| 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 | 66.3 | Low | 93.9 | Very high | 147 Ų | 147 | 33.8 Ų | 33.8 | 72% | 0.724 | 16% | 0.162 | S | C | * | . | 0 | 124.9 | 0 | -165.7 | 177.2 | -86.9 | 0 | 0 | 106 | F146 K285 | M1-F146 HydrophobicContact SD-CD1 4.16Å; M1-K285 PolarHBondContact O-N 2.78Å | |||
| 2 | E | 85.4 | Confident | 94.3 | Very high | 108 Ų | 108 | 32 Ų | 32 | 51% | 0.505 | 15% | 0.154 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 143 | -179.9 | -178.5 | 175.6 | -160 | 0 | 0 | 107.9 | D282 I283 | E2-D282 HydrophobicContact CG-CB 3.95Å; E2-D282 WeakPolarHBondContact OE1-CB 3.21Å; E2-I283 WeakPolarHBondContact CA-O 3.41Å |
| 3 | F | 93.7 | Very high | 94.5 | Very high | 9 Ų | 9 | 32.2 Ų | 32.2 | 4% | 0.039 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.1 | 146.8 | 176.5 | 71.9 | -75.5 | 0 | 0 | 0 | 110.6 | I5 V37 F146 A147 I283 | F3-I5 HydrophobicContact CD2-CG2 3.89Å; F3-I5 HydrophobicContact CE2-CG2 3.39Å; F3-I5 HydrophobicContact CZ-CG2 4.21Å; F3-V37 HydrophobicContact CD2-CG2 4.12Å; F3-V37 HydrophobicContact CE2-CG2 3.76Å; F3-F146 HydrophobicContact CB-CB 4.1Å; F3-F146 HydrophobicContact CB-CD1 3.7Å; F3-F146 HydrophobicContact CB-CD2 4.27Å; F3-F146 HydrophobicContact CB-CE1 4.19Å; F3-F146 HydrophobicContact CB-CG 3.75Å; F3-F146 HydrophobicContact CD1-CB 3.4Å; F3-F146 HydrophobicContact CD1-CG 4.03Å; F3-F146 HydrophobicContact CD2-CB 4.04Å; F3-F146 HydrophobicContact CD2-CD2 4.04Å; F3-F146 HydrophobicContact CD2-CG 4.06Å; F3-F146 HydrophobicContact CE1-CB 3.68Å; F3-F146 HydrophobicContact CE2-CB 4.29Å; F3-F146 HydrophobicContact CG-CB 3.57Å; F3-F146 HydrophobicContact CG-CD1 4.15Å; F3-F146 HydrophobicContact CG-CD2 4.13Å; F3-F146 AromaticContact CG-CG 3.68Å; F3-F146 HydrophobicContact CG-CG 3.68Å; F3-F146 HydrophobicContact CZ-CB 4.12Å; F3-A147 HydrophobicContact CE1-CB 3.89Å; F3-A147 HydrophobicContact CZ-CB 3.89Å; F3-I283 HydrophobicContact CD1-CB 3.95Å; F3-I283 HydrophobicContact CD1-CG2 4.32Å; F3-I283 VanDerWaalsContact CD1-O 3.32Å; F3-I283 WeakPolarHBondContact CD1-O 3.24Å; F3-I283 HydrophobicContact CE1-CB 3.52Å; F3-I283 HydrophobicContact CE1-CG1 4.47Å; F3-I283 HydrophobicContact CE1-CG2 3.48Å; F3-I283 VanDerWaalsContact CE1-CG2 3.48Å; F3-I283 HydrophobicContact CE2-CB 4.37Å; F3-I283 HydrophobicContact CZ-CB 3.76Å; F3-I283 HydrophobicContact CZ-CG1 4.23Å; F3-I283 HydrophobicContact CZ-CG2 3.76Å; F3-I283 PolarHBondContact N-O 2.98Å; F3-I283 PolarHBondContact O-N 3.11Å |
| 4 | K | 96.7 | Very high | 94.4 | Very high | 60 Ų | 60 | 34.9 Ų | 34.9 | 26% | 0.261 | 19% | 0.189 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 134.2 | -179.2 | -173 | 178 | -62.6 | -179.8 | 0 | 111.3 | T33 A35 K36 Y280 A281 D282 | K4-T33 PolarHBondContact NZ-O 3.07Å; K4-A35 HydrophobicContact CG-CB 4.42Å; K4-K36 PolarHBondContact O-N 3.19Å; K4-Y280 HydrophobicContact CD-CD1 4.31Å; K4-A281 WeakPolarHBondContact CA-O 3.48Å; K4-D282 WeakPolarHBondContact CB-OD1 3.12Å |
| 5 | I | 98.5 | Very high | 94.5 | Very high | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 157.5 | 168 | 68.8 | 170.5 | 0 | 0 | 0 | 110.9 | F3 L7 V37 I39 L209 A241 V261 Y280 A281 I283 | F3-I5 HydrophobicContact CD2-CG2 3.89Å; F3-I5 HydrophobicContact CE2-CG2 3.39Å; F3-I5 HydrophobicContact CZ-CG2 4.21Å; I5-L7 HydrophobicContact CD1-CD1 4.17Å; I5-L7 HydrophobicContact CG1-CD1 4.46Å; I5-V37 CarbonylContact C-O 3.55Å; I5-V37 VanDerWaalsContact CA-O 3.27Å; I5-V37 WeakPolarHBondContact CA-O 3.44Å; I5-V37 HydrophobicContact CG2-CB 4.01Å; I5-I39 HydrophobicContact CB-CD1 4.03Å; I5-I39 HydrophobicContact CD1-CD1 4.36Å; I5-L209 HydrophobicContact CD1-CD1 4.49Å; I5-L209 HydrophobicContact CD1-CD2 4.37Å; I5-L209 HydrophobicContact CG2-CD2 4.38Å; I5-A241 HydrophobicContact CD1-CB 4.09Å; I5-V261 HydrophobicContact CD1-CG1 4.45Å; I5-V261 HydrophobicContact CD1-CG2 4.15Å; I5-Y280 WeakPolarHBondContact O-CA 3.35Å; I5-A281 HydrophobicContact CG1-CB 4.11Å; I5-A281 PolarHBondContact N-O 3.29Å; I5-A281 PolarHBondContact O-N 2.84Å; I5-A281 VanDerWaalsContact O-N 3.15Å; I5-I283 HydrophobicContact CB-CG1 4.49Å; I5-I283 HydrophobicContact CD1-CD1 3.87Å; I5-I283 HydrophobicContact CD1-CG1 3.92Å; I5-I283 HydrophobicContact CG1-CD1 4.2Å; I5-I283 HydrophobicContact CG1-CG1 3.94Å; I5-I283 HydrophobicContact CG2-CG1 3.8Å |
| 6 | A | 98.8 | Very high | 94.6 | Very high | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 127.2 | 173 | 0 | 0 | 0 | 0 | 0 | 110.9 | A30 A35 V37 I38 I39 I278 V279 Y280 | A6-A30 HydrophobicContact CB-CB 3.7Å; A6-A35 HydrophobicContact CB-CB 3.73Å; A6-V37 PolarHBondContact N-O 2.96Å; A6-I38 HydrophobicContact CB-CG1 4.44Å; A6-I38 WeakPolarHBondContact O-CA 3.3Å; A6-I39 WeakPolarHBondContact O-CD1 3.4Å; A6-I39 PolarHBondContact O-N 2.95Å; A6-I278 HydrophobicContact CB-CG2 3.89Å; A6-V279 CarbonylContact C-O 3.52Å; A6-V279 VanDerWaalsContact CA-O 3.31Å; A6-V279 WeakPolarHBondContact CA-O 3.4Å; A6-Y280 HydrophobicContact CB-CD1 3.79Å; A6-Y280 HydrophobicContact CB-CE1 3.77Å |
| 7 | L | 98.9 | Very high | 94.7 | Very high | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 118.8 | 171.5 | -57.9 | 84.9 | 0 | 0 | 0 | 108.3 | I5 Q9 A241 M242 C243 V261 I278 V279 | I5-L7 HydrophobicContact CD1-CD1 4.17Å; I5-L7 HydrophobicContact CG1-CD1 4.46Å; L7-Q9 PolarHBondContact O-N 3.41Å; L7-A241 HydrophobicContact CD2-CB 4.03Å; L7-M242 VanDerWaalsContact CD2-C 3.49Å; L7-M242 WeakPolarHBondContact CD2-O 3.5Å; L7-C243 HydrophobicContact CB-CB 4.13Å; L7-C243 HydrophobicContact CD2-CB 3.87Å; L7-C243 HydrophobicContact CG-CB 4.31Å; L7-V261 HydrophobicContact CD1-CG2 3.27Å; L7-V261 HydrophobicContact CD2-CG2 4.36Å; L7-V261 HydrophobicContact CG-CG2 4.48Å; L7-I278 WeakPolarHBondContact O-CA 3.47Å; L7-V279 HydrophobicContact CB-CB 4.2Å; L7-V279 HydrophobicContact CD1-CB 4.16Å; L7-V279 HydrophobicContact CD1-CG1 4.26Å; L7-V279 PolarHBondContact N-O 3.32Å; L7-V279 PolarHBondContact O-N 3.11Å |
| 8 | V | 98.9 | Very high | 94.9 | Very high | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 94.9 | -176.6 | 176 | 0 | 0 | 0 | 0 | 109.2 | M10 L26 A30 I38 I39 L40 P41 | V8-M10 HydrophobicContact CG1-CB 4.15Å; V8-M10 HydrophobicContact CG1-CG 4.48Å; V8-M10 PolarHBondContact O-N 2.77Å; V8-M10 VanDerWaalsContact O-N 3.11Å; V8-L26 HydrophobicContact CG1-CB 3.54Å; V8-L26 HydrophobicContact CG1-CD1 3.85Å; V8-L26 HydrophobicContact CG1-CG 4.32Å; V8-A30 HydrophobicContact CG2-CB 4.38Å; V8-I38 HydrophobicContact CG2-CG2 3.71Å; V8-I39 PolarHBondContact N-O 3.47Å; V8-L40 HydrophobicContact CB-CD2 3.96Å; V8-L40 HydrophobicContact CG1-CD2 3.88Å; V8-P41 VanDerWaalsContact O-CD 3.32Å; V8-P41 WeakPolarHBondContact O-CD 3.4Å |
| 9 | Q | 98.8 | Very high | 95.1 | Very high | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 86.6 | 173.5 | 179.5 | 161.1 | -65 | 0 | 0 | 109.7 | L7 S244 A246 Y258 S259 A273 E275 E276 D277 | L7-Q9 PolarHBondContact O-N 3.41Å; Q9-S244 WeakPolarHBondContact CA-O 3.31Å; Q9-S244 VanDerWaalsContact CG-O 3.29Å; Q9-S244 WeakPolarHBondContact CG-O 3.35Å; Q9-A246 HydrophobicContact CG-CB 3.98Å; Q9-Y258 VanDerWaalsContact OE1-N 3.11Å; Q9-S259 VanDerWaalsContact OE1-CB 3.3Å; Q9-S259 PolarHBondContact OE1-OG 3.45Å; Q9-A273 PolarHBondContact NE2-O 3.04Å; Q9-E275 PolarHBondContact NE2-O 3.29Å; Q9-E276 CarbonylContact O-C 3.57Å; Q9-E276 VanDerWaalsContact O-CA 3.24Å; Q9-E276 WeakPolarHBondContact O-CA 3.2Å; Q9-D277 CarbonylContact C-O 3.56Å; Q9-D277 WeakPolarHBondContact CA-O 3.39Å; Q9-D277 WeakPolarHBondContact CB-O 3.27Å; Q9-D277 PolarHBondContact N-O 3.36Å; Q9-D277 PolarHBondContact O-N 2.87Å |
| 10 | M | 98.6 | Very high | 95.2 | Very high | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 21% | 0.208 | C | C | . | . | trans | -97.2 | 148 | -176.6 | 61.2 | -179.9 | -73.9 | 0 | 0 | 113 | V8 V12 N19 R22 A23 L26 L40 P41 F44 P245 A246 | V8-M10 HydrophobicContact CG1-CB 4.15Å; V8-M10 HydrophobicContact CG1-CG 4.48Å; V8-M10 PolarHBondContact O-N 2.77Å; V8-M10 VanDerWaalsContact O-N 3.11Å; M10-V12 HydrophobicContact CG-CG2 4.43Å; M10-V12 PolarHBondContact O-N 2.95Å; M10-N19 HydrophobicContact CE-CB 4.28Å; M10-N19 WeakPolarHBondContact CE-O 3.03Å; M10-R22 HydrophobicContact CB-CG 4.32Å; M10-R22 HydrophobicContact CE-CB 4.12Å; M10-R22 HydrophobicContact CE-CG 4.01Å; M10-A23 HydrophobicContact CE-CB 4Å; M10-A23 HydrophobicContact SD-CB 3.85Å; M10-L26 HydrophobicContact CB-CD1 3.44Å; M10-L26 VanDerWaalsContact CB-CD1 3.44Å; M10-L40 HydrophobicContact SD-CD2 3.84Å; M10-P41 HydrophobicContact CG-CG 3.9Å; M10-F44 HydrophobicContact CE-CD2 4.43Å; M10-F44 HydrophobicContact SD-CB 3.97Å; M10-F44 HydrophobicContact SD-CD2 3.93Å; M10-F44 HydrophobicContact SD-CG 4.43Å; M10-P245 WeakPolarHBondContact O-CA 3.4Å; M10-A246 PolarHBondContact O-N 2.83Å | ||
| 11 | L | 98.3 | Very high | 95.4 | Very high | 48 Ų | 48 | 40.8 Ų | 40.8 | 25% | 0.251 | 23% | 0.225 | S | C | . | . | trans | -68.6 | 129.3 | 168.1 | -172.6 | 73.5 | 0 | 0 | 0 | 110 | T13 R22 A246 N248 E276 | L11-T13 HydrophobicContact CD2-CG2 4.3Å; L11-T13 HydrophobicContact CG-CG2 4.43Å; L11-R22 WeakPolarHBondContact O-CD 3.24Å; L11-A246 HydrophobicContact CB-CB 4.37Å; L11-A246 HydrophobicContact CD1-CB 4.47Å; L11-N248 HydrophobicContact CD1-CB 3.69Å; L11-E276 WeakPolarHBondContact CB-OE2 3.28Å; L11-E276 PolarHBondContact N-OE2 3.29Å | ||
| 12 | V | 98.2 | Very high | 96.9 | Very high | 12 Ų | 12 | 36.8 Ų | 36.8 | 7% | 0.073 | 20% | 0.201 | C | C | . | . | trans | -109 | 128.7 | 175.9 | -179.7 | 0 | 0 | 0 | 0 | 109.6 | M10 I46 P245 N248 | M10-V12 HydrophobicContact CG-CG2 4.43Å; M10-V12 PolarHBondContact O-N 2.95Å; V12-I46 VanDerWaalsContact CG1-C 3.45Å; V12-I46 WeakPolarHBondContact CG1-O 3.04Å; V12-P245 HydrophobicContact CG2-CB 4.04Å; V12-N248 PolarHBondContact O-ND2 3.2Å | ||
| 13 | T | 96.8 | Very high | 97.6 | Very high | 34 Ų | 34 | 31.6 Ų | 31.6 | 21% | 0.209 | 18% | 0.177 | C | C | . | . | trans | -119.3 | 177 | 178.9 | 75.6 | 0 | 0 | 0 | 0 | 111 | L11 E15 N19 P47 | L11-T13 HydrophobicContact CD2-CG2 4.3Å; L11-T13 HydrophobicContact CG-CG2 4.43Å; T13-E15 PolarHBondContact O-N 2.96Å; T13-E15 PolarHBondContact OG1-N 3.29Å; T13-N19 PolarHBondContact N-OD1 2.75Å; T13-N19 PolarHBondContact O-ND2 3.41Å; T13-N19 PolarHBondContact OG1-OD1 2.82Å; T13-P47 VanDerWaalsContact O-CD 3.28Å; T13-P47 WeakPolarHBondContact O-CD 3.36Å; T13-P47 WeakPolarHBondContact O-CG 3.42Å | ||
| 14 | A | 94 | Very high | 97.8 | Very high | 70 Ų | 70 | 34.7 Ų | 34.7 | 58% | 0.579 | 19% | 0.192 | S | C | * | . | S | Bend | trans | -67.6 | -20.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | K16 P47 | A14-K16 PolarHBondContact O-N 2.76Å; A14-P47 HydrophobicContact CB-CG 4.32Å |
| 15 | E | 95.1 | Very high | 97.9 | Very high | 132 Ų | 132 | 38 Ų | 38 | 62% | 0.617 | 20% | 0.202 | S | C | * | . | trans | -89.1 | 99.5 | -176.3 | -64.9 | -61.1 | 127 | 0 | 0 | 110.3 | T13 D17 A18 N19 | T13-E15 PolarHBondContact O-N 2.96Å; T13-E15 PolarHBondContact OG1-N 3.29Å; E15-D17 PolarHBondContact O-N 2.9Å; E15-A18 HydrophobicContact CB-CB 3.81Å; E15-A18 WeakPolarHBondContact O-CB 2.94Å; E15-A18 PolarHBondContact O-N 3.06Å; E15-N19 PolarHBondContact O-N 3.27Å; E15-N19 VanDerWaalsContact O-N 3.08Å; E15-N19 PolarHBondContact O-ND2 2.98Å | ||
| 16 | K | 96.2 | Very high | 97.9 | Very high | 35 Ų | 35 | 38.1 Ų | 38.1 | 15% | 0.152 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -51.1 | -42 | -179 | -174.1 | 170.7 | -175.1 | 177.2 | 0 | 112.8 | A14 A18 N19 L20 N45 I46 N56 E58 | A14-K16 PolarHBondContact O-N 2.76Å; K16-A18 VanDerWaalsContact C-N 3.35Å; K16-A18 PolarHBondContact O-N 2.76Å; K16-N19 WeakPolarHBondContact O-CB 3.05Å; K16-N19 PolarHBondContact O-N 3.19Å; K16-N19 VanDerWaalsContact O-N 3.15Å; K16-L20 HydrophobicContact CG-CD1 4.39Å; K16-L20 HydrophobicContact CG-CG 4.5Å; K16-L20 WeakPolarHBondContact O-CG 3.49Å; K16-L20 PolarHBondContact O-N 2.77Å; K16-N45 WeakPolarHBondContact CA-O 3.35Å; K16-I46 HydrophobicContact CB-CG2 4.43Å; K16-I46 HydrophobicContact CD-CG2 4.17Å; K16-I46 HydrophobicContact CG-CG2 4.28Å; K16-N56 PolarHBondContact NZ-O 2.85Å; K16-E58 WeakPolarHBondContact CE-OE1 3.24Å; K16-E58 IonicContact NZ-OE1 3.93Å; K16-E58 PolarHBondContact NZ-OE1 2.79Å |
| 17 | D | 96.6 | Very high | 97.9 | Very high | 71 Ų | 71 | 38.1 Ų | 38.1 | 38% | 0.38 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -65.3 | -38.7 | 179.7 | -74.2 | 14.9 | 0 | 0 | 0 | 112.4 | E15 N19 L20 C21 R65 | E15-D17 PolarHBondContact O-N 2.9Å; D17-N19 VanDerWaalsContact C-N 3.29Å; D17-N19 PolarHBondContact O-N 2.85Å; D17-L20 PolarHBondContact O-N 3.19Å; D17-C21 WeakPolarHBondContact O-CB 3.47Å; D17-C21 PolarHBondContact O-N 3.39Å; D17-C21 PolarHBondContact O-SG 2.82Å; D17-C21 VanDerWaalsContact O-SG 3.35Å; D17-R65 IonicContact OD1-CZ 2.88Å; D17-R65 IonicContact OD1-NH1 2.62Å; D17-R65 PolarHBondContact OD1-NH1 3.26Å; D17-R65 IonicContact OD1-NH2 2.73Å; D17-R65 PolarHBondContact OD1-NH2 3.39Å; D17-R65 VanDerWaalsContact OD1-NH2 3.12Å; D17-R65 IonicContact OD2-CZ 3.94Å; D17-R65 IonicContact OD2-NH1 3.52Å; D17-R65 PolarHBondContact OD2-NH1 3.15Å; D17-R65 IonicContact OD2-NH2 3.28Å; D17-R65 PolarHBondContact OD2-NH2 3.32Å |
| 18 | A | 97.8 | Very high | 97.9 | Very high | 39 Ų | 39 | 39.6 Ų | 39.6 | 32% | 0.322 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -66.1 | -35.5 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | E15 K16 R22 | E15-A18 HydrophobicContact CB-CB 3.81Å; E15-A18 WeakPolarHBondContact O-CB 2.94Å; E15-A18 PolarHBondContact O-N 3.06Å; K16-A18 VanDerWaalsContact C-N 3.35Å; K16-A18 PolarHBondContact O-N 2.76Å; A18-R22 VanDerWaalsContact O-CB 3.23Å; A18-R22 WeakPolarHBondContact O-CB 3.46Å; A18-R22 PolarHBondContact O-N 2.69Å; A18-R22 VanDerWaalsContact O-N 3.1Å; A18-R22 PolarHBondContact O-NH1 2.92Å |
| 19 | N | 98.4 | Very high | 97.9 | Very high | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -66.6 | -47.2 | 174.5 | -61.2 | -30.5 | 0 | 0 | 0 | 111.1 | M10 T13 E15 K16 D17 R22 A23 N45 | M10-N19 HydrophobicContact CE-CB 4.28Å; M10-N19 WeakPolarHBondContact CE-O 3.03Å; T13-N19 PolarHBondContact N-OD1 2.75Å; T13-N19 PolarHBondContact O-ND2 3.41Å; T13-N19 PolarHBondContact OG1-OD1 2.82Å; E15-N19 PolarHBondContact O-N 3.27Å; E15-N19 VanDerWaalsContact O-N 3.08Å; E15-N19 PolarHBondContact O-ND2 2.98Å; K16-N19 WeakPolarHBondContact O-CB 3.05Å; K16-N19 PolarHBondContact O-N 3.19Å; K16-N19 VanDerWaalsContact O-N 3.15Å; D17-N19 VanDerWaalsContact C-N 3.29Å; D17-N19 PolarHBondContact O-N 2.85Å; N19-R22 WeakPolarHBondContact O-CB 3.1Å; N19-R22 PolarHBondContact O-N 3.42Å; N19-A23 WeakPolarHBondContact O-CB 3.06Å; N19-A23 PolarHBondContact O-N 3.25Å; N19-N45 PolarHBondContact ND2-O 3.5Å |
| 20 | L | 98.5 | Very high | 97.9 | Very high | 11 Ų | 11 | 45 Ų | 45 | 6% | 0.058 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -61.4 | -46.6 | 178.6 | -68 | -178.1 | 0 | 0 | 0 | 112.2 | K16 D17 R22 A23 E24 F44 N45 R65 T66 L69 | K16-L20 HydrophobicContact CG-CD1 4.39Å; K16-L20 HydrophobicContact CG-CG 4.5Å; K16-L20 WeakPolarHBondContact O-CG 3.49Å; K16-L20 PolarHBondContact O-N 2.77Å; D17-L20 PolarHBondContact O-N 3.19Å; L20-R22 VanDerWaalsContact C-N 3.27Å; L20-R22 PolarHBondContact O-N 3.31Å; L20-A23 PolarHBondContact O-N 3.45Å; L20-E24 PolarHBondContact O-N 2.92Å; L20-F44 HydrophobicContact CD2-CE2 4.11Å; L20-F44 HydrophobicContact CD2-CZ 4.5Å; L20-N45 HydrophobicContact CD2-CB 4.05Å; L20-R65 HydrophobicContact CD1-CB 4.11Å; L20-T66 HydrophobicContact CD2-CG2 4.08Å; L20-L69 HydrophobicContact CB-CD2 3.92Å; L20-L69 HydrophobicContact CD2-CD2 3.87Å; L20-L69 HydrophobicContact CG-CD2 4.44Å; L20-L69 WeakPolarHBondContact O-CD2 3.41Å |
| 21 | C | 98.5 | Very high | 97.9 | Very high | 81 Ų | 81 | 45.7 Ų | 45.7 | 55% | 0.547 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -60.4 | -36.8 | 175 | -72.4 | 0 | 0 | 0 | 0 | 112.4 | D17 R25 | D17-C21 WeakPolarHBondContact O-CB 3.47Å; D17-C21 PolarHBondContact O-N 3.39Å; D17-C21 PolarHBondContact O-SG 2.82Å; D17-C21 VanDerWaalsContact O-SG 3.35Å; C21-R25 PolarHBondContact O-N 3.09Å |
| 22 | R | 98.7 | Very high | 97.9 | Very high | 62 Ų | 62 | 47.9 Ų | 47.9 | 23% | 0.234 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -70.1 | -43 | 176.6 | 176.4 | 176.4 | -85.9 | 101 | 2.4 | 111.9 | M10 L11 A18 N19 L20 E24 R25 L26 E276 | M10-R22 HydrophobicContact CB-CG 4.32Å; M10-R22 HydrophobicContact CE-CB 4.12Å; M10-R22 HydrophobicContact CE-CG 4.01Å; L11-R22 WeakPolarHBondContact O-CD 3.24Å; A18-R22 VanDerWaalsContact O-CB 3.23Å; A18-R22 WeakPolarHBondContact O-CB 3.46Å; A18-R22 PolarHBondContact O-N 2.69Å; A18-R22 VanDerWaalsContact O-N 3.1Å; A18-R22 PolarHBondContact O-NH1 2.92Å; N19-R22 WeakPolarHBondContact O-CB 3.1Å; N19-R22 PolarHBondContact O-N 3.42Å; L20-R22 VanDerWaalsContact C-N 3.27Å; L20-R22 PolarHBondContact O-N 3.31Å; R22-E24 VanDerWaalsContact C-N 3.31Å; R22-E24 PolarHBondContact O-N 2.98Å; R22-R25 PolarHBondContact O-N 3.15Å; R22-L26 HydrophobicContact CG-CD1 3.8Å; R22-L26 HydrophobicContact CG-CG 4.49Å; R22-L26 WeakPolarHBondContact O-CG 3.47Å; R22-L26 PolarHBondContact O-N 2.96Å; R22-E276 WeakPolarHBondContact CD-OE2 3.37Å; R22-E276 IonicContact NE-OE2 2.7Å; R22-E276 PolarHBondContact NE-OE2 3.19Å |
| 23 | A | 98.8 | Very high | 97.9 | Very high | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -58.5 | -44.4 | 173.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | M10 N19 L20 R25 L26 V27 L40 F44 L69 | M10-A23 HydrophobicContact CE-CB 4Å; M10-A23 HydrophobicContact SD-CB 3.85Å; N19-A23 WeakPolarHBondContact O-CB 3.06Å; N19-A23 PolarHBondContact O-N 3.25Å; L20-A23 PolarHBondContact O-N 3.45Å; A23-R25 PolarHBondContact O-N 3.05Å; A23-L26 PolarHBondContact O-N 3.26Å; A23-V27 VanDerWaalsContact O-CB 3.28Å; A23-V27 WeakPolarHBondContact O-CB 3.39Å; A23-V27 WeakPolarHBondContact O-CG2 3.4Å; A23-V27 PolarHBondContact O-N 2.98Å; A23-L40 HydrophobicContact CB-CD2 4.3Å; A23-F44 HydrophobicContact CB-CD2 3.92Å; A23-F44 HydrophobicContact CB-CE2 3.8Å; A23-L69 HydrophobicContact CB-CD2 4.47Å |
| 24 | E | 98.8 | Very high | 97.9 | Very high | 73 Ų | 73 | 49.9 Ų | 49.9 | 34% | 0.341 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -54.1 | -54.2 | 175.8 | -169 | 175.5 | -166.7 | 0 | 0 | 112.1 | L20 R22 L26 V27 A28 L69 L73 R76 | L20-E24 PolarHBondContact O-N 2.92Å; R22-E24 VanDerWaalsContact C-N 3.31Å; R22-E24 PolarHBondContact O-N 2.98Å; E24-L26 PolarHBondContact O-N 3.47Å; E24-V27 PolarHBondContact O-N 3.23Å; E24-A28 VanDerWaalsContact O-CB 3.3Å; E24-A28 WeakPolarHBondContact O-CB 3.17Å; E24-A28 PolarHBondContact O-N 2.88Å; E24-L69 HydrophobicContact CB-CD1 3.86Å; E24-L69 HydrophobicContact CG-CD1 3.95Å; E24-L73 HydrophobicContact CG-CD2 3.99Å; E24-R76 IonicContact OE1-CZ 3.83Å; E24-R76 IonicContact OE1-NH1 2.91Å; E24-R76 IonicContact OE1-NH2 3.72Å; E24-R76 PolarHBondContact OE1-NH2 2.87Å |
| 25 | R | 98.7 | Very high | 98.1 | Very high | 129 Ų | 129 | 46.7 Ų | 46.7 | 49% | 0.487 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -59.3 | -45 | -179.4 | 179.4 | 179.1 | 58.9 | 86.1 | 4 | 112.1 | C21 R22 A23 K29 E276 | C21-R25 PolarHBondContact O-N 3.09Å; R22-R25 PolarHBondContact O-N 3.15Å; A23-R25 PolarHBondContact O-N 3.05Å; R25-K29 WeakPolarHBondContact O-CB 3.34Å; R25-K29 PolarHBondContact O-N 3.07Å; R25-E276 IonicContact CZ-OE1 3.19Å; R25-E276 IonicContact NH1-OE1 3.06Å; R25-E276 IonicContact NH2-OE1 3.84Å; R25-E276 PolarHBondContact NH2-OE1 2.89Å |
| 26 | L | 98.9 | Very high | 98.2 | Very high | 4 Ų | 4 | 44 Ų | 44 | 2% | 0.021 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -75.3 | -37.3 | -175.5 | -67.1 | 170.7 | 0 | 0 | 0 | 112.4 | V8 M10 R22 A23 E24 K29 A30 E276 I278 | V8-L26 HydrophobicContact CG1-CB 3.54Å; V8-L26 HydrophobicContact CG1-CD1 3.85Å; V8-L26 HydrophobicContact CG1-CG 4.32Å; M10-L26 HydrophobicContact CB-CD1 3.44Å; M10-L26 VanDerWaalsContact CB-CD1 3.44Å; R22-L26 HydrophobicContact CG-CD1 3.8Å; R22-L26 HydrophobicContact CG-CG 4.49Å; R22-L26 WeakPolarHBondContact O-CG 3.47Å; R22-L26 PolarHBondContact O-N 2.96Å; A23-L26 PolarHBondContact O-N 3.26Å; E24-L26 PolarHBondContact O-N 3.47Å; L26-K29 PolarHBondContact O-N 2.86Å; L26-A30 WeakPolarHBondContact O-CB 3.38Å; L26-A30 PolarHBondContact O-N 3.14Å; L26-E276 HydrophobicContact CD1-CG 4.09Å; L26-I278 HydrophobicContact CB-CD1 4.36Å; L26-I278 HydrophobicContact CD2-CD1 4.13Å; L26-I278 HydrophobicContact CD2-CG1 4.32Å; L26-I278 WeakPolarHBondContact O-CD1 3.42Å |
| 27 | V | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -65.5 | -44.1 | 173.7 | 171.8 | 0 | 0 | 0 | 0 | 110.4 | A23 E24 K29 A30 A31 I38 L40 L73 I81 | A23-V27 VanDerWaalsContact O-CB 3.28Å; A23-V27 WeakPolarHBondContact O-CB 3.39Å; A23-V27 WeakPolarHBondContact O-CG2 3.4Å; A23-V27 PolarHBondContact O-N 2.98Å; E24-V27 PolarHBondContact O-N 3.23Å; V27-K29 VanDerWaalsContact C-N 3.33Å; V27-K29 PolarHBondContact O-N 3.47Å; V27-A30 PolarHBondContact O-N 2.86Å; V27-A31 WeakPolarHBondContact O-CB 3.37Å; V27-A31 PolarHBondContact O-N 3.5Å; V27-I38 HydrophobicContact CG1-CD1 3.85Å; V27-I38 HydrophobicContact CG1-CG2 4.35Å; V27-I38 HydrophobicContact CG2-CG2 4.13Å; V27-L40 HydrophobicContact CG2-CD1 4.32Å; V27-L40 HydrophobicContact CG2-CD2 4.19Å; V27-L40 HydrophobicContact CG2-CG 4.38Å; V27-L73 HydrophobicContact CB-CD1 3.99Å; V27-L73 HydrophobicContact CB-CD2 4.33Å; V27-L73 HydrophobicContact CG1-CB 4.07Å; V27-L73 HydrophobicContact CG1-CD1 3.95Å; V27-L73 HydrophobicContact CG1-CD2 4.05Å; V27-L73 HydrophobicContact CG1-CG 4.27Å; V27-L73 HydrophobicContact CG2-CD1 4.32Å; V27-I81 HydrophobicContact CG1-CD1 3.99Å |
| 28 | A | 98.7 | Very high | 98.5 | Very high | 30 Ų | 30 | 38.9 Ų | 38.9 | 25% | 0.248 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -60.7 | -42.5 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | E24 A31 S32 | E24-A28 VanDerWaalsContact O-CB 3.3Å; E24-A28 WeakPolarHBondContact O-CB 3.17Å; E24-A28 PolarHBondContact O-N 2.88Å; A28-A31 PolarHBondContact O-N 2.87Å; A28-S32 PolarHBondContact O-N 3.46Å; A28-S32 VanDerWaalsContact O-N 3.08Å |
| 29 | K | 98.8 | Very high | 98.5 | Very high | 114 Ų | 114 | 37 Ų | 37 | 50% | 0.496 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -60.4 | -47.6 | 173.7 | -175.6 | 178.3 | 177.1 | -171.1 | 0 | 111.2 | R25 L26 V27 A31 S32 I278 | R25-K29 WeakPolarHBondContact O-CB 3.34Å; R25-K29 PolarHBondContact O-N 3.07Å; L26-K29 PolarHBondContact O-N 2.86Å; V27-K29 VanDerWaalsContact C-N 3.33Å; V27-K29 PolarHBondContact O-N 3.47Å; K29-A31 PolarHBondContact O-N 2.76Å; K29-S32 PolarHBondContact O-N 2.89Å; K29-S32 PolarHBondContact O-OG 3.21Å; K29-I278 HydrophobicContact CB-CD1 4.01Å; K29-I278 HydrophobicContact CD-CD1 3.89Å; K29-I278 HydrophobicContact CG-CD1 3.97Å |
| 30 | A | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -60.6 | -44.5 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | A6 V8 L26 V27 S32 T33 A35 I38 I278 Y280 | A6-A30 HydrophobicContact CB-CB 3.7Å; V8-A30 HydrophobicContact CG2-CB 4.38Å; L26-A30 WeakPolarHBondContact O-CB 3.38Å; L26-A30 PolarHBondContact O-N 3.14Å; V27-A30 PolarHBondContact O-N 2.86Å; A30-S32 VanDerWaalsContact C-N 3.29Å; A30-S32 PolarHBondContact O-N 2.69Å; A30-T33 PolarHBondContact O-N 3.41Å; A30-T33 PolarHBondContact O-OG1 3.46Å; A30-A35 WeakPolarHBondContact O-CB 3.25Å; A30-I38 HydrophobicContact CB-CD1 3.92Å; A30-I38 HydrophobicContact CB-CG1 4.25Å; A30-I38 HydrophobicContact CB-CG2 4.29Å; A30-I278 HydrophobicContact CB-CD1 4.23Å; A30-I278 HydrophobicContact CB-CG2 4.09Å; A30-Y280 HydrophobicContact CB-CE1 4.33Å |
| 31 | A | 98.6 | Very high | 98.6 | Very high | 15 Ų | 15 | 36.5 Ų | 36.5 | 12% | 0.124 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -60.5 | -38.6 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | V27 A28 K29 T33 G34 I38 H77 V79 | V27-A31 WeakPolarHBondContact O-CB 3.37Å; V27-A31 PolarHBondContact O-N 3.5Å; A28-A31 PolarHBondContact O-N 2.87Å; K29-A31 PolarHBondContact O-N 2.76Å; A31-T33 PolarHBondContact O-N 2.84Å; A31-T33 VanDerWaalsContact O-N 3.1Å; A31-G34 PolarHBondContact O-N 2.64Å; A31-G34 VanDerWaalsContact O-N 3.08Å; A31-I38 HydrophobicContact CB-CD1 3.95Å; A31-H77 HydrophobicContact CB-CB 3.55Å; A31-V79 HydrophobicContact CB-CG1 4.18Å |
| 32 | S | 98.3 | Very high | 98.6 | Very high | 94 Ų | 94 | 32.7 Ų | 32.7 | 66% | 0.657 | 17% | 0.174 | S | C | * | . | H | α-helix | trans | -63.3 | -16.2 | -179.5 | 78.2 | 0 | 0 | 0 | 0 | 114.4 | A28 K29 A30 G34 | A28-S32 PolarHBondContact O-N 3.46Å; A28-S32 VanDerWaalsContact O-N 3.08Å; K29-S32 PolarHBondContact O-N 2.89Å; K29-S32 PolarHBondContact O-OG 3.21Å; A30-S32 VanDerWaalsContact C-N 3.29Å; A30-S32 PolarHBondContact O-N 2.69Å; S32-G34 VanDerWaalsContact C-N 3.33Å |
| 33 | T | 98.1 | Very high | 98.5 | Very high | 50 Ų | 50 | 30.4 Ų | 30.4 | 31% | 0.307 | 17% | 0.167 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90.7 | 4.1 | 177.8 | 76.2 | 0 | 0 | 0 | 0 | 113.7 | K4 A30 A31 Y280 | K4-T33 PolarHBondContact NZ-O 3.07Å; A30-T33 PolarHBondContact O-N 3.41Å; A30-T33 PolarHBondContact O-OG1 3.46Å; A31-T33 PolarHBondContact O-N 2.84Å; A31-T33 VanDerWaalsContact O-N 3.1Å; T33-Y280 HydrophobicContact CG2-CE1 3.83Å; T33-Y280 HydrophobicContact CG2-CE2 4.45Å; T33-Y280 WeakPolarHBondContact CG2-OH 3.21Å; T33-Y280 WeakPolarHBondContact OG1-CD1 3.44Å; T33-Y280 WeakPolarHBondContact OG1-CE1 3.41Å |
| 34 | G | 97.3 | Very high | 98.5 | Very high | 38 Ų | 38 | 30.4 Ų | 30.4 | 39% | 0.392 | 17% | 0.167 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 85.6 | 10.5 | -178.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | A31 S32 K36 | A31-G34 PolarHBondContact O-N 2.64Å; A31-G34 VanDerWaalsContact O-N 3.08Å; S32-G34 VanDerWaalsContact C-N 3.33Å; G34-K36 PolarHBondContact O-N 3.06Å |
| 35 | A | 98.2 | Very high | 98.4 | Very high | 2 Ų | 2 | 26.9 Ų | 26.9 | 2% | 0.017 | 15% | 0.151 | C | C | . | . | trans | -57.2 | 134.4 | 171.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | K4 A6 A30 I38 V79 | K4-A35 HydrophobicContact CG-CB 4.42Å; A6-A35 HydrophobicContact CB-CB 3.73Å; A30-A35 WeakPolarHBondContact O-CB 3.25Å; A35-I38 HydrophobicContact CB-CG1 4.31Å; A35-V79 WeakPolarHBondContact O-CG1 3.29Å | ||
| 36 | K | 97.8 | Very high | 98.4 | Very high | 75 Ų | 75 | 21 Ų | 21 | 33% | 0.326 | 13% | 0.129 | S | C | . | . | S | Bend | trans | -101.4 | -28.4 | -179.2 | -61 | -57.3 | -176.4 | -178.7 | 0 | 112.9 | K4 G34 Y80 F146 | K4-K36 PolarHBondContact O-N 3.19Å; G34-K36 PolarHBondContact O-N 3.06Å; K36-Y80 PolarHBondContact O-N 3.24Å; K36-F146 HydrophobicContact CB-CD2 4.41Å; K36-F146 HydrophobicContact CB-CE2 3.68Å; K36-F146 HydrophobicContact CB-CZ 3.95Å; K36-F146 HydrophobicContact CD-CZ 4.33Å; K36-F146 HydrophobicContact CG-CE2 4.16Å; K36-F146 HydrophobicContact CG-CZ 3.89Å |
| 37 | V | 98.5 | Very high | 98.2 | Very high | 0 Ų | 0 | 21.7 Ų | 21.7 | 0% | 0 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 121.5 | 173.2 | -173.2 | 0 | 0 | 0 | 0 | 108.2 | F3 I5 A6 I39 Y80 I82 I149 | F3-V37 HydrophobicContact CD2-CG2 4.12Å; F3-V37 HydrophobicContact CE2-CG2 3.76Å; I5-V37 CarbonylContact C-O 3.55Å; I5-V37 VanDerWaalsContact CA-O 3.27Å; I5-V37 WeakPolarHBondContact CA-O 3.44Å; I5-V37 HydrophobicContact CG2-CB 4.01Å; A6-V37 PolarHBondContact N-O 2.96Å; V37-I39 HydrophobicContact CG1-CD1 4.13Å; V37-I39 HydrophobicContact CG1-CG1 4.41Å; V37-Y80 WeakPolarHBondContact CA-O 3.46Å; V37-Y80 HydrophobicContact CG2-CD2 4.31Å; V37-I82 HydrophobicContact CG1-CD1 4.01Å; V37-I82 HydrophobicContact CG1-CG1 4.19Å; V37-I149 HydrophobicContact CG1-CD1 4.26Å; V37-I149 HydrophobicContact CG2-CD1 4.38Å |
| 38 | I | 98.9 | Very high | 97.9 | Very high | 0 Ų | 0 | 22.7 Ų | 22.7 | 0% | 0 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 129 | 178 | -57.2 | 176.7 | 0 | 0 | 0 | 108.2 | A6 V8 V27 A30 A31 A35 V79 Y80 I81 I82 | A6-I38 HydrophobicContact CB-CG1 4.44Å; A6-I38 WeakPolarHBondContact O-CA 3.3Å; V8-I38 HydrophobicContact CG2-CG2 3.71Å; V27-I38 HydrophobicContact CG1-CD1 3.85Å; V27-I38 HydrophobicContact CG1-CG2 4.35Å; V27-I38 HydrophobicContact CG2-CG2 4.13Å; A30-I38 HydrophobicContact CB-CD1 3.92Å; A30-I38 HydrophobicContact CB-CG1 4.25Å; A30-I38 HydrophobicContact CB-CG2 4.29Å; A31-I38 HydrophobicContact CB-CD1 3.95Å; A35-I38 HydrophobicContact CB-CG1 4.31Å; I38-V79 HydrophobicContact CD1-CB 4.32Å; I38-V79 HydrophobicContact CD1-CG1 4.28Å; I38-V79 HydrophobicContact CD1-CG2 3.91Å; I38-Y80 PolarHBondContact N-O 2.99Å; I38-I81 WeakPolarHBondContact O-CA 3.46Å; I38-I82 PolarHBondContact O-N 2.8Å |
| 39 | I | 98.9 | Very high | 97.6 | Very high | 0 Ų | 0 | 21.6 Ų | 21.6 | 0% | 0 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 124.3 | -177 | -55.5 | 94.9 | 0 | 0 | 0 | 108.4 | I5 A6 V8 V37 I82 V211 C243 | I5-I39 HydrophobicContact CB-CD1 4.03Å; I5-I39 HydrophobicContact CD1-CD1 4.36Å; A6-I39 WeakPolarHBondContact O-CD1 3.4Å; A6-I39 PolarHBondContact O-N 2.95Å; V8-I39 PolarHBondContact N-O 3.47Å; V37-I39 HydrophobicContact CG1-CD1 4.13Å; V37-I39 HydrophobicContact CG1-CG1 4.41Å; I39-I82 HydrophobicContact CB-CB 4.47Å; I39-I82 HydrophobicContact CG1-CB 4.13Å; I39-I82 HydrophobicContact CG1-CD1 3.98Å; I39-I82 HydrophobicContact CG1-CG1 4.43Å; I39-I82 HydrophobicContact CG2-CB 4.32Å; I39-I82 HydrophobicContact CG2-CG2 4.24Å; I39-V211 HydrophobicContact CB-CG1 4.43Å; I39-V211 HydrophobicContact CG1-CG1 3.99Å; I39-V211 HydrophobicContact CG2-CG1 3.54Å; I39-C243 HydrophobicContact CB-CB 4.47Å; I39-C243 HydrophobicContact CG2-CB 3.69Å; I39-C243 PolarHBondContact O-SG 3.3Å; I39-C243 VanDerWaalsContact O-SG 3.41Å |
| 40 | L | 98.9 | Very high | 97.4 | Very high | 0 Ų | 0 | 17.2 Ų | 17.2 | 0% | 0 | 11% | 0.112 | C | C | . | . | P | Polyproline II helix | trans | -93.4 | 163.8 | 171.1 | -77.5 | 161.1 | 0 | 0 | 0 | 110.8 | V8 M10 A23 V27 F44 L70 I81 I82 G84 C243 | V8-L40 HydrophobicContact CB-CD2 3.96Å; V8-L40 HydrophobicContact CG1-CD2 3.88Å; M10-L40 HydrophobicContact SD-CD2 3.84Å; A23-L40 HydrophobicContact CB-CD2 4.3Å; V27-L40 HydrophobicContact CG2-CD1 4.32Å; V27-L40 HydrophobicContact CG2-CD2 4.19Å; V27-L40 HydrophobicContact CG2-CG 4.38Å; L40-F44 HydrophobicContact CB-CB 4.4Å; L40-F44 HydrophobicContact CB-CD1 4.3Å; L40-F44 HydrophobicContact CB-CG 4.26Å; L40-F44 HydrophobicContact CD1-CD1 4.38Å; L40-F44 HydrophobicContact CD1-CD2 4.22Å; L40-F44 HydrophobicContact CD1-CE1 4.23Å; L40-F44 HydrophobicContact CD1-CE2 4.08Å; L40-F44 HydrophobicContact CD1-CG 4.36Å; L40-F44 HydrophobicContact CD1-CZ 4.06Å; L40-F44 HydrophobicContact CD2-CD2 4.23Å; L40-F44 HydrophobicContact CD2-CG 4.4Å; L40-L70 HydrophobicContact CD1-CD2 3.54Å; L40-I81 HydrophobicContact CD1-CG2 4.43Å; L40-I82 PolarHBondContact N-O 3.13Å; L40-G84 VanDerWaalsContact C-CA 3.42Å; L40-G84 WeakPolarHBondContact O-CA 3.3Å; L40-C243 VanDerWaalsContact C-SG 3.52Å |
| 41 | P | 98.8 | Very high | 97.2 | Very high | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 13% | 0.129 | C | C | . | . | P | Polyproline II helix | trans | -84.4 | 169.9 | -177.3 | 32.9 | -33.5 | 0 | 0 | 0 | 113 | V8 M10 F44 G84 T85 P245 | V8-P41 VanDerWaalsContact O-CD 3.32Å; V8-P41 WeakPolarHBondContact O-CD 3.4Å; M10-P41 HydrophobicContact CG-CG 3.9Å; P41-F44 HydrophobicContact CG-CB 3.75Å; P41-G84 CarbonylContact O-C 3.53Å; P41-G84 WeakPolarHBondContact O-CA 3.31Å; P41-T85 PolarHBondContact O-N 3.16Å; P41-P245 HydrophobicContact CB-CG 3.91Å; P41-P245 VanDerWaalsContact CB-N 3.32Å; P41-P245 HydrophobicContact CG-CG 4.3Å |
| 42 | E | 98.6 | Very high | 97.1 | Very high | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 14% | 0.135 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.9 | 137.8 | 169.7 | -175 | 180 | -150.1 | 0 | 0 | 110.2 | F44 T85 N96 K113 I153 C154 P213 A215 P245 | E42-F44 VanDerWaalsContact C-N 3.32Å; E42-F44 PolarHBondContact O-N 3.05Å; E42-T85 WeakPolarHBondContact CA-OG1 3.4Å; E42-T85 HydrophobicContact CB-CG2 4.43Å; E42-T85 HydrophobicContact CG-CG2 4.19Å; E42-T85 VanDerWaalsContact CG-OG1 3.32Å; E42-T85 WeakPolarHBondContact CG-OG1 3.46Å; E42-N96 PolarHBondContact OE1-ND2 3.14Å; E42-K113 IonicContact OE1-NZ 2.7Å; E42-K113 PolarHBondContact OE1-NZ 2.85Å; E42-I153 HydrophobicContact CG-CG2 3.98Å; E42-I153 VanDerWaalsContact OE1-CG2 3.26Å; E42-I153 WeakPolarHBondContact OE1-CG2 3.27Å; E42-C154 VanDerWaalsContact CD-CB 3.49Å; E42-C154 WeakPolarHBondContact OE2-CB 3.46Å; E42-C154 PolarHBondContact OE2-SG 3.46Å; E42-P213 HydrophobicContact CB-CB 4.4Å; E42-A215 HydrophobicContact CB-CB 4.18Å; E42-A215 HydrophobicContact CG-CB 4.49Å; E42-A215 WeakPolarHBondContact OE2-CB 3.39Å; E42-A215 PolarHBondContact OE2-N 2.92Å; E42-P245 WeakPolarHBondContact O-CG 3.12Å |
| 43 | S | 97.5 | Very high | 97 | Very high | 14 Ų | 14 | 19 Ų | 19 | 10% | 0.098 | 11% | 0.107 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 50.1 | 49.2 | -178.3 | -59.3 | 0 | 0 | 0 | 0 | 112.1 | N45 I46 T85 | S43-N45 PolarHBondContact O-N 3.47Å; S43-I46 WeakPolarHBondContact CB-O 3.3Å; S43-T85 VanDerWaalsContact CA-O 3.29Å; S43-T85 WeakPolarHBondContact CA-O 3.28Å; S43-T85 PolarHBondContact N-O 3.29Å; S43-T85 PolarHBondContact N-OG1 2.96Å |
| 44 | F | 98.5 | Very high | 96.9 | Very high | 0 Ų | 0 | 23.8 Ų | 23.8 | 0% | 0 | 12% | 0.119 | C | C | . | . | S | Bend | trans | -69.6 | -23 | -175 | 84.3 | -87.8 | 0 | 0 | 0 | 113.1 | M10 L20 A23 L40 P41 E42 T66 L70 G83 T85 I86 | M10-F44 HydrophobicContact CE-CD2 4.43Å; M10-F44 HydrophobicContact SD-CB 3.97Å; M10-F44 HydrophobicContact SD-CD2 3.93Å; M10-F44 HydrophobicContact SD-CG 4.43Å; L20-F44 HydrophobicContact CD2-CE2 4.11Å; L20-F44 HydrophobicContact CD2-CZ 4.5Å; A23-F44 HydrophobicContact CB-CD2 3.92Å; A23-F44 HydrophobicContact CB-CE2 3.8Å; L40-F44 HydrophobicContact CB-CB 4.4Å; L40-F44 HydrophobicContact CB-CD1 4.3Å; L40-F44 HydrophobicContact CB-CG 4.26Å; L40-F44 HydrophobicContact CD1-CD1 4.38Å; L40-F44 HydrophobicContact CD1-CD2 4.22Å; L40-F44 HydrophobicContact CD1-CE1 4.23Å; L40-F44 HydrophobicContact CD1-CE2 4.08Å; L40-F44 HydrophobicContact CD1-CG 4.36Å; L40-F44 HydrophobicContact CD1-CZ 4.06Å; L40-F44 HydrophobicContact CD2-CD2 4.23Å; L40-F44 HydrophobicContact CD2-CG 4.4Å; P41-F44 HydrophobicContact CG-CB 3.75Å; E42-F44 VanDerWaalsContact C-N 3.32Å; E42-F44 PolarHBondContact O-N 3.05Å; F44-T66 HydrophobicContact CE1-CG2 3.96Å; F44-T66 HydrophobicContact CE2-CG2 4.41Å; F44-T66 HydrophobicContact CZ-CG2 3.44Å; F44-T66 VanDerWaalsContact CZ-CG2 3.44Å; F44-L70 HydrophobicContact CE1-CD1 4.18Å; F44-L70 HydrophobicContact CZ-CD1 3.98Å; F44-L70 HydrophobicContact CZ-CD2 4.03Å; F44-L70 HydrophobicContact CZ-CG 4.26Å; F44-G83 WeakPolarHBondContact CD1-O 3.49Å; F44-G83 VanDerWaalsContact CE1-O 3.28Å; F44-G83 WeakPolarHBondContact CE1-O 3.47Å; F44-T85 WeakPolarHBondContact CD1-O 3.38Å; F44-T85 PolarHBondContact N-O 3.33Å; F44-I86 HydrophobicContact CD1-CG2 4.15Å; F44-I86 HydrophobicContact CE1-CG2 3.58Å; F44-I86 HydrophobicContact CZ-CG2 4.38Å |
| 45 | N | 97.7 | Very high | 96.8 | Very high | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 14% | 0.137 | C | C | . | . | S | Bend | trans | -94.2 | -17.1 | -175.8 | 70.2 | -16 | 0 | 0 | 0 | 113.7 | K16 N19 L20 S43 T66 I86 | K16-N45 WeakPolarHBondContact CA-O 3.35Å; N19-N45 PolarHBondContact ND2-O 3.5Å; L20-N45 HydrophobicContact CD2-CB 4.05Å; S43-N45 PolarHBondContact O-N 3.47Å; N45-T66 PolarHBondContact ND2-OG1 2.87Å; N45-T66 VanDerWaalsContact ND2-OG1 3.15Å; N45-I86 HydrophobicContact CB-CG2 4.46Å; N45-I86 WeakPolarHBondContact ND2-CG2 3.42Å |
| 46 | I | 96.8 | Very high | 96.7 | Very high | 4 Ų | 4 | 30.6 Ų | 30.6 | 2% | 0.021 | 15% | 0.146 | C | C | . | . | S | Bend | trans | -146.8 | 158.8 | -179.5 | 58 | 151.1 | 0 | 0 | 0 | 112.1 | V12 K16 S43 F52 N56 P87 | V12-I46 VanDerWaalsContact CG1-C 3.45Å; V12-I46 WeakPolarHBondContact CG1-O 3.04Å; K16-I46 HydrophobicContact CB-CG2 4.43Å; K16-I46 HydrophobicContact CD-CG2 4.17Å; K16-I46 HydrophobicContact CG-CG2 4.28Å; S43-I46 WeakPolarHBondContact CB-O 3.3Å; I46-F52 HydrophobicContact CD1-CB 3.77Å; I46-N56 HydrophobicContact CD1-CB 4.26Å; I46-N56 HydrophobicContact CG2-CB 3.63Å; I46-P87 HydrophobicContact CD1-CB 4.38Å; I46-P87 HydrophobicContact CD1-CG 3.6Å; I46-P87 HydrophobicContact CG1-CG 4.11Å |
| 47 | P | 94.8 | Very high | 96.7 | Very high | 19 Ų | 19 | 28.1 Ų | 28.1 | 12% | 0.123 | 14% | 0.14 | C | C | . | . | trans | -58.6 | 146.7 | 174.1 | -20.3 | 32.4 | 0 | 0 | 0 | 112.4 | T13 A14 G49 F52 | T13-P47 VanDerWaalsContact O-CD 3.28Å; T13-P47 WeakPolarHBondContact O-CD 3.36Å; T13-P47 WeakPolarHBondContact O-CG 3.42Å; A14-P47 HydrophobicContact CB-CG 4.32Å; P47-G49 PolarHBondContact O-N 3.32Å; P47-F52 HydrophobicContact CB-CD2 3.82Å; P47-F52 HydrophobicContact CB-CE2 3.7Å; P47-F52 HydrophobicContact CB-CG 4.33Å; P47-F52 HydrophobicContact CB-CZ 4.08Å; P47-F52 HydrophobicContact CG-CD1 4.45Å; P47-F52 HydrophobicContact CG-CD2 4.44Å; P47-F52 HydrophobicContact CG-CE1 4.33Å; P47-F52 HydrophobicContact CG-CE2 4.34Å; P47-F52 HydrophobicContact CG-CZ 4.28Å; P47-F52 WeakPolarHBondContact O-CD2 3.28Å | ||
| 48 | F | 93.5 | Very high | 96.6 | Very high | 22 Ų | 22 | 29.1 Ų | 29.1 | 10% | 0.096 | 15% | 0.145 | C | C | . | . | S | Bend | trans | -69.9 | 119.6 | 174.6 | -176.3 | -89.9 | 0 | 0 | 0 | 111 | F117 Y127 A215 T253 | F48-F117 HydrophobicContact CE1-CD1 4.35Å; F48-F117 HydrophobicContact CZ-CD1 4.11Å; F48-Y127 HydrophobicContact CE1-CD1 4.31Å; F48-Y127 AromaticContact CE1-CE1 3.7Å; F48-Y127 HydrophobicContact CE1-CE1 3.7Å; F48-Y127 HydrophobicContact CE1-CE2 4.21Å; F48-Y127 AromaticContact CE1-CZ 3.65Å; F48-Y127 AromaticContact CZ-CE1 3.75Å; F48-Y127 HydrophobicContact CZ-CE1 3.75Å; F48-A215 HydrophobicContact CD2-CB 4.3Å; F48-T253 HydrophobicContact CD1-CG2 3.84Å; F48-T253 HydrophobicContact CE1-CG2 4.45Å |
| 49 | G | 92.8 | Very high | 96.6 | Very high | 6 Ų | 6 | 30.5 Ų | 30.5 | 6% | 0.062 | 16% | 0.156 | C | C | . | . | S | Bend | trans | 160.7 | 142 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | P47 E51 F52 Y127 | P47-G49 PolarHBondContact O-N 3.32Å; G49-E51 PolarHBondContact O-N 3.04Å; G49-F52 PolarHBondContact O-N 3.21Å; G49-F52 VanDerWaalsContact O-N 3.1Å; G49-Y127 WeakPolarHBondContact CA-OH 3.47Å |
| 50 | N | 94.4 | Very high | 96.4 | Very high | 23 Ų | 23 | 31 Ų | 31 | 12% | 0.123 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -55.8 | -32 | 179.2 | -81.6 | -2.7 | 0 | 0 | 0 | 113.5 | F52 V53 Y127 K128 E129 V132 | N50-F52 PolarHBondContact O-N 3.33Å; N50-V53 PolarHBondContact O-N 2.98Å; N50-Y127 PolarHBondContact N-OH 2.94Å; N50-Y127 VanDerWaalsContact N-OH 3.11Å; N50-Y127 PolarHBondContact OD1-OH 2.85Å; N50-K128 PolarHBondContact ND2-O 3.43Å; N50-E129 PolarHBondContact OD1-O 3.11Å; N50-V132 HydrophobicContact CB-CB 4.2Å; N50-V132 HydrophobicContact CB-CG2 3.71Å |
| 51 | E | 94.8 | Very high | 96.2 | Very high | 79 Ų | 79 | 36.5 Ų | 36.5 | 37% | 0.369 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -63.6 | -24.3 | 179.3 | 63.3 | -90.9 | -139.8 | 0 | 0 | 113.6 | G49 K252 | G49-E51 PolarHBondContact O-N 3.04Å; E51-K252 WeakPolarHBondContact OE1-CD 3.46Å; E51-K252 WeakPolarHBondContact OE1-CE 3.11Å; E51-K252 IonicContact OE1-NZ 3.28Å; E51-K252 PolarHBondContact OE1-NZ 2.99Å; E51-K252 IonicContact OE2-NZ 4Å |
| 52 | F | 95.5 | Very high | 95.9 | Very high | 58 Ų | 58 | 38.5 Ų | 38.5 | 25% | 0.254 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -92.1 | -13.7 | -178.5 | -57.3 | -69.3 | 0 | 0 | 0 | 112.7 | I46 P47 G49 N50 N56 | I46-F52 HydrophobicContact CD1-CB 3.77Å; P47-F52 HydrophobicContact CB-CD2 3.82Å; P47-F52 HydrophobicContact CB-CE2 3.7Å; P47-F52 HydrophobicContact CB-CG 4.33Å; P47-F52 HydrophobicContact CB-CZ 4.08Å; P47-F52 HydrophobicContact CG-CD1 4.45Å; P47-F52 HydrophobicContact CG-CD2 4.44Å; P47-F52 HydrophobicContact CG-CE1 4.33Å; P47-F52 HydrophobicContact CG-CE2 4.34Å; P47-F52 HydrophobicContact CG-CZ 4.28Å; P47-F52 WeakPolarHBondContact O-CD2 3.28Å; G49-F52 PolarHBondContact O-N 3.21Å; G49-F52 VanDerWaalsContact O-N 3.1Å; N50-F52 PolarHBondContact O-N 3.33Å; F52-N56 WeakPolarHBondContact O-CB 3.13Å; F52-N56 PolarHBondContact O-N 3.42Å; F52-N56 PolarHBondContact O-ND2 3.36Å |
| 53 | V | 96.5 | Very high | 95.6 | Very high | 10 Ų | 10 | 41 Ų | 41 | 6% | 0.061 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -67.2 | -54.2 | -168.9 | 173.5 | 0 | 0 | 0 | 0 | 111.8 | N50 D55 N56 A57 P87 F94 V132 I133 | N50-V53 PolarHBondContact O-N 2.98Å; V53-D55 VanDerWaalsContact C-N 3.33Å; V53-D55 PolarHBondContact O-N 3.33Å; V53-N56 PolarHBondContact O-N 3.07Å; V53-A57 WeakPolarHBondContact O-CB 3.04Å; V53-A57 PolarHBondContact O-N 3.23Å; V53-P87 HydrophobicContact CB-CB 4.46Å; V53-P87 HydrophobicContact CG1-CB 3.96Å; V53-F94 HydrophobicContact CG1-CB 3.82Å; V53-F94 HydrophobicContact CG1-CD1 3.75Å; V53-F94 HydrophobicContact CG1-CG 3.91Å; V53-V132 HydrophobicContact CB-CG1 3.96Å; V53-V132 HydrophobicContact CG1-CG1 3.8Å; V53-V132 HydrophobicContact CG2-CG1 4.48Å; V53-I133 HydrophobicContact CB-CD1 4.48Å; V53-I133 HydrophobicContact CG1-CD1 3.74Å; V53-I133 HydrophobicContact CG2-CD1 3.93Å |
| 54 | R | 95.7 | Very high | 95.4 | Very high | 150 Ų | 150 | 41.5 Ų | 41.5 | 57% | 0.566 | 23% | 0.233 | S | C | * | . | H | α-helix | trans | -62.5 | -40.5 | -169.4 | -66.7 | -176.6 | -176.5 | -90.8 | -2.6 | 112.5 | N56 F94 V132 | R54-N56 VanDerWaalsContact C-N 3.32Å; R54-N56 PolarHBondContact O-N 3.4Å; R54-F94 HydrophobicContact CB-CE1 4.48Å; R54-F94 HydrophobicContact CB-CZ 4.29Å; R54-F94 HydrophobicContact CG-CE1 4.34Å; R54-F94 HydrophobicContact CG-CE2 4.08Å; R54-F94 HydrophobicContact CG-CZ 3.9Å; R54-V132 HydrophobicContact CG-CG1 4.37Å |
| 55 | D | 95.5 | Very high | 95.2 | Very high | 144 Ų | 144 | 48 Ų | 48 | 77% | 0.77 | 26% | 0.258 | S | S | * | . | H | α-helix | trans | -80.2 | -14.7 | -175.9 | -61.7 | -21.2 | 0 | 0 | 0 | 113.1 | V53 | V53-D55 VanDerWaalsContact C-N 3.33Å; V53-D55 PolarHBondContact O-N 3.33Å |
| 56 | N | 96.6 | Very high | 95.2 | Very high | 38 Ų | 38 | 48 Ų | 48 | 20% | 0.203 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -120.9 | -2.1 | -174.4 | -66.8 | -84.5 | 0 | 0 | 0 | 114.5 | K16 I46 F52 V53 R54 P87 | K16-N56 PolarHBondContact NZ-O 2.85Å; I46-N56 HydrophobicContact CD1-CB 4.26Å; I46-N56 HydrophobicContact CG2-CB 3.63Å; F52-N56 WeakPolarHBondContact O-CB 3.13Å; F52-N56 PolarHBondContact O-N 3.42Å; F52-N56 PolarHBondContact O-ND2 3.36Å; V53-N56 PolarHBondContact O-N 3.07Å; R54-N56 VanDerWaalsContact C-N 3.32Å; R54-N56 PolarHBondContact O-N 3.4Å; N56-P87 HydrophobicContact CB-CG 4.37Å |
| 57 | A | 97.3 | Very high | 95.3 | Very high | 23 Ų | 23 | 48.9 Ų | 48.9 | 19% | 0.19 | 26% | 0.262 | C | S | . | . | trans | -62.4 | 136.4 | -178.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | V53 P87 I89 F94 | V53-A57 WeakPolarHBondContact O-CB 3.04Å; V53-A57 PolarHBondContact O-N 3.23Å; A57-P87 VanDerWaalsContact CA-O 3.28Å; A57-P87 WeakPolarHBondContact CA-O 3.44Å; A57-P87 HydrophobicContact CB-CB 4.16Å; A57-I89 HydrophobicContact CB-CB 3.89Å; A57-I89 HydrophobicContact CB-CG2 4.14Å; A57-F94 HydrophobicContact CB-CD1 3.67Å; A57-F94 HydrophobicContact CB-CE1 3.69Å | ||
| 58 | E | 97.6 | Very high | 95.5 | Very high | 21 Ų | 21 | 53.8 Ų | 53.8 | 10% | 0.098 | 28% | 0.283 | C | S | . | . | B | Isolated β-bridge | trans | -114.7 | 146.4 | 175.4 | -72.4 | 178.2 | -133.2 | 0 | 0 | 109.9 | K16 G64 R65 T66 I86 P87 E88 I89 | K16-E58 WeakPolarHBondContact CE-OE1 3.24Å; K16-E58 IonicContact NZ-OE1 3.93Å; K16-E58 PolarHBondContact NZ-OE1 2.79Å; E58-G64 WeakPolarHBondContact OE2-CA 3.32Å; E58-R65 PolarHBondContact OE2-N 3.31Å; E58-T66 WeakPolarHBondContact OE1-CB 3.4Å; E58-T66 PolarHBondContact OE1-OG1 3.42Å; E58-T66 WeakPolarHBondContact OE2-CB 3.35Å; E58-T66 PolarHBondContact OE2-N 3.49Å; E58-T66 PolarHBondContact OE2-OG1 2.98Å; E58-I86 HydrophobicContact CB-CD1 4.3Å; E58-P87 PolarHBondContact N-O 3.49Å; E58-E88 CarbonylContact O-C 3.57Å; E58-E88 VanDerWaalsContact O-CA 3.26Å; E58-E88 WeakPolarHBondContact O-CA 3.49Å; E58-I89 PolarHBondContact O-N 3.08Å |
| 59 | A | 97.5 | Very high | 95.7 | Very high | 29 Ų | 29 | 53.8 Ų | 53.8 | 24% | 0.24 | 28% | 0.284 | C | S | . | . | trans | -71.6 | 138.4 | 166.2 | 0 | 0 | 0 | 0 | 0 | 108.8 | D61 | A59-D61 VanDerWaalsContact C-N 3.29Å; A59-D61 HydrophobicContact CB-CB 4.42Å; A59-D61 PolarHBondContact O-N 3.42Å | ||
| 60 | L | 96.1 | Very high | 96 | Very high | 11 Ų | 11 | 53.5 Ų | 53.5 | 6% | 0.058 | 28% | 0.281 | C | S | . | . | S | Bend | trans | -95.1 | 58.3 | 171.3 | -71.5 | 179.2 | 0 | 0 | 0 | 109.8 | I86 E88 P99 M107 R110 | L60-I86 HydrophobicContact CD2-CD1 3.62Å; L60-I86 HydrophobicContact CD2-CG1 4.46Å; L60-I86 HydrophobicContact CG-CD1 4.26Å; L60-E88 HydrophobicContact CD1-CB 4.19Å; L60-E88 HydrophobicContact CD1-CG 4.18Å; L60-E88 HydrophobicContact CG-CB 4.4Å; L60-E88 HydrophobicContact CG-CG 4.23Å; L60-P99 HydrophobicContact CD1-CB 4.23Å; L60-P99 HydrophobicContact CD2-CB 4.04Å; L60-P99 HydrophobicContact CD2-CG 4.28Å; L60-M107 HydrophobicContact CB-CE 4.22Å; L60-M107 HydrophobicContact CB-SD 4.21Å; L60-M107 HydrophobicContact CD2-SD 4.12Å; L60-M107 WeakPolarHBondContact O-CE 3.48Å; L60-R110 HydrophobicContact CD1-CB 4.22Å |
| 61 | D | 94.2 | Very high | 96.2 | Very high | 115 Ų | 115 | 53.8 Ų | 53.8 | 62% | 0.615 | 29% | 0.285 | S | S | * | . | S | Bend | trans | -114.3 | 12.6 | -176.4 | 63.5 | 1.1 | 0 | 0 | 0 | 113.3 | A59 S63 | A59-D61 VanDerWaalsContact C-N 3.29Å; A59-D61 HydrophobicContact CB-CB 4.42Å; A59-D61 PolarHBondContact O-N 3.42Å; D61-S63 VanDerWaalsContact OD1-CB 3.27Å; D61-S63 WeakPolarHBondContact OD1-CB 3.29Å; D61-S63 PolarHBondContact OD1-N 3.19Å; D61-S63 PolarHBondContact OD1-OG 2.97Å |
| 62 | G | 92.4 | Very high | 96.4 | Very high | 42 Ų | 42 | 52.4 Ų | 52.4 | 43% | 0.433 | 28% | 0.284 | S | S | . | . | S | Bend | trans | 91.9 | 1.4 | -174 | 0 | 0 | 0 | 0 | 0 | 113.9 | H67 | G62-H67 WeakPolarHBondContact CA-NE2 3.27Å; G62-H67 PolarHBondContact O-CD2 3.41Å; G62-H67 PolarHBondContact O-NE2 3.19Å |
| 63 | S | 92.3 | Very high | 96.5 | Very high | 54 Ų | 54 | 49.6 Ų | 49.6 | 38% | 0.378 | 27% | 0.272 | S | S | . | . | trans | -106.1 | 171.6 | 170.9 | 76.7 | 0 | 0 | 0 | 0 | 111.9 | D61 H67 | D61-S63 VanDerWaalsContact OD1-CB 3.27Å; D61-S63 WeakPolarHBondContact OD1-CB 3.29Å; D61-S63 PolarHBondContact OD1-N 3.19Å; D61-S63 PolarHBondContact OD1-OG 2.97Å; S63-H67 VanDerWaalsContact O-CB 3.22Å; S63-H67 WeakPolarHBondContact O-CB 3.37Å | ||
| 64 | G | 93.2 | Very high | 96.6 | Very high | 23 Ų | 23 | 49.1 Ų | 49.1 | 24% | 0.237 | 27% | 0.269 | C | S | . | . | S | Bend | trans | 98.6 | 148.4 | 173.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | E58 T66 H67 E68 | E58-G64 WeakPolarHBondContact OE2-CA 3.32Å; G64-T66 VanDerWaalsContact C-N 3.28Å; G64-T66 PolarHBondContact O-N 2.7Å; G64-H67 PolarHBondContact O-N 2.56Å; G64-E68 WeakPolarHBondContact O-CG 3.41Å; G64-E68 PolarHBondContact O-N 2.73Å |
| 65 | R | 94.7 | Very high | 96.8 | Very high | 136 Ų | 136 | 48.8 Ų | 48.8 | 51% | 0.513 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -63.5 | -35.8 | -173.7 | -65.4 | -179.4 | 66.8 | -173.6 | -1 | 112 | D17 L20 E58 L69 | D17-R65 IonicContact OD1-CZ 2.88Å; D17-R65 IonicContact OD1-NH1 2.62Å; D17-R65 PolarHBondContact OD1-NH1 3.26Å; D17-R65 IonicContact OD1-NH2 2.73Å; D17-R65 PolarHBondContact OD1-NH2 3.39Å; D17-R65 VanDerWaalsContact OD1-NH2 3.12Å; D17-R65 IonicContact OD2-CZ 3.94Å; D17-R65 IonicContact OD2-NH1 3.52Å; D17-R65 PolarHBondContact OD2-NH1 3.15Å; D17-R65 IonicContact OD2-NH2 3.28Å; D17-R65 PolarHBondContact OD2-NH2 3.32Å; L20-R65 HydrophobicContact CD1-CB 4.11Å; E58-R65 PolarHBondContact OE2-N 3.31Å; R65-L69 WeakPolarHBondContact O-CB 3.32Å; R65-L69 PolarHBondContact O-N 2.86Å; R65-L69 VanDerWaalsContact O-N 3.12Å |
| 66 | T | 98.1 | Very high | 96.9 | Very high | 1 Ų | 1 | 48.4 Ų | 48.4 | 1% | 0.006 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -70.7 | -39.6 | 178.9 | -53.3 | 0 | 0 | 0 | 0 | 110.6 | L20 F44 N45 E58 G64 L70 I86 | L20-T66 HydrophobicContact CD2-CG2 4.08Å; F44-T66 HydrophobicContact CE1-CG2 3.96Å; F44-T66 HydrophobicContact CE2-CG2 4.41Å; F44-T66 HydrophobicContact CZ-CG2 3.44Å; F44-T66 VanDerWaalsContact CZ-CG2 3.44Å; N45-T66 PolarHBondContact ND2-OG1 2.87Å; N45-T66 VanDerWaalsContact ND2-OG1 3.15Å; E58-T66 WeakPolarHBondContact OE1-CB 3.4Å; E58-T66 PolarHBondContact OE1-OG1 3.42Å; E58-T66 WeakPolarHBondContact OE2-CB 3.35Å; E58-T66 PolarHBondContact OE2-N 3.49Å; E58-T66 PolarHBondContact OE2-OG1 2.98Å; G64-T66 VanDerWaalsContact C-N 3.28Å; G64-T66 PolarHBondContact O-N 2.7Å; T66-L70 HydrophobicContact CG2-CD1 4.16Å; T66-L70 HydrophobicContact CG2-CG 4.41Å; T66-L70 WeakPolarHBondContact O-CG 3.48Å; T66-L70 PolarHBondContact O-N 3.05Å; T66-L70 VanDerWaalsContact O-N 3.11Å; T66-I86 HydrophobicContact CG2-CG2 3.78Å |
| 67 | H | 97.9 | Very high | 97 | Very high | 23 Ų | 23 | 49.5 Ų | 49.5 | 11% | 0.106 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -61.9 | -51.8 | 174.5 | 175 | 76.7 | 0 | 0 | 0 | 112 | G62 S63 G64 L69 L70 S71 Y101 | G62-H67 WeakPolarHBondContact CA-NE2 3.27Å; G62-H67 PolarHBondContact O-CD2 3.41Å; G62-H67 PolarHBondContact O-NE2 3.19Å; S63-H67 VanDerWaalsContact O-CB 3.22Å; S63-H67 WeakPolarHBondContact O-CB 3.37Å; G64-H67 PolarHBondContact O-N 2.56Å; H67-L69 VanDerWaalsContact C-N 3.27Å; H67-L69 PolarHBondContact O-N 2.91Å; H67-L70 PolarHBondContact O-N 3.3Å; H67-S71 WeakPolarHBondContact O-CB 3.35Å; H67-S71 PolarHBondContact O-N 3.02Å; H67-Y101 WeakPolarHBondContact CA-OH 3.35Å; H67-Y101 AromaticContact CE1-CE1 3.65Å; H67-Y101 AromaticContact ND1-CE1 3.47Å; H67-Y101 WeakPolarHBondContact ND1-CE1 3.15Å; H67-Y101 AromaticContact ND1-CZ 3.67Å; H67-Y101 PolarHBondContact ND1-OH 2.88Å |
| 68 | E | 97.9 | Very high | 97.1 | Very high | 121 Ų | 121 | 52.1 Ų | 52.1 | 57% | 0.565 | 27% | 0.274 | S | S | * | . | H | α-helix | trans | -55.7 | -43.4 | -179.6 | -73 | 170.6 | -172.4 | 0 | 0 | 111.7 | G64 S72 | G64-E68 WeakPolarHBondContact O-CG 3.41Å; G64-E68 PolarHBondContact O-N 2.73Å; E68-S72 WeakPolarHBondContact O-CB 3.31Å; E68-S72 PolarHBondContact O-N 2.91Å |
| 69 | L | 98.6 | Very high | 97.1 | Very high | 23 Ų | 23 | 51.3 Ų | 51.3 | 12% | 0.12 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -62.1 | -53.8 | 176.9 | 176.3 | 64.3 | 0 | 0 | 0 | 112 | L20 A23 E24 R65 H67 S72 L73 | L20-L69 HydrophobicContact CB-CD2 3.92Å; L20-L69 HydrophobicContact CD2-CD2 3.87Å; L20-L69 HydrophobicContact CG-CD2 4.44Å; L20-L69 WeakPolarHBondContact O-CD2 3.41Å; A23-L69 HydrophobicContact CB-CD2 4.47Å; E24-L69 HydrophobicContact CB-CD1 3.86Å; E24-L69 HydrophobicContact CG-CD1 3.95Å; R65-L69 WeakPolarHBondContact O-CB 3.32Å; R65-L69 PolarHBondContact O-N 2.86Å; R65-L69 VanDerWaalsContact O-N 3.12Å; H67-L69 VanDerWaalsContact C-N 3.27Å; H67-L69 PolarHBondContact O-N 2.91Å; L69-S72 PolarHBondContact O-N 3.01Å; L69-L73 HydrophobicContact CD1-CD1 3.73Å; L69-L73 HydrophobicContact CD1-CG 4.11Å; L69-L73 HydrophobicContact CD2-CD1 4.45Å; L69-L73 HydrophobicContact CG-CD1 3.77Å; L69-L73 WeakPolarHBondContact O-CB 3.5Å; L69-L73 VanDerWaalsContact O-CG 3.31Å; L69-L73 WeakPolarHBondContact O-CG 3.25Å; L69-L73 PolarHBondContact O-N 2.83Å |
| 70 | L | 98.8 | Very high | 97.2 | Very high | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -67.4 | -40.8 | -175.2 | -64.9 | -177.7 | 0 | 0 | 0 | 111.6 | L40 F44 T66 H67 L73 A74 I81 P99 Y101 | L40-L70 HydrophobicContact CD1-CD2 3.54Å; F44-L70 HydrophobicContact CE1-CD1 4.18Å; F44-L70 HydrophobicContact CZ-CD1 3.98Å; F44-L70 HydrophobicContact CZ-CD2 4.03Å; F44-L70 HydrophobicContact CZ-CG 4.26Å; T66-L70 HydrophobicContact CG2-CD1 4.16Å; T66-L70 HydrophobicContact CG2-CG 4.41Å; T66-L70 WeakPolarHBondContact O-CG 3.48Å; T66-L70 PolarHBondContact O-N 3.05Å; T66-L70 VanDerWaalsContact O-N 3.11Å; H67-L70 PolarHBondContact O-N 3.3Å; L70-L73 PolarHBondContact O-N 3.23Å; L70-A74 WeakPolarHBondContact O-CB 3.29Å; L70-A74 PolarHBondContact O-N 2.92Å; L70-I81 HydrophobicContact CD2-CG2 4.26Å; L70-P99 HydrophobicContact CD1-CG 4.29Å; L70-Y101 HydrophobicContact CB-CD2 3.9Å; L70-Y101 HydrophobicContact CB-CE1 4.2Å; L70-Y101 HydrophobicContact CB-CE2 3.54Å; L70-Y101 HydrophobicContact CB-CG 4.4Å; L70-Y101 HydrophobicContact CD1-CD2 4.33Å; L70-Y101 HydrophobicContact CD1-CE2 3.61Å; L70-Y101 HydrophobicContact CG-CE2 4.24Å |
| 71 | S | 98.7 | Very high | 97.3 | Very high | 29 Ų | 29 | 49.6 Ų | 49.6 | 20% | 0.203 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -57.9 | -50.3 | 173.8 | 176.3 | 0 | 0 | 0 | 0 | 111.2 | H67 L73 A74 K75 G105 | H67-S71 WeakPolarHBondContact O-CB 3.35Å; H67-S71 PolarHBondContact O-N 3.02Å; S71-L73 PolarHBondContact O-N 3.24Å; S71-A74 PolarHBondContact O-N 3.4Å; S71-K75 WeakPolarHBondContact O-CB 3.34Å; S71-K75 PolarHBondContact O-N 2.9Å; S71-K75 VanDerWaalsContact O-N 3.09Å; S71-G105 VanDerWaalsContact CB-O 3.29Å; S71-G105 WeakPolarHBondContact CB-O 3.27Å; S71-G105 VanDerWaalsContact O-CA 3.28Å; S71-G105 WeakPolarHBondContact O-CA 3.3Å; S71-G105 PolarHBondContact OG-O 2.88Å |
| 72 | S | 98.6 | Very high | 97.5 | Very high | 49 Ų | 49 | 44.1 Ų | 44.1 | 34% | 0.343 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -60.8 | -46 | 178.1 | 175.7 | 0 | 0 | 0 | 0 | 112 | E68 L69 K75 R76 | E68-S72 WeakPolarHBondContact O-CB 3.31Å; E68-S72 PolarHBondContact O-N 2.91Å; L69-S72 PolarHBondContact O-N 3.01Å; S72-K75 PolarHBondContact O-N 2.91Å; S72-R76 VanDerWaalsContact O-CB 3.25Å; S72-R76 WeakPolarHBondContact O-CB 3.46Å; S72-R76 VanDerWaalsContact O-CG 3.24Å; S72-R76 WeakPolarHBondContact O-CG 3.31Å; S72-R76 PolarHBondContact O-N 2.82Å; S72-R76 PolarHBondContact OG-NE 3.33Å; S72-R76 VanDerWaalsContact OG-NE 3.12Å |
| 73 | L | 98.8 | Very high | 97.8 | Very high | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -61.8 | -48 | 178.9 | -78.7 | 167.4 | 0 | 0 | 0 | 112.1 | E24 V27 L69 L70 S71 K75 R76 H77 I81 | E24-L73 HydrophobicContact CG-CD2 3.99Å; V27-L73 HydrophobicContact CB-CD1 3.99Å; V27-L73 HydrophobicContact CB-CD2 4.33Å; V27-L73 HydrophobicContact CG1-CB 4.07Å; V27-L73 HydrophobicContact CG1-CD1 3.95Å; V27-L73 HydrophobicContact CG1-CD2 4.05Å; V27-L73 HydrophobicContact CG1-CG 4.27Å; V27-L73 HydrophobicContact CG2-CD1 4.32Å; L69-L73 HydrophobicContact CD1-CD1 3.73Å; L69-L73 HydrophobicContact CD1-CG 4.11Å; L69-L73 HydrophobicContact CD2-CD1 4.45Å; L69-L73 HydrophobicContact CG-CD1 3.77Å; L69-L73 WeakPolarHBondContact O-CB 3.5Å; L69-L73 VanDerWaalsContact O-CG 3.31Å; L69-L73 WeakPolarHBondContact O-CG 3.25Å; L69-L73 PolarHBondContact O-N 2.83Å; L70-L73 PolarHBondContact O-N 3.23Å; S71-L73 PolarHBondContact O-N 3.24Å; L73-K75 VanDerWaalsContact C-N 3.32Å; L73-K75 PolarHBondContact O-N 3.29Å; L73-R76 PolarHBondContact O-N 3.16Å; L73-H77 WeakPolarHBondContact O-CB 3.28Å; L73-H77 PolarHBondContact O-CD2 2.85Å; L73-H77 PolarHBondContact O-N 3.21Å; L73-I81 HydrophobicContact CB-CD1 3.75Å |
| 74 | A | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -59 | -45.7 | 179.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | L70 S71 D78 V79 I81 N102 | L70-A74 WeakPolarHBondContact O-CB 3.29Å; L70-A74 PolarHBondContact O-N 2.92Å; S71-A74 PolarHBondContact O-N 3.4Å; A74-D78 WeakPolarHBondContact O-CA 3.29Å; A74-D78 PolarHBondContact O-N 3.3Å; A74-V79 PolarHBondContact O-N 2.67Å; A74-I81 HydrophobicContact CB-CD1 3.8Å; A74-I81 HydrophobicContact CB-CG1 3.94Å; A74-N102 WeakPolarHBondContact CB-O 3.39Å |
| 75 | K | 98.6 | Very high | 98.4 | Very high | 143 Ų | 143 | 38.5 Ų | 38.5 | 62% | 0.622 | 18% | 0.178 | S | C | * | . | H | α-helix | trans | -66.5 | -49.3 | 177.7 | -171 | 176.9 | -176.2 | 173.9 | 0 | 113.4 | S71 S72 L73 H77 D78 R103 Q104 | S71-K75 WeakPolarHBondContact O-CB 3.34Å; S71-K75 PolarHBondContact O-N 2.9Å; S71-K75 VanDerWaalsContact O-N 3.09Å; S72-K75 PolarHBondContact O-N 2.91Å; L73-K75 VanDerWaalsContact C-N 3.32Å; L73-K75 PolarHBondContact O-N 3.29Å; K75-H77 VanDerWaalsContact C-N 3.29Å; K75-H77 PolarHBondContact O-N 2.97Å; K75-D78 PolarHBondContact O-N 3.23Å; K75-R103 WeakPolarHBondContact CA-O 3.4Å; K75-Q104 WeakPolarHBondContact CD-O 3.39Å |
| 76 | R | 98.5 | Very high | 98.5 | Very high | 135 Ų | 135 | 32 Ų | 32 | 51% | 0.509 | 15% | 0.154 | S | C | . | . | H | α-helix | trans | -64.6 | -35.5 | -176.3 | -77.1 | -169.9 | -64.1 | 150.7 | -7.6 | 112.3 | E24 S72 L73 | E24-R76 IonicContact OE1-CZ 3.83Å; E24-R76 IonicContact OE1-NH1 2.91Å; E24-R76 IonicContact OE1-NH2 3.72Å; E24-R76 PolarHBondContact OE1-NH2 2.87Å; S72-R76 VanDerWaalsContact O-CB 3.25Å; S72-R76 WeakPolarHBondContact O-CB 3.46Å; S72-R76 VanDerWaalsContact O-CG 3.24Å; S72-R76 WeakPolarHBondContact O-CG 3.31Å; S72-R76 PolarHBondContact O-N 2.82Å; S72-R76 PolarHBondContact OG-NE 3.33Å; S72-R76 VanDerWaalsContact OG-NE 3.12Å; L73-R76 PolarHBondContact O-N 3.16Å |
| 77 | H | 98.6 | Very high | 98.5 | Very high | 61 Ų | 61 | 32.2 Ų | 32.2 | 28% | 0.282 | 16% | 0.155 | S | C | . | . | H | α-helix | trans | -100.2 | -3 | -175.5 | -68.3 | -64.5 | 0 | 0 | 0 | 113.9 | A31 L73 K75 V79 | A31-H77 HydrophobicContact CB-CB 3.55Å; L73-H77 WeakPolarHBondContact O-CB 3.28Å; L73-H77 PolarHBondContact O-CD2 2.85Å; L73-H77 PolarHBondContact O-N 3.21Å; K75-H77 VanDerWaalsContact C-N 3.29Å; K75-H77 PolarHBondContact O-N 2.97Å; H77-V79 HydrophobicContact CB-CG1 4.41Å; H77-V79 HydrophobicContact CB-CG2 3.98Å; H77-V79 WeakPolarHBondContact O-CG1 3.46Å; H77-V79 PolarHBondContact O-N 2.6Å |
| 78 | D | 98.2 | Very high | 98.6 | Very high | 79 Ų | 79 | 31.1 Ų | 31.1 | 42% | 0.422 | 15% | 0.15 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 56.5 | 47.5 | 177.3 | -172.7 | 27.7 | 0 | 0 | 0 | 112.7 | A74 K75 R103 | A74-D78 WeakPolarHBondContact O-CA 3.29Å; A74-D78 PolarHBondContact O-N 3.3Å; K75-D78 PolarHBondContact O-N 3.23Å; D78-R103 PolarHBondContact O-NE 3.11Å; D78-R103 VanDerWaalsContact O-NE 3.16Å; D78-R103 PolarHBondContact O-NH2 3.16Å; D78-R103 VanDerWaalsContact O-NH2 3.11Å; D78-R103 IonicContact OD1-CZ 2.83Å; D78-R103 IonicContact OD1-NE 2.89Å; D78-R103 PolarHBondContact OD1-NE 3.46Å; D78-R103 IonicContact OD1-NH2 3.12Å; D78-R103 PolarHBondContact OD1-NH2 3.01Å; D78-R103 IonicContact OD2-CZ 2.74Å; D78-R103 IonicContact OD2-NE 3.14Å; D78-R103 IonicContact OD2-NH2 3.32Å; D78-R103 PolarHBondContact OD2-NH2 3.26Å |
| 79 | V | 98.6 | Very high | 98.6 | Very high | 4 Ų | 4 | 28.3 Ų | 28.3 | 2% | 0.024 | 14% | 0.138 | C | C | . | . | trans | -129.9 | 155.4 | -175.6 | -66 | 0 | 0 | 0 | 0 | 111.7 | A31 A35 I38 A74 H77 I81 | A31-V79 HydrophobicContact CB-CG1 4.18Å; A35-V79 WeakPolarHBondContact O-CG1 3.29Å; I38-V79 HydrophobicContact CD1-CB 4.32Å; I38-V79 HydrophobicContact CD1-CG1 4.28Å; I38-V79 HydrophobicContact CD1-CG2 3.91Å; A74-V79 PolarHBondContact O-N 2.67Å; H77-V79 HydrophobicContact CB-CG1 4.41Å; H77-V79 HydrophobicContact CB-CG2 3.98Å; H77-V79 WeakPolarHBondContact O-CG1 3.46Å; H77-V79 PolarHBondContact O-N 2.6Å; V79-I81 HydrophobicContact CG2-CD1 4.49Å; V79-I81 HydrophobicContact CG2-CG1 4.12Å | ||
| 80 | Y | 98.8 | Very high | 98.5 | Very high | 4 Ų | 4 | 30 Ų | 30 | 2% | 0.016 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.3 | 140.4 | 163.9 | -64.4 | -78.6 | 0 | 0 | 0 | 110.3 | K36 V37 I38 Y101 N102 R103 F142 T144 E145 F146 | K36-Y80 PolarHBondContact O-N 3.24Å; V37-Y80 WeakPolarHBondContact CA-O 3.46Å; V37-Y80 HydrophobicContact CG2-CD2 4.31Å; I38-Y80 PolarHBondContact N-O 2.99Å; Y80-Y101 WeakPolarHBondContact CA-O 3.37Å; Y80-N102 HydrophobicContact CD1-CB 4.39Å; Y80-N102 HydrophobicContact CE1-CB 4.13Å; Y80-R103 HydrophobicContact CD1-CG 4.26Å; Y80-R103 HydrophobicContact CD2-CG 4.04Å; Y80-R103 HydrophobicContact CE1-CG 3.99Å; Y80-R103 HydrophobicContact CE2-CG 3.74Å; Y80-R103 HydrophobicContact CG-CG 4.3Å; Y80-F142 HydrophobicContact CD1-CE1 4.22Å; Y80-F142 HydrophobicContact CD1-CE2 4.26Å; Y80-F142 AromaticContact CD1-CZ 3.55Å; Y80-F142 HydrophobicContact CD1-CZ 3.55Å; Y80-F142 HydrophobicContact CE1-CZ 4.3Å; Y80-F142 HydrophobicContact CG-CZ 4.26Å; Y80-T144 HydrophobicContact CD1-CG2 4.05Å; Y80-T144 HydrophobicContact CD2-CG2 3.84Å; Y80-T144 HydrophobicContact CE1-CG2 4.1Å; Y80-T144 HydrophobicContact CE2-CG2 3.89Å; Y80-T144 HydrophobicContact CG-CG2 3.91Å; Y80-E145 WeakPolarHBondContact CE2-OE2 3.39Å; Y80-E145 PolarHBondContact OH-OE2 2.95Å; Y80-F146 HydrophobicContact CD2-CE2 4.31Å; Y80-F146 HydrophobicContact CE2-CD2 4.49Å; Y80-F146 HydrophobicContact CE2-CE2 4Å |
| 81 | I | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 121.4 | 174.1 | -60.1 | -176.4 | 0 | 0 | 0 | 109.9 | V27 I38 L40 L70 L73 A74 V79 Y101 | V27-I81 HydrophobicContact CG1-CD1 3.99Å; I38-I81 WeakPolarHBondContact O-CA 3.46Å; L40-I81 HydrophobicContact CD1-CG2 4.43Å; L70-I81 HydrophobicContact CD2-CG2 4.26Å; L73-I81 HydrophobicContact CB-CD1 3.75Å; A74-I81 HydrophobicContact CB-CD1 3.8Å; A74-I81 HydrophobicContact CB-CG1 3.94Å; V79-I81 HydrophobicContact CG2-CD1 4.49Å; V79-I81 HydrophobicContact CG2-CG1 4.12Å; I81-Y101 PolarHBondContact N-O 2.76Å; I81-Y101 VanDerWaalsContact N-O 3.08Å; I81-Y101 PolarHBondContact O-N 3.3Å |
| 82 | I | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 101.8 | 161.8 | -61.5 | 177.8 | 0 | 0 | 0 | 105.5 | V37 I38 I39 L40 G84 C98 L100 F142 I149 L151 V211 P213 | V37-I82 HydrophobicContact CG1-CD1 4.01Å; V37-I82 HydrophobicContact CG1-CG1 4.19Å; I38-I82 PolarHBondContact O-N 2.8Å; I39-I82 HydrophobicContact CB-CB 4.47Å; I39-I82 HydrophobicContact CG1-CB 4.13Å; I39-I82 HydrophobicContact CG1-CD1 3.98Å; I39-I82 HydrophobicContact CG1-CG1 4.43Å; I39-I82 HydrophobicContact CG2-CB 4.32Å; I39-I82 HydrophobicContact CG2-CG2 4.24Å; L40-I82 PolarHBondContact N-O 3.13Å; I82-G84 PolarHBondContact O-N 2.94Å; I82-C98 WeakPolarHBondContact CG2-SG 3.35Å; I82-L100 HydrophobicContact CB-CD2 4.44Å; I82-L100 HydrophobicContact CG1-CD2 4.13Å; I82-L100 HydrophobicContact CG2-CD2 4.21Å; I82-F142 HydrophobicContact CD1-CD1 4.39Å; I82-F142 HydrophobicContact CG1-CD1 4.07Å; I82-F142 HydrophobicContact CG1-CE1 4.18Å; I82-I149 HydrophobicContact CD1-CD1 4.34Å; I82-I149 HydrophobicContact CD1-CG2 4.06Å; I82-L151 HydrophobicContact CD1-CD1 4.3Å; I82-L151 HydrophobicContact CG2-CD1 3.92Å; I82-V211 HydrophobicContact CD1-CB 4.12Å; I82-V211 HydrophobicContact CD1-CG1 4.01Å; I82-V211 HydrophobicContact CD1-CG2 3.86Å; I82-V211 HydrophobicContact CG2-CG1 4.18Å; I82-P213 HydrophobicContact CG2-CG 4.39Å |
| 83 | G | 98.6 | Very high | 98.3 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 21% | 0.212 | C | C | . | . | trans | -73.1 | 33 | -164.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | F44 T85 P99 | F44-G83 WeakPolarHBondContact CD1-O 3.49Å; F44-G83 VanDerWaalsContact CE1-O 3.28Å; F44-G83 WeakPolarHBondContact CE1-O 3.47Å; G83-T85 PolarHBondContact O-N 3Å; G83-P99 WeakPolarHBondContact CA-O 3.31Å; G83-P99 PolarHBondContact N-O 2.61Å | ||
| 84 | G | 98.5 | Very high | 98.2 | Very high | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 22% | 0.216 | C | C | . | . | trans | 55.8 | -128.3 | 179.5 | 0 | 0 | 0 | 0 | 0 | 110.3 | L40 P41 I82 C98 | L40-G84 VanDerWaalsContact C-CA 3.42Å; L40-G84 WeakPolarHBondContact O-CA 3.3Å; P41-G84 CarbonylContact O-C 3.53Å; P41-G84 WeakPolarHBondContact O-CA 3.31Å; I82-G84 PolarHBondContact O-N 2.94Å; G84-C98 WeakPolarHBondContact O-CA 3.32Å; G84-C98 WeakPolarHBondContact O-CB 3.29Å; G84-C98 PolarHBondContact O-SG 2.93Å | ||
| 85 | T | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 22% | 0.22 | C | C | . | . | trans | -139.1 | 157.8 | 159.5 | 77 | 0 | 0 | 0 | 0 | 113.3 | P41 E42 S43 F44 G83 N96 S97 C98 I153 P213 | P41-T85 PolarHBondContact O-N 3.16Å; E42-T85 WeakPolarHBondContact CA-OG1 3.4Å; E42-T85 HydrophobicContact CB-CG2 4.43Å; E42-T85 HydrophobicContact CG-CG2 4.19Å; E42-T85 VanDerWaalsContact CG-OG1 3.32Å; E42-T85 WeakPolarHBondContact CG-OG1 3.46Å; S43-T85 VanDerWaalsContact CA-O 3.29Å; S43-T85 WeakPolarHBondContact CA-O 3.28Å; S43-T85 PolarHBondContact N-O 3.29Å; S43-T85 PolarHBondContact N-OG1 2.96Å; F44-T85 WeakPolarHBondContact CD1-O 3.38Å; F44-T85 PolarHBondContact N-O 3.33Å; G83-T85 PolarHBondContact O-N 3Å; T85-N96 WeakPolarHBondContact CB-OD1 3.22Å; T85-N96 VanDerWaalsContact CG2-OD1 3.32Å; T85-N96 WeakPolarHBondContact CG2-OD1 3.42Å; T85-N96 PolarHBondContact OG1-OD1 3.06Å; T85-S97 CarbonylContact C-O 3.56Å; T85-S97 WeakPolarHBondContact CA-O 3.38Å; T85-S97 WeakPolarHBondContact CB-O 3.28Å; T85-C98 HydrophobicContact CG2-CB 4.2Å; T85-I153 HydrophobicContact CG2-CB 4.36Å; T85-I153 HydrophobicContact CG2-CD1 3.46Å; T85-I153 VanDerWaalsContact CG2-CD1 3.46Å; T85-I153 HydrophobicContact CG2-CG1 3.6Å; T85-I153 HydrophobicContact CG2-CG2 3.78Å; T85-P213 HydrophobicContact CG2-CB 4.21Å | ||
| 86 | I | 98.2 | Very high | 98.2 | Very high | 1 Ų | 1 | 37.5 Ų | 37.5 | 1% | 0.005 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 156.7 | 171.6 | 70.9 | 170.3 | 0 | 0 | 0 | 109.8 | F44 N45 E58 L60 T66 E88 S97 | F44-I86 HydrophobicContact CD1-CG2 4.15Å; F44-I86 HydrophobicContact CE1-CG2 3.58Å; F44-I86 HydrophobicContact CZ-CG2 4.38Å; N45-I86 HydrophobicContact CB-CG2 4.46Å; N45-I86 WeakPolarHBondContact ND2-CG2 3.42Å; E58-I86 HydrophobicContact CB-CD1 4.3Å; L60-I86 HydrophobicContact CD2-CD1 3.62Å; L60-I86 HydrophobicContact CD2-CG1 4.46Å; L60-I86 HydrophobicContact CG-CD1 4.26Å; T66-I86 HydrophobicContact CG2-CG2 3.78Å; I86-E88 PolarHBondContact O-N 2.92Å; I86-S97 PolarHBondContact N-O 3.14Å; I86-S97 PolarHBondContact O-N 2.74Å |
| 87 | P | 98 | Very high | 98.2 | Very high | 5 Ų | 5 | 31 Ų | 31 | 3% | 0.032 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65 | 116.9 | 161.8 | 30.2 | -36.2 | 0 | 0 | 0 | 109.2 | I46 V53 N56 A57 E58 Y95 | I46-P87 HydrophobicContact CD1-CB 4.38Å; I46-P87 HydrophobicContact CD1-CG 3.6Å; I46-P87 HydrophobicContact CG1-CG 4.11Å; V53-P87 HydrophobicContact CB-CB 4.46Å; V53-P87 HydrophobicContact CG1-CB 3.96Å; N56-P87 HydrophobicContact CB-CG 4.37Å; A57-P87 VanDerWaalsContact CA-O 3.28Å; A57-P87 WeakPolarHBondContact CA-O 3.44Å; A57-P87 HydrophobicContact CB-CB 4.16Å; E58-P87 PolarHBondContact N-O 3.49Å; P87-Y95 WeakPolarHBondContact CA-O 3.4Å |
| 88 | E | 98.3 | Very high | 98.2 | Very high | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 143.3 | 173.8 | 166.2 | -176.3 | -153.5 | 0 | 0 | 110 | E58 L60 I86 F94 Y95 S97 R110 R112 | E58-E88 CarbonylContact O-C 3.57Å; E58-E88 VanDerWaalsContact O-CA 3.26Å; E58-E88 WeakPolarHBondContact O-CA 3.49Å; L60-E88 HydrophobicContact CD1-CB 4.19Å; L60-E88 HydrophobicContact CD1-CG 4.18Å; L60-E88 HydrophobicContact CG-CB 4.4Å; L60-E88 HydrophobicContact CG-CG 4.23Å; I86-E88 PolarHBondContact O-N 2.92Å; E88-F94 CarbonylContact O-C 3.6Å; E88-F94 WeakPolarHBondContact O-CA 3.49Å; E88-Y95 HydrophobicContact CG-CD2 4.39Å; E88-Y95 PolarHBondContact N-O 2.96Å; E88-Y95 PolarHBondContact O-N 2.62Å; E88-S97 WeakPolarHBondContact CB-OG 3.19Å; E88-S97 VanDerWaalsContact OE2-CB 3.29Å; E88-S97 WeakPolarHBondContact OE2-CB 3.34Å; E88-S97 PolarHBondContact OE2-OG 3.3Å; E88-R110 WeakPolarHBondContact OE1-CD 3.45Å; E88-R110 IonicContact OE1-CZ 2.85Å; E88-R110 IonicContact OE1-NE 3.63Å; E88-R110 PolarHBondContact OE1-NE 2.65Å; E88-R110 IonicContact OE1-NH1 3.47Å; E88-R110 PolarHBondContact OE1-NH1 2.81Å; E88-R110 IonicContact OE1-NH2 2.98Å; E88-R112 IonicContact OE1-CZ 2.74Å; E88-R112 IonicContact OE1-NE 2.69Å; E88-R112 IonicContact OE1-NH2 3.76Å; E88-R112 PolarHBondContact OE1-NH2 3.4Å; E88-R112 IonicContact OE2-CZ 2.69Å; E88-R112 IonicContact OE2-NE 3.32Å; E88-R112 PolarHBondContact OE2-NE 2.55Å; E88-R112 IonicContact OE2-NH2 3.42Å; E88-R112 PolarHBondContact OE2-NH2 3.04Å |
| 89 | I | 98.1 | Very high | 98.3 | Very high | 62 Ų | 62 | 24.4 Ų | 24.4 | 32% | 0.318 | 14% | 0.135 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 131.4 | 165.2 | -172.3 | 171.4 | 0 | 0 | 0 | 111 | A57 E58 K93 F94 | A57-I89 HydrophobicContact CB-CB 3.89Å; A57-I89 HydrophobicContact CB-CG2 4.14Å; E58-I89 PolarHBondContact O-N 3.08Å; I89-K93 WeakPolarHBondContact CA-O 3.49Å; I89-F94 HydrophobicContact CB-CD1 4.22Å; I89-F94 HydrophobicContact CB-CE1 4.17Å; I89-F94 HydrophobicContact CD1-CE1 3.79Å; I89-F94 HydrophobicContact CD1-CZ 3.95Å; I89-F94 HydrophobicContact CG1-CD1 4.38Å; I89-F94 HydrophobicContact CG1-CE1 4.08Å; I89-F94 HydrophobicContact CG1-CZ 4.5Å |
| 90 | E | 97.3 | Very high | 98.3 | Very high | 58 Ų | 58 | 24.2 Ų | 24.2 | 27% | 0.271 | 13% | 0.134 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.4 | 126.6 | 172 | -177.7 | 179.9 | -100.4 | 0 | 0 | 109.6 | G92 K93 Y95 R110 R112 | E90-G92 PolarHBondContact O-N 2.98Å; E90-G92 VanDerWaalsContact O-N 3.14Å; E90-K93 PolarHBondContact N-O 3.45Å; E90-K93 PolarHBondContact O-N 2.59Å; E90-Y95 HydrophobicContact CB-CE2 4.19Å; E90-R110 IonicContact OE1-CZ 2.85Å; E90-R110 IonicContact OE1-NH1 2.99Å; E90-R110 IonicContact OE1-NH2 2.77Å; E90-R110 PolarHBondContact OE1-NH2 3.01Å; E90-R110 IonicContact OE2-NH2 3.68Å; E90-R112 IonicContact OE1-NH2 3.94Å; E90-R112 PolarHBondContact OE1-NH2 3.37Å; E90-R112 IonicContact OE2-CZ 3.79Å; E90-R112 VanDerWaalsContact OE2-CZ 3.28Å; E90-R112 IonicContact OE2-NH1 3.67Å; E90-R112 PolarHBondContact OE2-NH1 2.67Å; E90-R112 IonicContact OE2-NH2 2.64Å; E90-R112 PolarHBondContact OE2-NH2 2.98Å |
| 91 | N | 96.3 | Very high | 98.2 | Very high | 156 Ų | 156 | 24.1 Ų | 24.1 | 83% | 0.834 | 13% | 0.133 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 50.3 | 40.4 | 177.3 | -60.5 | -39.1 | 0 | 0 | 0 | 113.7 | K93 | N91-K93 PolarHBondContact O-N 3.16Š|
| 92 | G | 96.4 | Very high | 98.2 | Very high | 60 Ų | 60 | 24.8 Ų | 24.8 | 62% | 0.619 | 14% | 0.137 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 75.2 | 2.6 | -179.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | E90 | E90-G92 PolarHBondContact O-N 2.98Å; E90-G92 VanDerWaalsContact O-N 3.14Å |
| 93 | K | 98.2 | Very high | 98.2 | Very high | 113 Ų | 113 | 27 Ų | 27 | 49% | 0.491 | 15% | 0.145 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 147.5 | 174.3 | -64 | -176.9 | -178.6 | 179.5 | 0 | 110.6 | I89 E90 N91 Y95 T134 | I89-K93 WeakPolarHBondContact CA-O 3.49Å; E90-K93 PolarHBondContact N-O 3.45Å; E90-K93 PolarHBondContact O-N 2.59Å; N91-K93 PolarHBondContact O-N 3.16Å; K93-Y95 HydrophobicContact CB-CE2 3.73Å; K93-T134 HydrophobicContact CD-CG2 4.22Å |
| 94 | F | 98.5 | Very high | 98.1 | Very high | 19 Ų | 19 | 31.5 Ų | 31.5 | 8% | 0.083 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 142.2 | 178 | -59.9 | -85.7 | 0 | 0 | 0 | 110.7 | V53 R54 A57 E88 I89 V132 I133 T134 | V53-F94 HydrophobicContact CG1-CB 3.82Å; V53-F94 HydrophobicContact CG1-CD1 3.75Å; V53-F94 HydrophobicContact CG1-CG 3.91Å; R54-F94 HydrophobicContact CB-CE1 4.48Å; R54-F94 HydrophobicContact CB-CZ 4.29Å; R54-F94 HydrophobicContact CG-CE1 4.34Å; R54-F94 HydrophobicContact CG-CE2 4.08Å; R54-F94 HydrophobicContact CG-CZ 3.9Å; A57-F94 HydrophobicContact CB-CD1 3.67Å; A57-F94 HydrophobicContact CB-CE1 3.69Å; E88-F94 CarbonylContact O-C 3.6Å; E88-F94 WeakPolarHBondContact O-CA 3.49Å; I89-F94 HydrophobicContact CB-CD1 4.22Å; I89-F94 HydrophobicContact CB-CE1 4.17Å; I89-F94 HydrophobicContact CD1-CE1 3.79Å; I89-F94 HydrophobicContact CD1-CZ 3.95Å; I89-F94 HydrophobicContact CG1-CD1 4.38Å; I89-F94 HydrophobicContact CG1-CE1 4.08Å; I89-F94 HydrophobicContact CG1-CZ 4.5Å; F94-V132 HydrophobicContact CB-CG1 4.42Å; F94-V132 HydrophobicContact CD2-CG1 4.32Å; F94-V132 HydrophobicContact CG-CG1 4.43Å; F94-I133 HydrophobicContact CB-CD1 4.15Å; F94-T134 WeakPolarHBondContact O-CB 3.38Å; F94-T134 PolarHBondContact O-N 2.84Å |
| 95 | Y | 98.6 | Very high | 98.1 | Very high | 22 Ų | 22 | 31.7 Ų | 31.7 | 9% | 0.086 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 152 | 179.3 | -59.6 | -89.6 | 0 | 0 | 0 | 110.5 | P87 E88 E90 K93 S97 R112 T134 | P87-Y95 WeakPolarHBondContact CA-O 3.4Å; E88-Y95 HydrophobicContact CG-CD2 4.39Å; E88-Y95 PolarHBondContact N-O 2.96Å; E88-Y95 PolarHBondContact O-N 2.62Å; E90-Y95 HydrophobicContact CB-CE2 4.19Å; K93-Y95 HydrophobicContact CB-CE2 3.73Å; Y95-S97 VanDerWaalsContact CB-OG 3.3Å; Y95-S97 WeakPolarHBondContact CB-OG 3.3Å; Y95-R112 HydrophobicContact CD1-CB 4.46Å; Y95-R112 HydrophobicContact CD1-CG 4.12Å; Y95-R112 HydrophobicContact CG-CG 4.24Å; Y95-T134 HydrophobicContact CD1-CG2 4.32Å; Y95-T134 WeakPolarHBondContact CD1-O 3.49Å; Y95-T134 HydrophobicContact CE1-CG2 3.53Å |
| 96 | N | 98.5 | Very high | 98 | Very high | 8 Ų | 8 | 35 Ų | 35 | 4% | 0.043 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 105 | 166.4 | -178.4 | -12.8 | 0 | 0 | 0 | 107.1 | E42 T85 K113 E129 I133 I153 | E42-N96 PolarHBondContact OE1-ND2 3.14Å; T85-N96 WeakPolarHBondContact CB-OD1 3.22Å; T85-N96 VanDerWaalsContact CG2-OD1 3.32Å; T85-N96 WeakPolarHBondContact CG2-OD1 3.42Å; T85-N96 PolarHBondContact OG1-OD1 3.06Å; N96-K113 HydrophobicContact CB-CB 4.04Å; N96-K113 HydrophobicContact CB-CD 4.2Å; N96-K113 WeakPolarHBondContact ND2-CD 3.29Å; N96-K113 PolarHBondContact O-N 2.91Å; N96-E129 PolarHBondContact ND2-OE1 2.62Å; N96-I133 HydrophobicContact CB-CG2 4.12Å; N96-I153 WeakPolarHBondContact O-CD1 3.47Å |
| 97 | S | 98.6 | Very high | 98 | Very high | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 134.3 | -160.7 | -64 | 0 | 0 | 0 | 0 | 113.1 | T85 I86 E88 Y95 P99 Y111 R112 | T85-S97 CarbonylContact C-O 3.56Å; T85-S97 WeakPolarHBondContact CA-O 3.38Å; T85-S97 WeakPolarHBondContact CB-O 3.28Å; I86-S97 PolarHBondContact N-O 3.14Å; I86-S97 PolarHBondContact O-N 2.74Å; E88-S97 WeakPolarHBondContact CB-OG 3.19Å; E88-S97 VanDerWaalsContact OE2-CB 3.29Å; E88-S97 WeakPolarHBondContact OE2-CB 3.34Å; E88-S97 PolarHBondContact OE2-OG 3.3Å; Y95-S97 VanDerWaalsContact CB-OG 3.3Å; Y95-S97 WeakPolarHBondContact CB-OG 3.3Å; S97-P99 VanDerWaalsContact O-CD 3.23Å; S97-P99 WeakPolarHBondContact O-CD 3.39Å; S97-Y111 CarbonylContact C-O 3.56Å; S97-Y111 WeakPolarHBondContact CA-O 3.2Å; S97-R112 WeakPolarHBondContact OG-CG 3.5Å |
| 98 | C | 98.8 | Very high | 98 | Very high | 1 Ų | 1 | 39.2 Ų | 39.2 | 1% | 0.007 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 96.5 | 176.4 | -179 | 0 | 0 | 0 | 0 | 110 | I82 G84 T85 R110 Y111 I153 | I82-C98 WeakPolarHBondContact CG2-SG 3.35Å; G84-C98 WeakPolarHBondContact O-CA 3.32Å; G84-C98 WeakPolarHBondContact O-CB 3.29Å; G84-C98 PolarHBondContact O-SG 2.93Å; T85-C98 HydrophobicContact CG2-CB 4.2Å; C98-R110 CarbonylContact O-C 3.6Å; C98-R110 WeakPolarHBondContact O-CA 3.27Å; C98-Y111 PolarHBondContact N-O 2.91Å; C98-Y111 PolarHBondContact O-N 2.91Å; C98-I153 HydrophobicContact CB-CD1 4.07Å; C98-I153 HydrophobicContact CB-CG1 4.41Å |
| 99 | P | 98.5 | Very high | 97.9 | Very high | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.5 | 144.6 | 174.8 | 31 | -35.1 | 0 | 0 | 0 | 111.4 | L60 L70 G83 S97 Y101 M107 | L60-P99 HydrophobicContact CD1-CB 4.23Å; L60-P99 HydrophobicContact CD2-CB 4.04Å; L60-P99 HydrophobicContact CD2-CG 4.28Å; L70-P99 HydrophobicContact CD1-CG 4.29Å; G83-P99 WeakPolarHBondContact CA-O 3.31Å; G83-P99 PolarHBondContact N-O 2.61Å; S97-P99 VanDerWaalsContact O-CD 3.23Å; S97-P99 WeakPolarHBondContact O-CD 3.39Å; P99-Y101 HydrophobicContact CB-CE2 3.68Å; P99-Y101 HydrophobicContact CG-CE2 3.9Å; P99-M107 HydrophobicContact CB-CG 4.28Å; P99-M107 HydrophobicContact CB-SD 3.86Å |
| 100 | L | 98.7 | Very high | 97.9 | Very high | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 125.2 | -175.8 | -56.3 | 172.5 | 0 | 0 | 0 | 109.8 | I82 M107 V108 G109 V140 F142 L151 V334 | I82-L100 HydrophobicContact CB-CD2 4.44Å; I82-L100 HydrophobicContact CG1-CD2 4.13Å; I82-L100 HydrophobicContact CG2-CD2 4.21Å; L100-M107 CarbonylContact O-C 3.53Å; L100-M107 VanDerWaalsContact O-CA 3.3Å; L100-M107 WeakPolarHBondContact O-CA 3.35Å; L100-V108 HydrophobicContact CB-CG2 4.26Å; L100-V108 WeakPolarHBondContact O-CG2 3.5Å; L100-V108 PolarHBondContact O-N 3.14Å; L100-G109 WeakPolarHBondContact CB-O 3.18Å; L100-G109 PolarHBondContact N-O 3.03Å; L100-V140 HydrophobicContact CD1-CG1 3.75Å; L100-F142 HydrophobicContact CB-CE1 4.46Å; L100-F142 HydrophobicContact CB-CE2 4.47Å; L100-F142 HydrophobicContact CB-CZ 4.38Å; L100-F142 HydrophobicContact CD1-CB 3.92Å; L100-F142 HydrophobicContact CD1-CD2 4.33Å; L100-F142 HydrophobicContact CD1-CG 4.04Å; L100-F142 HydrophobicContact CD2-CD1 4.04Å; L100-F142 HydrophobicContact CD2-CE1 4.44Å; L100-F142 HydrophobicContact CD2-CG 4.37Å; L100-L151 HydrophobicContact CD2-CD1 4.23Å; L100-L151 HydrophobicContact CD2-CG 4.33Å; L100-V334 HydrophobicContact CD1-CG2 4.5Å |
| 101 | Y | 98.7 | Very high | 97.9 | Very high | 1 Ų | 1 | 37.4 Ų | 37.4 | 0% | 0.004 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 134.7 | -178.5 | -62 | -97.8 | 0 | 0 | 0 | 111.4 | H67 L70 Y80 I81 P99 C106 M107 | H67-Y101 WeakPolarHBondContact CA-OH 3.35Å; H67-Y101 AromaticContact CE1-CE1 3.65Å; H67-Y101 AromaticContact ND1-CE1 3.47Å; H67-Y101 WeakPolarHBondContact ND1-CE1 3.15Å; H67-Y101 AromaticContact ND1-CZ 3.67Å; H67-Y101 PolarHBondContact ND1-OH 2.88Å; L70-Y101 HydrophobicContact CB-CD2 3.9Å; L70-Y101 HydrophobicContact CB-CE1 4.2Å; L70-Y101 HydrophobicContact CB-CE2 3.54Å; L70-Y101 HydrophobicContact CB-CG 4.4Å; L70-Y101 HydrophobicContact CD1-CD2 4.33Å; L70-Y101 HydrophobicContact CD1-CE2 3.61Å; L70-Y101 HydrophobicContact CG-CE2 4.24Å; Y80-Y101 WeakPolarHBondContact CA-O 3.37Å; I81-Y101 PolarHBondContact N-O 2.76Å; I81-Y101 VanDerWaalsContact N-O 3.08Å; I81-Y101 PolarHBondContact O-N 3.3Å; P99-Y101 HydrophobicContact CB-CE2 3.68Å; P99-Y101 HydrophobicContact CG-CE2 3.9Å; Y101-C106 VanDerWaalsContact CA-O 3.31Å; Y101-C106 WeakPolarHBondContact CA-O 3.47Å; Y101-M107 HydrophobicContact CD1-CB 4.03Å; Y101-M107 HydrophobicContact CE1-CB 3.7Å; Y101-M107 HydrophobicContact CE1-CG 4.18Å |
| 102 | N | 98.2 | Very high | 98 | Very high | 14 Ų | 14 | 31.9 Ų | 31.9 | 8% | 0.075 | 17% | 0.172 | C | C | . | . | trans | -83.7 | 174.9 | 170.6 | 73.6 | 6.5 | 0 | 0 | 0 | 112.8 | A74 Y80 Q104 G105 C106 V108 G336 | A74-N102 WeakPolarHBondContact CB-O 3.39Å; Y80-N102 HydrophobicContact CD1-CB 4.39Å; Y80-N102 HydrophobicContact CE1-CB 4.13Å; N102-Q104 PolarHBondContact ND2-OE1 2.83Å; N102-Q104 PolarHBondContact O-N 3.27Å; N102-Q104 VanDerWaalsContact O-N 3.14Å; N102-Q104 PolarHBondContact OD1-N 2.83Å; N102-Q104 VanDerWaalsContact OD1-N 3.15Å; N102-Q104 PolarHBondContact OD1-OE1 2.5Å; N102-G105 PolarHBondContact O-N 2.88Å; N102-G105 PolarHBondContact OD1-N 2.93Å; N102-C106 PolarHBondContact N-O 2.84Å; N102-C106 WeakPolarHBondContact OD1-CB 3.25Å; N102-C106 PolarHBondContact OD1-N 3.08Å; N102-C106 PolarHBondContact OD1-O 2.91Å; N102-V108 HydrophobicContact CB-CG1 3.87Å; N102-V108 HydrophobicContact CB-CG2 4.46Å; N102-V108 WeakPolarHBondContact ND2-CG1 3.36Å; N102-G336 WeakPolarHBondContact CB-O 3.07Å | ||
| 103 | R | 97.5 | Very high | 98.1 | Very high | 48 Ų | 48 | 29.1 Ų | 29.1 | 18% | 0.181 | 14% | 0.143 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.7 | -18.9 | -177 | -57.8 | 179.1 | 71.5 | 167.9 | 6.3 | 113.7 | K75 D78 Y80 G105 E145 | K75-R103 WeakPolarHBondContact CA-O 3.4Å; D78-R103 PolarHBondContact O-NE 3.11Å; D78-R103 VanDerWaalsContact O-NE 3.16Å; D78-R103 PolarHBondContact O-NH2 3.16Å; D78-R103 VanDerWaalsContact O-NH2 3.11Å; D78-R103 IonicContact OD1-CZ 2.83Å; D78-R103 IonicContact OD1-NE 2.89Å; D78-R103 PolarHBondContact OD1-NE 3.46Å; D78-R103 IonicContact OD1-NH2 3.12Å; D78-R103 PolarHBondContact OD1-NH2 3.01Å; D78-R103 IonicContact OD2-CZ 2.74Å; D78-R103 IonicContact OD2-NE 3.14Å; D78-R103 IonicContact OD2-NH2 3.32Å; D78-R103 PolarHBondContact OD2-NH2 3.26Å; Y80-R103 HydrophobicContact CD1-CG 4.26Å; Y80-R103 HydrophobicContact CD2-CG 4.04Å; Y80-R103 HydrophobicContact CE1-CG 3.99Å; Y80-R103 HydrophobicContact CE2-CG 3.74Å; Y80-R103 HydrophobicContact CG-CG 4.3Å; R103-G105 VanDerWaalsContact C-N 3.32Å; R103-E145 IonicContact CZ-OE1 2.78Å; R103-E145 IonicContact NH1-OE1 3.72Å; R103-E145 PolarHBondContact NH1-OE1 3.45Å |
| 104 | Q | 97.9 | Very high | 98.1 | Very high | 93 Ų | 93 | 25.4 Ų | 25.4 | 44% | 0.435 | 13% | 0.128 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88.7 | -2.3 | 177.1 | -63.1 | 73.8 | 21.7 | 0 | 0 | 112.3 | K75 N102 | K75-Q104 WeakPolarHBondContact CD-O 3.39Å; N102-Q104 PolarHBondContact ND2-OE1 2.83Å; N102-Q104 PolarHBondContact O-N 3.27Å; N102-Q104 VanDerWaalsContact O-N 3.14Å; N102-Q104 PolarHBondContact OD1-N 2.83Å; N102-Q104 VanDerWaalsContact OD1-N 3.15Å; N102-Q104 PolarHBondContact OD1-OE1 2.5Å |
| 105 | G | 97.8 | Very high | 98 | Very high | 4 Ų | 4 | 27 Ų | 27 | 4% | 0.041 | 14% | 0.135 | C | C | . | . | S | Bend | trans | 84.1 | 6.6 | -177.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | S71 N102 R103 | S71-G105 VanDerWaalsContact CB-O 3.29Å; S71-G105 WeakPolarHBondContact CB-O 3.27Å; S71-G105 VanDerWaalsContact O-CA 3.28Å; S71-G105 WeakPolarHBondContact O-CA 3.3Å; S71-G105 PolarHBondContact OG-O 2.88Å; N102-G105 PolarHBondContact O-N 2.88Å; N102-G105 PolarHBondContact OD1-N 2.93Å; R103-G105 VanDerWaalsContact C-N 3.32Å |
| 106 | C | 97.8 | Very high | 98 | Very high | 69 Ų | 69 | 26.9 Ų | 26.9 | 47% | 0.466 | 14% | 0.136 | S | C | . | . | trans | -76.7 | 132.4 | 176.1 | -57.8 | 0 | 0 | 0 | 0 | 109.8 | Y101 N102 V108 | Y101-C106 VanDerWaalsContact CA-O 3.31Å; Y101-C106 WeakPolarHBondContact CA-O 3.47Å; N102-C106 PolarHBondContact N-O 2.84Å; N102-C106 WeakPolarHBondContact OD1-CB 3.25Å; N102-C106 PolarHBondContact OD1-N 3.08Å; N102-C106 PolarHBondContact OD1-O 2.91Å; C106-V108 HydrophobicContact CB-CG1 4.32Å; C106-V108 PolarHBondContact O-N 2.92Å; C106-V108 VanDerWaalsContact O-N 3.16Å | ||
| 107 | M | 97.8 | Very high | 97.8 | Very high | 51 Ų | 51 | 27.3 Ų | 27.3 | 25% | 0.251 | 14% | 0.137 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.7 | 104.2 | 165.7 | -170.1 | -174 | 71.4 | 0 | 0 | 108.1 | L60 P99 L100 Y101 | L60-M107 HydrophobicContact CB-CE 4.22Å; L60-M107 HydrophobicContact CB-SD 4.21Å; L60-M107 HydrophobicContact CD2-SD 4.12Å; L60-M107 WeakPolarHBondContact O-CE 3.48Å; P99-M107 HydrophobicContact CB-CG 4.28Å; P99-M107 HydrophobicContact CB-SD 3.86Å; L100-M107 CarbonylContact O-C 3.53Å; L100-M107 VanDerWaalsContact O-CA 3.3Å; L100-M107 WeakPolarHBondContact O-CA 3.35Å; Y101-M107 HydrophobicContact CD1-CB 4.03Å; Y101-M107 HydrophobicContact CE1-CB 3.7Å; Y101-M107 HydrophobicContact CE1-CG 4.18Å |
| 108 | V | 96.9 | Very high | 97.7 | Very high | 44 Ų | 44 | 30.4 Ų | 30.4 | 27% | 0.267 | 15% | 0.154 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.6 | -17.4 | -173.5 | -71.7 | 0 | 0 | 0 | 0 | 112.4 | L100 N102 C106 F142 V334 | L100-V108 HydrophobicContact CB-CG2 4.26Å; L100-V108 WeakPolarHBondContact O-CG2 3.5Å; L100-V108 PolarHBondContact O-N 3.14Å; N102-V108 HydrophobicContact CB-CG1 3.87Å; N102-V108 HydrophobicContact CB-CG2 4.46Å; N102-V108 WeakPolarHBondContact ND2-CG1 3.36Å; C106-V108 HydrophobicContact CB-CG1 4.32Å; C106-V108 PolarHBondContact O-N 2.92Å; C106-V108 VanDerWaalsContact O-N 3.16Å; V108-F142 HydrophobicContact CG2-CD2 4.42Å; V108-F142 HydrophobicContact CG2-CE2 3.69Å; V108-F142 HydrophobicContact CG2-CZ 4.33Å; V108-V334 HydrophobicContact CB-CG1 3.47Å; V108-V334 VanDerWaalsContact CB-CG1 3.47Å; V108-V334 HydrophobicContact CG2-CG1 3.39Å; V108-V334 WeakPolarHBondContact O-CG1 3.18Å |
| 109 | G | 96.4 | Very high | 97.3 | Very high | 15 Ų | 15 | 31.5 Ų | 31.5 | 16% | 0.155 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -179.7 | -173.9 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | L100 | L100-G109 WeakPolarHBondContact CB-O 3.18Å; L100-G109 PolarHBondContact N-O 3.03Å |
| 110 | R | 97.6 | Very high | 96.8 | Very high | 67 Ų | 67 | 37 Ų | 37 | 25% | 0.253 | 19% | 0.189 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.8 | 146.2 | 176.5 | 64 | -175 | 176.4 | -150.1 | -6.4 | 110.5 | L60 E88 E90 C98 R112 V140 | L60-R110 HydrophobicContact CD1-CB 4.22Å; E88-R110 WeakPolarHBondContact OE1-CD 3.45Å; E88-R110 IonicContact OE1-CZ 2.85Å; E88-R110 IonicContact OE1-NE 3.63Å; E88-R110 PolarHBondContact OE1-NE 2.65Å; E88-R110 IonicContact OE1-NH1 3.47Å; E88-R110 PolarHBondContact OE1-NH1 2.81Å; E88-R110 IonicContact OE1-NH2 2.98Å; E90-R110 IonicContact OE1-CZ 2.85Å; E90-R110 IonicContact OE1-NH1 2.99Å; E90-R110 IonicContact OE1-NH2 2.77Å; E90-R110 PolarHBondContact OE1-NH2 3.01Å; E90-R110 IonicContact OE2-NH2 3.68Å; C98-R110 CarbonylContact O-C 3.6Å; C98-R110 WeakPolarHBondContact O-CA 3.27Å; R110-R112 VanDerWaalsContact NH2-NH2 3.11Å; R110-V140 WeakPolarHBondContact O-CG2 3.44Å |
| 111 | Y | 98.2 | Very high | 96 | Very high | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 128.9 | 168 | 173.8 | -96.1 | 0 | 0 | 0 | 109.8 | S97 C98 M114 V140 L151 I153 D156 | S97-Y111 CarbonylContact C-O 3.56Å; S97-Y111 WeakPolarHBondContact CA-O 3.2Å; C98-Y111 PolarHBondContact N-O 2.91Å; C98-Y111 PolarHBondContact O-N 2.91Å; Y111-M114 HydrophobicContact CE2-CE 3.93Å; Y111-M114 HydrophobicContact CE2-CG 4.19Å; Y111-M114 HydrophobicContact CE2-SD 4.43Å; Y111-M114 WeakPolarHBondContact OH-CE 3.42Å; Y111-V140 HydrophobicContact CD2-CB 3.99Å; Y111-V140 HydrophobicContact CD2-CG2 3.87Å; Y111-V140 HydrophobicContact CG-CG2 4.43Å; Y111-L151 HydrophobicContact CD1-CB 4.32Å; Y111-L151 HydrophobicContact CD2-CB 4.1Å; Y111-L151 HydrophobicContact CG-CB 3.84Å; Y111-I153 HydrophobicContact CD1-CD1 3.49Å; Y111-I153 VanDerWaalsContact CD1-CD1 3.49Å; Y111-I153 HydrophobicContact CD1-CG1 3.69Å; Y111-I153 HydrophobicContact CE1-CB 4.2Å; Y111-I153 HydrophobicContact CE1-CD1 3.73Å; Y111-I153 HydrophobicContact CE1-CG1 3.71Å; Y111-D156 VanDerWaalsContact CE1-OD2 3.28Å; Y111-D156 WeakPolarHBondContact CE1-OD2 3.38Å; Y111-D156 VanDerWaalsContact OH-CG 3.23Å; Y111-D156 PolarHBondContact OH-OD2 3.03Å |
| 112 | R | 98.5 | Very high | 95.4 | Very high | 41 Ų | 41 | 45 Ų | 45 | 16% | 0.155 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 130.3 | 174.5 | -75 | 172.4 | 170.4 | 172.7 | 0.9 | 109 | E88 E90 Y95 S97 R110 M114 | E88-R112 IonicContact OE1-CZ 2.74Å; E88-R112 IonicContact OE1-NE 2.69Å; E88-R112 IonicContact OE1-NH2 3.76Å; E88-R112 PolarHBondContact OE1-NH2 3.4Å; E88-R112 IonicContact OE2-CZ 2.69Å; E88-R112 IonicContact OE2-NE 3.32Å; E88-R112 PolarHBondContact OE2-NE 2.55Å; E88-R112 IonicContact OE2-NH2 3.42Å; E88-R112 PolarHBondContact OE2-NH2 3.04Å; E90-R112 IonicContact OE1-NH2 3.94Å; E90-R112 PolarHBondContact OE1-NH2 3.37Å; E90-R112 IonicContact OE2-CZ 3.79Å; E90-R112 VanDerWaalsContact OE2-CZ 3.28Å; E90-R112 IonicContact OE2-NH1 3.67Å; E90-R112 PolarHBondContact OE2-NH1 2.67Å; E90-R112 IonicContact OE2-NH2 2.64Å; E90-R112 PolarHBondContact OE2-NH2 2.98Å; Y95-R112 HydrophobicContact CD1-CB 4.46Å; Y95-R112 HydrophobicContact CD1-CG 4.12Å; Y95-R112 HydrophobicContact CG-CG 4.24Å; S97-R112 WeakPolarHBondContact OG-CG 3.5Å; R110-R112 VanDerWaalsContact NH2-NH2 3.11Å; R112-M114 PolarHBondContact O-N 2.76Å; R112-M114 VanDerWaalsContact O-N 3.14Å |
| 113 | K | 98.6 | Very high | 94.8 | Very high | 1 Ų | 1 | 48.7 Ų | 48.7 | 0% | 0.004 | 28% | 0.278 | C | S | . | . | trans | -53.4 | 119 | -180 | -171.5 | 173.1 | -171.4 | -179.9 | 0 | 110.6 | E42 N96 H115 L116 E129 G136 I153 | E42-K113 IonicContact OE1-NZ 2.7Å; E42-K113 PolarHBondContact OE1-NZ 2.85Å; N96-K113 HydrophobicContact CB-CB 4.04Å; N96-K113 HydrophobicContact CB-CD 4.2Å; N96-K113 WeakPolarHBondContact ND2-CD 3.29Å; N96-K113 PolarHBondContact O-N 2.91Å; K113-H115 WeakPolarHBondContact CE-O 3.37Å; K113-L116 HydrophobicContact CG-CD2 4.42Å; K113-E129 VanDerWaalsContact CE-OE2 3.28Å; K113-E129 WeakPolarHBondContact CE-OE2 3.21Å; K113-E129 VanDerWaalsContact NZ-CD 3.34Å; K113-E129 IonicContact NZ-OE1 3.53Å; K113-E129 PolarHBondContact NZ-OE1 2.82Å; K113-E129 IonicContact NZ-OE2 3.01Å; K113-E129 PolarHBondContact NZ-OE2 3.34Å; K113-G136 PolarHBondContact O-N 3.5Å; K113-I153 HydrophobicContact CB-CB 4.08Å; K113-I153 HydrophobicContact CB-CD1 3.81Å; K113-I153 HydrophobicContact CB-CG2 4.34Å; K113-I153 HydrophobicContact CD-CB 4.13Å; K113-I153 HydrophobicContact CD-CG2 3.69Å; K113-I153 HydrophobicContact CG-CB 3.92Å; K113-I153 HydrophobicContact CG-CG2 4.08Å | ||
| 114 | M | 97.4 | Very high | 94 | Very high | 36 Ų | 36 | 53.5 Ų | 53.5 | 18% | 0.177 | 30% | 0.301 | C | S | . | . | S | Bend | trans | -86 | -40.7 | -175.2 | -66.9 | -168.4 | -67.4 | 0 | 0 | 111.6 | Y111 R112 P139 L162 | Y111-M114 HydrophobicContact CE2-CE 3.93Å; Y111-M114 HydrophobicContact CE2-CG 4.19Å; Y111-M114 HydrophobicContact CE2-SD 4.43Å; Y111-M114 WeakPolarHBondContact OH-CE 3.42Å; R112-M114 PolarHBondContact O-N 2.76Å; R112-M114 VanDerWaalsContact O-N 3.14Å; M114-P139 HydrophobicContact CE-CB 4.38Å; M114-L162 HydrophobicContact CE-CD1 3.48Å; M114-L162 VanDerWaalsContact CE-CD1 3.48Å; M114-L162 HydrophobicContact CE-CD2 3.76Å; M114-L162 HydrophobicContact CE-CG 4.22Å |
| 115 | H | 98.1 | Very high | 93.2 | Very high | 52 Ų | 52 | 50.8 Ų | 50.8 | 24% | 0.241 | 29% | 0.289 | C | S | . | . | S | Bend | trans | -102.2 | 103.1 | 178.9 | -48.9 | 90.4 | 0 | 0 | 0 | 109.8 | K113 Y155 D156 F159 | K113-H115 WeakPolarHBondContact CE-O 3.37Å; H115-Y155 HydrophobicContact CB-CD1 4.05Å; H115-D156 VanDerWaalsContact CB-OD1 3.32Å; H115-D156 WeakPolarHBondContact CB-OD1 3.48Å; H115-D156 IonicContact CE1-OD1 3.89Å; H115-D156 IonicContact CG-OD1 2.69Å; H115-D156 PolarHBondContact N-OD1 3.35Å; H115-D156 IonicContact ND1-OD1 3.01Å; H115-D156 PolarHBondContact ND1-OD1 2.85Å; H115-F159 HydrophobicContact CB-CD2 3.68Å; H115-F159 HydrophobicContact CB-CE1 4.45Å; H115-F159 HydrophobicContact CB-CE2 3.25Å; H115-F159 HydrophobicContact CB-CG 4.46Å; H115-F159 HydrophobicContact CB-CZ 3.69Å; H115-F159 AromaticContact CD2-CD1 3.39Å; H115-F159 WeakPolarHBondContact CD2-CD1 3.45Å; H115-F159 AromaticContact CD2-CD2 3.64Å; H115-F159 AromaticContact CD2-CE1 3.4Å; H115-F159 WeakPolarHBondContact CD2-CE1 3.27Å; H115-F159 AromaticContact CD2-CE2 3.68Å; H115-F159 AromaticContact CD2-CG 3.51Å; H115-F159 AromaticContact CD2-CZ 3.55Å; H115-F159 AromaticContact CE1-CG 3.71Å; H115-F159 AromaticContact CG-CD2 3.35Å; H115-F159 AromaticContact CG-CE2 3.39Å; H115-F159 AromaticContact CG-CG 3.69Å; H115-F159 AromaticContact CG-CZ 3.72Å; H115-F159 AromaticContact ND1-CD2 3.6Å; H115-F159 AromaticContact ND1-CG 3.8Å; H115-F159 AromaticContact NE2-CD1 3.52Å; H115-F159 AromaticContact NE2-CG 3.53Å |
| 116 | L | 97.9 | Very high | 92.6 | Very high | 20 Ų | 20 | 55.7 Ų | 55.7 | 11% | 0.105 | 32% | 0.318 | C | S | . | . | trans | -71.4 | 144.1 | 179.2 | -59.2 | -172.3 | 0 | 0 | 0 | 111.3 | K113 D118 E129 I133 P135 Y155 | K113-L116 HydrophobicContact CG-CD2 4.42Å; L116-D118 PolarHBondContact O-N 2.96Å; L116-E129 WeakPolarHBondContact CA-OE2 3.38Å; L116-E129 HydrophobicContact CB-CB 4.22Å; L116-I133 HydrophobicContact CD1-CB 4.48Å; L116-I133 HydrophobicContact CD1-CG2 4.4Å; L116-I133 WeakPolarHBondContact CD1-O 3.21Å; L116-I133 HydrophobicContact CD2-CB 4.35Å; L116-I133 HydrophobicContact CD2-CG2 3.64Å; L116-P135 HydrophobicContact CD1-CB 4.2Å; L116-P135 HydrophobicContact CD1-CG 4.45Å; L116-P135 HydrophobicContact CD2-CB 4.49Å; L116-P135 HydrophobicContact CG-CB 4.09Å; L116-Y155 VanDerWaalsContact O-CD1 3.28Å; L116-Y155 WeakPolarHBondContact O-CD1 3Å; L116-Y155 WeakPolarHBondContact O-CE1 3.47Å | ||
| 117 | F | 95 | Very high | 92.3 | Very high | 16 Ų | 16 | 54 Ų | 54 | 7% | 0.07 | 30% | 0.302 | C | S | . | . | trans | -77.5 | 73 | -177 | -173.9 | -131.3 | 0 | 0 | 0 | 111.3 | F48 I119 Y127 E129 Y155 | F48-F117 HydrophobicContact CE1-CD1 4.35Å; F48-F117 HydrophobicContact CZ-CD1 4.11Å; F117-I119 HydrophobicContact CD2-CG1 4.28Å; F117-I119 HydrophobicContact CD2-CG2 3.79Å; F117-I119 HydrophobicContact CE1-CD1 3.91Å; F117-I119 HydrophobicContact CE1-CG1 4.05Å; F117-I119 HydrophobicContact CE2-CB 4.29Å; F117-I119 HydrophobicContact CE2-CD1 3.54Å; F117-I119 HydrophobicContact CE2-CG1 3.74Å; F117-I119 HydrophobicContact CE2-CG2 3.55Å; F117-I119 HydrophobicContact CZ-CD1 3.17Å; F117-I119 HydrophobicContact CZ-CG1 3.63Å; F117-I119 HydrophobicContact CZ-CG2 4.33Å; F117-Y127 HydrophobicContact CB-CD1 4.42Å; F117-Y127 AromaticContact CD1-CD1 3.41Å; F117-Y127 HydrophobicContact CD1-CD1 3.41Å; F117-Y127 VanDerWaalsContact CD1-CD1 3.41Å; F117-Y127 HydrophobicContact CD1-CE1 4.02Å; F117-Y127 HydrophobicContact CD1-CG 4.19Å; F117-Y127 HydrophobicContact CE1-CD1 4.09Å; F117-Y127 HydrophobicContact CE1-CG 4.44Å; F117-Y127 HydrophobicContact CG-CD1 4.25Å; F117-Y127 VanDerWaalsContact O-CD1 3.32Å; F117-Y127 WeakPolarHBondContact O-CD1 3.45Å; F117-E129 HydrophobicContact CB-CB 4.23Å; F117-E129 WeakPolarHBondContact CB-OE2 3.34Å; F117-E129 PolarHBondContact N-OE2 3.26Å; F117-E129 PolarHBondContact O-N 2.77Å; F117-Y155 HydrophobicContact CB-CG 4.42Å; F117-Y155 AromaticContact CD2-CD2 3.34Å; F117-Y155 HydrophobicContact CD2-CD2 3.34Å; F117-Y155 AromaticContact CD2-CE2 3.58Å; F117-Y155 HydrophobicContact CD2-CE2 3.58Å; F117-Y155 AromaticContact CD2-CG 3.93Å; F117-Y155 HydrophobicContact CD2-CG 3.93Å; F117-Y155 AromaticContact CE2-CD2 3.87Å; F117-Y155 HydrophobicContact CE2-CD2 3.87Å; F117-Y155 AromaticContact CE2-CE2 3.9Å; F117-Y155 HydrophobicContact CE2-CE2 3.9Å; F117-Y155 HydrophobicContact CG-CD2 4.42Å | ||
| 118 | D | 94.8 | Very high | 92.1 | Very high | 65 Ų | 65 | 56.3 Ų | 56.3 | 35% | 0.348 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 101.5 | 175.2 | -70.2 | 0.2 | 0 | 0 | 0 | 109.1 | L116 Y127 K128 E129 S130 | L116-D118 PolarHBondContact O-N 2.96Å; D118-Y127 CarbonylContact C-O 3.56Å; D118-Y127 WeakPolarHBondContact CA-O 3.22Å; D118-K128 HydrophobicContact CB-CG 4.46Å; D118-K128 WeakPolarHBondContact OD1-CA 3.37Å; D118-E129 PolarHBondContact OD1-N 2.76Å; D118-S130 VanDerWaalsContact CG-OG 3.24Å; D118-S130 PolarHBondContact OD1-N 3.14Å; D118-S130 PolarHBondContact OD1-OG 3.42Å; D118-S130 WeakPolarHBondContact OD2-CB 3.48Å; D118-S130 PolarHBondContact OD2-OG 3.01Å |
| 119 | I | 90.2 | Very high | 92.1 | Very high | 24 Ų | 24 | 54.4 Ų | 54.4 | 12% | 0.123 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 146.5 | -178.6 | 63.2 | 157 | 0 | 0 | 0 | 112.3 | F117 I121 I125 V126 Y127 Y155 | F117-I119 HydrophobicContact CD2-CG1 4.28Å; F117-I119 HydrophobicContact CD2-CG2 3.79Å; F117-I119 HydrophobicContact CE1-CD1 3.91Å; F117-I119 HydrophobicContact CE1-CG1 4.05Å; F117-I119 HydrophobicContact CE2-CB 4.29Å; F117-I119 HydrophobicContact CE2-CD1 3.54Å; F117-I119 HydrophobicContact CE2-CG1 3.74Å; F117-I119 HydrophobicContact CE2-CG2 3.55Å; F117-I119 HydrophobicContact CZ-CD1 3.17Å; F117-I119 HydrophobicContact CZ-CG1 3.63Å; F117-I119 HydrophobicContact CZ-CG2 4.33Å; I119-I121 HydrophobicContact CD1-CD1 4.26Å; I119-I121 HydrophobicContact CD1-CG1 4.44Å; I119-I125 HydrophobicContact CD1-CB 4.49Å; I119-I125 HydrophobicContact CD1-CD1 4.28Å; I119-I125 HydrophobicContact CD1-CG1 4.18Å; I119-I125 HydrophobicContact CD1-CG2 3.59Å; I119-V126 WeakPolarHBondContact O-CA 3.14Å; I119-Y127 PolarHBondContact N-O 3.41Å; I119-Y127 PolarHBondContact O-N 2.91Å; I119-Y127 VanDerWaalsContact O-O 3.09Å; I119-Y155 HydrophobicContact CG2-CE2 3.92Å |
| 120 | N | 89.7 | Confident | 92.2 | Very high | 116 Ų | 116 | 55.8 Ų | 55.8 | 62% | 0.62 | 31% | 0.306 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 101.5 | 170.1 | -178.8 | -3.2 | 0 | 0 | 0 | 108 | P122 V126 | N120-P122 WeakPolarHBondContact O-CD 3.24Å; N120-V126 WeakPolarHBondContact OD1-CG2 3.25Å |
| 121 | I | 82.2 | Confident | 92.1 | Very high | 59 Ų | 59 | 57.3 Ų | 57.3 | 30% | 0.303 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 101.1 | 172.8 | -53.8 | -179.2 | 0 | 0 | 0 | 106.6 | I119 G123 K124 I125 | I119-I121 HydrophobicContact CD1-CD1 4.26Å; I119-I121 HydrophobicContact CD1-CG1 4.44Å; I121-G123 PolarHBondContact O-N 3.08Å; I121-K124 HydrophobicContact CB-CB 4.22Å; I121-K124 HydrophobicContact CG2-CB 3.85Å; I121-K124 HydrophobicContact CG2-CD 4.04Å; I121-K124 HydrophobicContact CG2-CG 4.13Å; I121-K124 PolarHBondContact O-N 3.1Å; I121-I125 HydrophobicContact CB-CG2 3.98Å; I121-I125 HydrophobicContact CD1-CG2 3.78Å; I121-I125 HydrophobicContact CG1-CG2 4.02Å; I121-I125 PolarHBondContact N-O 2.96Å; I121-I125 PolarHBondContact O-N 2.93Å; I121-I125 VanDerWaalsContact O-N 3.1Å |
| 122 | P | 85.7 | Confident | 92.1 | Very high | 110 Ų | 110 | 58.5 Ų | 58.5 | 71% | 0.714 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.3 | 130.1 | -176.7 | -29.5 | 35.6 | 0 | 0 | 0 | 112.3 | N120 K124 | N120-P122 WeakPolarHBondContact O-CD 3.24Å; P122-K124 PolarHBondContact O-N 3.01Å |
| 123 | G | 85.4 | Confident | 92.1 | Very high | 91 Ų | 91 | 57 Ų | 57 | 94% | 0.938 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 71.7 | 4.2 | -179.8 | 0 | 0 | 0 | 0 | 0 | 115.9 | I121 | I121-G123 PolarHBondContact O-N 3.08Š|
| 124 | K | 81.1 | Confident | 92.1 | Very high | 149 Ų | 149 | 58.8 Ų | 58.8 | 65% | 0.648 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -125.2 | -62.9 | 178 | -62.5 | -167.1 | 179.5 | -176.3 | 0 | 113.5 | I121 P122 T219 | I121-K124 HydrophobicContact CB-CB 4.22Å; I121-K124 HydrophobicContact CG2-CB 3.85Å; I121-K124 HydrophobicContact CG2-CD 4.04Å; I121-K124 HydrophobicContact CG2-CG 4.13Å; I121-K124 PolarHBondContact O-N 3.1Å; P122-K124 PolarHBondContact O-N 3.01Å; K124-T219 HydrophobicContact CD-CG2 4.09Å |
| 125 | I | 79.7 | Confident | 92.1 | Very high | 37 Ų | 37 | 60.2 Ų | 60.2 | 19% | 0.19 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.6 | 131.6 | -174.2 | -176.9 | 164.5 | 0 | 0 | 0 | 110.7 | I119 I121 | I119-I125 HydrophobicContact CD1-CB 4.49Å; I119-I125 HydrophobicContact CD1-CD1 4.28Å; I119-I125 HydrophobicContact CD1-CG1 4.18Å; I119-I125 HydrophobicContact CD1-CG2 3.59Å; I121-I125 HydrophobicContact CB-CG2 3.98Å; I121-I125 HydrophobicContact CD1-CG2 3.78Å; I121-I125 HydrophobicContact CG1-CG2 4.02Å; I121-I125 PolarHBondContact N-O 2.96Å; I121-I125 PolarHBondContact O-N 2.93Å; I121-I125 VanDerWaalsContact O-N 3.1Å |
| 126 | V | 85.9 | Confident | 92.1 | Very high | 106 Ų | 106 | 58.4 Ų | 58.4 | 64% | 0.642 | 34% | 0.339 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 121.2 | 167.5 | -176.9 | 0 | 0 | 0 | 0 | 106.4 | I119 N120 | I119-V126 WeakPolarHBondContact O-CA 3.14Å; N120-V126 WeakPolarHBondContact OD1-CG2 3.25Å |
| 127 | Y | 90.4 | Very high | 91.8 | Very high | 34 Ų | 34 | 60.5 Ų | 60.5 | 13% | 0.133 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.8 | 138.2 | 177.8 | -170.8 | -97.6 | 0 | 0 | 0 | 109.1 | F48 G49 N50 F117 D118 I119 E129 | F48-Y127 HydrophobicContact CE1-CD1 4.31Å; F48-Y127 AromaticContact CE1-CE1 3.7Å; F48-Y127 HydrophobicContact CE1-CE1 3.7Å; F48-Y127 HydrophobicContact CE1-CE2 4.21Å; F48-Y127 AromaticContact CE1-CZ 3.65Å; F48-Y127 AromaticContact CZ-CE1 3.75Å; F48-Y127 HydrophobicContact CZ-CE1 3.75Å; G49-Y127 WeakPolarHBondContact CA-OH 3.47Å; N50-Y127 PolarHBondContact N-OH 2.94Å; N50-Y127 VanDerWaalsContact N-OH 3.11Å; N50-Y127 PolarHBondContact OD1-OH 2.85Å; F117-Y127 HydrophobicContact CB-CD1 4.42Å; F117-Y127 AromaticContact CD1-CD1 3.41Å; F117-Y127 HydrophobicContact CD1-CD1 3.41Å; F117-Y127 VanDerWaalsContact CD1-CD1 3.41Å; F117-Y127 HydrophobicContact CD1-CE1 4.02Å; F117-Y127 HydrophobicContact CD1-CG 4.19Å; F117-Y127 HydrophobicContact CE1-CD1 4.09Å; F117-Y127 HydrophobicContact CE1-CG 4.44Å; F117-Y127 HydrophobicContact CG-CD1 4.25Å; F117-Y127 VanDerWaalsContact O-CD1 3.32Å; F117-Y127 WeakPolarHBondContact O-CD1 3.45Å; D118-Y127 CarbonylContact C-O 3.56Å; D118-Y127 WeakPolarHBondContact CA-O 3.22Å; I119-Y127 PolarHBondContact N-O 3.41Å; I119-Y127 PolarHBondContact O-N 2.91Å; I119-Y127 VanDerWaalsContact O-O 3.09Å; Y127-E129 HydrophobicContact CD1-CB 4.36Å; Y127-E129 HydrophobicContact CE1-CB 3.74Å; Y127-E129 HydrophobicContact CE1-CG 4.22Å |
| 128 | K | 94.7 | Very high | 91.6 | Very high | 100 Ų | 100 | 64.5 Ų | 64.5 | 44% | 0.435 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 86.2 | -177 | -168.4 | 168.4 | 173.8 | -123.2 | 0 | 109.5 | N50 D118 S130 D131 | N50-K128 PolarHBondContact ND2-O 3.43Å; D118-K128 HydrophobicContact CB-CG 4.46Å; D118-K128 WeakPolarHBondContact OD1-CA 3.37Å; K128-S130 WeakPolarHBondContact CE-OG 3.26Å; K128-S130 WeakPolarHBondContact CG-OG 3.39Å; K128-S130 PolarHBondContact O-N 2.95Å; K128-D131 VanDerWaalsContact CD-OD1 3.3Å; K128-D131 WeakPolarHBondContact CD-OD1 3.41Å; K128-D131 WeakPolarHBondContact CE-OD1 3.46Å; K128-D131 IonicContact NZ-OD1 2.89Å; K128-D131 PolarHBondContact NZ-OD1 2.9Å; K128-D131 PolarHBondContact O-N 3.19Å; K128-D131 VanDerWaalsContact O-N 3.15Å |
| 129 | E | 96.6 | Very high | 91.5 | Very high | 4 Ų | 4 | 61.9 Ų | 61.9 | 2% | 0.019 | 37% | 0.371 | C | S | . | . | G | 310 helix | trans | -56.5 | -32.8 | 179.6 | -162.3 | 175.3 | -155.2 | 0 | 0 | 110.8 | N50 N96 K113 L116 F117 D118 Y127 D131 V132 I133 | N50-E129 PolarHBondContact OD1-O 3.11Å; N96-E129 PolarHBondContact ND2-OE1 2.62Å; K113-E129 VanDerWaalsContact CE-OE2 3.28Å; K113-E129 WeakPolarHBondContact CE-OE2 3.21Å; K113-E129 VanDerWaalsContact NZ-CD 3.34Å; K113-E129 IonicContact NZ-OE1 3.53Å; K113-E129 PolarHBondContact NZ-OE1 2.82Å; K113-E129 IonicContact NZ-OE2 3.01Å; K113-E129 PolarHBondContact NZ-OE2 3.34Å; L116-E129 WeakPolarHBondContact CA-OE2 3.38Å; L116-E129 HydrophobicContact CB-CB 4.22Å; F117-E129 HydrophobicContact CB-CB 4.23Å; F117-E129 WeakPolarHBondContact CB-OE2 3.34Å; F117-E129 PolarHBondContact N-OE2 3.26Å; F117-E129 PolarHBondContact O-N 2.77Å; D118-E129 PolarHBondContact OD1-N 2.76Å; Y127-E129 HydrophobicContact CD1-CB 4.36Å; Y127-E129 HydrophobicContact CE1-CB 3.74Å; Y127-E129 HydrophobicContact CE1-CG 4.22Å; E129-D131 PolarHBondContact O-N 3.5Å; E129-D131 VanDerWaalsContact O-N 3.15Å; E129-V132 PolarHBondContact O-N 2.89Å; E129-I133 HydrophobicContact CG-CB 3.96Å; E129-I133 HydrophobicContact CG-CG1 3.78Å; E129-I133 WeakPolarHBondContact O-CB 3.2Å; E129-I133 PolarHBondContact O-N 3.44Å |
| 130 | S | 97.5 | Very high | 91.7 | Very high | 43 Ų | 43 | 60.9 Ų | 60.9 | 30% | 0.301 | 37% | 0.366 | S | S | . | . | G | 310 helix | trans | -66.9 | -9.1 | 179.2 | 68.3 | 0 | 0 | 0 | 0 | 116.1 | D118 K128 V132 | D118-S130 VanDerWaalsContact CG-OG 3.24Å; D118-S130 PolarHBondContact OD1-N 3.14Å; D118-S130 PolarHBondContact OD1-OG 3.42Å; D118-S130 WeakPolarHBondContact OD2-CB 3.48Å; D118-S130 PolarHBondContact OD2-OG 3.01Å; K128-S130 WeakPolarHBondContact CE-OG 3.26Å; K128-S130 WeakPolarHBondContact CG-OG 3.39Å; K128-S130 PolarHBondContact O-N 2.95Å; S130-V132 PolarHBondContact O-N 2.94Å |
| 131 | D | 96.8 | Very high | 91.9 | Very high | 99 Ų | 99 | 55.6 Ų | 55.6 | 53% | 0.529 | 34% | 0.338 | S | S | . | . | G | 310 helix | trans | -68.6 | -20.4 | 172.8 | -72.5 | -18.5 | 0 | 0 | 0 | 112.4 | K128 E129 | K128-D131 VanDerWaalsContact CD-OD1 3.3Å; K128-D131 WeakPolarHBondContact CD-OD1 3.41Å; K128-D131 WeakPolarHBondContact CE-OD1 3.46Å; K128-D131 IonicContact NZ-OD1 2.89Å; K128-D131 PolarHBondContact NZ-OD1 2.9Å; K128-D131 PolarHBondContact O-N 3.19Å; K128-D131 VanDerWaalsContact O-N 3.15Å; E129-D131 PolarHBondContact O-N 3.5Å; E129-D131 VanDerWaalsContact O-N 3.15Å |
| 132 | V | 97.6 | Very high | 92.5 | Very high | 26 Ų | 26 | 52.8 Ų | 52.8 | 16% | 0.158 | 32% | 0.324 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -129.5 | -41.9 | 178 | -179.3 | 0 | 0 | 0 | 0 | 112.2 | N50 V53 R54 F94 E129 S130 | N50-V132 HydrophobicContact CB-CB 4.2Å; N50-V132 HydrophobicContact CB-CG2 3.71Å; V53-V132 HydrophobicContact CB-CG1 3.96Å; V53-V132 HydrophobicContact CG1-CG1 3.8Å; V53-V132 HydrophobicContact CG2-CG1 4.48Å; R54-V132 HydrophobicContact CG-CG1 4.37Å; F94-V132 HydrophobicContact CB-CG1 4.42Å; F94-V132 HydrophobicContact CD2-CG1 4.32Å; F94-V132 HydrophobicContact CG-CG1 4.43Å; E129-V132 PolarHBondContact O-N 2.89Å; S130-V132 PolarHBondContact O-N 2.94Å |
| 133 | I | 98.5 | Very high | 92.7 | Very high | 9 Ų | 9 | 48.5 Ų | 48.5 | 5% | 0.046 | 29% | 0.293 | C | S | . | . | B | Isolated β-bridge | trans | -85.8 | 137.7 | -174.6 | -58.1 | -61.5 | 0 | 0 | 0 | 110.8 | V53 F94 N96 L116 E129 | V53-I133 HydrophobicContact CB-CD1 4.48Å; V53-I133 HydrophobicContact CG1-CD1 3.74Å; V53-I133 HydrophobicContact CG2-CD1 3.93Å; F94-I133 HydrophobicContact CB-CD1 4.15Å; N96-I133 HydrophobicContact CB-CG2 4.12Å; L116-I133 HydrophobicContact CD1-CB 4.48Å; L116-I133 HydrophobicContact CD1-CG2 4.4Å; L116-I133 WeakPolarHBondContact CD1-O 3.21Å; L116-I133 HydrophobicContact CD2-CB 4.35Å; L116-I133 HydrophobicContact CD2-CG2 3.64Å; E129-I133 HydrophobicContact CG-CB 3.96Å; E129-I133 HydrophobicContact CG-CG1 3.78Å; E129-I133 WeakPolarHBondContact O-CB 3.2Å; E129-I133 PolarHBondContact O-N 3.44Å |
| 134 | T | 98.6 | Very high | 93 | Very high | 38 Ų | 38 | 44.5 Ų | 44.5 | 23% | 0.233 | 25% | 0.25 | C | S | . | . | P | Polyproline II helix | trans | -91.3 | 136.3 | 170.3 | -57.8 | 0 | 0 | 0 | 0 | 109.2 | K93 F94 Y95 | K93-T134 HydrophobicContact CD-CG2 4.22Å; F94-T134 WeakPolarHBondContact O-CB 3.38Å; F94-T134 PolarHBondContact O-N 2.84Å; Y95-T134 HydrophobicContact CD1-CG2 4.32Å; Y95-T134 WeakPolarHBondContact CD1-O 3.49Å; Y95-T134 HydrophobicContact CE1-CG2 3.53Å |
| 135 | P | 98.3 | Very high | 93.3 | Very high | 67 Ų | 67 | 41.1 Ų | 41.1 | 44% | 0.435 | 24% | 0.237 | S | C | . | . | P | Polyproline II helix | trans | -67.8 | 147.2 | 176.9 | 28 | -33.9 | 0 | 0 | 0 | 111.7 | L116 | L116-P135 HydrophobicContact CD1-CB 4.2Å; L116-P135 HydrophobicContact CD1-CG 4.45Å; L116-P135 HydrophobicContact CD2-CB 4.49Å; L116-P135 HydrophobicContact CG-CB 4.09Å |
| 136 | G | 97.3 | Very high | 93.7 | Very high | 13 Ų | 13 | 40.5 Ų | 40.5 | 13% | 0.134 | 23% | 0.233 | C | C | . | . | P | Polyproline II helix | trans | -68.1 | 161.4 | 162.5 | 0 | 0 | 0 | 0 | 0 | 112 | K113 | K113-G136 PolarHBondContact O-N 3.5Š|
| 137 | G | 92.8 | Very high | 93.9 | Very high | 64 Ų | 64 | 35.5 Ų | 35.5 | 66% | 0.66 | 20% | 0.203 | S | C | * | . | trans | -118.7 | -6 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 138 | E | 90.7 | Very high | 93.9 | Very high | 101 Ų | 101 | 34.1 Ų | 34.1 | 47% | 0.472 | 20% | 0.198 | S | C | . | . | trans | -136.4 | 129.2 | -164.6 | -68.3 | 173.7 | 148.6 | 0 | 0 | 111.8 | I332 | E138-I332 HydrophobicContact CB-CD1 4.02Å; E138-I332 HydrophobicContact CB-CG1 4.28Å; E138-I332 HydrophobicContact CG-CD1 4.49Å; E138-I332 WeakPolarHBondContact OE2-CD1 3.49Å | ||
| 139 | P | 92.7 | Very high | 93.9 | Very high | 10 Ų | 10 | 29.3 Ų | 29.3 | 7% | 0.065 | 18% | 0.177 | C | C | . | . | trans | -70.6 | 150.4 | 168.8 | 22 | -17.5 | 0 | 0 | 0 | 110.1 | M114 L162 Y166 F327 P331 I332 | M114-P139 HydrophobicContact CE-CB 4.38Å; P139-L162 HydrophobicContact CB-CD1 4.18Å; P139-Y166 HydrophobicContact CB-CE1 3.92Å; P139-Y166 WeakPolarHBondContact CB-OH 3.23Å; P139-F327 HydrophobicContact CB-CD1 3.92Å; P139-F327 HydrophobicContact CB-CE1 3.37Å; P139-F327 HydrophobicContact CB-CE2 4.33Å; P139-F327 HydrophobicContact CB-CZ 3.61Å; P139-F327 HydrophobicContact CG-CB 4.45Å; P139-F327 HydrophobicContact CG-CD1 3.32Å; P139-F327 HydrophobicContact CG-CD2 4.24Å; P139-F327 HydrophobicContact CG-CE1 3.37Å; P139-F327 HydrophobicContact CG-CE2 4.29Å; P139-F327 HydrophobicContact CG-CG 3.77Å; P139-F327 HydrophobicContact CG-CZ 3.88Å; P139-P331 HydrophobicContact CB-CB 4.1Å; P139-P331 HydrophobicContact CG-CB 3.91Å; P139-P331 CarbonylContact O-C 3.48Å; P139-P331 WeakPolarHBondContact O-CA 3.35Å; P139-I332 PolarHBondContact O-N 3.47Å | ||
| 140 | V | 93.8 | Very high | 93.8 | Very high | 2 Ų | 2 | 29.1 Ų | 29.1 | 1% | 0.012 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 130 | -176.7 | 177 | 0 | 0 | 0 | 0 | 110 | L100 R110 Y111 L151 Y166 I332 V334 | L100-V140 HydrophobicContact CD1-CG1 3.75Å; R110-V140 WeakPolarHBondContact O-CG2 3.44Å; Y111-V140 HydrophobicContact CD2-CB 3.99Å; Y111-V140 HydrophobicContact CD2-CG2 3.87Å; Y111-V140 HydrophobicContact CG-CG2 4.43Å; V140-L151 PolarHBondContact O-N 2.95Å; V140-Y166 PolarHBondContact N-OH 3.41Å; V140-Y166 WeakPolarHBondContact O-CE1 3.17Å; V140-Y166 PolarHBondContact O-OH 3.19Å; V140-I332 WeakPolarHBondContact CA-O 3.45Å; V140-I332 HydrophobicContact CG2-CB 4.27Å; V140-V334 HydrophobicContact CG1-CG2 3.96Å |
| 141 | I | 93.6 | Very high | 93.9 | Very high | 6 Ų | 6 | 27.1 Ų | 27.1 | 3% | 0.031 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 115.5 | 170.1 | -63.1 | 172.4 | 0 | 0 | 0 | 107.8 | N148 I149 Y166 I204 P331 I332 V334 | I141-N148 HydrophobicContact CG2-CB 3.98Å; I141-I149 CarbonylContact C-O 3.56Å; I141-I149 WeakPolarHBondContact CA-O 3.15Å; I141-Y166 HydrophobicContact CD1-CD1 4.3Å; I141-Y166 HydrophobicContact CG1-CD1 3.8Å; I141-Y166 HydrophobicContact CG1-CE1 3.84Å; I141-I204 HydrophobicContact CD1-CG2 3.64Å; I141-P331 HydrophobicContact CD1-CB 4.13Å; I141-P331 HydrophobicContact CD1-CG 3.69Å; I141-P331 HydrophobicContact CG1-CB 4.23Å; I141-P331 HydrophobicContact CG1-CG 4.34Å; I141-I332 PolarHBondContact N-O 3.1Å; I141-V334 PolarHBondContact O-N 3.26Å |
| 142 | F | 94.3 | Very high | 93.9 | Very high | 0 Ų | 0 | 22.4 Ų | 22.4 | 0% | 0 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 113.8 | 172.9 | -175.1 | -153.6 | 0 | 0 | 0 | 110 | Y80 I82 L100 V108 T144 I149 L151 V334 | Y80-F142 HydrophobicContact CD1-CE1 4.22Å; Y80-F142 HydrophobicContact CD1-CE2 4.26Å; Y80-F142 AromaticContact CD1-CZ 3.55Å; Y80-F142 HydrophobicContact CD1-CZ 3.55Å; Y80-F142 HydrophobicContact CE1-CZ 4.3Å; Y80-F142 HydrophobicContact CG-CZ 4.26Å; I82-F142 HydrophobicContact CD1-CD1 4.39Å; I82-F142 HydrophobicContact CG1-CD1 4.07Å; I82-F142 HydrophobicContact CG1-CE1 4.18Å; L100-F142 HydrophobicContact CB-CE1 4.46Å; L100-F142 HydrophobicContact CB-CE2 4.47Å; L100-F142 HydrophobicContact CB-CZ 4.38Å; L100-F142 HydrophobicContact CD1-CB 3.92Å; L100-F142 HydrophobicContact CD1-CD2 4.33Å; L100-F142 HydrophobicContact CD1-CG 4.04Å; L100-F142 HydrophobicContact CD2-CD1 4.04Å; L100-F142 HydrophobicContact CD2-CE1 4.44Å; L100-F142 HydrophobicContact CD2-CG 4.37Å; V108-F142 HydrophobicContact CG2-CD2 4.42Å; V108-F142 HydrophobicContact CG2-CE2 3.69Å; V108-F142 HydrophobicContact CG2-CZ 4.33Å; F142-T144 HydrophobicContact CE1-CG2 4.48Å; F142-I149 HydrophobicContact CB-CB 4.31Å; F142-I149 HydrophobicContact CD1-CD1 4.42Å; F142-I149 PolarHBondContact N-O 2.85Å; F142-I149 WeakPolarHBondContact O-CB 3.07Å; F142-I149 PolarHBondContact O-N 2.9Å; F142-L151 HydrophobicContact CB-CD2 3.77Å; F142-V334 HydrophobicContact CD2-CG1 4.28Å |
| 143 | R | 91.5 | Very high | 94 | Very high | 19 Ų | 19 | 21.1 Ų | 21.1 | 7% | 0.072 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 130.7 | 179.4 | 169.7 | 170.3 | -91.7 | 155.8 | -5.6 | 110.4 | N148 T197 V334 D335 G336 | R143-N148 PolarHBondContact NE-OD1 3.23Å; R143-T197 PolarHBondContact NE-OG1 3.06Å; R143-T197 PolarHBondContact NH1-OG1 3.11Å; R143-T197 PolarHBondContact NH2-O 3.24Å; R143-T197 PolarHBondContact NH2-OG1 2.83Å; R143-V334 PolarHBondContact N-O 3.05Å; R143-D335 VanDerWaalsContact CD-OD2 3.28Å; R143-D335 WeakPolarHBondContact CD-OD2 3.44Å; R143-G336 WeakPolarHBondContact O-CA 3.41Å; R143-G336 PolarHBondContact O-N 3.22Å |
| 144 | T | 91 | Very high | 94 | Very high | 7 Ų | 7 | 21 Ų | 21 | 4% | 0.043 | 13% | 0.128 | C | C | . | . | trans | -122.7 | 170.2 | 169.7 | 65 | 0 | 0 | 0 | 0 | 109 | Y80 F142 F146 A147 I149 | Y80-T144 HydrophobicContact CD1-CG2 4.05Å; Y80-T144 HydrophobicContact CD2-CG2 3.84Å; Y80-T144 HydrophobicContact CE1-CG2 4.1Å; Y80-T144 HydrophobicContact CE2-CG2 3.89Å; Y80-T144 HydrophobicContact CG-CG2 3.91Å; F142-T144 HydrophobicContact CE1-CG2 4.48Å; T144-F146 PolarHBondContact O-N 3.3Å; T144-F146 VanDerWaalsContact O-N 3.14Å; T144-F146 PolarHBondContact OG1-N 3.45Å; T144-A147 PolarHBondContact N-O 3Å; T144-A147 PolarHBondContact OG1-N 3.09Å; T144-A147 PolarHBondContact OG1-O 3.42Å; T144-I149 HydrophobicContact CG2-CD1 4.17Å | ||
| 145 | E | 88.1 | Confident | 93.9 | Very high | 79 Ų | 79 | 21.3 Ų | 21.3 | 37% | 0.369 | 13% | 0.126 | S | C | . | . | S | Bend | trans | -61.7 | -19.9 | 172.2 | 69.3 | -89 | -144.4 | 0 | 0 | 112.6 | Y80 R103 C337 | Y80-E145 WeakPolarHBondContact CE2-OE2 3.39Å; Y80-E145 PolarHBondContact OH-OE2 2.95Å; R103-E145 IonicContact CZ-OE1 2.78Å; R103-E145 IonicContact NH1-OE1 3.72Å; R103-E145 PolarHBondContact NH1-OE1 3.45Å; E145-C337 PolarHBondContact N-SG 3.28Å |
| 146 | F | 88.1 | Confident | 94 | Very high | 24 Ų | 24 | 18.1 Ų | 18.1 | 11% | 0.105 | 11% | 0.105 | C | C | . | . | S | Bend | trans | -92.5 | -44.3 | -176.2 | -44.8 | -69.4 | 0 | 0 | 0 | 113 | M1 F3 K36 Y80 T144 K285 | M1-F146 HydrophobicContact SD-CD1 4.16Å; F3-F146 HydrophobicContact CB-CB 4.1Å; F3-F146 HydrophobicContact CB-CD1 3.7Å; F3-F146 HydrophobicContact CB-CD2 4.27Å; F3-F146 HydrophobicContact CB-CE1 4.19Å; F3-F146 HydrophobicContact CB-CG 3.75Å; F3-F146 HydrophobicContact CD1-CB 3.4Å; F3-F146 HydrophobicContact CD1-CG 4.03Å; F3-F146 HydrophobicContact CD2-CB 4.04Å; F3-F146 HydrophobicContact CD2-CD2 4.04Å; F3-F146 HydrophobicContact CD2-CG 4.06Å; F3-F146 HydrophobicContact CE1-CB 3.68Å; F3-F146 HydrophobicContact CE2-CB 4.29Å; F3-F146 HydrophobicContact CG-CB 3.57Å; F3-F146 HydrophobicContact CG-CD1 4.15Å; F3-F146 HydrophobicContact CG-CD2 4.13Å; F3-F146 AromaticContact CG-CG 3.68Å; F3-F146 HydrophobicContact CG-CG 3.68Å; F3-F146 HydrophobicContact CZ-CB 4.12Å; K36-F146 HydrophobicContact CB-CD2 4.41Å; K36-F146 HydrophobicContact CB-CE2 3.68Å; K36-F146 HydrophobicContact CB-CZ 3.95Å; K36-F146 HydrophobicContact CD-CZ 4.33Å; K36-F146 HydrophobicContact CG-CE2 4.16Å; K36-F146 HydrophobicContact CG-CZ 3.89Å; Y80-F146 HydrophobicContact CD2-CE2 4.31Å; Y80-F146 HydrophobicContact CE2-CD2 4.49Å; Y80-F146 HydrophobicContact CE2-CE2 4Å; T144-F146 PolarHBondContact O-N 3.3Å; T144-F146 VanDerWaalsContact O-N 3.14Å; T144-F146 PolarHBondContact OG1-N 3.45Å; F146-K285 WeakPolarHBondContact O-CD 3.37Å |
| 147 | A | 89.6 | Confident | 94 | Very high | 1 Ų | 1 | 17.5 Ų | 17.5 | 1% | 0.008 | 10% | 0.099 | C | C | . | . | trans | -158.2 | 155.8 | -168.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | F3 T144 I149 Q208 | F3-A147 HydrophobicContact CE1-CB 3.89Å; F3-A147 HydrophobicContact CZ-CB 3.89Å; T144-A147 PolarHBondContact N-O 3Å; T144-A147 PolarHBondContact OG1-N 3.09Å; T144-A147 PolarHBondContact OG1-O 3.42Å; A147-I149 HydrophobicContact CB-CG1 4.47Å; A147-Q208 HydrophobicContact CB-CB 4.04Å | ||
| 148 | N | 90.4 | Very high | 94.2 | Very high | 4 Ų | 4 | 17.3 Ų | 17.3 | 2% | 0.021 | 8% | 0.078 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | 127.8 | 158.6 | -66.2 | -13.4 | 0 | 0 | 0 | 108.6 | I141 R143 A205 C207 Q208 | I141-N148 HydrophobicContact CG2-CB 3.98Å; R143-N148 PolarHBondContact NE-OD1 3.23Å; N148-A205 WeakPolarHBondContact ND2-CB 3.28Å; N148-A205 PolarHBondContact ND2-O 3.4Å; N148-C207 WeakPolarHBondContact O-CA 3.48Å; N148-Q208 VanDerWaalsContact N-OE1 3.1Å; N148-Q208 PolarHBondContact O-N 3.5Å |
| 149 | I | 94.5 | Very high | 94.5 | Very high | 0 Ų | 0 | 15.2 Ų | 15.2 | 0% | 0 | 7% | 0.068 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 119.6 | -175.8 | -52.5 | 176.6 | 0 | 0 | 0 | 108.7 | V37 I82 I141 F142 T144 A147 L151 L209 V211 | V37-I149 HydrophobicContact CG1-CD1 4.26Å; V37-I149 HydrophobicContact CG2-CD1 4.38Å; I82-I149 HydrophobicContact CD1-CD1 4.34Å; I82-I149 HydrophobicContact CD1-CG2 4.06Å; I141-I149 CarbonylContact C-O 3.56Å; I141-I149 WeakPolarHBondContact CA-O 3.15Å; F142-I149 HydrophobicContact CB-CB 4.31Å; F142-I149 HydrophobicContact CD1-CD1 4.42Å; F142-I149 PolarHBondContact N-O 2.85Å; F142-I149 WeakPolarHBondContact O-CB 3.07Å; F142-I149 PolarHBondContact O-N 2.9Å; T144-I149 HydrophobicContact CG2-CD1 4.17Å; A147-I149 HydrophobicContact CB-CG1 4.47Å; I149-L151 HydrophobicContact CG2-CD2 4.27Å; I149-L151 VanDerWaalsContact O-CD2 3.24Å; I149-L151 WeakPolarHBondContact O-CD2 3.28Å; I149-L209 CarbonylContact C-O 3.43Å; I149-L209 VanDerWaalsContact CA-O 3.29Å; I149-L209 WeakPolarHBondContact CA-O 3.09Å; I149-L209 HydrophobicContact CD1-CD2 4.25Å; I149-L209 HydrophobicContact CG1-CB 4.4Å; I149-L209 HydrophobicContact CG1-CD2 4.27Å; I149-L209 HydrophobicContact CG2-CB 4.49Å; I149-L209 HydrophobicContact CG2-CD2 4.28Å; I149-L209 HydrophobicContact CG2-CG 4.27Å; I149-V211 HydrophobicContact CG2-CB 4.16Å; I149-V211 HydrophobicContact CG2-CG2 3.49Å; I149-V211 VanDerWaalsContact CG2-CG2 3.49Å |
| 150 | G | 95.3 | Very high | 94.6 | Very high | 0 Ų | 0 | 16.8 Ų | 16.8 | 0% | 0 | 8% | 0.077 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 135.8 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111 | L209 L210 V211 | G150-L209 PolarHBondContact N-O 3.24Å; G150-L210 WeakPolarHBondContact O-CA 3.07Å; G150-V211 PolarHBondContact O-N 3.38Å |
| 151 | L | 97.6 | Very high | 94.5 | Very high | 0 Ų | 0 | 22.9 Ų | 22.9 | 0% | 0 | 11% | 0.106 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 135.9 | -174.4 | -74.9 | -61.7 | 0 | 0 | 0 | 111.9 | I82 L100 Y111 V140 F142 I149 Y166 V211 | I82-L151 HydrophobicContact CD1-CD1 4.3Å; I82-L151 HydrophobicContact CG2-CD1 3.92Å; L100-L151 HydrophobicContact CD2-CD1 4.23Å; L100-L151 HydrophobicContact CD2-CG 4.33Å; Y111-L151 HydrophobicContact CD1-CB 4.32Å; Y111-L151 HydrophobicContact CD2-CB 4.1Å; Y111-L151 HydrophobicContact CG-CB 3.84Å; V140-L151 PolarHBondContact O-N 2.95Å; F142-L151 HydrophobicContact CB-CD2 3.77Å; I149-L151 HydrophobicContact CG2-CD2 4.27Å; I149-L151 VanDerWaalsContact O-CD2 3.24Å; I149-L151 WeakPolarHBondContact O-CD2 3.28Å; L151-Y166 WeakPolarHBondContact O-CE2 3.46Å; L151-Y166 VanDerWaalsContact O-CZ 3.27Å; L151-Y166 PolarHBondContact O-OH 2.54Å; L151-V211 HydrophobicContact CD1-CB 4.28Å |
| 152 | G | 98.4 | Very high | 94.4 | Very high | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 11% | 0.107 | C | C | . | . | trans | -141.3 | 166.8 | 162.2 | 0 | 0 | 0 | 0 | 0 | 109.4 | V211 Y212 P213 | G152-V211 PolarHBondContact N-O 3.01Å; G152-Y212 VanDerWaalsContact O-CA 3.31Å; G152-Y212 WeakPolarHBondContact O-CA 3.49Å; G152-P213 WeakPolarHBondContact O-CD 3.48Å | ||
| 153 | I | 98.8 | Very high | 94.4 | Very high | 0 Ų | 0 | 23.1 Ų | 23.1 | 0% | 0 | 11% | 0.107 | C | C | . | . | trans | -125.3 | 121 | 175.2 | -65.7 | 161.7 | 0 | 0 | 0 | 108.7 | E42 T85 N96 C98 Y111 K113 Y155 D156 P213 | E42-I153 HydrophobicContact CG-CG2 3.98Å; E42-I153 VanDerWaalsContact OE1-CG2 3.26Å; E42-I153 WeakPolarHBondContact OE1-CG2 3.27Å; T85-I153 HydrophobicContact CG2-CB 4.36Å; T85-I153 HydrophobicContact CG2-CD1 3.46Å; T85-I153 VanDerWaalsContact CG2-CD1 3.46Å; T85-I153 HydrophobicContact CG2-CG1 3.6Å; T85-I153 HydrophobicContact CG2-CG2 3.78Å; N96-I153 WeakPolarHBondContact O-CD1 3.47Å; C98-I153 HydrophobicContact CB-CD1 4.07Å; C98-I153 HydrophobicContact CB-CG1 4.41Å; Y111-I153 HydrophobicContact CD1-CD1 3.49Å; Y111-I153 VanDerWaalsContact CD1-CD1 3.49Å; Y111-I153 HydrophobicContact CD1-CG1 3.69Å; Y111-I153 HydrophobicContact CE1-CB 4.2Å; Y111-I153 HydrophobicContact CE1-CD1 3.73Å; Y111-I153 HydrophobicContact CE1-CG1 3.71Å; K113-I153 HydrophobicContact CB-CB 4.08Å; K113-I153 HydrophobicContact CB-CD1 3.81Å; K113-I153 HydrophobicContact CB-CG2 4.34Å; K113-I153 HydrophobicContact CD-CB 4.13Å; K113-I153 HydrophobicContact CD-CG2 3.69Å; K113-I153 HydrophobicContact CG-CB 3.92Å; K113-I153 HydrophobicContact CG-CG2 4.08Å; I153-Y155 PolarHBondContact O-N 2.99Å; I153-D156 PolarHBondContact N-OD2 2.83Å; I153-D156 WeakPolarHBondContact O-CB 3.21Å; I153-D156 PolarHBondContact O-N 3.03Å; I153-P213 CarbonylContact C-O 3.54Å; I153-P213 WeakPolarHBondContact CA-O 3.46Å | ||
| 154 | C | 98.3 | Very high | 94.4 | Very high | 5 Ų | 5 | 24.6 Ų | 24.6 | 3% | 0.034 | 12% | 0.116 | C | C | . | . | G | 310 helix | trans | 47.8 | -99.5 | 166.5 | -166.6 | 0 | 0 | 0 | 0 | 114.4 | E42 D156 V157 P213 S214 | E42-C154 VanDerWaalsContact CD-CB 3.49Å; E42-C154 WeakPolarHBondContact OE2-CB 3.46Å; E42-C154 PolarHBondContact OE2-SG 3.46Å; C154-D156 PolarHBondContact O-N 2.98Å; C154-D156 VanDerWaalsContact O-N 3.14Å; C154-V157 WeakPolarHBondContact O-CB 3.17Å; C154-V157 WeakPolarHBondContact O-CG1 3.44Å; C154-V157 PolarHBondContact O-N 3.25Å; C154-P213 PolarHBondContact N-O 3.21Å; C154-S214 WeakPolarHBondContact CA-OG 3.38Å; C154-S214 PolarHBondContact N-OG 3.38Å |
| 155 | Y | 98 | Very high | 94.2 | Very high | 46 Ų | 46 | 24.5 Ų | 24.5 | 18% | 0.18 | 12% | 0.117 | C | C | . | . | G | 310 helix | trans | -58.2 | -26.9 | -178.4 | -157.8 | -121 | 0 | 0 | 0 | 113 | H115 L116 F117 I119 I153 V157 R158 F159 | H115-Y155 HydrophobicContact CB-CD1 4.05Å; L116-Y155 VanDerWaalsContact O-CD1 3.28Å; L116-Y155 WeakPolarHBondContact O-CD1 3Å; L116-Y155 WeakPolarHBondContact O-CE1 3.47Å; F117-Y155 HydrophobicContact CB-CG 4.42Å; F117-Y155 AromaticContact CD2-CD2 3.34Å; F117-Y155 HydrophobicContact CD2-CD2 3.34Å; F117-Y155 AromaticContact CD2-CE2 3.58Å; F117-Y155 HydrophobicContact CD2-CE2 3.58Å; F117-Y155 AromaticContact CD2-CG 3.93Å; F117-Y155 HydrophobicContact CD2-CG 3.93Å; F117-Y155 AromaticContact CE2-CD2 3.87Å; F117-Y155 HydrophobicContact CE2-CD2 3.87Å; F117-Y155 AromaticContact CE2-CE2 3.9Å; F117-Y155 HydrophobicContact CE2-CE2 3.9Å; F117-Y155 HydrophobicContact CG-CD2 4.42Å; I119-Y155 HydrophobicContact CG2-CE2 3.92Å; I153-Y155 PolarHBondContact O-N 2.99Å; Y155-V157 PolarHBondContact O-N 2.77Å; Y155-V157 VanDerWaalsContact O-N 3.14Å; Y155-R158 HydrophobicContact CD2-CG 4.42Å; Y155-R158 VanDerWaalsContact O-CB 3.3Å; Y155-R158 WeakPolarHBondContact O-CB 3.32Å; Y155-R158 PolarHBondContact O-N 2.92Å; Y155-F159 AromaticContact CD1-CE2 3.69Å; Y155-F159 HydrophobicContact CD1-CE2 3.69Å; Y155-F159 HydrophobicContact CD1-CZ 4.17Å; Y155-F159 AromaticContact CE1-CE2 3.83Å; Y155-F159 HydrophobicContact CE1-CE2 3.83Å; Y155-F159 AromaticContact CE1-CZ 3.89Å; Y155-F159 HydrophobicContact CE1-CZ 3.89Å; Y155-F159 HydrophobicContact CG-CE2 4.4Å; Y155-F159 VanDerWaalsContact O-CD2 3.3Å; Y155-F159 WeakPolarHBondContact O-CD2 3.47Å; Y155-F159 WeakPolarHBondContact O-CE2 3.46Å |
| 156 | D | 98.4 | Very high | 94.3 | Very high | 0 Ų | 0 | 20.9 Ų | 20.9 | 0% | 0 | 10% | 0.1 | C | C | . | . | G | 310 helix | trans | -54.7 | -30.6 | 173.5 | -71 | -30.5 | 0 | 0 | 0 | 113 | Y111 H115 I153 C154 R158 F159 L162 Y212 | Y111-D156 VanDerWaalsContact CE1-OD2 3.28Å; Y111-D156 WeakPolarHBondContact CE1-OD2 3.38Å; Y111-D156 VanDerWaalsContact OH-CG 3.23Å; Y111-D156 PolarHBondContact OH-OD2 3.03Å; H115-D156 VanDerWaalsContact CB-OD1 3.32Å; H115-D156 WeakPolarHBondContact CB-OD1 3.48Å; H115-D156 IonicContact CE1-OD1 3.89Å; H115-D156 IonicContact CG-OD1 2.69Å; H115-D156 PolarHBondContact N-OD1 3.35Å; H115-D156 IonicContact ND1-OD1 3.01Å; H115-D156 PolarHBondContact ND1-OD1 2.85Å; I153-D156 PolarHBondContact N-OD2 2.83Å; I153-D156 WeakPolarHBondContact O-CB 3.21Å; I153-D156 PolarHBondContact O-N 3.03Å; C154-D156 PolarHBondContact O-N 2.98Å; C154-D156 VanDerWaalsContact O-N 3.14Å; D156-R158 PolarHBondContact O-N 2.88Å; D156-R158 VanDerWaalsContact O-N 3.1Å; D156-F159 PolarHBondContact O-N 3.08Å; D156-L162 HydrophobicContact CB-CD2 3.98Å; D156-Y212 HydrophobicContact CB-CE1 4.42Å |
| 157 | V | 98.2 | Very high | 94.2 | Very high | 0 Ų | 0 | 19.8 Ų | 19.8 | 0% | 0 | 10% | 0.095 | C | C | . | . | G | 310 helix | trans | -63.3 | -18.9 | 177.8 | 81.8 | 0 | 0 | 0 | 0 | 112 | C154 Y155 F159 Y212 F216 L228 R232 M242 | C154-V157 WeakPolarHBondContact O-CB 3.17Å; C154-V157 WeakPolarHBondContact O-CG1 3.44Å; C154-V157 PolarHBondContact O-N 3.25Å; Y155-V157 PolarHBondContact O-N 2.77Å; Y155-V157 VanDerWaalsContact O-N 3.14Å; V157-F159 PolarHBondContact O-N 3.28Å; V157-Y212 HydrophobicContact CB-CD1 3.82Å; V157-Y212 HydrophobicContact CB-CE1 3.94Å; V157-Y212 HydrophobicContact CB-CG 4.22Å; V157-Y212 HydrophobicContact CG2-CD1 4.18Å; V157-Y212 HydrophobicContact CG2-CD2 4.22Å; V157-Y212 HydrophobicContact CG2-CE1 4.13Å; V157-Y212 HydrophobicContact CG2-CE2 4.16Å; V157-Y212 HydrophobicContact CG2-CG 4.23Å; V157-F216 HydrophobicContact CG1-CE1 4.13Å; V157-F216 HydrophobicContact CG1-CZ 3.64Å; V157-L228 HydrophobicContact CG1-CB 4.18Å; V157-L228 HydrophobicContact CG1-CD1 3.86Å; V157-L228 HydrophobicContact CG2-CB 4.22Å; V157-R232 HydrophobicContact CG2-CG 3.86Å; V157-R232 PolarHBondContact O-NE 2.93Å; V157-R232 PolarHBondContact O-NH2 2.89Å; V157-M242 HydrophobicContact CB-CE 4.38Å; V157-M242 HydrophobicContact CG1-CE 3.98Å; V157-M242 HydrophobicContact CG2-CE 4.24Å; V157-M242 HydrophobicContact CG2-SD 4.17Å |
| 158 | R | 97.8 | Very high | 93.6 | Very high | 59 Ų | 59 | 20.3 Ų | 20.3 | 22% | 0.223 | 10% | 0.097 | C | C | . | . | G | 310 helix | trans | -75.8 | -11.2 | 175.9 | -63.4 | -176.8 | -176.2 | -77.4 | -10.2 | 113.4 | Y155 D156 P160 F216 H224 L228 R232 | Y155-R158 HydrophobicContact CD2-CG 4.42Å; Y155-R158 VanDerWaalsContact O-CB 3.3Å; Y155-R158 WeakPolarHBondContact O-CB 3.32Å; Y155-R158 PolarHBondContact O-N 2.92Å; D156-R158 PolarHBondContact O-N 2.88Å; D156-R158 VanDerWaalsContact O-N 3.1Å; R158-P160 WeakPolarHBondContact O-CD 3.41Å; R158-F216 VanDerWaalsContact NH2-CE2 3.34Å; R158-H224 PolarHBondContact NH1-ND1 3.1Å; R158-H224 VanDerWaalsContact NH1-ND1 3.17Å; R158-H224 PolarHBondContact NH2-ND1 3.24Å; R158-L228 HydrophobicContact CG-CD1 3.75Å; R158-R232 PolarHBondContact O-NH2 3.02Å |
| 159 | F | 96.5 | Very high | 92.2 | Very high | 58 Ų | 58 | 24.5 Ų | 24.5 | 25% | 0.254 | 12% | 0.115 | S | C | . | . | trans | -106.8 | 90.2 | -175.6 | -60 | -95.1 | 0 | 0 | 0 | 110 | H115 Y155 D156 V157 Q161 L162 | H115-F159 HydrophobicContact CB-CD2 3.68Å; H115-F159 HydrophobicContact CB-CE1 4.45Å; H115-F159 HydrophobicContact CB-CE2 3.25Å; H115-F159 HydrophobicContact CB-CG 4.46Å; H115-F159 HydrophobicContact CB-CZ 3.69Å; H115-F159 AromaticContact CD2-CD1 3.39Å; H115-F159 WeakPolarHBondContact CD2-CD1 3.45Å; H115-F159 AromaticContact CD2-CD2 3.64Å; H115-F159 AromaticContact CD2-CE1 3.4Å; H115-F159 WeakPolarHBondContact CD2-CE1 3.27Å; H115-F159 AromaticContact CD2-CE2 3.68Å; H115-F159 AromaticContact CD2-CG 3.51Å; H115-F159 AromaticContact CD2-CZ 3.55Å; H115-F159 AromaticContact CE1-CG 3.71Å; H115-F159 AromaticContact CG-CD2 3.35Å; H115-F159 AromaticContact CG-CE2 3.39Å; H115-F159 AromaticContact CG-CG 3.69Å; H115-F159 AromaticContact CG-CZ 3.72Å; H115-F159 AromaticContact ND1-CD2 3.6Å; H115-F159 AromaticContact ND1-CG 3.8Å; H115-F159 AromaticContact NE2-CD1 3.52Å; H115-F159 AromaticContact NE2-CG 3.53Å; Y155-F159 AromaticContact CD1-CE2 3.69Å; Y155-F159 HydrophobicContact CD1-CE2 3.69Å; Y155-F159 HydrophobicContact CD1-CZ 4.17Å; Y155-F159 AromaticContact CE1-CE2 3.83Å; Y155-F159 HydrophobicContact CE1-CE2 3.83Å; Y155-F159 AromaticContact CE1-CZ 3.89Å; Y155-F159 HydrophobicContact CE1-CZ 3.89Å; Y155-F159 HydrophobicContact CG-CE2 4.4Å; Y155-F159 VanDerWaalsContact O-CD2 3.3Å; Y155-F159 WeakPolarHBondContact O-CD2 3.47Å; Y155-F159 WeakPolarHBondContact O-CE2 3.46Å; D156-F159 PolarHBondContact O-N 3.08Å; V157-F159 PolarHBondContact O-N 3.28Å; F159-Q161 PolarHBondContact O-N 3.03Å; F159-Q161 VanDerWaalsContact O-N 3.08Å; F159-L162 PolarHBondContact O-N 2.79Å; F159-L162 VanDerWaalsContact O-N 3.16Å | ||
| 160 | P | 94.7 | Very high | 90 | Very high | 42 Ų | 42 | 25.8 Ų | 25.8 | 27% | 0.273 | 13% | 0.129 | S | C | . | . | H | α-helix | trans | -59.2 | -24 | -176.7 | 24.7 | -34.5 | 0 | 0 | 0 | 113.2 | R158 L162 A163 L164 | R158-P160 WeakPolarHBondContact O-CD 3.41Å; P160-L162 VanDerWaalsContact C-N 3.27Å; P160-L162 PolarHBondContact O-N 3Å; P160-A163 PolarHBondContact O-N 2.87Å; P160-L164 WeakPolarHBondContact O-CB 3.36Å; P160-L164 VanDerWaalsContact O-CG 3.31Å; P160-L164 WeakPolarHBondContact O-CG 3.21Å; P160-L164 PolarHBondContact O-N 2.81Å |
| 161 | Q | 91.4 | Very high | 87.5 | Confident | 130 Ų | 130 | 32.5 Ų | 32.5 | 61% | 0.607 | 16% | 0.16 | S | C | * | . | H | α-helix | trans | -57.1 | -40.9 | 177.9 | -59.9 | 83.7 | -7.1 | 0 | 0 | 111.8 | F159 A165 | F159-Q161 PolarHBondContact O-N 3.03Å; F159-Q161 VanDerWaalsContact O-N 3.08Å; Q161-A165 VanDerWaalsContact O-CB 3.25Å; Q161-A165 WeakPolarHBondContact O-CB 3.45Å; Q161-A165 PolarHBondContact O-N 2.8Å |
| 162 | L | 92.4 | Very high | 84.8 | Confident | 10 Ų | 10 | 35.7 Ų | 35.7 | 5% | 0.052 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -64 | -48.1 | 177.9 | 177.9 | 56.9 | 0 | 0 | 0 | 111.1 | M114 P139 D156 F159 P160 A165 Y166 F327 | M114-L162 HydrophobicContact CE-CD1 3.48Å; M114-L162 VanDerWaalsContact CE-CD1 3.48Å; M114-L162 HydrophobicContact CE-CD2 3.76Å; M114-L162 HydrophobicContact CE-CG 4.22Å; P139-L162 HydrophobicContact CB-CD1 4.18Å; D156-L162 HydrophobicContact CB-CD2 3.98Å; F159-L162 PolarHBondContact O-N 2.79Å; F159-L162 VanDerWaalsContact O-N 3.16Å; P160-L162 VanDerWaalsContact C-N 3.27Å; P160-L162 PolarHBondContact O-N 3Å; L162-A165 PolarHBondContact O-N 2.94Å; L162-Y166 HydrophobicContact CD1-CD2 4.03Å; L162-Y166 HydrophobicContact CD1-CE2 3.38Å; L162-Y166 HydrophobicContact CD2-CE2 4.21Å; L162-Y166 HydrophobicContact CG-CD2 4.07Å; L162-Y166 HydrophobicContact CG-CE2 3.58Å; L162-Y166 VanDerWaalsContact O-CD2 3.27Å; L162-Y166 WeakPolarHBondContact O-CD2 3.47Å; L162-Y166 PolarHBondContact O-N 2.74Å; L162-F327 HydrophobicContact CD1-CE1 3.83Å; L162-F327 HydrophobicContact CD1-CZ 4.34Å |
| 163 | A | 93.8 | Very high | 82.2 | Confident | 1 Ų | 1 | 39.4 Ų | 39.4 | 1% | 0.008 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -64.3 | -43.8 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | P160 A165 Y166 A167 L210 R232 T236 | P160-A163 PolarHBondContact O-N 2.87Å; A163-A165 VanDerWaalsContact C-N 3.34Å; A163-A165 PolarHBondContact O-N 2.73Å; A163-Y166 PolarHBondContact O-N 2.85Å; A163-A167 WeakPolarHBondContact O-CB 3.38Å; A163-A167 PolarHBondContact O-N 3.24Å; A163-L210 HydrophobicContact CB-CD1 3.78Å; A163-R232 HydrophobicContact CB-CG 4.46Å; A163-T236 HydrophobicContact CB-CG2 3.81Å; A163-T236 WeakPolarHBondContact O-CG2 3.37Å |
| 164 | L | 90.6 | Very high | 79.3 | Confident | 50 Ų | 50 | 45.8 Ų | 45.8 | 26% | 0.262 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -63.1 | -40.5 | 175.9 | -71.5 | 170.7 | 0 | 0 | 0 | 111.5 | P160 Y166 A167 N168 D235 T236 | P160-L164 WeakPolarHBondContact O-CB 3.36Å; P160-L164 VanDerWaalsContact O-CG 3.31Å; P160-L164 WeakPolarHBondContact O-CG 3.21Å; P160-L164 PolarHBondContact O-N 2.81Å; L164-Y166 VanDerWaalsContact C-N 3.35Å; L164-Y166 PolarHBondContact O-N 3.15Å; L164-A167 PolarHBondContact O-N 2.96Å; L164-A167 VanDerWaalsContact O-N 3.11Å; L164-N168 WeakPolarHBondContact O-CB 3.26Å; L164-N168 PolarHBondContact O-N 3.45Å; L164-D235 HydrophobicContact CD2-CB 4.34Å; L164-T236 HydrophobicContact CD2-CG2 4.4Å |
| 165 | A | 87.7 | Confident | 76 | Confident | 6 Ų | 6 | 48.6 Ų | 48.6 | 5% | 0.05 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -64 | -38.2 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q161 L162 A163 A167 F327 | Q161-A165 VanDerWaalsContact O-CB 3.25Å; Q161-A165 WeakPolarHBondContact O-CB 3.45Å; Q161-A165 PolarHBondContact O-N 2.8Å; L162-A165 PolarHBondContact O-N 2.94Å; A163-A165 VanDerWaalsContact C-N 3.34Å; A163-A165 PolarHBondContact O-N 2.73Å; A165-A167 VanDerWaalsContact C-N 3.31Å; A165-A167 PolarHBondContact O-N 2.92Å; A165-F327 HydrophobicContact CB-CD1 3.59Å; A165-F327 HydrophobicContact CB-CD2 4.1Å; A165-F327 HydrophobicContact CB-CE1 3.29Å; A165-F327 HydrophobicContact CB-CE2 3.82Å; A165-F327 HydrophobicContact CB-CG 4.01Å; A165-F327 HydrophobicContact CB-CZ 3.41Å; A165-F327 VanDerWaalsContact CB-CZ 3.41Å |
| 166 | Y | 90 | Very high | 72.6 | Confident | 3 Ų | 3 | 54.4 Ų | 54.4 | 1% | 0.012 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -66.3 | -30.8 | 171.3 | -73.6 | -48.1 | 0 | 0 | 0 | 113.7 | P139 V140 I141 L151 L162 A163 L164 C207 L210 F327 | P139-Y166 HydrophobicContact CB-CE1 3.92Å; P139-Y166 WeakPolarHBondContact CB-OH 3.23Å; V140-Y166 PolarHBondContact N-OH 3.41Å; V140-Y166 WeakPolarHBondContact O-CE1 3.17Å; V140-Y166 PolarHBondContact O-OH 3.19Å; I141-Y166 HydrophobicContact CD1-CD1 4.3Å; I141-Y166 HydrophobicContact CG1-CD1 3.8Å; I141-Y166 HydrophobicContact CG1-CE1 3.84Å; L151-Y166 WeakPolarHBondContact O-CE2 3.46Å; L151-Y166 VanDerWaalsContact O-CZ 3.27Å; L151-Y166 PolarHBondContact O-OH 2.54Å; L162-Y166 HydrophobicContact CD1-CD2 4.03Å; L162-Y166 HydrophobicContact CD1-CE2 3.38Å; L162-Y166 HydrophobicContact CD2-CE2 4.21Å; L162-Y166 HydrophobicContact CG-CD2 4.07Å; L162-Y166 HydrophobicContact CG-CE2 3.58Å; L162-Y166 VanDerWaalsContact O-CD2 3.27Å; L162-Y166 WeakPolarHBondContact O-CD2 3.47Å; L162-Y166 PolarHBondContact O-N 2.74Å; A163-Y166 PolarHBondContact O-N 2.85Å; L164-Y166 VanDerWaalsContact C-N 3.35Å; L164-Y166 PolarHBondContact O-N 3.15Å; Y166-C207 WeakPolarHBondContact O-CB 3.28Å; Y166-C207 PolarHBondContact O-N 2.88Å; Y166-C207 PolarHBondContact O-SG 3.46Å; Y166-L210 HydrophobicContact CD2-CD2 4Å; Y166-L210 HydrophobicContact CG-CD2 4.13Å; Y166-F327 HydrophobicContact CD1-CE2 4Å; Y166-F327 AromaticContact CD1-CZ 3.53Å; Y166-F327 HydrophobicContact CD1-CZ 3.53Å; Y166-F327 HydrophobicContact CE1-CE2 4.26Å; Y166-F327 AromaticContact CE1-CZ 3.62Å; Y166-F327 HydrophobicContact CE1-CZ 3.62Å; Y166-F327 HydrophobicContact CG-CZ 4.05Å |
| 167 | A | 86.1 | Confident | 69.3 | Low | 0 Ų | 0 | 60.3 Ų | 60.3 | 0% | 0 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -82.3 | -30.2 | -178.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | A163 L164 A165 R206 T236 L315 | A163-A167 WeakPolarHBondContact O-CB 3.38Å; A163-A167 PolarHBondContact O-N 3.24Å; L164-A167 PolarHBondContact O-N 2.96Å; L164-A167 VanDerWaalsContact O-N 3.11Å; A165-A167 VanDerWaalsContact C-N 3.31Å; A165-A167 PolarHBondContact O-N 2.92Å; A167-R206 WeakPolarHBondContact O-CB 3.3Å; A167-R206 WeakPolarHBondContact O-CD 3.44Å; A167-R206 WeakPolarHBondContact O-CG 3.12Å; A167-R206 PolarHBondContact O-NE 2.91Å; A167-T236 VanDerWaalsContact CB-CB 3.49Å; A167-T236 HydrophobicContact CB-CG2 3.76Å; A167-L315 HydrophobicContact CB-CD1 4.21Å; A167-L315 HydrophobicContact CB-CD2 4.29Å |
| 168 | N | 76.9 | Confident | 66.1 | Low | 12 Ų | 12 | 67.5 Ų | 67.5 | 6% | 0.064 | 36% | 0.363 | C | S | . | . | S | Bend | trans | -70.8 | 156.9 | 178.1 | -80.6 | -16.4 | 0 | 0 | 0 | 111.3 | L164 G170 S325 | L164-N168 WeakPolarHBondContact O-CB 3.26Å; L164-N168 PolarHBondContact O-N 3.45Å; N168-G170 PolarHBondContact O-N 3.03Å; N168-S325 WeakPolarHBondContact ND2-CB 3.43Å; N168-S325 PolarHBondContact ND2-O 2.94Å; N168-S325 PolarHBondContact ND2-OG 2.89Å |
| 169 | K | 61.1 | Low | 62.8 | Low | 92 Ų | 92 | 69.4 Ų | 69.4 | 40% | 0.4 | 38% | 0.383 | S | S | . | . | trans | -66.8 | 123.2 | 162.3 | -65.9 | -168.9 | 173.9 | -156.4 | 0 | 105 | E171 D199 C203 R206 | K169-E171 PolarHBondContact O-N 3.21Å; K169-D199 IonicContact NZ-OD2 2.76Å; K169-D199 PolarHBondContact NZ-OD2 2.94Å; K169-C203 HydrophobicContact CB-CB 4.22Å; K169-R206 HydrophobicContact CG-CG 4.13Å | ||
| 170 | G | 48.8 | Very low | 59.6 | Low | 28 Ų | 28 | 73.3 Ų | 73.3 | 29% | 0.289 | 42% | 0.416 | S | S | . | . | B | Isolated β-bridge | trans | -62.8 | 91.7 | 173.3 | 0 | 0 | 0 | 0 | 0 | 108.7 | N168 | N168-G170 PolarHBondContact O-N 3.03Å |
| 171 | E | 43.2 | Very low | 56.4 | Low | 140 Ų | 140 | 78.3 Ų | 78.3 | 65% | 0.654 | 44% | 0.44 | S | S | * | . | trans | -86.2 | 113 | 149.5 | -78.7 | -178.4 | -176 | 0 | 0 | 104.9 | K169 I173 | K169-E171 PolarHBondContact O-N 3.21Å; E171-I173 PolarHBondContact O-N 2.85Å | ||
| 172 | L | 40.5 | Very low | 53.4 | Low | 67 Ų | 67 | 80.1 Ų | 80.1 | 35% | 0.351 | 45% | 0.452 | S | S | . | . | trans | -55.7 | 122.3 | 171.2 | -173.2 | 66.7 | 0 | 0 | 0 | 107 | L174 E330 | L172-L174 HydrophobicContact CD2-CD1 3.65Å; L172-L174 HydrophobicContact CD2-CD2 4.27Å; L172-L174 HydrophobicContact CD2-CG 3.68Å; L172-L174 HydrophobicContact CG-CD1 4.41Å; L172-L174 HydrophobicContact CG-CG 3.93Å; L172-L174 PolarHBondContact O-N 2.78Å; L172-E330 HydrophobicContact CD1-CG 3.68Å; L172-E330 HydrophobicContact CD2-CG 4.35Å; L172-E330 HydrophobicContact CG-CG 4.49Å | ||
| 173 | I | 42.2 | Very low | 50.5 | Low | 79 Ų | 79 | 87.8 Ų | 87.8 | 41% | 0.405 | 49% | 0.493 | S | S | . | . | trans | -73.7 | 72.8 | 176.3 | -55.5 | 163.3 | 0 | 0 | 0 | 107.3 | E171 A324 | E171-I173 PolarHBondContact O-N 2.85Å; I173-A324 HydrophobicContact CD1-CB 3.92Å | ||
| 174 | L | 37.8 | Very low | 47.4 | Very low | 133 Ų | 133 | 96.6 Ų | 96.6 | 70% | 0.696 | 53% | 0.534 | S | S | * | . | trans | -88.4 | 107.8 | 159.1 | -69.5 | 176.9 | 0 | 0 | 0 | 105.6 | L172 H176 | L172-L174 HydrophobicContact CD2-CD1 3.65Å; L172-L174 HydrophobicContact CD2-CD2 4.27Å; L172-L174 HydrophobicContact CD2-CG 3.68Å; L172-L174 HydrophobicContact CG-CD1 4.41Å; L172-L174 HydrophobicContact CG-CG 3.93Å; L172-L174 PolarHBondContact O-N 2.78Å; L174-H176 PolarHBondContact O-N 2.99Å | ||
| 175 | G | 29.7 | Very low | 44.8 | Very low | 65 Ų | 65 | 101.4 Ų | 101.4 | 67% | 0.67 | 56% | 0.558 | S | S | * | * | S | Bend | trans | -63.1 | 87.7 | 174.1 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||
| 176 | H | 27.2 | Very low | 42.1 | Very low | 168 Ų | 168 | 107 Ų | 107 | 78% | 0.778 | 59% | 0.592 | S | S | * | * | trans | -169 | 124.9 | 150.4 | -89.9 | -50.1 | 0 | 0 | 0 | 109 | L174 I178 | L174-H176 PolarHBondContact O-N 2.99Å; H176-I178 PolarHBondContact O-N 2.77Å | ||
| 177 | P | 28.1 | Very low | 39 | Very low | 123 Ų | 123 | 113.1 Ų | 113.1 | 80% | 0.799 | 63% | 0.629 | S | S | * | * | trans | -71 | 105.9 | 173.8 | 29.4 | -30 | 0 | 0 | 0 | 108 | ||||
| 178 | I | 31.3 | Very low | 36.4 | Very low | 151 Ų | 151 | 118.7 Ų | 118.7 | 77% | 0.774 | 66% | 0.662 | S | S | * | * | trans | -85.5 | 117.7 | 161.5 | -59.5 | -179.1 | 0 | 0 | 0 | 106.2 | H176 C180 | H176-I178 PolarHBondContact O-N 2.77Å; I178-C180 PolarHBondContact O-N 3.46Å | ||
| 179 | P | 29.7 | Very low | 34 | Very low | 100 Ų | 100 | 129.5 Ų | 129.5 | 65% | 0.649 | 70% | 0.703 | S | S | * | * | trans | -62.5 | 133.2 | 177.4 | -14.6 | 27.6 | 0 | 0 | 0 | 109.8 | L181 | P179-L181 PolarHBondContact O-N 2.87Š| ||
| 180 | C | 29.4 | Very low | 32.4 | Very low | 139 Ų | 139 | 132.1 Ų | 132.1 | 94% | 0.939 | 72% | 0.719 | S | S | * | * | S | Bend | trans | -67.4 | 35.4 | 174.5 | -71.3 | 0 | 0 | 0 | 0 | 114.5 | I178 | I178-C180 PolarHBondContact O-N 3.46Š|
| 181 | L | 27.4 | Very low | 31.4 | Very low | 148 Ų | 148 | 137 Ų | 137 | 78% | 0.775 | 74% | 0.743 | S | S | * | * | trans | -116.9 | 94.2 | 171.5 | -89 | 125.6 | 0 | 0 | 0 | 108 | P179 | P179-L181 PolarHBondContact O-N 2.87Š| ||
| 182 | L | 26.9 | Very low | 30.7 | Very low | 167 Ų | 167 | 137.6 Ų | 137.6 | 87% | 0.874 | 75% | 0.75 | S | S | * | * | trans | 144.8 | 86.5 | 155.1 | -79.6 | 158.6 | 0 | 0 | 0 | 109.5 | ||||
| 183 | L | 31.7 | Very low | 30 | Very low | 172 Ų | 172 | 146.8 Ų | 146.8 | 90% | 0.901 | 78% | 0.78 | S | S | * | * | trans | -165.8 | 62.3 | 150.3 | -103.4 | 149.3 | 0 | 0 | 0 | 109.4 | ||||
| 184 | E | 29.8 | Very low | 29.2 | Very low | 186 Ų | 186 | 147 Ų | 147 | 87% | 0.869 | 79% | 0.785 | S | S | * | * | trans | -90 | 114.4 | 142.7 | -74 | -170.8 | 161 | 0 | 0 | 106.1 | ||||
| 185 | I | 36.5 | Very low | 28.8 | Very low | 150 Ų | 150 | 143.9 Ų | 143.9 | 77% | 0.769 | 77% | 0.774 | S | S | * | * | trans | 164.6 | 102.3 | 146.3 | -79.5 | 152.8 | 0 | 0 | 0 | 109.7 | ||||
| 186 | V | 29.1 | Very low | 28.8 | Very low | 125 Ų | 125 | 148 Ų | 148 | 76% | 0.758 | 77% | 0.774 | S | S | * | * | 35.6 | 137.4 | 129.9 | -163.5 | 0 | 0 | 0 | 0 | 120.9 | |||||
| 187 | V | 26.9 | Very low | 29.1 | Very low | 131 Ų | 131 | 144.4 Ų | 144.4 | 79% | 0.794 | 76% | 0.764 | S | S | * | * | trans | 85.1 | 106.1 | 170 | -154.8 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 188 | V | 29.5 | Very low | 29.7 | Very low | 116 Ų | 116 | 141.9 Ų | 141.9 | 70% | 0.703 | 75% | 0.746 | S | S | * | * | -151.5 | 109.5 | 66.8 | 173.1 | 0 | 0 | 0 | 0 | 110.4 | I190 | V188-I190 HydrophobicContact CG1-CB 4.45Š| |||
| 189 | R | 26.5 | Very low | 30.3 | Very low | 240 Ų | 240 | 137 Ų | 137 | 91% | 0.906 | 72% | 0.721 | S | S | * | * | trans | -77 | 119.9 | 142 | -92.9 | 177.8 | 169.6 | -172.4 | -2.4 | 105 | ||||
| 190 | I | 28.4 | Very low | 30.7 | Very low | 146 Ų | 146 | 142 Ų | 142 | 75% | 0.749 | 73% | 0.733 | S | S | * | * | S | Bend | trans | 159.8 | 117.9 | 153.2 | -83.5 | 153.6 | 0 | 0 | 0 | 107.7 | V188 | V188-I190 HydrophobicContact CG1-CB 4.45Š|
| 191 | V | 27.7 | Very low | 31.1 | Very low | 131 Ų | 131 | 141 Ų | 141 | 79% | 0.794 | 72% | 0.718 | S | S | * | * | S | Bend | trans | 67.5 | 88.4 | 164.7 | -172.5 | 0 | 0 | 0 | 0 | 116 | ||
| 192 | L | 27.9 | Very low | 31.9 | Very low | 153 Ų | 153 | 136.3 Ų | 136.3 | 80% | 0.801 | 71% | 0.705 | S | S | * | * | trans | -171.9 | 96 | 135.2 | -95.4 | 161.6 | 0 | 0 | 0 | 107.1 | T194 | L192-T194 WeakPolarHBondContact CD2-OG1 3.49Å; L192-T194 PolarHBondContact O-N 2.94Å | ||
| 193 | R | 26.3 | Very low | 32.8 | Very low | 260 Ų | 260 | 128.9 Ų | 128.9 | 98% | 0.981 | 67% | 0.667 | S | S | * | * | trans | -93.4 | 43.7 | 179 | -140 | -175.9 | -165.1 | -167 | 3.6 | 109.6 | ||||
| 194 | T | 26.7 | Very low | 33.8 | Very low | 82 Ų | 82 | 122.1 Ų | 122.1 | 50% | 0.503 | 63% | 0.632 | S | S | . | * | S | Bend | trans | -116.3 | 100.3 | -178.8 | 17.4 | 0 | 0 | 0 | 0 | 109.2 | L192 F196 | L192-T194 WeakPolarHBondContact CD2-OG1 3.49Å; L192-T194 PolarHBondContact O-N 2.94Å; T194-F196 VanDerWaalsContact O-CD2 3.24Å; T194-F196 WeakPolarHBondContact O-CD2 3.36Å; T194-F196 PolarHBondContact O-N 2.86Å |
| 195 | C | 27.5 | Very low | 35.5 | Very low | 69 Ų | 69 | 114.7 Ų | 114.7 | 47% | 0.466 | 60% | 0.602 | S | S | . | * | trans | 32.5 | 55.6 | 140.4 | -71.3 | 0 | 0 | 0 | 0 | 119.4 | D335 | C195-D335 HydrophobicContact CB-CB 4.17Å; C195-D335 WeakPolarHBondContact CB-OD2 3.43Å | ||
| 196 | F | 30.1 | Very low | 37.7 | Very low | 152 Ų | 152 | 109.4 Ų | 109.4 | 67% | 0.667 | 57% | 0.573 | S | S | * | * | trans | -130.2 | 99.8 | 158.8 | -64.6 | -77 | 0 | 0 | 0 | 109.7 | T194 V198 | T194-F196 VanDerWaalsContact O-CD2 3.24Å; T194-F196 WeakPolarHBondContact O-CD2 3.36Å; T194-F196 PolarHBondContact O-N 2.86Å; F196-V198 HydrophobicContact CB-CG2 4.24Å; F196-V198 PolarHBondContact O-N 2.81Å | ||
| 197 | T | 34.1 | Very low | 40.5 | Very low | 92 Ų | 92 | 103.4 Ų | 103.4 | 56% | 0.564 | 54% | 0.537 | S | S | * | . | trans | -84.3 | 75.3 | 154.3 | 31.5 | 0 | 0 | 0 | 0 | 108 | R143 | R143-T197 PolarHBondContact NE-OG1 3.06Å; R143-T197 PolarHBondContact NH1-OG1 3.11Å; R143-T197 PolarHBondContact NH2-O 3.24Å; R143-T197 PolarHBondContact NH2-OG1 2.83Å | ||
| 198 | V | 41 | Very low | 43.6 | Very low | 70 Ų | 70 | 97.8 Ų | 97.8 | 42% | 0.424 | 50% | 0.501 | S | S | . | . | B | Isolated β-bridge | trans | -65.8 | 140.8 | 145.4 | -95.3 | 0 | 0 | 0 | 0 | 107.2 | F196 G202 C203 | F196-V198 HydrophobicContact CB-CG2 4.24Å; F196-V198 PolarHBondContact O-N 2.81Å; V198-G202 WeakPolarHBondContact CG1-O 3.37Å; V198-C203 WeakPolarHBondContact CA-O 3.42Å |
| 199 | D | 43 | Very low | 46.7 | Very low | 47 Ų | 47 | 92.2 Ų | 92.2 | 25% | 0.251 | 47% | 0.468 | S | S | . | . | trans | -62 | 170 | 167.7 | 77.8 | 9.2 | 0 | 0 | 0 | 109.3 | K169 N201 G202 C203 | K169-D199 IonicContact NZ-OD2 2.76Å; K169-D199 PolarHBondContact NZ-OD2 2.94Å; D199-N201 PolarHBondContact O-N 2.88Å; D199-N201 WeakPolarHBondContact OD1-CB 3.33Å; D199-N201 PolarHBondContact OD1-N 3.14Å; D199-G202 PolarHBondContact O-N 3.03Å; D199-C203 PolarHBondContact N-O 2.87Å; D199-C203 WeakPolarHBondContact OD1-CB 3.46Å; D199-C203 PolarHBondContact OD1-N 3.14Å | ||
| 200 | K | 38.4 | Very low | 50.1 | Low | 206 Ų | 206 | 80.8 Ų | 80.8 | 90% | 0.896 | 43% | 0.425 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.4 | -8.9 | -178.4 | 54.6 | 173.9 | -179.9 | 174.7 | 0 | 115 | ||
| 201 | N | 38.4 | Very low | 53.4 | Low | 117 Ų | 117 | 73.9 Ų | 73.9 | 63% | 0.626 | 39% | 0.389 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -109.1 | 8.2 | 178.7 | -58 | -12.3 | 0 | 0 | 0 | 113.4 | D199 | D199-N201 PolarHBondContact O-N 2.88Å; D199-N201 WeakPolarHBondContact OD1-CB 3.33Å; D199-N201 PolarHBondContact OD1-N 3.14Å |
| 202 | G | 42.8 | Very low | 56.8 | Low | 50 Ų | 50 | 67.7 Ų | 67.7 | 52% | 0.515 | 35% | 0.352 | S | S | . | . | S | Bend | trans | 83.2 | 9.6 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | V198 D199 | V198-G202 WeakPolarHBondContact CG1-O 3.37Å; D199-G202 PolarHBondContact O-N 3.03Å |
| 203 | C | 46.8 | Very low | 60.2 | Low | 11 Ų | 11 | 60.4 Ų | 60.4 | 7% | 0.074 | 31% | 0.313 | C | S | . | . | P | Polyproline II helix | trans | -86.9 | 136.6 | -178.7 | -63.2 | 0 | 0 | 0 | 0 | 112.5 | K169 V198 D199 A205 | K169-C203 HydrophobicContact CB-CB 4.22Å; V198-C203 WeakPolarHBondContact CA-O 3.42Å; D199-C203 PolarHBondContact N-O 2.87Å; D199-C203 WeakPolarHBondContact OD1-CB 3.46Å; D199-C203 PolarHBondContact OD1-N 3.14Å; C203-A205 PolarHBondContact O-N 2.84Å |
| 204 | I | 53.8 | Low | 63.6 | Low | 30 Ų | 30 | 48 Ų | 48 | 15% | 0.154 | 27% | 0.267 | C | S | . | . | B | Isolated β-bridge | trans | -60.1 | 126.4 | 167 | -59.2 | 174.1 | 0 | 0 | 0 | 108.4 | I141 R206 P331 V333 | I141-I204 HydrophobicContact CD1-CG2 3.64Å; I204-R206 PolarHBondContact O-N 3.46Å; I204-P331 HydrophobicContact CD1-CG 3.65Å; I204-V333 HydrophobicContact CD1-CG2 3.9Å; I204-V333 HydrophobicContact CG1-CG2 4.42Å; I204-V333 HydrophobicContact CG2-CG2 4.23Å |
| 205 | A | 63.4 | Low | 67 | Low | 31 Ų | 31 | 44.5 Ų | 44.5 | 26% | 0.256 | 25% | 0.246 | S | C | . | . | P | Polyproline II helix | trans | -65.5 | 133.3 | -178.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | N148 C203 | N148-A205 WeakPolarHBondContact ND2-CB 3.28Å; N148-A205 PolarHBondContact ND2-O 3.4Å; C203-A205 PolarHBondContact O-N 2.84Å |
| 206 | R | 82.7 | Confident | 70.2 | Confident | 38 Ų | 38 | 41.6 Ų | 41.6 | 14% | 0.143 | 23% | 0.226 | C | C | . | . | P | Polyproline II helix | trans | -48.2 | 142.4 | -179.5 | -59.7 | -174.3 | 167.3 | 178.9 | 4.2 | 111.8 | A167 K169 I204 Q208 L315 N316 | A167-R206 WeakPolarHBondContact O-CB 3.3Å; A167-R206 WeakPolarHBondContact O-CD 3.44Å; A167-R206 WeakPolarHBondContact O-CG 3.12Å; A167-R206 PolarHBondContact O-NE 2.91Å; K169-R206 HydrophobicContact CG-CG 4.13Å; I204-R206 PolarHBondContact O-N 3.46Å; R206-Q208 PolarHBondContact O-NE2 3.15Å; R206-L315 VanDerWaalsContact NH1-CB 3.3Å; R206-L315 VanDerWaalsContact NH1-CD1 3.3Å; R206-N316 PolarHBondContact NH2-OD1 3.33Å |
| 207 | C | 89.8 | Confident | 73.3 | Confident | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 20% | 0.198 | C | C | . | . | P | Polyproline II helix | trans | -66.1 | 142.4 | 171.1 | -64.1 | 0 | 0 | 0 | 0 | 110.5 | N148 Y166 L210 S238 R309 | N148-C207 WeakPolarHBondContact O-CA 3.48Å; Y166-C207 WeakPolarHBondContact O-CB 3.28Å; Y166-C207 PolarHBondContact O-N 2.88Å; Y166-C207 PolarHBondContact O-SG 3.46Å; C207-L210 HydrophobicContact CB-CD2 3.93Å; C207-S238 PolarHBondContact O-OG 3.38Å; C207-R309 PolarHBondContact O-NH1 2.92Å; C207-R309 PolarHBondContact O-NH2 3.41Å |
| 208 | Q | 90.9 | Very high | 76.1 | Confident | 12 Ų | 12 | 32.6 Ų | 32.6 | 6% | 0.056 | 18% | 0.184 | C | C | . | . | S | Bend | trans | -98.4 | -27.6 | 172.9 | -77.1 | 73.6 | 71.6 | 0 | 0 | 111.6 | A147 N148 R206 Y239 K285 V305 | A147-Q208 HydrophobicContact CB-CB 4.04Å; N148-Q208 VanDerWaalsContact N-OE1 3.1Å; N148-Q208 PolarHBondContact O-N 3.5Å; R206-Q208 PolarHBondContact O-NE2 3.15Å; Q208-Y239 PolarHBondContact O-N 3.26Å; Q208-K285 HydrophobicContact CG-CB 4.29Å; Q208-K285 HydrophobicContact CG-CD 4.01Å; Q208-K285 HydrophobicContact CG-CG 3.81Å; Q208-V305 HydrophobicContact CB-CG2 4.07Å; Q208-V305 HydrophobicContact CG-CB 4.31Å; Q208-V305 HydrophobicContact CG-CG1 4.16Å; Q208-V305 HydrophobicContact CG-CG2 4.24Å; Q208-V305 WeakPolarHBondContact O-CG2 3.49Å |
| 209 | L | 95.1 | Very high | 78.4 | Confident | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 134.4 | -176.8 | 175.5 | 64.1 | 0 | 0 | 0 | 108 | I5 I149 G150 V211 Y239 A241 | I5-L209 HydrophobicContact CD1-CD1 4.49Å; I5-L209 HydrophobicContact CD1-CD2 4.37Å; I5-L209 HydrophobicContact CG2-CD2 4.38Å; I149-L209 CarbonylContact C-O 3.43Å; I149-L209 VanDerWaalsContact CA-O 3.29Å; I149-L209 WeakPolarHBondContact CA-O 3.09Å; I149-L209 HydrophobicContact CD1-CD2 4.25Å; I149-L209 HydrophobicContact CG1-CB 4.4Å; I149-L209 HydrophobicContact CG1-CD2 4.27Å; I149-L209 HydrophobicContact CG2-CB 4.49Å; I149-L209 HydrophobicContact CG2-CD2 4.28Å; I149-L209 HydrophobicContact CG2-CG 4.27Å; G150-L209 PolarHBondContact N-O 3.24Å; L209-V211 HydrophobicContact CD1-CG2 4.38Å; L209-V211 HydrophobicContact CD2-CG2 3.81Å; L209-V211 HydrophobicContact CG-CG2 3.78Å; L209-Y239 CarbonylContact C-O 3.58Å; L209-Y239 WeakPolarHBondContact CA-O 3.36Å; L209-A241 HydrophobicContact CD1-CB 4.03Å |
| 210 | L | 97.4 | Very high | 80.8 | Confident | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 127.7 | 169.2 | -53.7 | -179.8 | 0 | 0 | 0 | 108 | G150 A163 Y166 C207 Y212 T236 Y239 V240 A241 | G150-L210 WeakPolarHBondContact O-CA 3.07Å; A163-L210 HydrophobicContact CB-CD1 3.78Å; Y166-L210 HydrophobicContact CD2-CD2 4Å; Y166-L210 HydrophobicContact CG-CD2 4.13Å; C207-L210 HydrophobicContact CB-CD2 3.93Å; L210-Y212 HydrophobicContact CB-CE2 3.69Å; L210-T236 HydrophobicContact CD1-CG2 4.04Å; L210-Y239 PolarHBondContact N-O 3.09Å; L210-V240 HydrophobicContact CB-CG2 4.3Å; L210-V240 HydrophobicContact CD1-CG2 4.39Å; L210-V240 CarbonylContact O-C 3.54Å; L210-V240 WeakPolarHBondContact O-CA 3.46Å; L210-A241 PolarHBondContact O-N 2.89Å |
| 211 | V | 98.7 | Very high | 83.5 | Confident | 0 Ų | 0 | 20.6 Ų | 20.6 | 0% | 0 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 131 | -177.4 | 179.4 | 0 | 0 | 0 | 0 | 109.6 | I39 I82 I149 G150 L151 G152 L209 A241 | I39-V211 HydrophobicContact CB-CG1 4.43Å; I39-V211 HydrophobicContact CG1-CG1 3.99Å; I39-V211 HydrophobicContact CG2-CG1 3.54Å; I82-V211 HydrophobicContact CD1-CB 4.12Å; I82-V211 HydrophobicContact CD1-CG1 4.01Å; I82-V211 HydrophobicContact CD1-CG2 3.86Å; I82-V211 HydrophobicContact CG2-CG1 4.18Å; I149-V211 HydrophobicContact CG2-CB 4.16Å; I149-V211 HydrophobicContact CG2-CG2 3.49Å; I149-V211 VanDerWaalsContact CG2-CG2 3.49Å; G150-V211 PolarHBondContact O-N 3.38Å; L151-V211 HydrophobicContact CD1-CB 4.28Å; G152-V211 PolarHBondContact N-O 3.01Å; L209-V211 HydrophobicContact CD1-CG2 4.38Å; L209-V211 HydrophobicContact CD2-CG2 3.81Å; L209-V211 HydrophobicContact CG-CG2 3.78Å; V211-A241 CarbonylContact C-O 3.57Å; V211-A241 WeakPolarHBondContact CA-O 3.4Å; V211-A241 HydrophobicContact CG2-CB 4.29Å |
| 212 | Y | 98.8 | Very high | 86.1 | Confident | 1 Ų | 1 | 19.8 Ų | 19.8 | 0% | 0.004 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 92.2 | 177.2 | -56.4 | -95.5 | 0 | 0 | 0 | 111.1 | G152 D156 V157 L210 S214 V240 A241 M242 C243 | G152-Y212 VanDerWaalsContact O-CA 3.31Å; G152-Y212 WeakPolarHBondContact O-CA 3.49Å; D156-Y212 HydrophobicContact CB-CE1 4.42Å; V157-Y212 HydrophobicContact CB-CD1 3.82Å; V157-Y212 HydrophobicContact CB-CE1 3.94Å; V157-Y212 HydrophobicContact CB-CG 4.22Å; V157-Y212 HydrophobicContact CG2-CD1 4.18Å; V157-Y212 HydrophobicContact CG2-CD2 4.22Å; V157-Y212 HydrophobicContact CG2-CE1 4.13Å; V157-Y212 HydrophobicContact CG2-CE2 4.16Å; V157-Y212 HydrophobicContact CG2-CG 4.23Å; L210-Y212 HydrophobicContact CB-CE2 3.69Å; Y212-S214 WeakPolarHBondContact CB-OG 3.16Å; Y212-S214 PolarHBondContact O-N 3.45Å; Y212-S214 PolarHBondContact O-OG 3.45Å; Y212-V240 HydrophobicContact CD2-CG1 4.11Å; Y212-V240 HydrophobicContact CE2-CG1 4.12Å; Y212-A241 PolarHBondContact N-O 2.77Å; Y212-M242 HydrophobicContact CD2-CG 4.41Å; Y212-M242 WeakPolarHBondContact O-CA 3.19Å; Y212-C243 PolarHBondContact O-N 2.78Å |
| 213 | P | 98.8 | Very high | 88.5 | Confident | 0 Ų | 0 | 22.8 Ų | 22.8 | 0% | 0 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -56.5 | 125.1 | 159.4 | -19.7 | 35.2 | 0 | 0 | 0 | 108.1 | E42 I82 T85 G152 I153 C154 C243 | E42-P213 HydrophobicContact CB-CB 4.4Å; I82-P213 HydrophobicContact CG2-CG 4.39Å; T85-P213 HydrophobicContact CG2-CB 4.21Å; G152-P213 WeakPolarHBondContact O-CD 3.48Å; I153-P213 CarbonylContact C-O 3.54Å; I153-P213 WeakPolarHBondContact CA-O 3.46Å; C154-P213 PolarHBondContact N-O 3.21Å; P213-C243 CarbonylContact C-O 3.59Å; P213-C243 WeakPolarHBondContact CA-O 3.26Å |
| 214 | S | 98.4 | Very high | 90.9 | Very high | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 14% | 0.139 | C | C | . | . | trans | -150.1 | 130.2 | -166.1 | -55.1 | 0 | 0 | 0 | 0 | 113.1 | C154 Y212 C243 S244 P245 | C154-S214 WeakPolarHBondContact CA-OG 3.38Å; C154-S214 PolarHBondContact N-OG 3.38Å; Y212-S214 WeakPolarHBondContact CB-OG 3.16Å; Y212-S214 PolarHBondContact O-N 3.45Å; Y212-S214 PolarHBondContact O-OG 3.45Å; S214-C243 PolarHBondContact N-O 2.82Å; S214-S244 WeakPolarHBondContact O-CA 3.42Å; S214-S244 PolarHBondContact O-OG 3.12Å; S214-P245 WeakPolarHBondContact O-CD 3.3Å | ||
| 215 | A | 96.8 | Very high | 93 | Very high | 9 Ų | 9 | 23.9 Ų | 23.9 | 7% | 0.074 | 13% | 0.132 | C | C | . | . | trans | -115.1 | 72.8 | 171.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | E42 F48 P245 | E42-A215 HydrophobicContact CB-CB 4.18Å; E42-A215 HydrophobicContact CG-CB 4.49Å; E42-A215 WeakPolarHBondContact OE2-CB 3.39Å; E42-A215 PolarHBondContact OE2-N 2.92Å; F48-A215 HydrophobicContact CD2-CB 4.3Å; A215-P245 HydrophobicContact CB-CG 4.06Å | ||
| 216 | F | 96 | Very high | 94.7 | Very high | 7 Ų | 7 | 25.4 Ų | 25.4 | 3% | 0.031 | 14% | 0.135 | C | C | . | . | trans | -67.1 | 143.4 | 175.2 | -85.7 | 36.3 | 0 | 0 | 0 | 110.3 | V157 R158 H224 W225 L228 M242 A255 Y256 | V157-F216 HydrophobicContact CG1-CE1 4.13Å; V157-F216 HydrophobicContact CG1-CZ 3.64Å; R158-F216 VanDerWaalsContact NH2-CE2 3.34Å; F216-H224 HydrophobicContact CE2-CB 4.24Å; F216-W225 HydrophobicContact CB-CE3 3.88Å; F216-W225 HydrophobicContact CB-CZ3 4.1Å; F216-W225 HydrophobicContact CD1-CE3 4.01Å; F216-W225 AromaticContact CD1-CZ3 3.94Å; F216-W225 HydrophobicContact CD1-CZ3 3.94Å; F216-W225 AromaticContact CD2-CE3 3.82Å; F216-W225 HydrophobicContact CD2-CE3 3.82Å; F216-W225 HydrophobicContact CE2-CE3 4.31Å; F216-W225 AromaticContact CG-CE3 3.64Å; F216-W225 HydrophobicContact CG-CE3 3.64Å; F216-W225 AromaticContact CG-CZ3 3.96Å; F216-W225 HydrophobicContact CG-CZ3 3.96Å; F216-L228 HydrophobicContact CE2-CD1 4.09Å; F216-L228 HydrophobicContact CZ-CD1 4.07Å; F216-M242 HydrophobicContact CE1-CE 4.36Å; F216-M242 HydrophobicContact CZ-CE 4.36Å; F216-A255 CarbonylContact O-C 3.54Å; F216-A255 WeakPolarHBondContact O-CA 3.25Å; F216-Y256 WeakPolarHBondContact O-CB 3.36Å; F216-Y256 PolarHBondContact O-N 3.21Å | ||
| 217 | S | 93.3 | Very high | 95.4 | Very high | 12 Ų | 12 | 28.4 Ų | 28.4 | 8% | 0.084 | 15% | 0.153 | C | C | . | . | B | Isolated β-bridge | trans | -70.9 | 156.6 | 169.7 | 66.9 | 0 | 0 | 0 | 0 | 111.2 | T219 T220 G221 | S217-T219 PolarHBondContact O-N 3.33Å; S217-T219 VanDerWaalsContact O-N 3.15Å; S217-T220 PolarHBondContact N-OG1 3.01Å; S217-T220 PolarHBondContact O-N 3.12Å; S217-T220 VanDerWaalsContact O-N 3.1Å; S217-T220 PolarHBondContact O-OG1 2.64Å; S217-T220 PolarHBondContact OG-N 3.49Å; S217-T220 PolarHBondContact OG-OG1 2.62Å; S217-G221 WeakPolarHBondContact O-CA 3.42Å; S217-G221 PolarHBondContact O-N 2.93Å |
| 218 | V | 93.7 | Very high | 95.8 | Very high | 44 Ų | 44 | 29.4 Ų | 29.4 | 27% | 0.267 | 16% | 0.158 | S | C | . | . | H | α-helix | trans | -52.3 | -39 | 175.1 | 178.5 | 0 | 0 | 0 | 0 | 112.4 | N222 V254 | V218-N222 WeakPolarHBondContact O-CB 3.38Å; V218-N222 PolarHBondContact O-N 2.86Å; V218-N222 PolarHBondContact O-ND2 3.15Å; V218-V254 HydrophobicContact CG2-CB 4.27Å; V218-V254 HydrophobicContact CG2-CG1 3.83Å; V218-V254 PolarHBondContact N-O 2.83Å |
| 219 | T | 90.3 | Very high | 96.1 | Very high | 60 Ų | 60 | 28.8 Ų | 28.8 | 37% | 0.368 | 16% | 0.156 | S | C | . | . | H | α-helix | trans | -63.2 | -48 | 177.7 | -50.9 | 0 | 0 | 0 | 0 | 112.7 | K124 S217 | K124-T219 HydrophobicContact CD-CG2 4.09Å; S217-T219 PolarHBondContact O-N 3.33Å; S217-T219 VanDerWaalsContact O-N 3.15Å |
| 220 | T | 92 | Very high | 96.3 | Very high | 10 Ų | 10 | 35 Ų | 35 | 6% | 0.061 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -83.4 | -30.3 | -175.4 | 56.5 | 0 | 0 | 0 | 0 | 112.4 | S217 L223 H224 | S217-T220 PolarHBondContact N-OG1 3.01Å; S217-T220 PolarHBondContact O-N 3.12Å; S217-T220 VanDerWaalsContact O-N 3.1Å; S217-T220 PolarHBondContact O-OG1 2.64Å; S217-T220 PolarHBondContact OG-N 3.49Å; S217-T220 PolarHBondContact OG-OG1 2.62Å; T220-L223 PolarHBondContact O-N 3.22Å; T220-H224 VanDerWaalsContact O-CB 3.32Å; T220-H224 WeakPolarHBondContact O-CB 3.4Å; T220-H224 PolarHBondContact O-N 2.96Å |
| 221 | G | 94.9 | Very high | 96.3 | Very high | 1 Ų | 1 | 36.7 Ų | 36.7 | 1% | 0.01 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -60 | -53.9 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | S217 L223 H224 W225 | S217-G221 WeakPolarHBondContact O-CA 3.42Å; S217-G221 PolarHBondContact O-N 2.93Å; G221-L223 PolarHBondContact O-N 2.85Å; G221-L223 VanDerWaalsContact O-N 3.07Å; G221-H224 PolarHBondContact O-N 3.44Å; G221-W225 WeakPolarHBondContact O-CB 3.36Å; G221-W225 PolarHBondContact O-N 3.22Å |
| 222 | N | 93.7 | Very high | 96.3 | Very high | 100 Ų | 100 | 37.3 Ų | 37.3 | 54% | 0.535 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -54.4 | -31.4 | 179 | -84.5 | -39.3 | 0 | 0 | 0 | 114 | V218 Y256 | V218-N222 WeakPolarHBondContact O-CB 3.38Å; V218-N222 PolarHBondContact O-N 2.86Å; V218-N222 PolarHBondContact O-ND2 3.15Å; N222-Y256 HydrophobicContact CB-CE2 4.39Å; N222-Y256 WeakPolarHBondContact OD1-CE2 3.23Å; N222-Y256 PolarHBondContact OD1-OH 2.96Å |
| 223 | L | 93.9 | Very high | 96.1 | Very high | 112 Ų | 112 | 37.3 Ų | 37.3 | 59% | 0.586 | 19% | 0.193 | S | C | * | . | H | α-helix | trans | -93.8 | -38.6 | -177.3 | -62.6 | 175.6 | 0 | 0 | 0 | 112.9 | T220 G221 | T220-L223 PolarHBondContact O-N 3.22Å; G221-L223 PolarHBondContact O-N 2.85Å; G221-L223 VanDerWaalsContact O-N 3.07Å |
| 224 | H | 96.7 | Very high | 96 | Very high | 64 Ų | 64 | 40.4 Ų | 40.4 | 30% | 0.296 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -121.5 | -16.8 | -161.2 | -58 | 138.4 | 0 | 0 | 0 | 114.6 | R158 F216 T220 G221 L227 L228 | R158-H224 PolarHBondContact NH1-ND1 3.1Å; R158-H224 VanDerWaalsContact NH1-ND1 3.17Å; R158-H224 PolarHBondContact NH2-ND1 3.24Å; F216-H224 HydrophobicContact CE2-CB 4.24Å; T220-H224 VanDerWaalsContact O-CB 3.32Å; T220-H224 WeakPolarHBondContact O-CB 3.4Å; T220-H224 PolarHBondContact O-N 2.96Å; G221-H224 PolarHBondContact O-N 3.44Å; H224-L227 PolarHBondContact O-N 2.87Å; H224-L228 HydrophobicContact CB-CD1 3.78Å; H224-L228 HydrophobicContact CB-CG 4.23Å; H224-L228 VanDerWaalsContact O-CB 3.26Å; H224-L228 WeakPolarHBondContact O-CB 3.35Å; H224-L228 WeakPolarHBondContact O-CG 3.28Å; H224-L228 PolarHBondContact O-N 3.43Å |
| 225 | W | 98.1 | Very high | 95.7 | Very high | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -59.4 | -59.6 | -173.2 | -177.6 | -97.5 | 0 | 0 | 0 | 112.3 | F216 G221 L227 S229 M242 Y256 Y258 | F216-W225 HydrophobicContact CB-CE3 3.88Å; F216-W225 HydrophobicContact CB-CZ3 4.1Å; F216-W225 HydrophobicContact CD1-CE3 4.01Å; F216-W225 AromaticContact CD1-CZ3 3.94Å; F216-W225 HydrophobicContact CD1-CZ3 3.94Å; F216-W225 AromaticContact CD2-CE3 3.82Å; F216-W225 HydrophobicContact CD2-CE3 3.82Å; F216-W225 HydrophobicContact CE2-CE3 4.31Å; F216-W225 AromaticContact CG-CE3 3.64Å; F216-W225 HydrophobicContact CG-CE3 3.64Å; F216-W225 AromaticContact CG-CZ3 3.96Å; F216-W225 HydrophobicContact CG-CZ3 3.96Å; G221-W225 WeakPolarHBondContact O-CB 3.36Å; G221-W225 PolarHBondContact O-N 3.22Å; W225-L227 VanDerWaalsContact C-N 3.35Å; W225-L227 PolarHBondContact O-N 3.38Å; W225-S229 WeakPolarHBondContact O-CB 3.02Å; W225-S229 PolarHBondContact O-N 2.67Å; W225-S229 VanDerWaalsContact O-N 3.09Å; W225-S229 PolarHBondContact O-OG 3.23Å; W225-M242 HydrophobicContact CD2-CE 4.07Å; W225-M242 HydrophobicContact CD2-SD 4.49Å; W225-M242 HydrophobicContact CE3-CE 3.64Å; W225-M242 HydrophobicContact CH2-CB 3.67Å; W225-M242 HydrophobicContact CH2-CE 3.9Å; W225-M242 HydrophobicContact CZ2-CB 3.41Å; W225-M242 VanDerWaalsContact CZ2-CB 3.41Å; W225-M242 HydrophobicContact CZ2-CE 4.28Å; W225-M242 HydrophobicContact CZ3-CE 3.57Å; W225-Y256 HydrophobicContact CB-CD1 3.97Å; W225-Y256 HydrophobicContact CB-CE1 3.71Å; W225-Y256 HydrophobicContact CD2-CD1 4.22Å; W225-Y256 AromaticContact CG-CD1 3.97Å; W225-Y256 HydrophobicContact CG-CD1 3.97Å; W225-Y256 AromaticContact CG-CE1 3.89Å; W225-Y256 HydrophobicContact CG-CE1 3.89Å; W225-Y258 PolarHBondContact NE1-O 3.08Å |
| 226 | M | 97.5 | Very high | 95.5 | Very high | 64 Ų | 64 | 43 Ų | 43 | 32% | 0.315 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -70.1 | -31.6 | -180 | -67.2 | -51.9 | -57.3 | 0 | 0 | 113.1 | S229 R230 T260 T268 | M226-S229 WeakPolarHBondContact CA-OG 3.44Å; M226-S229 PolarHBondContact O-OG 3.25Å; M226-R230 WeakPolarHBondContact O-CB 3.31Å; M226-R230 WeakPolarHBondContact O-CD 3.33Å; M226-R230 WeakPolarHBondContact O-CG 3.4Å; M226-R230 PolarHBondContact O-N 3.36Å; M226-T260 HydrophobicContact CE-CG2 4.03Å; M226-T260 HydrophobicContact SD-CG2 4.07Å; M226-T268 HydrophobicContact CE-CG2 4.09Å; M226-T268 WeakPolarHBondContact CE-OG1 3.19Å |
| 227 | L | 98.2 | Very high | 95.3 | Very high | 101 Ų | 101 | 42.8 Ų | 42.8 | 53% | 0.529 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -63.2 | -53.9 | 176.3 | 174.9 | 61.5 | 0 | 0 | 0 | 110.2 | H224 W225 R230 S231 | H224-L227 PolarHBondContact O-N 2.87Å; W225-L227 VanDerWaalsContact C-N 3.35Å; W225-L227 PolarHBondContact O-N 3.38Å; L227-R230 PolarHBondContact O-N 3.41Å; L227-S231 WeakPolarHBondContact O-CB 3.37Å; L227-S231 PolarHBondContact O-N 3.36Å; L227-S231 PolarHBondContact O-OG 3.47Å |
| 228 | L | 98.6 | Very high | 95.3 | Very high | 20 Ų | 20 | 42.2 Ų | 42.2 | 11% | 0.105 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -67.5 | -42.4 | -175.7 | -66.9 | 170.8 | 0 | 0 | 0 | 111.7 | V157 R158 F216 H224 R230 S231 R232 | V157-L228 HydrophobicContact CG1-CB 4.18Å; V157-L228 HydrophobicContact CG1-CD1 3.86Å; V157-L228 HydrophobicContact CG2-CB 4.22Å; R158-L228 HydrophobicContact CG-CD1 3.75Å; F216-L228 HydrophobicContact CE2-CD1 4.09Å; F216-L228 HydrophobicContact CZ-CD1 4.07Å; H224-L228 HydrophobicContact CB-CD1 3.78Å; H224-L228 HydrophobicContact CB-CG 4.23Å; H224-L228 VanDerWaalsContact O-CB 3.26Å; H224-L228 WeakPolarHBondContact O-CB 3.35Å; H224-L228 WeakPolarHBondContact O-CG 3.28Å; H224-L228 PolarHBondContact O-N 3.43Å; L228-R230 VanDerWaalsContact C-N 3.33Å; L228-R230 PolarHBondContact O-N 2.86Å; L228-S231 PolarHBondContact O-N 3.22Å; L228-R232 VanDerWaalsContact O-CG 3.27Å; L228-R232 WeakPolarHBondContact O-CG 3.28Å; L228-R232 PolarHBondContact O-N 3.49Å |
| 229 | S | 98.1 | Very high | 95.4 | Very high | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -58.2 | -46.1 | 178.1 | 64.2 | 0 | 0 | 0 | 0 | 111.8 | W225 M226 A233 M242 | W225-S229 WeakPolarHBondContact O-CB 3.02Å; W225-S229 PolarHBondContact O-N 2.67Å; W225-S229 VanDerWaalsContact O-N 3.09Å; W225-S229 PolarHBondContact O-OG 3.23Å; M226-S229 WeakPolarHBondContact CA-OG 3.44Å; M226-S229 PolarHBondContact O-OG 3.25Å; S229-A233 WeakPolarHBondContact O-CB 3.48Å; S229-A233 PolarHBondContact O-N 2.83Å; S229-A233 VanDerWaalsContact O-N 3.14Å; S229-M242 VanDerWaalsContact CB-SD 3.52Å |
| 230 | R | 98.4 | Very high | 95.8 | Very high | 131 Ų | 131 | 37.4 Ų | 37.4 | 49% | 0.494 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -69.8 | -41.9 | 179.2 | -64.9 | 175.9 | 69.5 | -159.8 | -1.8 | 112.9 | M226 L227 L228 A233 V234 V262 G266 | M226-R230 WeakPolarHBondContact O-CB 3.31Å; M226-R230 WeakPolarHBondContact O-CD 3.33Å; M226-R230 WeakPolarHBondContact O-CG 3.4Å; M226-R230 PolarHBondContact O-N 3.36Å; L227-R230 PolarHBondContact O-N 3.41Å; L228-R230 VanDerWaalsContact C-N 3.33Å; L228-R230 PolarHBondContact O-N 2.86Å; R230-A233 PolarHBondContact O-N 2.83Å; R230-V234 PolarHBondContact O-N 2.94Å; R230-V262 HydrophobicContact CG-CG1 3.99Å; R230-V262 HydrophobicContact CG-CG2 4.2Å; R230-G266 PolarHBondContact NE-O 3.02Å; R230-G266 PolarHBondContact NH2-O 3.37Å |
| 231 | S | 98 | Very high | 96.1 | Very high | 34 Ų | 34 | 37 Ų | 37 | 24% | 0.238 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -59.3 | -47.5 | 175.3 | -67.1 | 0 | 0 | 0 | 0 | 111.4 | L227 L228 A233 V234 D235 | L227-S231 WeakPolarHBondContact O-CB 3.37Å; L227-S231 PolarHBondContact O-N 3.36Å; L227-S231 PolarHBondContact O-OG 3.47Å; L228-S231 PolarHBondContact O-N 3.22Å; S231-A233 VanDerWaalsContact C-N 3.28Å; S231-A233 PolarHBondContact O-N 2.92Å; S231-V234 WeakPolarHBondContact O-CG1 3.19Å; S231-V234 PolarHBondContact O-N 3.17Å; S231-D235 VanDerWaalsContact O-CB 3.28Å; S231-D235 WeakPolarHBondContact O-CB 3.29Å; S231-D235 PolarHBondContact O-N 3.37Å |
| 232 | R | 97.3 | Very high | 96.3 | Very high | 14 Ų | 14 | 36.9 Ų | 36.9 | 5% | 0.053 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -62.7 | -36.8 | 178.2 | -63.1 | -62.3 | 163.1 | -87.8 | -7.9 | 112.1 | V157 R158 A163 L228 D235 T236 V240 | V157-R232 HydrophobicContact CG2-CG 3.86Å; V157-R232 PolarHBondContact O-NE 2.93Å; V157-R232 PolarHBondContact O-NH2 2.89Å; R158-R232 PolarHBondContact O-NH2 3.02Å; A163-R232 HydrophobicContact CB-CG 4.46Å; L228-R232 VanDerWaalsContact O-CG 3.27Å; L228-R232 WeakPolarHBondContact O-CG 3.28Å; L228-R232 PolarHBondContact O-N 3.49Å; R232-D235 IonicContact NH1-OD2 3.53Å; R232-T236 WeakPolarHBondContact O-CB 3.5Å; R232-T236 VanDerWaalsContact O-CG2 3.29Å; R232-T236 WeakPolarHBondContact O-CG2 3.44Å; R232-T236 PolarHBondContact O-N 2.74Å; R232-T236 PolarHBondContact O-OG1 3.15Å; R232-V240 HydrophobicContact CB-CG2 3.82Å |
| 233 | A | 96.1 | Very high | 96.5 | Very high | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -67.6 | -47.5 | -179.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | S229 R230 S231 L237 S238 V240 V262 D263 | S229-A233 WeakPolarHBondContact O-CB 3.48Å; S229-A233 PolarHBondContact O-N 2.83Å; S229-A233 VanDerWaalsContact O-N 3.14Å; R230-A233 PolarHBondContact O-N 2.83Å; S231-A233 VanDerWaalsContact C-N 3.28Å; S231-A233 PolarHBondContact O-N 2.92Å; A233-L237 VanDerWaalsContact O-CA 3.29Å; A233-L237 WeakPolarHBondContact O-CA 2.98Å; A233-L237 PolarHBondContact O-N 2.96Å; A233-S238 WeakPolarHBondContact CA-O 3.48Å; A233-S238 WeakPolarHBondContact CB-O 3.32Å; A233-S238 PolarHBondContact O-N 3.09Å; A233-V240 HydrophobicContact CB-CB 4.17Å; A233-V240 HydrophobicContact CB-CG2 3.69Å; A233-V262 HydrophobicContact CB-CB 4.02Å; A233-V262 HydrophobicContact CB-CG1 3.7Å; A233-D263 VanDerWaalsContact CB-O 3.27Å; A233-D263 WeakPolarHBondContact CB-O 3.3Å |
| 234 | V | 94.9 | Very high | 96.8 | Very high | 65 Ų | 65 | 26.8 Ų | 26.8 | 39% | 0.394 | 13% | 0.133 | S | C | . | . | H | α-helix | trans | -71.3 | -40.3 | -178.4 | 76.4 | 0 | 0 | 0 | 0 | 112.5 | R230 S231 T236 L237 | R230-V234 PolarHBondContact O-N 2.94Å; S231-V234 WeakPolarHBondContact O-CG1 3.19Å; S231-V234 PolarHBondContact O-N 3.17Å; V234-T236 VanDerWaalsContact C-N 3.25Å; V234-T236 PolarHBondContact O-N 3.15Å; V234-L237 WeakPolarHBondContact O-CD2 3.47Å; V234-L237 PolarHBondContact O-N 2.78Å |
| 235 | D | 92.6 | Very high | 96.9 | Very high | 63 Ų | 63 | 24.2 Ų | 24.2 | 34% | 0.337 | 12% | 0.122 | S | C | . | . | H | α-helix | trans | -67 | -29.8 | -179 | -68.6 | -19.9 | 0 | 0 | 0 | 111.9 | L164 S231 R232 | L164-D235 HydrophobicContact CD2-CB 4.34Å; S231-D235 VanDerWaalsContact O-CB 3.28Å; S231-D235 WeakPolarHBondContact O-CB 3.29Å; S231-D235 PolarHBondContact O-N 3.37Å; R232-D235 IonicContact NH1-OD2 3.53Å |
| 236 | T | 92.5 | Very high | 96.9 | Very high | 0 Ų | 0 | 24.3 Ų | 24.3 | 0% | 0 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -104.1 | -8.6 | -176.1 | 66.2 | 0 | 0 | 0 | 0 | 114 | A163 L164 A167 L210 R232 V234 S238 R309 | A163-T236 HydrophobicContact CB-CG2 3.81Å; A163-T236 WeakPolarHBondContact O-CG2 3.37Å; L164-T236 HydrophobicContact CD2-CG2 4.4Å; A167-T236 VanDerWaalsContact CB-CB 3.49Å; A167-T236 HydrophobicContact CB-CG2 3.76Å; L210-T236 HydrophobicContact CD1-CG2 4.04Å; R232-T236 WeakPolarHBondContact O-CB 3.5Å; R232-T236 VanDerWaalsContact O-CG2 3.29Å; R232-T236 WeakPolarHBondContact O-CG2 3.44Å; R232-T236 PolarHBondContact O-N 2.74Å; R232-T236 PolarHBondContact O-OG1 3.15Å; V234-T236 VanDerWaalsContact C-N 3.25Å; V234-T236 PolarHBondContact O-N 3.15Å; T236-S238 PolarHBondContact O-N 2.78Å; T236-S238 PolarHBondContact O-OG 3.41Å; T236-S238 VanDerWaalsContact OG1-CB 3.31Å; T236-S238 WeakPolarHBondContact OG1-CB 3.35Å; T236-S238 PolarHBondContact OG1-N 2.84Å; T236-S238 PolarHBondContact OG1-OG 3.36Å; T236-R309 PolarHBondContact O-NH2 3.08Å |
| 237 | L | 92.1 | Very high | 96.9 | Very high | 4 Ų | 4 | 23.3 Ų | 23.3 | 2% | 0.021 | 12% | 0.115 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 45.3 | 49.6 | -169.7 | -57.8 | 173.2 | 0 | 0 | 0 | 110.9 | A233 V234 R309 I312 L314 | A233-L237 VanDerWaalsContact O-CA 3.29Å; A233-L237 WeakPolarHBondContact O-CA 2.98Å; A233-L237 PolarHBondContact O-N 2.96Å; V234-L237 WeakPolarHBondContact O-CD2 3.47Å; V234-L237 PolarHBondContact O-N 2.78Å; L237-R309 HydrophobicContact CB-CG 3.68Å; L237-R309 HydrophobicContact CD1-CG 3.95Å; L237-R309 HydrophobicContact CG-CG 4.49Å; L237-R309 PolarHBondContact O-NE 3.45Å; L237-I312 WeakPolarHBondContact CD1-O 3.4Å; L237-L314 HydrophobicContact CD1-CB 4.16Å |
| 238 | S | 93.1 | Very high | 96.9 | Very high | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 10% | 0.098 | C | C | . | . | S | Bend | trans | -131.9 | 156.9 | -178.8 | -51.5 | 0 | 0 | 0 | 0 | 109.2 | C207 A233 T236 R309 | C207-S238 PolarHBondContact O-OG 3.38Å; A233-S238 WeakPolarHBondContact CA-O 3.48Å; A233-S238 WeakPolarHBondContact CB-O 3.32Å; A233-S238 PolarHBondContact O-N 3.09Å; T236-S238 PolarHBondContact O-N 2.78Å; T236-S238 PolarHBondContact O-OG 3.41Å; T236-S238 VanDerWaalsContact OG1-CB 3.31Å; T236-S238 WeakPolarHBondContact OG1-CB 3.35Å; T236-S238 PolarHBondContact OG1-N 2.84Å; T236-S238 PolarHBondContact OG1-OG 3.36Å; S238-R309 PolarHBondContact OG-NH2 3.32Å |
| 239 | Y | 96.6 | Very high | 96.7 | Very high | 3 Ų | 3 | 25.5 Ų | 25.5 | 1% | 0.012 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.1 | 146.5 | 166.3 | -71.1 | -93.9 | 0 | 0 | 0 | 109.8 | Q208 L209 L210 V261 V262 D263 P264 I269 I283 C284 D303 V305 | Q208-Y239 PolarHBondContact O-N 3.26Å; L209-Y239 CarbonylContact C-O 3.58Å; L209-Y239 WeakPolarHBondContact CA-O 3.36Å; L210-Y239 PolarHBondContact N-O 3.09Å; Y239-V261 HydrophobicContact CD1-CG1 4.46Å; Y239-V262 CarbonylContact C-O 3.47Å; Y239-V262 VanDerWaalsContact CA-O 3.25Å; Y239-V262 WeakPolarHBondContact CA-O 3.46Å; Y239-D263 HydrophobicContact CD1-CB 4.15Å; Y239-D263 HydrophobicContact CE1-CB 3.82Å; Y239-P264 HydrophobicContact CD2-CG 4.03Å; Y239-P264 HydrophobicContact CE2-CG 4.05Å; Y239-I269 HydrophobicContact CD1-CD1 4.01Å; Y239-I269 HydrophobicContact CE1-CD1 3.7Å; Y239-I283 HydrophobicContact CD1-CD1 3.6Å; Y239-I283 HydrophobicContact CD2-CD1 4.49Å; Y239-I283 HydrophobicContact CD2-CG2 3.68Å; Y239-I283 HydrophobicContact CE1-CD1 3.99Å; Y239-I283 HydrophobicContact CE2-CG2 3.87Å; Y239-I283 HydrophobicContact CG-CD1 3.87Å; Y239-I283 HydrophobicContact CG-CG2 4.08Å; Y239-C284 PolarHBondContact OH-N 2.87Å; Y239-D303 PolarHBondContact OH-O 2.86Å; Y239-V305 HydrophobicContact CD2-CG2 3.72Å; Y239-V305 HydrophobicContact CE2-CG2 3.89Å |
| 240 | V | 98.3 | Very high | 96.5 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 123.1 | 172.9 | 175.1 | 0 | 0 | 0 | 0 | 108.9 | L210 Y212 R232 A233 M242 V261 V262 | L210-V240 HydrophobicContact CB-CG2 4.3Å; L210-V240 HydrophobicContact CD1-CG2 4.39Å; L210-V240 CarbonylContact O-C 3.54Å; L210-V240 WeakPolarHBondContact O-CA 3.46Å; Y212-V240 HydrophobicContact CD2-CG1 4.11Å; Y212-V240 HydrophobicContact CE2-CG1 4.12Å; R232-V240 HydrophobicContact CB-CG2 3.82Å; A233-V240 HydrophobicContact CB-CB 4.17Å; A233-V240 HydrophobicContact CB-CG2 3.69Å; V240-M242 HydrophobicContact CG1-CG 4.11Å; V240-V261 CarbonylContact O-C 3.59Å; V240-V261 WeakPolarHBondContact O-CA 3.44Å; V240-V262 PolarHBondContact N-O 3.45Å; V240-V262 PolarHBondContact O-N 2.83Å |
| 241 | A | 98.8 | Very high | 96.2 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 121.7 | 174.7 | 0 | 0 | 0 | 0 | 0 | 109.2 | I5 L7 L209 L210 V211 Y212 T260 V261 | I5-A241 HydrophobicContact CD1-CB 4.09Å; L7-A241 HydrophobicContact CD2-CB 4.03Å; L209-A241 HydrophobicContact CD1-CB 4.03Å; L210-A241 PolarHBondContact O-N 2.89Å; V211-A241 CarbonylContact C-O 3.57Å; V211-A241 WeakPolarHBondContact CA-O 3.4Å; V211-A241 HydrophobicContact CG2-CB 4.29Å; Y212-A241 PolarHBondContact N-O 2.77Å; A241-T260 WeakPolarHBondContact CA-O 3.46Å; A241-V261 HydrophobicContact CB-CG2 4.36Å |
| 242 | M | 98.8 | Very high | 95.7 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 115.8 | 174.6 | -61.9 | -172.4 | 64.5 | 0 | 0 | 109.1 | L7 V157 Y212 F216 W225 S229 V240 S259 T260 | L7-M242 VanDerWaalsContact CD2-C 3.49Å; L7-M242 WeakPolarHBondContact CD2-O 3.5Å; V157-M242 HydrophobicContact CB-CE 4.38Å; V157-M242 HydrophobicContact CG1-CE 3.98Å; V157-M242 HydrophobicContact CG2-CE 4.24Å; V157-M242 HydrophobicContact CG2-SD 4.17Å; Y212-M242 HydrophobicContact CD2-CG 4.41Å; Y212-M242 WeakPolarHBondContact O-CA 3.19Å; F216-M242 HydrophobicContact CE1-CE 4.36Å; F216-M242 HydrophobicContact CZ-CE 4.36Å; W225-M242 HydrophobicContact CD2-CE 4.07Å; W225-M242 HydrophobicContact CD2-SD 4.49Å; W225-M242 HydrophobicContact CE3-CE 3.64Å; W225-M242 HydrophobicContact CH2-CB 3.67Å; W225-M242 HydrophobicContact CH2-CE 3.9Å; W225-M242 HydrophobicContact CZ2-CB 3.41Å; W225-M242 VanDerWaalsContact CZ2-CB 3.41Å; W225-M242 HydrophobicContact CZ2-CE 4.28Å; W225-M242 HydrophobicContact CZ3-CE 3.57Å; S229-M242 VanDerWaalsContact CB-SD 3.52Å; V240-M242 HydrophobicContact CG1-CG 4.11Å; M242-S259 CarbonylContact O-C 3.58Å; M242-S259 VanDerWaalsContact O-CA 3.25Å; M242-S259 WeakPolarHBondContact O-CA 3.44Å; M242-T260 PolarHBondContact N-O 2.82Å; M242-T260 PolarHBondContact O-N 2.94Å |
| 243 | C | 98.9 | Very high | 95.4 | Very high | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 120.5 | -177.3 | -171.5 | 0 | 0 | 0 | 0 | 110.2 | L7 I39 L40 Y212 P213 S214 | L7-C243 HydrophobicContact CB-CB 4.13Å; L7-C243 HydrophobicContact CD2-CB 3.87Å; L7-C243 HydrophobicContact CG-CB 4.31Å; I39-C243 HydrophobicContact CB-CB 4.47Å; I39-C243 HydrophobicContact CG2-CB 3.69Å; I39-C243 PolarHBondContact O-SG 3.3Å; I39-C243 VanDerWaalsContact O-SG 3.41Å; L40-C243 VanDerWaalsContact C-SG 3.52Å; Y212-C243 PolarHBondContact O-N 2.78Å; P213-C243 CarbonylContact C-O 3.59Å; P213-C243 WeakPolarHBondContact CA-O 3.26Å; S214-C243 PolarHBondContact N-O 2.82Å |
| 244 | S | 98.7 | Very high | 95.3 | Very high | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 19% | 0.187 | C | C | . | . | trans | -115 | 148 | -174 | -164.9 | 0 | 0 | 0 | 0 | 111.6 | Q9 S214 G257 S259 | Q9-S244 WeakPolarHBondContact CA-O 3.31Å; Q9-S244 VanDerWaalsContact CG-O 3.29Å; Q9-S244 WeakPolarHBondContact CG-O 3.35Å; S214-S244 WeakPolarHBondContact O-CA 3.42Å; S214-S244 PolarHBondContact O-OG 3.12Å; S244-G257 WeakPolarHBondContact CB-O 3.32Å; S244-G257 PolarHBondContact OG-N 2.86Å; S244-G257 PolarHBondContact OG-O 2.88Å; S244-G257 VanDerWaalsContact OG-O 3.05Å; S244-S259 PolarHBondContact N-OG 3.15Å; S244-S259 PolarHBondContact O-OG 3.27Å | ||
| 245 | P | 98.7 | Very high | 95.4 | Very high | 9 Ų | 9 | 31.1 Ų | 31.1 | 6% | 0.058 | 17% | 0.172 | C | C | . | . | P | Polyproline II helix | trans | -60.4 | 152 | 163.3 | -18.3 | 32 | 0 | 0 | 0 | 110.4 | M10 V12 P41 E42 S214 A215 A255 G257 | M10-P245 WeakPolarHBondContact O-CA 3.4Å; V12-P245 HydrophobicContact CG2-CB 4.04Å; P41-P245 HydrophobicContact CB-CG 3.91Å; P41-P245 VanDerWaalsContact CB-N 3.32Å; P41-P245 HydrophobicContact CG-CG 4.3Å; E42-P245 WeakPolarHBondContact O-CG 3.12Å; S214-P245 WeakPolarHBondContact O-CD 3.3Å; A215-P245 HydrophobicContact CB-CG 4.06Å; P245-A255 HydrophobicContact CB-CB 4.06Å; P245-A255 HydrophobicContact CG-CB 4.34Å; P245-G257 WeakPolarHBondContact O-CA 3.4Å |
| 246 | A | 98.6 | Very high | 95.6 | Very high | 2 Ų | 2 | 29.1 Ų | 29.1 | 2% | 0.017 | 16% | 0.16 | C | C | . | . | P | Polyproline II helix | trans | -64.9 | 153.4 | 168 | 0 | 0 | 0 | 0 | 0 | 110.1 | Q9 M10 L11 N248 E276 | Q9-A246 HydrophobicContact CG-CB 3.98Å; M10-A246 PolarHBondContact O-N 2.83Å; L11-A246 HydrophobicContact CB-CB 4.37Å; L11-A246 HydrophobicContact CD1-CB 4.47Å; A246-N248 PolarHBondContact O-N 2.77Å; A246-E276 HydrophobicContact CB-CB 4.16Å |
| 247 | R | 97.8 | Very high | 95.9 | Very high | 44 Ų | 44 | 29.1 Ų | 29.1 | 17% | 0.166 | 16% | 0.16 | C | C | . | . | P | Polyproline II helix | trans | -65.8 | 126.5 | 179.1 | -173.3 | 169.7 | -58.8 | 154.3 | 14.7 | 110.3 | E249 V254 A255 Y256 E274 | R247-E249 WeakPolarHBondContact CD-OE1 3.32Å; R247-V254 HydrophobicContact CG-CG1 3.54Å; R247-A255 WeakPolarHBondContact CG-O 3.22Å; R247-A255 PolarHBondContact NE-O 2.89Å; R247-Y256 PolarHBondContact NH2-O 2.69Å; R247-E274 HydrophobicContact CB-CB 4.06Å; R247-E274 IonicContact CZ-OE1 3.01Å; R247-E274 IonicContact CZ-OE2 2.74Å; R247-E274 PolarHBondContact N-O 2.79Å; R247-E274 IonicContact NE-OE2 3.72Å; R247-E274 IonicContact NH1-OE1 3.66Å; R247-E274 PolarHBondContact NH1-OE1 3.45Å; R247-E274 IonicContact NH1-OE2 3.3Å; R247-E274 PolarHBondContact NH1-OE2 3.17Å; R247-E274 IonicContact NH2-OE2 2.61Å; R247-E274 PolarHBondContact NH2-OE2 2.98Å |
| 248 | N | 97.1 | Very high | 96.2 | Very high | 32 Ų | 32 | 32.5 Ų | 32.5 | 17% | 0.171 | 17% | 0.173 | C | C | . | . | trans | -120.5 | 101.6 | 171.8 | -175.6 | -3.7 | 0 | 0 | 0 | 109 | L11 V12 A246 A250 A251 | L11-N248 HydrophobicContact CD1-CB 3.69Å; V12-N248 PolarHBondContact O-ND2 3.2Å; A246-N248 PolarHBondContact O-N 2.77Å; N248-A250 PolarHBondContact O-N 3.3Å; N248-A250 WeakPolarHBondContact OD1-CB 2.97Å; N248-A250 PolarHBondContact OD1-N 3.47Å; N248-A251 HydrophobicContact CB-CB 4.03Å; N248-A251 WeakPolarHBondContact O-CB 3.46Å; N248-A251 PolarHBondContact O-N 2.92Å | ||
| 249 | E | 95.6 | Very high | 96.4 | Very high | 135 Ų | 135 | 32.5 Ų | 32.5 | 63% | 0.631 | 17% | 0.173 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -65.3 | -18 | 179.8 | -63.1 | -67.4 | 175.2 | 0 | 0 | 113.1 | R247 | R247-E249 WeakPolarHBondContact CD-OE1 3.32Š|
| 250 | A | 93.8 | Very high | 96.5 | Very high | 93 Ų | 93 | 32.4 Ų | 32.4 | 77% | 0.769 | 17% | 0.173 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -85.8 | -8.9 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113 | N248 | N248-A250 PolarHBondContact O-N 3.3Å; N248-A250 WeakPolarHBondContact OD1-CB 2.97Å; N248-A250 PolarHBondContact OD1-N 3.47Å |
| 251 | A | 92.3 | Very high | 96.6 | Very high | 27 Ų | 27 | 32.4 Ų | 32.4 | 22% | 0.223 | 17% | 0.173 | C | C | . | . | S | Bend | trans | -77.4 | 143.6 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | N248 T253 V254 | N248-A251 HydrophobicContact CB-CB 4.03Å; N248-A251 WeakPolarHBondContact O-CB 3.46Å; N248-A251 PolarHBondContact O-N 2.92Å; A251-T253 VanDerWaalsContact C-N 3.28Å; A251-T253 PolarHBondContact O-N 3.48Å; A251-V254 WeakPolarHBondContact O-CG2 3.18Å |
| 252 | K | 87.9 | Confident | 96.5 | Very high | 160 Ų | 160 | 32.4 Ų | 32.4 | 70% | 0.696 | 17% | 0.173 | S | C | * | . | S | Bend | trans | -58.3 | -41.5 | 174.5 | -176.7 | -172.1 | 174.2 | -174.5 | 0 | 112.1 | E51 | E51-K252 WeakPolarHBondContact OE1-CD 3.46Å; E51-K252 WeakPolarHBondContact OE1-CE 3.11Å; E51-K252 IonicContact OE1-NZ 3.28Å; E51-K252 PolarHBondContact OE1-NZ 2.99Å; E51-K252 IonicContact OE2-NZ 4Å |
| 253 | T | 89.3 | Confident | 96.3 | Very high | 37 Ų | 37 | 32.7 Ų | 32.7 | 23% | 0.227 | 18% | 0.175 | C | C | . | . | S | Bend | trans | -108.9 | 103 | 171.4 | -54.2 | 0 | 0 | 0 | 0 | 108.7 | F48 A251 A255 | F48-T253 HydrophobicContact CD1-CG2 3.84Å; F48-T253 HydrophobicContact CE1-CG2 4.45Å; A251-T253 VanDerWaalsContact C-N 3.28Å; A251-T253 PolarHBondContact O-N 3.48Å; T253-A255 PolarHBondContact O-N 3.12Å |
| 254 | V | 94.8 | Very high | 96.1 | Very high | 33 Ų | 33 | 32.7 Ų | 32.7 | 20% | 0.2 | 18% | 0.175 | C | C | . | . | trans | -77.3 | 115.8 | -178.1 | -175.8 | 0 | 0 | 0 | 0 | 110.2 | V218 R247 A251 | V218-V254 HydrophobicContact CG2-CB 4.27Å; V218-V254 HydrophobicContact CG2-CG1 3.83Å; V218-V254 PolarHBondContact N-O 2.83Å; R247-V254 HydrophobicContact CG-CG1 3.54Å; A251-V254 WeakPolarHBondContact O-CG2 3.18Å | ||
| 255 | A | 96.8 | Very high | 95.8 | Very high | 11 Ų | 11 | 36.7 Ų | 36.7 | 9% | 0.091 | 19% | 0.19 | C | C | . | . | B | Isolated β-bridge | trans | -67.9 | 144.9 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | F216 P245 R247 T253 | F216-A255 CarbonylContact O-C 3.54Å; F216-A255 WeakPolarHBondContact O-CA 3.25Å; P245-A255 HydrophobicContact CB-CB 4.06Å; P245-A255 HydrophobicContact CG-CB 4.34Å; R247-A255 WeakPolarHBondContact CG-O 3.22Å; R247-A255 PolarHBondContact NE-O 2.89Å; T253-A255 PolarHBondContact O-N 3.12Å |
| 256 | Y | 97.3 | Very high | 95.6 | Very high | 21 Ų | 21 | 36.4 Ų | 36.4 | 8% | 0.082 | 19% | 0.189 | C | C | . | . | trans | -68.5 | -36.7 | -179.6 | -177.9 | -127.9 | 0 | 0 | 0 | 112.5 | F216 N222 W225 R247 Y258 | F216-Y256 WeakPolarHBondContact O-CB 3.36Å; F216-Y256 PolarHBondContact O-N 3.21Å; N222-Y256 HydrophobicContact CB-CE2 4.39Å; N222-Y256 WeakPolarHBondContact OD1-CE2 3.23Å; N222-Y256 PolarHBondContact OD1-OH 2.96Å; W225-Y256 HydrophobicContact CB-CD1 3.97Å; W225-Y256 HydrophobicContact CB-CE1 3.71Å; W225-Y256 HydrophobicContact CD2-CD1 4.22Å; W225-Y256 AromaticContact CG-CD1 3.97Å; W225-Y256 HydrophobicContact CG-CD1 3.97Å; W225-Y256 AromaticContact CG-CE1 3.89Å; W225-Y256 HydrophobicContact CG-CE1 3.89Å; R247-Y256 PolarHBondContact NH2-O 2.69Å; Y256-Y258 AromaticContact CD1-CD2 3.74Å; Y256-Y258 HydrophobicContact CD1-CD2 3.74Å; Y256-Y258 HydrophobicContact CD1-CG 4.36Å; Y256-Y258 AromaticContact CD2-CD2 3.97Å; Y256-Y258 HydrophobicContact CD2-CD2 3.97Å; Y256-Y258 HydrophobicContact CD2-CE2 4.15Å; Y256-Y258 AromaticContact CE1-CD2 3.44Å; Y256-Y258 HydrophobicContact CE1-CD2 3.44Å; Y256-Y258 VanDerWaalsContact CE1-CD2 3.44Å; Y256-Y258 HydrophobicContact CE1-CE2 4.22Å; Y256-Y258 AromaticContact CE1-CG 3.91Å; Y256-Y258 HydrophobicContact CE1-CG 3.91Å; Y256-Y258 AromaticContact CE2-CD2 3.67Å; Y256-Y258 HydrophobicContact CE2-CD2 3.67Å; Y256-Y258 AromaticContact CE2-CE2 3.65Å; Y256-Y258 HydrophobicContact CE2-CE2 3.65Å; Y256-Y258 HydrophobicContact CG-CD2 4Å; Y256-Y258 AromaticContact CZ-CD2 3.41Å; Y256-Y258 VanDerWaalsContact CZ-CD2 3.41Å; Y256-Y258 AromaticContact CZ-CE2 3.7Å; Y256-Y258 VanDerWaalsContact O-CD2 3.27Å; Y256-Y258 WeakPolarHBondContact O-CD2 3.24Å | ||
| 257 | G | 97.8 | Very high | 95.5 | Very high | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 22% | 0.216 | C | C | . | . | trans | 81.8 | -142.1 | -166.8 | 0 | 0 | 0 | 0 | 0 | 112 | S244 P245 S259 | S244-G257 WeakPolarHBondContact CB-O 3.32Å; S244-G257 PolarHBondContact OG-N 2.86Å; S244-G257 PolarHBondContact OG-O 2.88Å; S244-G257 VanDerWaalsContact OG-O 3.05Å; P245-G257 WeakPolarHBondContact O-CA 3.4Å; G257-S259 PolarHBondContact O-N 3.34Å | ||
| 258 | Y | 98.6 | Very high | 95.4 | Very high | 75 Ų | 75 | 43.1 Ų | 43.1 | 29% | 0.294 | 22% | 0.223 | S | C | . | . | trans | 58.7 | 37.6 | 173.3 | -61 | -84.9 | 0 | 0 | 0 | 115.9 | Q9 W225 Y256 T260 A272 A273 E274 | Q9-Y258 VanDerWaalsContact OE1-N 3.11Å; W225-Y258 PolarHBondContact NE1-O 3.08Å; Y256-Y258 AromaticContact CD1-CD2 3.74Å; Y256-Y258 HydrophobicContact CD1-CD2 3.74Å; Y256-Y258 HydrophobicContact CD1-CG 4.36Å; Y256-Y258 AromaticContact CD2-CD2 3.97Å; Y256-Y258 HydrophobicContact CD2-CD2 3.97Å; Y256-Y258 HydrophobicContact CD2-CE2 4.15Å; Y256-Y258 AromaticContact CE1-CD2 3.44Å; Y256-Y258 HydrophobicContact CE1-CD2 3.44Å; Y256-Y258 VanDerWaalsContact CE1-CD2 3.44Å; Y256-Y258 HydrophobicContact CE1-CE2 4.22Å; Y256-Y258 AromaticContact CE1-CG 3.91Å; Y256-Y258 HydrophobicContact CE1-CG 3.91Å; Y256-Y258 AromaticContact CE2-CD2 3.67Å; Y256-Y258 HydrophobicContact CE2-CD2 3.67Å; Y256-Y258 AromaticContact CE2-CE2 3.65Å; Y256-Y258 HydrophobicContact CE2-CE2 3.65Å; Y256-Y258 HydrophobicContact CG-CD2 4Å; Y256-Y258 AromaticContact CZ-CD2 3.41Å; Y256-Y258 VanDerWaalsContact CZ-CD2 3.41Å; Y256-Y258 AromaticContact CZ-CE2 3.7Å; Y256-Y258 VanDerWaalsContact O-CD2 3.27Å; Y256-Y258 WeakPolarHBondContact O-CD2 3.24Å; Y258-T260 WeakPolarHBondContact O-CB 3.49Å; Y258-T260 PolarHBondContact O-N 2.91Å; Y258-T260 PolarHBondContact O-OG1 3.34Å; Y258-A272 WeakPolarHBondContact CD1-O 3.43Å; Y258-A273 WeakPolarHBondContact CA-O 3.35Å; Y258-A273 PolarHBondContact N-O 3.47Å; Y258-E274 HydrophobicContact CE2-CB 4.13Å; Y258-E274 PolarHBondContact OH-OE2 3.23Å | ||
| 259 | S | 98.9 | Very high | 95.4 | Very high | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 23% | 0.23 | C | C | . | . | trans | -43.2 | 132 | 170 | -66.7 | 0 | 0 | 0 | 0 | 110.6 | Q9 M242 S244 G257 A271 A272 | Q9-S259 VanDerWaalsContact OE1-CB 3.3Å; Q9-S259 PolarHBondContact OE1-OG 3.45Å; M242-S259 CarbonylContact O-C 3.58Å; M242-S259 VanDerWaalsContact O-CA 3.25Å; M242-S259 WeakPolarHBondContact O-CA 3.44Å; S244-S259 PolarHBondContact N-OG 3.15Å; S244-S259 PolarHBondContact O-OG 3.27Å; G257-S259 PolarHBondContact O-N 3.34Å; S259-A271 CarbonylContact O-C 3.59Å; S259-A271 VanDerWaalsContact O-CA 3.23Å; S259-A271 WeakPolarHBondContact O-CA 3.48Å; S259-A272 PolarHBondContact O-N 2.9Å | ||
| 260 | T | 98.8 | Very high | 95.5 | Very high | 1 Ų | 1 | 39 Ų | 39 | 1% | 0.006 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.3 | 143.7 | -163.9 | -77.5 | 0 | 0 | 0 | 0 | 111.7 | M226 A241 M242 Y258 V262 T268 A270 | M226-T260 HydrophobicContact CE-CG2 4.03Å; M226-T260 HydrophobicContact SD-CG2 4.07Å; A241-T260 WeakPolarHBondContact CA-O 3.46Å; M242-T260 PolarHBondContact N-O 2.82Å; M242-T260 PolarHBondContact O-N 2.94Å; Y258-T260 WeakPolarHBondContact O-CB 3.49Å; Y258-T260 PolarHBondContact O-N 2.91Å; Y258-T260 PolarHBondContact O-OG1 3.34Å; T260-V262 HydrophobicContact CG2-CG2 3.73Å; T260-T268 HydrophobicContact CG2-CG2 3.93Å; T260-A270 CarbonylContact C-O 3.56Å; T260-A270 WeakPolarHBondContact CA-O 3.15Å |
| 261 | V | 98.7 | Very high | 95.7 | Very high | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 129.3 | 167.3 | -170.5 | 0 | 0 | 0 | 0 | 109.8 | I5 L7 Y239 V240 A241 I269 A270 V279 A281 I283 | I5-V261 HydrophobicContact CD1-CG1 4.45Å; I5-V261 HydrophobicContact CD1-CG2 4.15Å; L7-V261 HydrophobicContact CD1-CG2 3.27Å; L7-V261 HydrophobicContact CD2-CG2 4.36Å; L7-V261 HydrophobicContact CG-CG2 4.48Å; Y239-V261 HydrophobicContact CD1-CG1 4.46Å; V240-V261 CarbonylContact O-C 3.59Å; V240-V261 WeakPolarHBondContact O-CA 3.44Å; A241-V261 HydrophobicContact CB-CG2 4.36Å; V261-I269 HydrophobicContact CB-CD1 4.43Å; V261-I269 HydrophobicContact CB-CG1 3.96Å; V261-I269 HydrophobicContact CG1-CD1 3.8Å; V261-I269 HydrophobicContact CG1-CG1 3.84Å; V261-I269 WeakPolarHBondContact O-CG1 3.32Å; V261-I269 PolarHBondContact O-N 3.25Å; V261-A270 HydrophobicContact CB-CB 4.32Å; V261-A270 HydrophobicContact CG2-CB 4.43Å; V261-A270 PolarHBondContact N-O 2.91Å; V261-A270 PolarHBondContact O-N 3.19Å; V261-V279 HydrophobicContact CG2-CG1 4.43Å; V261-A281 HydrophobicContact CB-CB 3.95Å; V261-A281 HydrophobicContact CG1-CB 3.88Å; V261-A281 HydrophobicContact CG2-CB 3.8Å; V261-I283 HydrophobicContact CG1-CD1 4.07Å |
| 262 | V | 97.6 | Very high | 96 | Very high | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 136.4 | 177.2 | -169.4 | 0 | 0 | 0 | 0 | 109.3 | R230 A233 Y239 V240 T260 G266 K267 | R230-V262 HydrophobicContact CG-CG1 3.99Å; R230-V262 HydrophobicContact CG-CG2 4.2Å; A233-V262 HydrophobicContact CB-CB 4.02Å; A233-V262 HydrophobicContact CB-CG1 3.7Å; Y239-V262 CarbonylContact C-O 3.47Å; Y239-V262 VanDerWaalsContact CA-O 3.25Å; Y239-V262 WeakPolarHBondContact CA-O 3.46Å; V240-V262 PolarHBondContact N-O 3.45Å; V240-V262 PolarHBondContact O-N 2.83Å; T260-V262 HydrophobicContact CG2-CG2 3.73Å; V262-G266 VanDerWaalsContact CG1-C 3.43Å; V262-K267 CarbonylContact C-O 3.52Å; V262-K267 WeakPolarHBondContact CA-O 3.02Å; V262-K267 WeakPolarHBondContact CG1-O 3.48Å |
| 263 | D | 95.3 | Very high | 96.5 | Very high | 7 Ų | 7 | 31.7 Ų | 31.7 | 4% | 0.037 | 18% | 0.177 | C | C | . | . | trans | -79.8 | 168.6 | 176 | 77.7 | 9.1 | 0 | 0 | 0 | 112.7 | A233 Y239 W265 G266 K267 I269 | A233-D263 VanDerWaalsContact CB-O 3.27Å; A233-D263 WeakPolarHBondContact CB-O 3.3Å; Y239-D263 HydrophobicContact CD1-CB 4.15Å; Y239-D263 HydrophobicContact CE1-CB 3.82Å; D263-W265 PolarHBondContact O-N 3.36Å; D263-W265 WeakPolarHBondContact OD1-CA 3.38Å; D263-W265 WeakPolarHBondContact OD1-CB 3.38Å; D263-W265 PolarHBondContact OD1-N 3.41Å; D263-G266 PolarHBondContact O-N 3.19Å; D263-G266 PolarHBondContact OD1-N 3.33Å; D263-K267 PolarHBondContact N-O 3.01Å; D263-K267 WeakPolarHBondContact OD1-CB 3.34Å; D263-K267 PolarHBondContact OD1-N 3.5Å; D263-K267 WeakPolarHBondContact OD2-CB 3.45Å; D263-I269 HydrophobicContact CB-CG2 3.85Å | ||
| 264 | P | 93.2 | Very high | 96.9 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 18% | 0.18 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.1 | -13.4 | 177.5 | -28.8 | 38.1 | 0 | 0 | 0 | 116.1 | Y239 D303 V305 A308 | Y239-P264 HydrophobicContact CD2-CG 4.03Å; Y239-P264 HydrophobicContact CE2-CG 4.05Å; P264-D303 WeakPolarHBondContact CD-O 3.49Å; P264-V305 HydrophobicContact CG-CG2 3.86Å; P264-A308 HydrophobicContact CB-CB 3.65Å |
| 265 | W | 93.2 | Very high | 97 | Very high | 83 Ų | 83 | 38.6 Ų | 38.6 | 31% | 0.314 | 20% | 0.204 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -97.7 | 4.9 | 177.5 | -62.6 | 91.4 | 0 | 0 | 0 | 112.7 | D263 K267 I302 A308 R311 I312 | D263-W265 PolarHBondContact O-N 3.36Å; D263-W265 WeakPolarHBondContact OD1-CA 3.38Å; D263-W265 WeakPolarHBondContact OD1-CB 3.38Å; D263-W265 PolarHBondContact OD1-N 3.41Å; W265-K267 VanDerWaalsContact C-N 3.29Å; W265-K267 PolarHBondContact O-N 3.47Å; W265-I302 HydrophobicContact CD2-CG2 4.04Å; W265-I302 HydrophobicContact CG-CG2 4.39Å; W265-I302 HydrophobicContact CH2-CG2 4.34Å; W265-I302 HydrophobicContact CZ2-CG2 3.5Å; W265-I302 VanDerWaalsContact NE1-C 3.34Å; W265-I302 PolarHBondContact NE1-O 2.85Å; W265-A308 HydrophobicContact CZ2-CB 3.95Å; W265-R311 HydrophobicContact CH2-CB 4.06Å; W265-R311 HydrophobicContact CZ2-CB 4.39Å; W265-I312 HydrophobicContact CE3-CD1 4.37Å; W265-I312 HydrophobicContact CH2-CD1 3.97Å; W265-I312 HydrophobicContact CH2-CG1 4.04Å; W265-I312 HydrophobicContact CZ3-CD1 3.43Å; W265-I312 VanDerWaalsContact CZ3-CD1 3.43Å; W265-I312 HydrophobicContact CZ3-CG1 4.03Å |
| 266 | G | 94.3 | Very high | 97.1 | Very high | 4 Ų | 4 | 41.1 Ų | 41.1 | 4% | 0.041 | 21% | 0.214 | C | C | . | . | S | Bend | trans | 75 | 18.5 | -178 | 0 | 0 | 0 | 0 | 0 | 112.9 | R230 V262 D263 | R230-G266 PolarHBondContact NE-O 3.02Å; R230-G266 PolarHBondContact NH2-O 3.37Å; V262-G266 VanDerWaalsContact CG1-C 3.43Å; D263-G266 PolarHBondContact O-N 3.19Å; D263-G266 PolarHBondContact OD1-N 3.33Å |
| 267 | K | 95.8 | Very high | 97.2 | Very high | 136 Ų | 136 | 43.9 Ų | 43.9 | 59% | 0.591 | 23% | 0.23 | S | C | * | . | trans | -89.9 | 130.2 | 172.5 | 177 | -172.3 | 174.9 | -170.6 | 0 | 109.5 | V262 D263 W265 I269 | V262-K267 CarbonylContact C-O 3.52Å; V262-K267 WeakPolarHBondContact CA-O 3.02Å; V262-K267 WeakPolarHBondContact CG1-O 3.48Å; D263-K267 PolarHBondContact N-O 3.01Å; D263-K267 WeakPolarHBondContact OD1-CB 3.34Å; D263-K267 PolarHBondContact OD1-N 3.5Å; D263-K267 WeakPolarHBondContact OD2-CB 3.45Å; W265-K267 VanDerWaalsContact C-N 3.29Å; W265-K267 PolarHBondContact O-N 3.47Å; K267-I269 PolarHBondContact O-N 3.3Å | ||
| 268 | T | 96.9 | Very high | 97.2 | Very high | 50 Ų | 50 | 44.2 Ų | 44.2 | 31% | 0.307 | 23% | 0.232 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.3 | 118.6 | 169.8 | -52 | 0 | 0 | 0 | 0 | 109.5 | M226 T260 A271 | M226-T268 HydrophobicContact CE-CG2 4.09Å; M226-T268 WeakPolarHBondContact CE-OG1 3.19Å; T260-T268 HydrophobicContact CG2-CG2 3.93Å; T268-A271 HydrophobicContact CG2-CB 4.08Å |
| 269 | I | 96.6 | Very high | 97.2 | Very high | 64 Ų | 64 | 41 Ų | 41 | 33% | 0.328 | 22% | 0.22 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -104 | -22.7 | -177.4 | 61.4 | 173.1 | 0 | 0 | 0 | 113 | Y239 V261 D263 K267 A281 | Y239-I269 HydrophobicContact CD1-CD1 4.01Å; Y239-I269 HydrophobicContact CE1-CD1 3.7Å; V261-I269 HydrophobicContact CB-CD1 4.43Å; V261-I269 HydrophobicContact CB-CG1 3.96Å; V261-I269 HydrophobicContact CG1-CD1 3.8Å; V261-I269 HydrophobicContact CG1-CG1 3.84Å; V261-I269 WeakPolarHBondContact O-CG1 3.32Å; V261-I269 PolarHBondContact O-N 3.25Å; D263-I269 HydrophobicContact CB-CG2 3.85Å; K267-I269 PolarHBondContact O-N 3.3Å; I269-A281 HydrophobicContact CD1-CB 4.16Å; I269-A281 HydrophobicContact CG1-CB 4.47Å |
| 270 | A | 97.7 | Very high | 97.2 | Very high | 17 Ų | 17 | 44.4 Ų | 44.4 | 14% | 0.14 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.9 | 139.2 | 175.2 | 0 | 0 | 0 | 0 | 0 | 109.4 | T260 V261 V279 Y280 A281 | T260-A270 CarbonylContact C-O 3.56Å; T260-A270 WeakPolarHBondContact CA-O 3.15Å; V261-A270 HydrophobicContact CB-CB 4.32Å; V261-A270 HydrophobicContact CG2-CB 4.43Å; V261-A270 PolarHBondContact N-O 2.91Å; V261-A270 PolarHBondContact O-N 3.19Å; A270-V279 HydrophobicContact CB-CG1 3.4Å; A270-Y280 VanDerWaalsContact CB-O 3.24Å; A270-Y280 WeakPolarHBondContact CB-O 3.33Å; A270-A281 HydrophobicContact CB-CB 4.06Å |
| 271 | A | 98.1 | Very high | 97.1 | Very high | 59 Ų | 59 | 44.7 Ų | 44.7 | 49% | 0.488 | 24% | 0.236 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.6 | 147.2 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | S259 T268 | S259-A271 CarbonylContact O-C 3.59Å; S259-A271 VanDerWaalsContact O-CA 3.23Å; S259-A271 WeakPolarHBondContact O-CA 3.48Å; T268-A271 HydrophobicContact CG2-CB 4.08Å |
| 272 | A | 98.2 | Very high | 97 | Very high | 9 Ų | 9 | 48.4 Ų | 48.4 | 7% | 0.074 | 26% | 0.256 | C | S | . | . | trans | -90 | 165.8 | 167 | 0 | 0 | 0 | 0 | 0 | 110.8 | Y258 S259 D277 V279 | Y258-A272 WeakPolarHBondContact CD1-O 3.43Å; S259-A272 PolarHBondContact O-N 2.9Å; A272-D277 HydrophobicContact CB-CB 4.33Å; A272-V279 HydrophobicContact CB-CG2 3.47Å; A272-V279 VanDerWaalsContact CB-CG2 3.47Å | ||
| 273 | A | 98.1 | Very high | 96.7 | Very high | 59 Ų | 59 | 48.5 Ų | 48.5 | 49% | 0.488 | 26% | 0.256 | S | S | . | . | trans | -77.9 | -152.2 | 159.1 | 0 | 0 | 0 | 0 | 0 | 110.1 | Q9 Y258 | Q9-A273 PolarHBondContact NE2-O 3.04Å; Y258-A273 WeakPolarHBondContact CA-O 3.35Å; Y258-A273 PolarHBondContact N-O 3.47Å | ||
| 274 | E | 97.9 | Very high | 96.2 | Very high | 65 Ų | 65 | 48.4 Ų | 48.4 | 30% | 0.304 | 26% | 0.256 | S | S | . | . | S | Bend | trans | -88.1 | -16.4 | 177.6 | 58.8 | -166.6 | -136.8 | 0 | 0 | 114.4 | R247 Y258 | R247-E274 HydrophobicContact CB-CB 4.06Å; R247-E274 IonicContact CZ-OE1 3.01Å; R247-E274 IonicContact CZ-OE2 2.74Å; R247-E274 PolarHBondContact N-O 2.79Å; R247-E274 IonicContact NE-OE2 3.72Å; R247-E274 IonicContact NH1-OE1 3.66Å; R247-E274 PolarHBondContact NH1-OE1 3.45Å; R247-E274 IonicContact NH1-OE2 3.3Å; R247-E274 PolarHBondContact NH1-OE2 3.17Å; R247-E274 IonicContact NH2-OE2 2.61Å; R247-E274 PolarHBondContact NH2-OE2 2.98Å; Y258-E274 HydrophobicContact CE2-CB 4.13Å; Y258-E274 PolarHBondContact OH-OE2 3.23Å |
| 275 | E | 98.3 | Very high | 95.2 | Very high | 149 Ų | 149 | 51.7 Ų | 51.7 | 70% | 0.696 | 27% | 0.27 | S | S | * | . | S | Bend | trans | -79.1 | 171.3 | -176.3 | -59.2 | -171.2 | -164.8 | 0 | 0 | 113.7 | Q9 D277 | Q9-E275 PolarHBondContact NE2-O 3.29Å; E275-D277 PolarHBondContact O-N 3.1Å |
| 276 | E | 98.6 | Very high | 93.8 | Very high | 64 Ų | 64 | 56 Ų | 56 | 30% | 0.299 | 29% | 0.286 | S | S | . | . | S | Bend | trans | -64.7 | 119.2 | 174.6 | 175.6 | 170.5 | 115.7 | 0 | 0 | 111 | Q9 L11 R22 R25 L26 A246 | Q9-E276 CarbonylContact O-C 3.57Å; Q9-E276 VanDerWaalsContact O-CA 3.24Å; Q9-E276 WeakPolarHBondContact O-CA 3.2Å; L11-E276 WeakPolarHBondContact CB-OE2 3.28Å; L11-E276 PolarHBondContact N-OE2 3.29Å; R22-E276 WeakPolarHBondContact CD-OE2 3.37Å; R22-E276 IonicContact NE-OE2 2.7Å; R22-E276 PolarHBondContact NE-OE2 3.19Å; R25-E276 IonicContact CZ-OE1 3.19Å; R25-E276 IonicContact NH1-OE1 3.06Å; R25-E276 IonicContact NH2-OE1 3.84Å; R25-E276 PolarHBondContact NH2-OE1 2.89Å; L26-E276 HydrophobicContact CD1-CG 4.09Å; A246-E276 HydrophobicContact CB-CB 4.16Å |
| 277 | D | 98.6 | Very high | 91.5 | Very high | 80 Ų | 80 | 58.8 Ų | 58.8 | 43% | 0.428 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.8 | 172.5 | -178.6 | -159.3 | 6.5 | 0 | 0 | 0 | 112 | Q9 A272 E275 | Q9-D277 CarbonylContact C-O 3.56Å; Q9-D277 WeakPolarHBondContact CA-O 3.39Å; Q9-D277 WeakPolarHBondContact CB-O 3.27Å; Q9-D277 PolarHBondContact N-O 3.36Å; Q9-D277 PolarHBondContact O-N 2.87Å; A272-D277 HydrophobicContact CB-CB 4.33Å; E275-D277 PolarHBondContact O-N 3.1Å |
| 278 | I | 98.8 | Very high | 88.9 | Confident | 7 Ų | 7 | 56 Ų | 56 | 4% | 0.036 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 118.2 | 172.3 | -53.5 | 169.4 | 0 | 0 | 0 | 108.8 | A6 L7 L26 K29 A30 Y280 | A6-I278 HydrophobicContact CB-CG2 3.89Å; L7-I278 WeakPolarHBondContact O-CA 3.47Å; L26-I278 HydrophobicContact CB-CD1 4.36Å; L26-I278 HydrophobicContact CD2-CD1 4.13Å; L26-I278 HydrophobicContact CD2-CG1 4.32Å; L26-I278 WeakPolarHBondContact O-CD1 3.42Å; K29-I278 HydrophobicContact CB-CD1 4.01Å; K29-I278 HydrophobicContact CD-CD1 3.89Å; K29-I278 HydrophobicContact CG-CD1 3.97Å; A30-I278 HydrophobicContact CB-CD1 4.23Å; A30-I278 HydrophobicContact CB-CG2 4.09Å; I278-Y280 HydrophobicContact CB-CE2 3.89Å; I278-Y280 HydrophobicContact CG2-CD1 4.28Å; I278-Y280 HydrophobicContact CG2-CD2 4.42Å; I278-Y280 HydrophobicContact CG2-CE1 3.61Å; I278-Y280 HydrophobicContact CG2-CE2 3.79Å; I278-Y280 WeakPolarHBondContact CG2-OH 3.38Å; I278-Y280 WeakPolarHBondContact O-CD2 3.43Å; I278-Y280 WeakPolarHBondContact O-CE2 3.43Å |
| 279 | V | 98.6 | Very high | 86.1 | Confident | 6 Ų | 6 | 58.3 Ų | 58.3 | 4% | 0.036 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 121.7 | 177.2 | -176.7 | 0 | 0 | 0 | 0 | 109.2 | A6 L7 V261 A270 A272 | A6-V279 CarbonylContact C-O 3.52Å; A6-V279 VanDerWaalsContact CA-O 3.31Å; A6-V279 WeakPolarHBondContact CA-O 3.4Å; L7-V279 HydrophobicContact CB-CB 4.2Å; L7-V279 HydrophobicContact CD1-CB 4.16Å; L7-V279 HydrophobicContact CD1-CG1 4.26Å; L7-V279 PolarHBondContact N-O 3.32Å; L7-V279 PolarHBondContact O-N 3.11Å; V261-V279 HydrophobicContact CG2-CG1 4.43Å; A270-V279 HydrophobicContact CB-CG1 3.4Å; A272-V279 HydrophobicContact CB-CG2 3.47Å; A272-V279 VanDerWaalsContact CB-CG2 3.47Å |
| 280 | Y | 98.5 | Very high | 83.2 | Confident | 73 Ų | 73 | 60.2 Ų | 60.2 | 29% | 0.286 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 140.2 | 175.8 | -56.5 | -82.2 | 0 | 0 | 0 | 110.6 | K4 I5 A6 A30 T33 A270 I278 | K4-Y280 HydrophobicContact CD-CD1 4.31Å; I5-Y280 WeakPolarHBondContact O-CA 3.35Å; A6-Y280 HydrophobicContact CB-CD1 3.79Å; A6-Y280 HydrophobicContact CB-CE1 3.77Å; A30-Y280 HydrophobicContact CB-CE1 4.33Å; T33-Y280 HydrophobicContact CG2-CE1 3.83Å; T33-Y280 HydrophobicContact CG2-CE2 4.45Å; T33-Y280 WeakPolarHBondContact CG2-OH 3.21Å; T33-Y280 WeakPolarHBondContact OG1-CD1 3.44Å; T33-Y280 WeakPolarHBondContact OG1-CE1 3.41Å; A270-Y280 VanDerWaalsContact CB-O 3.24Å; A270-Y280 WeakPolarHBondContact CB-O 3.33Å; I278-Y280 HydrophobicContact CB-CE2 3.89Å; I278-Y280 HydrophobicContact CG2-CD1 4.28Å; I278-Y280 HydrophobicContact CG2-CD2 4.42Å; I278-Y280 HydrophobicContact CG2-CE1 3.61Å; I278-Y280 HydrophobicContact CG2-CE2 3.79Å; I278-Y280 WeakPolarHBondContact CG2-OH 3.38Å; I278-Y280 WeakPolarHBondContact O-CD2 3.43Å; I278-Y280 WeakPolarHBondContact O-CE2 3.43Å |
| 281 | A | 97.3 | Very high | 80.1 | Confident | 7 Ų | 7 | 64.1 Ų | 64.1 | 6% | 0.058 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.2 | 143 | 172.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | K4 I5 V261 I269 A270 I283 | K4-A281 WeakPolarHBondContact CA-O 3.48Å; I5-A281 HydrophobicContact CG1-CB 4.11Å; I5-A281 PolarHBondContact N-O 3.29Å; I5-A281 PolarHBondContact O-N 2.84Å; I5-A281 VanDerWaalsContact O-N 3.15Å; V261-A281 HydrophobicContact CB-CB 3.95Å; V261-A281 HydrophobicContact CG1-CB 3.88Å; V261-A281 HydrophobicContact CG2-CB 3.8Å; I269-A281 HydrophobicContact CD1-CB 4.16Å; I269-A281 HydrophobicContact CG1-CB 4.47Å; A270-A281 HydrophobicContact CB-CB 4.06Å; A281-I283 HydrophobicContact CB-CD1 4.37Å |
| 282 | D | 94.7 | Very high | 76.9 | Confident | 78 Ų | 78 | 68.3 Ų | 68.3 | 42% | 0.417 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 127.8 | 171.4 | -61.8 | -61.7 | 0 | 0 | 0 | 109.8 | E2 K4 | E2-D282 HydrophobicContact CG-CB 3.95Å; E2-D282 WeakPolarHBondContact OE1-CB 3.21Å; K4-D282 WeakPolarHBondContact CB-OD1 3.12Å |
| 283 | I | 92 | Very high | 73.6 | Confident | 1 Ų | 1 | 74.5 Ų | 74.5 | 1% | 0.005 | 41% | 0.407 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 123.8 | -174.7 | -54.5 | -57.3 | 0 | 0 | 0 | 109.1 | E2 F3 I5 Y239 V261 A281 | E2-I283 WeakPolarHBondContact CA-O 3.41Å; F3-I283 HydrophobicContact CD1-CB 3.95Å; F3-I283 HydrophobicContact CD1-CG2 4.32Å; F3-I283 VanDerWaalsContact CD1-O 3.32Å; F3-I283 WeakPolarHBondContact CD1-O 3.24Å; F3-I283 HydrophobicContact CE1-CB 3.52Å; F3-I283 HydrophobicContact CE1-CG1 4.47Å; F3-I283 HydrophobicContact CE1-CG2 3.48Å; F3-I283 VanDerWaalsContact CE1-CG2 3.48Å; F3-I283 HydrophobicContact CE2-CB 4.37Å; F3-I283 HydrophobicContact CZ-CB 3.76Å; F3-I283 HydrophobicContact CZ-CG1 4.23Å; F3-I283 HydrophobicContact CZ-CG2 3.76Å; F3-I283 PolarHBondContact N-O 2.98Å; F3-I283 PolarHBondContact O-N 3.11Å; I5-I283 HydrophobicContact CB-CG1 4.49Å; I5-I283 HydrophobicContact CD1-CD1 3.87Å; I5-I283 HydrophobicContact CD1-CG1 3.92Å; I5-I283 HydrophobicContact CG1-CD1 4.2Å; I5-I283 HydrophobicContact CG1-CG1 3.94Å; I5-I283 HydrophobicContact CG2-CG1 3.8Å; Y239-I283 HydrophobicContact CD1-CD1 3.6Å; Y239-I283 HydrophobicContact CD2-CD1 4.49Å; Y239-I283 HydrophobicContact CD2-CG2 3.68Å; Y239-I283 HydrophobicContact CE1-CD1 3.99Å; Y239-I283 HydrophobicContact CE2-CG2 3.87Å; Y239-I283 HydrophobicContact CG-CD1 3.87Å; Y239-I283 HydrophobicContact CG-CG2 4.08Å; V261-I283 HydrophobicContact CG1-CD1 4.07Å; A281-I283 HydrophobicContact CB-CD1 4.37Å |
| 284 | C | 84.3 | Confident | 70.4 | Confident | 6 Ų | 6 | 77 Ų | 77 | 4% | 0.041 | 42% | 0.417 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 118.7 | -174.7 | -161.7 | 0 | 0 | 0 | 0 | 112.4 | Y239 R286 N304 V305 | Y239-C284 PolarHBondContact OH-N 2.87Å; C284-R286 PolarHBondContact SG-O 3.41Å; C284-N304 HydrophobicContact CB-CB 3.83Å; C284-N304 WeakPolarHBondContact O-CA 3.29Å; C284-N304 VanDerWaalsContact O-CB 3.25Å; C284-N304 WeakPolarHBondContact O-CB 3.33Å; C284-V305 PolarHBondContact O-N 3.39Å |
| 285 | K | 73 | Confident | 67.2 | Low | 69 Ų | 69 | 81 Ų | 81 | 30% | 0.3 | 44% | 0.439 | S | S | . | . | S | Bend | trans | -78.6 | -37.4 | -179.8 | 177.5 | 166.8 | -179.3 | 169.6 | 0 | 113.7 | M1 F146 Q208 S306 | M1-K285 PolarHBondContact O-N 2.78Å; F146-K285 WeakPolarHBondContact O-CD 3.37Å; Q208-K285 HydrophobicContact CG-CB 4.29Å; Q208-K285 HydrophobicContact CG-CD 4.01Å; Q208-K285 HydrophobicContact CG-CG 3.81Å; K285-S306 WeakPolarHBondContact O-CB 3.24Å; K285-S306 PolarHBondContact O-N 3.05Å; K285-S306 PolarHBondContact O-OG 3.35Å |
| 286 | R | 63.2 | Low | 63.8 | Low | 173 Ų | 173 | 82.2 Ų | 82.2 | 65% | 0.653 | 44% | 0.444 | S | S | * | . | S | Bend | trans | -126.3 | 152.8 | -175 | -74.7 | -173.4 | -177.8 | 169.6 | 2 | 109.2 | C284 V288 N304 | C284-R286 PolarHBondContact SG-O 3.41Å; R286-V288 PolarHBondContact O-N 2.99Å; R286-N304 VanDerWaalsContact C-CG 3.48Å |
| 287 | P | 46.3 | Very low | 60.5 | Low | 62 Ų | 62 | 84.8 Ų | 84.8 | 40% | 0.403 | 47% | 0.465 | S | S | . | . | trans | -54 | 130.3 | 172.4 | 21.6 | -30.3 | 0 | 0 | 0 | 110 | S289 N304 | P287-S289 PolarHBondContact O-N 2.97Å; P287-N304 VanDerWaalsContact CA-CG 3.46Å; P287-N304 WeakPolarHBondContact CA-ND2 3.4Å; P287-N304 WeakPolarHBondContact CD-OD1 3.41Å; P287-N304 VanDerWaalsContact N-CG 3.28Å | ||
| 288 | V | 42.1 | Very low | 57.6 | Low | 77 Ų | 77 | 91.8 Ų | 91.8 | 47% | 0.467 | 49% | 0.487 | S | S | . | . | trans | -60.2 | 113.8 | 167.7 | -174.2 | 0 | 0 | 0 | 0 | 104.7 | R286 T290 | R286-V288 PolarHBondContact O-N 2.99Å; V288-T290 VanDerWaalsContact C-N 3.28Å; V288-T290 PolarHBondContact O-N 2.74Å | ||
| 289 | S | 37.2 | Very low | 54.9 | Low | 100 Ų | 100 | 94.8 Ų | 94.8 | 70% | 0.699 | 51% | 0.512 | S | S | * | . | trans | -63.6 | 92.7 | 177.3 | 165.7 | 0 | 0 | 0 | 0 | 107.8 | P287 S291 | P287-S289 PolarHBondContact O-N 2.97Å; S289-S291 PolarHBondContact O-N 2.95Å | ||
| 290 | T | 36.3 | Very low | 52.4 | Low | 104 Ų | 104 | 98.1 Ų | 98.1 | 64% | 0.638 | 54% | 0.536 | S | S | * | . | trans | -75.2 | 80.3 | 165.3 | 39.9 | 0 | 0 | 0 | 0 | 108.1 | V288 L292 | V288-T290 VanDerWaalsContact C-N 3.28Å; V288-T290 PolarHBondContact O-N 2.74Å; T290-L292 PolarHBondContact O-N 3.35Å | ||
| 291 | S | 31.4 | Very low | 49.9 | Very low | 99 Ų | 99 | 95.6 Ų | 95.6 | 69% | 0.692 | 53% | 0.532 | S | S | * | . | trans | -72.8 | 72.7 | 158.3 | 38.8 | 0 | 0 | 0 | 0 | 108.4 | S289 | S289-S291 PolarHBondContact O-N 2.95Š| ||
| 292 | L | 32 | Very low | 47.8 | Very low | 147 Ų | 147 | 97.7 Ų | 97.7 | 77% | 0.77 | 54% | 0.542 | S | S | * | . | S | Bend | trans | -169.8 | 116.9 | 158.8 | -105.2 | 147.2 | 0 | 0 | 0 | 108.8 | T290 V294 | T290-L292 PolarHBondContact O-N 3.35Å; L292-V294 PolarHBondContact O-N 3.35Å |
| 293 | V | 28.9 | Very low | 46.3 | Very low | 138 Ų | 138 | 96.7 Ų | 96.7 | 84% | 0.836 | 54% | 0.537 | S | S | * | . | trans | -57.3 | 101.3 | 170.1 | 175.2 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 294 | V | 30.8 | Very low | 45.8 | Very low | 113 Ų | 113 | 96.7 Ų | 96.7 | 69% | 0.685 | 54% | 0.537 | S | S | * | . | trans | -135.3 | 103.5 | 157.7 | -174.5 | 0 | 0 | 0 | 0 | 108.2 | L292 H296 | L292-V294 PolarHBondContact O-N 3.35Å; V294-H296 PolarHBondContact O-N 3.33Å | ||
| 295 | L | 29.4 | Very low | 45.7 | Very low | 148 Ų | 148 | 96.5 Ų | 96.5 | 78% | 0.775 | 54% | 0.535 | S | S | * | . | trans | -53.6 | 125 | 158.3 | -77.3 | 145.5 | 0 | 0 | 0 | 108.1 | ||||
| 296 | H | 28.6 | Very low | 46.2 | Very low | 174 Ų | 174 | 95.4 Ų | 95.4 | 81% | 0.806 | 54% | 0.536 | S | S | * | . | trans | 102.8 | 65.9 | 177.7 | -63.9 | 75.2 | 0 | 0 | 0 | 117.5 | V294 | V294-H296 PolarHBondContact O-N 3.33Š| ||
| 297 | T | 29.1 | Very low | 47.2 | Very low | 119 Ų | 119 | 87.4 Ų | 87.4 | 73% | 0.73 | 51% | 0.507 | S | S | * | . | -167.9 | 114.7 | 128.7 | 13.8 | 0 | 0 | 0 | 0 | 109.7 | A299 | T297-A299 PolarHBondContact O-N 3.15Š| |||
| 298 | Y | 36.1 | Very low | 48.9 | Very low | 226 Ų | 226 | 84.5 Ų | 84.5 | 89% | 0.886 | 49% | 0.488 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.4 | 19.3 | -171.2 | -118 | -91.5 | 0 | 0 | 0 | 115.5 | I302 | Y298-I302 VanDerWaalsContact O-CD1 3.29Å; Y298-I302 WeakPolarHBondContact O-CD1 3.17Å |
| 299 | A | 43 | Very low | 51 | Low | 70 Ų | 70 | 82.2 Ų | 82.2 | 58% | 0.579 | 47% | 0.471 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -130.7 | -24.8 | -160.3 | 0 | 0 | 0 | 0 | 0 | 117.7 | T297 G301 | T297-A299 PolarHBondContact O-N 3.15Å; A299-G301 VanDerWaalsContact C-N 3.33Å; A299-G301 PolarHBondContact O-N 3.1Å; A299-G301 VanDerWaalsContact O-N 3.16Å |
| 300 | S | 45.2 | Very low | 53.3 | Low | 76 Ų | 76 | 84.7 Ų | 84.7 | 53% | 0.531 | 47% | 0.472 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.7 | 13.6 | -162.3 | 54.3 | 0 | 0 | 0 | 0 | 116.8 | ||
| 301 | G | 47.2 | Very low | 55.7 | Low | 20 Ų | 20 | 87.2 Ų | 87.2 | 21% | 0.206 | 47% | 0.469 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -154 | 12.4 | 177.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | A299 N304 S307 | A299-G301 VanDerWaalsContact C-N 3.33Å; A299-G301 PolarHBondContact O-N 3.1Å; A299-G301 VanDerWaalsContact O-N 3.16Å; G301-N304 PolarHBondContact O-ND2 3.07Å; G301-S307 WeakPolarHBondContact O-CB 3.27Å; G301-S307 PolarHBondContact O-OG 2.76Å |
| 302 | I | 53.7 | Low | 58.3 | Low | 51 Ų | 51 | 86.1 Ų | 86.1 | 26% | 0.262 | 46% | 0.455 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.1 | -37.6 | 177.8 | -64.6 | 179.1 | 0 | 0 | 0 | 109.4 | W265 Y298 N304 | W265-I302 HydrophobicContact CD2-CG2 4.04Å; W265-I302 HydrophobicContact CG-CG2 4.39Å; W265-I302 HydrophobicContact CH2-CG2 4.34Å; W265-I302 HydrophobicContact CZ2-CG2 3.5Å; W265-I302 VanDerWaalsContact NE1-C 3.34Å; W265-I302 PolarHBondContact NE1-O 2.85Å; Y298-I302 VanDerWaalsContact O-CD1 3.29Å; Y298-I302 WeakPolarHBondContact O-CD1 3.17Å; I302-N304 VanDerWaalsContact C-N 3.29Å; I302-N304 PolarHBondContact O-N 2.76Å; I302-N304 VanDerWaalsContact O-N 3.13Å |
| 303 | D | 62.6 | Low | 60.8 | Low | 58 Ų | 58 | 81 Ų | 81 | 31% | 0.31 | 43% | 0.431 | S | S | . | . | S | Bend | trans | -63.5 | -10.5 | -174.2 | 58 | -7.2 | 0 | 0 | 0 | 117.7 | Y239 P264 | Y239-D303 PolarHBondContact OH-O 2.86Å; P264-D303 WeakPolarHBondContact CD-O 3.49Å |
| 304 | N | 81.9 | Confident | 63.5 | Low | 0 Ų | 0 | 78 Ų | 78 | 0% | 0 | 41% | 0.409 | C | S | . | . | S | Bend | trans | -87.3 | 153.1 | 179.9 | 67.7 | 86.5 | 0 | 0 | 0 | 113 | C284 R286 P287 G301 I302 S306 S307 A308 | C284-N304 HydrophobicContact CB-CB 3.83Å; C284-N304 WeakPolarHBondContact O-CA 3.29Å; C284-N304 VanDerWaalsContact O-CB 3.25Å; C284-N304 WeakPolarHBondContact O-CB 3.33Å; R286-N304 VanDerWaalsContact C-CG 3.48Å; P287-N304 VanDerWaalsContact CA-CG 3.46Å; P287-N304 WeakPolarHBondContact CA-ND2 3.4Å; P287-N304 WeakPolarHBondContact CD-OD1 3.41Å; P287-N304 VanDerWaalsContact N-CG 3.28Å; G301-N304 PolarHBondContact O-ND2 3.07Å; I302-N304 VanDerWaalsContact C-N 3.29Å; I302-N304 PolarHBondContact O-N 2.76Å; I302-N304 VanDerWaalsContact O-N 3.13Å; N304-S306 PolarHBondContact O-N 3.25Å; N304-S306 PolarHBondContact OD1-N 3.3Å; N304-S307 WeakPolarHBondContact ND2-CB 3.35Å; N304-S307 PolarHBondContact O-N 3.46Å; N304-S307 WeakPolarHBondContact OD1-CB 3.46Å; N304-S307 PolarHBondContact OD1-N 3.37Å; N304-A308 WeakPolarHBondContact O-CB 3.34Å; N304-A308 PolarHBondContact O-N 2.8Å |
| 305 | V | 82.8 | Confident | 66 | Low | 2 Ų | 2 | 73.2 Ų | 73.2 | 1% | 0.012 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -58.9 | -42.8 | -174.7 | 173.2 | 0 | 0 | 0 | 0 | 113.3 | Q208 Y239 P264 C284 R309 | Q208-V305 HydrophobicContact CB-CG2 4.07Å; Q208-V305 HydrophobicContact CG-CB 4.31Å; Q208-V305 HydrophobicContact CG-CG1 4.16Å; Q208-V305 HydrophobicContact CG-CG2 4.24Å; Q208-V305 WeakPolarHBondContact O-CG2 3.49Å; Y239-V305 HydrophobicContact CD2-CG2 3.72Å; Y239-V305 HydrophobicContact CE2-CG2 3.89Å; P264-V305 HydrophobicContact CG-CG2 3.86Å; C284-V305 PolarHBondContact O-N 3.39Å; V305-R309 WeakPolarHBondContact O-CB 3.46Å; V305-R309 VanDerWaalsContact O-CG 3.3Å; V305-R309 WeakPolarHBondContact O-CG 3.23Å; V305-R309 PolarHBondContact O-N 3.45Å; V305-R309 VanDerWaalsContact O-N 3.07Å |
| 306 | S | 83.2 | Confident | 68.5 | Low | 46 Ų | 46 | 71.4 Ų | 71.4 | 32% | 0.322 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -68 | -45.2 | -177.1 | -60.3 | 0 | 0 | 0 | 0 | 111.6 | K285 N304 R309 E310 | K285-S306 WeakPolarHBondContact O-CB 3.24Å; K285-S306 PolarHBondContact O-N 3.05Å; K285-S306 PolarHBondContact O-OG 3.35Å; N304-S306 PolarHBondContact O-N 3.25Å; N304-S306 PolarHBondContact OD1-N 3.3Å; S306-R309 PolarHBondContact O-N 2.96Å; S306-E310 WeakPolarHBondContact O-CB 3.18Å; S306-E310 PolarHBondContact O-N 3.31Å |
| 307 | S | 82.5 | Confident | 71.2 | Confident | 6 Ų | 6 | 69.7 Ų | 69.7 | 4% | 0.042 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -62.5 | -43.9 | 176.9 | -176.7 | 0 | 0 | 0 | 0 | 111.4 | G301 N304 R309 E310 R311 | G301-S307 WeakPolarHBondContact O-CB 3.27Å; G301-S307 PolarHBondContact O-OG 2.76Å; N304-S307 WeakPolarHBondContact ND2-CB 3.35Å; N304-S307 PolarHBondContact O-N 3.46Å; N304-S307 WeakPolarHBondContact OD1-CB 3.46Å; N304-S307 PolarHBondContact OD1-N 3.37Å; S307-R309 PolarHBondContact O-N 3.17Å; S307-E310 PolarHBondContact O-N 3.38Å; S307-R311 WeakPolarHBondContact O-CB 3.28Å; S307-R311 VanDerWaalsContact O-CG 3.28Å; S307-R311 WeakPolarHBondContact O-CG 3.36Å; S307-R311 PolarHBondContact O-N 3.1Å; S307-R311 PolarHBondContact OG-NE 2.74Å |
| 308 | A | 82.8 | Confident | 73.9 | Confident | 0 Ų | 0 | 65.4 Ų | 65.4 | 0% | 0 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -58.9 | -48.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | P264 W265 N304 E310 R311 I312 | P264-A308 HydrophobicContact CB-CB 3.65Å; W265-A308 HydrophobicContact CZ2-CB 3.95Å; N304-A308 WeakPolarHBondContact O-CB 3.34Å; N304-A308 PolarHBondContact O-N 2.8Å; A308-E310 VanDerWaalsContact C-N 3.32Å; A308-E310 PolarHBondContact O-N 3.4Å; A308-R311 PolarHBondContact O-N 3.35Å; A308-I312 PolarHBondContact O-N 2.99Å |
| 309 | R | 85.8 | Confident | 76.3 | Confident | 30 Ų | 30 | 60.6 Ų | 60.6 | 11% | 0.113 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -69.1 | -25.3 | 179.5 | -71.6 | 175.7 | 174.1 | 169.6 | 0.8 | 114.1 | C207 T236 L237 S238 V305 S306 S307 P313 | C207-R309 PolarHBondContact O-NH1 2.92Å; C207-R309 PolarHBondContact O-NH2 3.41Å; T236-R309 PolarHBondContact O-NH2 3.08Å; L237-R309 HydrophobicContact CB-CG 3.68Å; L237-R309 HydrophobicContact CD1-CG 3.95Å; L237-R309 HydrophobicContact CG-CG 4.49Å; L237-R309 PolarHBondContact O-NE 3.45Å; S238-R309 PolarHBondContact OG-NH2 3.32Å; V305-R309 WeakPolarHBondContact O-CB 3.46Å; V305-R309 VanDerWaalsContact O-CG 3.3Å; V305-R309 WeakPolarHBondContact O-CG 3.23Å; V305-R309 PolarHBondContact O-N 3.45Å; V305-R309 VanDerWaalsContact O-N 3.07Å; S306-R309 PolarHBondContact O-N 2.96Å; S307-R309 PolarHBondContact O-N 3.17Å; R309-P313 VanDerWaalsContact O-CA 3.3Å; R309-P313 WeakPolarHBondContact O-CA 3.41Å |
| 310 | E | 86.1 | Confident | 78 | Confident | 152 Ų | 152 | 61.3 Ų | 61.3 | 71% | 0.71 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -77.3 | -45 | 174.5 | -176.5 | 177.6 | -175 | 0 | 0 | 111.3 | S306 S307 A308 | S306-E310 WeakPolarHBondContact O-CB 3.18Å; S306-E310 PolarHBondContact O-N 3.31Å; S307-E310 PolarHBondContact O-N 3.38Å; A308-E310 VanDerWaalsContact C-N 3.32Å; A308-E310 PolarHBondContact O-N 3.4Å |
| 311 | R | 87.1 | Confident | 79.8 | Confident | 157 Ų | 157 | 63.1 Ų | 63.1 | 59% | 0.592 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -71.7 | -39.6 | -177.3 | -70 | 172 | -176.3 | -89.5 | -1.4 | 113 | W265 S307 A308 | W265-R311 HydrophobicContact CH2-CB 4.06Å; W265-R311 HydrophobicContact CZ2-CB 4.39Å; S307-R311 WeakPolarHBondContact O-CB 3.28Å; S307-R311 VanDerWaalsContact O-CG 3.28Å; S307-R311 WeakPolarHBondContact O-CG 3.36Å; S307-R311 PolarHBondContact O-N 3.1Å; S307-R311 PolarHBondContact OG-NE 2.74Å; A308-R311 PolarHBondContact O-N 3.35Å |
| 312 | I | 85.2 | Confident | 81.6 | Confident | 75 Ų | 75 | 67.7 Ų | 67.7 | 39% | 0.385 | 34% | 0.336 | S | S | . | . | S | Bend | trans | -122.8 | 89.8 | 174 | -56.2 | -174.5 | 0 | 0 | 0 | 107.1 | L237 W265 A308 L314 | L237-I312 WeakPolarHBondContact CD1-O 3.4Å; W265-I312 HydrophobicContact CE3-CD1 4.37Å; W265-I312 HydrophobicContact CH2-CD1 3.97Å; W265-I312 HydrophobicContact CH2-CG1 4.04Å; W265-I312 HydrophobicContact CZ3-CD1 3.43Å; W265-I312 VanDerWaalsContact CZ3-CD1 3.43Å; W265-I312 HydrophobicContact CZ3-CG1 4.03Å; A308-I312 PolarHBondContact O-N 2.99Å; I312-L314 HydrophobicContact CG2-CB 4.19Å; I312-L314 PolarHBondContact O-N 3.4Å |
| 313 | P | 85.6 | Confident | 83 | Confident | 40 Ų | 40 | 70.9 Ų | 70.9 | 26% | 0.26 | 35% | 0.346 | S | S | . | . | trans | -77.6 | 45.2 | -175.5 | 33.5 | -37.1 | 0 | 0 | 0 | 112.8 | R309 L315 N316 Q317 | R309-P313 VanDerWaalsContact O-CA 3.3Å; R309-P313 WeakPolarHBondContact O-CA 3.41Å; P313-L315 VanDerWaalsContact C-N 3.3Å; P313-L315 PolarHBondContact O-N 2.82Å; P313-N316 HydrophobicContact CB-CB 4.39Å; P313-N316 PolarHBondContact O-N 3.48Å; P313-Q317 PolarHBondContact O-N 3.04Å; P313-Q317 VanDerWaalsContact O-N 3.15Å | ||
| 314 | L | 85 | Confident | 83.5 | Confident | 75 Ų | 75 | 71.9 Ų | 71.9 | 39% | 0.393 | 36% | 0.362 | S | S | . | . | G | 310 helix | trans | -50.8 | -47.8 | -174.7 | -175.5 | 140.2 | 0 | 0 | 0 | 112 | L237 I312 N316 Q317 A318 | L237-L314 HydrophobicContact CD1-CB 4.16Å; I312-L314 HydrophobicContact CG2-CB 4.19Å; I312-L314 PolarHBondContact O-N 3.4Å; L314-N316 PolarHBondContact O-N 3.01Å; L314-Q317 PolarHBondContact O-N 2.83Å; L314-Q317 VanDerWaalsContact O-N 3.09Å; L314-A318 PolarHBondContact O-N 2.69Å |
| 315 | L | 82.5 | Confident | 82.8 | Confident | 12 Ų | 12 | 73.4 Ų | 73.4 | 6% | 0.063 | 37% | 0.373 | C | S | . | . | G | 310 helix | trans | -67 | -21.9 | -179.2 | -60.1 | 176.3 | 0 | 0 | 0 | 113.7 | A167 R206 P313 | A167-L315 HydrophobicContact CB-CD1 4.21Å; A167-L315 HydrophobicContact CB-CD2 4.29Å; R206-L315 VanDerWaalsContact NH1-CB 3.3Å; R206-L315 VanDerWaalsContact NH1-CD1 3.3Å; P313-L315 VanDerWaalsContact C-N 3.3Å; P313-L315 PolarHBondContact O-N 2.82Å |
| 316 | N | 82.6 | Confident | 82.2 | Confident | 111 Ų | 111 | 74.7 Ų | 74.7 | 59% | 0.594 | 39% | 0.386 | S | S | * | . | G | 310 helix | trans | -91.1 | -14.3 | 176.5 | -60.6 | -10.1 | 0 | 0 | 0 | 112 | R206 P313 L314 | R206-N316 PolarHBondContact NH2-OD1 3.33Å; P313-N316 HydrophobicContact CB-CB 4.39Å; P313-N316 PolarHBondContact O-N 3.48Å; L314-N316 PolarHBondContact O-N 3.01Å |
| 317 | Q | 86.1 | Confident | 81.7 | Confident | 138 Ų | 138 | 74 Ų | 74 | 65% | 0.645 | 38% | 0.378 | S | S | * | . | S | Bend | trans | -98.5 | 1.5 | 177.6 | -66.8 | 176.5 | -18.2 | 0 | 0 | 112.2 | P313 L314 R319 | P313-Q317 PolarHBondContact O-N 3.04Å; P313-Q317 VanDerWaalsContact O-N 3.15Å; L314-Q317 PolarHBondContact O-N 2.83Å; L314-Q317 VanDerWaalsContact O-N 3.09Å; Q317-R319 PolarHBondContact O-N 2.9Å |
| 318 | A | 84.5 | Confident | 81.2 | Confident | 28 Ų | 28 | 82.7 Ų | 82.7 | 23% | 0.231 | 42% | 0.415 | C | S | . | . | trans | -60.8 | 133.2 | 173.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | L314 L320 Y323 | L314-A318 PolarHBondContact O-N 2.69Å; A318-L320 VanDerWaalsContact C-N 3.29Å; A318-L320 HydrophobicContact CB-CD2 4.19Å; A318-L320 HydrophobicContact CB-CG 4.34Å; A318-L320 PolarHBondContact O-N 3.31Å; A318-Y323 WeakPolarHBondContact CA-OH 3.01Å; A318-Y323 HydrophobicContact CB-CE2 4.32Å | ||
| 319 | R | 87 | Confident | 80.7 | Confident | 125 Ų | 125 | 87.9 Ų | 87.9 | 47% | 0.472 | 44% | 0.442 | S | S | . | . | trans | -86.1 | 70.1 | 179.4 | -67.7 | -64.1 | -57.3 | -84.2 | 1.3 | 110.5 | Q317 D321 I322 Y323 | Q317-R319 PolarHBondContact O-N 2.9Å; R319-D321 WeakPolarHBondContact CA-OD1 3.49Å; R319-D321 IonicContact CZ-OD1 3.47Å; R319-D321 IonicContact CZ-OD2 3.82Å; R319-D321 IonicContact NE-OD1 2.83Å; R319-D321 PolarHBondContact NE-OD1 3.26Å; R319-D321 IonicContact NE-OD2 3.35Å; R319-D321 PolarHBondContact NE-OD2 3.36Å; R319-D321 IonicContact NH2-OD1 3.27Å; R319-D321 IonicContact NH2-OD2 2.67Å; R319-D321 PolarHBondContact NH2-OD2 3.37Å; R319-D321 PolarHBondContact O-N 2.73Å; R319-I322 HydrophobicContact CB-CB 4.11Å; R319-I322 HydrophobicContact CB-CD1 4.01Å; R319-I322 HydrophobicContact CB-CG1 4.11Å; R319-I322 HydrophobicContact CG-CD1 4.31Å; R319-I322 VanDerWaalsContact CZ-CD1 3.49Å; R319-I322 PolarHBondContact O-N 3.46Å; R319-Y323 HydrophobicContact CB-CD1 4.36Å; R319-Y323 HydrophobicContact CB-CE1 3.7Å; R319-Y323 PolarHBondContact N-OH 3.44Å; R319-Y323 PolarHBondContact O-N 2.82Å | ||
| 320 | L | 79.3 | Confident | 80.1 | Confident | 86 Ų | 86 | 92.6 Ų | 92.6 | 45% | 0.45 | 47% | 0.466 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.7 | -16.9 | -179.2 | -60.5 | -176 | 0 | 0 | 0 | 113.6 | A318 I322 Y323 S325 | A318-L320 VanDerWaalsContact C-N 3.29Å; A318-L320 HydrophobicContact CB-CD2 4.19Å; A318-L320 HydrophobicContact CB-CG 4.34Å; A318-L320 PolarHBondContact O-N 3.31Å; L320-I322 VanDerWaalsContact C-N 3.33Å; L320-Y323 VanDerWaalsContact CA-O 3.27Å; L320-Y323 WeakPolarHBondContact CA-O 3.1Å; L320-S325 WeakPolarHBondContact CD2-OG 3.44Å |
| 321 | D | 81.7 | Confident | 79.8 | Confident | 114 Ų | 114 | 86 Ų | 86 | 61% | 0.61 | 44% | 0.436 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.4 | -23.6 | 169.5 | 64.2 | -57 | 0 | 0 | 0 | 113.4 | R319 | R319-D321 WeakPolarHBondContact CA-OD1 3.49Å; R319-D321 IonicContact CZ-OD1 3.47Å; R319-D321 IonicContact CZ-OD2 3.82Å; R319-D321 IonicContact NE-OD1 2.83Å; R319-D321 PolarHBondContact NE-OD1 3.26Å; R319-D321 IonicContact NE-OD2 3.35Å; R319-D321 PolarHBondContact NE-OD2 3.36Å; R319-D321 IonicContact NH2-OD1 3.27Å; R319-D321 IonicContact NH2-OD2 2.67Å; R319-D321 PolarHBondContact NH2-OD2 3.37Å; R319-D321 PolarHBondContact O-N 2.73Å |
| 322 | I | 85.7 | Confident | 79.8 | Confident | 116 Ų | 116 | 81.8 Ų | 81.8 | 60% | 0.595 | 42% | 0.424 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.3 | -43.8 | 178.6 | -62.1 | -179.1 | 0 | 0 | 0 | 110.8 | R319 L320 | R319-I322 HydrophobicContact CB-CB 4.11Å; R319-I322 HydrophobicContact CB-CD1 4.01Å; R319-I322 HydrophobicContact CB-CG1 4.11Å; R319-I322 HydrophobicContact CG-CD1 4.31Å; R319-I322 VanDerWaalsContact CZ-CD1 3.49Å; R319-I322 PolarHBondContact O-N 3.46Å; L320-I322 VanDerWaalsContact C-N 3.33Å |
| 323 | Y | 82.3 | Confident | 79.9 | Confident | 118 Ų | 118 | 80.2 Ų | 80.2 | 46% | 0.463 | 42% | 0.418 | S | S | . | . | S | Bend | trans | -133.3 | 135.1 | -177.3 | 51.7 | -101.4 | 0 | 0 | 0 | 111.2 | A318 R319 L320 | A318-Y323 WeakPolarHBondContact CA-OH 3.01Å; A318-Y323 HydrophobicContact CB-CE2 4.32Å; R319-Y323 HydrophobicContact CB-CD1 4.36Å; R319-Y323 HydrophobicContact CB-CE1 3.7Å; R319-Y323 PolarHBondContact N-OH 3.44Å; R319-Y323 PolarHBondContact O-N 2.82Å; L320-Y323 VanDerWaalsContact CA-O 3.27Å; L320-Y323 WeakPolarHBondContact CA-O 3.1Å |
| 324 | A | 73 | Confident | 80 | Confident | 78 Ų | 78 | 78.8 Ų | 78.8 | 65% | 0.645 | 41% | 0.409 | S | S | * | . | trans | -78.2 | 136.5 | 172.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | I173 | I173-A324 HydrophobicContact CD1-CB 3.92Š| ||
| 325 | S | 67.1 | Low | 80 | Confident | 33 Ų | 33 | 77.1 Ų | 77.1 | 23% | 0.231 | 40% | 0.4 | C | S | . | . | trans | -139 | 105.3 | 168 | 57 | 0 | 0 | 0 | 0 | 109.5 | N168 L320 | N168-S325 WeakPolarHBondContact ND2-CB 3.43Å; N168-S325 PolarHBondContact ND2-O 2.94Å; N168-S325 PolarHBondContact ND2-OG 2.89Å; L320-S325 WeakPolarHBondContact CD2-OG 3.44Å | ||
| 326 | G | 71.1 | Confident | 79.4 | Confident | 29 Ų | 29 | 76.6 Ų | 76.6 | 30% | 0.299 | 40% | 0.397 | S | S | . | . | S | Bend | trans | 172.1 | 172.7 | -173.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||
| 327 | F | 73.2 | Confident | 79.2 | Confident | 32 Ų | 32 | 76 Ų | 76 | 14% | 0.14 | 40% | 0.401 | C | S | . | . | trans | -80.8 | 138.9 | 176.3 | -56.1 | -63.4 | 0 | 0 | 0 | 110.6 | P139 L162 A165 Y166 N329 P331 | P139-F327 HydrophobicContact CB-CD1 3.92Å; P139-F327 HydrophobicContact CB-CE1 3.37Å; P139-F327 HydrophobicContact CB-CE2 4.33Å; P139-F327 HydrophobicContact CB-CZ 3.61Å; P139-F327 HydrophobicContact CG-CB 4.45Å; P139-F327 HydrophobicContact CG-CD1 3.32Å; P139-F327 HydrophobicContact CG-CD2 4.24Å; P139-F327 HydrophobicContact CG-CE1 3.37Å; P139-F327 HydrophobicContact CG-CE2 4.29Å; P139-F327 HydrophobicContact CG-CG 3.77Å; P139-F327 HydrophobicContact CG-CZ 3.88Å; L162-F327 HydrophobicContact CD1-CE1 3.83Å; L162-F327 HydrophobicContact CD1-CZ 4.34Å; A165-F327 HydrophobicContact CB-CD1 3.59Å; A165-F327 HydrophobicContact CB-CD2 4.1Å; A165-F327 HydrophobicContact CB-CE1 3.29Å; A165-F327 HydrophobicContact CB-CE2 3.82Å; A165-F327 HydrophobicContact CB-CG 4.01Å; A165-F327 HydrophobicContact CB-CZ 3.41Å; A165-F327 VanDerWaalsContact CB-CZ 3.41Å; Y166-F327 HydrophobicContact CD1-CE2 4Å; Y166-F327 AromaticContact CD1-CZ 3.53Å; Y166-F327 HydrophobicContact CD1-CZ 3.53Å; Y166-F327 HydrophobicContact CE1-CE2 4.26Å; Y166-F327 AromaticContact CE1-CZ 3.62Å; Y166-F327 HydrophobicContact CE1-CZ 3.62Å; Y166-F327 HydrophobicContact CG-CZ 4.05Å; F327-N329 VanDerWaalsContact C-N 3.33Å; F327-N329 WeakPolarHBondContact CB-O 3.07Å; F327-P331 HydrophobicContact CD2-CB 4.07Å; F327-P331 HydrophobicContact CD2-CG 3.84Å; F327-P331 HydrophobicContact CE2-CB 3.98Å; F327-P331 HydrophobicContact CE2-CG 3.93Å | ||
| 328 | K | 72.3 | Confident | 78.9 | Confident | 188 Ų | 188 | 72.9 Ų | 72.9 | 82% | 0.817 | 39% | 0.388 | S | S | * | . | S | Bend | trans | -67.7 | -37.6 | 171.2 | -71 | -171.5 | 179.1 | -177.6 | 0 | 111.6 | ||
| 329 | N | 70.6 | Confident | 78.6 | Confident | 109 Ų | 109 | 75.2 Ų | 75.2 | 58% | 0.583 | 40% | 0.397 | S | S | * | . | S | Bend | trans | -111.9 | 150.7 | 174.7 | -59.4 | -23.1 | 0 | 0 | 0 | 108.5 | F327 | F327-N329 VanDerWaalsContact C-N 3.33Å; F327-N329 WeakPolarHBondContact CB-O 3.07Å |
| 330 | E | 73.7 | Confident | 78.1 | Confident | 129 Ų | 129 | 72.4 Ų | 72.4 | 60% | 0.603 | 39% | 0.393 | S | S | * | . | trans | -57.7 | 137.6 | 173.5 | -69.3 | -169.5 | 166.4 | 0 | 0 | 110.6 | L172 | L172-E330 HydrophobicContact CD1-CG 3.68Å; L172-E330 HydrophobicContact CD2-CG 4.35Å; L172-E330 HydrophobicContact CG-CG 4.49Å | ||
| 331 | P | 80.8 | Confident | 78.1 | Confident | 13 Ų | 13 | 71.6 Ų | 71.6 | 8% | 0.084 | 39% | 0.389 | C | S | . | . | trans | -64.6 | 148 | 171.3 | 29.3 | -33.1 | 0 | 0 | 0 | 109.1 | P139 I141 I204 F327 V333 | P139-P331 HydrophobicContact CB-CB 4.1Å; P139-P331 HydrophobicContact CG-CB 3.91Å; P139-P331 CarbonylContact O-C 3.48Å; P139-P331 WeakPolarHBondContact O-CA 3.35Å; I141-P331 HydrophobicContact CD1-CB 4.13Å; I141-P331 HydrophobicContact CD1-CG 3.69Å; I141-P331 HydrophobicContact CG1-CB 4.23Å; I141-P331 HydrophobicContact CG1-CG 4.34Å; I204-P331 HydrophobicContact CD1-CG 3.65Å; F327-P331 HydrophobicContact CD2-CB 4.07Å; F327-P331 HydrophobicContact CD2-CG 3.84Å; F327-P331 HydrophobicContact CE2-CB 3.98Å; F327-P331 HydrophobicContact CE2-CG 3.93Å; P331-V333 PolarHBondContact O-N 3.04Å; P331-V333 VanDerWaalsContact O-N 3.07Å | ||
| 332 | I | 86.1 | Confident | 77.9 | Confident | 68 Ų | 68 | 69 Ų | 69 | 35% | 0.349 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.2 | 114.5 | 167.6 | -62 | 174.3 | 0 | 0 | 0 | 107.3 | E138 P139 V140 I141 V334 | E138-I332 HydrophobicContact CB-CD1 4.02Å; E138-I332 HydrophobicContact CB-CG1 4.28Å; E138-I332 HydrophobicContact CG-CD1 4.49Å; E138-I332 WeakPolarHBondContact OE2-CD1 3.49Å; P139-I332 PolarHBondContact O-N 3.47Å; V140-I332 WeakPolarHBondContact CA-O 3.45Å; V140-I332 HydrophobicContact CG2-CB 4.27Å; I141-I332 PolarHBondContact N-O 3.1Å; I332-V334 HydrophobicContact CG2-CG2 3.74Å |
| 333 | V | 87.4 | Confident | 77.3 | Confident | 43 Ų | 43 | 65.9 Ų | 65.9 | 26% | 0.261 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 111.9 | 170.7 | -177 | 0 | 0 | 0 | 0 | 108.1 | I204 P331 | I204-V333 HydrophobicContact CD1-CG2 3.9Å; I204-V333 HydrophobicContact CG1-CG2 4.42Å; I204-V333 HydrophobicContact CG2-CG2 4.23Å; P331-V333 PolarHBondContact O-N 3.04Å; P331-V333 VanDerWaalsContact O-N 3.07Å |
| 334 | V | 87.1 | Confident | 77 | Confident | 9 Ų | 9 | 62.1 Ų | 62.1 | 6% | 0.055 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 112.1 | 177.6 | 178.1 | 0 | 0 | 0 | 0 | 108.1 | L100 V108 V140 I141 F142 R143 I332 | L100-V334 HydrophobicContact CD1-CG2 4.5Å; V108-V334 HydrophobicContact CB-CG1 3.47Å; V108-V334 VanDerWaalsContact CB-CG1 3.47Å; V108-V334 HydrophobicContact CG2-CG1 3.39Å; V108-V334 WeakPolarHBondContact O-CG1 3.18Å; V140-V334 HydrophobicContact CG1-CG2 3.96Å; I141-V334 PolarHBondContact O-N 3.26Å; F142-V334 HydrophobicContact CD2-CG1 4.28Å; R143-V334 PolarHBondContact N-O 3.05Å; I332-V334 HydrophobicContact CG2-CG2 3.74Å |
| 335 | D | 86.3 | Confident | 77.3 | Confident | 41 Ų | 41 | 60.9 Ų | 60.9 | 22% | 0.219 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.9 | 121.1 | 174.2 | -146.8 | -37.6 | 0 | 0 | 0 | 110.7 | R143 C195 C337 | R143-D335 VanDerWaalsContact CD-OD2 3.28Å; R143-D335 WeakPolarHBondContact CD-OD2 3.44Å; C195-D335 HydrophobicContact CB-CB 4.17Å; C195-D335 WeakPolarHBondContact CB-OD2 3.43Å; D335-C337 WeakPolarHBondContact OD1-CB 3.43Å; D335-C337 PolarHBondContact OD1-N 2.7Å; D335-C337 PolarHBondContact OD1-SG 3.05Å |
| 336 | G | 70.5 | Confident | 78.1 | Confident | 0 Ų | 0 | 63.3 Ų | 63.3 | 0% | 0 | 34% | 0.339 | C | S | . | . | trans | -86 | -12.8 | 175.8 | 0 | 0 | 0 | 0 | 0 | 114 | N102 R143 | N102-G336 WeakPolarHBondContact CB-O 3.07Å; R143-G336 WeakPolarHBondContact O-CA 3.41Å; R143-G336 PolarHBondContact O-N 3.22Å | ||
| 337 | C | 78.5 | Confident | 78.8 | Confident | 98 Ų | 98 | 66.4 Ų | 66.4 | 66% | 0.662 | 34% | 0.343 | S | S | * | . | trans | -79.8 | 0 | -171.2 | -56.9 | 0 | 0 | 0 | 0 | 114.2 | E145 D335 | E145-C337 PolarHBondContact N-SG 3.28Å; D335-C337 WeakPolarHBondContact OD1-CB 3.43Å; D335-C337 PolarHBondContact OD1-N 2.7Å; D335-C337 PolarHBondContact OD1-SG 3.05Å |
Retrieved 337 of 337 residues in 1628.8 ms
(Link to these results)