N 2.81Å; G1034-L1036 PolarHBondContact O-N 3.07Å; G1034-L1037 PolarHBondContact O-N 2.84Å; G1034-T1038 WeakPolarHBondContact O-CG2 2.73Å; G1034-T1038 PolarHBondContact O-N 3.08Å; G1034-T1038 PolarHBondContact O-OG1 2.77Å |
| 1035 | L | 49.4 | Very low | 43.2 | Very low | 89 Ų | 89 | 81 Ų | 81 | 47% | 0.466 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -65.8 | -35 | 176.4 | -85.6 | 159.2 | 0 | 0 | 0 | 113.5 | T1031 L1032 A1033 T1038 E1039 | T1031-L1035 WeakPolarHBondContact O-CB 3.43Å; T1031-L1035 WeakPolarHBondContact O-CG 3.47Å; T1031-L1035 PolarHBondContact O-N 2.68Å; L1032-L1035 PolarHBondContact O-N 3.46Å; A1033-L1035 VanDerWaalsContact C-N 3.31Å; A1033-L1035 PolarHBondContact O-N 2.9Å; L1035-T1038 VanDerWaalsContact CA-OG1 3.32Å; L1035-T1038 WeakPolarHBondContact CA-OG1 3.09Å; L1035-T1038 PolarHBondContact O-OG1 2.79Å; L1035-E1039 PolarHBondContact O-N 2.87Å |
| 1036 | L | 46.6 | Very low | 42.5 | Very low | 3 Ų | 3 | 85.5 Ų | 85.5 | 2% | 0.016 | 47% | 0.465 | C | S | . | . | H | α-helix | trans | -70.6 | -36.7 | 175.8 | -81.6 | 162.4 | 0 | 0 | 0 | 111.9 | I953 Y989 K992 L996 L1032 A1033 G1034 | I953-L1036 HydrophobicContact CD1-CB 4.46Å; Y989-L1036 HydrophobicContact CD2-CD2 3.71Å; Y989-L1036 HydrophobicContact CE2-CD2 3.53Å; K992-L1036 HydrophobicContact CB-CD2 4.28Å; K992-L1036 HydrophobicContact CD-CD2 3.86Å; K992-L1036 HydrophobicContact CD-CG 4.2Å; L996-L1036 HydrophobicContact CD1-CD1 3.43Å; L996-L1036 VanDerWaalsContact CD1-CD1 3.43Å; L1032-L1036 PolarHBondContact O-N 2.89Å; A1033-L1036 PolarHBondContact O-N 2.59Å; A1033-L1036 VanDerWaalsContact O-N 3.16Å; G1034-L1036 PolarHBondContact O-N 3.07Å |
| 1037 | L | 50.3 | Low | 41.9 | Very low | 69 Ų | 69 | 88.5 Ų | 88.5 | 36% | 0.361 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -69.4 | -41.1 | 174.9 | -69.8 | 165.9 | 0 | 0 | 0 | 111.2 | A1033 G1034 E1039 Q1040 | A1033-L1037 WeakPolarHBondContact O-CG 3.41Å; A1033-L1037 PolarHBondContact O-N 2.93Å; G1034-L1037 PolarHBondContact O-N 2.84Å; L1037-E1039 VanDerWaalsContact C-N 3.3Å; L1037-E1039 PolarHBondContact O-N 3.44Å; L1037-Q1040 PolarHBondContact O-N 3Å; L1037-Q1040 VanDerWaalsContact O-N 3.16Å |
| 1038 | T | 46.3 | Very low | 41.3 | Very low | 62 Ų | 62 | 89.2 Ų | 89.2 | 38% | 0.38 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -63.9 | -30.2 | 178.3 | 53.8 | 0 | 0 | 0 | 0 | 113.9 | G1034 L1035 Q1040 D1041 H1042 | G1034-T1038 WeakPolarHBondContact O-CG2 2.73Å; G1034-T1038 PolarHBondContact O-N 3.08Å; G1034-T1038 PolarHBondContact O-OG1 2.77Å; L1035-T1038 VanDerWaalsContact CA-OG1 3.32Å; L1035-T1038 WeakPolarHBondContact CA-OG1 3.09Å; L1035-T1038 PolarHBondContact O-OG1 2.79Å; T1038-Q1040 VanDerWaalsContact C-N 3.29Å; T1038-Q1040 PolarHBondContact O-N 3.04Å; T1038-D1041 PolarHBondContact O-N 3.44Å; T1038-H1042 PolarHBondContact O-CD2 3.01Å; T1038-H1042 PolarHBondContact O-N 3.15Å |
| 1039 | E | 40.6 | Very low | 40.6 | Very low | 85 Ų | 85 | 94.3 Ų | 94.3 | 40% | 0.397 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -72.7 | -20.3 | 178.3 | -86.3 | 176.4 | -175 | 0 | 0 | 113 | K992 L1035 L1037 | K992-E1039 IonicContact NZ-OE1 2.8Å; K992-E1039 PolarHBondContact NZ-OE1 2.83Å; K992-E1039 IonicContact NZ-OE2 3.84Å; K992-E1039 PolarHBondContact NZ-OE2 3.4Å; L1035-E1039 PolarHBondContact O-N 2.87Å; L1037-E1039 VanDerWaalsContact C-N 3.3Å; L1037-E1039 PolarHBondContact O-N 3.44Å |
| 1040 | Q | 39.7 | Very low | 40 | Very low | 105 Ų | 105 | 97.1 Ų | 97.1 | 49% | 0.491 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -80.5 | -29.3 | 176 | -72 | -168.4 | -51.8 | 0 | 0 | 113.1 | L1037 T1038 | L1037-Q1040 PolarHBondContact O-N 3Å; L1037-Q1040 VanDerWaalsContact O-N 3.16Å; T1038-Q1040 VanDerWaalsContact C-N 3.29Å; T1038-Q1040 PolarHBondContact O-N 3.04Å |
| 1041 | D | 37 | Very low | 39 | Very low | 127 Ų | 127 | 101.8 Ų | 101.8 | 68% | 0.679 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -85.4 | -20.3 | -179.4 | -71.2 | -24.8 | 0 | 0 | 0 | 113.3 | T1038 T1043 | T1038-D1041 PolarHBondContact O-N 3.44Å; D1041-T1043 VanDerWaalsContact C-N 3.35Å; D1041-T1043 PolarHBondContact O-N 2.95Å |
| 1042 | H | 35.4 | Very low | 38 | Very low | 156 Ų | 156 | 104.6 Ų | 104.6 | 72% | 0.722 | 57% | 0.567 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.1 | 5.2 | -176.6 | -74 | -45.6 | 0 | 0 | 0 | 116.1 | T1038 | T1038-H1042 PolarHBondContact O-CD2 3.01Å; T1038-H1042 PolarHBondContact O-N 3.15Å |
| 1043 | T | 33 | Very low | 37.1 | Very low | 117 Ų | 117 | 109.2 Ų | 109.2 | 72% | 0.718 | 59% | 0.592 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105.9 | 11.9 | -179 | 51.5 | 0 | 0 | 0 | 0 | 116 | D1041 | D1041-T1043 VanDerWaalsContact C-N 3.35Å; D1041-T1043 PolarHBondContact O-N 2.95Å |
| 1044 | I | 32.5 | Very low | 36.1 | Very low | 131 Ų | 131 | 118.9 Ų | 118.9 | 67% | 0.672 | 63% | 0.633 | S | S | * | * | S | Bend | trans | -102 | -7.6 | -174.6 | -63.3 | 178.5 | 0 | 0 | 0 | 115 | ||
| 1045 | H | 28.2 | Very low | 35.1 | Very low | 176 Ų | 176 | 126.1 Ų | 126.1 | 82% | 0.815 | 66% | 0.658 | S | S | * | * | S | Bend | trans | -128 | 77.4 | 176.9 | -79 | -58.8 | 0 | 0 | 0 | 113.2 | ||
| 1046 | N | 26.9 | Very low | 34.2 | Very low | 154 Ų | 154 | 126.7 Ų | 126.7 | 82% | 0.824 | 67% | 0.67 | S | S | * | * | trans | -173.6 | 109.8 | 148.3 | -97.7 | -21.5 | 0 | 0 | 0 | 107.8 | ||||
| 1047 | N | 31.1 | Very low | 33.3 | Very low | 164 Ų | 164 | 135.8 Ų | 135.8 | 88% | 0.877 | 71% | 0.712 | S | S | * | * | trans | -176.4 | 95.1 | 138.2 | -90.3 | -14.8 | 0 | 0 | 0 | 109.4 | ||||
| 1048 | N | 29.7 | Very low | 32.2 | Very low | 148 Ų | 148 | 139.6 Ų | 139.6 | 79% | 0.791 | 73% | 0.731 | S | S | * | * | trans | -61.4 | 142.5 | 146.5 | -87.6 | -25 | 0 | 0 | 0 | 109.3 | ||||
| 1049 | N | 30.3 | Very low | 31.4 | Very low | 156 Ų | 156 | 143.7 Ų | 143.7 | 83% | 0.834 | 75% | 0.75 | S | S | * | * | trans | 77.9 | 120.7 | 150.8 | -59 | -17.2 | 0 | 0 | 0 | 119.1 | ||||
| 1050 | G | 31 | Very low | 30.8 | Very low | 66 Ų | 66 | 148.4 Ų | 148.4 | 68% | 0.68 | 77% | 0.772 | S | S | * | * | 106.7 | 90 | 125.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | |||||
| 1051 | I | 28.9 | Very low | 30.1 | Very low | 161 Ų | 161 | 150.1 Ų | 150.1 | 83% | 0.826 | 78% | 0.784 | S | S | * | * | 36.1 | 110.1 | 125.5 | -49.5 | 167.5 | 0 | 0 | 0 | 114.4 | |||||
| 1052 | I | 31.3 | Very low | 29.7 | Very low | 146 Ų | 146 | 153.9 Ų | 153.9 | 75% | 0.749 | 79% | 0.79 | S | S | * | * | trans | 179.5 | 115.8 | 132 | -92.4 | 152 | 0 | 0 | 0 | 110 | ||||
| 1053 | N | 31.4 | Very low | 29.3 | Very low | 140 Ų | 140 | 151.6 Ų | 151.6 | 75% | 0.749 | 78% | 0.784 | S | S | * | * | trans | 70.5 | 102.2 | 139.6 | -57.8 | -6.8 | 0 | 0 | 0 | 121.1 | E1055 | N1053-E1055 PolarHBondContact O-N 3.4Š| ||
| 1054 | K | 29.2 | Very low | 29 | Very low | 209 Ų | 209 | 152 Ų | 152 | 91% | 0.909 | 79% | 0.791 | S | S | * | * | -9.9 | 117.6 | 125.5 | -72.4 | 175 | 170.9 | 178.8 | 0 | 114.4 | |||||
| 1055 | E | 29.5 | Very low | 28.9 | Very low | 184 Ų | 184 | 149.4 Ų | 149.4 | 86% | 0.86 | 78% | 0.778 | S | S | * | * | trans | -158.3 | 134.5 | 145.4 | -113.6 | 170.5 | -161.8 | 0 | 0 | 109.8 | N1053 | N1053-E1055 PolarHBondContact O-N 3.4Š| ||
| 1056 | S | 28.6 | Very low | 28.8 | Very low | 102 Ų | 102 | 150.3 Ų | 150.3 | 71% | 0.713 | 78% | 0.783 | S | S | * | * | trans | 78.8 | 72.8 | 160.2 | 62.7 | 0 | 0 | 0 | 0 | 119.8 | I1058 | S1056-I1058 PolarHBondContact O-N 3.39Š| ||
| 1057 | E | 28.6 | Very low | 28.9 | Very low | 194 Ų | 194 | 152.1 Ų | 152.1 | 91% | 0.907 | 78% | 0.779 | S | S | * | * | -58.2 | 112.7 | 120.2 | -72.5 | 175.6 | 148.3 | 0 | 0 | 107.6 | |||||
| 1058 | I | 27.9 | Very low | 28.8 | Very low | 148 Ų | 148 | 148.4 Ų | 148.4 | 76% | 0.759 | 77% | 0.766 | S | S | * | * | trans | -179 | 126.5 | 156.7 | -87.9 | 143.3 | 0 | 0 | 0 | 105.7 | S1056 | S1056-I1058 PolarHBondContact O-N 3.39Š| ||
| 1059 | L | 28.2 | Very low | 28.8 | Very low | 148 Ų | 148 | 148.4 Ų | 148.4 | 78% | 0.775 | 77% | 0.766 | S | S | * | * | trans | 117.7 | 49.1 | 175.5 | -63.4 | 155.7 | 0 | 0 | 0 | 115.5 | ||||
| 1060 | Q | 27.8 | Very low | 29.1 | Very low | 185 Ų | 185 | 145 Ų | 145 | 86% | 0.864 | 76% | 0.755 | S | S | * | * | -80 | 146.1 | 129.5 | -79.7 | -177.6 | -9.6 | 0 | 0 | 108 | |||||
| 1061 | N | 26.8 | Very low | 29.3 | Very low | 140 Ų | 140 | 147.4 Ų | 147.4 | 75% | 0.749 | 75% | 0.752 | S | S | * | * | trans | 83.2 | 91.7 | -170.2 | -56.2 | -28 | 0 | 0 | 0 | 113.7 | ||||
| 1062 | Y | 28.1 | Very low | 29.5 | Very low | 206 Ų | 206 | 144.5 Ų | 144.5 | 81% | 0.808 | 74% | 0.736 | S | S | * | * | -168.4 | 132.2 | 123.1 | -102.9 | -73.4 | 0 | 0 | 0 | 109.6 | |||||
| 1063 | N | 27.5 | Very low | 29.9 | Very low | 108 Ų | 108 | 142.8 Ų | 142.8 | 58% | 0.578 | 73% | 0.728 | S | S | * | * | trans | 91.6 | 64 | 154.5 | -56.2 | -23.7 | 0 | 0 | 0 | 118.4 | I1065 | N1063-I1065 VanDerWaalsContact C-N 3.25Å; N1063-I1065 HydrophobicContact CB-CD1 3.94Å; N1063-I1065 HydrophobicContact CB-CG1 3.81Å; N1063-I1065 PolarHBondContact O-N 3.49Å; N1063-I1065 VanDerWaalsContact OD1-CD1 3.22Å; N1063-I1065 WeakPolarHBondContact OD1-CD1 3.45Å; N1063-I1065 WeakPolarHBondContact OD1-CG1 3.25Å | ||
| 1064 | S | 25.7 | Very low | 30.2 | Very low | 126 Ų | 126 | 142.2 Ų | 142.2 | 88% | 0.881 | 73% | 0.725 | S | S | * | * | -54.9 | 96.5 | 115.5 | 54.8 | 0 | 0 | 0 | 0 | 109.4 | |||||
| 1065 | I | 30.3 | Very low | 30.9 | Very low | 77 Ų | 77 | 137.1 Ų | 137.1 | 40% | 0.395 | 71% | 0.706 | S | S | . | * | trans | -129.1 | 108.9 | 158.3 | -49.3 | 169 | 0 | 0 | 0 | 109.5 | N1063 Y1067 | N1063-I1065 VanDerWaalsContact C-N 3.25Å; N1063-I1065 HydrophobicContact CB-CD1 3.94Å; N1063-I1065 HydrophobicContact CB-CG1 3.81Å; N1063-I1065 PolarHBondContact O-N 3.49Å; N1063-I1065 VanDerWaalsContact OD1-CD1 3.22Å; N1063-I1065 WeakPolarHBondContact OD1-CD1 3.45Å; N1063-I1065 WeakPolarHBondContact OD1-CG1 3.25Å; I1065-Y1067 HydrophobicContact CB-CD2 3.95Å; I1065-Y1067 HydrophobicContact CB-CE2 3.68Å; I1065-Y1067 HydrophobicContact CD1-CE2 3.98Å; I1065-Y1067 HydrophobicContact CG1-CE2 4.41Å; I1065-Y1067 HydrophobicContact CG2-CD1 4.4Å; I1065-Y1067 HydrophobicContact CG2-CD2 3.41Å; I1065-Y1067 VanDerWaalsContact CG2-CD2 3.41Å; I1065-Y1067 HydrophobicContact CG2-CE1 4.08Å; I1065-Y1067 HydrophobicContact CG2-CE2 3.03Å; I1065-Y1067 HydrophobicContact CG2-CG 4.09Å; I1065-Y1067 PolarHBondContact O-N 2.94Å | ||
| 1066 | Q | 25.3 | Very low | 31.7 | Very low | 194 Ų | 194 | 133.7 Ų | 133.7 | 91% | 0.907 | 69% | 0.688 | S | S | * | * | trans | -57.8 | 114.1 | 159.5 | -71.5 | 174.1 | -32.8 | 0 | 0 | 108.3 | ||||
| 1067 | Y | 29.6 | Very low | 32.8 | Very low | 193 Ų | 193 | 132.6 Ų | 132.6 | 76% | 0.757 | 68% | 0.678 | S | S | * | * | trans | -121.8 | 121.3 | 162.9 | -78.2 | -65 | 0 | 0 | 0 | 109.7 | I1065 | I1065-Y1067 HydrophobicContact CB-CD2 3.95Å; I1065-Y1067 HydrophobicContact CB-CE2 3.68Å; I1065-Y1067 HydrophobicContact CD1-CE2 3.98Å; I1065-Y1067 HydrophobicContact CG1-CE2 4.41Å; I1065-Y1067 HydrophobicContact CG2-CD1 4.4Å; I1065-Y1067 HydrophobicContact CG2-CD2 3.41Å; I1065-Y1067 VanDerWaalsContact CG2-CD2 3.41Å; I1065-Y1067 HydrophobicContact CG2-CE1 4.08Å; I1065-Y1067 HydrophobicContact CG2-CE2 3.03Å; I1065-Y1067 HydrophobicContact CG2-CG 4.09Å; I1065-Y1067 PolarHBondContact O-N 2.94Å | ||
| 1068 | S | 28.8 | Very low | 34.1 | Very low | 86 Ų | 86 | 128.7 Ų | 128.7 | 60% | 0.601 | 66% | 0.663 | S | S | * | * | trans | -63 | 139.5 | -173.9 | 40.1 | 0 | 0 | 0 | 0 | 113.6 | S1070 | S1068-S1070 PolarHBondContact O-N 3.28Š| ||
| 1069 | N | 30.8 | Very low | 35.6 | Very low | 147 Ų | 147 | 124.3 Ų | 124.3 | 79% | 0.786 | 64% | 0.643 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.5 | -6.9 | -173.3 | -94.2 | -25.5 | 0 | 0 | 0 | 116.7 | ||
| 1070 | S | 36.2 | Very low | 37.1 | Very low | 86 Ų | 86 | 119.5 Ų | 119.5 | 60% | 0.601 | 62% | 0.617 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.9 | -25.9 | -176.2 | 44.4 | 0 | 0 | 0 | 0 | 114.1 | S1068 | S1068-S1070 PolarHBondContact O-N 3.28Š|
| 1071 | N | 35 | Very low | 38.8 | Very low | 115 Ų | 115 | 114.8 Ų | 114.8 | 62% | 0.615 | 60% | 0.598 | S | S | * | * | S | Bend | trans | -86.1 | -16.6 | -178.1 | -79.5 | -15.1 | 0 | 0 | 0 | 114.4 | I1075 | N1071-I1075 WeakPolarHBondContact O-CG1 3.37Å; N1071-I1075 PolarHBondContact O-N 3.45Å |
| 1072 | M | 33.8 | Very low | 40.7 | Very low | 101 Ų | 101 | 115.6 Ų | 115.6 | 50% | 0.498 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -72.7 | -28 | -176.3 | -95.8 | -74.9 | -92 | 0 | 0 | 114.4 | I1075 K1076 | M1072-I1075 PolarHBondContact O-N 3.46Å; M1072-K1076 WeakPolarHBondContact O-CB 3.05Å; M1072-K1076 WeakPolarHBondContact O-CG 3.48Å; M1072-K1076 PolarHBondContact O-N 2.91Å |
| 1073 | N | 38 | Very low | 42.6 | Very low | 110 Ų | 110 | 106.3 Ų | 106.3 | 59% | 0.588 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -76 | -30.7 | -178.2 | -79.7 | -13.6 | 0 | 0 | 0 | 113.4 | T1077 | N1073-T1077 PolarHBondContact O-N 2.92Å; N1073-T1077 PolarHBondContact O-OG1 2.82Å |
| 1074 | L | 38.5 | Very low | 44.6 | Very low | 127 Ų | 127 | 104 Ų | 104 | 67% | 0.665 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -74.9 | -32.2 | 171.8 | -92.3 | 100.3 | 0 | 0 | 0 | 112.4 | T1077 N1078 | L1074-T1077 PolarHBondContact O-OG1 3.17Å; L1074-N1078 PolarHBondContact O-N 3.46Å |
| 1075 | I | 44.9 | Very low | 47 | Very low | 103 Ų | 103 | 104.2 Ų | 104.2 | 53% | 0.528 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -74.7 | -38.1 | 177 | -60.9 | 169.4 | 0 | 0 | 0 | 110.5 | N1071 M1072 T1077 V1079 | N1071-I1075 WeakPolarHBondContact O-CG1 3.37Å; N1071-I1075 PolarHBondContact O-N 3.45Å; M1072-I1075 PolarHBondContact O-N 3.46Å; I1075-T1077 PolarHBondContact O-N 2.85Å; I1075-V1079 HydrophobicContact CG2-CG2 4.41Å; I1075-V1079 VanDerWaalsContact O-CG2 3.3Å; I1075-V1079 WeakPolarHBondContact O-CG2 3.24Å; I1075-V1079 PolarHBondContact O-N 2.89Å |
| 1076 | K | 44.5 | Very low | 49.3 | Very low | 111 Ų | 111 | 105.3 Ų | 105.3 | 48% | 0.483 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -61.3 | -39.8 | 175.4 | -85.8 | -178.8 | 173.8 | -179.3 | 0 | 113.5 | M1072 M1080 | M1072-K1076 WeakPolarHBondContact O-CB 3.05Å; M1072-K1076 WeakPolarHBondContact O-CG 3.48Å; M1072-K1076 PolarHBondContact O-N 2.91Å; K1076-M1080 WeakPolarHBondContact O-CB 3.4Å; K1076-M1080 PolarHBondContact O-N 3.33Å |
| 1077 | T | 52.5 | Low | 51.9 | Low | 79 Ų | 79 | 97 Ų | 97 | 49% | 0.485 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -73.7 | -39.7 | -178.3 | 35.7 | 0 | 0 | 0 | 0 | 112.4 | N1073 L1074 I1075 V1079 N1081 | N1073-T1077 PolarHBondContact O-N 2.92Å; N1073-T1077 PolarHBondContact O-OG1 2.82Å; L1074-T1077 PolarHBondContact O-OG1 3.17Å; I1075-T1077 PolarHBondContact O-N 2.85Å; T1077-V1079 PolarHBondContact O-N 2.78Å; T1077-N1081 WeakPolarHBondContact O-CB 3.22Å; T1077-N1081 VanDerWaalsContact O-CG 3.3Å; T1077-N1081 PolarHBondContact O-N 2.99Å; T1077-N1081 VanDerWaalsContact O-N 3.12Å |
| 1078 | N | 56.2 | Low | 54.7 | Low | 112 Ų | 112 | 92.5 Ų | 92.5 | 60% | 0.599 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -70 | -31.7 | 178.3 | -94.5 | -16.7 | 0 | 0 | 0 | 114 | L1074 | L1074-N1078 PolarHBondContact O-N 3.46Å |
| 1079 | V | 58.7 | Low | 57.5 | Low | 56 Ų | 56 | 91.8 Ų | 91.8 | 34% | 0.339 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -78.2 | -38.6 | 179.2 | 177.8 | 0 | 0 | 0 | 0 | 111.5 | Y973 I1075 T1077 L1083 | Y973-V1079 HydrophobicContact CD1-CG1 4.32Å; Y973-V1079 HydrophobicContact CE1-CG1 3.39Å; I1075-V1079 HydrophobicContact CG2-CG2 4.41Å; I1075-V1079 VanDerWaalsContact O-CG2 3.3Å; I1075-V1079 WeakPolarHBondContact O-CG2 3.24Å; I1075-V1079 PolarHBondContact O-N 2.89Å; T1077-V1079 PolarHBondContact O-N 2.78Å; V1079-L1083 PolarHBondContact O-N 3.13Å |
| 1080 | M | 60.8 | Low | 60.1 | Low | 48 Ų | 48 | 84.9 Ų | 84.9 | 24% | 0.236 | 43% | 0.429 | C | S | . | . | H | α-helix | trans | -66.5 | -41.9 | 175.4 | -85.2 | -67.9 | -125.1 | 0 | 0 | 112.8 | E970 K1076 R1082 L1083 I1084 | E970-M1080 HydrophobicContact CB-CE 3.93Å; E970-M1080 HydrophobicContact CG-CE 3.54Å; E970-M1080 HydrophobicContact CG-SD 4.08Å; E970-M1080 WeakPolarHBondContact OE2-CE 3.39Å; K1076-M1080 WeakPolarHBondContact O-CB 3.4Å; K1076-M1080 PolarHBondContact O-N 3.33Å; M1080-R1082 VanDerWaalsContact C-N 3.28Å; M1080-R1082 PolarHBondContact O-N 3.27Å; M1080-L1083 WeakPolarHBondContact O-CB 3.36Å; M1080-L1083 PolarHBondContact O-N 2.73Å; M1080-L1083 VanDerWaalsContact O-N 3.1Å; M1080-I1084 WeakPolarHBondContact O-CG1 3.37Å; M1080-I1084 PolarHBondContact O-N 2.93Å |
| 1081 | N | 63.4 | Low | 62.5 | Low | 86 Ų | 86 | 81.1 Ų | 81.1 | 46% | 0.46 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -61 | -36.9 | 179.4 | -75.5 | -7.7 | 0 | 0 | 0 | 112.3 | T1077 L1083 I1084 D1085 | T1077-N1081 WeakPolarHBondContact O-CB 3.22Å; T1077-N1081 VanDerWaalsContact O-CG 3.3Å; T1077-N1081 PolarHBondContact O-N 2.99Å; T1077-N1081 VanDerWaalsContact O-N 3.12Å; N1081-L1083 VanDerWaalsContact C-N 3.32Å; N1081-L1083 PolarHBondContact O-N 2.9Å; N1081-I1084 PolarHBondContact O-N 3.06Å; N1081-D1085 WeakPolarHBondContact O-CB 3.46Å; N1081-D1085 PolarHBondContact O-N 3.38Å |
| 1082 | R | 65.6 | Low | 65.1 | Low | 156 Ų | 156 | 79.1 Ų | 79.1 | 59% | 0.589 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -65.9 | -34.3 | 175.7 | -73.3 | -174.6 | -173.6 | -176.5 | 3.6 | 113.4 | M1080 Q1086 D1124 | M1080-R1082 VanDerWaalsContact C-N 3.28Å; M1080-R1082 PolarHBondContact O-N 3.27Å; R1082-Q1086 PolarHBondContact O-N 3.05Å; R1082-D1124 IonicContact NH1-OD2 3.12Å |
| 1083 | L | 68.3 | Low | 67.7 | Low | 11 Ų | 11 | 74.3 Ų | 74.3 | 6% | 0.058 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -73.8 | -36.4 | -178.7 | -151.3 | 166.6 | 0 | 0 | 0 | 111.1 | Y973 I997 M1001 V1079 M1080 N1081 P1087 | Y973-L1083 VanDerWaalsContact CB-CD1 3.46Å; Y973-L1083 HydrophobicContact CD1-CD1 3.48Å; Y973-L1083 VanDerWaalsContact CD1-CD1 3.48Å; Y973-L1083 HydrophobicContact CD2-CD1 3.23Å; Y973-L1083 HydrophobicContact CD2-CG 3.69Å; Y973-L1083 HydrophobicContact CE1-CD1 3.93Å; Y973-L1083 HydrophobicContact CE2-CD1 3.7Å; Y973-L1083 HydrophobicContact CE2-CG 3.91Å; Y973-L1083 HydrophobicContact CG-CD1 3.09Å; Y973-L1083 HydrophobicContact CG-CG 4.07Å; I997-L1083 HydrophobicContact CG2-CD2 3.58Å; I997-L1083 HydrophobicContact CG2-CG 4.41Å; M1001-L1083 HydrophobicContact CG-CD2 4.15Å; M1001-L1083 HydrophobicContact SD-CD2 4.38Å; V1079-L1083 PolarHBondContact O-N 3.13Å; M1080-L1083 WeakPolarHBondContact O-CB 3.36Å; M1080-L1083 PolarHBondContact O-N 2.73Å; M1080-L1083 VanDerWaalsContact O-N 3.1Å; N1081-L1083 VanDerWaalsContact C-N 3.32Å; N1081-L1083 PolarHBondContact O-N 2.9Å; L1083-P1087 WeakPolarHBondContact O-CA 3.2Å; L1083-P1087 WeakPolarHBondContact O-CB 3.28Å |
| 1084 | I | 70.8 | Confident | 70.1 | Confident | 59 Ų | 59 | 70.5 Ų | 70.5 | 30% | 0.303 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -69 | -46 | 173.9 | -65.8 | 169.3 | 0 | 0 | 0 | 110.6 | M1001 Y1005 M1080 N1081 | M1001-I1084 HydrophobicContact CE-CB 4.49Å; M1001-I1084 HydrophobicContact CE-CG1 3.96Å; Y1005-I1084 WeakPolarHBondContact OH-CG2 3.27Å; Y1005-I1084 PolarHBondContact OH-O 3.35Å; M1080-I1084 WeakPolarHBondContact O-CG1 3.37Å; M1080-I1084 PolarHBondContact O-N 2.93Å; N1081-I1084 PolarHBondContact O-N 3.06Å |
| 1085 | D | 74.6 | Confident | 72.6 | Confident | 131 Ų | 131 | 68.1 Ų | 68.1 | 70% | 0.701 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -75.3 | -35.6 | -175.5 | -76.7 | -17.6 | 0 | 0 | 0 | 113.9 | N1081 | N1081-D1085 WeakPolarHBondContact O-CB 3.46Å; N1081-D1085 PolarHBondContact O-N 3.38Å |
| 1086 | Q | 79.5 | Confident | 74.8 | Confident | 100 Ų | 100 | 65.5 Ų | 65.5 | 47% | 0.467 | 31% | 0.313 | S | S | . | . | trans | -135.7 | 61.8 | -174.3 | -64.3 | -173.9 | -25 | 0 | 0 | 112.5 | R1082 W1088 R1089 | R1082-Q1086 PolarHBondContact O-N 3.05Å; Q1086-W1088 PolarHBondContact O-N 3.34Å; Q1086-W1088 VanDerWaalsContact O-N 3.13Å; Q1086-R1089 HydrophobicContact CB-CB 4.02Å; Q1086-R1089 PolarHBondContact O-N 2.82Å | ||
| 1087 | P | 80 | Confident | 76.8 | Confident | 20 Ų | 20 | 60.7 Ų | 60.7 | 13% | 0.13 | 29% | 0.293 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.9 | -30.1 | -171.4 | 22 | -32.2 | 0 | 0 | 0 | 113.5 | M1001 L1083 | M1001-P1087 HydrophobicContact CB-CB 4.13Å; M1001-P1087 HydrophobicContact CG-CB 4.31Å; L1083-P1087 WeakPolarHBondContact O-CA 3.2Å; L1083-P1087 WeakPolarHBondContact O-CB 3.28Å |
| 1088 | W | 87.4 | Confident | 78.6 | Confident | 98 Ų | 98 | 59.8 Ų | 59.8 | 37% | 0.371 | 28% | 0.283 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.8 | -11.7 | -176.2 | -65 | 101.3 | 0 | 0 | 0 | 114.8 | V995 L999 E1002 Q1086 G1090 A1091 E1092 | V995-W1088 HydrophobicContact CB-CZ3 4.42Å; V995-W1088 HydrophobicContact CG1-CZ3 4.11Å; V995-W1088 HydrophobicContact CG2-CZ3 4.35Å; L999-W1088 HydrophobicContact CD2-CH2 3.93Å; L999-W1088 HydrophobicContact CD2-CZ2 4.42Å; L999-W1088 HydrophobicContact CG-CH2 4.04Å; E1002-W1088 HydrophobicContact CG-CZ2 4.34Å; E1002-W1088 WeakPolarHBondContact OE1-CZ2 3.28Å; E1002-W1088 PolarHBondContact OE1-NE1 2.77Å; Q1086-W1088 PolarHBondContact O-N 3.34Å; Q1086-W1088 VanDerWaalsContact O-N 3.13Å; W1088-G1090 VanDerWaalsContact C-N 3.29Å; W1088-G1090 PolarHBondContact O-N 3.27Å; W1088-A1091 WeakPolarHBondContact O-CB 3.45Å; W1088-A1091 PolarHBondContact O-N 2.89Å; W1088-E1092 PolarHBondContact O-N 3.33Å |
| 1089 | R | 87.2 | Confident | 80.2 | Confident | 71 Ų | 71 | 57 Ų | 57 | 27% | 0.268 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -63.3 | -32.2 | -168.9 | -166.9 | 169 | 174 | -149 | -9.6 | 113.6 | Q1086 E1092 A1093 D1121 Y1122 D1124 I1125 | Q1086-R1089 HydrophobicContact CB-CB 4.02Å; Q1086-R1089 PolarHBondContact O-N 2.82Å; R1089-E1092 PolarHBondContact O-N 3.42Å; R1089-A1093 PolarHBondContact O-N 3.2Å; R1089-D1121 PolarHBondContact NH2-O 2.83Å; R1089-Y1122 HydrophobicContact CG-CD1 4.07Å; R1089-Y1122 HydrophobicContact CG-CE1 3.74Å; R1089-D1124 IonicContact CZ-OD1 2.78Å; R1089-D1124 IonicContact CZ-OD2 2.69Å; R1089-D1124 IonicContact NH1-OD2 3.8Å; R1089-D1124 PolarHBondContact NH1-OD2 3.08Å; R1089-D1124 IonicContact NH2-OD1 2.67Å; R1089-D1124 PolarHBondContact NH2-OD1 3.03Å; R1089-D1124 IonicContact NH2-OD2 3.88Å; R1089-I1125 HydrophobicContact CB-CD1 4.23Å; R1089-I1125 HydrophobicContact CG-CD1 3.89Å |
| 1090 | G | 85.2 | Confident | 81.6 | Confident | 3 Ų | 3 | 54.3 Ų | 54.3 | 3% | 0.031 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -68.7 | -38.2 | 174 | 0 | 0 | 0 | 0 | 0 | 113.6 | W1088 E1092 A1093 Y1094 | W1088-G1090 VanDerWaalsContact C-N 3.29Å; W1088-G1090 PolarHBondContact O-N 3.27Å; G1090-E1092 VanDerWaalsContact C-N 3.31Å; G1090-A1093 PolarHBondContact O-N 2.9Å; G1090-Y1094 WeakPolarHBondContact O-CD2 3.24Å; G1090-Y1094 PolarHBondContact O-N 2.82Å |
| 1091 | A | 88.3 | Confident | 82.8 | Confident | 6 Ų | 6 | 55 Ų | 55 | 5% | 0.05 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -67.7 | -36.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | Y994 V995 W1088 H1095 | Y994-A1091 VanDerWaalsContact CB-N 3.3Å; V995-A1091 HydrophobicContact CG2-CB 3.7Å; W1088-A1091 WeakPolarHBondContact O-CB 3.45Å; W1088-A1091 PolarHBondContact O-N 2.89Å; A1091-H1095 VanDerWaalsContact O-CB 3.29Å; A1091-H1095 WeakPolarHBondContact O-CB 3.41Å; A1091-H1095 PolarHBondContact O-N 2.78Å |
| 1092 | E | 88.6 | Confident | 84 | Confident | 74 Ų | 74 | 57.4 Ų | 57.4 | 35% | 0.346 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -63.3 | -47.2 | 175.8 | -157.5 | -171.1 | -176.8 | 0 | 0 | 111.7 | W1088 R1089 G1090 Y1094 H1095 Y1096 Y1122 | W1088-E1092 PolarHBondContact O-N 3.33Å; R1089-E1092 PolarHBondContact O-N 3.42Å; G1090-E1092 VanDerWaalsContact C-N 3.31Å; E1092-Y1094 PolarHBondContact O-N 2.8Å; E1092-H1095 WeakPolarHBondContact O-CB 3.13Å; E1092-H1095 PolarHBondContact O-N 3.02Å; E1092-H1095 VanDerWaalsContact O-N 3.1Å; E1092-Y1096 HydrophobicContact CG-CD2 4.16Å; E1092-Y1096 HydrophobicContact CG-CE2 3.5Å; E1092-Y1096 WeakPolarHBondContact O-CD2 3.38Å; E1092-Y1096 PolarHBondContact O-N 3Å; E1092-Y1096 WeakPolarHBondContact OE1-CE2 3.48Å; E1092-Y1096 PolarHBondContact OE1-OH 3.35Å; E1092-Y1122 HydrophobicContact CB-CE1 4.21Å; E1092-Y1122 HydrophobicContact CG-CE1 4.45Å; E1092-Y1122 PolarHBondContact OE1-OH 3.24Å; E1092-Y1122 VanDerWaalsContact OE1-OH 3.1Å; E1092-Y1122 PolarHBondContact OE2-OH 2.94Å |
| 1093 | A | 88.2 | Confident | 85.2 | Confident | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -55.8 | -51.4 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | R1089 G1090 H1095 Y1096 I1097 Y1122 I1125 L1126 | R1089-A1093 PolarHBondContact O-N 3.2Å; G1090-A1093 PolarHBondContact O-N 2.9Å; A1093-H1095 VanDerWaalsContact C-N 3.3Å; A1093-H1095 PolarHBondContact O-N 2.67Å; A1093-Y1096 PolarHBondContact O-N 2.83Å; A1093-I1097 PolarHBondContact O-N 3.24Å; A1093-I1097 VanDerWaalsContact O-N 3.17Å; A1093-Y1122 HydrophobicContact CB-CD1 3.49Å; A1093-Y1122 VanDerWaalsContact CB-CD1 3.49Å; A1093-Y1122 HydrophobicContact CB-CE1 4.25Å; A1093-Y1122 HydrophobicContact CB-CG 3.78Å; A1093-I1125 HydrophobicContact CB-CB 4.32Å; A1093-I1125 HydrophobicContact CB-CD1 4.42Å; A1093-I1125 HydrophobicContact CB-CG2 4.09Å; A1093-L1126 HydrophobicContact CB-CD1 3.9Å; A1093-L1126 HydrophobicContact CB-CG 4.06Å |
| 1094 | Y | 89.1 | Confident | 86.2 | Confident | 29 Ų | 29 | 52.3 Ų | 52.3 | 11% | 0.114 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -71.1 | -26.3 | 178.3 | -79.8 | -84.5 | 0 | 0 | 0 | 112.5 | P987 M990 Y994 G1090 E1092 I1097 M1098 I1125 L1126 | P987-Y1094 HydrophobicContact CB-CD1 4.05Å; M990-Y1094 HydrophobicContact CB-CD1 3.66Å; M990-Y1094 HydrophobicContact CB-CD2 3.87Å; M990-Y1094 HydrophobicContact CB-CE1 3.49Å; M990-Y1094 VanDerWaalsContact CB-CE1 3.49Å; M990-Y1094 HydrophobicContact CB-CE2 3.73Å; M990-Y1094 HydrophobicContact CB-CG 3.84Å; M990-Y1094 HydrophobicContact CE-CE2 4.36Å; M990-Y1094 WeakPolarHBondContact CE-OH 3.39Å; M990-Y1094 HydrophobicContact CG-CD1 4.4Å; M990-Y1094 HydrophobicContact CG-CE1 3.78Å; M990-Y1094 HydrophobicContact CG-CE2 4.37Å; Y994-Y1094 HydrophobicContact CD2-CD2 4.09Å; Y994-Y1094 HydrophobicContact CD2-CE2 4.31Å; Y994-Y1094 HydrophobicContact CE2-CD2 4.01Å; Y994-Y1094 AromaticContact CE2-CE2 3.79Å; Y994-Y1094 HydrophobicContact CE2-CE2 3.79Å; G1090-Y1094 WeakPolarHBondContact O-CD2 3.24Å; G1090-Y1094 PolarHBondContact O-N 2.82Å; E1092-Y1094 PolarHBondContact O-N 2.8Å; Y1094-I1097 PolarHBondContact O-N 3.09Å; Y1094-M1098 WeakPolarHBondContact O-CG 3.41Å; Y1094-M1098 PolarHBondContact O-N 3.41Å; Y1094-I1125 HydrophobicContact CE2-CG2 4.39Å; Y1094-L1126 HydrophobicContact CD1-CD2 4.28Å; Y1094-L1126 HydrophobicContact CD2-CD2 4.18Å; Y1094-L1126 HydrophobicContact CE1-CD2 3.97Å; Y1094-L1126 HydrophobicContact CE2-CD2 3.83Å; Y1094-L1126 HydrophobicContact CG-CD2 4.4Å |
| 1095 | H | 90.8 | Very high | 86.9 | Confident | 77 Ų | 77 | 59.1 Ų | 59.1 | 36% | 0.356 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -63.5 | -46.4 | 171.1 | -175 | 34 | 0 | 0 | 0 | 111.9 | K991 A1091 E1092 A1093 I1097 M1098 L1099 | K991-H1095 HydrophobicContact CD-CB 4.01Å; K991-H1095 PolarHBondContact NZ-ND1 3.42Å; A1091-H1095 VanDerWaalsContact O-CB 3.29Å; A1091-H1095 WeakPolarHBondContact O-CB 3.41Å; A1091-H1095 PolarHBondContact O-N 2.78Å; E1092-H1095 WeakPolarHBondContact O-CB 3.13Å; E1092-H1095 PolarHBondContact O-N 3.02Å; E1092-H1095 VanDerWaalsContact O-N 3.1Å; A1093-H1095 VanDerWaalsContact C-N 3.3Å; A1093-H1095 PolarHBondContact O-N 2.67Å; H1095-I1097 VanDerWaalsContact C-N 3.34Å; H1095-I1097 PolarHBondContact O-N 2.87Å; H1095-M1098 PolarHBondContact O-N 3.38Å; H1095-L1099 WeakPolarHBondContact O-CB 3.48Å; H1095-L1099 PolarHBondContact O-N 3.23Å |
| 1096 | Y | 90.3 | Very high | 87.7 | Confident | 49 Ų | 49 | 57.9 Ų | 57.9 | 19% | 0.192 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -63.8 | -37.8 | 177.2 | -68.9 | -46.6 | 0 | 0 | 0 | 111.9 | E1092 A1093 M1098 L1099 T1100 T1115 L1118 Y1122 | E1092-Y1096 HydrophobicContact CG-CD2 4.16Å; E1092-Y1096 HydrophobicContact CG-CE2 3.5Å; E1092-Y1096 WeakPolarHBondContact O-CD2 3.38Å; E1092-Y1096 PolarHBondContact O-N 3Å; E1092-Y1096 WeakPolarHBondContact OE1-CE2 3.48Å; E1092-Y1096 PolarHBondContact OE1-OH 3.35Å; A1093-Y1096 PolarHBondContact O-N 2.83Å; Y1096-M1098 PolarHBondContact O-N 2.79Å; Y1096-L1099 PolarHBondContact O-N 3.23Å; Y1096-T1100 WeakPolarHBondContact O-CB 3.47Å; Y1096-T1100 PolarHBondContact O-N 3.3Å; Y1096-T1100 PolarHBondContact O-OG1 3.15Å; Y1096-T1100 VanDerWaalsContact O-OG1 3.05Å; Y1096-T1115 HydrophobicContact CD1-CG2 4.04Å; Y1096-L1118 HydrophobicContact CE1-CD1 4.31Å; Y1096-Y1122 HydrophobicContact CD2-CD2 4.33Å; Y1096-Y1122 AromaticContact CD2-CE2 3.65Å; Y1096-Y1122 HydrophobicContact CD2-CE2 3.65Å; Y1096-Y1122 AromaticContact CD2-CZ 3.97Å; Y1096-Y1122 AromaticContact CE2-CE2 3.72Å; Y1096-Y1122 HydrophobicContact CE2-CE2 3.72Å; Y1096-Y1122 AromaticContact CE2-CZ 3.75Å; Y1096-Y1122 WeakPolarHBondContact CE2-OH 3.37Å |
| 1097 | I | 87.7 | Confident | 88 | Confident | 10 Ų | 10 | 55.1 Ų | 55.1 | 5% | 0.051 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -57.8 | -50.6 | 171.5 | -79 | -173.4 | 0 | 0 | 0 | 111.2 | P987 A1093 Y1094 H1095 L1099 T1100 I1101 L1119 L1126 I1130 | P987-I1097 HydrophobicContact CB-CG2 4.1Å; P987-I1097 HydrophobicContact CG-CG2 4.18Å; A1093-I1097 PolarHBondContact O-N 3.24Å; A1093-I1097 VanDerWaalsContact O-N 3.17Å; Y1094-I1097 PolarHBondContact O-N 3.09Å; H1095-I1097 VanDerWaalsContact C-N 3.34Å; H1095-I1097 PolarHBondContact O-N 2.87Å; I1097-L1099 VanDerWaalsContact C-N 3.31Å; I1097-L1099 PolarHBondContact O-N 2.97Å; I1097-T1100 WeakPolarHBondContact O-CB 3.4Å; I1097-T1100 PolarHBondContact O-N 3.11Å; I1097-I1101 HydrophobicContact CG2-CD1 3.84Å; I1097-I1101 WeakPolarHBondContact O-CG1 3.29Å; I1097-I1101 PolarHBondContact O-N 3.18Å; I1097-L1119 HydrophobicContact CG1-CD1 3.93Å; I1097-L1119 HydrophobicContact CG1-CD2 3.84Å; I1097-L1126 HydrophobicContact CD1-CD1 3.52Å; I1097-L1126 HydrophobicContact CD1-CD2 3.41Å; I1097-L1126 VanDerWaalsContact CD1-CD2 3.41Å; I1097-L1126 HydrophobicContact CD1-CG 3.99Å; I1097-L1126 HydrophobicContact CG1-CD1 3.78Å; I1097-L1126 HydrophobicContact CG1-CD2 4.44Å; I1097-I1130 HydrophobicContact CD1-CG2 4.44Å |
| 1098 | M | 88.9 | Confident | 88.4 | Confident | 59 Ų | 59 | 57.8 Ų | 57.8 | 29% | 0.291 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -65.2 | -36.9 | -179.3 | -72.4 | 178.2 | 69 | 0 | 0 | 112.2 | P987 L988 K991 Y1094 H1095 Y1096 I1101 K1102 | P987-M1098 HydrophobicContact CB-CG 3.86Å; L988-M1098 HydrophobicContact CB-CE 3.96Å; L988-M1098 HydrophobicContact CB-SD 4.11Å; L988-M1098 HydrophobicContact CD1-CE 3.68Å; L988-M1098 HydrophobicContact CD1-SD 4.15Å; L988-M1098 HydrophobicContact CG-CE 4.36Å; K991-M1098 HydrophobicContact CB-SD 4.48Å; K991-M1098 HydrophobicContact CD-SD 4.14Å; Y1094-M1098 WeakPolarHBondContact O-CG 3.41Å; Y1094-M1098 PolarHBondContact O-N 3.41Å; H1095-M1098 PolarHBondContact O-N 3.38Å; Y1096-M1098 PolarHBondContact O-N 2.79Å; M1098-I1101 PolarHBondContact O-N 3.17Å; M1098-K1102 WeakPolarHBondContact O-CB 3.21Å; M1098-K1102 PolarHBondContact O-N 3.22Å |
| 1099 | L | 90.2 | Very high | 88.4 | Confident | 54 Ų | 54 | 59 Ų | 59 | 28% | 0.283 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -65.7 | -44 | 176.8 | -177.2 | 62.6 | 0 | 0 | 0 | 110.7 | H1095 Y1096 I1097 K1102 Q1103 T1115 | H1095-L1099 WeakPolarHBondContact O-CB 3.48Å; H1095-L1099 PolarHBondContact O-N 3.23Å; Y1096-L1099 PolarHBondContact O-N 3.23Å; I1097-L1099 VanDerWaalsContact C-N 3.31Å; I1097-L1099 PolarHBondContact O-N 2.97Å; L1099-K1102 PolarHBondContact O-N 2.87Å; L1099-Q1103 HydrophobicContact CD1-CG 4.33Å; L1099-Q1103 HydrophobicContact CG-CG 4.45Å; L1099-Q1103 WeakPolarHBondContact O-CB 3.23Å; L1099-Q1103 WeakPolarHBondContact O-CG 3.4Å; L1099-Q1103 PolarHBondContact O-N 2.87Å; L1099-T1115 HydrophobicContact CB-CG2 4.15Å; L1099-T1115 HydrophobicContact CD2-CG2 3.86Å; L1099-T1115 HydrophobicContact CG-CG2 4.06Å |
| 1100 | T | 89.3 | Confident | 88.4 | Confident | 0 Ų | 0 | 62.1 Ų | 62.1 | 0% | 0 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -56.6 | -50.8 | 171.7 | -66.2 | 0 | 0 | 0 | 0 | 111.2 | Y1096 I1097 K1102 Q1103 L1104 T1115 V1116 L1134 | Y1096-T1100 WeakPolarHBondContact O-CB 3.47Å; Y1096-T1100 PolarHBondContact O-N 3.3Å; Y1096-T1100 PolarHBondContact O-OG1 3.15Å; Y1096-T1100 VanDerWaalsContact O-OG1 3.05Å; I1097-T1100 WeakPolarHBondContact O-CB 3.4Å; I1097-T1100 PolarHBondContact O-N 3.11Å; T1100-K1102 VanDerWaalsContact C-N 3.31Å; T1100-K1102 PolarHBondContact O-N 3.07Å; T1100-Q1103 PolarHBondContact O-N 2.83Å; T1100-L1104 HydrophobicContact CG2-CD1 3.96Å; T1100-L1104 HydrophobicContact CG2-CG 4.45Å; T1100-L1104 WeakPolarHBondContact O-CB 3.25Å; T1100-L1104 WeakPolarHBondContact O-CG 3.49Å; T1100-L1104 PolarHBondContact O-N 2.81Å; T1100-T1115 WeakPolarHBondContact OG1-CG2 3.48Å; T1100-V1116 HydrophobicContact CG2-CG2 3.13Å; T1100-V1116 WeakPolarHBondContact OG1-CG2 3.36Å; T1100-L1134 HydrophobicContact CG2-CD1 4.47Å; T1100-L1134 HydrophobicContact CG2-CD2 4.2Å |
| 1101 | I | 86 | Confident | 88.6 | Confident | 63 Ų | 63 | 68.2 Ų | 68.2 | 32% | 0.323 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -59 | -45.3 | 179.5 | -69 | 166.9 | 0 | 0 | 0 | 110.1 | I1097 M1098 Q1103 L1104 Y1105 | I1097-I1101 HydrophobicContact CG2-CD1 3.84Å; I1097-I1101 WeakPolarHBondContact O-CG1 3.29Å; I1097-I1101 PolarHBondContact O-N 3.18Å; M1098-I1101 PolarHBondContact O-N 3.17Å; I1101-Q1103 PolarHBondContact O-N 3.33Å; I1101-L1104 WeakPolarHBondContact O-CB 3.44Å; I1101-L1104 PolarHBondContact O-N 2.88Å; I1101-Y1105 HydrophobicContact CG2-CD2 3.69Å; I1101-Y1105 HydrophobicContact CG2-CE2 3.73Å; I1101-Y1105 VanDerWaalsContact O-CD2 3.3Å; I1101-Y1105 WeakPolarHBondContact O-CD2 3.29Å; I1101-Y1105 PolarHBondContact O-N 2.59Å |
| 1102 | K | 89 | Confident | 88.5 | Confident | 135 Ų | 135 | 68 Ų | 68 | 59% | 0.587 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -63.5 | -40.9 | 177.7 | -173.7 | 176 | -179.1 | 177.7 | 0 | 112.4 | M1098 L1099 T1100 Y1105 N1106 | M1098-K1102 WeakPolarHBondContact O-CB 3.21Å; M1098-K1102 PolarHBondContact O-N 3.22Å; L1099-K1102 PolarHBondContact O-N 2.87Å; T1100-K1102 VanDerWaalsContact C-N 3.31Å; T1100-K1102 PolarHBondContact O-N 3.07Å; K1102-Y1105 PolarHBondContact O-N 3.04Å; K1102-N1106 WeakPolarHBondContact O-CB 3.48Å; K1102-N1106 VanDerWaalsContact O-CG 3.32Å; K1102-N1106 PolarHBondContact O-N 2.91Å |
| 1103 | Q | 90.8 | Very high | 88.5 | Confident | 26 Ų | 26 | 67.6 Ų | 67.6 | 12% | 0.121 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -66.9 | -38.9 | 177.6 | -73.3 | 167.2 | -12.7 | 0 | 0 | 111.5 | L1099 T1100 I1101 N1106 G1107 L1108 Y1111 A1112 T1115 | L1099-Q1103 HydrophobicContact CD1-CG 4.33Å; L1099-Q1103 HydrophobicContact CG-CG 4.45Å; L1099-Q1103 WeakPolarHBondContact O-CB 3.23Å; L1099-Q1103 WeakPolarHBondContact O-CG 3.4Å; L1099-Q1103 PolarHBondContact O-N 2.87Å; T1100-Q1103 PolarHBondContact O-N 2.83Å; I1101-Q1103 PolarHBondContact O-N 3.33Å; Q1103-N1106 PolarHBondContact O-N 2.81Å; Q1103-G1107 PolarHBondContact O-N 3.46Å; Q1103-L1108 HydrophobicContact CB-CB 4.36Å; Q1103-L1108 PolarHBondContact O-N 2.9Å; Q1103-Y1111 VanDerWaalsContact OE1-C 3.23Å; Q1103-Y1111 PolarHBondContact OE1-O 2.74Å; Q1103-Y1111 VanDerWaalsContact OE1-O 3.13Å; Q1103-A1112 HydrophobicContact CB-CB 3.8Å; Q1103-T1115 PolarHBondContact NE2-OG1 3.48Å; Q1103-T1115 PolarHBondContact OE1-OG1 3.07Å |
| 1104 | L | 88 | Confident | 88.5 | Confident | 35 Ų | 35 | 75.6 Ų | 75.6 | 18% | 0.183 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -60.6 | -49.5 | 172.5 | -80.4 | 170.2 | 0 | 0 | 0 | 111.6 | T1100 I1101 N1106 G1107 F1109 A1112 L1134 I1137 N1138 | T1100-L1104 HydrophobicContact CG2-CD1 3.96Å; T1100-L1104 HydrophobicContact CG2-CG 4.45Å; T1100-L1104 WeakPolarHBondContact O-CB 3.25Å; T1100-L1104 WeakPolarHBondContact O-CG 3.49Å; T1100-L1104 PolarHBondContact O-N 2.81Å; I1101-L1104 WeakPolarHBondContact O-CB 3.44Å; I1101-L1104 PolarHBondContact O-N 2.88Å; L1104-N1106 VanDerWaalsContact C-N 3.26Å; L1104-N1106 PolarHBondContact O-N 2.86Å; L1104-G1107 PolarHBondContact O-N 2.8Å; L1104-G1107 VanDerWaalsContact O-N 3.1Å; L1104-F1109 HydrophobicContact CD2-CD1 4.13Å; L1104-F1109 HydrophobicContact CD2-CE1 4.42Å; L1104-A1112 HydrophobicContact CD2-CB 4.12Å; L1104-A1112 HydrophobicContact CG-CB 3.94Å; L1104-L1134 HydrophobicContact CD1-CD2 4.26Å; L1104-I1137 HydrophobicContact CD1-CG2 4.42Å; L1104-I1137 HydrophobicContact CD2-CG2 4.44Å; L1104-N1138 WeakPolarHBondContact CD2-OD1 3.33Å |
| 1105 | Y | 86.8 | Confident | 88.4 | Confident | 202 Ų | 202 | 74.8 Ų | 74.8 | 79% | 0.792 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -63 | -30.3 | 177.4 | -88.6 | -74.6 | 0 | 0 | 0 | 113.4 | I1101 K1102 G1107 | I1101-Y1105 HydrophobicContact CG2-CD2 3.69Å; I1101-Y1105 HydrophobicContact CG2-CE2 3.73Å; I1101-Y1105 VanDerWaalsContact O-CD2 3.3Å; I1101-Y1105 WeakPolarHBondContact O-CD2 3.29Å; I1101-Y1105 PolarHBondContact O-N 2.59Å; K1102-Y1105 PolarHBondContact O-N 3.04Å; Y1105-G1107 VanDerWaalsContact C-N 3.28Å; Y1105-G1107 PolarHBondContact O-N 2.77Å |
| 1106 | N | 90.2 | Very high | 88.2 | Confident | 105 Ų | 105 | 71.2 Ų | 71.2 | 56% | 0.561 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.6 | 3.9 | 176.9 | -73.2 | -5.2 | 0 | 0 | 0 | 113.8 | K1102 Q1103 L1104 L1108 | K1102-N1106 WeakPolarHBondContact O-CB 3.48Å; K1102-N1106 VanDerWaalsContact O-CG 3.32Å; K1102-N1106 PolarHBondContact O-N 2.91Å; Q1103-N1106 PolarHBondContact O-N 2.81Å; L1104-N1106 VanDerWaalsContact C-N 3.26Å; L1104-N1106 PolarHBondContact O-N 2.86Å; N1106-L1108 HydrophobicContact CB-CD1 4.14Å; N1106-L1108 HydrophobicContact CB-CG 4.17Å; N1106-L1108 PolarHBondContact O-N 2.85Å |
| 1107 | G | 85.3 | Confident | 88 | Confident | 41 Ų | 41 | 73.6 Ų | 73.6 | 42% | 0.423 | 35% | 0.346 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 69.3 | 16.7 | -178 | 0 | 0 | 0 | 0 | 0 | 114.4 | Q1103 L1104 Y1105 F1109 | Q1103-G1107 PolarHBondContact O-N 3.46Å; L1104-G1107 PolarHBondContact O-N 2.8Å; L1104-G1107 VanDerWaalsContact O-N 3.1Å; Y1105-G1107 VanDerWaalsContact C-N 3.28Å; Y1105-G1107 PolarHBondContact O-N 2.77Å; G1107-F1109 VanDerWaalsContact C-N 3.31Å; G1107-F1109 VanDerWaalsContact O-CD2 3.31Å; G1107-F1109 WeakPolarHBondContact O-CD2 3.47Å; G1107-F1109 PolarHBondContact O-N 2.97Å |
| 1108 | L | 89.6 | Confident | 88 | Confident | 76 Ų | 76 | 77.1 Ų | 77.1 | 40% | 0.398 | 37% | 0.365 | S | S | . | . | trans | -90.7 | 56.3 | -177.8 | -67.6 | 175.5 | 0 | 0 | 0 | 111.1 | Q1103 N1106 N1110 Y1111 A1112 | Q1103-L1108 HydrophobicContact CB-CB 4.36Å; Q1103-L1108 PolarHBondContact O-N 2.9Å; N1106-L1108 HydrophobicContact CB-CD1 4.14Å; N1106-L1108 HydrophobicContact CB-CG 4.17Å; N1106-L1108 PolarHBondContact O-N 2.85Å; L1108-N1110 PolarHBondContact O-N 2.92Å; L1108-Y1111 HydrophobicContact CB-CD2 4.02Å; L1108-Y1111 HydrophobicContact CD2-CD2 4.1Å; L1108-Y1111 HydrophobicContact CD2-CE2 4.32Å; L1108-Y1111 HydrophobicContact CG-CD2 4.46Å; L1108-Y1111 PolarHBondContact O-N 3.26Å; L1108-A1112 PolarHBondContact O-N 3.02Å | ||
| 1109 | F | 87 | Confident | 87.8 | Confident | 125 Ų | 125 | 74.3 Ų | 74.3 | 55% | 0.548 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -55.8 | -41.7 | -170.8 | -54.7 | -71.8 | 0 | 0 | 0 | 114 | L1104 G1107 Y1111 A1112 F1113 | L1104-F1109 HydrophobicContact CD2-CD1 4.13Å; L1104-F1109 HydrophobicContact CD2-CE1 4.42Å; G1107-F1109 VanDerWaalsContact C-N 3.31Å; G1107-F1109 VanDerWaalsContact O-CD2 3.31Å; G1107-F1109 WeakPolarHBondContact O-CD2 3.47Å; G1107-F1109 PolarHBondContact O-N 2.97Å; F1109-Y1111 VanDerWaalsContact C-N 3.29Å; F1109-Y1111 PolarHBondContact O-N 2.81Å; F1109-A1112 PolarHBondContact O-N 3.1Å; F1109-F1113 WeakPolarHBondContact O-CB 3.46Å; F1109-F1113 PolarHBondContact O-N 3.37Å |
| 1110 | N | 87.2 | Confident | 87.5 | Confident | 135 Ų | 135 | 76.9 Ų | 76.9 | 72% | 0.722 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -61.5 | -35.9 | 176.9 | -80.4 | -31.7 | 0 | 0 | 0 | 113.1 | L1108 R1114 | L1108-N1110 PolarHBondContact O-N 2.92Å; N1110-R1114 WeakPolarHBondContact O-CG 3.29Å; N1110-R1114 PolarHBondContact O-N 2.86Å |
| 1111 | Y | 88.4 | Confident | 87.3 | Confident | 132 Ų | 132 | 82.3 Ų | 82.3 | 52% | 0.518 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -76.8 | -41.7 | 176.8 | -67 | -78 | 0 | 0 | 0 | 110.8 | Q1103 L1108 F1109 F1113 R1114 T1115 | Q1103-Y1111 VanDerWaalsContact OE1-C 3.23Å; Q1103-Y1111 PolarHBondContact OE1-O 2.74Å; Q1103-Y1111 VanDerWaalsContact OE1-O 3.13Å; L1108-Y1111 HydrophobicContact CB-CD2 4.02Å; L1108-Y1111 HydrophobicContact CD2-CD2 4.1Å; L1108-Y1111 HydrophobicContact CD2-CE2 4.32Å; L1108-Y1111 HydrophobicContact CG-CD2 4.46Å; L1108-Y1111 PolarHBondContact O-N 3.26Å; F1109-Y1111 VanDerWaalsContact C-N 3.29Å; F1109-Y1111 PolarHBondContact O-N 2.81Å; Y1111-F1113 VanDerWaalsContact C-N 3.33Å; Y1111-F1113 PolarHBondContact O-N 3.09Å; Y1111-R1114 PolarHBondContact O-N 2.89Å; Y1111-T1115 PolarHBondContact O-N 2.91Å; Y1111-T1115 PolarHBondContact O-OG1 2.93Å |
| 1112 | A | 86.9 | Confident | 87.3 | Confident | 0 Ų | 0 | 80.3 Ų | 80.3 | 0% | 0 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -55.9 | -47.3 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | Q1103 L1104 L1108 F1109 R1114 T1115 V1116 N1138 | Q1103-A1112 HydrophobicContact CB-CB 3.8Å; L1104-A1112 HydrophobicContact CD2-CB 4.12Å; L1104-A1112 HydrophobicContact CG-CB 3.94Å; L1108-A1112 PolarHBondContact O-N 3.02Å; F1109-A1112 PolarHBondContact O-N 3.1Å; A1112-R1114 PolarHBondContact O-N 2.89Å; A1112-T1115 PolarHBondContact O-N 3.21Å; A1112-V1116 VanDerWaalsContact O-CG2 3.28Å; A1112-V1116 WeakPolarHBondContact O-CG2 3.33Å; A1112-V1116 PolarHBondContact O-N 3.11Å; A1112-N1138 WeakPolarHBondContact CB-OD1 3.3Å |
| 1113 | F | 88.6 | Confident | 86.8 | Confident | 66 Ų | 66 | 75.6 Ų | 75.6 | 29% | 0.289 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -59.5 | -43.5 | 177.1 | -174.2 | -101.3 | 0 | 0 | 0 | 112.9 | F1109 Y1111 V1116 Q1117 N1138 L1139 | F1109-F1113 WeakPolarHBondContact O-CB 3.46Å; F1109-F1113 PolarHBondContact O-N 3.37Å; Y1111-F1113 VanDerWaalsContact C-N 3.33Å; Y1111-F1113 PolarHBondContact O-N 3.09Å; F1113-V1116 PolarHBondContact O-N 2.8Å; F1113-Q1117 HydrophobicContact CE1-CG 4.28Å; F1113-Q1117 PolarHBondContact O-N 2.85Å; F1113-N1138 HydrophobicContact CB-CB 4.25Å; F1113-N1138 HydrophobicContact CD2-CB 3.93Å; F1113-L1139 HydrophobicContact CE2-CD2 4.45Å; F1113-L1139 HydrophobicContact CE2-CG 4.36Å |
| 1114 | R | 88.4 | Confident | 86.2 | Confident | 169 Ų | 169 | 77.9 Ų | 77.9 | 64% | 0.638 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -63.7 | -42.8 | 175.9 | -72.9 | 179.5 | -177.2 | -176.7 | 1.5 | 112.2 | N1110 Y1111 A1112 V1116 Q1117 L1118 | N1110-R1114 WeakPolarHBondContact O-CG 3.29Å; N1110-R1114 PolarHBondContact O-N 2.86Å; Y1111-R1114 PolarHBondContact O-N 2.89Å; A1112-R1114 PolarHBondContact O-N 2.89Å; R1114-V1116 VanDerWaalsContact C-N 3.33Å; R1114-V1116 PolarHBondContact O-N 2.87Å; R1114-Q1117 PolarHBondContact O-N 3.06Å; R1114-L1118 PolarHBondContact O-N 2.76Å |
| 1115 | T | 87.1 | Confident | 85.8 | Confident | 12 Ų | 12 | 77.3 Ų | 77.3 | 7% | 0.074 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -65.1 | -38.1 | 177.5 | -50.8 | 0 | 0 | 0 | 0 | 111.3 | Y1096 L1099 T1100 Q1103 Y1111 A1112 Q1117 L1118 L1119 | Y1096-T1115 HydrophobicContact CD1-CG2 4.04Å; L1099-T1115 HydrophobicContact CB-CG2 4.15Å; L1099-T1115 HydrophobicContact CD2-CG2 3.86Å; L1099-T1115 HydrophobicContact CG-CG2 4.06Å; T1100-T1115 WeakPolarHBondContact OG1-CG2 3.48Å; Q1103-T1115 PolarHBondContact NE2-OG1 3.48Å; Q1103-T1115 PolarHBondContact OE1-OG1 3.07Å; Y1111-T1115 PolarHBondContact O-N 2.91Å; Y1111-T1115 PolarHBondContact O-OG1 2.93Å; A1112-T1115 PolarHBondContact O-N 3.21Å; T1115-Q1117 VanDerWaalsContact C-N 3.35Å; T1115-Q1117 PolarHBondContact O-N 2.88Å; T1115-L1118 WeakPolarHBondContact O-CB 3.49Å; T1115-L1118 PolarHBondContact O-N 3.35Å; T1115-L1119 PolarHBondContact O-N 3.37Å |
| 1116 | V | 87 | Confident | 85.6 | Confident | 1 Ų | 1 | 68 Ų | 68 | 1% | 0.006 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -67.6 | -32.7 | 175.3 | 176.1 | 0 | 0 | 0 | 0 | 112.5 | T1100 A1112 F1113 R1114 L1118 L1119 L1134 I1135 | T1100-V1116 HydrophobicContact CG2-CG2 3.13Å; T1100-V1116 WeakPolarHBondContact OG1-CG2 3.36Å; A1112-V1116 VanDerWaalsContact O-CG2 3.28Å; A1112-V1116 WeakPolarHBondContact O-CG2 3.33Å; A1112-V1116 PolarHBondContact O-N 3.11Å; F1113-V1116 PolarHBondContact O-N 2.8Å; R1114-V1116 VanDerWaalsContact C-N 3.33Å; R1114-V1116 PolarHBondContact O-N 2.87Å; V1116-L1118 PolarHBondContact O-N 2.89Å; V1116-L1119 HydrophobicContact CG2-CD1 4.33Å; V1116-L1119 VanDerWaalsContact O-CB 3.32Å; V1116-L1119 WeakPolarHBondContact O-CB 3.45Å; V1116-L1119 PolarHBondContact O-N 3.22Å; V1116-L1134 HydrophobicContact CG1-CB 4.13Å; V1116-L1134 HydrophobicContact CG2-CB 4.08Å; V1116-I1135 HydrophobicContact CG1-CB 4.21Å; V1116-I1135 HydrophobicContact CG1-CD1 4.29Å; V1116-I1135 HydrophobicContact CG1-CG1 3.25Å |
| 1117 | Q | 86.4 | Confident | 85 | Confident | 99 Ų | 99 | 67.5 Ų | 67.5 | 46% | 0.463 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -60.6 | -36 | 173.9 | -76.3 | -171.4 | -20.2 | 0 | 0 | 112.4 | F1113 R1114 T1115 L1119 K1120 | F1113-Q1117 HydrophobicContact CE1-CG 4.28Å; F1113-Q1117 PolarHBondContact O-N 2.85Å; R1114-Q1117 PolarHBondContact O-N 3.06Å; T1115-Q1117 VanDerWaalsContact C-N 3.35Å; T1115-Q1117 PolarHBondContact O-N 2.88Å; Q1117-L1119 VanDerWaalsContact C-N 3.28Å; Q1117-L1119 PolarHBondContact O-N 2.89Å; Q1117-K1120 WeakPolarHBondContact O-CB 3.46Å; Q1117-K1120 PolarHBondContact O-N 2.73Å |
| 1118 | L | 86.5 | Confident | 84.9 | Confident | 84 Ų | 84 | 68.6 Ų | 68.6 | 44% | 0.44 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -66.9 | -28.9 | 174.2 | -64.1 | 169.7 | 0 | 0 | 0 | 112.4 | Y1096 R1114 T1115 V1116 K1120 D1121 Y1122 | Y1096-L1118 HydrophobicContact CE1-CD1 4.31Å; R1114-L1118 PolarHBondContact O-N 2.76Å; T1115-L1118 WeakPolarHBondContact O-CB 3.49Å; T1115-L1118 PolarHBondContact O-N 3.35Å; V1116-L1118 PolarHBondContact O-N 2.89Å; L1118-K1120 PolarHBondContact O-N 2.92Å; L1118-K1120 VanDerWaalsContact O-N 3.13Å; L1118-D1121 PolarHBondContact O-N 2.98Å; L1118-Y1122 VanDerWaalsContact O-CD2 3.31Å; L1118-Y1122 WeakPolarHBondContact O-CD2 3.19Å; L1118-Y1122 WeakPolarHBondContact O-CE2 3.24Å |
| 1119 | L | 85.8 | Confident | 84.5 | Confident | 0 Ų | 0 | 71.3 Ų | 71.3 | 0% | 0 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -62.5 | -19.1 | 177.5 | -72.4 | 172.5 | 0 | 0 | 0 | 113.2 | I1097 T1115 V1116 Q1117 D1121 Y1122 L1126 I1131 L1134 | I1097-L1119 HydrophobicContact CG1-CD1 3.93Å; I1097-L1119 HydrophobicContact CG1-CD2 3.84Å; T1115-L1119 PolarHBondContact O-N 3.37Å; V1116-L1119 HydrophobicContact CG2-CD1 4.33Å; V1116-L1119 VanDerWaalsContact O-CB 3.32Å; V1116-L1119 WeakPolarHBondContact O-CB 3.45Å; V1116-L1119 PolarHBondContact O-N 3.22Å; Q1117-L1119 VanDerWaalsContact C-N 3.28Å; Q1117-L1119 PolarHBondContact O-N 2.89Å; L1119-D1121 PolarHBondContact O-N 2.87Å; L1119-Y1122 PolarHBondContact O-N 3.02Å; L1119-Y1122 VanDerWaalsContact O-N 3.15Å; L1119-L1126 HydrophobicContact CD2-CD1 3.6Å; L1119-I1131 HydrophobicContact CB-CG1 4.3Å; L1119-I1131 HydrophobicContact CB-CG2 4Å; L1119-I1131 VanDerWaalsContact O-CD1 3.26Å; L1119-I1131 WeakPolarHBondContact O-CD1 3.29Å; L1119-L1134 HydrophobicContact CD1-CD1 4.17Å |
| 1120 | K | 83.2 | Confident | 84.3 | Confident | 109 Ų | 109 | 69 Ų | 69 | 47% | 0.474 | 35% | 0.345 | S | S | . | . | G | 310 helix | trans | -60.3 | -30.3 | 176.3 | -69.2 | -176.4 | 176.7 | -178.6 | 0 | 113 | Q1117 L1118 Y1122 I1131 I1135 | Q1117-K1120 WeakPolarHBondContact O-CB 3.46Å; Q1117-K1120 PolarHBondContact O-N 2.73Å; L1118-K1120 PolarHBondContact O-N 2.92Å; L1118-K1120 VanDerWaalsContact O-N 3.13Å; K1120-Y1122 PolarHBondContact O-N 2.96Å; K1120-I1131 HydrophobicContact CG-CG2 4.41Å; K1120-I1135 HydrophobicContact CD-CD1 4.47Å; K1120-I1135 HydrophobicContact CG-CD1 4.27Å |
| 1121 | D | 84.8 | Confident | 84 | Confident | 113 Ų | 113 | 62.9 Ų | 62.9 | 60% | 0.604 | 31% | 0.312 | S | S | * | . | G | 310 helix | trans | -79.7 | -4 | -179.1 | -64.2 | -21.4 | 0 | 0 | 0 | 113.5 | R1089 L1118 L1119 | R1089-D1121 PolarHBondContact NH2-O 2.83Å; L1118-D1121 PolarHBondContact O-N 2.98Å; L1119-D1121 PolarHBondContact O-N 2.87Å |
| 1122 | Y | 86.2 | Confident | 83.8 | Confident | 22 Ų | 22 | 63.6 Ų | 63.6 | 9% | 0.086 | 31% | 0.314 | C | S | . | . | G | 310 helix | trans | -111 | 20.6 | -179.6 | -59.5 | -88.2 | 0 | 0 | 0 | 112.9 | R1089 E1092 A1093 Y1096 L1118 L1119 K1120 D1124 I1125 L1126 | R1089-Y1122 HydrophobicContact CG-CD1 4.07Å; R1089-Y1122 HydrophobicContact CG-CE1 3.74Å; E1092-Y1122 HydrophobicContact CB-CE1 4.21Å; E1092-Y1122 HydrophobicContact CG-CE1 4.45Å; E1092-Y1122 PolarHBondContact OE1-OH 3.24Å; E1092-Y1122 VanDerWaalsContact OE1-OH 3.1Å; E1092-Y1122 PolarHBondContact OE2-OH 2.94Å; A1093-Y1122 HydrophobicContact CB-CD1 3.49Å; A1093-Y1122 VanDerWaalsContact CB-CD1 3.49Å; A1093-Y1122 HydrophobicContact CB-CE1 4.25Å; A1093-Y1122 HydrophobicContact CB-CG 3.78Å; Y1096-Y1122 HydrophobicContact CD2-CD2 4.33Å; Y1096-Y1122 AromaticContact CD2-CE2 3.65Å; Y1096-Y1122 HydrophobicContact CD2-CE2 3.65Å; Y1096-Y1122 AromaticContact CD2-CZ 3.97Å; Y1096-Y1122 AromaticContact CE2-CE2 3.72Å; Y1096-Y1122 HydrophobicContact CE2-CE2 3.72Å; Y1096-Y1122 AromaticContact CE2-CZ 3.75Å; Y1096-Y1122 WeakPolarHBondContact CE2-OH 3.37Å; L1118-Y1122 VanDerWaalsContact O-CD2 3.31Å; L1118-Y1122 WeakPolarHBondContact O-CD2 3.19Å; L1118-Y1122 WeakPolarHBondContact O-CE2 3.24Å; L1119-Y1122 PolarHBondContact O-N 3.02Å; L1119-Y1122 VanDerWaalsContact O-N 3.15Å; K1120-Y1122 PolarHBondContact O-N 2.96Å; Y1122-D1124 PolarHBondContact O-N 2.93Å; Y1122-D1124 VanDerWaalsContact O-N 3.15Å; Y1122-I1125 HydrophobicContact CD1-CD1 4.45Å; Y1122-I1125 PolarHBondContact O-N 3.02Å; Y1122-L1126 PolarHBondContact O-N 2.84Å |
| 1123 | G | 78 | Confident | 83.6 | Confident | 35 Ų | 35 | 66 Ų | 66 | 36% | 0.361 | 33% | 0.331 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.5 | -13.6 | 178.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||
| 1124 | D | 78.5 | Confident | 83.2 | Confident | 75 Ų | 75 | 63.7 Ų | 63.7 | 40% | 0.401 | 32% | 0.322 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.4 | -16.4 | 170.8 | 63 | -31 | 0 | 0 | 0 | 113.2 | R1082 R1089 Y1122 | R1082-D1124 IonicContact NH1-OD2 3.12Å; R1089-D1124 IonicContact CZ-OD1 2.78Å; R1089-D1124 IonicContact CZ-OD2 2.69Å; R1089-D1124 IonicContact NH1-OD2 3.8Å; R1089-D1124 PolarHBondContact NH1-OD2 3.08Å; R1089-D1124 IonicContact NH2-OD1 2.67Å; R1089-D1124 PolarHBondContact NH2-OD1 3.03Å; R1089-D1124 IonicContact NH2-OD2 3.88Å; Y1122-D1124 PolarHBondContact O-N 2.93Å; Y1122-D1124 VanDerWaalsContact O-N 3.15Å |
| 1125 | I | 80.3 | Confident | 82.7 | Confident | 23 Ų | 23 | 56.8 Ų | 56.8 | 12% | 0.118 | 30% | 0.297 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -107.6 | -45.2 | 178.8 | -55 | -176.5 | 0 | 0 | 0 | 111 | K980 R1089 A1093 Y1094 Y1122 | K980-I1125 WeakPolarHBondContact CE-O 3.38Å; K980-I1125 PolarHBondContact NZ-O 2.9Å; R1089-I1125 HydrophobicContact CB-CD1 4.23Å; R1089-I1125 HydrophobicContact CG-CD1 3.89Å; A1093-I1125 HydrophobicContact CB-CB 4.32Å; A1093-I1125 HydrophobicContact CB-CD1 4.42Å; A1093-I1125 HydrophobicContact CB-CG2 4.09Å; Y1094-I1125 HydrophobicContact CE2-CG2 4.39Å; Y1122-I1125 HydrophobicContact CD1-CD1 4.45Å; Y1122-I1125 PolarHBondContact O-N 3.02Å |
| 1126 | L | 81.5 | Confident | 82.5 | Confident | 7 Ų | 7 | 61.8 Ų | 61.8 | 4% | 0.037 | 32% | 0.324 | C | S | . | . | S | Bend | trans | -100.2 | 146.9 | -175.2 | -63 | 169.9 | 0 | 0 | 0 | 110.7 | A1093 Y1094 I1097 L1119 Y1122 P1128 I1131 | A1093-L1126 HydrophobicContact CB-CD1 3.9Å; A1093-L1126 HydrophobicContact CB-CG 4.06Å; Y1094-L1126 HydrophobicContact CD1-CD2 4.28Å; Y1094-L1126 HydrophobicContact CD2-CD2 4.18Å; Y1094-L1126 HydrophobicContact CE1-CD2 3.97Å; Y1094-L1126 HydrophobicContact CE2-CD2 3.83Å; Y1094-L1126 HydrophobicContact CG-CD2 4.4Å; I1097-L1126 HydrophobicContact CD1-CD1 3.52Å; I1097-L1126 HydrophobicContact CD1-CD2 3.41Å; I1097-L1126 VanDerWaalsContact CD1-CD2 3.41Å; I1097-L1126 HydrophobicContact CD1-CG 3.99Å; I1097-L1126 HydrophobicContact CG1-CD1 3.78Å; I1097-L1126 HydrophobicContact CG1-CD2 4.44Å; L1119-L1126 HydrophobicContact CD2-CD1 3.6Å; Y1122-L1126 PolarHBondContact O-N 2.84Å; L1126-P1128 VanDerWaalsContact O-CD 3.29Å; L1126-P1128 WeakPolarHBondContact O-CD 3.27Å; L1126-P1128 VanDerWaalsContact O-N 3.17Å; L1126-I1131 HydrophobicContact CB-CD1 3.94Å; L1126-I1131 HydrophobicContact CB-CG1 4.17Å |
| 1127 | N | 79.2 | Confident | 81.9 | Confident | 94 Ų | 94 | 67 Ų | 67 | 50% | 0.503 | 35% | 0.35 | S | S | . | . | trans | -60.3 | 120.7 | 175.4 | -175.8 | -18.9 | 0 | 0 | 0 | 108.8 | L1129 I1130 I1131 | N1127-L1129 PolarHBondContact O-N 2.79Å; N1127-L1129 WeakPolarHBondContact OD1-CB 3.07Å; N1127-L1129 PolarHBondContact OD1-N 3.22Å; N1127-I1130 HydrophobicContact CB-CD1 4.01Å; N1127-I1130 HydrophobicContact CB-CG1 4.12Å; N1127-I1130 WeakPolarHBondContact O-CB 3.32Å; N1127-I1130 PolarHBondContact O-N 3.22Å; N1127-I1131 PolarHBondContact O-N 3.25Å | ||
| 1128 | P | 81.7 | Confident | 80.9 | Confident | 64 Ų | 64 | 63.2 Ų | 63.2 | 42% | 0.416 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -52.3 | -33.4 | 179.9 | -27.1 | 34.5 | 0 | 0 | 0 | 112.6 | L1126 I1130 I1131 Y1132 | L1126-P1128 VanDerWaalsContact O-CD 3.29Å; L1126-P1128 WeakPolarHBondContact O-CD 3.27Å; L1126-P1128 VanDerWaalsContact O-N 3.17Å; P1128-I1130 VanDerWaalsContact C-N 3.3Å; P1128-I1130 PolarHBondContact O-N 3.05Å; P1128-I1131 PolarHBondContact O-N 2.85Å; P1128-I1131 VanDerWaalsContact O-N 3.16Å; P1128-Y1132 HydrophobicContact CB-CD2 4.24Å; P1128-Y1132 HydrophobicContact CB-CE2 4.1Å; P1128-Y1132 WeakPolarHBondContact O-CD2 3.37Å; P1128-Y1132 PolarHBondContact O-N 2.96Å |
| 1129 | L | 82.2 | Confident | 80 | Confident | 132 Ų | 132 | 67 Ų | 67 | 69% | 0.691 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -59.9 | -38.4 | 178 | -154.6 | 99.1 | 0 | 0 | 0 | 112.5 | N1127 S1133 | N1127-L1129 PolarHBondContact O-N 2.79Å; N1127-L1129 WeakPolarHBondContact OD1-CB 3.07Å; N1127-L1129 PolarHBondContact OD1-N 3.22Å; L1129-S1133 WeakPolarHBondContact O-CB 3.41Å; L1129-S1133 PolarHBondContact O-N 2.91Å; L1129-S1133 PolarHBondContact O-OG 2.86Å; L1129-S1133 VanDerWaalsContact O-OG 3.13Å |
| 1130 | I | 81.6 | Confident | 79.7 | Confident | 78 Ų | 78 | 70.3 Ų | 70.3 | 40% | 0.4 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -70.4 | -38.9 | 177.5 | -61.5 | 173.9 | 0 | 0 | 0 | 110.4 | I1097 N1127 P1128 S1133 L1134 | I1097-I1130 HydrophobicContact CD1-CG2 4.44Å; N1127-I1130 HydrophobicContact CB-CD1 4.01Å; N1127-I1130 HydrophobicContact CB-CG1 4.12Å; N1127-I1130 WeakPolarHBondContact O-CB 3.32Å; N1127-I1130 PolarHBondContact O-N 3.22Å; P1128-I1130 VanDerWaalsContact C-N 3.3Å; P1128-I1130 PolarHBondContact O-N 3.05Å; I1130-S1133 WeakPolarHBondContact CA-OG 3.34Å; I1130-S1133 PolarHBondContact O-OG 2.85Å; I1130-S1133 VanDerWaalsContact O-OG 3.06Å; I1130-L1134 HydrophobicContact CG2-CD1 4.14Å; I1130-L1134 WeakPolarHBondContact O-CB 3.38Å; I1130-L1134 WeakPolarHBondContact O-CG 3.32Å; I1130-L1134 PolarHBondContact O-N 3.47Å |
| 1131 | I | 81.9 | Confident | 79.5 | Confident | 5 Ų | 5 | 68.3 Ų | 68.3 | 3% | 0.026 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -63.8 | -48.6 | 177.4 | -60.9 | 166.1 | 0 | 0 | 0 | 109.3 | L1119 K1120 L1126 N1127 P1128 L1134 I1135 | L1119-I1131 HydrophobicContact CB-CG1 4.3Å; L1119-I1131 HydrophobicContact CB-CG2 4Å; L1119-I1131 VanDerWaalsContact O-CD1 3.26Å; L1119-I1131 WeakPolarHBondContact O-CD1 3.29Å; K1120-I1131 HydrophobicContact CG-CG2 4.41Å; L1126-I1131 HydrophobicContact CB-CD1 3.94Å; L1126-I1131 HydrophobicContact CB-CG1 4.17Å; N1127-I1131 PolarHBondContact O-N 3.25Å; P1128-I1131 PolarHBondContact O-N 2.85Å; P1128-I1131 VanDerWaalsContact O-N 3.16Å; I1131-L1134 PolarHBondContact O-N 3.16Å; I1131-I1135 HydrophobicContact CG2-CD1 4.2Å; I1131-I1135 WeakPolarHBondContact O-CG1 3.5Å; I1131-I1135 PolarHBondContact O-N 3.21Å |
| 1132 | Y | 84.6 | Confident | 79.2 | Confident | 147 Ų | 147 | 65.8 Ų | 65.8 | 58% | 0.576 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -69.9 | -33.1 | -178.9 | -69.9 | -65.1 | 0 | 0 | 0 | 113.3 | P1128 I1135 D1136 | P1128-Y1132 HydrophobicContact CB-CD2 4.24Å; P1128-Y1132 HydrophobicContact CB-CE2 4.1Å; P1128-Y1132 WeakPolarHBondContact O-CD2 3.37Å; P1128-Y1132 PolarHBondContact O-N 2.96Å; Y1132-I1135 HydrophobicContact CD1-CD1 3.86Å; Y1132-I1135 HydrophobicContact CE1-CD1 4.25Å; Y1132-I1135 WeakPolarHBondContact O-CB 3.43Å; Y1132-I1135 PolarHBondContact O-N 2.98Å; Y1132-D1136 PolarHBondContact O-N 3.42Å |
| 1133 | S | 82.3 | Confident | 78.8 | Confident | 51 Ų | 51 | 68.4 Ų | 68.4 | 36% | 0.357 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -69.4 | -36.2 | 173.3 | 63.7 | 0 | 0 | 0 | 0 | 112.7 | L1129 I1130 I1135 D1136 I1137 | L1129-S1133 WeakPolarHBondContact O-CB 3.41Å; L1129-S1133 PolarHBondContact O-N 2.91Å; L1129-S1133 PolarHBondContact O-OG 2.86Å; L1129-S1133 VanDerWaalsContact O-OG 3.13Å; I1130-S1133 WeakPolarHBondContact CA-OG 3.34Å; I1130-S1133 PolarHBondContact O-OG 2.85Å; I1130-S1133 VanDerWaalsContact O-OG 3.06Å; S1133-I1135 VanDerWaalsContact C-N 3.28Å; S1133-I1135 PolarHBondContact O-N 3.32Å; S1133-D1136 PolarHBondContact O-N 2.88Å; S1133-I1137 VanDerWaalsContact O-CG1 3.32Å; S1133-I1137 WeakPolarHBondContact O-CG1 3.46Å; S1133-I1137 PolarHBondContact O-N 3.38Å |
| 1134 | L | 79.6 | Confident | 78.8 | Confident | 18 Ų | 18 | 70.4 Ų | 70.4 | 9% | 0.094 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -67.1 | -29.7 | 171.4 | -74.1 | 171.3 | 0 | 0 | 0 | 112.2 | T1100 L1104 V1116 L1119 I1130 I1131 N1138 | T1100-L1134 HydrophobicContact CG2-CD1 4.47Å; T1100-L1134 HydrophobicContact CG2-CD2 4.2Å; L1104-L1134 HydrophobicContact CD1-CD2 4.26Å; V1116-L1134 HydrophobicContact CG1-CB 4.13Å; V1116-L1134 HydrophobicContact CG2-CB 4.08Å; L1119-L1134 HydrophobicContact CD1-CD1 4.17Å; I1130-L1134 HydrophobicContact CG2-CD1 4.14Å; I1130-L1134 WeakPolarHBondContact O-CB 3.38Å; I1130-L1134 WeakPolarHBondContact O-CG 3.32Å; I1130-L1134 PolarHBondContact O-N 3.47Å; I1131-L1134 PolarHBondContact O-N 3.16Å; L1134-N1138 PolarHBondContact O-N 3.17Å; L1134-N1138 PolarHBondContact O-ND2 2.98Å |
| 1135 | I | 79.2 | Confident | 78.8 | Confident | 23 Ų | 23 | 70.1 Ų | 70.1 | 12% | 0.118 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -66.6 | -46.3 | 171 | -67.7 | 166.5 | 0 | 0 | 0 | 109.5 | V1116 K1120 I1131 Y1132 S1133 I1137 N1138 L1139 | V1116-I1135 HydrophobicContact CG1-CB 4.21Å; V1116-I1135 HydrophobicContact CG1-CD1 4.29Å; V1116-I1135 HydrophobicContact CG1-CG1 3.25Å; K1120-I1135 HydrophobicContact CD-CD1 4.47Å; K1120-I1135 HydrophobicContact CG-CD1 4.27Å; I1131-I1135 HydrophobicContact CG2-CD1 4.2Å; I1131-I1135 WeakPolarHBondContact O-CG1 3.5Å; I1131-I1135 PolarHBondContact O-N 3.21Å; Y1132-I1135 HydrophobicContact CD1-CD1 3.86Å; Y1132-I1135 HydrophobicContact CE1-CD1 4.25Å; Y1132-I1135 WeakPolarHBondContact O-CB 3.43Å; Y1132-I1135 PolarHBondContact O-N 2.98Å; S1133-I1135 VanDerWaalsContact C-N 3.28Å; S1133-I1135 PolarHBondContact O-N 3.32Å; I1135-I1137 PolarHBondContact O-N 3.36Å; I1135-N1138 PolarHBondContact O-N 2.82Å; I1135-L1139 HydrophobicContact CG2-CD1 3.91Å; I1135-L1139 PolarHBondContact O-N 3.47Å; I1135-L1139 VanDerWaalsContact O-N 3.16Å |
| 1136 | D | 81.1 | Confident | 78.7 | Confident | 117 Ų | 117 | 73.5 Ų | 73.5 | 63% | 0.626 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -65.9 | -36.1 | -177.4 | -150.5 | 28.4 | 0 | 0 | 0 | 112.6 | Y1132 S1133 N1138 L1139 | Y1132-D1136 PolarHBondContact O-N 3.42Å; S1133-D1136 PolarHBondContact O-N 2.88Å; D1136-N1138 VanDerWaalsContact C-N 3.31Å; D1136-N1138 PolarHBondContact O-N 3.27Å; D1136-L1139 PolarHBondContact O-N 3.16Å |
| 1137 | I | 75.6 | Confident | 78.5 | Confident | 111 Ų | 111 | 78.6 Ų | 78.6 | 57% | 0.569 | 41% | 0.41 | S | S | * | . | H | α-helix | trans | -70.4 | -26.2 | 175.3 | -69.2 | 165.4 | 0 | 0 | 0 | 112.7 | L1104 S1133 I1135 | L1104-I1137 HydrophobicContact CD1-CG2 4.42Å; L1104-I1137 HydrophobicContact CD2-CG2 4.44Å; S1133-I1137 VanDerWaalsContact O-CG1 3.32Å; S1133-I1137 WeakPolarHBondContact O-CG1 3.46Å; S1133-I1137 PolarHBondContact O-N 3.38Å; I1135-I1137 PolarHBondContact O-N 3.36Å |
| 1138 | N | 65.3 | Low | 78.5 | Confident | 19 Ų | 19 | 77.3 Ų | 77.3 | 10% | 0.102 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -90.1 | -9.5 | 178 | -81 | -73.7 | 0 | 0 | 0 | 113.3 | L1104 A1112 F1113 L1134 I1135 D1136 | L1104-N1138 WeakPolarHBondContact CD2-OD1 3.33Å; A1112-N1138 WeakPolarHBondContact CB-OD1 3.3Å; F1113-N1138 HydrophobicContact CB-CB 4.25Å; F1113-N1138 HydrophobicContact CD2-CB 3.93Å; L1134-N1138 PolarHBondContact O-N 3.17Å; L1134-N1138 PolarHBondContact O-ND2 2.98Å; I1135-N1138 PolarHBondContact O-N 2.82Å; D1136-N1138 VanDerWaalsContact C-N 3.31Å; D1136-N1138 PolarHBondContact O-N 3.27Å |
| 1139 | L | 66.4 | Low | 78.2 | Confident | 163 Ų | 163 | 78.5 Ų | 78.5 | 85% | 0.853 | 40% | 0.401 | S | S | * | . | trans | -84.2 | 0 | 169.3 | -80.9 | 160.2 | 0 | 0 | 0 | 109.4 | F1113 I1135 D1136 | F1113-L1139 HydrophobicContact CE2-CD2 4.45Å; F1113-L1139 HydrophobicContact CE2-CG 4.36Å; I1135-L1139 HydrophobicContact CG2-CD1 3.91Å; I1135-L1139 PolarHBondContact O-N 3.47Å; I1135-L1139 VanDerWaalsContact O-N 3.16Å; D1136-L1139 PolarHBondContact O-N 3.16Å |
Retrieved 1,139 of 1,139 residues in 1260.3 ms
(Link to these results)