| 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 | 71.7 | Confident | 87.5 | Confident | 40 Ų | 40 | 62.7 Ų | 62.7 | 20% | 0.197 | 31% | 0.305 | C | S | . | . | 0 | 128.1 | 0 | -175.5 | -159.1 | -160.7 | 0 | 0 | 108.3 | I276 F290 I318 F320 | M1-I276 HydrophobicContact CE-CD1 3.81Å; M1-F290 HydrophobicContact CE-CD1 3.83Å; M1-F290 HydrophobicContact CE-CE1 4.06Å; M1-F290 HydrophobicContact CE-CG 4.18Å; M1-F290 HydrophobicContact SD-CB 3.81Å; M1-F290 HydrophobicContact SD-CD1 3.55Å; M1-F290 VanDerWaalsContact SD-CD1 3.55Å; M1-F290 HydrophobicContact SD-CD2 3.43Å; M1-F290 WeakPolarHBondContact SD-CD2 3.29Å; M1-F290 HydrophobicContact SD-CE1 3.92Å; M1-F290 HydrophobicContact SD-CE2 3.83Å; M1-F290 HydrophobicContact SD-CG 3.28Å; M1-F290 WeakPolarHBondContact SD-CG 3.48Å; M1-F290 HydrophobicContact SD-CZ 4.06Å; M1-I318 HydrophobicContact CE-CD1 3.61Å; M1-I318 HydrophobicContact CE-CG1 4.45Å; M1-F320 HydrophobicContact CE-CB 3.79Å; M1-F320 HydrophobicContact CE-CD1 3.25Å; M1-F320 HydrophobicContact CE-CD2 3.67Å; M1-F320 HydrophobicContact CE-CE1 3.56Å; M1-F320 HydrophobicContact CE-CE2 3.94Å; M1-F320 HydrophobicContact CE-CG 3.29Å; M1-F320 HydrophobicContact CE-CZ 3.88Å; M1-F320 HydrophobicContact CG-CB 3.8Å; M1-F320 HydrophobicContact CG-CD2 3.53Å; M1-F320 HydrophobicContact CG-CE2 4.22Å; M1-F320 HydrophobicContact CG-CG 3.8Å; M1-F320 HydrophobicContact SD-CB 4.47Å; M1-F320 HydrophobicContact SD-CD2 4.41Å; M1-F320 HydrophobicContact SD-CG 4.33Å | |||
| 2 | L | 77.6 | Confident | 88.3 | Confident | 70 Ų | 70 | 57.5 Ų | 57.5 | 37% | 0.366 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 97.5 | -177.5 | -65.6 | 172.1 | 0 | 0 | 0 | 110.2 | K4 F320 K321 | L2-K4 PolarHBondContact O-N 3.24Å; L2-F320 WeakPolarHBondContact O-CA 3.13Å; L2-K321 HydrophobicContact CB-CG 3.78Å; L2-K321 HydrophobicContact CD1-CG 4.23Å; L2-K321 PolarHBondContact N-O 3.16Å; L2-K321 PolarHBondContact O-N 3.47Å; L2-K321 VanDerWaalsContact O-N 3.1Å |
| 3 | K | 83.6 | Confident | 88.9 | Confident | 77 Ų | 77 | 55.5 Ų | 55.5 | 34% | 0.335 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -55.5 | 129.8 | 176.1 | -71.4 | -170 | 166.8 | -166 | 0 | 111.3 | E6 | K3-E6 VanDerWaalsContact CD-OE2 3.3Å; K3-E6 WeakPolarHBondContact CD-OE2 3.49Å; K3-E6 WeakPolarHBondContact CE-OE2 3.27Å; K3-E6 IonicContact NZ-OE1 2.67Å; K3-E6 PolarHBondContact NZ-OE1 2.74Å; K3-E6 IonicContact NZ-OE2 2.7Å; K3-E6 PolarHBondContact NZ-OE2 2.85Å |
| 4 | K | 83.7 | Confident | 89.5 | Confident | 76 Ų | 76 | 51.8 Ų | 51.8 | 33% | 0.33 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | -53.5 | -179.6 | -78.6 | -77.6 | -168.2 | 152.5 | 0 | 111.3 | L2 L308 I319 R536 | L2-K4 PolarHBondContact O-N 3.24Å; K4-L308 HydrophobicContact CD-CD2 4.44Å; K4-L308 HydrophobicContact CG-CD2 3.92Å; K4-I319 HydrophobicContact CB-CG2 4.24Å; K4-I319 WeakPolarHBondContact CB-O 3.31Å; K4-I319 PolarHBondContact N-O 3.43Å; K4-R536 PolarHBondContact O-NH2 2.99Å |
| 5 | F | 87.8 | Confident | 90 | Very high | 15 Ų | 15 | 49.1 Ų | 49.1 | 7% | 0.066 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.6 | 150.2 | -177 | 168.2 | -97 | 0 | 0 | 0 | 107.7 | W36 M317 I319 | F5-W36 HydrophobicContact CE1-CE3 4.47Å; F5-W36 HydrophobicContact CE2-CE3 4.09Å; F5-W36 HydrophobicContact CE2-CZ3 4.31Å; F5-W36 AromaticContact CZ-CD2 3.91Å; F5-W36 HydrophobicContact CZ-CD2 3.91Å; F5-W36 AromaticContact CZ-CE3 3.48Å; F5-W36 HydrophobicContact CZ-CE3 3.48Å; F5-W36 VanDerWaalsContact CZ-CE3 3.48Å; F5-W36 HydrophobicContact CZ-CG 4.41Å; F5-W36 AromaticContact CZ-CZ3 3.9Å; F5-W36 HydrophobicContact CZ-CZ3 3.9Å; F5-M317 HydrophobicContact CE1-CE 4Å; F5-M317 HydrophobicContact CE1-SD 4.47Å; F5-I319 HydrophobicContact CB-CB 4.25Å; F5-I319 HydrophobicContact CB-CD1 4.41Å; F5-I319 HydrophobicContact CD1-CD1 3.67Å; F5-I319 HydrophobicContact CD1-CG1 4.03Å; F5-I319 HydrophobicContact CE1-CD1 4.46Å; F5-I319 HydrophobicContact CG-CD1 4.43Å; F5-I319 PolarHBondContact N-O 3.4Å; F5-I319 PolarHBondContact O-N 3.13Å |
| 6 | E | 90.7 | Very high | 90.4 | Very high | 86 Ų | 86 | 46.8 Ų | 46.8 | 40% | 0.402 | 23% | 0.229 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.4 | 131.3 | -178 | 175 | 159.8 | -162.9 | 0 | 0 | 106.7 | K3 M317 I318 | K3-E6 VanDerWaalsContact CD-OE2 3.3Å; K3-E6 WeakPolarHBondContact CD-OE2 3.49Å; K3-E6 WeakPolarHBondContact CE-OE2 3.27Å; K3-E6 IonicContact NZ-OE1 2.67Å; K3-E6 PolarHBondContact NZ-OE1 2.74Å; K3-E6 IonicContact NZ-OE2 2.7Å; K3-E6 PolarHBondContact NZ-OE2 2.85Å; E6-M317 WeakPolarHBondContact CA-O 3.35Å; E6-I318 HydrophobicContact CB-CG2 4.07Å; E6-I318 HydrophobicContact CG-CG2 3.67Å |
| 7 | S | 91.5 | Very high | 90.8 | Very high | 9 Ų | 9 | 44.5 Ų | 44.5 | 6% | 0.063 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 141.1 | -179 | -171 | 0 | 0 | 0 | 0 | 109.9 | W36 G316 M317 | S7-W36 VanDerWaalsContact OG-CH2 3.3Å; S7-W36 WeakPolarHBondContact OG-CH2 3.45Å; S7-W36 WeakPolarHBondContact OG-CZ2 3.46Å; S7-G316 WeakPolarHBondContact O-CA 3.46Å; S7-M317 PolarHBondContact N-O 3.28Å; S7-M317 PolarHBondContact O-N 3.28Å |
| 8 | K | 92.4 | Very high | 91 | Very high | 187 Ų | 187 | 42.8 Ų | 42.8 | 81% | 0.813 | 21% | 0.209 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 127.8 | 172.7 | -66.9 | -171.3 | 176.5 | -171.8 | 0 | 109.6 | S315 | K8-S315 VanDerWaalsContact CA-O 3.29Å; K8-S315 WeakPolarHBondContact CA-O 3.32Å |
| 9 | S | 93 | Very high | 90.9 | Very high | 27 Ų | 27 | 42.2 Ų | 42.2 | 19% | 0.189 | 21% | 0.209 | C | C | . | . | trans | -153.7 | -177.4 | 178.1 | 64.4 | 0 | 0 | 0 | 0 | 110.1 | S315 G316 | S9-S315 PolarHBondContact N-O 3.32Å; S9-S315 CarbonylContact O-C 3.43Å; S9-G316 WeakPolarHBondContact OG-CA 3.16Å | ||
| 10 | A | 93.9 | Very high | 90.8 | Very high | 45 Ų | 45 | 46.3 Ų | 46.3 | 37% | 0.372 | 24% | 0.236 | S | C | . | . | S | Bend | trans | -57.9 | 159.8 | 158.1 | 0 | 0 | 0 | 0 | 0 | 110.3 | V12 L28 | A10-V12 PolarHBondContact O-N 2.68Å; A10-L28 HydrophobicContact CB-CB 4.46Å; A10-L28 HydrophobicContact CB-CD1 4.28Å |
| 11 | R | 96.2 | Very high | 90.7 | Very high | 58 Ų | 58 | 51.2 Ų | 51.2 | 22% | 0.219 | 25% | 0.252 | C | S | . | . | trans | -42.6 | 122.5 | 179.1 | 173.7 | -171.1 | -67.2 | 149.2 | -4.7 | 112 | K13 L28 H29 W298 H313 D314 | R11-K13 VanDerWaalsContact CD-CE 3.46Å; R11-K13 HydrophobicContact CG-CD 4.26Å; R11-K13 HydrophobicContact CG-CG 4.43Å; R11-L28 CarbonylContact O-C 3.49Å; R11-L28 WeakPolarHBondContact O-CA 3.37Å; R11-H29 HydrophobicContact CB-CB 3.85Å; R11-H29 HydrophobicContact CG-CB 4.27Å; R11-H29 PolarHBondContact NH1-NE2 3.29Å; R11-H29 WeakPolarHBondContact O-CB 3.13Å; R11-H29 PolarHBondContact O-N 3.09Å; R11-W298 HydrophobicContact CG-CG 4.44Å; R11-H313 WeakPolarHBondContact CA-O 3.35Å; R11-D314 WeakPolarHBondContact CA-O 3.29Å; R11-D314 IonicContact CZ-OD1 2.71Å; R11-D314 PolarHBondContact N-O 2.9Å; R11-D314 IonicContact NE-OD1 3.17Å; R11-D314 PolarHBondContact NE-OD1 2.85Å; R11-D314 IonicContact NH2-OD1 2.82Å; R11-D314 PolarHBondContact NH2-OD1 3.02Å | ||
| 12 | V | 97.3 | Very high | 91.5 | Very high | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.4 | 127.3 | 175.2 | 177.5 | 0 | 0 | 0 | 0 | 109.3 | A10 G14 L15 A26 S27 L28 V299 H313 G316 M317 | A10-V12 PolarHBondContact O-N 2.68Å; V12-G14 WeakPolarHBondContact CG1-O 3.26Å; V12-L15 HydrophobicContact CG1-CD1 4.42Å; V12-L15 HydrophobicContact CG1-CD2 3.75Å; V12-L15 HydrophobicContact CG1-CG 3.75Å; V12-A26 HydrophobicContact CG1-CB 4.12Å; V12-A26 HydrophobicContact CG2-CB 4.29Å; V12-S27 WeakPolarHBondContact CA-O 3.48Å; V12-L28 HydrophobicContact CB-CD2 4.43Å; V12-L28 HydrophobicContact CG2-CD2 3.57Å; V12-V299 HydrophobicContact CG1-CG1 4.42Å; V12-H313 PolarHBondContact N-O 3.05Å; V12-H313 VanDerWaalsContact N-O 3.15Å; V12-G316 WeakPolarHBondContact CB-O 3.45Å; V12-G316 VanDerWaalsContact CG2-C 3.47Å; V12-G316 WeakPolarHBondContact CG2-O 3.39Å; V12-M317 HydrophobicContact CG2-CB 4.13Å; V12-M317 HydrophobicContact CG2-CG 4.48Å |
| 13 | K | 96.6 | Very high | 92.3 | Very high | 32 Ų | 32 | 49.8 Ų | 49.8 | 14% | 0.139 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | -22.9 | -179.8 | -75.7 | -57.1 | -154.8 | -177.2 | 0 | 113.9 | R11 S27 H29 R55 W298 | R11-K13 VanDerWaalsContact CD-CE 3.46Å; R11-K13 HydrophobicContact CG-CD 4.26Å; R11-K13 HydrophobicContact CG-CG 4.43Å; K13-S27 PolarHBondContact N-O 3.34Å; K13-H29 HydrophobicContact CG-CB 4.39Å; K13-R55 HydrophobicContact CB-CG 4.35Å; K13-W298 HydrophobicContact CD-CB 4.18Å; K13-W298 HydrophobicContact CD-CG 4.23Å |
| 14 | G | 96.6 | Very high | 93 | Very high | 3 Ų | 3 | 46.1 Ų | 46.1 | 3% | 0.031 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 145.7 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | V12 A26 S27 R55 | V12-G14 WeakPolarHBondContact CG1-O 3.26Å; G14-A26 WeakPolarHBondContact O-CA 3.27Å; G14-S27 WeakPolarHBondContact CA-OG 3.42Å; G14-S27 PolarHBondContact N-O 3.47Å; G14-S27 PolarHBondContact N-OG 2.84Å; G14-S27 PolarHBondContact O-N 3.45Å; G14-S27 PolarHBondContact O-OG 2.84Å; G14-R55 WeakPolarHBondContact CA-O 3.28Å |
| 15 | L | 97.5 | Very high | 93.6 | Very high | 11 Ų | 11 | 42.5 Ų | 42.5 | 6% | 0.058 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.9 | 134.6 | 178.5 | -75.4 | 174.7 | 0 | 0 | 0 | 111.4 | V12 I24 L25 A26 V299 T301 A310 A311 G312 M317 | V12-L15 HydrophobicContact CG1-CD1 4.42Å; V12-L15 HydrophobicContact CG1-CD2 3.75Å; V12-L15 HydrophobicContact CG1-CG 3.75Å; L15-I24 HydrophobicContact CD2-CD1 3.92Å; L15-I24 HydrophobicContact CD2-CG1 4.27Å; L15-L25 WeakPolarHBondContact CA-O 3.31Å; L15-A26 HydrophobicContact CD2-CB 3.75Å; L15-V299 HydrophobicContact CD1-CG1 4.18Å; L15-V299 HydrophobicContact CG-CG1 4.1Å; L15-T301 HydrophobicContact CB-CG2 3.52Å; L15-T301 HydrophobicContact CD1-CG2 4.4Å; L15-A310 HydrophobicContact CD1-CB 3.85Å; L15-A311 VanDerWaalsContact CD1-C 3.4Å; L15-G312 VanDerWaalsContact CD1-N 3.26Å; L15-M317 HydrophobicContact CD2-CB 4.25Å; L15-M317 HydrophobicContact CD2-SD 3.73Å |
| 16 | S | 96.9 | Very high | 94.1 | Very high | 13 Ų | 13 | 41.8 Ų | 41.8 | 9% | 0.091 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.6 | 124.8 | 174.8 | -162.6 | 0 | 0 | 0 | 0 | 112.1 | I24 L25 F59 | S16-I24 WeakPolarHBondContact O-CA 3.3Å; S16-I24 WeakPolarHBondContact O-CG1 3.41Å; S16-L25 PolarHBondContact N-O 2.84Å; S16-L25 PolarHBondContact O-N 2.81Å; S16-F59 WeakPolarHBondContact O-CD2 3.37Å; S16-F59 WeakPolarHBondContact O-CE2 3.34Å; S16-F59 PolarHBondContact OG-N 2.85Å |
| 17 | F | 96.3 | Very high | 94.4 | Very high | 8 Ų | 8 | 37.7 Ų | 37.7 | 4% | 0.035 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.8 | 137 | 171.7 | -79.7 | -71.4 | 0 | 0 | 0 | 111.1 | I24 Y38 F59 T301 H303 L308 A310 I319 | F17-I24 HydrophobicContact CD1-CB 4.31Å; F17-I24 HydrophobicContact CD1-CD1 4.15Å; F17-I24 HydrophobicContact CD1-CG1 4.27Å; F17-I24 HydrophobicContact CE1-CD1 3.89Å; F17-I24 HydrophobicContact CE1-CG1 4.45Å; F17-I24 HydrophobicContact CE2-CD1 4.45Å; F17-I24 HydrophobicContact CZ-CD1 4.06Å; F17-Y38 HydrophobicContact CD1-CD1 4.46Å; F17-Y38 AromaticContact CD1-CE1 3.74Å; F17-Y38 HydrophobicContact CD1-CE1 3.74Å; F17-Y38 HydrophobicContact CE1-CD1 4.17Å; F17-Y38 AromaticContact CE1-CE1 3.7Å; F17-Y38 HydrophobicContact CE1-CE1 3.7Å; F17-F59 VanDerWaalsContact C-CD2 3.47Å; F17-T301 HydrophobicContact CD2-CG2 3.91Å; F17-T301 HydrophobicContact CE2-CG2 3.95Å; F17-H303 HydrophobicContact CD1-CB 4.43Å; F17-H303 AromaticContact CD1-CD2 3.64Å; F17-H303 HydrophobicContact CD2-CB 3.9Å; F17-H303 HydrophobicContact CE2-CB 4.1Å; F17-H303 HydrophobicContact CG-CB 4.06Å; F17-H303 AromaticContact CG-CD2 3.79Å; F17-H303 HydrophobicContact CZ-CB 4.44Å; F17-L308 HydrophobicContact CZ-CB 4.25Å; F17-A310 HydrophobicContact CE2-CB 3.77Å; F17-A310 HydrophobicContact CZ-CB 3.67Å; F17-I319 HydrophobicContact CE1-CD1 4.28Å; F17-I319 HydrophobicContact CE1-CG2 4.35Å; F17-I319 HydrophobicContact CZ-CG2 4.11Å |
| 18 | H | 94.9 | Very high | 94.6 | Very high | 13 Ų | 13 | 37.4 Ų | 37.4 | 6% | 0.06 | 19% | 0.187 | C | C | . | . | trans | -70.2 | 136.4 | 166.8 | -176.8 | -70.5 | 0 | 0 | 0 | 109.2 | V20 R21 W23 F59 Y80 | H18-V20 PolarHBondContact ND1-N 3.3Å; H18-V20 VanDerWaalsContact ND1-N 3.14Å; H18-V20 PolarHBondContact O-N 3.24Å; H18-R21 PolarHBondContact CE1-N 2.71Å; H18-R21 WeakPolarHBondContact ND1-CB 3.46Å; H18-R21 PolarHBondContact ND1-N 3.42Å; H18-W23 HydrophobicContact CB-CB 3.88Å; H18-W23 PolarHBondContact N-O 3.04Å; H18-F59 HydrophobicContact CB-CD2 3.99Å; H18-F59 HydrophobicContact CB-CE1 4.36Å; H18-F59 HydrophobicContact CB-CE2 3.66Å; H18-F59 HydrophobicContact CB-CG 4.44Å; H18-F59 HydrophobicContact CB-CZ 3.84Å; H18-F59 AromaticContact CD2-CE1 3.79Å; H18-Y80 AromaticContact NE2-CZ 3.95Å; H18-Y80 PolarHBondContact NE2-OH 3.16Å; H18-Y80 VanDerWaalsContact NE2-OH 3.16Å | ||
| 19 | P | 89.5 | Confident | 94.8 | Very high | 32 Ų | 32 | 32 Ų | 32 | 21% | 0.208 | 17% | 0.165 | C | C | . | . | S | Bend | trans | -66.6 | -30.1 | -170.6 | 23 | -34.8 | 0 | 0 | 0 | 115.7 | S61 | P19-S61 WeakPolarHBondContact CG-O 3.5Š|
| 20 | V | 87.6 | Confident | 94.9 | Very high | 124 Ų | 124 | 33.5 Ų | 33.5 | 75% | 0.752 | 18% | 0.175 | S | C | * | . | S | Bend | trans | -119.4 | -55.9 | -174.9 | -175.3 | 0 | 0 | 0 | 0 | 113.8 | H18 | H18-V20 PolarHBondContact ND1-N 3.3Å; H18-V20 VanDerWaalsContact ND1-N 3.14Å; H18-V20 PolarHBondContact O-N 3.24Å |
| 21 | R | 88.9 | Confident | 94.9 | Very high | 149 Ų | 149 | 31.5 Ų | 31.5 | 56% | 0.562 | 16% | 0.159 | S | C | * | . | S | Bend | trans | -65.1 | 149.4 | 174.6 | -59.7 | -66.9 | 177.3 | 162.9 | -3.4 | 111.2 | H18 W23 | H18-R21 PolarHBondContact CE1-N 2.71Å; H18-R21 WeakPolarHBondContact ND1-CB 3.46Å; H18-R21 PolarHBondContact ND1-N 3.42Å; R21-W23 HydrophobicContact CB-CD2 3.62Å; R21-W23 HydrophobicContact CB-CE3 3.96Å; R21-W23 HydrophobicContact CB-CG 3.86Å; R21-W23 HydrophobicContact CB-CZ2 4.47Å; R21-W23 HydrophobicContact CG-CD2 4.25Å; R21-W23 HydrophobicContact CG-CE3 4.24Å; R21-W23 HydrophobicContact CG-CH2 4.4Å; R21-W23 HydrophobicContact CG-CZ2 4.38Å; R21-W23 HydrophobicContact CG-CZ3 4.32Å; R21-W23 PolarHBondContact O-N 3.49Å |
| 22 | P | 89.5 | Confident | 94.9 | Very high | 31 Ų | 31 | 30.5 Ų | 30.5 | 20% | 0.201 | 16% | 0.158 | C | C | . | . | S | Bend | trans | -78.4 | 51.6 | -179 | 36.2 | -38.1 | 0 | 0 | 0 | 112.1 | Y38 R39 | P22-Y38 HydrophobicContact CB-CE1 4.47Å; P22-Y38 HydrophobicContact CB-CE2 4.02Å; P22-Y38 WeakPolarHBondContact O-CD1 3.39Å; P22-Y38 VanDerWaalsContact O-CE1 3.26Å; P22-Y38 WeakPolarHBondContact O-CE1 3.41Å; P22-Y38 PolarHBondContact O-N 3.25Å; P22-Y38 VanDerWaalsContact O-N 3.17Å; P22-R39 HydrophobicContact CB-CB 3.88Å; P22-R39 HydrophobicContact CG-CB 4.13Å |
| 23 | W | 94.7 | Very high | 94.9 | Very high | 50 Ų | 50 | 30.5 Ų | 30.5 | 19% | 0.189 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 151.5 | -171.7 | -57.5 | -16.2 | 0 | 0 | 0 | 112 | H18 R21 L35 W36 D37 I44 Y80 | H18-W23 HydrophobicContact CB-CB 3.88Å; H18-W23 PolarHBondContact N-O 3.04Å; R21-W23 HydrophobicContact CB-CD2 3.62Å; R21-W23 HydrophobicContact CB-CE3 3.96Å; R21-W23 HydrophobicContact CB-CG 3.86Å; R21-W23 HydrophobicContact CB-CZ2 4.47Å; R21-W23 HydrophobicContact CG-CD2 4.25Å; R21-W23 HydrophobicContact CG-CE3 4.24Å; R21-W23 HydrophobicContact CG-CH2 4.4Å; R21-W23 HydrophobicContact CG-CZ2 4.38Å; R21-W23 HydrophobicContact CG-CZ3 4.32Å; R21-W23 PolarHBondContact O-N 3.49Å; W23-L35 HydrophobicContact CB-CD1 4.13Å; W23-L35 HydrophobicContact CE3-CD1 4.47Å; W23-W36 CarbonylContact C-O 3.59Å; W23-W36 WeakPolarHBondContact CA-O 3.34Å; W23-D37 PolarHBondContact NE1-OD2 3.13Å; W23-I44 HydrophobicContact CD2-CD1 3.72Å; W23-I44 VanDerWaalsContact CE2-CD1 3.41Å; W23-I44 HydrophobicContact CE3-CD1 4.47Å; W23-I44 HydrophobicContact CG-CD1 3.82Å; W23-I44 HydrophobicContact CZ2-CD1 3.94Å; W23-I44 VanDerWaalsContact NE1-CD1 3.32Å; W23-Y80 HydrophobicContact CZ3-CD2 4.04Å; W23-Y80 AromaticContact CZ3-CE2 3.82Å; W23-Y80 HydrophobicContact CZ3-CE2 3.82Å |
| 24 | I | 96.8 | Very high | 94.9 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 140.8 | 172.2 | -165 | 167.2 | 0 | 0 | 0 | 109.6 | L15 S16 F17 W36 Y38 A310 M317 I319 | L15-I24 HydrophobicContact CD2-CD1 3.92Å; L15-I24 HydrophobicContact CD2-CG1 4.27Å; S16-I24 WeakPolarHBondContact O-CA 3.3Å; S16-I24 WeakPolarHBondContact O-CG1 3.41Å; F17-I24 HydrophobicContact CD1-CB 4.31Å; F17-I24 HydrophobicContact CD1-CD1 4.15Å; F17-I24 HydrophobicContact CD1-CG1 4.27Å; F17-I24 HydrophobicContact CE1-CD1 3.89Å; F17-I24 HydrophobicContact CE1-CG1 4.45Å; F17-I24 HydrophobicContact CE2-CD1 4.45Å; F17-I24 HydrophobicContact CZ-CD1 4.06Å; I24-W36 HydrophobicContact CG2-CB 3.86Å; I24-W36 PolarHBondContact N-O 3.39Å; I24-W36 PolarHBondContact O-N 2.74Å; I24-Y38 HydrophobicContact CB-CD1 4.19Å; I24-Y38 HydrophobicContact CG2-CD1 4.32Å; I24-A310 HydrophobicContact CD1-CB 3.38Å; I24-M317 HydrophobicContact CD1-SD 4.25Å; I24-M317 HydrophobicContact CG2-CE 3.88Å; I24-M317 HydrophobicContact CG2-SD 4.04Å; I24-I319 HydrophobicContact CB-CD1 4.38Å; I24-I319 HydrophobicContact CD1-CD1 3.88Å; I24-I319 HydrophobicContact CD1-CG1 4.15Å; I24-I319 HydrophobicContact CG2-CD1 3.94Å |
| 25 | L | 97.2 | Very high | 94.9 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 136.3 | 164.4 | -77.4 | 165.3 | 0 | 0 | 0 | 109.2 | L15 S16 I33 Q34 L35 I57 F59 F66 | L15-L25 WeakPolarHBondContact CA-O 3.31Å; S16-L25 PolarHBondContact N-O 2.84Å; S16-L25 PolarHBondContact O-N 2.81Å; L25-I33 HydrophobicContact CD2-CG2 3.77Å; L25-Q34 WeakPolarHBondContact CA-O 3.39Å; L25-L35 HydrophobicContact CD2-CB 4.02Å; L25-L35 HydrophobicContact CD2-CD1 3.91Å; L25-L35 HydrophobicContact CG-CD1 4.1Å; L25-I57 HydrophobicContact CB-CD1 3.72Å; L25-I57 HydrophobicContact CB-CG1 4.23Å; L25-I57 HydrophobicContact CD1-CD1 4.14Å; L25-I57 HydrophobicContact CD1-CG1 4.24Å; L25-I57 HydrophobicContact CD2-CD1 4.43Å; L25-I57 HydrophobicContact CG-CD1 4.31Å; L25-F59 HydrophobicContact CB-CE2 4.02Å; L25-F59 HydrophobicContact CB-CZ 4.48Å; L25-F59 HydrophobicContact CD1-CD1 3.89Å; L25-F59 HydrophobicContact CD1-CD2 3.74Å; L25-F59 HydrophobicContact CD1-CE1 3.62Å; L25-F59 HydrophobicContact CD1-CE2 3.49Å; L25-F59 VanDerWaalsContact CD1-CE2 3.49Å; L25-F59 HydrophobicContact CD1-CG 3.96Å; L25-F59 HydrophobicContact CD1-CZ 3.43Å; L25-F59 VanDerWaalsContact CD1-CZ 3.43Å; L25-F59 HydrophobicContact CD2-CZ 4.41Å; L25-F59 HydrophobicContact CG-CD2 4.18Å; L25-F59 HydrophobicContact CG-CE1 4.14Å; L25-F59 HydrophobicContact CG-CE2 3.47Å; L25-F59 VanDerWaalsContact CG-CE2 3.47Å; L25-F59 HydrophobicContact CG-CZ 3.46Å; L25-F59 VanDerWaalsContact CG-CZ 3.46Å; L25-F66 HydrophobicContact CD1-CB 3.54Å; L25-F66 HydrophobicContact CD1-CD1 3.83Å; L25-F66 HydrophobicContact CD1-CD2 3.75Å; L25-F66 HydrophobicContact CD1-CE1 4.44Å; L25-F66 HydrophobicContact CD1-CE2 4.37Å; L25-F66 HydrophobicContact CD1-CG 3.44Å; L25-F66 VanDerWaalsContact CD1-CG 3.44Å; L25-F66 HydrophobicContact CD2-CD1 4.47Å; L25-F66 HydrophobicContact CD2-CE1 4.3Å; L25-F66 HydrophobicContact CD2-CE2 4.45Å; L25-F66 HydrophobicContact CD2-CZ 4.29Å |
| 26 | A | 97.6 | Very high | 94.8 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 119.7 | 170.6 | 0 | 0 | 0 | 0 | 0 | 109.7 | V12 G14 L15 I33 Q34 M317 | V12-A26 HydrophobicContact CG1-CB 4.12Å; V12-A26 HydrophobicContact CG2-CB 4.29Å; G14-A26 WeakPolarHBondContact O-CA 3.27Å; L15-A26 HydrophobicContact CD2-CB 3.75Å; A26-I33 WeakPolarHBondContact O-CA 3.44Å; A26-Q34 PolarHBondContact N-O 3.2Å; A26-Q34 PolarHBondContact O-N 3.37Å; A26-M317 HydrophobicContact CB-CE 3.74Å; A26-M317 HydrophobicContact CB-SD 4Å |
| 27 | S | 97 | Very high | 94.6 | Very high | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 130.2 | 174.6 | 70.2 | 0 | 0 | 0 | 0 | 110.4 | V12 K13 G14 V54 | V12-S27 WeakPolarHBondContact CA-O 3.48Å; K13-S27 PolarHBondContact N-O 3.34Å; G14-S27 WeakPolarHBondContact CA-OG 3.42Å; G14-S27 PolarHBondContact N-O 3.47Å; G14-S27 PolarHBondContact N-OG 2.84Å; G14-S27 PolarHBondContact O-N 3.45Å; G14-S27 PolarHBondContact O-OG 2.84Å; S27-V54 VanDerWaalsContact CB-O 3.28Å; S27-V54 WeakPolarHBondContact CB-O 3.25Å; S27-V54 PolarHBondContact OG-O 3.34Å |
| 28 | L | 97 | Very high | 94.3 | Very high | 3 Ų | 3 | 31.7 Ų | 31.7 | 2% | 0.016 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 153.1 | -170.7 | -52.1 | -167.4 | 0 | 0 | 0 | 111.7 | A10 R11 V12 S30 G31 I32 Q34 V54 | A10-L28 HydrophobicContact CB-CB 4.46Å; A10-L28 HydrophobicContact CB-CD1 4.28Å; R11-L28 CarbonylContact O-C 3.49Å; R11-L28 WeakPolarHBondContact O-CA 3.37Å; V12-L28 HydrophobicContact CB-CD2 4.43Å; V12-L28 HydrophobicContact CG2-CD2 3.57Å; L28-S30 PolarHBondContact O-N 2.95Å; L28-S30 VanDerWaalsContact O-N 3.13Å; L28-G31 PolarHBondContact O-N 3.38Å; L28-I32 VanDerWaalsContact CB-O 3.22Å; L28-I32 WeakPolarHBondContact CB-O 3.19Å; L28-I32 HydrophobicContact CD1-CB 4.2Å; L28-I32 HydrophobicContact CD1-CG2 4.38Å; L28-I32 HydrophobicContact CG-CB 4.47Å; L28-I32 VanDerWaalsContact CG-O 3.3Å; L28-I32 WeakPolarHBondContact CG-O 3.46Å; L28-I32 PolarHBondContact N-O 3.33Å; L28-Q34 HydrophobicContact CD1-CG 4.23Å; L28-V54 PolarHBondContact O-N 3.48Å; L28-V54 VanDerWaalsContact O-N 3.1Å |
| 29 | H | 95.3 | Very high | 93.7 | Very high | 72 Ų | 72 | 34.7 Ų | 34.7 | 33% | 0.333 | 17% | 0.17 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.7 | -12.9 | 169.6 | -169.2 | 55 | 0 | 0 | 0 | 113.1 | R11 K13 P53 | R11-H29 HydrophobicContact CB-CB 3.85Å; R11-H29 HydrophobicContact CG-CB 4.27Å; R11-H29 PolarHBondContact NH1-NE2 3.29Å; R11-H29 WeakPolarHBondContact O-CB 3.13Å; R11-H29 PolarHBondContact O-N 3.09Å; K13-H29 HydrophobicContact CG-CB 4.39Å; H29-P53 WeakPolarHBondContact ND1-CB 3.15Å; H29-P53 WeakPolarHBondContact ND1-CG 3.46Å; H29-P53 WeakPolarHBondContact O-CA 3.34Å; H29-P53 WeakPolarHBondContact O-CG 3.39Å |
| 30 | S | 94.8 | Very high | 93.2 | Very high | 60 Ų | 60 | 38.7 Ų | 38.7 | 42% | 0.42 | 19% | 0.187 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -89.8 | 8.6 | 175.8 | 69.1 | 0 | 0 | 0 | 0 | 114.4 | L28 I32 | L28-S30 PolarHBondContact O-N 2.95Å; L28-S30 VanDerWaalsContact O-N 3.13Å; S30-I32 PolarHBondContact O-N 3.42Å |
| 31 | G | 94 | Very high | 93.1 | Very high | 2 Ų | 2 | 36 Ų | 36 | 2% | 0.021 | 18% | 0.175 | C | C | . | . | S | Bend | trans | 80.6 | -5.6 | -175.1 | 0 | 0 | 0 | 0 | 0 | 116.1 | L28 G52 | L28-G31 PolarHBondContact O-N 3.38Å; G31-G52 WeakPolarHBondContact CA-O 3.29Å; G31-G52 PolarHBondContact N-O 3.25Å |
| 32 | I | 96.7 | Very high | 93.1 | Very high | 38 Ų | 38 | 32.5 Ų | 32.5 | 20% | 0.195 | 17% | 0.169 | C | C | . | . | trans | -86.6 | 140.3 | -179.8 | -61.6 | 166.6 | 0 | 0 | 0 | 109.9 | L28 S30 Q34 K46 F47 D48 | L28-I32 VanDerWaalsContact CB-O 3.22Å; L28-I32 WeakPolarHBondContact CB-O 3.19Å; L28-I32 HydrophobicContact CD1-CB 4.2Å; L28-I32 HydrophobicContact CD1-CG2 4.38Å; L28-I32 HydrophobicContact CG-CB 4.47Å; L28-I32 VanDerWaalsContact CG-O 3.3Å; L28-I32 WeakPolarHBondContact CG-O 3.46Å; L28-I32 PolarHBondContact N-O 3.33Å; S30-I32 PolarHBondContact O-N 3.42Å; I32-Q34 HydrophobicContact CG2-CG 4.04Å; I32-K46 HydrophobicContact CG2-CD 4.22Å; I32-K46 HydrophobicContact CG2-CG 3.58Å; I32-F47 CarbonylContact C-O 3.57Å; I32-F47 WeakPolarHBondContact CA-O 3.37Å; I32-D48 HydrophobicContact CG1-CB 4.09Å | ||
| 33 | I | 97.3 | Very high | 93.3 | Very high | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 129.5 | 167.5 | -57.8 | 170.6 | 0 | 0 | 0 | 108 | L25 A26 K46 F47 V54 I57 F66 S68 W78 | L25-I33 HydrophobicContact CD2-CG2 3.77Å; A26-I33 WeakPolarHBondContact O-CA 3.44Å; I33-K46 WeakPolarHBondContact O-CA 3.38Å; I33-F47 HydrophobicContact CB-CB 4.24Å; I33-F47 HydrophobicContact CB-CD2 4.38Å; I33-F47 HydrophobicContact CG2-CD2 4.27Å; I33-F47 PolarHBondContact N-O 2.92Å; I33-F47 PolarHBondContact O-N 2.84Å; I33-V54 HydrophobicContact CD1-CG1 4.11Å; I33-V54 HydrophobicContact CG1-CB 4.46Å; I33-V54 HydrophobicContact CG1-CG1 4.13Å; I33-V54 HydrophobicContact CG1-CG2 4.46Å; I33-I57 HydrophobicContact CB-CD1 4.45Å; I33-I57 HydrophobicContact CD1-CD1 4.21Å; I33-I57 HydrophobicContact CG1-CD1 4.26Å; I33-I57 HydrophobicContact CG2-CD1 3.41Å; I33-I57 VanDerWaalsContact CG2-CD1 3.41Å; I33-F66 HydrophobicContact CD1-CE2 3.98Å; I33-F66 HydrophobicContact CG2-CE2 4.1Å; I33-F66 HydrophobicContact CG2-CZ 4.38Å; I33-S68 WeakPolarHBondContact CD1-OG 3.33Å; I33-W78 HydrophobicContact CD1-CZ2 4.12Å |
| 34 | Q | 96.6 | Very high | 93.3 | Very high | 22 Ų | 22 | 35 Ų | 35 | 10% | 0.103 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 135.2 | 178.8 | -59.7 | -177.5 | -17.9 | 0 | 0 | 111 | L25 A26 L28 I32 M43 | L25-Q34 WeakPolarHBondContact CA-O 3.39Å; A26-Q34 PolarHBondContact N-O 3.2Å; A26-Q34 PolarHBondContact O-N 3.37Å; L28-Q34 HydrophobicContact CD1-CG 4.23Å; I32-Q34 HydrophobicContact CG2-CG 4.04Å; Q34-M43 HydrophobicContact CG-CE 4.16Å; Q34-M43 HydrophobicContact CG-SD 4.5Å |
| 35 | L | 97.1 | Very high | 93.2 | Very high | 2 Ų | 2 | 36.1 Ų | 36.1 | 1% | 0.01 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 123.8 | 171.8 | 178.9 | 63.9 | 0 | 0 | 0 | 109.7 | W23 L25 I44 D45 F47 F59 | W23-L35 HydrophobicContact CB-CD1 4.13Å; W23-L35 HydrophobicContact CE3-CD1 4.47Å; L25-L35 HydrophobicContact CD2-CB 4.02Å; L25-L35 HydrophobicContact CD2-CD1 3.91Å; L25-L35 HydrophobicContact CG-CD1 4.1Å; L35-I44 HydrophobicContact CD2-CB 4.1Å; L35-I44 HydrophobicContact CD2-CD1 4.32Å; L35-I44 HydrophobicContact CD2-CG2 4.15Å; L35-I44 HydrophobicContact CG-CB 4.06Å; L35-I44 HydrophobicContact CG-CD1 4.13Å; L35-I44 HydrophobicContact CG-CG1 4.46Å; L35-I44 PolarHBondContact O-N 2.88Å; L35-D45 HydrophobicContact CB-CB 4.12Å; L35-D45 HydrophobicContact CD2-CB 4.25Å; L35-D45 PolarHBondContact N-O 3.34Å; L35-D45 PolarHBondContact O-N 3.1Å; L35-F47 HydrophobicContact CB-CE2 4.34Å; L35-F59 HydrophobicContact CD1-CZ 3.76Å |
| 36 | W | 95.8 | Very high | 93.1 | Very high | 31 Ų | 31 | 40.6 Ų | 40.6 | 12% | 0.117 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 135.7 | -175 | -72.7 | 87.9 | 0 | 0 | 0 | 112.7 | F5 S7 W23 I24 V42 M43 M317 | F5-W36 HydrophobicContact CE1-CE3 4.47Å; F5-W36 HydrophobicContact CE2-CE3 4.09Å; F5-W36 HydrophobicContact CE2-CZ3 4.31Å; F5-W36 AromaticContact CZ-CD2 3.91Å; F5-W36 HydrophobicContact CZ-CD2 3.91Å; F5-W36 AromaticContact CZ-CE3 3.48Å; F5-W36 HydrophobicContact CZ-CE3 3.48Å; F5-W36 VanDerWaalsContact CZ-CE3 3.48Å; F5-W36 HydrophobicContact CZ-CG 4.41Å; F5-W36 AromaticContact CZ-CZ3 3.9Å; F5-W36 HydrophobicContact CZ-CZ3 3.9Å; S7-W36 VanDerWaalsContact OG-CH2 3.3Å; S7-W36 WeakPolarHBondContact OG-CH2 3.45Å; S7-W36 WeakPolarHBondContact OG-CZ2 3.46Å; W23-W36 CarbonylContact C-O 3.59Å; W23-W36 WeakPolarHBondContact CA-O 3.34Å; I24-W36 HydrophobicContact CG2-CB 3.86Å; I24-W36 PolarHBondContact N-O 3.39Å; I24-W36 PolarHBondContact O-N 2.74Å; W36-V42 VanDerWaalsContact CE3-C 3.46Å; W36-M43 HydrophobicContact CD2-CB 4.02Å; W36-M43 HydrophobicContact CD2-CG 4.37Å; W36-M43 HydrophobicContact CE3-CB 3.91Å; W36-M43 VanDerWaalsContact CE3-N 3.32Å; W36-M43 HydrophobicContact CH2-CB 4.01Å; W36-M43 HydrophobicContact CH2-CE 3.96Å; W36-M43 HydrophobicContact CZ2-CB 4.1Å; W36-M43 HydrophobicContact CZ2-CE 3.34Å; W36-M43 HydrophobicContact CZ2-CG 4.41Å; W36-M43 HydrophobicContact CZ3-CB 3.91Å; W36-M317 HydrophobicContact CB-CE 4.18Å; W36-M317 HydrophobicContact CD2-CE 4.3Å; W36-M317 HydrophobicContact CG-CE 3.67Å |
| 37 | D | 92.4 | Very high | 93 | Very high | 11 Ų | 11 | 41 Ų | 41 | 6% | 0.059 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.7 | 104.8 | 160.7 | -168.3 | -58.7 | 0 | 0 | 0 | 109.3 | W23 R39 M40 S41 V42 I44 | W23-D37 PolarHBondContact NE1-OD2 3.13Å; D37-R39 VanDerWaalsContact C-N 3.26Å; D37-R39 PolarHBondContact O-N 3Å; D37-R39 WeakPolarHBondContact OD1-CA 3.05Å; D37-R39 VanDerWaalsContact OD1-CB 3.31Å; D37-R39 WeakPolarHBondContact OD1-CB 3.37Å; D37-R39 PolarHBondContact OD1-N 3.27Å; D37-M40 HydrophobicContact CB-CB 4.39Å; D37-M40 HydrophobicContact CB-CE 4.18Å; D37-M40 PolarHBondContact OD1-N 3.5Å; D37-S41 VanDerWaalsContact O-CA 3.28Å; D37-S41 WeakPolarHBondContact O-CA 3.47Å; D37-S41 PolarHBondContact O-N 3.24Å; D37-V42 PolarHBondContact N-O 2.91Å; D37-V42 PolarHBondContact O-N 3.21Å; D37-V42 VanDerWaalsContact O-N 3.13Å; D37-I44 HydrophobicContact CB-CD1 4Å; D37-I44 HydrophobicContact CB-CG1 4.14Å |
| 38 | Y | 89.3 | Confident | 92.9 | Very high | 25 Ų | 25 | 45.4 Ų | 45.4 | 10% | 0.098 | 23% | 0.233 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80 | -5.7 | -177.8 | 61.4 | -106.9 | 0 | 0 | 0 | 114 | F17 P22 I24 H303 L308 I319 | F17-Y38 HydrophobicContact CD1-CD1 4.46Å; F17-Y38 AromaticContact CD1-CE1 3.74Å; F17-Y38 HydrophobicContact CD1-CE1 3.74Å; F17-Y38 HydrophobicContact CE1-CD1 4.17Å; F17-Y38 AromaticContact CE1-CE1 3.7Å; F17-Y38 HydrophobicContact CE1-CE1 3.7Å; P22-Y38 HydrophobicContact CB-CE1 4.47Å; P22-Y38 HydrophobicContact CB-CE2 4.02Å; P22-Y38 WeakPolarHBondContact O-CD1 3.39Å; P22-Y38 VanDerWaalsContact O-CE1 3.26Å; P22-Y38 WeakPolarHBondContact O-CE1 3.41Å; P22-Y38 PolarHBondContact O-N 3.25Å; P22-Y38 VanDerWaalsContact O-N 3.17Å; I24-Y38 HydrophobicContact CB-CD1 4.19Å; I24-Y38 HydrophobicContact CG2-CD1 4.32Å; Y38-H303 PolarHBondContact OH-CD2 3.37Å; Y38-H303 PolarHBondContact OH-NE2 3.17Å; Y38-L308 HydrophobicContact CE2-CD1 3.75Å; Y38-I319 VanDerWaalsContact CB-CD1 3.4Å; Y38-I319 HydrophobicContact CD1-CD1 3.81Å; Y38-I319 HydrophobicContact CG-CD1 3.71Å |
| 39 | R | 81.8 | Confident | 92.7 | Very high | 76 Ų | 76 | 49.3 Ų | 49.3 | 29% | 0.287 | 25% | 0.251 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.4 | -40.2 | 175.4 | -179.2 | -177.3 | -175.1 | 172.4 | 1.2 | 110.4 | P22 D37 S553 N554 L571 D572 | P22-R39 HydrophobicContact CB-CB 3.88Å; P22-R39 HydrophobicContact CG-CB 4.13Å; D37-R39 VanDerWaalsContact C-N 3.26Å; D37-R39 PolarHBondContact O-N 3Å; D37-R39 WeakPolarHBondContact OD1-CA 3.05Å; D37-R39 VanDerWaalsContact OD1-CB 3.31Å; D37-R39 WeakPolarHBondContact OD1-CB 3.37Å; D37-R39 PolarHBondContact OD1-N 3.27Å; R39-S553 PolarHBondContact NH2-O 2.88Å; R39-N554 PolarHBondContact NE-OD1 2.95Å; R39-N554 PolarHBondContact NH2-OD1 2.89Å; R39-N554 VanDerWaalsContact NH2-OD1 3.14Å; R39-L571 PolarHBondContact NH2-O 3.11Å; R39-D572 PolarHBondContact NH1-O 3.11Å; R39-D572 PolarHBondContact NH2-O 3.35Å |
| 40 | M | 79.1 | Confident | 92.7 | Very high | 116 Ų | 116 | 46.4 Ų | 46.4 | 57% | 0.571 | 24% | 0.238 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -87.8 | -19.7 | 174.5 | -57.6 | -162.3 | -61.2 | 0 | 0 | 112.9 | D37 V42 | D37-M40 HydrophobicContact CB-CB 4.39Å; D37-M40 HydrophobicContact CB-CE 4.18Å; D37-M40 PolarHBondContact OD1-N 3.5Å; M40-V42 HydrophobicContact CB-CB 4.49Å; M40-V42 HydrophobicContact CB-CG2 4.11Å |
| 41 | S | 85.4 | Confident | 92.5 | Very high | 69 Ų | 69 | 50.4 Ų | 50.4 | 48% | 0.483 | 25% | 0.25 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 67.2 | 41.7 | -173.7 | -41.9 | 0 | 0 | 0 | 0 | 113.5 | D37 | D37-S41 VanDerWaalsContact O-CA 3.28Å; D37-S41 WeakPolarHBondContact O-CA 3.47Å; D37-S41 PolarHBondContact O-N 3.24Å |
| 42 | V | 90.7 | Very high | 92.5 | Very high | 75 Ų | 75 | 51.6 Ų | 51.6 | 46% | 0.455 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 136.9 | -173.7 | 176.5 | 0 | 0 | 0 | 0 | 110.2 | W36 D37 M40 | W36-V42 VanDerWaalsContact CE3-C 3.46Å; D37-V42 PolarHBondContact N-O 2.91Å; D37-V42 PolarHBondContact O-N 3.21Å; D37-V42 VanDerWaalsContact O-N 3.13Å; M40-V42 HydrophobicContact CB-CB 4.49Å; M40-V42 HydrophobicContact CB-CG2 4.11Å |
| 43 | M | 93.7 | Very high | 92.5 | Very high | 75 Ų | 75 | 50.8 Ų | 50.8 | 37% | 0.369 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75 | 124.6 | 168.6 | -170.9 | -172.2 | -62.1 | 0 | 0 | 108.5 | Q34 W36 | Q34-M43 HydrophobicContact CG-CE 4.16Å; Q34-M43 HydrophobicContact CG-SD 4.5Å; W36-M43 HydrophobicContact CD2-CB 4.02Å; W36-M43 HydrophobicContact CD2-CG 4.37Å; W36-M43 HydrophobicContact CE3-CB 3.91Å; W36-M43 VanDerWaalsContact CE3-N 3.32Å; W36-M43 HydrophobicContact CH2-CB 4.01Å; W36-M43 HydrophobicContact CH2-CE 3.96Å; W36-M43 HydrophobicContact CZ2-CB 4.1Å; W36-M43 HydrophobicContact CZ2-CE 3.34Å; W36-M43 HydrophobicContact CZ2-CG 4.41Å; W36-M43 HydrophobicContact CZ3-CB 3.91Å |
| 44 | I | 94.3 | Very high | 92.5 | Very high | 57 Ų | 57 | 50.8 Ų | 50.8 | 29% | 0.292 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.8 | -44.2 | 180 | -52.2 | 179.3 | 0 | 0 | 0 | 110.2 | W23 L35 D37 | W23-I44 HydrophobicContact CD2-CD1 3.72Å; W23-I44 VanDerWaalsContact CE2-CD1 3.41Å; W23-I44 HydrophobicContact CE3-CD1 4.47Å; W23-I44 HydrophobicContact CG-CD1 3.82Å; W23-I44 HydrophobicContact CZ2-CD1 3.94Å; W23-I44 VanDerWaalsContact NE1-CD1 3.32Å; L35-I44 HydrophobicContact CD2-CB 4.1Å; L35-I44 HydrophobicContact CD2-CD1 4.32Å; L35-I44 HydrophobicContact CD2-CG2 4.15Å; L35-I44 HydrophobicContact CG-CB 4.06Å; L35-I44 HydrophobicContact CG-CD1 4.13Å; L35-I44 HydrophobicContact CG-CG1 4.46Å; L35-I44 PolarHBondContact O-N 2.88Å; D37-I44 HydrophobicContact CB-CD1 4Å; D37-I44 HydrophobicContact CB-CG1 4.14Å |
| 45 | D | 94.9 | Very high | 92.5 | Very high | 24 Ų | 24 | 51.9 Ų | 51.9 | 13% | 0.128 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -158 | 162.9 | -169.9 | -139.9 | -18.5 | 0 | 0 | 0 | 112.9 | L35 F47 R83 | L35-D45 HydrophobicContact CB-CB 4.12Å; L35-D45 HydrophobicContact CD2-CB 4.25Å; L35-D45 PolarHBondContact N-O 3.34Å; L35-D45 PolarHBondContact O-N 3.1Å; D45-F47 HydrophobicContact CB-CE2 4.09Å; D45-F47 HydrophobicContact CB-CZ 4.19Å; D45-R83 WeakPolarHBondContact OD2-CD 3.46Å; D45-R83 WeakPolarHBondContact OD2-CG 3.41Å; D45-R83 IonicContact OD2-CZ 2.72Å; D45-R83 IonicContact OD2-NE 3.62Å; D45-R83 PolarHBondContact OD2-NE 3.47Å |
| 46 | K | 94.7 | Very high | 92.4 | Very high | 95 Ų | 95 | 51.9 Ų | 51.9 | 41% | 0.413 | 26% | 0.263 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.9 | 132.6 | -178.9 | -175.2 | -150.8 | 177.5 | -154.3 | 0 | 109.5 | I32 I33 D48 | I32-K46 HydrophobicContact CG2-CD 4.22Å; I32-K46 HydrophobicContact CG2-CG 3.58Å; I33-K46 WeakPolarHBondContact O-CA 3.38Å; K46-D48 WeakPolarHBondContact CE-OD2 3.42Å; K46-D48 IonicContact NZ-OD2 3.54Å; K46-D48 PolarHBondContact NZ-OD2 2.85Å |
| 47 | F | 96.1 | Very high | 92.5 | Very high | 7 Ų | 7 | 50.7 Ų | 50.7 | 3% | 0.031 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 133 | 176.1 | -46.6 | -98.7 | 0 | 0 | 0 | 109.3 | I32 I33 L35 D45 F66 W78 | I32-F47 CarbonylContact C-O 3.57Å; I32-F47 WeakPolarHBondContact CA-O 3.37Å; I33-F47 HydrophobicContact CB-CB 4.24Å; I33-F47 HydrophobicContact CB-CD2 4.38Å; I33-F47 HydrophobicContact CG2-CD2 4.27Å; I33-F47 PolarHBondContact N-O 2.92Å; I33-F47 PolarHBondContact O-N 2.84Å; L35-F47 HydrophobicContact CB-CE2 4.34Å; D45-F47 HydrophobicContact CB-CE2 4.09Å; D45-F47 HydrophobicContact CB-CZ 4.19Å; F47-F66 HydrophobicContact CD1-CZ 4.16Å; F47-F66 HydrophobicContact CD2-CE1 4.29Å; F47-F66 AromaticContact CD2-CZ 3.71Å; F47-F66 HydrophobicContact CD2-CZ 3.71Å; F47-F66 HydrophobicContact CE1-CE1 4.14Å; F47-F66 HydrophobicContact CE1-CZ 4.15Å; F47-F66 AromaticContact CE2-CE1 3.82Å; F47-F66 HydrophobicContact CE2-CE1 3.82Å; F47-F66 AromaticContact CE2-CZ 3.72Å; F47-F66 HydrophobicContact CE2-CZ 3.72Å; F47-F66 AromaticContact CG-CZ 3.96Å; F47-F66 HydrophobicContact CG-CZ 3.96Å; F47-F66 AromaticContact CZ-CE1 3.75Å; F47-F66 HydrophobicContact CZ-CE1 3.75Å; F47-F66 AromaticContact CZ-CZ 3.96Å; F47-F66 HydrophobicContact CZ-CZ 3.96Å; F47-W78 HydrophobicContact CB-CE3 4.08Å; F47-W78 HydrophobicContact CB-CH2 3.94Å; F47-W78 HydrophobicContact CB-CZ3 3.71Å; F47-W78 HydrophobicContact CD1-CD2 4.46Å; F47-W78 AromaticContact CD1-CE3 3.67Å; F47-W78 HydrophobicContact CD1-CE3 3.67Å; F47-W78 AromaticContact CD1-CZ3 3.97Å; F47-W78 HydrophobicContact CD1-CZ3 3.97Å; F47-W78 HydrophobicContact CE1-CE3 4.5Å; F47-W78 HydrophobicContact CG-CE3 4.17Å; F47-W78 HydrophobicContact CG-CZ3 4.26Å |
| 48 | D | 94.2 | Very high | 92.7 | Very high | 93 Ų | 93 | 51 Ų | 51 | 50% | 0.497 | 26% | 0.262 | S | S | . | . | trans | -144.6 | 29.5 | -167.7 | 52.5 | -3 | 0 | 0 | 0 | 114.6 | I32 K46 H50 | I32-D48 HydrophobicContact CG1-CB 4.09Å; K46-D48 WeakPolarHBondContact CE-OD2 3.42Å; K46-D48 IonicContact NZ-OD2 3.54Å; K46-D48 PolarHBondContact NZ-OD2 2.85Å; D48-H50 VanDerWaalsContact C-N 3.34Å; D48-H50 PolarHBondContact O-N 3.38Å | ||
| 49 | E | 92.8 | Very high | 93.1 | Very high | 85 Ų | 85 | 50.4 Ų | 50.4 | 40% | 0.397 | 26% | 0.26 | S | S | . | . | trans | -82.1 | 1 | 174.8 | -48.5 | 174.3 | -164.7 | 0 | 0 | 115.4 | K76 W78 C85 | E49-K76 HydrophobicContact CB-CD 4.31Å; E49-K76 WeakPolarHBondContact O-CE 3.32Å; E49-K76 PolarHBondContact O-NZ 2.89Å; E49-K76 IonicContact OE2-NZ 3.38Å; E49-K76 PolarHBondContact OE2-NZ 3Å; E49-W78 HydrophobicContact CB-CH2 3.68Å; E49-W78 HydrophobicContact CB-CZ3 4.34Å; E49-W78 HydrophobicContact CG-CH2 3.64Å; E49-W78 HydrophobicContact CG-CZ3 3.78Å; E49-W78 WeakPolarHBondContact OE1-CZ3 3.34Å; E49-C85 VanDerWaalsContact CD-CB 3.41Å; E49-C85 WeakPolarHBondContact OE1-CB 3.47Å; E49-C85 PolarHBondContact OE1-N 2.95Å; E49-C85 WeakPolarHBondContact OE2-CB 3.26Å | ||
| 50 | H | 94.6 | Very high | 93.7 | Very high | 11 Ų | 11 | 47.7 Ų | 47.7 | 5% | 0.051 | 25% | 0.25 | C | S | . | . | trans | -91.7 | 134 | 179.6 | -91.1 | -69.4 | 0 | 0 | 0 | 111.1 | D48 G52 V54 S68 D72 K74 W78 | D48-H50 VanDerWaalsContact C-N 3.34Å; D48-H50 PolarHBondContact O-N 3.38Å; H50-G52 PolarHBondContact O-N 3.3Å; H50-V54 HydrophobicContact CB-CG2 3.39Å; H50-V54 WeakPolarHBondContact CD2-CG2 3.2Å; H50-V54 VanDerWaalsContact CG-CG2 3.44Å; H50-S68 PolarHBondContact CD2-OG 3.27Å; H50-S68 PolarHBondContact NE2-OG 2.89Å; H50-D72 WeakPolarHBondContact CA-OD2 3.47Å; H50-D72 IonicContact CE1-OD1 3.99Å; H50-D72 PolarHBondContact CE1-OD1 2.88Å; H50-D72 IonicContact CE1-OD2 3.21Å; H50-D72 IonicContact CG-OD2 2.8Å; H50-D72 IonicContact ND1-OD1 2.72Å; H50-D72 PolarHBondContact ND1-OD1 3.41Å; H50-D72 IonicContact ND1-OD2 3.27Å; H50-D72 PolarHBondContact ND1-OD2 3.21Å; H50-K74 PolarHBondContact CE1-O 3.21Å; H50-W78 AromaticContact CD2-CZ2 3.92Å | ||
| 51 | E | 92 | Very high | 94.2 | Very high | 144 Ų | 144 | 44.9 Ų | 44.9 | 67% | 0.673 | 24% | 0.242 | S | C | * | . | S | Bend | trans | -92.6 | 79.7 | -177.4 | -68.9 | 169.2 | 144.4 | 0 | 0 | 110.7 | D72 K74 | E51-D72 HydrophobicContact CB-CB 3.94Å; E51-D72 PolarHBondContact N-OD2 3.18Å; E51-D72 VanDerWaalsContact N-OD2 3.08Å; E51-K74 IonicContact OE2-NZ 3.86Å; E51-K74 PolarHBondContact OE2-NZ 2.9Å |
| 52 | G | 92.5 | Very high | 94.5 | Very high | 27 Ų | 27 | 49.4 Ų | 49.4 | 28% | 0.278 | 26% | 0.256 | S | S | . | . | S | Bend | trans | 108.8 | -176.4 | -177.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | G31 H50 V54 | G31-G52 WeakPolarHBondContact CA-O 3.29Å; G31-G52 PolarHBondContact N-O 3.25Å; H50-G52 PolarHBondContact O-N 3.3Å; G52-V54 PolarHBondContact O-N 3.13Å |
| 53 | P | 96.6 | Very high | 94.6 | Very high | 21 Ų | 21 | 50.3 Ų | 50.3 | 14% | 0.136 | 26% | 0.255 | C | S | . | . | trans | -52.1 | 133.7 | -167 | -26.8 | 31 | 0 | 0 | 0 | 115.1 | H29 G70 D71 | H29-P53 WeakPolarHBondContact ND1-CB 3.15Å; H29-P53 WeakPolarHBondContact ND1-CG 3.46Å; H29-P53 WeakPolarHBondContact O-CA 3.34Å; H29-P53 WeakPolarHBondContact O-CG 3.39Å; P53-G70 CarbonylContact O-C 3.58Å; P53-G70 WeakPolarHBondContact O-CA 3.36Å; P53-D71 HydrophobicContact CB-CB 4.35Å; P53-D71 VanDerWaalsContact CB-OD2 3.29Å; P53-D71 WeakPolarHBondContact CB-OD2 3.49Å; P53-D71 WeakPolarHBondContact CD-OD2 3.49Å; P53-D71 HydrophobicContact CG-CB 4.37Å; P53-D71 WeakPolarHBondContact CG-OD2 3.44Å; P53-D71 PolarHBondContact O-N 2.91Å | ||
| 54 | V | 97.5 | Very high | 94.6 | Very high | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 116.6 | 173.5 | 179.9 | 0 | 0 | 0 | 0 | 109.9 | S27 L28 I33 H50 G52 | S27-V54 VanDerWaalsContact CB-O 3.28Å; S27-V54 WeakPolarHBondContact CB-O 3.25Å; S27-V54 PolarHBondContact OG-O 3.34Å; L28-V54 PolarHBondContact O-N 3.48Å; L28-V54 VanDerWaalsContact O-N 3.1Å; I33-V54 HydrophobicContact CD1-CG1 4.11Å; I33-V54 HydrophobicContact CG1-CB 4.46Å; I33-V54 HydrophobicContact CG1-CG1 4.13Å; I33-V54 HydrophobicContact CG1-CG2 4.46Å; H50-V54 HydrophobicContact CB-CG2 3.39Å; H50-V54 WeakPolarHBondContact CD2-CG2 3.2Å; H50-V54 VanDerWaalsContact CG-CG2 3.44Å; G52-V54 PolarHBondContact O-N 3.13Å |
| 55 | R | 96.9 | Very high | 94.7 | Very high | 45 Ų | 45 | 45.7 Ų | 45.7 | 17% | 0.17 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | -51 | -171.9 | -53.4 | -179.6 | -173.8 | -125.2 | 1.7 | 112.2 | K13 G14 G69 D71 R97 | K13-R55 HydrophobicContact CB-CG 4.35Å; G14-R55 WeakPolarHBondContact CA-O 3.28Å; R55-G69 PolarHBondContact N-O 3.24Å; R55-D71 WeakPolarHBondContact CD-OD1 3.43Å; R55-D71 IonicContact CZ-OD1 3.3Å; R55-D71 IonicContact CZ-OD2 3.28Å; R55-D71 IonicContact NE-OD1 2.66Å; R55-D71 PolarHBondContact NE-OD1 3.18Å; R55-D71 IonicContact NE-OD2 3.31Å; R55-D71 PolarHBondContact NE-OD2 2.83Å; R55-D71 IonicContact NH2-OD1 2.68Å; R55-D71 PolarHBondContact NH2-OD1 3.38Å; R55-D71 IonicContact NH2-OD2 2.71Å; R55-D71 PolarHBondContact NH2-OD2 3Å; R55-R97 CarbonylContact C-O 3.57Å; R55-R97 VanDerWaalsContact CB-O 3.3Å; R55-R97 WeakPolarHBondContact CB-O 3.42Å |
| 56 | G | 95.4 | Very high | 94.8 | Very high | 2 Ų | 2 | 44.5 Ų | 44.5 | 2% | 0.021 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76 | 131.2 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | S68 G69 R97 T99 | G56-S68 CarbonylContact O-C 3.54Å; G56-S68 WeakPolarHBondContact O-CA 3.27Å; G56-G69 PolarHBondContact N-O 2.76Å; G56-G69 VanDerWaalsContact N-O 3.16Å; G56-G69 PolarHBondContact O-N 3.49Å; G56-R97 PolarHBondContact N-O 3.49Å; G56-T99 WeakPolarHBondContact CA-OG1 3.41Å; G56-T99 PolarHBondContact O-OG1 3.33Å |
| 57 | I | 97.2 | Very high | 94.9 | Very high | 7 Ų | 7 | 40 Ų | 40 | 4% | 0.036 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.7 | 134 | 167.8 | -165.6 | 158.4 | 0 | 0 | 0 | 112.3 | L25 I33 F66 V67 T99 | L25-I57 HydrophobicContact CB-CD1 3.72Å; L25-I57 HydrophobicContact CB-CG1 4.23Å; L25-I57 HydrophobicContact CD1-CD1 4.14Å; L25-I57 HydrophobicContact CD1-CG1 4.24Å; L25-I57 HydrophobicContact CD2-CD1 4.43Å; L25-I57 HydrophobicContact CG-CD1 4.31Å; I33-I57 HydrophobicContact CB-CD1 4.45Å; I33-I57 HydrophobicContact CD1-CD1 4.21Å; I33-I57 HydrophobicContact CG1-CD1 4.26Å; I33-I57 HydrophobicContact CG2-CD1 3.41Å; I33-I57 VanDerWaalsContact CG2-CD1 3.41Å; I57-F66 HydrophobicContact CD1-CD2 4.38Å; I57-F66 HydrophobicContact CD1-CE2 4.49Å; I57-F66 HydrophobicContact CG1-CD2 4.41Å; I57-V67 WeakPolarHBondContact CA-O 3.4Å; I57-T99 PolarHBondContact N-OG1 2.96Å |
| 58 | C | 97.3 | Very high | 95 | Very high | 16 Ų | 16 | 39.7 Ų | 39.7 | 11% | 0.108 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.7 | 130.8 | 179.2 | -172.5 | 0 | 0 | 0 | 0 | 112.4 | F66 V67 T99 F100 F101 | C58-F66 CarbonylContact O-C 3.56Å; C58-F66 VanDerWaalsContact O-CA 3.28Å; C58-F66 WeakPolarHBondContact O-CA 3.44Å; C58-F66 WeakPolarHBondContact O-CB 3.38Å; C58-V67 HydrophobicContact CB-CG1 3.84Å; C58-V67 PolarHBondContact N-O 3.35Å; C58-V67 PolarHBondContact O-N 2.83Å; C58-T99 WeakPolarHBondContact CB-O 3.43Å; C58-F100 HydrophobicContact CB-CD1 4.19Å; C58-F101 HydrophobicContact CB-CD2 4.3Å; C58-F101 WeakPolarHBondContact O-CE2 3.36Å |
| 59 | F | 96.7 | Very high | 95.2 | Very high | 13 Ų | 13 | 35.2 Ų | 35.2 | 6% | 0.057 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.2 | 142.6 | 165.8 | -88.3 | -68.2 | 0 | 0 | 0 | 111.7 | S16 F17 H18 L25 L35 F66 Y80 | S16-F59 WeakPolarHBondContact O-CD2 3.37Å; S16-F59 WeakPolarHBondContact O-CE2 3.34Å; S16-F59 PolarHBondContact OG-N 2.85Å; F17-F59 VanDerWaalsContact C-CD2 3.47Å; H18-F59 HydrophobicContact CB-CD2 3.99Å; H18-F59 HydrophobicContact CB-CE1 4.36Å; H18-F59 HydrophobicContact CB-CE2 3.66Å; H18-F59 HydrophobicContact CB-CG 4.44Å; H18-F59 HydrophobicContact CB-CZ 3.84Å; H18-F59 AromaticContact CD2-CE1 3.79Å; L25-F59 HydrophobicContact CB-CE2 4.02Å; L25-F59 HydrophobicContact CB-CZ 4.48Å; L25-F59 HydrophobicContact CD1-CD1 3.89Å; L25-F59 HydrophobicContact CD1-CD2 3.74Å; L25-F59 HydrophobicContact CD1-CE1 3.62Å; L25-F59 HydrophobicContact CD1-CE2 3.49Å; L25-F59 VanDerWaalsContact CD1-CE2 3.49Å; L25-F59 HydrophobicContact CD1-CG 3.96Å; L25-F59 HydrophobicContact CD1-CZ 3.43Å; L25-F59 VanDerWaalsContact CD1-CZ 3.43Å; L25-F59 HydrophobicContact CD2-CZ 4.41Å; L25-F59 HydrophobicContact CG-CD2 4.18Å; L25-F59 HydrophobicContact CG-CE1 4.14Å; L25-F59 HydrophobicContact CG-CE2 3.47Å; L25-F59 VanDerWaalsContact CG-CE2 3.47Å; L25-F59 HydrophobicContact CG-CZ 3.46Å; L25-F59 VanDerWaalsContact CG-CZ 3.46Å; L35-F59 HydrophobicContact CD1-CZ 3.76Å; F59-F66 HydrophobicContact CD1-CB 4.1Å; F59-Y80 HydrophobicContact CD1-CD1 4.29Å; F59-Y80 HydrophobicContact CD1-CE1 4.07Å; F59-Y80 AromaticContact CE1-CD1 3.77Å; F59-Y80 HydrophobicContact CE1-CD1 3.77Å; F59-Y80 AromaticContact CE1-CE1 3.79Å; F59-Y80 HydrophobicContact CE1-CE1 3.79Å |
| 60 | H | 95.2 | Very high | 95.3 | Very high | 19 Ų | 19 | 31.2 Ų | 31.2 | 9% | 0.088 | 16% | 0.164 | C | C | . | . | trans | -75 | 146.4 | 164.9 | -171.6 | -69.8 | 0 | 0 | 0 | 110.6 | Q62 Q63 I65 F101 W122 | H60-Q62 PolarHBondContact ND1-N 3.3Å; H60-Q63 PolarHBondContact ND1-N 3.22Å; H60-I65 HydrophobicContact CB-CD1 4.25Å; H60-I65 HydrophobicContact CB-CG1 3.51Å; H60-I65 WeakPolarHBondContact CB-O 3.47Å; H60-I65 PolarHBondContact N-O 2.69Å; H60-F101 HydrophobicContact CB-CD2 3.94Å; H60-F101 HydrophobicContact CB-CE2 3.82Å; H60-F101 HydrophobicContact CB-CG 4.34Å; H60-F101 HydrophobicContact CB-CZ 4.14Å; H60-F101 AromaticContact CD2-CD1 3.77Å; H60-F101 AromaticContact CD2-CE1 3.9Å; H60-W122 AromaticContact NE2-CZ2 3.83Å | ||
| 61 | S | 90.3 | Very high | 95.5 | Very high | 58 Ų | 58 | 31.4 Ų | 31.4 | 41% | 0.406 | 17% | 0.165 | S | C | . | . | S | Bend | trans | -66.7 | -41.3 | -174.8 | 57.2 | 0 | 0 | 0 | 0 | 114.4 | P19 | P19-S61 WeakPolarHBondContact CG-O 3.5Š|
| 62 | Q | 90.4 | Very high | 95.6 | Very high | 164 Ų | 164 | 25.3 Ų | 25.3 | 77% | 0.766 | 14% | 0.137 | S | C | * | . | S | Bend | trans | -114.9 | -51.4 | -175.4 | -62.3 | 172.8 | -6.4 | 0 | 0 | 114.2 | H60 | H60-Q62 PolarHBondContact ND1-N 3.3Š|
| 63 | Q | 92.8 | Very high | 95.8 | Very high | 94 Ų | 94 | 28.9 Ų | 28.9 | 44% | 0.439 | 14% | 0.143 | S | C | . | . | S | Bend | trans | -70.7 | 151.7 | -177.8 | -64.2 | -60.6 | -21.3 | 0 | 0 | 113 | H60 I65 W122 | H60-Q63 PolarHBondContact ND1-N 3.22Å; Q63-I65 HydrophobicContact CB-CD1 4.17Å; Q63-I65 HydrophobicContact CB-CG1 3.98Å; Q63-I65 PolarHBondContact O-N 2.85Å; Q63-W122 HydrophobicContact CG-CH2 4.42Å |
| 64 | P | 94.4 | Very high | 95.8 | Very high | 24 Ų | 24 | 30.3 Ų | 30.3 | 16% | 0.156 | 15% | 0.147 | C | C | . | . | S | Bend | trans | -79.9 | 47 | -177.7 | 35.4 | -37.5 | 0 | 0 | 0 | 113.1 | Y80 K81 | P64-Y80 VanDerWaalsContact CA-CE1 3.44Å; P64-Y80 VanDerWaalsContact CA-CZ 3.48Å; P64-Y80 HydrophobicContact CB-CE1 4.17Å; P64-Y80 HydrophobicContact CB-CE2 4.09Å; P64-Y80 WeakPolarHBondContact O-CD1 3.5Å; P64-Y80 PolarHBondContact O-N 3.36Å; P64-K81 HydrophobicContact CB-CD 3.76Å; P64-K81 HydrophobicContact CB-CG 4.01Å; P64-K81 HydrophobicContact CG-CD 4.19Å |
| 65 | I | 95.9 | Very high | 95.8 | Very high | 10 Ų | 10 | 30.3 Ų | 30.3 | 5% | 0.051 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 157.6 | -175 | 67.8 | -179.4 | 0 | 0 | 0 | 112.1 | H60 Q63 V77 W78 N79 L86 F101 W122 | H60-I65 HydrophobicContact CB-CD1 4.25Å; H60-I65 HydrophobicContact CB-CG1 3.51Å; H60-I65 WeakPolarHBondContact CB-O 3.47Å; H60-I65 PolarHBondContact N-O 2.69Å; Q63-I65 HydrophobicContact CB-CD1 4.17Å; Q63-I65 HydrophobicContact CB-CG1 3.98Å; Q63-I65 PolarHBondContact O-N 2.85Å; I65-V77 HydrophobicContact CB-CG1 4.47Å; I65-V77 HydrophobicContact CD1-CG1 4.34Å; I65-W78 WeakPolarHBondContact CA-O 3.3Å; I65-W78 WeakPolarHBondContact CB-O 3.21Å; I65-N79 HydrophobicContact CG2-CB 4.49Å; I65-L86 HydrophobicContact CG2-CD1 3.91Å; I65-F101 HydrophobicContact CD1-CE1 4.24Å; I65-F101 HydrophobicContact CD1-CZ 4.04Å; I65-F101 HydrophobicContact CG1-CZ 4.1Å; I65-W122 HydrophobicContact CD1-CD2 4.39Å; I65-W122 HydrophobicContact CD1-CE3 4.34Å; I65-W122 HydrophobicContact CD1-CH2 4.34Å; I65-W122 HydrophobicContact CD1-CZ2 4.35Å; I65-W122 HydrophobicContact CD1-CZ3 4.32Å |
| 66 | F | 97.4 | Very high | 95.8 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 157.2 | 166.9 | 67.4 | -91.5 | 0 | 0 | 0 | 110.1 | L25 I33 F47 I57 C58 F59 W78 Y80 | L25-F66 HydrophobicContact CD1-CB 3.54Å; L25-F66 HydrophobicContact CD1-CD1 3.83Å; L25-F66 HydrophobicContact CD1-CD2 3.75Å; L25-F66 HydrophobicContact CD1-CE1 4.44Å; L25-F66 HydrophobicContact CD1-CE2 4.37Å; L25-F66 HydrophobicContact CD1-CG 3.44Å; L25-F66 VanDerWaalsContact CD1-CG 3.44Å; L25-F66 HydrophobicContact CD2-CD1 4.47Å; L25-F66 HydrophobicContact CD2-CE1 4.3Å; L25-F66 HydrophobicContact CD2-CE2 4.45Å; L25-F66 HydrophobicContact CD2-CZ 4.29Å; I33-F66 HydrophobicContact CD1-CE2 3.98Å; I33-F66 HydrophobicContact CG2-CE2 4.1Å; I33-F66 HydrophobicContact CG2-CZ 4.38Å; F47-F66 HydrophobicContact CD1-CZ 4.16Å; F47-F66 HydrophobicContact CD2-CE1 4.29Å; F47-F66 AromaticContact CD2-CZ 3.71Å; F47-F66 HydrophobicContact CD2-CZ 3.71Å; F47-F66 HydrophobicContact CE1-CE1 4.14Å; F47-F66 HydrophobicContact CE1-CZ 4.15Å; F47-F66 AromaticContact CE2-CE1 3.82Å; F47-F66 HydrophobicContact CE2-CE1 3.82Å; F47-F66 AromaticContact CE2-CZ 3.72Å; F47-F66 HydrophobicContact CE2-CZ 3.72Å; F47-F66 AromaticContact CG-CZ 3.96Å; F47-F66 HydrophobicContact CG-CZ 3.96Å; F47-F66 AromaticContact CZ-CE1 3.75Å; F47-F66 HydrophobicContact CZ-CE1 3.75Å; F47-F66 AromaticContact CZ-CZ 3.96Å; F47-F66 HydrophobicContact CZ-CZ 3.96Å; I57-F66 HydrophobicContact CD1-CD2 4.38Å; I57-F66 HydrophobicContact CD1-CE2 4.49Å; I57-F66 HydrophobicContact CG1-CD2 4.41Å; C58-F66 CarbonylContact O-C 3.56Å; C58-F66 VanDerWaalsContact O-CA 3.28Å; C58-F66 WeakPolarHBondContact O-CA 3.44Å; C58-F66 WeakPolarHBondContact O-CB 3.38Å; F59-F66 HydrophobicContact CD1-CB 4.1Å; F66-W78 HydrophobicContact CD1-CB 3.82Å; F66-W78 HydrophobicContact CD2-CB 4.04Å; F66-W78 AromaticContact CD2-CD1 3.54Å; F66-W78 AromaticContact CD2-CG 3.97Å; F66-W78 HydrophobicContact CD2-CG 3.97Å; F66-W78 HydrophobicContact CE1-CB 3.45Å; F66-W78 VanDerWaalsContact CE1-CB 3.45Å; F66-W78 HydrophobicContact CE1-CG 4.04Å; F66-W78 HydrophobicContact CE2-CB 3.68Å; F66-W78 AromaticContact CE2-CD1 3.19Å; F66-W78 HydrophobicContact CE2-CD2 4.03Å; F66-W78 AromaticContact CE2-CG 3.37Å; F66-W78 HydrophobicContact CE2-CG 3.37Å; F66-W78 AromaticContact CE2-NE1 3.72Å; F66-W78 HydrophobicContact CG-CB 4.1Å; F66-W78 HydrophobicContact CZ-CB 3.37Å; F66-W78 AromaticContact CZ-CD1 3.77Å; F66-W78 AromaticContact CZ-CD2 3.94Å; F66-W78 HydrophobicContact CZ-CD2 3.94Å; F66-W78 AromaticContact CZ-CG 3.42Å; F66-W78 HydrophobicContact CZ-CG 3.42Å; F66-W78 VanDerWaalsContact CZ-CG 3.42Å; F66-W78 PolarHBondContact N-O 3.28Å; F66-W78 VanDerWaalsContact N-O 3.1Å; F66-W78 PolarHBondContact O-N 3.33Å; F66-Y80 HydrophobicContact CD1-CD1 4.27Å |
| 67 | V | 97.6 | Very high | 95.9 | Very high | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 147.3 | 173.5 | 61.7 | 0 | 0 | 0 | 0 | 109.4 | I57 C58 V75 K76 V77 T99 F101 I108 | I57-V67 WeakPolarHBondContact CA-O 3.4Å; C58-V67 HydrophobicContact CB-CG1 3.84Å; C58-V67 PolarHBondContact N-O 3.35Å; C58-V67 PolarHBondContact O-N 2.83Å; V67-V75 HydrophobicContact CG2-CG1 3.51Å; V67-K76 CarbonylContact C-O 3.58Å; V67-K76 WeakPolarHBondContact CA-O 3.45Å; V67-V77 HydrophobicContact CG2-CG2 4.31Å; V67-T99 HydrophobicContact CG2-CG2 4.46Å; V67-F101 HydrophobicContact CB-CE2 3.81Å; V67-F101 HydrophobicContact CB-CZ 3.86Å; V67-F101 HydrophobicContact CG1-CD2 3.86Å; V67-F101 HydrophobicContact CG1-CE2 3.55Å; V67-F101 HydrophobicContact CG1-CZ 4.02Å; V67-I108 HydrophobicContact CB-CD1 4.2Å; V67-I108 HydrophobicContact CG1-CG2 4.44Å; V67-I108 HydrophobicContact CG2-CD1 3.96Å; V67-I108 HydrophobicContact CG2-CG2 4.06Å |
| 68 | S | 97.8 | Very high | 95.8 | Very high | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 154.2 | 166.2 | 59.3 | 0 | 0 | 0 | 0 | 112.1 | I33 H50 G56 V75 K76 W78 | I33-S68 WeakPolarHBondContact CD1-OG 3.33Å; H50-S68 PolarHBondContact CD2-OG 3.27Å; H50-S68 PolarHBondContact NE2-OG 2.89Å; G56-S68 CarbonylContact O-C 3.54Å; G56-S68 WeakPolarHBondContact O-CA 3.27Å; S68-V75 CarbonylContact O-C 3.5Å; S68-V75 VanDerWaalsContact O-CA 3.3Å; S68-V75 WeakPolarHBondContact O-CA 3.23Å; S68-K76 PolarHBondContact N-O 3.4Å; S68-K76 PolarHBondContact O-N 2.96Å; S68-W78 PolarHBondContact OG-NE1 2.93Å |
| 69 | G | 97.2 | Very high | 95.8 | Very high | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 131.7 | 172.5 | 0 | 0 | 0 | 0 | 0 | 110.2 | R55 G56 | R55-G69 PolarHBondContact N-O 3.24Å; G56-G69 PolarHBondContact N-O 2.76Å; G56-G69 VanDerWaalsContact N-O 3.16Å; G56-G69 PolarHBondContact O-N 3.49Å |
| 70 | G | 96.5 | Very high | 95.6 | Very high | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 173.4 | -174.5 | 0 | 0 | 0 | 0 | 0 | 115 | P53 D72 Y73 K74 V96 | P53-G70 CarbonylContact O-C 3.58Å; P53-G70 WeakPolarHBondContact O-CA 3.36Å; G70-D72 WeakPolarHBondContact CA-OD1 3.47Å; G70-D72 PolarHBondContact O-N 3.2Å; G70-Y73 PolarHBondContact O-N 3.14Å; G70-K74 PolarHBondContact N-O 3.36Å; G70-V96 PolarHBondContact O-N 2.96Å |
| 71 | D | 96.9 | Very high | 95.5 | Very high | 16 Ų | 16 | 35.3 Ų | 35.3 | 9% | 0.086 | 17% | 0.167 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.8 | -4.6 | 170.1 | -72.5 | 11.5 | 0 | 0 | 0 | 112.2 | P53 R55 Y73 Y95 | P53-D71 HydrophobicContact CB-CB 4.35Å; P53-D71 VanDerWaalsContact CB-OD2 3.29Å; P53-D71 WeakPolarHBondContact CB-OD2 3.49Å; P53-D71 WeakPolarHBondContact CD-OD2 3.49Å; P53-D71 HydrophobicContact CG-CB 4.37Å; P53-D71 WeakPolarHBondContact CG-OD2 3.44Å; P53-D71 PolarHBondContact O-N 2.91Å; R55-D71 WeakPolarHBondContact CD-OD1 3.43Å; R55-D71 IonicContact CZ-OD1 3.3Å; R55-D71 IonicContact CZ-OD2 3.28Å; R55-D71 IonicContact NE-OD1 2.66Å; R55-D71 PolarHBondContact NE-OD1 3.18Å; R55-D71 IonicContact NE-OD2 3.31Å; R55-D71 PolarHBondContact NE-OD2 2.83Å; R55-D71 IonicContact NH2-OD1 2.68Å; R55-D71 PolarHBondContact NH2-OD1 3.38Å; R55-D71 IonicContact NH2-OD2 2.71Å; R55-D71 PolarHBondContact NH2-OD2 3Å; D71-Y73 WeakPolarHBondContact O-CD1 3.45Å; D71-Y73 WeakPolarHBondContact O-CE1 3.41Å; D71-Y73 PolarHBondContact O-N 3.33Å; D71-Y95 VanDerWaalsContact CA-CD1 3.4Å; D71-Y95 HydrophobicContact CB-CD1 3.43Å; D71-Y95 VanDerWaalsContact CB-CD1 3.43Å; D71-Y95 HydrophobicContact CB-CE1 3.69Å; D71-Y95 HydrophobicContact CB-CG 4.08Å; D71-Y95 WeakPolarHBondContact O-CD1 3.44Å; D71-Y95 WeakPolarHBondContact O-CE1 3.36Å |
| 72 | D | 95.4 | Very high | 95.6 | Very high | 15 Ų | 15 | 38.4 Ų | 38.4 | 8% | 0.08 | 18% | 0.175 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.6 | 13.3 | 168.6 | 61 | -5.2 | 0 | 0 | 0 | 113.5 | H50 E51 G70 K74 | H50-D72 WeakPolarHBondContact CA-OD2 3.47Å; H50-D72 IonicContact CE1-OD1 3.99Å; H50-D72 PolarHBondContact CE1-OD1 2.88Å; H50-D72 IonicContact CE1-OD2 3.21Å; H50-D72 IonicContact CG-OD2 2.8Å; H50-D72 IonicContact ND1-OD1 2.72Å; H50-D72 PolarHBondContact ND1-OD1 3.41Å; H50-D72 IonicContact ND1-OD2 3.27Å; H50-D72 PolarHBondContact ND1-OD2 3.21Å; E51-D72 HydrophobicContact CB-CB 3.94Å; E51-D72 PolarHBondContact N-OD2 3.18Å; E51-D72 VanDerWaalsContact N-OD2 3.08Å; G70-D72 WeakPolarHBondContact CA-OD1 3.47Å; G70-D72 PolarHBondContact O-N 3.2Å; D72-K74 HydrophobicContact CB-CD 4.18Å; D72-K74 WeakPolarHBondContact O-CE 3.41Å; D72-K74 WeakPolarHBondContact O-CG 3.35Å; D72-K74 PolarHBondContact O-N 3.05Å; D72-K74 PolarHBondContact OD1-N 3.24Å |
| 73 | Y | 96.6 | Very high | 95.6 | Very high | 102 Ų | 102 | 38.4 Ų | 38.4 | 40% | 0.4 | 17% | 0.168 | S | C | . | . | S | Bend | trans | 62.1 | 6.4 | -179.4 | -38 | -37.3 | 0 | 0 | 0 | 114.6 | G70 D71 D94 Y95 | G70-Y73 PolarHBondContact O-N 3.14Å; D71-Y73 WeakPolarHBondContact O-CD1 3.45Å; D71-Y73 WeakPolarHBondContact O-CE1 3.41Å; D71-Y73 PolarHBondContact O-N 3.33Å; Y73-D94 WeakPolarHBondContact CD1-O 3.47Å; Y73-D94 VanDerWaalsContact CE1-CA 3.47Å; Y73-Y95 HydrophobicContact CD1-CD1 4.09Å; Y73-Y95 AromaticContact CE1-CD1 3.55Å; Y73-Y95 HydrophobicContact CE1-CD1 3.55Å; Y73-Y95 AromaticContact CE1-CE1 3.83Å; Y73-Y95 HydrophobicContact CE1-CE1 3.83Å |
| 74 | K | 96.4 | Very high | 95.6 | Very high | 51 Ų | 51 | 40.9 Ų | 40.9 | 22% | 0.222 | 17% | 0.173 | C | C | . | . | trans | -96.3 | 141.1 | -174.3 | -69.2 | 159.6 | -152.2 | 162.5 | 0 | 110.5 | H50 E51 G70 D72 T88 L90 | H50-K74 PolarHBondContact CE1-O 3.21Å; E51-K74 IonicContact OE2-NZ 3.86Å; E51-K74 PolarHBondContact OE2-NZ 2.9Å; G70-K74 PolarHBondContact N-O 3.36Å; D72-K74 HydrophobicContact CB-CD 4.18Å; D72-K74 WeakPolarHBondContact O-CE 3.41Å; D72-K74 WeakPolarHBondContact O-CG 3.35Å; D72-K74 PolarHBondContact O-N 3.05Å; D72-K74 PolarHBondContact OD1-N 3.24Å; K74-T88 HydrophobicContact CB-CG2 3.67Å; K74-T88 HydrophobicContact CD-CG2 4.38Å; K74-T88 HydrophobicContact CG-CG2 3.83Å; K74-L90 HydrophobicContact CG-CD2 3.75Å | ||
| 75 | V | 97.2 | Very high | 95.6 | Very high | 1 Ų | 1 | 40.7 Ų | 40.7 | 1% | 0.006 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 106.2 | 166 | 175.4 | 0 | 0 | 0 | 0 | 108.3 | V67 S68 L89 V96 T99 | V67-V75 HydrophobicContact CG2-CG1 3.51Å; S68-V75 CarbonylContact O-C 3.5Å; S68-V75 VanDerWaalsContact O-CA 3.3Å; S68-V75 WeakPolarHBondContact O-CA 3.23Å; V75-L89 HydrophobicContact CB-CB 4.16Å; V75-L89 HydrophobicContact CG1-CD1 4.22Å; V75-L89 PolarHBondContact N-O 3.43Å; V75-L89 VanDerWaalsContact N-O 3.11Å; V75-L89 PolarHBondContact O-N 3.4Å; V75-V96 HydrophobicContact CG2-CG1 4.05Å; V75-V96 HydrophobicContact CG2-CG2 4.14Å; V75-T99 HydrophobicContact CG1-CG2 4.27Å; V75-T99 HydrophobicContact CG2-CG2 4.21Å |
| 76 | K | 96.9 | Very high | 95.5 | Very high | 16 Ų | 16 | 43.4 Ų | 43.4 | 7% | 0.07 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 138.1 | -178 | -72.5 | 179.2 | -179.7 | -90.7 | 0 | 111 | E49 V67 S68 W78 T88 | E49-K76 HydrophobicContact CB-CD 4.31Å; E49-K76 WeakPolarHBondContact O-CE 3.32Å; E49-K76 PolarHBondContact O-NZ 2.89Å; E49-K76 IonicContact OE2-NZ 3.38Å; E49-K76 PolarHBondContact OE2-NZ 3Å; V67-K76 CarbonylContact C-O 3.58Å; V67-K76 WeakPolarHBondContact CA-O 3.45Å; S68-K76 PolarHBondContact N-O 3.4Å; S68-K76 PolarHBondContact O-N 2.96Å; K76-W78 HydrophobicContact CB-CZ2 3.93Å; K76-W78 HydrophobicContact CD-CH2 3.98Å; K76-W78 HydrophobicContact CD-CZ2 3.46Å; K76-W78 VanDerWaalsContact CD-CZ2 3.46Å; K76-W78 HydrophobicContact CG-CZ2 4.35Å; K76-T88 HydrophobicContact CG-CG2 4.04Å |
| 77 | V | 97 | Very high | 95.4 | Very high | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 127 | 171.8 | -178.9 | 0 | 0 | 0 | 0 | 109 | I65 V67 L86 F87 L89 I108 | I65-V77 HydrophobicContact CB-CG1 4.47Å; I65-V77 HydrophobicContact CD1-CG1 4.34Å; V67-V77 HydrophobicContact CG2-CG2 4.31Å; V77-L86 WeakPolarHBondContact O-CB 3.41Å; V77-L86 PolarHBondContact O-N 2.73Å; V77-F87 HydrophobicContact CB-CD2 4.19Å; V77-F87 HydrophobicContact CB-CE1 4.39Å; V77-F87 HydrophobicContact CB-CE2 3.74Å; V77-F87 HydrophobicContact CB-CZ 3.84Å; V77-F87 HydrophobicContact CG1-CE1 4.4Å; V77-F87 HydrophobicContact CG1-CE2 4.35Å; V77-F87 HydrophobicContact CG1-CZ 3.96Å; V77-F87 HydrophobicContact CG2-CD2 4.26Å; V77-F87 HydrophobicContact CG2-CE2 3.59Å; V77-F87 HydrophobicContact CG2-CZ 4.01Å; V77-F87 PolarHBondContact N-O 3.38Å; V77-F87 PolarHBondContact O-N 2.69Å; V77-L89 HydrophobicContact CG2-CD1 4.44Å; V77-I108 HydrophobicContact CG2-CD1 3.77Å |
| 78 | W | 96.8 | Very high | 95.3 | Very high | 2 Ų | 2 | 47.4 Ų | 47.4 | 1% | 0.008 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 154.5 | -168.2 | -53.3 | 82.5 | 0 | 0 | 0 | 111.6 | I33 F47 E49 H50 I65 F66 S68 K76 C85 | I33-W78 HydrophobicContact CD1-CZ2 4.12Å; F47-W78 HydrophobicContact CB-CE3 4.08Å; F47-W78 HydrophobicContact CB-CH2 3.94Å; F47-W78 HydrophobicContact CB-CZ3 3.71Å; F47-W78 HydrophobicContact CD1-CD2 4.46Å; F47-W78 AromaticContact CD1-CE3 3.67Å; F47-W78 HydrophobicContact CD1-CE3 3.67Å; F47-W78 AromaticContact CD1-CZ3 3.97Å; F47-W78 HydrophobicContact CD1-CZ3 3.97Å; F47-W78 HydrophobicContact CE1-CE3 4.5Å; F47-W78 HydrophobicContact CG-CE3 4.17Å; F47-W78 HydrophobicContact CG-CZ3 4.26Å; E49-W78 HydrophobicContact CB-CH2 3.68Å; E49-W78 HydrophobicContact CB-CZ3 4.34Å; E49-W78 HydrophobicContact CG-CH2 3.64Å; E49-W78 HydrophobicContact CG-CZ3 3.78Å; E49-W78 WeakPolarHBondContact OE1-CZ3 3.34Å; H50-W78 AromaticContact CD2-CZ2 3.92Å; I65-W78 WeakPolarHBondContact CA-O 3.3Å; I65-W78 WeakPolarHBondContact CB-O 3.21Å; F66-W78 HydrophobicContact CD1-CB 3.82Å; F66-W78 HydrophobicContact CD2-CB 4.04Å; F66-W78 AromaticContact CD2-CD1 3.54Å; F66-W78 AromaticContact CD2-CG 3.97Å; F66-W78 HydrophobicContact CD2-CG 3.97Å; F66-W78 HydrophobicContact CE1-CB 3.45Å; F66-W78 VanDerWaalsContact CE1-CB 3.45Å; F66-W78 HydrophobicContact CE1-CG 4.04Å; F66-W78 HydrophobicContact CE2-CB 3.68Å; F66-W78 AromaticContact CE2-CD1 3.19Å; F66-W78 HydrophobicContact CE2-CD2 4.03Å; F66-W78 AromaticContact CE2-CG 3.37Å; F66-W78 HydrophobicContact CE2-CG 3.37Å; F66-W78 AromaticContact CE2-NE1 3.72Å; F66-W78 HydrophobicContact CG-CB 4.1Å; F66-W78 HydrophobicContact CZ-CB 3.37Å; F66-W78 AromaticContact CZ-CD1 3.77Å; F66-W78 AromaticContact CZ-CD2 3.94Å; F66-W78 HydrophobicContact CZ-CD2 3.94Å; F66-W78 AromaticContact CZ-CG 3.42Å; F66-W78 HydrophobicContact CZ-CG 3.42Å; F66-W78 VanDerWaalsContact CZ-CG 3.42Å; F66-W78 PolarHBondContact N-O 3.28Å; F66-W78 VanDerWaalsContact N-O 3.1Å; F66-W78 PolarHBondContact O-N 3.33Å; S68-W78 PolarHBondContact OG-NE1 2.93Å; K76-W78 HydrophobicContact CB-CZ2 3.93Å; K76-W78 HydrophobicContact CD-CH2 3.98Å; K76-W78 HydrophobicContact CD-CZ2 3.46Å; K76-W78 VanDerWaalsContact CD-CZ2 3.46Å; K76-W78 HydrophobicContact CG-CZ2 4.35Å; W78-C85 HydrophobicContact CD2-CB 4.25Å; W78-C85 HydrophobicContact CE3-CB 3.77Å; W78-C85 HydrophobicContact CH2-CB 4.48Å; W78-C85 HydrophobicContact CZ3-CB 3.88Å |
| 79 | N | 95.6 | Very high | 95.2 | Very high | 14 Ų | 14 | 47.7 Ų | 47.7 | 8% | 0.075 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 113 | 168.4 | -173.4 | -54 | 0 | 0 | 0 | 110.2 | I65 K81 H82 R83 R84 L86 | I65-N79 HydrophobicContact CG2-CB 4.49Å; N79-K81 VanDerWaalsContact C-N 3.28Å; N79-K81 PolarHBondContact O-N 2.9Å; N79-K81 WeakPolarHBondContact OD1-CA 3.17Å; N79-K81 WeakPolarHBondContact OD1-CB 3.27Å; N79-K81 PolarHBondContact OD1-N 2.86Å; N79-H82 HydrophobicContact CB-CB 4.35Å; N79-H82 VanDerWaalsContact CG-CD2 3.49Å; N79-H82 PolarHBondContact ND2-CD2 3.17Å; N79-H82 PolarHBondContact O-N 2.98Å; N79-H82 PolarHBondContact OD1-N 3.28Å; N79-R83 PolarHBondContact O-N 3.49Å; N79-R84 PolarHBondContact N-O 3.27Å; N79-R84 PolarHBondContact O-N 2.96Å; N79-L86 HydrophobicContact CB-CD1 4.01Å; N79-L86 HydrophobicContact CB-CD2 3.77Å; N79-L86 HydrophobicContact CB-CG 3.85Å |
| 80 | Y | 93.4 | Very high | 95.1 | Very high | 29 Ų | 29 | 53.4 Ų | 53.4 | 11% | 0.114 | 24% | 0.24 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.3 | -10.9 | -176 | 63.6 | -108.5 | 0 | 0 | 0 | 114 | H18 W23 F59 P64 F66 | H18-Y80 AromaticContact NE2-CZ 3.95Å; H18-Y80 PolarHBondContact NE2-OH 3.16Å; H18-Y80 VanDerWaalsContact NE2-OH 3.16Å; W23-Y80 HydrophobicContact CZ3-CD2 4.04Å; W23-Y80 AromaticContact CZ3-CE2 3.82Å; W23-Y80 HydrophobicContact CZ3-CE2 3.82Å; F59-Y80 HydrophobicContact CD1-CD1 4.29Å; F59-Y80 HydrophobicContact CD1-CE1 4.07Å; F59-Y80 AromaticContact CE1-CD1 3.77Å; F59-Y80 HydrophobicContact CE1-CD1 3.77Å; F59-Y80 AromaticContact CE1-CE1 3.79Å; F59-Y80 HydrophobicContact CE1-CE1 3.79Å; P64-Y80 VanDerWaalsContact CA-CE1 3.44Å; P64-Y80 VanDerWaalsContact CA-CZ 3.48Å; P64-Y80 HydrophobicContact CB-CE1 4.17Å; P64-Y80 HydrophobicContact CB-CE2 4.09Å; P64-Y80 WeakPolarHBondContact O-CD1 3.5Å; P64-Y80 PolarHBondContact O-N 3.36Å; F66-Y80 HydrophobicContact CD1-CD1 4.27Å |
| 81 | K | 92.6 | Very high | 94.8 | Very high | 146 Ų | 146 | 54.8 Ų | 54.8 | 64% | 0.635 | 25% | 0.254 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.5 | -39 | 170.6 | -70.2 | -179.5 | 176.3 | 179.9 | 0 | 111.6 | P64 N79 | P64-K81 HydrophobicContact CB-CD 3.76Å; P64-K81 HydrophobicContact CB-CG 4.01Å; P64-K81 HydrophobicContact CG-CD 4.19Å; N79-K81 VanDerWaalsContact C-N 3.28Å; N79-K81 PolarHBondContact O-N 2.9Å; N79-K81 WeakPolarHBondContact OD1-CA 3.17Å; N79-K81 WeakPolarHBondContact OD1-CB 3.27Å; N79-K81 PolarHBondContact OD1-N 2.86Å |
| 82 | H | 92.4 | Very high | 94.8 | Very high | 122 Ų | 122 | 54.5 Ų | 54.5 | 57% | 0.565 | 25% | 0.252 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.4 | -2.5 | 178.4 | -61.6 | -56.2 | 0 | 0 | 0 | 114 | N79 R84 | N79-H82 HydrophobicContact CB-CB 4.35Å; N79-H82 VanDerWaalsContact CG-CD2 3.49Å; N79-H82 PolarHBondContact ND2-CD2 3.17Å; N79-H82 PolarHBondContact O-N 2.98Å; N79-H82 PolarHBondContact OD1-N 3.28Å; H82-R84 VanDerWaalsContact C-N 3.32Å; H82-R84 HydrophobicContact CB-CG 4.11Å; H82-R84 PolarHBondContact O-N 2.85Å |
| 83 | R | 91.7 | Very high | 94.8 | Very high | 164 Ų | 164 | 60.2 Ų | 60.2 | 62% | 0.619 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.6 | 38.5 | 175.6 | -47.2 | -167 | 177.3 | -168.4 | -0.3 | 114.5 | D45 N79 | D45-R83 WeakPolarHBondContact OD2-CD 3.46Å; D45-R83 WeakPolarHBondContact OD2-CG 3.41Å; D45-R83 IonicContact OD2-CZ 2.72Å; D45-R83 IonicContact OD2-NE 3.62Å; D45-R83 PolarHBondContact OD2-NE 3.47Å; N79-R83 PolarHBondContact O-N 3.49Å |
| 84 | R | 92.2 | Very high | 94.8 | Very high | 146 Ų | 146 | 57.4 Ų | 57.4 | 55% | 0.551 | 27% | 0.274 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -146.5 | 156.4 | -177 | 65.6 | 177.3 | -176.5 | -179.8 | 0.3 | 113.1 | N79 H82 | N79-R84 PolarHBondContact N-O 3.27Å; N79-R84 PolarHBondContact O-N 2.96Å; H82-R84 VanDerWaalsContact C-N 3.32Å; H82-R84 HydrophobicContact CB-CG 4.11Å; H82-R84 PolarHBondContact O-N 2.85Å |
| 85 | C | 94.2 | Very high | 94.9 | Very high | 20 Ų | 20 | 59.2 Ų | 59.2 | 14% | 0.135 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.9 | 139 | 159.8 | -173.2 | 0 | 0 | 0 | 0 | 109.7 | E49 W78 F87 | E49-C85 VanDerWaalsContact CD-CB 3.41Å; E49-C85 WeakPolarHBondContact OE1-CB 3.47Å; E49-C85 PolarHBondContact OE1-N 2.95Å; E49-C85 WeakPolarHBondContact OE2-CB 3.26Å; W78-C85 HydrophobicContact CD2-CB 4.25Å; W78-C85 HydrophobicContact CE3-CB 3.77Å; W78-C85 HydrophobicContact CH2-CB 4.48Å; W78-C85 HydrophobicContact CZ3-CB 3.88Å; C85-F87 PolarHBondContact SG-O 2.95Å |
| 86 | L | 94.2 | Very high | 94.9 | Very high | 68 Ų | 68 | 59.2 Ų | 59.2 | 36% | 0.356 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | -43.9 | 173.9 | -66.8 | -179.1 | 0 | 0 | 0 | 111.2 | I65 V77 N79 | I65-L86 HydrophobicContact CG2-CD1 3.91Å; V77-L86 WeakPolarHBondContact O-CB 3.41Å; V77-L86 PolarHBondContact O-N 2.73Å; N79-L86 HydrophobicContact CB-CD1 4.01Å; N79-L86 HydrophobicContact CB-CD2 3.77Å; N79-L86 HydrophobicContact CB-CG 3.85Å |
| 87 | F | 94.6 | Very high | 94.9 | Very high | 32 Ų | 32 | 60.5 Ų | 60.5 | 14% | 0.14 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -166.1 | 158.4 | 177.5 | 50.4 | -92.9 | 0 | 0 | 0 | 110.4 | V77 C85 L89 W122 R125 | V77-F87 HydrophobicContact CB-CD2 4.19Å; V77-F87 HydrophobicContact CB-CE1 4.39Å; V77-F87 HydrophobicContact CB-CE2 3.74Å; V77-F87 HydrophobicContact CB-CZ 3.84Å; V77-F87 HydrophobicContact CG1-CE1 4.4Å; V77-F87 HydrophobicContact CG1-CE2 4.35Å; V77-F87 HydrophobicContact CG1-CZ 3.96Å; V77-F87 HydrophobicContact CG2-CD2 4.26Å; V77-F87 HydrophobicContact CG2-CE2 3.59Å; V77-F87 HydrophobicContact CG2-CZ 4.01Å; V77-F87 PolarHBondContact N-O 3.38Å; V77-F87 PolarHBondContact O-N 2.69Å; C85-F87 PolarHBondContact SG-O 2.95Å; F87-L89 HydrophobicContact CD2-CD2 3.98Å; F87-L89 HydrophobicContact CD2-CG 4.22Å; F87-L89 HydrophobicContact CE2-CD2 3.99Å; F87-L89 HydrophobicContact CE2-CG 4.21Å; F87-W122 HydrophobicContact CE2-CB 4.5Å; F87-W122 HydrophobicContact CZ-CB 4.24Å; F87-W122 WeakPolarHBondContact CZ-O 3.37Å; F87-R125 HydrophobicContact CD2-CG 4.21Å; F87-R125 HydrophobicContact CE2-CG 4.18Å; F87-R125 HydrophobicContact CG-CG 4.41Å; F87-R125 HydrophobicContact CZ-CG 4.36Å |
| 88 | T | 96.4 | Very high | 95 | Very high | 52 Ų | 52 | 60.7 Ų | 60.7 | 32% | 0.319 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 132.8 | 173.3 | -53.6 | 0 | 0 | 0 | 0 | 109 | K74 K76 L90 | K74-T88 HydrophobicContact CB-CG2 3.67Å; K74-T88 HydrophobicContact CD-CG2 4.38Å; K74-T88 HydrophobicContact CG-CG2 3.83Å; K76-T88 HydrophobicContact CG-CG2 4.04Å; T88-L90 HydrophobicContact CG2-CD2 3.9Å; T88-L90 HydrophobicContact CG2-CG 4.41Å |
| 89 | L | 95.4 | Very high | 95 | Very high | 5 Ų | 5 | 60.7 Ų | 60.7 | 3% | 0.026 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 129.4 | 171 | -56.5 | 171.7 | 0 | 0 | 0 | 107.9 | V75 V77 F87 I108 W120 R125 | V75-L89 HydrophobicContact CB-CB 4.16Å; V75-L89 HydrophobicContact CG1-CD1 4.22Å; V75-L89 PolarHBondContact N-O 3.43Å; V75-L89 VanDerWaalsContact N-O 3.11Å; V75-L89 PolarHBondContact O-N 3.4Å; V77-L89 HydrophobicContact CG2-CD1 4.44Å; F87-L89 HydrophobicContact CD2-CD2 3.98Å; F87-L89 HydrophobicContact CD2-CG 4.22Å; F87-L89 HydrophobicContact CE2-CD2 3.99Å; F87-L89 HydrophobicContact CE2-CG 4.21Å; L89-I108 HydrophobicContact CD1-CD1 4.18Å; L89-W120 HydrophobicContact CB-CD2 4.21Å; L89-W120 HydrophobicContact CB-CE3 3.9Å; L89-W120 HydrophobicContact CB-CZ3 4.07Å; L89-W120 HydrophobicContact CD1-CB 3.83Å; L89-W120 HydrophobicContact CD1-CD2 4.08Å; L89-W120 HydrophobicContact CD1-CE3 4.26Å; L89-W120 HydrophobicContact CD1-CG 3.89Å; L89-W120 HydrophobicContact CD2-CE3 4.42Å; L89-W120 HydrophobicContact CG-CE3 4.42Å; L89-R125 HydrophobicContact CD2-CB 4.07Å; L89-R125 VanDerWaalsContact CD2-O 3.3Å; L89-R125 WeakPolarHBondContact CD2-O 3.44Å |
| 90 | L | 95 | Very high | 95.1 | Very high | 121 Ų | 121 | 62 Ų | 62 | 63% | 0.634 | 29% | 0.291 | S | S | * | . | trans | -119.8 | 143.9 | -175.3 | -62.9 | 176 | 0 | 0 | 0 | 110 | K74 T88 W120 | K74-L90 HydrophobicContact CG-CD2 3.75Å; T88-L90 HydrophobicContact CG2-CD2 3.9Å; T88-L90 HydrophobicContact CG2-CG 4.41Å; L90-W120 VanDerWaalsContact O-CH2 3.27Å; L90-W120 WeakPolarHBondContact O-CH2 3.36Å; L90-W120 WeakPolarHBondContact O-CZ3 3.4Å | ||
| 91 | G | 90.3 | Very high | 95.2 | Very high | 28 Ų | 28 | 61.5 Ų | 61.5 | 29% | 0.289 | 29% | 0.289 | S | S | . | . | trans | 151.9 | -20.5 | 170.7 | 0 | 0 | 0 | 0 | 0 | 115 | R118 | G91-R118 VanDerWaalsContact C-CZ 3.44Å; G91-R118 PolarHBondContact O-NH1 2.98Å; G91-R118 PolarHBondContact O-NH2 3.12Å | ||
| 92 | H | 96.2 | Very high | 95.3 | Very high | 10 Ų | 10 | 55.2 Ų | 55.2 | 5% | 0.046 | 26% | 0.262 | C | S | . | . | trans | -64.8 | 146.7 | 165.3 | -82.4 | -59 | 0 | 0 | 0 | 110.3 | V96 S110 S112 D114 | H92-V96 HydrophobicContact CB-CG2 4.16Å; H92-S110 PolarHBondContact CD2-OG 3.4Å; H92-S110 PolarHBondContact NE2-OG 3.46Å; H92-S112 VanDerWaalsContact CE1-CB 3.41Å; H92-S112 WeakPolarHBondContact CE1-CB 3.28Å; H92-S112 WeakPolarHBondContact ND1-CB 3.13Å; H92-D114 WeakPolarHBondContact CA-OD2 3.42Å; H92-D114 IonicContact CE1-OD1 2.9Å; H92-D114 IonicContact CE1-OD2 2.74Å; H92-D114 IonicContact CG-OD2 3.16Å; H92-D114 IonicContact ND1-OD1 2.61Å; H92-D114 PolarHBondContact ND1-OD1 3.24Å; H92-D114 IonicContact ND1-OD2 2.75Å; H92-D114 PolarHBondContact ND1-OD2 2.86Å | ||
| 93 | L | 96.1 | Very high | 95.1 | Very high | 136 Ų | 136 | 55.6 Ų | 55.6 | 71% | 0.712 | 26% | 0.262 | S | S | * | . | S | Bend | trans | -105.5 | -7.8 | -176 | -58.1 | 179.5 | 0 | 0 | 0 | 113.6 | D114 | L93-D114 HydrophobicContact CB-CB 4.03Å; L93-D114 PolarHBondContact N-OD2 3.33Å |
| 94 | D | 96.9 | Very high | 95 | Very high | 43 Ų | 43 | 54.3 Ų | 54.3 | 23% | 0.23 | 26% | 0.263 | C | S | . | . | S | Bend | trans | -150.2 | 177.8 | -179.5 | -151.9 | -22.6 | 0 | 0 | 0 | 110.5 | Y73 V96 S112 D113 D114 | Y73-D94 WeakPolarHBondContact CD1-O 3.47Å; Y73-D94 VanDerWaalsContact CE1-CA 3.47Å; D94-V96 PolarHBondContact O-N 2.82Å; D94-S112 PolarHBondContact O-OG 3Å; D94-D113 HydrophobicContact CB-CB 3.77Å; D94-D114 HydrophobicContact CB-CB 4.13Å |
| 95 | Y | 97.4 | Very high | 94.9 | Very high | 89 Ų | 89 | 49.5 Ų | 49.5 | 35% | 0.349 | 25% | 0.245 | S | C | . | . | trans | -48.7 | 130.5 | -169.4 | -58.8 | -31.2 | 0 | 0 | 0 | 113.8 | D71 Y73 R97 S112 D113 | D71-Y95 VanDerWaalsContact CA-CD1 3.4Å; D71-Y95 HydrophobicContact CB-CD1 3.43Å; D71-Y95 VanDerWaalsContact CB-CD1 3.43Å; D71-Y95 HydrophobicContact CB-CE1 3.69Å; D71-Y95 HydrophobicContact CB-CG 4.08Å; D71-Y95 WeakPolarHBondContact O-CD1 3.44Å; D71-Y95 WeakPolarHBondContact O-CE1 3.36Å; Y73-Y95 HydrophobicContact CD1-CD1 4.09Å; Y73-Y95 AromaticContact CE1-CD1 3.55Å; Y73-Y95 HydrophobicContact CE1-CD1 3.55Å; Y73-Y95 AromaticContact CE1-CE1 3.83Å; Y73-Y95 HydrophobicContact CE1-CE1 3.83Å; Y95-R97 PolarHBondContact O-N 3.11Å; Y95-S112 CarbonylContact O-C 3.53Å; Y95-S112 WeakPolarHBondContact O-CA 3.25Å; Y95-S112 PolarHBondContact O-OG 2.96Å; Y95-D113 WeakPolarHBondContact CD2-OD2 3.44Å; Y95-D113 PolarHBondContact O-N 3.08Å | ||
| 96 | V | 97.9 | Very high | 94.9 | Very high | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87 | 110.4 | 178.1 | -174.3 | 0 | 0 | 0 | 0 | 110 | G70 V75 H92 D94 T99 A111 | G70-V96 PolarHBondContact O-N 2.96Å; V75-V96 HydrophobicContact CG2-CG1 4.05Å; V75-V96 HydrophobicContact CG2-CG2 4.14Å; H92-V96 HydrophobicContact CB-CG2 4.16Å; D94-V96 PolarHBondContact O-N 2.82Å; V96-T99 HydrophobicContact CG1-CG2 3.77Å; V96-A111 CarbonylContact C-O 3.56Å |
| 97 | R | 97.3 | Very high | 94.9 | Very high | 43 Ų | 43 | 46.7 Ų | 46.7 | 16% | 0.162 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.4 | -44 | -172.5 | -64.3 | -63.1 | -177 | 132.6 | -4.4 | 113.9 | R55 G56 Y95 A111 D113 M139 | R55-R97 CarbonylContact C-O 3.57Å; R55-R97 VanDerWaalsContact CB-O 3.3Å; R55-R97 WeakPolarHBondContact CB-O 3.42Å; G56-R97 PolarHBondContact N-O 3.49Å; Y95-R97 PolarHBondContact O-N 3.11Å; R97-A111 PolarHBondContact N-O 2.79Å; R97-D113 VanDerWaalsContact CG-OD1 3.3Å; R97-D113 WeakPolarHBondContact CG-OD1 3.47Å; R97-D113 IonicContact CZ-OD1 3.78Å; R97-D113 VanDerWaalsContact CZ-OD1 3.28Å; R97-D113 IonicContact CZ-OD2 3.72Å; R97-D113 VanDerWaalsContact CZ-OD2 3.3Å; R97-D113 VanDerWaalsContact NE-CG 3.29Å; R97-D113 IonicContact NE-OD1 3.87Å; R97-D113 PolarHBondContact NE-OD1 3.29Å; R97-D113 IonicContact NE-OD2 3.64Å; R97-D113 PolarHBondContact NE-OD2 3.5Å; R97-D113 VanDerWaalsContact NE-OD2 3.14Å; R97-D113 IonicContact NH2-OD1 2.9Å; R97-D113 PolarHBondContact NH2-OD1 2.89Å; R97-D113 IonicContact NH2-OD2 3.3Å; R97-D113 PolarHBondContact NH2-OD2 2.92Å; R97-M139 WeakPolarHBondContact CB-O 3.36Å; R97-M139 HydrophobicContact CG-SD 4.37Å; R97-M139 PolarHBondContact NH1-SD 3.38Å |
| 98 | T | 97.5 | Very high | 95.1 | Very high | 5 Ų | 5 | 45.2 Ų | 45.2 | 3% | 0.031 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.1 | 151.9 | 178.3 | 49 | 0 | 0 | 0 | 0 | 111.7 | F100 S110 A111 M139 C140 A141 W213 | T98-F100 HydrophobicContact CG2-CE2 4.17Å; T98-S110 VanDerWaalsContact O-CA 3.26Å; T98-S110 WeakPolarHBondContact O-CA 3.46Å; T98-A111 PolarHBondContact O-N 3.03Å; T98-A111 VanDerWaalsContact O-N 3.12Å; T98-A111 WeakPolarHBondContact OG1-CB 3.48Å; T98-M139 WeakPolarHBondContact CG2-O 3.48Å; T98-C140 HydrophobicContact CG2-CB 4.2Å; T98-C140 WeakPolarHBondContact OG1-CA 3.47Å; T98-A141 PolarHBondContact OG1-N 2.96Å; T98-A141 VanDerWaalsContact OG1-N 3.12Å; T98-W213 HydrophobicContact CG2-CH2 4.06Å; T98-W213 HydrophobicContact CG2-CZ3 3.85Å |
| 99 | T | 97.4 | Very high | 95.1 | Very high | 1 Ų | 1 | 42.8 Ų | 42.8 | 1% | 0.006 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.8 | 130.8 | 172 | 55.6 | 0 | 0 | 0 | 0 | 110 | G56 I57 C58 V67 V75 V96 V109 | G56-T99 WeakPolarHBondContact CA-OG1 3.41Å; G56-T99 PolarHBondContact O-OG1 3.33Å; I57-T99 PolarHBondContact N-OG1 2.96Å; C58-T99 WeakPolarHBondContact CB-O 3.43Å; V67-T99 HydrophobicContact CG2-CG2 4.46Å; V75-T99 HydrophobicContact CG1-CG2 4.27Å; V75-T99 HydrophobicContact CG2-CG2 4.21Å; V96-T99 HydrophobicContact CG1-CG2 3.77Å; T99-V109 VanDerWaalsContact CA-O 3.29Å; T99-V109 WeakPolarHBondContact CA-O 3.48Å |
| 100 | F | 97.2 | Very high | 95.2 | Very high | 43 Ų | 43 | 42.6 Ų | 42.6 | 19% | 0.189 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141 | 142.2 | 177.5 | -63.9 | -77.7 | 0 | 0 | 0 | 112.1 | C58 T98 I108 V109 A141 W213 | C58-F100 HydrophobicContact CB-CD1 4.19Å; T98-F100 HydrophobicContact CG2-CE2 4.17Å; F100-I108 CarbonylContact O-C 3.6Å; F100-I108 WeakPolarHBondContact O-CA 3.39Å; F100-V109 HydrophobicContact CB-CG1 3.97Å; F100-V109 PolarHBondContact N-O 2.87Å; F100-V109 PolarHBondContact O-N 2.91Å; F100-A141 VanDerWaalsContact CD2-O 3.23Å; F100-A141 WeakPolarHBondContact CD2-O 3.45Å; F100-W213 HydrophobicContact CZ-CH2 4.22Å; F100-W213 HydrophobicContact CZ-CZ2 4.17Å |
| 101 | F | 96.4 | Very high | 95.4 | Very high | 18 Ų | 18 | 36.8 Ų | 36.8 | 8% | 0.079 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.9 | 145.3 | 169.2 | -76.6 | -74.9 | 0 | 0 | 0 | 111.7 | C58 H60 I65 V67 W107 I108 W122 | C58-F101 HydrophobicContact CB-CD2 4.3Å; C58-F101 WeakPolarHBondContact O-CE2 3.36Å; H60-F101 HydrophobicContact CB-CD2 3.94Å; H60-F101 HydrophobicContact CB-CE2 3.82Å; H60-F101 HydrophobicContact CB-CG 4.34Å; H60-F101 HydrophobicContact CB-CZ 4.14Å; H60-F101 AromaticContact CD2-CD1 3.77Å; H60-F101 AromaticContact CD2-CE1 3.9Å; I65-F101 HydrophobicContact CD1-CE1 4.24Å; I65-F101 HydrophobicContact CD1-CZ 4.04Å; I65-F101 HydrophobicContact CG1-CZ 4.1Å; V67-F101 HydrophobicContact CB-CE2 3.81Å; V67-F101 HydrophobicContact CB-CZ 3.86Å; V67-F101 HydrophobicContact CG1-CD2 3.86Å; V67-F101 HydrophobicContact CG1-CE2 3.55Å; V67-F101 HydrophobicContact CG1-CZ 4.02Å; F101-W107 WeakPolarHBondContact CA-O 3.34Å; F101-I108 HydrophobicContact CD1-CD1 4.33Å; F101-I108 HydrophobicContact CD1-CG1 3.62Å; F101-I108 HydrophobicContact CE1-CD1 3.74Å; F101-I108 HydrophobicContact CE1-CG1 3.55Å; F101-I108 HydrophobicContact CG-CG1 4.48Å; F101-I108 HydrophobicContact CZ-CD1 4.25Å; F101-I108 HydrophobicContact CZ-CG1 4.36Å; F101-W122 AromaticContact CD1-CD1 3.93Å; F101-W122 AromaticContact CD1-NE1 3.98Å; F101-W122 AromaticContact CE1-CD1 3.67Å; F101-W122 HydrophobicContact CE1-CG 4.25Å; F101-W122 AromaticContact CE1-NE1 3.87Å |
| 102 | H | 94.6 | Very high | 95.7 | Very high | 13 Ų | 13 | 35.5 Ų | 35.5 | 6% | 0.06 | 16% | 0.164 | C | C | . | . | trans | -71.3 | 151.3 | 162 | -169.5 | -117.3 | 0 | 0 | 0 | 110.5 | Q104 Y105 W107 F143 | H102-Q104 PolarHBondContact ND1-N 3.39Å; H102-Y105 AromaticContact CE1-CD2 3.15Å; H102-Y105 WeakPolarHBondContact CE1-CD2 3.4Å; H102-Y105 AromaticContact CE1-CE2 3.44Å; H102-Y105 VanDerWaalsContact CE1-CE2 3.44Å; H102-Y105 WeakPolarHBondContact CE1-CE2 3.28Å; H102-Y105 AromaticContact CE1-CG 3.82Å; H102-Y105 WeakPolarHBondContact ND1-CB 3.49Å; H102-Y105 AromaticContact ND1-CD2 3.12Å; H102-Y105 WeakPolarHBondContact ND1-CD2 3.39Å; H102-Y105 AromaticContact ND1-CE2 3.91Å; H102-Y105 AromaticContact ND1-CG 3.44Å; H102-Y105 PolarHBondContact ND1-N 2.84Å; H102-W107 HydrophobicContact CB-CB 3.93Å; H102-W107 PolarHBondContact N-O 3.21Å; H102-F143 HydrophobicContact CB-CD2 3.87Å; H102-F143 HydrophobicContact CB-CE1 4.46Å; H102-F143 HydrophobicContact CB-CE2 3.68Å; H102-F143 HydrophobicContact CB-CG 4.34Å; H102-F143 HydrophobicContact CB-CZ 4Å; H102-F143 AromaticContact CD2-CD1 3.83Å; H102-F143 AromaticContact CD2-CG 3.69Å | ||
| 103 | K | 88.8 | Confident | 95.8 | Very high | 131 Ų | 131 | 35.2 Ų | 35.2 | 57% | 0.57 | 16% | 0.163 | S | C | * | . | S | Bend | trans | -78.5 | -28.7 | -174.2 | -65.8 | -175.9 | -172.9 | 173.6 | 0 | 114.3 | P145 | K103-P145 VanDerWaalsContact NZ-CA 3.25Å; K103-P145 PolarHBondContact NZ-O 3Å |
| 104 | Q | 88.8 | Confident | 95.8 | Very high | 137 Ų | 137 | 30.1 Ų | 30.1 | 64% | 0.64 | 14% | 0.137 | S | C | * | . | S | Bend | trans | -121 | -30.1 | -170.9 | -63 | 178.1 | -10.4 | 0 | 0 | 114 | H102 | H102-Q104 PolarHBondContact ND1-N 3.39Š|
| 105 | Y | 91 | Very high | 95.8 | Very high | 44 Ų | 44 | 32.1 Ų | 32.1 | 17% | 0.173 | 14% | 0.144 | C | C | . | . | S | Bend | trans | -107.2 | 155.7 | -175.2 | -52.1 | -44.5 | 0 | 0 | 0 | 109.3 | H102 W107 R168 V172 | H102-Y105 AromaticContact CE1-CD2 3.15Å; H102-Y105 WeakPolarHBondContact CE1-CD2 3.4Å; H102-Y105 AromaticContact CE1-CE2 3.44Å; H102-Y105 VanDerWaalsContact CE1-CE2 3.44Å; H102-Y105 WeakPolarHBondContact CE1-CE2 3.28Å; H102-Y105 AromaticContact CE1-CG 3.82Å; H102-Y105 WeakPolarHBondContact ND1-CB 3.49Å; H102-Y105 AromaticContact ND1-CD2 3.12Å; H102-Y105 WeakPolarHBondContact ND1-CD2 3.39Å; H102-Y105 AromaticContact ND1-CE2 3.91Å; H102-Y105 AromaticContact ND1-CG 3.44Å; H102-Y105 PolarHBondContact ND1-N 2.84Å; Y105-W107 HydrophobicContact CD2-CD2 4.3Å; Y105-W107 AromaticContact CD2-CE3 3.87Å; Y105-W107 HydrophobicContact CD2-CE3 3.87Å; Y105-W107 AromaticContact CD2-CH2 3.82Å; Y105-W107 HydrophobicContact CD2-CH2 3.82Å; Y105-W107 HydrophobicContact CD2-CZ2 4.23Å; Y105-W107 AromaticContact CD2-CZ3 3.62Å; Y105-W107 HydrophobicContact CD2-CZ3 3.62Å; Y105-W107 HydrophobicContact CE2-CH2 4.45Å; Y105-W107 HydrophobicContact CE2-CZ3 4.36Å; Y105-W107 HydrophobicContact CG-CD2 4.42Å; Y105-W107 HydrophobicContact CG-CE3 4.43Å; Y105-W107 HydrophobicContact CG-CH2 4.45Å; Y105-W107 HydrophobicContact CG-CZ2 4.41Å; Y105-W107 HydrophobicContact CG-CZ3 4.45Å; Y105-W107 PolarHBondContact O-N 3.35Å; Y105-R168 HydrophobicContact CE2-CG 3.96Å; Y105-R168 WeakPolarHBondContact OH-CD 3.49Å; Y105-V172 HydrophobicContact CD1-CG2 3.85Å; Y105-V172 HydrophobicContact CE1-CG1 4.41Å; Y105-V172 HydrophobicContact CE1-CG2 4.02Å; Y105-V172 HydrophobicContact CG-CG2 4.26Å |
| 106 | P | 93.4 | Very high | 95.8 | Very high | 28 Ų | 28 | 28.7 Ų | 28.7 | 18% | 0.182 | 13% | 0.133 | C | C | . | . | S | Bend | trans | -76.2 | 48.3 | -177.9 | 33.8 | -38 | 0 | 0 | 0 | 112.1 | N121 W122 Q123 | P106-N121 CarbonylContact O-C 3.48Å; P106-N121 VanDerWaalsContact O-CA 3.31Å; P106-N121 WeakPolarHBondContact O-CA 3.49Å; P106-N121 PolarHBondContact O-OD1 2.92Å; P106-W122 VanDerWaalsContact C-NE1 3.35Å; P106-W122 VanDerWaalsContact CA-NE1 3.32Å; P106-W122 HydrophobicContact CB-CD2 4.48Å; P106-W122 HydrophobicContact CB-CZ2 4.24Å; P106-W122 PolarHBondContact O-N 2.87Å; P106-Q123 HydrophobicContact CB-CB 4.39Å; P106-Q123 VanDerWaalsContact CB-CD 3.47Å; P106-Q123 HydrophobicContact CB-CG 3.74Å; P106-Q123 HydrophobicContact CG-CG 4.49Å |
| 107 | W | 95.3 | Very high | 95.8 | Very high | 2 Ų | 2 | 28.7 Ų | 28.7 | 1% | 0.008 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 150.2 | -171.1 | -57.4 | -16.7 | 0 | 0 | 0 | 113 | F101 H102 Y105 I119 W120 I128 F143 I164 L167 R168 N171 V172 | F101-W107 WeakPolarHBondContact CA-O 3.34Å; H102-W107 HydrophobicContact CB-CB 3.93Å; H102-W107 PolarHBondContact N-O 3.21Å; Y105-W107 HydrophobicContact CD2-CD2 4.3Å; Y105-W107 AromaticContact CD2-CE3 3.87Å; Y105-W107 HydrophobicContact CD2-CE3 3.87Å; Y105-W107 AromaticContact CD2-CH2 3.82Å; Y105-W107 HydrophobicContact CD2-CH2 3.82Å; Y105-W107 HydrophobicContact CD2-CZ2 4.23Å; Y105-W107 AromaticContact CD2-CZ3 3.62Å; Y105-W107 HydrophobicContact CD2-CZ3 3.62Å; Y105-W107 HydrophobicContact CE2-CH2 4.45Å; Y105-W107 HydrophobicContact CE2-CZ3 4.36Å; Y105-W107 HydrophobicContact CG-CD2 4.42Å; Y105-W107 HydrophobicContact CG-CE3 4.43Å; Y105-W107 HydrophobicContact CG-CH2 4.45Å; Y105-W107 HydrophobicContact CG-CZ2 4.41Å; Y105-W107 HydrophobicContact CG-CZ3 4.45Å; Y105-W107 PolarHBondContact O-N 3.35Å; W107-I119 HydrophobicContact CB-CG2 4.11Å; W107-I119 HydrophobicContact CD2-CG2 4.34Å; W107-I119 HydrophobicContact CE3-CG2 4.38Å; W107-I119 HydrophobicContact CG-CG2 4.25Å; W107-W120 CarbonylContact C-O 3.57Å; W107-W120 WeakPolarHBondContact CA-O 3.46Å; W107-I128 HydrophobicContact CD2-CD1 4.05Å; W107-I128 HydrophobicContact CG-CD1 4.12Å; W107-I128 HydrophobicContact CZ2-CD1 4.14Å; W107-F143 HydrophobicContact CB-CZ 4.1Å; W107-F143 HydrophobicContact CE3-CE1 4.32Å; W107-I164 HydrophobicContact CE3-CD1 4.42Å; W107-I164 HydrophobicContact CZ3-CD1 3.89Å; W107-L167 HydrophobicContact CH2-CD2 4.44Å; W107-L167 HydrophobicContact CH2-CG 4.34Å; W107-L167 HydrophobicContact CZ3-CD2 4.5Å; W107-R168 HydrophobicContact CH2-CB 4.07Å; W107-N171 HydrophobicContact CZ2-CB 4.23Å; W107-V172 HydrophobicContact CZ2-CG2 4.22Å |
| 108 | I | 97.3 | Very high | 95.8 | Very high | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 131.2 | 170.2 | -63.6 | 166.5 | 0 | 0 | 0 | 106.7 | V67 V77 L89 F100 F101 I119 W120 W122 | V67-I108 HydrophobicContact CB-CD1 4.2Å; V67-I108 HydrophobicContact CG1-CG2 4.44Å; V67-I108 HydrophobicContact CG2-CD1 3.96Å; V67-I108 HydrophobicContact CG2-CG2 4.06Å; V77-I108 HydrophobicContact CG2-CD1 3.77Å; L89-I108 HydrophobicContact CD1-CD1 4.18Å; F100-I108 CarbonylContact O-C 3.6Å; F100-I108 WeakPolarHBondContact O-CA 3.39Å; F101-I108 HydrophobicContact CD1-CD1 4.33Å; F101-I108 HydrophobicContact CD1-CG1 3.62Å; F101-I108 HydrophobicContact CE1-CD1 3.74Å; F101-I108 HydrophobicContact CE1-CG1 3.55Å; F101-I108 HydrophobicContact CG-CG1 4.48Å; F101-I108 HydrophobicContact CZ-CD1 4.25Å; F101-I108 HydrophobicContact CZ-CG1 4.36Å; I108-I119 CarbonylContact O-C 3.57Å; I108-I119 WeakPolarHBondContact O-CA 3.39Å; I108-W120 HydrophobicContact CB-CB 4.37Å; I108-W120 PolarHBondContact N-O 2.85Å; I108-W120 PolarHBondContact O-N 3.41Å; I108-W122 HydrophobicContact CD1-CB 3.75Å; I108-W122 HydrophobicContact CD1-CG 4.37Å; I108-W122 HydrophobicContact CG1-CB 4.34Å |
| 109 | V | 97.4 | Very high | 95.8 | Very high | 1 Ų | 1 | 28 Ų | 28 | 1% | 0.006 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 137.9 | 164.2 | 64.6 | 0 | 0 | 0 | 0 | 108.8 | T99 F100 I117 R118 A141 F143 V150 | T99-V109 VanDerWaalsContact CA-O 3.29Å; T99-V109 WeakPolarHBondContact CA-O 3.48Å; F100-V109 HydrophobicContact CB-CG1 3.97Å; F100-V109 PolarHBondContact N-O 2.87Å; F100-V109 PolarHBondContact O-N 2.91Å; V109-I117 HydrophobicContact CG2-CG2 3.36Å; V109-R118 CarbonylContact C-O 3.52Å; V109-R118 WeakPolarHBondContact CA-O 3.23Å; V109-A141 HydrophobicContact CG2-CB 3.98Å; V109-F143 HydrophobicContact CB-CD2 4.12Å; V109-F143 HydrophobicContact CB-CE1 4.34Å; V109-F143 HydrophobicContact CB-CE2 3.55Å; V109-F143 HydrophobicContact CB-CZ 3.68Å; V109-F143 HydrophobicContact CG1-CD2 3.64Å; V109-F143 HydrophobicContact CG1-CE2 3.54Å; V109-F143 HydrophobicContact CG1-CG 4.34Å; V109-F143 HydrophobicContact CG1-CZ 4.16Å; V109-V150 HydrophobicContact CG2-CG1 4.4Å |
| 110 | S | 97.9 | Very high | 95.7 | Very high | 1 Ų | 1 | 28.3 Ų | 28.3 | 1% | 0.007 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 139.4 | 170 | 60.3 | 0 | 0 | 0 | 0 | 111.4 | H92 T98 I117 R118 W120 | H92-S110 PolarHBondContact CD2-OG 3.4Å; H92-S110 PolarHBondContact NE2-OG 3.46Å; T98-S110 VanDerWaalsContact O-CA 3.26Å; T98-S110 WeakPolarHBondContact O-CA 3.46Å; S110-I117 CarbonylContact O-C 3.5Å; S110-I117 VanDerWaalsContact O-CA 3.29Å; S110-I117 WeakPolarHBondContact O-CA 3.42Å; S110-I117 WeakPolarHBondContact O-CG2 3.39Å; S110-R118 PolarHBondContact N-O 3.24Å; S110-R118 PolarHBondContact O-N 2.88Å; S110-W120 PolarHBondContact OG-NE1 3.45Å |
| 111 | A | 97.6 | Very high | 95.6 | Very high | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 143.1 | 176.4 | 0 | 0 | 0 | 0 | 0 | 110 | V96 R97 T98 I117 V138 A141 | V96-A111 CarbonylContact C-O 3.56Å; R97-A111 PolarHBondContact N-O 2.79Å; T98-A111 PolarHBondContact O-N 3.03Å; T98-A111 VanDerWaalsContact O-N 3.12Å; T98-A111 WeakPolarHBondContact OG1-CB 3.48Å; A111-I117 HydrophobicContact CB-CG1 4.43Å; A111-V138 HydrophobicContact CB-CB 4.02Å; A111-V138 HydrophobicContact CB-CG1 3.86Å; A111-V138 WeakPolarHBondContact CB-O 3.43Å; A111-A141 HydrophobicContact CB-CB 3.83Å |
| 112 | S | 97.9 | Very high | 95.4 | Very high | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 162.4 | -173.4 | 171.6 | 0 | 0 | 0 | 0 | 113.1 | H92 D94 Y95 D114 Q115 T116 V138 | H92-S112 VanDerWaalsContact CE1-CB 3.41Å; H92-S112 WeakPolarHBondContact CE1-CB 3.28Å; H92-S112 WeakPolarHBondContact ND1-CB 3.13Å; D94-S112 PolarHBondContact O-OG 3Å; Y95-S112 CarbonylContact O-C 3.53Å; Y95-S112 WeakPolarHBondContact O-CA 3.25Å; Y95-S112 PolarHBondContact O-OG 2.96Å; S112-D114 WeakPolarHBondContact CB-OD1 3.3Å; S112-D114 PolarHBondContact O-N 2.81Å; S112-D114 VanDerWaalsContact OG-CG 3.32Å; S112-D114 PolarHBondContact OG-N 3.18Å; S112-D114 PolarHBondContact OG-OD1 2.96Å; S112-Q115 PolarHBondContact O-N 3.03Å; S112-T116 PolarHBondContact N-O 3.43Å; S112-V138 PolarHBondContact O-N 3.49Å |
| 113 | D | 97.8 | Very high | 95.2 | Very high | 5 Ų | 5 | 33.7 Ų | 33.7 | 3% | 0.027 | 16% | 0.156 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.2 | -15.9 | 167.6 | -71.2 | 3.2 | 0 | 0 | 0 | 112.3 | D94 Y95 R97 Q115 Y137 | D94-D113 HydrophobicContact CB-CB 3.77Å; Y95-D113 WeakPolarHBondContact CD2-OD2 3.44Å; Y95-D113 PolarHBondContact O-N 3.08Å; R97-D113 VanDerWaalsContact CG-OD1 3.3Å; R97-D113 WeakPolarHBondContact CG-OD1 3.47Å; R97-D113 IonicContact CZ-OD1 3.78Å; R97-D113 VanDerWaalsContact CZ-OD1 3.28Å; R97-D113 IonicContact CZ-OD2 3.72Å; R97-D113 VanDerWaalsContact CZ-OD2 3.3Å; R97-D113 VanDerWaalsContact NE-CG 3.29Å; R97-D113 IonicContact NE-OD1 3.87Å; R97-D113 PolarHBondContact NE-OD1 3.29Å; R97-D113 IonicContact NE-OD2 3.64Å; R97-D113 PolarHBondContact NE-OD2 3.5Å; R97-D113 VanDerWaalsContact NE-OD2 3.14Å; R97-D113 IonicContact NH2-OD1 2.9Å; R97-D113 PolarHBondContact NH2-OD1 2.89Å; R97-D113 IonicContact NH2-OD2 3.3Å; R97-D113 PolarHBondContact NH2-OD2 2.92Å; D113-Q115 PolarHBondContact O-N 3.43Å; D113-Y137 HydrophobicContact CB-CD1 3.64Å; D113-Y137 HydrophobicContact CB-CD2 4.38Å; D113-Y137 HydrophobicContact CB-CE1 4.02Å; D113-Y137 HydrophobicContact CB-CG 3.86Å; D113-Y137 WeakPolarHBondContact O-CD1 3.45Å; D113-Y137 WeakPolarHBondContact OD1-CB 3.45Å |
| 114 | D | 96.6 | Very high | 95.4 | Very high | 28 Ų | 28 | 30 Ų | 30 | 15% | 0.15 | 15% | 0.147 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69 | 10.3 | 172.2 | 77.4 | 8.2 | 0 | 0 | 0 | 114.4 | H92 L93 D94 S112 T116 | H92-D114 WeakPolarHBondContact CA-OD2 3.42Å; H92-D114 IonicContact CE1-OD1 2.9Å; H92-D114 IonicContact CE1-OD2 2.74Å; H92-D114 IonicContact CG-OD2 3.16Å; H92-D114 IonicContact ND1-OD1 2.61Å; H92-D114 PolarHBondContact ND1-OD1 3.24Å; H92-D114 IonicContact ND1-OD2 2.75Å; H92-D114 PolarHBondContact ND1-OD2 2.86Å; L93-D114 HydrophobicContact CB-CB 4.03Å; L93-D114 PolarHBondContact N-OD2 3.33Å; D94-D114 HydrophobicContact CB-CB 4.13Å; S112-D114 WeakPolarHBondContact CB-OD1 3.3Å; S112-D114 PolarHBondContact O-N 2.81Å; S112-D114 VanDerWaalsContact OG-CG 3.32Å; S112-D114 PolarHBondContact OG-N 3.18Å; S112-D114 PolarHBondContact OG-OD1 2.96Å; D114-T116 PolarHBondContact O-N 2.98Å; D114-T116 VanDerWaalsContact O-N 3.13Å; D114-T116 WeakPolarHBondContact OD1-CA 3.46Å; D114-T116 WeakPolarHBondContact OD1-CB 3.49Å; D114-T116 PolarHBondContact OD1-N 3.22Å; D114-T116 PolarHBondContact OD1-OG1 3.44Å; D114-T116 PolarHBondContact OD2-OG1 2.87Å |
| 115 | Q | 97.1 | Very high | 95.6 | Very high | 85 Ų | 85 | 30.8 Ų | 30.8 | 40% | 0.397 | 14% | 0.144 | S | C | . | . | S | Bend | trans | 66.8 | 4.7 | 178.4 | -43.3 | -179.9 | 4.8 | 0 | 0 | 113.9 | S112 D113 | S112-Q115 PolarHBondContact O-N 3.03Å; D113-Q115 PolarHBondContact O-N 3.43Å |
| 116 | T | 96.9 | Very high | 95.7 | Very high | 18 Ų | 18 | 33.7 Ų | 33.7 | 11% | 0.11 | 16% | 0.163 | C | C | . | . | trans | -107.6 | 155.1 | 178.3 | 77.7 | 0 | 0 | 0 | 0 | 112.9 | S112 D114 I130 T132 | S112-T116 PolarHBondContact N-O 3.43Å; D114-T116 PolarHBondContact O-N 2.98Å; D114-T116 VanDerWaalsContact O-N 3.13Å; D114-T116 WeakPolarHBondContact OD1-CA 3.46Å; D114-T116 WeakPolarHBondContact OD1-CB 3.49Å; D114-T116 PolarHBondContact OD1-N 3.22Å; D114-T116 PolarHBondContact OD1-OG1 3.44Å; D114-T116 PolarHBondContact OD2-OG1 2.87Å; T116-I130 HydrophobicContact CG2-CG2 4Å; T116-T132 HydrophobicContact CG2-CG2 4.21Å | ||
| 117 | I | 97.7 | Very high | 95.6 | Very high | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 131.8 | 163.2 | -53.8 | 142.4 | 0 | 0 | 0 | 106.8 | V109 S110 A111 L131 V138 A141 S152 W162 | V109-I117 HydrophobicContact CG2-CG2 3.36Å; S110-I117 CarbonylContact O-C 3.5Å; S110-I117 VanDerWaalsContact O-CA 3.29Å; S110-I117 WeakPolarHBondContact O-CA 3.42Å; S110-I117 WeakPolarHBondContact O-CG2 3.39Å; A111-I117 HydrophobicContact CB-CG1 4.43Å; I117-L131 HydrophobicContact CB-CB 4.02Å; I117-L131 HydrophobicContact CB-CD2 4.27Å; I117-L131 HydrophobicContact CD1-CB 4.41Å; I117-L131 HydrophobicContact CD1-CD2 4.41Å; I117-L131 HydrophobicContact CG2-CD2 4.29Å; I117-L131 PolarHBondContact N-O 2.89Å; I117-L131 VanDerWaalsContact N-O 3.11Å; I117-L131 WeakPolarHBondContact O-CB 3.34Å; I117-L131 PolarHBondContact O-N 2.72Å; I117-V138 HydrophobicContact CD1-CG1 4.04Å; I117-V138 HydrophobicContact CG1-CB 4.27Å; I117-V138 HydrophobicContact CG1-CG1 3.73Å; I117-V138 HydrophobicContact CG1-CG2 4.27Å; I117-A141 HydrophobicContact CD1-CB 4.35Å; I117-A141 HydrophobicContact CG1-CB 4.03Å; I117-A141 HydrophobicContact CG2-CB 3.69Å; I117-S152 WeakPolarHBondContact CD1-OG 3.39Å; I117-W162 HydrophobicContact CD1-CZ2 3.99Å |
| 118 | R | 97.1 | Very high | 95.5 | Very high | 34 Ų | 34 | 35.9 Ų | 35.9 | 13% | 0.128 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 136.1 | 178.8 | -67.2 | -178.8 | -179.3 | -128 | 1.8 | 110.5 | G91 V109 S110 W120 I130 | G91-R118 VanDerWaalsContact C-CZ 3.44Å; G91-R118 PolarHBondContact O-NH1 2.98Å; G91-R118 PolarHBondContact O-NH2 3.12Å; V109-R118 CarbonylContact C-O 3.52Å; V109-R118 WeakPolarHBondContact CA-O 3.23Å; S110-R118 PolarHBondContact N-O 3.24Å; S110-R118 PolarHBondContact O-N 2.88Å; R118-W120 HydrophobicContact CB-CZ2 3.84Å; R118-W120 VanDerWaalsContact CD-CZ2 3.45Å; R118-W120 HydrophobicContact CG-CZ2 4.28Å; R118-I130 HydrophobicContact CG-CG1 4.31Å; R118-I130 HydrophobicContact CG-CG2 4.3Å |
| 119 | I | 96.9 | Very high | 95.3 | Very high | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 119.8 | 168.9 | -56.2 | 177.5 | 0 | 0 | 0 | 107 | W107 I108 I128 A129 L131 F143 V150 I164 L167 | W107-I119 HydrophobicContact CB-CG2 4.11Å; W107-I119 HydrophobicContact CD2-CG2 4.34Å; W107-I119 HydrophobicContact CE3-CG2 4.38Å; W107-I119 HydrophobicContact CG-CG2 4.25Å; I108-I119 CarbonylContact O-C 3.57Å; I108-I119 WeakPolarHBondContact O-CA 3.39Å; I119-I128 HydrophobicContact CB-CG1 4.24Å; I119-I128 HydrophobicContact CG2-CD1 3.9Å; I119-I128 HydrophobicContact CG2-CG1 3.86Å; I119-I128 WeakPolarHBondContact O-CG1 3.27Å; I119-I128 PolarHBondContact O-N 3.16Å; I119-A129 HydrophobicContact CB-CB 4.23Å; I119-A129 PolarHBondContact N-O 2.88Å; I119-A129 PolarHBondContact O-N 3.28Å; I119-L131 HydrophobicContact CD1-CD1 3.98Å; I119-L131 HydrophobicContact CG1-CD1 4.14Å; I119-F143 HydrophobicContact CD1-CE1 4.37Å; I119-F143 HydrophobicContact CG2-CZ 4.25Å; I119-V150 HydrophobicContact CD1-CG2 4.44Å; I119-I164 HydrophobicContact CD1-CG2 3.84Å; I119-L167 HydrophobicContact CB-CD2 4.26Å; I119-L167 HydrophobicContact CD1-CD2 3.76Å; I119-L167 HydrophobicContact CG2-CD2 4.07Å |
| 120 | W | 95.8 | Very high | 95.2 | Very high | 7 Ų | 7 | 40.5 Ų | 40.5 | 3% | 0.027 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 141.5 | 179.8 | -47.3 | 82.9 | 0 | 0 | 0 | 109.7 | L89 L90 W107 I108 S110 R118 N126 | L89-W120 HydrophobicContact CB-CD2 4.21Å; L89-W120 HydrophobicContact CB-CE3 3.9Å; L89-W120 HydrophobicContact CB-CZ3 4.07Å; L89-W120 HydrophobicContact CD1-CB 3.83Å; L89-W120 HydrophobicContact CD1-CD2 4.08Å; L89-W120 HydrophobicContact CD1-CE3 4.26Å; L89-W120 HydrophobicContact CD1-CG 3.89Å; L89-W120 HydrophobicContact CD2-CE3 4.42Å; L89-W120 HydrophobicContact CG-CE3 4.42Å; L90-W120 VanDerWaalsContact O-CH2 3.27Å; L90-W120 WeakPolarHBondContact O-CH2 3.36Å; L90-W120 WeakPolarHBondContact O-CZ3 3.4Å; W107-W120 CarbonylContact C-O 3.57Å; W107-W120 WeakPolarHBondContact CA-O 3.46Å; I108-W120 HydrophobicContact CB-CB 4.37Å; I108-W120 PolarHBondContact N-O 2.85Å; I108-W120 PolarHBondContact O-N 3.41Å; S110-W120 PolarHBondContact OG-NE1 3.45Å; R118-W120 HydrophobicContact CB-CZ2 3.84Å; R118-W120 VanDerWaalsContact CD-CZ2 3.45Å; R118-W120 HydrophobicContact CG-CZ2 4.28Å; W120-N126 WeakPolarHBondContact CA-O 3.45Å |
| 121 | N | 94.4 | Very high | 95.1 | Very high | 22 Ų | 22 | 40.7 Ų | 40.7 | 12% | 0.118 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 112.3 | 163.9 | 175.7 | -22.8 | 0 | 0 | 0 | 108.5 | P106 Q123 S124 R125 N126 I128 | P106-N121 CarbonylContact O-C 3.48Å; P106-N121 VanDerWaalsContact O-CA 3.31Å; P106-N121 WeakPolarHBondContact O-CA 3.49Å; P106-N121 PolarHBondContact O-OD1 2.92Å; N121-Q123 VanDerWaalsContact C-N 3.27Å; N121-Q123 PolarHBondContact O-N 3.27Å; N121-Q123 WeakPolarHBondContact OD1-CB 3.43Å; N121-Q123 PolarHBondContact OD1-N 3.46Å; N121-S124 VanDerWaalsContact CB-OG 3.32Å; N121-S124 WeakPolarHBondContact CB-OG 3.41Å; N121-S124 PolarHBondContact O-N 3.48Å; N121-S124 PolarHBondContact O-OG 2.96Å; N121-S124 PolarHBondContact OD1-N 2.85Å; N121-S124 VanDerWaalsContact OD1-N 3.17Å; N121-R125 WeakPolarHBondContact O-CA 3.26Å; N121-R125 PolarHBondContact O-N 3.3Å; N121-N126 PolarHBondContact N-O 3.45Å; N121-N126 PolarHBondContact O-N 2.88Å; N121-I128 HydrophobicContact CB-CD1 4.37Å; N121-I128 HydrophobicContact CB-CG2 3.7Å |
| 122 | W | 92.6 | Very high | 94.9 | Very high | 39 Ų | 39 | 45.3 Ų | 45.3 | 15% | 0.148 | 23% | 0.231 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.7 | -16.3 | -173.3 | 65.8 | -104.8 | 0 | 0 | 0 | 113.6 | H60 Q63 I65 F87 F101 P106 I108 | H60-W122 AromaticContact NE2-CZ2 3.83Å; Q63-W122 HydrophobicContact CG-CH2 4.42Å; I65-W122 HydrophobicContact CD1-CD2 4.39Å; I65-W122 HydrophobicContact CD1-CE3 4.34Å; I65-W122 HydrophobicContact CD1-CH2 4.34Å; I65-W122 HydrophobicContact CD1-CZ2 4.35Å; I65-W122 HydrophobicContact CD1-CZ3 4.32Å; F87-W122 HydrophobicContact CE2-CB 4.5Å; F87-W122 HydrophobicContact CZ-CB 4.24Å; F87-W122 WeakPolarHBondContact CZ-O 3.37Å; F101-W122 AromaticContact CD1-CD1 3.93Å; F101-W122 AromaticContact CD1-NE1 3.98Å; F101-W122 AromaticContact CE1-CD1 3.67Å; F101-W122 HydrophobicContact CE1-CG 4.25Å; F101-W122 AromaticContact CE1-NE1 3.87Å; P106-W122 VanDerWaalsContact C-NE1 3.35Å; P106-W122 VanDerWaalsContact CA-NE1 3.32Å; P106-W122 HydrophobicContact CB-CD2 4.48Å; P106-W122 HydrophobicContact CB-CZ2 4.24Å; P106-W122 PolarHBondContact O-N 2.87Å; I108-W122 HydrophobicContact CD1-CB 3.75Å; I108-W122 HydrophobicContact CD1-CG 4.37Å; I108-W122 HydrophobicContact CG1-CB 4.34Å |
| 123 | Q | 91.6 | Very high | 94.5 | Very high | 125 Ų | 125 | 46.9 Ų | 46.9 | 58% | 0.584 | 25% | 0.247 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -78.7 | -46 | 173 | -69.9 | 176.4 | -20.5 | 0 | 0 | 111 | P106 N121 R125 | P106-Q123 HydrophobicContact CB-CB 4.39Å; P106-Q123 VanDerWaalsContact CB-CD 3.47Å; P106-Q123 HydrophobicContact CB-CG 3.74Å; P106-Q123 HydrophobicContact CG-CG 4.49Å; N121-Q123 VanDerWaalsContact C-N 3.27Å; N121-Q123 PolarHBondContact O-N 3.27Å; N121-Q123 WeakPolarHBondContact OD1-CB 3.43Å; N121-Q123 PolarHBondContact OD1-N 3.46Å; Q123-R125 VanDerWaalsContact C-N 3.31Å |
| 124 | S | 91.9 | Very high | 94.4 | Very high | 55 Ų | 55 | 47 Ų | 47 | 39% | 0.385 | 25% | 0.247 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78.8 | -15.1 | 175.4 | 67.6 | 0 | 0 | 0 | 0 | 113.8 | N121 N126 | N121-S124 VanDerWaalsContact CB-OG 3.32Å; N121-S124 WeakPolarHBondContact CB-OG 3.41Å; N121-S124 PolarHBondContact O-N 3.48Å; N121-S124 PolarHBondContact O-OG 2.96Å; N121-S124 PolarHBondContact OD1-N 2.85Å; N121-S124 VanDerWaalsContact OD1-N 3.17Å; S124-N126 PolarHBondContact O-N 2.92Å |
| 125 | R | 93.5 | Very high | 94.4 | Very high | 153 Ų | 153 | 51.3 Ų | 51.3 | 58% | 0.577 | 27% | 0.271 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 63.1 | 18.1 | -176.7 | -49.4 | -179.7 | -169.1 | 170.2 | 4.2 | 114.8 | F87 L89 N121 Q123 | F87-R125 HydrophobicContact CD2-CG 4.21Å; F87-R125 HydrophobicContact CE2-CG 4.18Å; F87-R125 HydrophobicContact CG-CG 4.41Å; F87-R125 HydrophobicContact CZ-CG 4.36Å; L89-R125 HydrophobicContact CD2-CB 4.07Å; L89-R125 VanDerWaalsContact CD2-O 3.3Å; L89-R125 WeakPolarHBondContact CD2-O 3.44Å; N121-R125 WeakPolarHBondContact O-CA 3.26Å; N121-R125 PolarHBondContact O-N 3.3Å; Q123-R125 VanDerWaalsContact C-N 3.31Å |
| 126 | N | 92.3 | Very high | 94.3 | Very high | 105 Ų | 105 | 50.8 Ų | 50.8 | 56% | 0.561 | 27% | 0.268 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 151.2 | -178 | -67.8 | -20.4 | 0 | 0 | 0 | 112.1 | W120 N121 S124 I128 | W120-N126 WeakPolarHBondContact CA-O 3.45Å; N121-N126 PolarHBondContact N-O 3.45Å; N121-N126 PolarHBondContact O-N 2.88Å; S124-N126 PolarHBondContact O-N 2.92Å; N126-I128 PolarHBondContact O-N 2.98Å |
| 127 | S | 93 | Very high | 94.4 | Very high | 43 Ų | 43 | 54 Ų | 54 | 30% | 0.301 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.4 | 121.7 | 163.2 | -167.9 | 0 | 0 | 0 | 0 | 108.3 | ||
| 128 | I | 92.8 | Very high | 94.4 | Very high | 32 Ų | 32 | 54 Ų | 54 | 16% | 0.164 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | -20.3 | -179.4 | 59.1 | 164.7 | 0 | 0 | 0 | 113 | W107 I119 N121 N126 L167 | W107-I128 HydrophobicContact CD2-CD1 4.05Å; W107-I128 HydrophobicContact CG-CD1 4.12Å; W107-I128 HydrophobicContact CZ2-CD1 4.14Å; I119-I128 HydrophobicContact CB-CG1 4.24Å; I119-I128 HydrophobicContact CG2-CD1 3.9Å; I119-I128 HydrophobicContact CG2-CG1 3.86Å; I119-I128 WeakPolarHBondContact O-CG1 3.27Å; I119-I128 PolarHBondContact O-N 3.16Å; N121-I128 HydrophobicContact CB-CD1 4.37Å; N121-I128 HydrophobicContact CB-CG2 3.7Å; N126-I128 PolarHBondContact O-N 2.98Å; I128-L167 HydrophobicContact CB-CD1 4.45Å; I128-L167 HydrophobicContact CD1-CD1 4.3Å; I128-L167 HydrophobicContact CD1-CD2 3.89Å; I128-L167 HydrophobicContact CD1-CG 4.12Å; I128-L167 HydrophobicContact CG1-CD1 4.41Å; I128-L167 HydrophobicContact CG1-CD2 4.23Å; I128-L167 WeakPolarHBondContact O-CD1 3.48Å |
| 129 | A | 93.2 | Very high | 94.4 | Very high | 14 Ų | 14 | 53.8 Ų | 53.8 | 12% | 0.116 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.7 | 146.9 | 170.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | I119 L131 L167 V198 | I119-A129 HydrophobicContact CB-CB 4.23Å; I119-A129 PolarHBondContact N-O 2.88Å; I119-A129 PolarHBondContact O-N 3.28Å; A129-L131 HydrophobicContact CB-CD1 3.85Å; A129-L167 HydrophobicContact CB-CD1 3.93Å; A129-L167 HydrophobicContact CB-CD2 3.79Å; A129-V198 HydrophobicContact CB-CG2 3.95Å |
| 130 | I | 95.1 | Very high | 94.4 | Very high | 84 Ų | 84 | 53.8 Ų | 53.8 | 43% | 0.431 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 114.7 | 168.5 | -51.8 | 178.1 | 0 | 0 | 0 | 106.1 | T116 R118 T132 | T116-I130 HydrophobicContact CG2-CG2 4Å; R118-I130 HydrophobicContact CG-CG1 4.31Å; R118-I130 HydrophobicContact CG-CG2 4.3Å; I130-T132 HydrophobicContact CG2-CG2 4.05Å |
| 131 | L | 94.8 | Very high | 94.5 | Very high | 5 Ų | 5 | 53.5 Ų | 53.5 | 3% | 0.026 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 106 | 179.6 | -75.8 | 57.3 | 0 | 0 | 0 | 107 | I117 I119 A129 W162 V198 | I117-L131 HydrophobicContact CB-CB 4.02Å; I117-L131 HydrophobicContact CB-CD2 4.27Å; I117-L131 HydrophobicContact CD1-CB 4.41Å; I117-L131 HydrophobicContact CD1-CD2 4.41Å; I117-L131 HydrophobicContact CG2-CD2 4.29Å; I117-L131 PolarHBondContact N-O 2.89Å; I117-L131 VanDerWaalsContact N-O 3.11Å; I117-L131 WeakPolarHBondContact O-CB 3.34Å; I117-L131 PolarHBondContact O-N 2.72Å; I119-L131 HydrophobicContact CD1-CD1 3.98Å; I119-L131 HydrophobicContact CG1-CD1 4.14Å; A129-L131 HydrophobicContact CB-CD1 3.85Å; L131-W162 HydrophobicContact CB-CD2 4.28Å; L131-W162 HydrophobicContact CB-CE3 3.93Å; L131-W162 HydrophobicContact CB-CH2 4.08Å; L131-W162 HydrophobicContact CB-CZ2 4.4Å; L131-W162 HydrophobicContact CB-CZ3 3.82Å; L131-W162 HydrophobicContact CD2-CB 4.06Å; L131-W162 HydrophobicContact CD2-CD2 3.71Å; L131-W162 HydrophobicContact CD2-CE3 3.95Å; L131-W162 HydrophobicContact CD2-CG 3.75Å; L131-W162 HydrophobicContact CG-CD2 4.14Å; L131-W162 HydrophobicContact CG-CE3 3.85Å; L131-W162 HydrophobicContact CG-CZ3 4.23Å; L131-V198 HydrophobicContact CD1-CB 4.26Å; L131-V198 HydrophobicContact CD1-CG1 3.96Å; L131-V198 HydrophobicContact CD1-CG2 4.06Å; L131-V198 HydrophobicContact CD2-CG1 4.01Å; L131-V198 HydrophobicContact CG-CB 4.39Å; L131-V198 HydrophobicContact CG-CG1 3.69Å |
| 132 | T | 93.5 | Very high | 94.6 | Very high | 97 Ų | 97 | 54.7 Ų | 54.7 | 60% | 0.595 | 28% | 0.284 | S | S | * | . | trans | -104.4 | 146.5 | 179.5 | 53.3 | 0 | 0 | 0 | 0 | 110.7 | T116 I130 W162 | T116-T132 HydrophobicContact CG2-CG2 4.21Å; I130-T132 HydrophobicContact CG2-CG2 4.05Å; T132-W162 WeakPolarHBondContact O-CH2 3.4Å | ||
| 133 | G | 90.1 | Very high | 94.8 | Very high | 34 Ų | 34 | 53.6 Ų | 53.6 | 35% | 0.351 | 28% | 0.28 | S | S | . | . | trans | 141.9 | -14.3 | 167 | 0 | 0 | 0 | 0 | 0 | 115 | R160 | G133-R160 PolarHBondContact O-NH1 3.36Å; G133-R160 PolarHBondContact O-NH2 2.85Å | ||
| 134 | H | 96.1 | Very high | 94.9 | Very high | 6 Ų | 6 | 48 Ų | 48 | 3% | 0.028 | 25% | 0.254 | C | S | . | . | trans | -65 | 144.8 | 163.8 | -85.1 | -61.9 | 0 | 0 | 0 | 109.7 | V138 S152 S154 D156 T158 R160 | H134-V138 HydrophobicContact CB-CG2 3.86Å; H134-S152 PolarHBondContact NE2-OG 3.07Å; H134-S154 VanDerWaalsContact CE1-CB 3.43Å; H134-S154 WeakPolarHBondContact CE1-CB 3.41Å; H134-S154 WeakPolarHBondContact ND1-CB 3.41Å; H134-D156 VanDerWaalsContact CA-OD2 3.27Å; H134-D156 WeakPolarHBondContact CA-OD2 3.36Å; H134-D156 IonicContact CE1-OD1 2.71Å; H134-D156 IonicContact CE1-OD2 3.51Å; H134-D156 IonicContact CG-OD2 2.73Å; H134-D156 IonicContact ND1-OD1 3.41Å; H134-D156 PolarHBondContact ND1-OD1 3.39Å; H134-D156 IonicContact ND1-OD2 3.81Å; H134-D156 PolarHBondContact ND1-OD2 2.97Å; H134-T158 PolarHBondContact CE1-OG1 3.15Å; H134-T158 VanDerWaalsContact CE1-OG1 3.3Å; H134-T158 PolarHBondContact ND1-OG1 3.01Å; H134-R160 PolarHBondContact ND1-NE 3.47Å | ||
| 135 | N | 95.2 | Very high | 94.8 | Very high | 120 Ų | 120 | 46.6 Ų | 46.6 | 64% | 0.642 | 24% | 0.243 | S | C | * | . | S | Bend | trans | -102.6 | 7.1 | -175.1 | -62.9 | -32.2 | 0 | 0 | 0 | 112.9 | D156 | N135-D156 HydrophobicContact CB-CB 4.15Å; N135-D156 PolarHBondContact N-OD2 3.37Å |
| 136 | H | 96.8 | Very high | 94.5 | Very high | 73 Ų | 73 | 44.1 Ų | 44.1 | 34% | 0.338 | 25% | 0.245 | S | C | . | . | S | Bend | trans | -157.5 | 170.8 | 177.8 | -149.9 | -68.7 | 0 | 0 | 0 | 109.6 | V138 S154 L155 D156 | H136-V138 PolarHBondContact O-N 3.44Å; H136-S154 PolarHBondContact O-OG 3.36Å; H136-L155 HydrophobicContact CB-CB 4.14Å; H136-L155 WeakPolarHBondContact ND1-CB 3.36Å; H136-D156 HydrophobicContact CB-CB 3.94Å |
| 137 | Y | 97.4 | Very high | 94.4 | Very high | 86 Ų | 86 | 43.1 Ų | 43.1 | 34% | 0.337 | 24% | 0.237 | S | C | . | . | trans | -36.3 | 123.6 | 175.3 | -54.4 | -10.8 | 0 | 0 | 0 | 113.6 | D113 M139 S154 L155 | D113-Y137 HydrophobicContact CB-CD1 3.64Å; D113-Y137 HydrophobicContact CB-CD2 4.38Å; D113-Y137 HydrophobicContact CB-CE1 4.02Å; D113-Y137 HydrophobicContact CB-CG 3.86Å; D113-Y137 WeakPolarHBondContact O-CD1 3.45Å; D113-Y137 WeakPolarHBondContact OD1-CB 3.45Å; Y137-M139 PolarHBondContact O-N 2.97Å; Y137-S154 WeakPolarHBondContact O-CA 3.38Å; Y137-S154 PolarHBondContact O-OG 3Å; Y137-S154 VanDerWaalsContact O-OG 3.09Å; Y137-L155 HydrophobicContact CD2-CD1 3.8Å; Y137-L155 HydrophobicContact CG-CD1 4.35Å; Y137-L155 PolarHBondContact O-N 3.34Å | ||
| 138 | V | 98 | Very high | 94.4 | Very high | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 102.1 | 177.4 | -166.6 | 0 | 0 | 0 | 0 | 108.8 | A111 S112 I117 H134 H136 A153 | A111-V138 HydrophobicContact CB-CB 4.02Å; A111-V138 HydrophobicContact CB-CG1 3.86Å; A111-V138 WeakPolarHBondContact CB-O 3.43Å; S112-V138 PolarHBondContact O-N 3.49Å; I117-V138 HydrophobicContact CD1-CG1 4.04Å; I117-V138 HydrophobicContact CG1-CB 4.27Å; I117-V138 HydrophobicContact CG1-CG1 3.73Å; I117-V138 HydrophobicContact CG1-CG2 4.27Å; H134-V138 HydrophobicContact CB-CG2 3.86Å; H136-V138 PolarHBondContact O-N 3.44Å; V138-A153 CarbonylContact C-O 3.54Å; V138-A153 WeakPolarHBondContact CG1-O 3.38Å |
| 139 | M | 97.5 | Very high | 94.4 | Very high | 30 Ų | 30 | 41.6 Ų | 41.6 | 15% | 0.148 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.1 | -32.9 | -170.7 | -67.2 | -68.1 | -74 | 0 | 0 | 112.9 | R97 T98 Y137 A153 L155 N212 | R97-M139 WeakPolarHBondContact CB-O 3.36Å; R97-M139 HydrophobicContact CG-SD 4.37Å; R97-M139 PolarHBondContact NH1-SD 3.38Å; T98-M139 WeakPolarHBondContact CG2-O 3.48Å; Y137-M139 PolarHBondContact O-N 2.97Å; M139-A153 PolarHBondContact N-O 3.31Å; M139-L155 HydrophobicContact CG-CD1 4.36Å; M139-L155 HydrophobicContact CG-CD2 3.7Å; M139-L155 HydrophobicContact CG-CG 3.66Å; M139-L155 HydrophobicContact SD-CD1 4.13Å; M139-L155 HydrophobicContact SD-CD2 4.29Å; M139-L155 HydrophobicContact SD-CG 4.1Å; M139-N212 VanDerWaalsContact CB-O 3.22Å; M139-N212 WeakPolarHBondContact CB-O 3.36Å; M139-N212 WeakPolarHBondContact CE-OD1 3.39Å |
| 140 | C | 97.4 | Very high | 94.6 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.5 | 138.4 | 177 | -175.6 | 0 | 0 | 0 | 0 | 110.5 | T98 S152 A153 W213 V214 | T98-C140 HydrophobicContact CG2-CB 4.2Å; T98-C140 WeakPolarHBondContact OG1-CA 3.47Å; C140-S152 CarbonylContact O-C 3.56Å; C140-S152 WeakPolarHBondContact O-CA 3.45Å; C140-A153 HydrophobicContact CB-CB 4.43Å; C140-A153 PolarHBondContact N-O 2.92Å; C140-A153 PolarHBondContact O-N 3.36Å; C140-W213 HydrophobicContact CB-CD2 4.23Å; C140-W213 HydrophobicContact CB-CE3 4.07Å; C140-V214 HydrophobicContact CB-CG1 4.41Å |
| 141 | A | 97.5 | Very high | 94.7 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 134.9 | 162.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | T98 F100 V109 A111 I117 V150 A151 | T98-A141 PolarHBondContact OG1-N 2.96Å; T98-A141 VanDerWaalsContact OG1-N 3.12Å; F100-A141 VanDerWaalsContact CD2-O 3.23Å; F100-A141 WeakPolarHBondContact CD2-O 3.45Å; V109-A141 HydrophobicContact CG2-CB 3.98Å; A111-A141 HydrophobicContact CB-CB 3.83Å; I117-A141 HydrophobicContact CD1-CB 4.35Å; I117-A141 HydrophobicContact CG1-CB 4.03Å; I117-A141 HydrophobicContact CG2-CB 3.69Å; A141-V150 HydrophobicContact CB-CG1 4.35Å; A141-A151 CarbonylContact C-O 3.59Å; A141-A151 VanDerWaalsContact CA-O 3.23Å; A141-A151 WeakPolarHBondContact CA-O 3.33Å |
| 142 | Q | 96.6 | Very high | 94.8 | Very high | 48 Ų | 48 | 36.7 Ų | 36.7 | 22% | 0.224 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 134.5 | -174.9 | -161.5 | -174.1 | 32 | 0 | 0 | 111.1 | V150 A151 | Q142-V150 CarbonylContact O-C 3.52Å; Q142-V150 WeakPolarHBondContact O-CA 3.29Å; Q142-A151 PolarHBondContact N-O 3.47Å; Q142-A151 PolarHBondContact O-N 3.42Å |
| 143 | F | 96.1 | Very high | 95 | Very high | 15 Ų | 15 | 32.1 Ų | 32.1 | 7% | 0.066 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.2 | 140.6 | 165.2 | -68.3 | -68.9 | 0 | 0 | 0 | 111.1 | H102 W107 V109 I119 V150 I164 | H102-F143 HydrophobicContact CB-CD2 3.87Å; H102-F143 HydrophobicContact CB-CE1 4.46Å; H102-F143 HydrophobicContact CB-CE2 3.68Å; H102-F143 HydrophobicContact CB-CG 4.34Å; H102-F143 HydrophobicContact CB-CZ 4Å; H102-F143 AromaticContact CD2-CD1 3.83Å; H102-F143 AromaticContact CD2-CG 3.69Å; W107-F143 HydrophobicContact CB-CZ 4.1Å; W107-F143 HydrophobicContact CE3-CE1 4.32Å; V109-F143 HydrophobicContact CB-CD2 4.12Å; V109-F143 HydrophobicContact CB-CE1 4.34Å; V109-F143 HydrophobicContact CB-CE2 3.55Å; V109-F143 HydrophobicContact CB-CZ 3.68Å; V109-F143 HydrophobicContact CG1-CD2 3.64Å; V109-F143 HydrophobicContact CG1-CE2 3.54Å; V109-F143 HydrophobicContact CG1-CG 4.34Å; V109-F143 HydrophobicContact CG1-CZ 4.16Å; I119-F143 HydrophobicContact CD1-CE1 4.37Å; I119-F143 HydrophobicContact CG2-CZ 4.25Å; F143-V150 HydrophobicContact CD1-CG2 3.68Å; F143-V150 HydrophobicContact CE1-CG2 3.94Å; F143-I164 HydrophobicContact CD1-CD1 3.89Å; F143-I164 HydrophobicContact CE1-CD1 3.79Å |
| 144 | H | 94.5 | Very high | 95.4 | Very high | 9 Ų | 9 | 30.5 Ų | 30.5 | 4% | 0.042 | 15% | 0.154 | C | C | . | . | trans | -64.2 | 146.2 | 170 | 178.9 | -85.6 | 0 | 0 | 0 | 111.1 | T146 E147 L149 F216 Y237 | H144-T146 VanDerWaalsContact C-N 3.3Å; H144-T146 PolarHBondContact CE1-OG1 3.33Å; H144-T146 PolarHBondContact ND1-N 3.46Å; H144-T146 VanDerWaalsContact ND1-N 3.16Å; H144-T146 PolarHBondContact O-N 3.26Å; H144-E147 WeakPolarHBondContact CB-O 3.36Å; H144-E147 VanDerWaalsContact CE1-CG 3.49Å; H144-E147 WeakPolarHBondContact CE1-CG 3.16Å; H144-E147 PolarHBondContact CE1-N 3.42Å; H144-E147 VanDerWaalsContact CE1-N 3.35Å; H144-E147 IonicContact CE1-OE1 3.87Å; H144-E147 IonicContact CE1-OE2 3.13Å; H144-E147 WeakPolarHBondContact ND1-CA 3.46Å; H144-E147 VanDerWaalsContact ND1-CB 3.3Å; H144-E147 WeakPolarHBondContact ND1-CB 3.35Å; H144-E147 PolarHBondContact ND1-N 2.83Å; H144-E147 PolarHBondContact ND1-O 3.42Å; H144-E147 IonicContact NE2-OE2 3.95Å; H144-L149 HydrophobicContact CB-CB 3.79Å; H144-L149 VanDerWaalsContact CB-O 3.3Å; H144-L149 WeakPolarHBondContact CB-O 3.41Å; H144-L149 PolarHBondContact N-O 3.2Å; H144-F216 HydrophobicContact CB-CD2 3.94Å; H144-F216 HydrophobicContact CB-CE1 4.33Å; H144-F216 HydrophobicContact CB-CE2 3.61Å; H144-F216 HydrophobicContact CB-CG 4.38Å; H144-F216 HydrophobicContact CB-CZ 3.81Å; H144-F216 AromaticContact CD2-CD1 3.47Å; H144-F216 VanDerWaalsContact CD2-CD1 3.47Å; H144-F216 WeakPolarHBondContact CD2-CD1 3.5Å; H144-F216 AromaticContact CD2-CE1 3.63Å; H144-F216 AromaticContact CD2-CG 3.72Å; H144-Y237 PolarHBondContact CD2-OH 2.75Å; H144-Y237 VanDerWaalsContact CD2-OH 3.23Å; H144-Y237 PolarHBondContact NE2-OH 2.93Å | ||
| 145 | P | 89.1 | Confident | 95.4 | Very high | 24 Ų | 24 | 32.1 Ų | 32.1 | 16% | 0.156 | 16% | 0.162 | C | C | . | . | S | Bend | trans | -64.8 | -20.2 | -173.5 | 21.3 | -36.1 | 0 | 0 | 0 | 117.1 | K103 F216 | K103-P145 VanDerWaalsContact NZ-CA 3.25Å; K103-P145 PolarHBondContact NZ-O 3Å; P145-F216 HydrophobicContact CG-CB 4.46Å |
| 146 | T | 88 | Confident | 95.4 | Very high | 101 Ų | 101 | 27.7 Ų | 27.7 | 62% | 0.62 | 14% | 0.139 | S | C | * | . | S | Bend | trans | -144.7 | -57.1 | -175.3 | 51.7 | 0 | 0 | 0 | 0 | 114.1 | H144 | H144-T146 VanDerWaalsContact C-N 3.3Å; H144-T146 PolarHBondContact CE1-OG1 3.33Å; H144-T146 PolarHBondContact ND1-N 3.46Å; H144-T146 VanDerWaalsContact ND1-N 3.16Å; H144-T146 PolarHBondContact O-N 3.26Å |
| 147 | E | 90.1 | Very high | 95.4 | Very high | 84 Ų | 84 | 28.8 Ų | 28.8 | 39% | 0.393 | 14% | 0.144 | S | C | . | . | S | Bend | trans | -63.1 | 156.5 | 171.4 | -53.9 | 161.6 | -169.8 | 0 | 0 | 112.9 | H144 L149 Y237 | H144-E147 WeakPolarHBondContact CB-O 3.36Å; H144-E147 VanDerWaalsContact CE1-CG 3.49Å; H144-E147 WeakPolarHBondContact CE1-CG 3.16Å; H144-E147 PolarHBondContact CE1-N 3.42Å; H144-E147 VanDerWaalsContact CE1-N 3.35Å; H144-E147 IonicContact CE1-OE1 3.87Å; H144-E147 IonicContact CE1-OE2 3.13Å; H144-E147 WeakPolarHBondContact ND1-CA 3.46Å; H144-E147 VanDerWaalsContact ND1-CB 3.3Å; H144-E147 WeakPolarHBondContact ND1-CB 3.35Å; H144-E147 PolarHBondContact ND1-N 2.83Å; H144-E147 PolarHBondContact ND1-O 3.42Å; H144-E147 IonicContact NE2-OE2 3.95Å; E147-L149 HydrophobicContact CB-CG 4.35Å; E147-L149 PolarHBondContact O-N 2.86Å; E147-L149 WeakPolarHBondContact OE2-CD1 3.22Å; E147-Y237 PolarHBondContact OE2-OH 2.93Å; E147-Y237 VanDerWaalsContact OE2-OH 3.13Å |
| 148 | D | 91.9 | Very high | 95.4 | Very high | 37 Ų | 37 | 25.3 Ų | 25.3 | 20% | 0.198 | 13% | 0.132 | C | C | . | . | S | Bend | trans | -80.4 | 55.2 | 177.9 | -54.1 | -97.7 | 0 | 0 | 0 | 113.2 | I164 R168 | D148-I164 HydrophobicContact CB-CG1 4.08Å; D148-I164 WeakPolarHBondContact O-CG1 3.48Å; D148-I164 PolarHBondContact O-N 3.33Å; D148-R168 WeakPolarHBondContact OD1-CD 3.24Å; D148-R168 IonicContact OD1-CZ 2.74Å; D148-R168 IonicContact OD1-NE 2.67Å; D148-R168 IonicContact OD1-NH1 2.87Å; D148-R168 PolarHBondContact OD1-NH1 2.93Å; D148-R168 IonicContact OD2-CZ 2.73Å; D148-R168 IonicContact OD2-NH1 2.65Å; D148-R168 PolarHBondContact OD2-NH1 3.33Å |
| 149 | L | 94.2 | Very high | 95.3 | Very high | 7 Ų | 7 | 25.4 Ų | 25.4 | 4% | 0.037 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 152.2 | 176 | -59.7 | 179.1 | 0 | 0 | 0 | 111.6 | H144 E147 W162 D163 K201 F216 Y237 | H144-L149 HydrophobicContact CB-CB 3.79Å; H144-L149 VanDerWaalsContact CB-O 3.3Å; H144-L149 WeakPolarHBondContact CB-O 3.41Å; H144-L149 PolarHBondContact N-O 3.2Å; E147-L149 HydrophobicContact CB-CG 4.35Å; E147-L149 PolarHBondContact O-N 2.86Å; E147-L149 WeakPolarHBondContact OE2-CD1 3.22Å; L149-W162 CarbonylContact C-O 3.57Å; L149-W162 VanDerWaalsContact CA-O 3.27Å; L149-W162 WeakPolarHBondContact CA-O 3.43Å; L149-D163 HydrophobicContact CD2-CB 4.29Å; L149-K201 HydrophobicContact CD2-CD 4.03Å; L149-F216 HydrophobicContact CB-CZ 4.22Å; L149-Y237 HydrophobicContact CD1-CE2 3.85Å |
| 150 | V | 96.5 | Very high | 95.3 | Very high | 0 Ų | 0 | 25.4 Ų | 25.4 | 0% | 0 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 135.7 | 162.5 | 176.9 | 0 | 0 | 0 | 0 | 107.9 | V109 I119 A141 Q142 F143 L161 W162 I164 | V109-V150 HydrophobicContact CG2-CG1 4.4Å; I119-V150 HydrophobicContact CD1-CG2 4.44Å; A141-V150 HydrophobicContact CB-CG1 4.35Å; Q142-V150 CarbonylContact O-C 3.52Å; Q142-V150 WeakPolarHBondContact O-CA 3.29Å; F143-V150 HydrophobicContact CD1-CG2 3.68Å; F143-V150 HydrophobicContact CE1-CG2 3.94Å; V150-L161 CarbonylContact O-C 3.55Å; V150-L161 WeakPolarHBondContact O-CA 3.27Å; V150-W162 HydrophobicContact CB-CB 4.29Å; V150-W162 PolarHBondContact N-O 2.98Å; V150-W162 PolarHBondContact O-N 2.79Å; V150-I164 HydrophobicContact CG2-CD1 3.99Å; V150-I164 HydrophobicContact CG2-CG2 3.9Å |
| 151 | A | 96.7 | Very high | 95.2 | Very high | 0 Ų | 0 | 25.4 Ų | 25.4 | 0% | 0 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 142.3 | 165.5 | 0 | 0 | 0 | 0 | 0 | 109.6 | A141 Q142 R160 L161 V214 F216 | A141-A151 CarbonylContact C-O 3.59Å; A141-A151 VanDerWaalsContact CA-O 3.23Å; A141-A151 WeakPolarHBondContact CA-O 3.33Å; Q142-A151 PolarHBondContact N-O 3.47Å; Q142-A151 PolarHBondContact O-N 3.42Å; A151-R160 CarbonylContact C-O 3.53Å; A151-R160 VanDerWaalsContact CA-O 3.32Å; A151-R160 WeakPolarHBondContact CA-O 3.41Å; A151-L161 HydrophobicContact CB-CD2 3.62Å; A151-V214 HydrophobicContact CB-CG1 3.95Å; A151-V214 HydrophobicContact CB-CG2 3.76Å; A151-F216 HydrophobicContact CB-CD2 4.14Å; A151-F216 HydrophobicContact CB-CE1 4.16Å; A151-F216 HydrophobicContact CB-CE2 3.38Å; A151-F216 HydrophobicContact CB-CZ 3.41Å; A151-F216 VanDerWaalsContact CB-CZ 3.41Å |
| 152 | S | 97.7 | Very high | 95.1 | Very high | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 143.1 | 171.5 | 58.1 | 0 | 0 | 0 | 0 | 112.7 | I117 H134 C140 V159 R160 W162 | I117-S152 WeakPolarHBondContact CD1-OG 3.39Å; H134-S152 PolarHBondContact NE2-OG 3.07Å; C140-S152 CarbonylContact O-C 3.56Å; C140-S152 WeakPolarHBondContact O-CA 3.45Å; S152-V159 CarbonylContact O-C 3.6Å; S152-V159 WeakPolarHBondContact O-CA 3.29Å; S152-V159 WeakPolarHBondContact O-CG1 3.29Å; S152-R160 PolarHBondContact N-O 2.81Å; S152-R160 PolarHBondContact O-N 3.29Å; S152-W162 PolarHBondContact OG-NE1 3.46Å |
| 153 | A | 97.4 | Very high | 95 | Very high | 0 Ų | 0 | 25.7 Ų | 25.7 | 0% | 0 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 134.2 | 172.4 | 0 | 0 | 0 | 0 | 0 | 109.6 | V138 M139 C140 V159 V211 V214 | V138-A153 CarbonylContact C-O 3.54Å; V138-A153 WeakPolarHBondContact CG1-O 3.38Å; M139-A153 PolarHBondContact N-O 3.31Å; C140-A153 HydrophobicContact CB-CB 4.43Å; C140-A153 PolarHBondContact N-O 2.92Å; C140-A153 PolarHBondContact O-N 3.36Å; A153-V159 HydrophobicContact CB-CG2 4.16Å; A153-V211 HydrophobicContact CB-CB 3.95Å; A153-V211 HydrophobicContact CB-CG1 3.66Å; A153-V214 HydrophobicContact CB-CB 4.04Å; A153-V214 HydrophobicContact CB-CG1 4.12Å |
| 154 | S | 97.9 | Very high | 94.8 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 157.5 | 178.8 | 172.5 | 0 | 0 | 0 | 0 | 111.7 | H134 H136 Y137 D156 Q157 T158 V211 | H134-S154 VanDerWaalsContact CE1-CB 3.43Å; H134-S154 WeakPolarHBondContact CE1-CB 3.41Å; H134-S154 WeakPolarHBondContact ND1-CB 3.41Å; H136-S154 PolarHBondContact O-OG 3.36Å; Y137-S154 WeakPolarHBondContact O-CA 3.38Å; Y137-S154 PolarHBondContact O-OG 3Å; Y137-S154 VanDerWaalsContact O-OG 3.09Å; S154-D156 VanDerWaalsContact CB-OD1 3.31Å; S154-D156 WeakPolarHBondContact CB-OD1 3.47Å; S154-D156 PolarHBondContact O-N 3.31Å; S154-D156 PolarHBondContact OG-N 2.93Å; S154-D156 VanDerWaalsContact OG-N 3.08Å; S154-D156 PolarHBondContact OG-OD1 2.98Å; S154-Q157 PolarHBondContact O-N 2.74Å; S154-T158 PolarHBondContact N-O 2.96Å; S154-V211 CarbonylContact C-O 3.49Å; S154-V211 PolarHBondContact O-N 3.38Å |
| 155 | L | 97 | Very high | 94.7 | Very high | 40 Ų | 40 | 26 Ų | 26 | 21% | 0.209 | 14% | 0.138 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.5 | -5.7 | 169.1 | -60.2 | -175.8 | 0 | 0 | 0 | 113.2 | H136 Y137 M139 Q157 | H136-L155 HydrophobicContact CB-CB 4.14Å; H136-L155 WeakPolarHBondContact ND1-CB 3.36Å; Y137-L155 HydrophobicContact CD2-CD1 3.8Å; Y137-L155 HydrophobicContact CG-CD1 4.35Å; Y137-L155 PolarHBondContact O-N 3.34Å; M139-L155 HydrophobicContact CG-CD1 4.36Å; M139-L155 HydrophobicContact CG-CD2 3.7Å; M139-L155 HydrophobicContact CG-CG 3.66Å; M139-L155 HydrophobicContact SD-CD1 4.13Å; M139-L155 HydrophobicContact SD-CD2 4.29Å; M139-L155 HydrophobicContact SD-CG 4.1Å; L155-Q157 PolarHBondContact O-N 2.99Å; L155-Q157 VanDerWaalsContact O-N 3.08Å |
| 156 | D | 96 | Very high | 94.6 | Very high | 27 Ų | 27 | 25.9 Ų | 25.9 | 14% | 0.144 | 14% | 0.141 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.1 | 11.5 | 168.8 | 76.7 | 4.8 | 0 | 0 | 0 | 114.2 | H134 N135 H136 S154 T158 R160 | H134-D156 VanDerWaalsContact CA-OD2 3.27Å; H134-D156 WeakPolarHBondContact CA-OD2 3.36Å; H134-D156 IonicContact CE1-OD1 2.71Å; H134-D156 IonicContact CE1-OD2 3.51Å; H134-D156 IonicContact CG-OD2 2.73Å; H134-D156 IonicContact ND1-OD1 3.41Å; H134-D156 PolarHBondContact ND1-OD1 3.39Å; H134-D156 IonicContact ND1-OD2 3.81Å; H134-D156 PolarHBondContact ND1-OD2 2.97Å; N135-D156 HydrophobicContact CB-CB 4.15Å; N135-D156 PolarHBondContact N-OD2 3.37Å; H136-D156 HydrophobicContact CB-CB 3.94Å; S154-D156 VanDerWaalsContact CB-OD1 3.31Å; S154-D156 WeakPolarHBondContact CB-OD1 3.47Å; S154-D156 PolarHBondContact O-N 3.31Å; S154-D156 PolarHBondContact OG-N 2.93Å; S154-D156 VanDerWaalsContact OG-N 3.08Å; S154-D156 PolarHBondContact OG-OD1 2.98Å; D156-T158 PolarHBondContact O-N 3.42Å; D156-T158 WeakPolarHBondContact OD1-CB 3.42Å; D156-T158 PolarHBondContact OD1-N 3.29Å; D156-T158 PolarHBondContact OD1-OG1 2.86Å; D156-T158 PolarHBondContact OD2-OG1 3.25Å; D156-R160 IonicContact OD2-NH2 3.54Å; D156-R160 PolarHBondContact OD2-NH2 2.87Å |
| 157 | Q | 96.6 | Very high | 94.6 | Very high | 97 Ų | 97 | 21 Ų | 21 | 45% | 0.453 | 11% | 0.112 | S | C | . | . | S | Bend | trans | 70.9 | -0.8 | 179.5 | -44.1 | 178.1 | 5 | 0 | 0 | 114.3 | S154 L155 | S154-Q157 PolarHBondContact O-N 2.74Å; L155-Q157 PolarHBondContact O-N 2.99Å; L155-Q157 VanDerWaalsContact O-N 3.08Å |
| 158 | T | 96.4 | Very high | 94.4 | Very high | 13 Ų | 13 | 20.1 Ų | 20.1 | 8% | 0.08 | 11% | 0.105 | C | C | . | . | trans | -101.6 | 149.4 | 179.9 | 77 | 0 | 0 | 0 | 0 | 112.9 | H134 S154 D156 R160 V203 L204 E205 | H134-T158 PolarHBondContact CE1-OG1 3.15Å; H134-T158 VanDerWaalsContact CE1-OG1 3.3Å; H134-T158 PolarHBondContact ND1-OG1 3.01Å; S154-T158 PolarHBondContact N-O 2.96Å; D156-T158 PolarHBondContact O-N 3.42Å; D156-T158 WeakPolarHBondContact OD1-CB 3.42Å; D156-T158 PolarHBondContact OD1-N 3.29Å; D156-T158 PolarHBondContact OD1-OG1 2.86Å; D156-T158 PolarHBondContact OD2-OG1 3.25Å; T158-R160 PolarHBondContact OG1-NE 2.98Å; T158-V203 HydrophobicContact CG2-CG1 4.03Å; T158-L204 WeakPolarHBondContact CA-O 3.42Å; T158-E205 HydrophobicContact CG2-CG 4.16Å | ||
| 159 | V | 96.7 | Very high | 94.1 | Very high | 1 Ų | 1 | 24.9 Ų | 24.9 | 1% | 0.006 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 138.6 | 156.6 | 171.2 | 0 | 0 | 0 | 0 | 108.2 | S152 A153 L204 V211 V214 | S152-V159 CarbonylContact O-C 3.6Å; S152-V159 WeakPolarHBondContact O-CA 3.29Å; S152-V159 WeakPolarHBondContact O-CG1 3.29Å; A153-V159 HydrophobicContact CB-CG2 4.16Å; V159-L204 HydrophobicContact CB-CB 3.98Å; V159-L204 HydrophobicContact CB-CD2 4.11Å; V159-L204 HydrophobicContact CG1-CD2 3.89Å; V159-L204 PolarHBondContact N-O 3.21Å; V159-L204 WeakPolarHBondContact O-CB 3.38Å; V159-L204 PolarHBondContact O-N 2.92Å; V159-V211 HydrophobicContact CG2-CB 4.31Å; V159-V211 HydrophobicContact CG2-CG1 3.79Å; V159-V211 HydrophobicContact CG2-CG2 4.31Å; V159-V214 HydrophobicContact CG1-CB 4.43Å; V159-V214 HydrophobicContact CG1-CG2 3.81Å |
| 160 | R | 96.4 | Very high | 93.5 | Very high | 30 Ų | 30 | 31.1 Ų | 31.1 | 11% | 0.113 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 138.1 | 179.6 | -64 | -175.7 | -169.2 | -163.8 | 13.4 | 111.3 | G133 H134 A151 S152 D156 T158 W162 V200 H202 V203 | G133-R160 PolarHBondContact O-NH1 3.36Å; G133-R160 PolarHBondContact O-NH2 2.85Å; H134-R160 PolarHBondContact ND1-NE 3.47Å; A151-R160 CarbonylContact C-O 3.53Å; A151-R160 VanDerWaalsContact CA-O 3.32Å; A151-R160 WeakPolarHBondContact CA-O 3.41Å; S152-R160 PolarHBondContact N-O 2.81Å; S152-R160 PolarHBondContact O-N 3.29Å; D156-R160 IonicContact OD2-NH2 3.54Å; D156-R160 PolarHBondContact OD2-NH2 2.87Å; T158-R160 PolarHBondContact OG1-NE 2.98Å; R160-W162 HydrophobicContact CB-CZ2 4.21Å; R160-V200 HydrophobicContact CB-CG1 4.49Å; R160-H202 WeakPolarHBondContact CA-O 3.41Å; R160-V203 HydrophobicContact CG-CG1 4.25Å; R160-V203 HydrophobicContact CG-CG2 4.29Å |
| 161 | L | 96.2 | Very high | 92.7 | Very high | 1 Ų | 1 | 34.4 Ų | 34.4 | 1% | 0.005 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 122.6 | 170.3 | -58.5 | -177.3 | 0 | 0 | 0 | 108.3 | V150 A151 V200 K201 H202 L204 F216 V223 Y237 V242 | V150-L161 CarbonylContact O-C 3.55Å; V150-L161 WeakPolarHBondContact O-CA 3.27Å; A151-L161 HydrophobicContact CB-CD2 3.62Å; L161-V200 CarbonylContact O-C 3.49Å; L161-K201 PolarHBondContact O-N 3.37Å; L161-H202 HydrophobicContact CB-CB 4.27Å; L161-H202 HydrophobicContact CD1-CB 4.45Å; L161-H202 PolarHBondContact N-O 3.23Å; L161-H202 PolarHBondContact O-N 3.28Å; L161-L204 HydrophobicContact CD1-CD1 4.27Å; L161-L204 HydrophobicContact CG-CD1 4.04Å; L161-F216 HydrophobicContact CD2-CE1 3.93Å; L161-F216 HydrophobicContact CD2-CZ 3.9Å; L161-V223 HydrophobicContact CD2-CG2 4.23Å; L161-Y237 HydrophobicContact CD1-CD1 4.25Å; L161-Y237 HydrophobicContact CD1-CG 4.07Å; L161-V242 HydrophobicContact CD1-CG2 4.23Å |
| 162 | W | 95.4 | Very high | 91.4 | Very high | 8 Ų | 8 | 36.8 Ų | 36.8 | 3% | 0.03 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 130.4 | -178.2 | -48.5 | 76.2 | 0 | 0 | 0 | 109.3 | I117 L131 T132 L149 V150 S152 R160 V198 V199 V200 | I117-W162 HydrophobicContact CD1-CZ2 3.99Å; L131-W162 HydrophobicContact CB-CD2 4.28Å; L131-W162 HydrophobicContact CB-CE3 3.93Å; L131-W162 HydrophobicContact CB-CH2 4.08Å; L131-W162 HydrophobicContact CB-CZ2 4.4Å; L131-W162 HydrophobicContact CB-CZ3 3.82Å; L131-W162 HydrophobicContact CD2-CB 4.06Å; L131-W162 HydrophobicContact CD2-CD2 3.71Å; L131-W162 HydrophobicContact CD2-CE3 3.95Å; L131-W162 HydrophobicContact CD2-CG 3.75Å; L131-W162 HydrophobicContact CG-CD2 4.14Å; L131-W162 HydrophobicContact CG-CE3 3.85Å; L131-W162 HydrophobicContact CG-CZ3 4.23Å; T132-W162 WeakPolarHBondContact O-CH2 3.4Å; L149-W162 CarbonylContact C-O 3.57Å; L149-W162 VanDerWaalsContact CA-O 3.27Å; L149-W162 WeakPolarHBondContact CA-O 3.43Å; V150-W162 HydrophobicContact CB-CB 4.29Å; V150-W162 PolarHBondContact N-O 2.98Å; V150-W162 PolarHBondContact O-N 2.79Å; S152-W162 PolarHBondContact OG-NE1 3.46Å; R160-W162 HydrophobicContact CB-CZ2 4.21Å; W162-V198 HydrophobicContact CB-CG1 4.02Å; W162-V198 HydrophobicContact CE3-CG1 4.26Å; W162-V199 CarbonylContact C-O 3.47Å; W162-V199 VanDerWaalsContact CA-O 3.27Å; W162-V199 WeakPolarHBondContact CA-O 3.15Å; W162-V200 HydrophobicContact CD2-CG2 4.05Å; W162-V200 HydrophobicContact CE3-CB 4.48Å; W162-V200 HydrophobicContact CE3-CG2 3.48Å; W162-V200 VanDerWaalsContact CE3-CG2 3.48Å; W162-V200 HydrophobicContact CH2-CG2 3.69Å; W162-V200 HydrophobicContact CZ2-CG2 4.23Å; W162-V200 HydrophobicContact CZ3-CG2 3.29Å |
| 163 | D | 93.6 | Very high | 89.5 | Confident | 45 Ų | 45 | 40.9 Ų | 40.9 | 24% | 0.241 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.5 | 120 | 170.4 | -169.5 | -39.7 | 0 | 0 | 0 | 109.1 | L149 S165 V198 V199 K201 | L149-D163 HydrophobicContact CD2-CB 4.29Å; D163-S165 WeakPolarHBondContact OD1-CB 3.45Å; D163-S165 PolarHBondContact OD1-N 2.94Å; D163-S165 PolarHBondContact OD1-OG 3.42Å; D163-V198 WeakPolarHBondContact O-CA 3.26Å; D163-V198 WeakPolarHBondContact O-CG1 3.43Å; D163-V199 PolarHBondContact N-O 3.33Å; D163-V199 PolarHBondContact O-N 3.03Å; D163-V199 VanDerWaalsContact O-N 3.11Å; D163-K201 HydrophobicContact CB-CB 4.33Å |
| 164 | I | 93.3 | Very high | 87.2 | Confident | 2 Ų | 2 | 45.6 Ų | 45.6 | 1% | 0.01 | 25% | 0.247 | C | C | . | . | trans | -109.6 | 15.9 | 179.4 | 62 | 165.8 | 0 | 0 | 0 | 112.2 | W107 I119 F143 D148 V150 G166 L167 R168 V198 | W107-I164 HydrophobicContact CE3-CD1 4.42Å; W107-I164 HydrophobicContact CZ3-CD1 3.89Å; I119-I164 HydrophobicContact CD1-CG2 3.84Å; F143-I164 HydrophobicContact CD1-CD1 3.89Å; F143-I164 HydrophobicContact CE1-CD1 3.79Å; D148-I164 HydrophobicContact CB-CG1 4.08Å; D148-I164 WeakPolarHBondContact O-CG1 3.48Å; D148-I164 PolarHBondContact O-N 3.33Å; V150-I164 HydrophobicContact CG2-CD1 3.99Å; V150-I164 HydrophobicContact CG2-CG2 3.9Å; I164-G166 VanDerWaalsContact C-N 3.3Å; I164-G166 PolarHBondContact O-N 2.95Å; I164-L167 HydrophobicContact CB-CB 4.46Å; I164-L167 WeakPolarHBondContact O-CB 3.36Å; I164-L167 PolarHBondContact O-N 2.84Å; I164-R168 PolarHBondContact O-N 3.26Å; I164-V198 HydrophobicContact CG2-CB 4.48Å; I164-V198 HydrophobicContact CG2-CG1 3.75Å; I164-V198 HydrophobicContact CG2-CG2 3.99Å | ||
| 165 | S | 91 | Very high | 85 | Confident | 28 Ų | 28 | 48.1 Ų | 48.1 | 20% | 0.196 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -66.1 | -30.1 | -179 | 67.6 | 0 | 0 | 0 | 0 | 113 | D163 R168 K169 | D163-S165 WeakPolarHBondContact OD1-CB 3.45Å; D163-S165 PolarHBondContact OD1-N 2.94Å; D163-S165 PolarHBondContact OD1-OG 3.42Å; S165-R168 PolarHBondContact O-N 3.45Å; S165-K169 VanDerWaalsContact O-CG 3.3Å; S165-K169 WeakPolarHBondContact O-CG 3.32Å; S165-K169 PolarHBondContact O-N 2.93Å |
| 166 | G | 87.8 | Confident | 82.5 | Confident | 22 Ų | 22 | 52.5 Ų | 52.5 | 23% | 0.227 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -61 | -50.8 | 170.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | I164 R168 K169 K170 D197 | I164-G166 VanDerWaalsContact C-N 3.3Å; I164-G166 PolarHBondContact O-N 2.95Å; G166-R168 VanDerWaalsContact C-N 3.26Å; G166-R168 PolarHBondContact O-N 3.44Å; G166-K169 PolarHBondContact O-N 3.46Å; G166-K169 VanDerWaalsContact O-N 3.08Å; G166-K170 PolarHBondContact O-N 3.41Å; G166-D197 CarbonylContact C-O 3.55Å; G166-D197 WeakPolarHBondContact CA-O 3.37Å |
| 167 | L | 88.4 | Confident | 80.2 | Confident | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -58 | -36.8 | 176.8 | -167.9 | 70 | 0 | 0 | 0 | 112.5 | W107 I119 I128 A129 I164 N171 D197 V198 | W107-L167 HydrophobicContact CH2-CD2 4.44Å; W107-L167 HydrophobicContact CH2-CG 4.34Å; W107-L167 HydrophobicContact CZ3-CD2 4.5Å; I119-L167 HydrophobicContact CB-CD2 4.26Å; I119-L167 HydrophobicContact CD1-CD2 3.76Å; I119-L167 HydrophobicContact CG2-CD2 4.07Å; I128-L167 HydrophobicContact CB-CD1 4.45Å; I128-L167 HydrophobicContact CD1-CD1 4.3Å; I128-L167 HydrophobicContact CD1-CD2 3.89Å; I128-L167 HydrophobicContact CD1-CG 4.12Å; I128-L167 HydrophobicContact CG1-CD1 4.41Å; I128-L167 HydrophobicContact CG1-CD2 4.23Å; I128-L167 WeakPolarHBondContact O-CD1 3.48Å; A129-L167 HydrophobicContact CB-CD1 3.93Å; A129-L167 HydrophobicContact CB-CD2 3.79Å; I164-L167 HydrophobicContact CB-CB 4.46Å; I164-L167 WeakPolarHBondContact O-CB 3.36Å; I164-L167 PolarHBondContact O-N 2.84Å; L167-N171 WeakPolarHBondContact CD1-ND2 3.28Å; L167-N171 WeakPolarHBondContact O-CB 3.35Å; L167-N171 PolarHBondContact O-N 3.31Å; L167-N171 VanDerWaalsContact O-N 3.09Å; L167-N171 PolarHBondContact O-ND2 3.42Å; L167-D197 HydrophobicContact CB-CB 4.27Å; L167-D197 HydrophobicContact CD1-CB 4.02Å; L167-D197 PolarHBondContact N-O 3.27Å; L167-V198 HydrophobicContact CB-CG2 4.1Å; L167-V198 HydrophobicContact CD2-CG2 4.18Å |
| 168 | R | 85.9 | Confident | 78.1 | Confident | 65 Ų | 65 | 52 Ų | 52 | 25% | 0.245 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -63.1 | -55.2 | 171 | -172.4 | -167 | 69 | -108.9 | 17.6 | 111.2 | Y105 W107 D148 I164 S165 G166 K170 N171 V172 | Y105-R168 HydrophobicContact CE2-CG 3.96Å; Y105-R168 WeakPolarHBondContact OH-CD 3.49Å; W107-R168 HydrophobicContact CH2-CB 4.07Å; D148-R168 WeakPolarHBondContact OD1-CD 3.24Å; D148-R168 IonicContact OD1-CZ 2.74Å; D148-R168 IonicContact OD1-NE 2.67Å; D148-R168 IonicContact OD1-NH1 2.87Å; D148-R168 PolarHBondContact OD1-NH1 2.93Å; D148-R168 IonicContact OD2-CZ 2.73Å; D148-R168 IonicContact OD2-NH1 2.65Å; D148-R168 PolarHBondContact OD2-NH1 3.33Å; I164-R168 PolarHBondContact O-N 3.26Å; S165-R168 PolarHBondContact O-N 3.45Å; G166-R168 VanDerWaalsContact C-N 3.26Å; G166-R168 PolarHBondContact O-N 3.44Å; R168-K170 PolarHBondContact O-N 2.77Å; R168-K170 VanDerWaalsContact O-N 3.11Å; R168-N171 PolarHBondContact O-N 2.79Å; R168-V172 HydrophobicContact CG-CB 4.13Å; R168-V172 HydrophobicContact CG-CG2 3.8Å; R168-V172 WeakPolarHBondContact O-CB 3.49Å; R168-V172 PolarHBondContact O-N 3.04Å |
| 169 | K | 84.1 | Confident | 75.7 | Confident | 137 Ų | 137 | 58.8 Ų | 58.8 | 60% | 0.596 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -55.9 | -29.5 | -177.6 | -72.7 | 167.5 | -179.7 | 174.1 | 0 | 112.7 | S165 G166 | S165-K169 VanDerWaalsContact O-CG 3.3Å; S165-K169 WeakPolarHBondContact O-CG 3.32Å; S165-K169 PolarHBondContact O-N 2.93Å; G166-K169 PolarHBondContact O-N 3.46Å; G166-K169 VanDerWaalsContact O-N 3.08Å |
| 170 | K | 82.8 | Confident | 73.8 | Confident | 138 Ų | 138 | 64.4 Ų | 64.4 | 60% | 0.6 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -83.5 | -41.1 | 178.3 | -175.8 | 171.4 | 178.4 | 176 | 0 | 114.6 | G166 R168 D197 | G166-K170 PolarHBondContact O-N 3.41Å; R168-K170 PolarHBondContact O-N 2.77Å; R168-K170 VanDerWaalsContact O-N 3.11Å; K170-D197 WeakPolarHBondContact CD-OD1 3.44Å; K170-D197 WeakPolarHBondContact CD-OD2 3.47Å; K170-D197 IonicContact NZ-OD1 2.69Å; K170-D197 PolarHBondContact NZ-OD1 3.19Å; K170-D197 IonicContact NZ-OD2 3.14Å; K170-D197 PolarHBondContact NZ-OD2 3.3Å |
| 171 | N | 78.8 | Confident | 71.9 | Confident | 69 Ų | 69 | 67.5 Ų | 67.5 | 37% | 0.369 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -102.1 | -14.7 | -171.1 | -67.9 | -74.7 | 0 | 0 | 0 | 114.9 | W107 L167 R168 | W107-N171 HydrophobicContact CZ2-CB 4.23Å; L167-N171 WeakPolarHBondContact CD1-ND2 3.28Å; L167-N171 WeakPolarHBondContact O-CB 3.35Å; L167-N171 PolarHBondContact O-N 3.31Å; L167-N171 VanDerWaalsContact O-N 3.09Å; L167-N171 PolarHBondContact O-ND2 3.42Å; R168-N171 PolarHBondContact O-N 2.79Å |
| 172 | V | 71 | Confident | 69.9 | Low | 50 Ų | 50 | 75 Ų | 75 | 30% | 0.303 | 41% | 0.413 | S | S | . | . | S | Bend | trans | -105 | 121.2 | 176.5 | -175.4 | 0 | 0 | 0 | 0 | 107.6 | Y105 W107 R168 | Y105-V172 HydrophobicContact CD1-CG2 3.85Å; Y105-V172 HydrophobicContact CE1-CG1 4.41Å; Y105-V172 HydrophobicContact CE1-CG2 4.02Å; Y105-V172 HydrophobicContact CG-CG2 4.26Å; W107-V172 HydrophobicContact CZ2-CG2 4.22Å; R168-V172 HydrophobicContact CG-CB 4.13Å; R168-V172 HydrophobicContact CG-CG2 3.8Å; R168-V172 WeakPolarHBondContact O-CB 3.49Å; R168-V172 PolarHBondContact O-N 3.04Å |
| 173 | A | 57.5 | Low | 67.9 | Low | 85 Ų | 85 | 78.6 Ų | 78.6 | 70% | 0.702 | 43% | 0.432 | S | S | * | . | P | Polyproline II helix | trans | -52.7 | 137.1 | 179.4 | 0 | 0 | 0 | 0 | 0 | 110.3 | G175 | A173-G175 PolarHBondContact O-N 3.38Å; A173-G175 VanDerWaalsContact O-N 3.07Å |
| 174 | P | 48.9 | Very low | 66 | Low | 100 Ų | 100 | 79.8 Ų | 79.8 | 65% | 0.649 | 45% | 0.448 | S | S | * | . | P | Polyproline II helix | trans | -58.8 | 119.9 | -179.1 | -20.5 | 30.7 | 0 | 0 | 0 | 110 | ||
| 175 | G | 52.1 | Low | 64 | Low | 52 Ų | 52 | 87.7 Ų | 87.7 | 54% | 0.536 | 48% | 0.478 | S | S | . | . | P | Polyproline II helix | trans | -59.6 | 173.5 | 160.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | A173 A177 | A173-G175 PolarHBondContact O-N 3.38Å; A173-G175 VanDerWaalsContact O-N 3.07Å; G175-A177 VanDerWaalsContact C-N 3.29Å; G175-A177 PolarHBondContact O-N 2.9Å |
| 176 | P | 44.5 | Very low | 62 | Low | 133 Ų | 133 | 92.2 Ų | 92.2 | 86% | 0.864 | 50% | 0.504 | S | S | * | . | trans | -63.6 | 91.2 | 178.5 | 27.4 | -34.4 | 0 | 0 | 0 | 110.3 | T178 | P176-T178 PolarHBondContact O-N 3.07Š| ||
| 177 | A | 45.8 | Very low | 59.8 | Low | 24 Ų | 24 | 95.4 Ų | 95.4 | 20% | 0.198 | 52% | 0.523 | C | S | . | . | trans | -56.6 | 134.3 | 178.6 | 0 | 0 | 0 | 0 | 0 | 109.7 | G175 E181 | G175-A177 VanDerWaalsContact C-N 3.29Å; G175-A177 PolarHBondContact O-N 2.9Å; A177-E181 HydrophobicContact CB-CB 4.05Å; A177-E181 WeakPolarHBondContact CB-OE2 3.5Å | ||
| 178 | T | 52.5 | Low | 57.4 | Low | 88 Ų | 88 | 98.7 Ų | 98.7 | 54% | 0.54 | 56% | 0.556 | S | S | . | * | trans | -58.5 | 156.5 | 173.5 | 50.3 | 0 | 0 | 0 | 0 | 110 | P176 D180 E181 R182 | P176-T178 PolarHBondContact O-N 3.07Å; T178-D180 PolarHBondContact O-N 3.24Å; T178-E181 PolarHBondContact O-N 3.42Å; T178-E181 VanDerWaalsContact O-N 3.09Å; T178-R182 PolarHBondContact O-N 2.84Å | ||
| 179 | F | 47.1 | Very low | 55.1 | Low | 157 Ų | 157 | 105 Ų | 105 | 69% | 0.689 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -54.3 | -38.1 | -178.6 | -176.4 | -109.1 | 0 | 0 | 0 | 111.9 | E181 R182 I183 | F179-E181 PolarHBondContact O-N 3Å; F179-R182 WeakPolarHBondContact O-CB 3.49Å; F179-R182 PolarHBondContact O-N 3.1Å; F179-R182 VanDerWaalsContact O-N 3.11Å; F179-I183 HydrophobicContact CD1-CD1 3.86Å; F179-I183 HydrophobicContact CE1-CD1 3.52Å; F179-I183 HydrophobicContact CE1-CG1 4.48Å; F179-I183 HydrophobicContact CZ-CD1 4.09Å; F179-I183 PolarHBondContact O-N 3.24Å |
| 180 | D | 57.1 | Low | 52.7 | Low | 118 Ų | 118 | 103.2 Ų | 103.2 | 63% | 0.631 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -64.3 | -37.7 | 178.4 | -50.4 | -45.3 | 0 | 0 | 0 | 113.4 | T178 R182 I183 A184 | T178-D180 PolarHBondContact O-N 3.24Å; D180-R182 PolarHBondContact O-N 3.14Å; D180-I183 PolarHBondContact O-N 2.92Å; D180-A184 PolarHBondContact O-N 3.19Å |
| 181 | E | 56.1 | Low | 50.7 | Low | 95 Ų | 95 | 102.2 Ų | 102.2 | 44% | 0.444 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -66.3 | -24.6 | 174.6 | -89.7 | -160.4 | 130.5 | 0 | 0 | 112.7 | A177 T178 F179 R185 | A177-E181 HydrophobicContact CB-CB 4.05Å; A177-E181 WeakPolarHBondContact CB-OE2 3.5Å; T178-E181 PolarHBondContact O-N 3.42Å; T178-E181 VanDerWaalsContact O-N 3.09Å; F179-E181 PolarHBondContact O-N 3Å; E181-R185 WeakPolarHBondContact O-CG 3.31Å |
| 182 | R | 54.2 | Low | 49 | Very low | 160 Ų | 160 | 106.6 Ų | 106.6 | 60% | 0.604 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -77.6 | -38.2 | 175.3 | -59.9 | -173.8 | -171.2 | -167.5 | 1 | 111.6 | T178 F179 D180 R185 T186 | T178-R182 PolarHBondContact O-N 2.84Å; F179-R182 WeakPolarHBondContact O-CB 3.49Å; F179-R182 PolarHBondContact O-N 3.1Å; F179-R182 VanDerWaalsContact O-N 3.11Å; D180-R182 PolarHBondContact O-N 3.14Å; R182-R185 PolarHBondContact O-N 3.15Å; R182-T186 PolarHBondContact O-OG1 2.9Å; R182-T186 VanDerWaalsContact O-OG1 3.08Å |
| 183 | I | 53.7 | Low | 48 | Very low | 82 Ų | 82 | 112.4 Ų | 112.4 | 42% | 0.421 | 65% | 0.645 | S | S | . | * | H | α-helix | trans | -64 | -46.7 | 175.5 | -66.2 | 173.7 | 0 | 0 | 0 | 110 | F179 D180 R185 T186 S187 | F179-I183 HydrophobicContact CD1-CD1 3.86Å; F179-I183 HydrophobicContact CE1-CD1 3.52Å; F179-I183 HydrophobicContact CE1-CG1 4.48Å; F179-I183 HydrophobicContact CZ-CD1 4.09Å; F179-I183 PolarHBondContact O-N 3.24Å; D180-I183 PolarHBondContact O-N 2.92Å; I183-R185 PolarHBondContact O-N 3.2Å; I183-R185 VanDerWaalsContact O-N 3.1Å; I183-T186 PolarHBondContact O-N 3.37Å; I183-T186 PolarHBondContact O-OG1 2.7Å; I183-S187 PolarHBondContact O-N 2.8Å; I183-S187 PolarHBondContact O-OG 3.23Å |
| 184 | A | 53.9 | Low | 47.9 | Very low | 70 Ų | 70 | 111.7 Ų | 111.7 | 58% | 0.579 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -58.4 | -27.7 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | D180 | D180-A184 PolarHBondContact O-N 3.19Å |
| 185 | R | 51.6 | Low | 48.6 | Very low | 169 Ų | 169 | 114.6 Ų | 114.6 | 64% | 0.638 | 65% | 0.65 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.9 | -12.2 | 176.5 | -70.6 | 179.2 | -169.5 | -156.9 | 3.9 | 114.5 | E181 R182 I183 | E181-R185 WeakPolarHBondContact O-CG 3.31Å; R182-R185 PolarHBondContact O-N 3.15Å; I183-R185 PolarHBondContact O-N 3.2Å; I183-R185 VanDerWaalsContact O-N 3.1Å |
| 186 | T | 48.7 | Very low | 49.9 | Very low | 122 Ų | 122 | 116 Ų | 116 | 75% | 0.748 | 65% | 0.65 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.9 | -6.3 | -179.6 | 27.5 | 0 | 0 | 0 | 0 | 113.6 | R182 I183 | R182-T186 PolarHBondContact O-OG1 2.9Å; R182-T186 VanDerWaalsContact O-OG1 3.08Å; I183-T186 PolarHBondContact O-N 3.37Å; I183-T186 PolarHBondContact O-OG1 2.7Å |
| 187 | S | 42 | Very low | 51.8 | Low | 90 Ų | 90 | 112.1 Ų | 112.1 | 63% | 0.629 | 62% | 0.622 | S | S | * | * | S | Bend | trans | -141.8 | 74.8 | -178 | 62.5 | 0 | 0 | 0 | 0 | 112.3 | I183 | I183-S187 PolarHBondContact O-N 2.8Å; I183-S187 PolarHBondContact O-OG 3.23Å |
| 188 | G | 36.9 | Very low | 53.9 | Low | 68 Ų | 68 | 112.2 Ų | 112.2 | 70% | 0.701 | 62% | 0.62 | S | S | * | * | S | Bend | trans | -168.2 | 136.9 | 174.7 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||
| 189 | Q | 37.4 | Very low | 55.7 | Low | 197 Ų | 197 | 111.4 Ų | 111.4 | 92% | 0.921 | 62% | 0.615 | S | S | * | * | trans | -57.5 | 140.3 | -172 | -70.7 | 170.8 | -55.5 | 0 | 0 | 112 | D191 | Q189-D191 VanDerWaalsContact C-N 3.33Å; Q189-D191 PolarHBondContact O-N 3.33Å | ||
| 190 | A | 34.9 | Very low | 57.9 | Low | 101 Ų | 101 | 106.3 Ų | 106.3 | 84% | 0.835 | 60% | 0.597 | S | S | * | * | trans | -70.1 | 92.1 | 168.8 | 0 | 0 | 0 | 0 | 0 | 108.9 | L192 | A190-L192 PolarHBondContact O-N 2.82Š| ||
| 191 | D | 39.7 | Very low | 59.5 | Low | 116 Ų | 116 | 103.4 Ų | 103.4 | 62% | 0.62 | 58% | 0.578 | S | S | * | * | trans | -64.8 | 118.3 | 177.3 | -135.2 | -19.2 | 0 | 0 | 0 | 109.1 | Q189 F193 | Q189-D191 VanDerWaalsContact C-N 3.33Å; Q189-D191 PolarHBondContact O-N 3.33Å; D191-F193 PolarHBondContact O-N 2.94Å; D191-F193 VanDerWaalsContact O-N 3.12Å | ||
| 192 | L | 42.9 | Very low | 61.3 | Low | 161 Ų | 161 | 100.2 Ų | 100.2 | 84% | 0.843 | 56% | 0.563 | S | S | * | * | S | Bend | trans | -68.1 | -15.9 | -168.1 | -152.9 | 78 | 0 | 0 | 0 | 112.6 | A190 | A190-L192 PolarHBondContact O-N 2.82Š|
| 193 | F | 50 | Low | 63.2 | Low | 173 Ų | 173 | 95.6 Ų | 95.6 | 76% | 0.759 | 55% | 0.553 | S | S | * | * | S | Bend | trans | -108.9 | 102.3 | 171.9 | -62.5 | -85.1 | 0 | 0 | 0 | 108.5 | D191 H195 | D191-F193 PolarHBondContact O-N 2.94Å; D191-F193 VanDerWaalsContact O-N 3.12Å; F193-H195 PolarHBondContact O-N 2.88Å |
| 194 | G | 55.7 | Low | 65.1 | Low | 69 Ų | 69 | 92 Ų | 92 | 71% | 0.711 | 53% | 0.534 | S | S | * | . | P | Polyproline II helix | trans | -56.3 | 133 | -177.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||
| 195 | H | 64.5 | Low | 66.9 | Low | 161 Ų | 161 | 95.5 Ų | 95.5 | 75% | 0.745 | 54% | 0.539 | S | S | * | . | P | Polyproline II helix | trans | -51 | 135.6 | 177.8 | -81.7 | -53.8 | 0 | 0 | 0 | 111.4 | F193 D197 | F193-H195 PolarHBondContact O-N 2.88Å; H195-D197 PolarHBondContact O-N 3.09Å |
| 196 | P | 77.6 | Confident | 68.6 | Low | 82 Ų | 82 | 89.1 Ų | 89.1 | 53% | 0.532 | 53% | 0.526 | S | S | . | . | P | Polyproline II helix | trans | -60.6 | 139.2 | 177.4 | -19.9 | 31.1 | 0 | 0 | 0 | 111.1 | V198 V199 | P196-V198 WeakPolarHBondContact CB-O 3.18Å; P196-V198 PolarHBondContact O-N 2.81Å; P196-V199 HydrophobicContact CB-CG2 3.85Å; P196-V199 HydrophobicContact CG-CG2 4Å |
| 197 | D | 84.9 | Confident | 70.8 | Confident | 51 Ų | 51 | 83.7 Ų | 83.7 | 27% | 0.273 | 49% | 0.492 | S | S | . | . | S | Bend | trans | -59.7 | -28.4 | 176 | -68 | -31.4 | 0 | 0 | 0 | 112.1 | G166 L167 K170 H195 | G166-D197 CarbonylContact C-O 3.55Å; G166-D197 WeakPolarHBondContact CA-O 3.37Å; L167-D197 HydrophobicContact CB-CB 4.27Å; L167-D197 HydrophobicContact CD1-CB 4.02Å; L167-D197 PolarHBondContact N-O 3.27Å; K170-D197 WeakPolarHBondContact CD-OD1 3.44Å; K170-D197 WeakPolarHBondContact CD-OD2 3.47Å; K170-D197 IonicContact NZ-OD1 2.69Å; K170-D197 PolarHBondContact NZ-OD1 3.19Å; K170-D197 IonicContact NZ-OD2 3.14Å; K170-D197 PolarHBondContact NZ-OD2 3.3Å; H195-D197 PolarHBondContact O-N 3.09Å |
| 198 | V | 89.9 | Confident | 73.3 | Confident | 27 Ų | 27 | 84.8 Ų | 84.8 | 16% | 0.164 | 49% | 0.49 | C | S | . | . | S | Bend | trans | -139 | 133.7 | 178.1 | -173.3 | 0 | 0 | 0 | 0 | 109.9 | A129 L131 W162 D163 I164 L167 P196 | A129-V198 HydrophobicContact CB-CG2 3.95Å; L131-V198 HydrophobicContact CD1-CB 4.26Å; L131-V198 HydrophobicContact CD1-CG1 3.96Å; L131-V198 HydrophobicContact CD1-CG2 4.06Å; L131-V198 HydrophobicContact CD2-CG1 4.01Å; L131-V198 HydrophobicContact CG-CB 4.39Å; L131-V198 HydrophobicContact CG-CG1 3.69Å; W162-V198 HydrophobicContact CB-CG1 4.02Å; W162-V198 HydrophobicContact CE3-CG1 4.26Å; D163-V198 WeakPolarHBondContact O-CA 3.26Å; D163-V198 WeakPolarHBondContact O-CG1 3.43Å; I164-V198 HydrophobicContact CG2-CB 4.48Å; I164-V198 HydrophobicContact CG2-CG1 3.75Å; I164-V198 HydrophobicContact CG2-CG2 3.99Å; L167-V198 HydrophobicContact CB-CG2 4.1Å; L167-V198 HydrophobicContact CD2-CG2 4.18Å; P196-V198 WeakPolarHBondContact CB-O 3.18Å; P196-V198 PolarHBondContact O-N 2.81Å |
| 199 | V | 91.7 | Very high | 76.1 | Confident | 70 Ų | 70 | 87.9 Ų | 87.9 | 42% | 0.424 | 48% | 0.481 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 141.6 | -178.2 | -178.9 | 0 | 0 | 0 | 0 | 110 | W162 D163 P196 K201 | W162-V199 CarbonylContact C-O 3.47Å; W162-V199 VanDerWaalsContact CA-O 3.27Å; W162-V199 WeakPolarHBondContact CA-O 3.15Å; D163-V199 PolarHBondContact N-O 3.33Å; D163-V199 PolarHBondContact O-N 3.03Å; D163-V199 VanDerWaalsContact O-N 3.11Å; P196-V199 HydrophobicContact CB-CG2 3.85Å; P196-V199 HydrophobicContact CG-CG2 4Å; V199-K201 PolarHBondContact O-N 3.1Å; V199-K201 VanDerWaalsContact O-N 3.13Å |
| 200 | V | 92 | Very high | 78.8 | Confident | 51 Ų | 51 | 79 Ų | 79 | 31% | 0.309 | 44% | 0.442 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.6 | 106.4 | 166.8 | -179 | 0 | 0 | 0 | 0 | 107.9 | R160 L161 W162 V203 | R160-V200 HydrophobicContact CB-CG1 4.49Å; L161-V200 CarbonylContact O-C 3.49Å; W162-V200 HydrophobicContact CD2-CG2 4.05Å; W162-V200 HydrophobicContact CE3-CB 4.48Å; W162-V200 HydrophobicContact CE3-CG2 3.48Å; W162-V200 VanDerWaalsContact CE3-CG2 3.48Å; W162-V200 HydrophobicContact CH2-CG2 3.69Å; W162-V200 HydrophobicContact CZ2-CG2 4.23Å; W162-V200 HydrophobicContact CZ3-CG2 3.29Å; V200-V203 HydrophobicContact CG1-CG2 3.75Å |
| 201 | K | 91.2 | Very high | 81.8 | Confident | 57 Ų | 57 | 74.2 Ų | 74.2 | 25% | 0.248 | 40% | 0.402 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.7 | -44.5 | 177.7 | -168.2 | 175 | 179.4 | 169.9 | 0 | 110.8 | L149 L161 D163 V199 D239 | L149-K201 HydrophobicContact CD2-CD 4.03Å; L161-K201 PolarHBondContact O-N 3.37Å; D163-K201 HydrophobicContact CB-CB 4.33Å; V199-K201 PolarHBondContact O-N 3.1Å; V199-K201 VanDerWaalsContact O-N 3.13Å; K201-D239 IonicContact NZ-OD1 2.96Å; K201-D239 PolarHBondContact NZ-OD1 3.14Å |
| 202 | H | 93.5 | Very high | 84.5 | Confident | 28 Ų | 28 | 69.5 Ų | 69.5 | 13% | 0.13 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.1 | 145.4 | -178.3 | -59.3 | -63.7 | 0 | 0 | 0 | 112.2 | R160 L161 L204 N238 D239 A240 K241 V242 | R160-H202 WeakPolarHBondContact CA-O 3.41Å; L161-H202 HydrophobicContact CB-CB 4.27Å; L161-H202 HydrophobicContact CD1-CB 4.45Å; L161-H202 PolarHBondContact N-O 3.23Å; L161-H202 PolarHBondContact O-N 3.28Å; H202-L204 HydrophobicContact CB-CD1 4.13Å; H202-N238 PolarHBondContact NE2-O 3.42Å; H202-D239 VanDerWaalsContact CE1-C 3.46Å; H202-D239 PolarHBondContact CE1-O 2.88Å; H202-D239 PolarHBondContact NE2-O 3.04Å; H202-A240 WeakPolarHBondContact CE1-CA 3.34Å; H202-A240 PolarHBondContact CE1-O 3.27Å; H202-K241 VanDerWaalsContact CE1-CA 3.4Å; H202-K241 WeakPolarHBondContact CE1-CA 3.3Å; H202-K241 PolarHBondContact CE1-N 3.31Å; H202-V242 HydrophobicContact CB-CG2 3.39Å; H202-V242 WeakPolarHBondContact CD2-CG2 3.16Å |
| 203 | V | 94 | Very high | 87.1 | Confident | 63 Ų | 63 | 63.6 Ų | 63.6 | 38% | 0.382 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 132.4 | 167.9 | -172.1 | 0 | 0 | 0 | 0 | 108.2 | T158 R160 V200 E205 | T158-V203 HydrophobicContact CG2-CG1 4.03Å; R160-V203 HydrophobicContact CG-CG1 4.25Å; R160-V203 HydrophobicContact CG-CG2 4.29Å; V200-V203 HydrophobicContact CG1-CG2 3.75Å; V203-E205 HydrophobicContact CG1-CG 3.92Å |
| 204 | L | 93.8 | Very high | 89.4 | Confident | 5 Ų | 5 | 55.4 Ų | 55.4 | 3% | 0.026 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 109.9 | -178.3 | -72.4 | 60.9 | 0 | 0 | 0 | 107.4 | T158 V159 L161 H202 W235 V242 | T158-L204 WeakPolarHBondContact CA-O 3.42Å; V159-L204 HydrophobicContact CB-CB 3.98Å; V159-L204 HydrophobicContact CB-CD2 4.11Å; V159-L204 HydrophobicContact CG1-CD2 3.89Å; V159-L204 PolarHBondContact N-O 3.21Å; V159-L204 WeakPolarHBondContact O-CB 3.38Å; V159-L204 PolarHBondContact O-N 2.92Å; L161-L204 HydrophobicContact CD1-CD1 4.27Å; L161-L204 HydrophobicContact CG-CD1 4.04Å; H202-L204 HydrophobicContact CB-CD1 4.13Å; L204-W235 HydrophobicContact CB-CD2 4.25Å; L204-W235 HydrophobicContact CB-CE3 4.11Å; L204-W235 HydrophobicContact CB-CH2 4.34Å; L204-W235 HydrophobicContact CB-CZ2 4.46Å; L204-W235 HydrophobicContact CB-CZ3 4.15Å; L204-W235 HydrophobicContact CD2-CB 3.86Å; L204-W235 HydrophobicContact CD2-CD2 3.7Å; L204-W235 HydrophobicContact CD2-CE3 4.11Å; L204-W235 HydrophobicContact CD2-CG 3.56Å; L204-W235 HydrophobicContact CG-CD2 4.15Å; L204-W235 HydrophobicContact CG-CE3 4.06Å; L204-W235 HydrophobicContact CG-CG 4.45Å; L204-V242 HydrophobicContact CD1-CB 4.1Å; L204-V242 HydrophobicContact CD1-CG1 3.86Å; L204-V242 HydrophobicContact CD1-CG2 4.04Å; L204-V242 HydrophobicContact CD2-CG1 3.93Å; L204-V242 HydrophobicContact CG-CB 4.25Å; L204-V242 HydrophobicContact CG-CG1 3.64Å |
| 205 | E | 91.6 | Very high | 91.3 | Very high | 145 Ų | 145 | 52.7 Ų | 52.7 | 68% | 0.678 | 28% | 0.278 | S | S | * | . | trans | -115.8 | 142.1 | -178.8 | -58 | -176.7 | 169.5 | 0 | 0 | 109.4 | T158 V203 W235 | T158-E205 HydrophobicContact CG2-CG 4.16Å; V203-E205 HydrophobicContact CG1-CG 3.92Å; E205-W235 WeakPolarHBondContact O-CH2 3.47Å | ||
| 206 | G | 88.9 | Confident | 92.7 | Very high | 35 Ų | 35 | 45.4 Ų | 45.4 | 36% | 0.361 | 24% | 0.244 | S | C | . | . | trans | 144.2 | 1.5 | 179 | 0 | 0 | 0 | 0 | 0 | 116 | K233 | G206-K233 WeakPolarHBondContact O-CE 3.37Å; G206-K233 PolarHBondContact O-NZ 3.03Å | ||
| 207 | H | 94.9 | Very high | 93.5 | Very high | 7 Ų | 7 | 42.5 Ų | 42.5 | 3% | 0.032 | 22% | 0.223 | C | C | . | . | trans | -82.8 | 142 | 162.7 | -84.2 | -67.9 | 0 | 0 | 0 | 110.1 | R209 V211 S225 A227 D229 | H207-R209 VanDerWaalsContact C-N 3.26Å; H207-R209 PolarHBondContact O-N 3.4Å; H207-V211 HydrophobicContact CB-CG2 4.05Å; H207-S225 WeakPolarHBondContact NE2-CB 3.37Å; H207-S225 PolarHBondContact NE2-OG 3.21Å; H207-A227 HydrophobicContact CB-CB 4.32Å; H207-A227 VanDerWaalsContact ND1-CB 3.34Å; H207-A227 WeakPolarHBondContact ND1-CB 3.29Å; H207-D229 IonicContact CE1-OD2 3.64Å; H207-D229 IonicContact CG-OD2 3.85Å; H207-D229 IonicContact ND1-OD1 3.51Å; H207-D229 IonicContact ND1-OD2 2.74Å; H207-D229 PolarHBondContact ND1-OD2 2.8Å | ||
| 208 | D | 93.2 | Very high | 93.6 | Very high | 113 Ų | 113 | 42.9 Ų | 42.9 | 60% | 0.604 | 23% | 0.229 | S | C | * | . | S | Bend | trans | -82.5 | -6.2 | -178.6 | -57.5 | -49.6 | 0 | 0 | 0 | 112.8 | D229 | D208-D229 HydrophobicContact CB-CB 4.14Å; D208-D229 PolarHBondContact N-OD2 3.19Å |
| 209 | R | 95.4 | Very high | 93.4 | Very high | 134 Ų | 134 | 46.6 Ų | 46.6 | 51% | 0.506 | 26% | 0.256 | S | S | . | . | S | Bend | trans | -151.4 | 173.1 | -175.1 | -64 | -173.5 | 171 | -159.1 | -7.8 | 110.6 | H207 D228 D229 | H207-R209 VanDerWaalsContact C-N 3.26Å; H207-R209 PolarHBondContact O-N 3.4Å; R209-D228 HydrophobicContact CB-CB 3.87Å; R209-D228 VanDerWaalsContact CD-O 3.3Å; R209-D228 WeakPolarHBondContact CD-O 3.28Å; R209-D229 HydrophobicContact CB-CB 4.15Å; R209-D229 HydrophobicContact CG-CB 4.23Å |
| 210 | G | 95 | Very high | 93.3 | Very high | 10 Ų | 10 | 47 Ų | 47 | 10% | 0.103 | 25% | 0.254 | C | S | . | . | trans | -55.3 | 142.2 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | A227 D228 | G210-A227 WeakPolarHBondContact O-CA 3.21Å; G210-A227 WeakPolarHBondContact O-CB 3.3Å; G210-D228 PolarHBondContact O-N 2.98Å | ||
| 211 | V | 97.5 | Very high | 93.3 | Very high | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 121.8 | -177.4 | -165.3 | 0 | 0 | 0 | 0 | 109.7 | A153 S154 V159 H207 A226 A227 | A153-V211 HydrophobicContact CB-CB 3.95Å; A153-V211 HydrophobicContact CB-CG1 3.66Å; S154-V211 CarbonylContact C-O 3.49Å; S154-V211 PolarHBondContact O-N 3.38Å; V159-V211 HydrophobicContact CG2-CB 4.31Å; V159-V211 HydrophobicContact CG2-CG1 3.79Å; V159-V211 HydrophobicContact CG2-CG2 4.31Å; H207-V211 HydrophobicContact CB-CG2 4.05Å; V211-A226 WeakPolarHBondContact CG1-O 3.44Å; V211-A227 HydrophobicContact CB-CB 4.49Å; V211-A227 HydrophobicContact CG1-CB 4.43Å; V211-A227 HydrophobicContact CG2-CB 4.37Å |
| 212 | N | 97.2 | Very high | 93.4 | Very high | 17 Ų | 17 | 43.8 Ų | 43.8 | 9% | 0.091 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.7 | -36.6 | -176.6 | -67.6 | -46.2 | 0 | 0 | 0 | 112.9 | M139 A226 D228 V255 | M139-N212 VanDerWaalsContact CB-O 3.22Å; M139-N212 WeakPolarHBondContact CB-O 3.36Å; M139-N212 WeakPolarHBondContact CE-OD1 3.39Å; N212-A226 PolarHBondContact N-O 3.01Å; N212-D228 PolarHBondContact ND2-OD1 3.34Å; N212-V255 PolarHBondContact ND2-O 2.93Å |
| 213 | W | 97.6 | Very high | 93.5 | Very high | 38 Ų | 38 | 42.5 Ų | 42.5 | 14% | 0.144 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.9 | 149.8 | -170.4 | -156 | -93.3 | 0 | 0 | 0 | 112.5 | T98 F100 C140 S225 A226 C257 V299 | T98-W213 HydrophobicContact CG2-CH2 4.06Å; T98-W213 HydrophobicContact CG2-CZ3 3.85Å; F100-W213 HydrophobicContact CZ-CH2 4.22Å; F100-W213 HydrophobicContact CZ-CZ2 4.17Å; C140-W213 HydrophobicContact CB-CD2 4.23Å; C140-W213 HydrophobicContact CB-CE3 4.07Å; W213-S225 VanDerWaalsContact O-CA 3.3Å; W213-S225 WeakPolarHBondContact O-CA 3.3Å; W213-A226 HydrophobicContact CB-CB 4.2Å; W213-A226 PolarHBondContact N-O 2.88Å; W213-A226 PolarHBondContact O-N 3Å; W213-C257 HydrophobicContact CD2-CB 4.06Å; W213-C257 HydrophobicContact CE3-CB 4.44Å; W213-C257 HydrophobicContact CG-CB 4.13Å; W213-C257 PolarHBondContact NE1-SG 2.79Å; W213-C257 VanDerWaalsContact NE1-SG 3.38Å; W213-V299 HydrophobicContact CH2-CG2 4.45Å |
| 214 | V | 97 | Very high | 93.6 | Very high | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 142.7 | 170.2 | 64.2 | 0 | 0 | 0 | 0 | 109.7 | C140 A151 A153 V159 V223 I224 | C140-V214 HydrophobicContact CB-CG1 4.41Å; A151-V214 HydrophobicContact CB-CG1 3.95Å; A151-V214 HydrophobicContact CB-CG2 3.76Å; A153-V214 HydrophobicContact CB-CB 4.04Å; A153-V214 HydrophobicContact CB-CG1 4.12Å; V159-V214 HydrophobicContact CG1-CB 4.43Å; V159-V214 HydrophobicContact CG1-CG2 3.81Å; V214-V223 HydrophobicContact CG2-CG1 3.3Å; V214-I224 CarbonylContact C-O 3.59Å; V214-I224 WeakPolarHBondContact CA-O 3.48Å |
| 215 | S | 95.8 | Very high | 93.7 | Very high | 12 Ų | 12 | 39.3 Ų | 39.3 | 8% | 0.084 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.2 | 133.3 | 173.3 | -178 | 0 | 0 | 0 | 0 | 110.9 | V223 I224 A258 | S215-V223 WeakPolarHBondContact O-CA 3.47Å; S215-I224 PolarHBondContact N-O 2.94Å; S215-I224 PolarHBondContact O-N 3.25Å; S215-A258 WeakPolarHBondContact CB-O 3.46Å |
| 216 | F | 95.1 | Very high | 94 | Very high | 9 Ų | 9 | 32.4 Ų | 32.4 | 4% | 0.039 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75 | 145.7 | 167.8 | -72.9 | -72.4 | 0 | 0 | 0 | 111.6 | H144 P145 L149 A151 L161 V223 Y237 | H144-F216 HydrophobicContact CB-CD2 3.94Å; H144-F216 HydrophobicContact CB-CE1 4.33Å; H144-F216 HydrophobicContact CB-CE2 3.61Å; H144-F216 HydrophobicContact CB-CG 4.38Å; H144-F216 HydrophobicContact CB-CZ 3.81Å; H144-F216 AromaticContact CD2-CD1 3.47Å; H144-F216 VanDerWaalsContact CD2-CD1 3.47Å; H144-F216 WeakPolarHBondContact CD2-CD1 3.5Å; H144-F216 AromaticContact CD2-CE1 3.63Å; H144-F216 AromaticContact CD2-CG 3.72Å; P145-F216 HydrophobicContact CG-CB 4.46Å; L149-F216 HydrophobicContact CB-CZ 4.22Å; A151-F216 HydrophobicContact CB-CD2 4.14Å; A151-F216 HydrophobicContact CB-CE1 4.16Å; A151-F216 HydrophobicContact CB-CE2 3.38Å; A151-F216 HydrophobicContact CB-CZ 3.41Å; A151-F216 VanDerWaalsContact CB-CZ 3.41Å; L161-F216 HydrophobicContact CD2-CE1 3.93Å; L161-F216 HydrophobicContact CD2-CZ 3.9Å; F216-V223 HydrophobicContact CD1-CG2 3.6Å; F216-V223 HydrophobicContact CE1-CG2 3.68Å; F216-Y237 HydrophobicContact CD1-CE1 4.29Å; F216-Y237 HydrophobicContact CE1-CE1 4.2Å |
| 217 | H | 93.1 | Very high | 94.4 | Very high | 20 Ų | 20 | 30.7 Ų | 30.7 | 9% | 0.093 | 17% | 0.168 | C | C | . | . | trans | -73.3 | 144.9 | 166.8 | 179.8 | -88.3 | 0 | 0 | 0 | 110.6 | S219 M220 L222 F260 | H217-S219 VanDerWaalsContact C-N 3.32Å; H217-S219 PolarHBondContact CE1-OG 3.17Å; H217-S219 VanDerWaalsContact CE1-OG 3.29Å; H217-S219 PolarHBondContact ND1-N 3.45Å; H217-S219 PolarHBondContact O-N 3.49Å; H217-M220 PolarHBondContact CE1-N 2.96Å; H217-M220 WeakPolarHBondContact ND1-CB 3.19Å; H217-M220 PolarHBondContact ND1-N 3.05Å; H217-M220 PolarHBondContact ND1-O 3.26Å; H217-L222 HydrophobicContact CB-CB 3.77Å; H217-L222 WeakPolarHBondContact CB-O 2.99Å; H217-L222 PolarHBondContact N-O 3.1Å; H217-F260 VanDerWaalsContact CA-CD2 3.42Å; H217-F260 HydrophobicContact CB-CD1 4.46Å; H217-F260 HydrophobicContact CB-CD2 3.74Å; H217-F260 HydrophobicContact CB-CE1 4.39Å; H217-F260 HydrophobicContact CB-CE2 3.64Å; H217-F260 HydrophobicContact CB-CG 4.14Å; H217-F260 HydrophobicContact CB-CZ 3.98Å; H217-F260 AromaticContact CD2-CD1 3.64Å; H217-F260 AromaticContact CD2-CG 3.72Å | ||
| 218 | P | 86.3 | Confident | 94.5 | Very high | 60 Ų | 60 | 32 Ų | 32 | 39% | 0.39 | 18% | 0.175 | S | C | . | . | S | Bend | trans | -68.1 | -18.1 | -170.6 | -24.7 | 35.6 | 0 | 0 | 0 | 117.2 | ||
| 219 | S | 86.1 | Confident | 94.5 | Very high | 105 Ų | 105 | 27.5 Ų | 27.5 | 73% | 0.734 | 15% | 0.151 | S | C | * | . | S | Bend | trans | -143 | -48.6 | -173.9 | 60.2 | 0 | 0 | 0 | 0 | 115.2 | H217 | H217-S219 VanDerWaalsContact C-N 3.32Å; H217-S219 PolarHBondContact CE1-OG 3.17Å; H217-S219 VanDerWaalsContact CE1-OG 3.29Å; H217-S219 PolarHBondContact ND1-N 3.45Å; H217-S219 PolarHBondContact O-N 3.49Å |
| 220 | M | 89.4 | Confident | 94.6 | Very high | 79 Ų | 79 | 27.1 Ų | 27.1 | 39% | 0.389 | 15% | 0.15 | S | C | . | . | S | Bend | trans | -72.3 | 145.8 | 170.2 | -52.3 | 179.7 | -163.5 | 0 | 0 | 111.8 | H217 L222 F281 | H217-M220 PolarHBondContact CE1-N 2.96Å; H217-M220 WeakPolarHBondContact ND1-CB 3.19Å; H217-M220 PolarHBondContact ND1-N 3.05Å; H217-M220 PolarHBondContact ND1-O 3.26Å; M220-L222 HydrophobicContact CB-CD1 4.01Å; M220-L222 HydrophobicContact CB-CG 4.12Å; M220-L222 PolarHBondContact O-N 3.5Å; M220-L222 HydrophobicContact SD-CD1 3.97Å; M220-F281 HydrophobicContact SD-CZ 4.26Å |
| 221 | A | 92.8 | Very high | 94.5 | Very high | 35 Ų | 35 | 28.3 Ų | 28.3 | 29% | 0.289 | 15% | 0.153 | S | C | . | . | S | Bend | trans | -68.9 | 72 | 171.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | Y237 | A221-Y237 VanDerWaalsContact C-CE1 3.43Å; A221-Y237 HydrophobicContact CB-CD1 4.16Å; A221-Y237 HydrophobicContact CB-CD2 4.18Å; A221-Y237 HydrophobicContact CB-CE1 3.85Å; A221-Y237 HydrophobicContact CB-CE2 3.88Å; A221-Y237 HydrophobicContact CB-CG 4.32Å; A221-Y237 PolarHBondContact O-N 3.48Å |
| 222 | L | 93.5 | Very high | 94.4 | Very high | 4 Ų | 4 | 28.4 Ų | 28.4 | 2% | 0.021 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 146 | 180 | -66.9 | 172.4 | 0 | 0 | 0 | 110.3 | H217 M220 L234 W235 R236 V245 F260 F281 | H217-L222 HydrophobicContact CB-CB 3.77Å; H217-L222 WeakPolarHBondContact CB-O 2.99Å; H217-L222 PolarHBondContact N-O 3.1Å; M220-L222 HydrophobicContact CB-CD1 4.01Å; M220-L222 HydrophobicContact CB-CG 4.12Å; M220-L222 PolarHBondContact O-N 3.5Å; M220-L222 HydrophobicContact SD-CD1 3.97Å; L222-L234 HydrophobicContact CB-CD1 4.35Å; L222-W235 VanDerWaalsContact CA-O 3.29Å; L222-W235 WeakPolarHBondContact CA-O 3.44Å; L222-W235 WeakPolarHBondContact CD2-O 3.06Å; L222-R236 HydrophobicContact CD2-CB 3.7Å; L222-R236 HydrophobicContact CD2-CG 4.21Å; L222-V245 HydrophobicContact CD2-CG2 4.36Å; L222-F260 HydrophobicContact CB-CZ 4.44Å; L222-F281 HydrophobicContact CD1-CE2 3.78Å; L222-F281 HydrophobicContact CD1-CZ 3.53Å |
| 223 | V | 95.2 | Very high | 94.3 | Very high | 1 Ų | 1 | 28.4 Ų | 28.4 | 1% | 0.006 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 139.5 | 176.2 | 177.7 | 0 | 0 | 0 | 0 | 107.8 | L161 V214 S215 F216 W235 Y237 | L161-V223 HydrophobicContact CD2-CG2 4.23Å; V214-V223 HydrophobicContact CG2-CG1 3.3Å; S215-V223 WeakPolarHBondContact O-CA 3.47Å; F216-V223 HydrophobicContact CD1-CG2 3.6Å; F216-V223 HydrophobicContact CE1-CG2 3.68Å; V223-W235 HydrophobicContact CB-CB 4.33Å; V223-W235 PolarHBondContact N-O 3.17Å; V223-W235 PolarHBondContact O-N 3.32Å; V223-Y237 HydrophobicContact CG2-CD1 3.94Å; V223-Y237 HydrophobicContact CG2-CE1 3.96Å |
| 224 | I | 95.8 | Very high | 94.2 | Very high | 1 Ų | 1 | 26.7 Ų | 26.7 | 1% | 0.005 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 137.7 | 167.1 | -168.6 | 167.2 | 0 | 0 | 0 | 109.8 | V214 S215 M232 K233 A258 F260 I267 | V214-I224 CarbonylContact C-O 3.59Å; V214-I224 WeakPolarHBondContact CA-O 3.48Å; S215-I224 PolarHBondContact N-O 2.94Å; S215-I224 PolarHBondContact O-N 3.25Å; I224-M232 HydrophobicContact CD1-CB 4.26Å; I224-M232 HydrophobicContact CD1-CE 4.41Å; I224-M232 HydrophobicContact CD1-SD 4.36Å; I224-M232 HydrophobicContact CG1-CB 4.34Å; I224-K233 WeakPolarHBondContact CA-O 3.33Å; I224-A258 HydrophobicContact CD1-CB 4.03Å; I224-A258 HydrophobicContact CG1-CB 4.19Å; I224-A258 HydrophobicContact CG2-CB 4.27Å; I224-F260 HydrophobicContact CB-CE1 4.44Å; I224-F260 HydrophobicContact CB-CE2 3.8Å; I224-F260 HydrophobicContact CB-CZ 3.64Å; I224-F260 HydrophobicContact CG2-CD2 3.98Å; I224-F260 HydrophobicContact CG2-CE2 3.46Å; I224-F260 VanDerWaalsContact CG2-CE2 3.46Å; I224-F260 HydrophobicContact CG2-CZ 3.81Å; I224-I267 HydrophobicContact CD1-CD1 4.02Å; I224-I267 HydrophobicContact CD1-CG1 4.29Å; I224-I267 HydrophobicContact CD1-CG2 3.47Å; I224-I267 VanDerWaalsContact CD1-CG2 3.47Å |
| 225 | S | 97.1 | Very high | 94.1 | Very high | 0 Ų | 0 | 27.2 Ų | 27.2 | 0% | 0 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 149.7 | 173.8 | 57.6 | 0 | 0 | 0 | 0 | 111.1 | H207 W213 M232 K233 W235 | H207-S225 WeakPolarHBondContact NE2-CB 3.37Å; H207-S225 PolarHBondContact NE2-OG 3.21Å; W213-S225 VanDerWaalsContact O-CA 3.3Å; W213-S225 WeakPolarHBondContact O-CA 3.3Å; S225-M232 CarbonylContact O-C 3.58Å; S225-M232 WeakPolarHBondContact O-CA 3.21Å; S225-M232 WeakPolarHBondContact O-CB 3.5Å; S225-K233 PolarHBondContact N-O 3.23Å; S225-K233 PolarHBondContact O-N 2.95Å; S225-K233 PolarHBondContact OG-O 3.4Å; S225-W235 PolarHBondContact OG-NE1 3.2Å |
| 226 | A | 97 | Very high | 94.1 | Very high | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 132.9 | 179 | 0 | 0 | 0 | 0 | 0 | 110 | V211 N212 W213 M232 V255 A258 | V211-A226 WeakPolarHBondContact CG1-O 3.44Å; N212-A226 PolarHBondContact N-O 3.01Å; W213-A226 HydrophobicContact CB-CB 4.2Å; W213-A226 PolarHBondContact N-O 2.88Å; W213-A226 PolarHBondContact O-N 3Å; A226-M232 HydrophobicContact CB-CG 4.37Å; A226-V255 HydrophobicContact CB-CB 3.93Å; A226-V255 HydrophobicContact CB-CG1 3.7Å; A226-A258 HydrophobicContact CB-CB 3.88Å |
| 227 | A | 97.3 | Very high | 94 | Very high | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140 | 171.5 | -166.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | H207 G210 V211 D229 R230 Q231 V255 | H207-A227 HydrophobicContact CB-CB 4.32Å; H207-A227 VanDerWaalsContact ND1-CB 3.34Å; H207-A227 WeakPolarHBondContact ND1-CB 3.29Å; G210-A227 WeakPolarHBondContact O-CA 3.21Å; G210-A227 WeakPolarHBondContact O-CB 3.3Å; V211-A227 HydrophobicContact CB-CB 4.49Å; V211-A227 HydrophobicContact CG1-CB 4.43Å; V211-A227 HydrophobicContact CG2-CB 4.37Å; A227-D229 WeakPolarHBondContact CB-OD1 3.35Å; A227-D229 PolarHBondContact O-N 2.79Å; A227-R230 PolarHBondContact O-N 3.37Å; A227-Q231 PolarHBondContact N-O 3.39Å; A227-V255 PolarHBondContact O-N 3.31Å; A227-V255 VanDerWaalsContact O-N 3.12Å |
| 228 | D | 96.5 | Very high | 93.9 | Very high | 35 Ų | 35 | 34.7 Ų | 34.7 | 19% | 0.187 | 18% | 0.178 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.2 | -7.8 | 177.5 | -77 | -5.4 | 0 | 0 | 0 | 113.7 | R209 G210 N212 R230 N254 | R209-D228 HydrophobicContact CB-CB 3.87Å; R209-D228 VanDerWaalsContact CD-O 3.3Å; R209-D228 WeakPolarHBondContact CD-O 3.28Å; G210-D228 PolarHBondContact O-N 2.98Å; N212-D228 PolarHBondContact ND2-OD1 3.34Å; D228-R230 PolarHBondContact O-N 2.83Å; D228-N254 VanDerWaalsContact CG-ND2 3.31Å; D228-N254 PolarHBondContact O-OD1 3.16Å; D228-N254 VanDerWaalsContact OD1-CB 3.26Å; D228-N254 WeakPolarHBondContact OD1-CB 3.47Å; D228-N254 PolarHBondContact OD1-ND2 2.9Å |
| 229 | D | 94.8 | Very high | 93.9 | Very high | 18 Ų | 18 | 38.1 Ų | 38.1 | 10% | 0.096 | 19% | 0.194 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.5 | 1.8 | 170.4 | 66.6 | 7.4 | 0 | 0 | 0 | 113 | H207 D208 R209 A227 Q231 | H207-D229 IonicContact CE1-OD2 3.64Å; H207-D229 IonicContact CG-OD2 3.85Å; H207-D229 IonicContact ND1-OD1 3.51Å; H207-D229 IonicContact ND1-OD2 2.74Å; H207-D229 PolarHBondContact ND1-OD2 2.8Å; D208-D229 HydrophobicContact CB-CB 4.14Å; D208-D229 PolarHBondContact N-OD2 3.19Å; R209-D229 HydrophobicContact CB-CB 4.15Å; R209-D229 HydrophobicContact CG-CB 4.23Å; A227-D229 WeakPolarHBondContact CB-OD1 3.35Å; A227-D229 PolarHBondContact O-N 2.79Å; D229-Q231 PolarHBondContact O-N 3.37Å; D229-Q231 WeakPolarHBondContact OD1-CA 3.34Å; D229-Q231 VanDerWaalsContact OD1-CB 3.26Å; D229-Q231 WeakPolarHBondContact OD1-CB 3.34Å; D229-Q231 PolarHBondContact OD1-N 2.83Å |
| 230 | R | 95.5 | Very high | 94 | Very high | 125 Ų | 125 | 37.2 Ų | 37.2 | 47% | 0.472 | 19% | 0.192 | S | C | . | . | S | Bend | trans | 70.8 | 11.7 | -179.6 | -40.7 | 170.2 | -177 | 164.3 | 0.4 | 113.6 | A227 D228 | A227-R230 PolarHBondContact O-N 3.37Å; D228-R230 PolarHBondContact O-N 2.83Å |
| 231 | Q | 94.5 | Very high | 94.1 | Very high | 36 Ų | 36 | 39.1 Ų | 39.1 | 17% | 0.168 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 161.9 | -178.4 | -55.8 | 176.7 | 37.6 | 0 | 0 | 110.8 | A227 D229 T247 | A227-Q231 PolarHBondContact N-O 3.39Å; D229-Q231 PolarHBondContact O-N 3.37Å; D229-Q231 WeakPolarHBondContact OD1-CA 3.34Å; D229-Q231 VanDerWaalsContact OD1-CB 3.26Å; D229-Q231 WeakPolarHBondContact OD1-CB 3.34Å; D229-Q231 PolarHBondContact OD1-N 2.83Å; Q231-T247 HydrophobicContact CB-CG2 3.78Å; Q231-T247 HydrophobicContact CG-CG2 4.05Å |
| 232 | M | 95.7 | Very high | 94 | Very high | 1 Ų | 1 | 39 Ų | 39 | 1% | 0.005 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 130.5 | 162.2 | -49.7 | -177.8 | -61.4 | 0 | 0 | 108.8 | I224 S225 A226 T247 C248 V255 A258 I267 S269 W279 | I224-M232 HydrophobicContact CD1-CB 4.26Å; I224-M232 HydrophobicContact CD1-CE 4.41Å; I224-M232 HydrophobicContact CD1-SD 4.36Å; I224-M232 HydrophobicContact CG1-CB 4.34Å; S225-M232 CarbonylContact O-C 3.58Å; S225-M232 WeakPolarHBondContact O-CA 3.21Å; S225-M232 WeakPolarHBondContact O-CB 3.5Å; A226-M232 HydrophobicContact CB-CG 4.37Å; M232-T247 CarbonylContact O-C 3.57Å; M232-T247 WeakPolarHBondContact O-CA 3.2Å; M232-C248 HydrophobicContact CB-CB 4.23Å; M232-C248 HydrophobicContact CE-CB 3.56Å; M232-C248 PolarHBondContact N-O 2.83Å; M232-C248 PolarHBondContact O-N 3.02Å; M232-V255 HydrophobicContact CG-CB 4.49Å; M232-V255 HydrophobicContact CG-CG1 3.93Å; M232-V255 HydrophobicContact CG-CG2 4.34Å; M232-V255 HydrophobicContact SD-CG1 4.04Å; M232-A258 HydrophobicContact CG-CB 4.43Å; M232-A258 HydrophobicContact SD-CB 3.51Å; M232-A258 VanDerWaalsContact SD-CB 3.51Å; M232-I267 HydrophobicContact CE-CG2 4.08Å; M232-S269 WeakPolarHBondContact SD-CB 3.31Å; M232-W279 HydrophobicContact CE-CD2 4.09Å; M232-W279 HydrophobicContact CE-CG 4.21Å; M232-W279 HydrophobicContact CE-CZ2 4.03Å; M232-W279 VanDerWaalsContact CE-NE1 3.35Å |
| 233 | K | 95.2 | Very high | 94 | Very high | 18 Ų | 18 | 43.2 Ų | 43.2 | 8% | 0.078 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 131.4 | -178.9 | -69.7 | -177.4 | 172.2 | -127.2 | 0 | 110 | G206 I224 S225 W235 E244 T247 | G206-K233 WeakPolarHBondContact O-CE 3.37Å; G206-K233 PolarHBondContact O-NZ 3.03Å; I224-K233 WeakPolarHBondContact CA-O 3.33Å; S225-K233 PolarHBondContact N-O 3.23Å; S225-K233 PolarHBondContact O-N 2.95Å; S225-K233 PolarHBondContact OG-O 3.4Å; K233-W235 HydrophobicContact CB-CZ2 3.7Å; K233-W235 HydrophobicContact CD-CH2 4.33Å; K233-W235 HydrophobicContact CD-CZ2 3.85Å; K233-W235 HydrophobicContact CG-CZ2 4.38Å; K233-W235 VanDerWaalsContact O-CD1 3.32Å; K233-W235 PolarHBondContact O-NE1 3.42Å; K233-E244 WeakPolarHBondContact CD-OE2 3.23Å; K233-E244 IonicContact NZ-OE1 2.98Å; K233-E244 IonicContact NZ-OE2 3.88Å; K233-E244 PolarHBondContact NZ-OE2 2.91Å; K233-T247 HydrophobicContact CG-CG2 4.41Å |
| 234 | L | 95.2 | Very high | 93.9 | Very high | 2 Ų | 2 | 46.5 Ų | 46.5 | 1% | 0.01 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 124.1 | 174.3 | 179.8 | 69.1 | 0 | 0 | 0 | 107.9 | L222 V245 D246 F260 F281 R284 | L222-L234 HydrophobicContact CB-CD1 4.35Å; L234-V245 HydrophobicContact CB-CB 4.48Å; L234-V245 HydrophobicContact CD2-CB 4.16Å; L234-V245 HydrophobicContact CD2-CG1 4.1Å; L234-V245 HydrophobicContact CG-CB 4.19Å; L234-V245 WeakPolarHBondContact O-CB 3.28Å; L234-V245 PolarHBondContact O-N 2.85Å; L234-D246 PolarHBondContact N-O 3.46Å; L234-F260 HydrophobicContact CD1-CE1 3.82Å; L234-F260 HydrophobicContact CD1-CZ 3.6Å; L234-F281 HydrophobicContact CD2-CE2 4.28Å; L234-R284 VanDerWaalsContact CD2-NH2 3.3Å |
| 235 | W | 95.1 | Very high | 93.7 | Very high | 10 Ų | 10 | 49.1 Ų | 49.1 | 4% | 0.038 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 144.2 | -177.7 | -48.8 | 84.1 | 0 | 0 | 0 | 110 | L204 E205 L222 V223 S225 K233 V242 W243 E244 | L204-W235 HydrophobicContact CB-CD2 4.25Å; L204-W235 HydrophobicContact CB-CE3 4.11Å; L204-W235 HydrophobicContact CB-CH2 4.34Å; L204-W235 HydrophobicContact CB-CZ2 4.46Å; L204-W235 HydrophobicContact CB-CZ3 4.15Å; L204-W235 HydrophobicContact CD2-CB 3.86Å; L204-W235 HydrophobicContact CD2-CD2 3.7Å; L204-W235 HydrophobicContact CD2-CE3 4.11Å; L204-W235 HydrophobicContact CD2-CG 3.56Å; L204-W235 HydrophobicContact CG-CD2 4.15Å; L204-W235 HydrophobicContact CG-CE3 4.06Å; L204-W235 HydrophobicContact CG-CG 4.45Å; E205-W235 WeakPolarHBondContact O-CH2 3.47Å; L222-W235 VanDerWaalsContact CA-O 3.29Å; L222-W235 WeakPolarHBondContact CA-O 3.44Å; L222-W235 WeakPolarHBondContact CD2-O 3.06Å; V223-W235 HydrophobicContact CB-CB 4.33Å; V223-W235 PolarHBondContact N-O 3.17Å; V223-W235 PolarHBondContact O-N 3.32Å; S225-W235 PolarHBondContact OG-NE1 3.2Å; K233-W235 HydrophobicContact CB-CZ2 3.7Å; K233-W235 HydrophobicContact CD-CH2 4.33Å; K233-W235 HydrophobicContact CD-CZ2 3.85Å; K233-W235 HydrophobicContact CG-CZ2 4.38Å; K233-W235 VanDerWaalsContact O-CD1 3.32Å; K233-W235 PolarHBondContact O-NE1 3.42Å; W235-V242 HydrophobicContact CB-CG1 4.07Å; W235-W243 WeakPolarHBondContact CA-O 3.49Å; W235-E244 HydrophobicContact CE3-CB 4.06Å; W235-E244 HydrophobicContact CZ3-CB 3.97Å |
| 236 | R | 94.7 | Very high | 93.5 | Very high | 116 Ų | 116 | 51.7 Ų | 51.7 | 44% | 0.438 | 26% | 0.255 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 133.1 | 168.6 | 175.5 | 169.6 | -87.2 | 173.2 | -7.3 | 108.9 | L222 V242 W243 V245 | L222-R236 HydrophobicContact CD2-CB 3.7Å; L222-R236 HydrophobicContact CD2-CG 4.21Å; R236-V242 WeakPolarHBondContact O-CA 3.44Å; R236-V242 WeakPolarHBondContact O-CG1 3.15Å; R236-W243 HydrophobicContact CB-CD2 4.41Å; R236-W243 HydrophobicContact CB-CH2 4.42Å; R236-W243 HydrophobicContact CB-CZ2 4.03Å; R236-W243 HydrophobicContact CG-CH2 3.75Å; R236-W243 HydrophobicContact CG-CZ2 3.65Å; R236-W243 HydrophobicContact CG-CZ3 4.31Å; R236-W243 PolarHBondContact N-O 2.99Å; R236-W243 PolarHBondContact O-N 3.09Å; R236-V245 HydrophobicContact CB-CG2 3.5Å; R236-V245 VanDerWaalsContact CB-CG2 3.5Å |
| 237 | Y | 92.8 | Very high | 93.2 | Very high | 12 Ų | 12 | 51.9 Ų | 51.9 | 5% | 0.047 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 155 | 174.5 | 68.3 | -87.3 | 0 | 0 | 0 | 111 | H144 E147 L149 L161 F216 A221 V223 | H144-Y237 PolarHBondContact CD2-OH 2.75Å; H144-Y237 VanDerWaalsContact CD2-OH 3.23Å; H144-Y237 PolarHBondContact NE2-OH 2.93Å; E147-Y237 PolarHBondContact OE2-OH 2.93Å; E147-Y237 VanDerWaalsContact OE2-OH 3.13Å; L149-Y237 HydrophobicContact CD1-CE2 3.85Å; L161-Y237 HydrophobicContact CD1-CD1 4.25Å; L161-Y237 HydrophobicContact CD1-CG 4.07Å; F216-Y237 HydrophobicContact CD1-CE1 4.29Å; F216-Y237 HydrophobicContact CE1-CE1 4.2Å; A221-Y237 VanDerWaalsContact C-CE1 3.43Å; A221-Y237 HydrophobicContact CB-CD1 4.16Å; A221-Y237 HydrophobicContact CB-CD2 4.18Å; A221-Y237 HydrophobicContact CB-CE1 3.85Å; A221-Y237 HydrophobicContact CB-CE2 3.88Å; A221-Y237 HydrophobicContact CB-CG 4.32Å; A221-Y237 PolarHBondContact O-N 3.48Å; V223-Y237 HydrophobicContact CG2-CD1 3.94Å; V223-Y237 HydrophobicContact CG2-CE1 3.96Å |
| 238 | N | 91.5 | Very high | 93 | Very high | 70 Ų | 70 | 52 Ų | 52 | 37% | 0.374 | 26% | 0.257 | S | S | . | . | trans | -136.4 | -168.5 | 157.5 | 67.2 | 11.9 | 0 | 0 | 0 | 108 | H202 A240 K241 | H202-N238 PolarHBondContact NE2-O 3.42Å; N238-A240 VanDerWaalsContact C-N 3.26Å; N238-A240 PolarHBondContact O-N 3.47Å; N238-A240 PolarHBondContact OD1-N 3Å; N238-K241 PolarHBondContact N-O 3.31Å; N238-K241 PolarHBondContact OD1-N 2.93Å; N238-K241 PolarHBondContact OD1-O 3.44Å | ||
| 239 | D | 86.4 | Confident | 92.8 | Very high | 132 Ų | 132 | 57.9 Ų | 57.9 | 71% | 0.706 | 28% | 0.276 | S | S | * | . | S | Bend | trans | -66.8 | -24.7 | -179.2 | -67.5 | -56.1 | 0 | 0 | 0 | 114.5 | K201 H202 | K201-D239 IonicContact NZ-OD1 2.96Å; K201-D239 PolarHBondContact NZ-OD1 3.14Å; H202-D239 VanDerWaalsContact CE1-C 3.46Å; H202-D239 PolarHBondContact CE1-O 2.88Å; H202-D239 PolarHBondContact NE2-O 3.04Å |
| 240 | A | 88 | Confident | 92.6 | Very high | 86 Ų | 86 | 58.6 Ų | 58.6 | 71% | 0.711 | 29% | 0.289 | S | S | * | . | S | Bend | trans | -101.9 | -29.1 | -172.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | H202 N238 | H202-A240 WeakPolarHBondContact CE1-CA 3.34Å; H202-A240 PolarHBondContact CE1-O 3.27Å; N238-A240 VanDerWaalsContact C-N 3.26Å; N238-A240 PolarHBondContact O-N 3.47Å; N238-A240 PolarHBondContact OD1-N 3Å |
| 241 | K | 90.7 | Very high | 92.5 | Very high | 120 Ų | 120 | 53.2 Ų | 53.2 | 52% | 0.522 | 27% | 0.269 | S | S | . | . | trans | -157.2 | 163.6 | -176.4 | 63.4 | 172.1 | -174.7 | 177.8 | 0 | 113.7 | H202 N238 W243 | H202-K241 VanDerWaalsContact CE1-CA 3.4Å; H202-K241 WeakPolarHBondContact CE1-CA 3.3Å; H202-K241 PolarHBondContact CE1-N 3.31Å; N238-K241 PolarHBondContact N-O 3.31Å; N238-K241 PolarHBondContact OD1-N 2.93Å; N238-K241 PolarHBondContact OD1-O 3.44Å; K241-W243 HydrophobicContact CD-CE3 4.08Å; K241-W243 HydrophobicContact CD-CZ3 4.27Å; K241-W243 HydrophobicContact CG-CE3 3.87Å; K241-W243 HydrophobicContact CG-CZ3 3.84Å | ||
| 242 | V | 91.7 | Very high | 92.5 | Very high | 32 Ų | 32 | 57.2 Ų | 57.2 | 19% | 0.194 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 146.8 | 168.7 | -166.9 | 0 | 0 | 0 | 0 | 109.3 | L161 H202 L204 W235 R236 | L161-V242 HydrophobicContact CD1-CG2 4.23Å; H202-V242 HydrophobicContact CB-CG2 3.39Å; H202-V242 WeakPolarHBondContact CD2-CG2 3.16Å; L204-V242 HydrophobicContact CD1-CB 4.1Å; L204-V242 HydrophobicContact CD1-CG1 3.86Å; L204-V242 HydrophobicContact CD1-CG2 4.04Å; L204-V242 HydrophobicContact CD2-CG1 3.93Å; L204-V242 HydrophobicContact CG-CB 4.25Å; L204-V242 HydrophobicContact CG-CG1 3.64Å; W235-V242 HydrophobicContact CB-CG1 4.07Å; R236-V242 WeakPolarHBondContact O-CA 3.44Å; R236-V242 WeakPolarHBondContact O-CG1 3.15Å |
| 243 | W | 93.6 | Very high | 92.4 | Very high | 93 Ų | 93 | 59.9 Ų | 59.9 | 35% | 0.352 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.4 | 151.8 | 175 | 63.8 | 100 | 0 | 0 | 0 | 111.6 | W235 R236 K241 | W235-W243 WeakPolarHBondContact CA-O 3.49Å; R236-W243 HydrophobicContact CB-CD2 4.41Å; R236-W243 HydrophobicContact CB-CH2 4.42Å; R236-W243 HydrophobicContact CB-CZ2 4.03Å; R236-W243 HydrophobicContact CG-CH2 3.75Å; R236-W243 HydrophobicContact CG-CZ2 3.65Å; R236-W243 HydrophobicContact CG-CZ3 4.31Å; R236-W243 PolarHBondContact N-O 2.99Å; R236-W243 PolarHBondContact O-N 3.09Å; K241-W243 HydrophobicContact CD-CE3 4.08Å; K241-W243 HydrophobicContact CD-CZ3 4.27Å; K241-W243 HydrophobicContact CG-CE3 3.87Å; K241-W243 HydrophobicContact CG-CZ3 3.84Å |
| 244 | E | 93 | Very high | 92.5 | Very high | 69 Ų | 69 | 60.6 Ų | 60.6 | 32% | 0.322 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.9 | 130.9 | 168.8 | -167.8 | -172.9 | 137.7 | 0 | 0 | 109.3 | K233 W235 T247 | K233-E244 WeakPolarHBondContact CD-OE2 3.23Å; K233-E244 IonicContact NZ-OE1 2.98Å; K233-E244 IonicContact NZ-OE2 3.88Å; K233-E244 PolarHBondContact NZ-OE2 2.91Å; W235-E244 HydrophobicContact CE3-CB 4.06Å; W235-E244 HydrophobicContact CZ3-CB 3.97Å; E244-T247 PolarHBondContact OE1-OG1 3.36Å |
| 245 | V | 91.7 | Very high | 92.6 | Very high | 57 Ų | 57 | 60.5 Ų | 60.5 | 35% | 0.345 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | -47 | 174.9 | 179.5 | 0 | 0 | 0 | 0 | 110.4 | L222 L234 R236 | L222-V245 HydrophobicContact CD2-CG2 4.36Å; L234-V245 HydrophobicContact CB-CB 4.48Å; L234-V245 HydrophobicContact CD2-CB 4.16Å; L234-V245 HydrophobicContact CD2-CG1 4.1Å; L234-V245 HydrophobicContact CG-CB 4.19Å; L234-V245 WeakPolarHBondContact O-CB 3.28Å; L234-V245 PolarHBondContact O-N 2.85Å; R236-V245 HydrophobicContact CB-CG2 3.5Å; R236-V245 VanDerWaalsContact CB-CG2 3.5Å |
| 246 | D | 91.9 | Very high | 92.7 | Very high | 54 Ų | 54 | 60.6 Ų | 60.6 | 29% | 0.289 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -167.9 | 165.6 | 179.7 | -157.6 | -8.1 | 0 | 0 | 0 | 110.6 | L234 R284 | L234-D246 PolarHBondContact N-O 3.46Å; D246-R284 HydrophobicContact CB-CG 4.04Å; D246-R284 WeakPolarHBondContact OD2-CD 3.31Å; D246-R284 WeakPolarHBondContact OD2-CG 3.42Å; D246-R284 IonicContact OD2-NE 3.97Å |
| 247 | T | 92.6 | Very high | 92.7 | Very high | 4 Ų | 4 | 55.1 Ų | 55.1 | 3% | 0.025 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 120 | 176.3 | -69 | 0 | 0 | 0 | 0 | 110.6 | Q231 M232 K233 E244 R249 | Q231-T247 HydrophobicContact CB-CG2 3.78Å; Q231-T247 HydrophobicContact CG-CG2 4.05Å; M232-T247 CarbonylContact O-C 3.57Å; M232-T247 WeakPolarHBondContact O-CA 3.2Å; K233-T247 HydrophobicContact CG-CG2 4.41Å; E244-T247 PolarHBondContact OE1-OG1 3.36Å; T247-R249 HydrophobicContact CG2-CG 3.75Å; T247-R249 PolarHBondContact O-N 2.85Å; T247-R249 PolarHBondContact O-NH1 2.86Å |
| 248 | C | 92.7 | Very high | 92.9 | Very high | 3 Ų | 3 | 54.6 Ų | 54.6 | 2% | 0.02 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.4 | 119.4 | 168 | -64.5 | 0 | 0 | 0 | 0 | 110.4 | M232 W279 | M232-C248 HydrophobicContact CB-CB 4.23Å; M232-C248 HydrophobicContact CE-CB 3.56Å; M232-C248 PolarHBondContact N-O 2.83Å; M232-C248 PolarHBondContact O-N 3.02Å; C248-W279 HydrophobicContact CB-CD2 4.26Å; C248-W279 HydrophobicContact CB-CE3 3.96Å; C248-W279 HydrophobicContact CB-CH2 4.34Å; C248-W279 HydrophobicContact CB-CZ3 4Å |
| 249 | R | 92.4 | Very high | 93.1 | Very high | 157 Ų | 157 | 51.7 Ų | 51.7 | 59% | 0.592 | 27% | 0.273 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 137.1 | -178.1 | -63.9 | 177.3 | -178.5 | 82.2 | 0.6 | 111.3 | T247 W279 | T247-R249 HydrophobicContact CG2-CG 3.75Å; T247-R249 PolarHBondContact O-N 2.85Å; T247-R249 PolarHBondContact O-NH1 2.86Å; R249-W279 WeakPolarHBondContact O-CH2 3.35Å; R249-W279 WeakPolarHBondContact O-CZ3 3.45Å |
| 250 | G | 89.8 | Confident | 93.4 | Very high | 34 Ų | 34 | 45.9 Ų | 45.9 | 35% | 0.351 | 24% | 0.242 | S | C | . | . | trans | 150.7 | -13.1 | 166.6 | 0 | 0 | 0 | 0 | 0 | 116.8 | R277 | G250-R277 PolarHBondContact O-NH1 3.44Å; G250-R277 PolarHBondContact O-NH2 2.9Å | ||
| 251 | H | 94.4 | Very high | 93.5 | Very high | 11 Ų | 11 | 42.2 Ų | 42.2 | 5% | 0.051 | 21% | 0.21 | C | C | . | . | trans | -63 | 144.1 | 169.4 | -83.8 | -66.8 | 0 | 0 | 0 | 110.3 | V255 S269 S271 D273 T275 R277 W279 | H251-V255 HydrophobicContact CB-CG2 3.87Å; H251-S269 PolarHBondContact NE2-OG 2.78Å; H251-S271 WeakPolarHBondContact CE1-CB 3.36Å; H251-S271 WeakPolarHBondContact ND1-CB 3.39Å; H251-D273 WeakPolarHBondContact CA-OD2 3.22Å; H251-D273 IonicContact CE1-OD1 2.74Å; H251-D273 IonicContact CG-OD2 3.3Å; H251-D273 IonicContact ND1-OD1 3.82Å; H251-D273 PolarHBondContact ND1-OD1 2.89Å; H251-D273 IonicContact ND1-OD2 2.82Å; H251-D273 PolarHBondContact ND1-OD2 2.98Å; H251-T275 PolarHBondContact CE1-OG1 3.44Å; H251-T275 VanDerWaalsContact CE1-OG1 3.3Å; H251-T275 PolarHBondContact ND1-OG1 3.4Å; H251-R277 VanDerWaalsContact CE1-CD 3.48Å; H251-R277 WeakPolarHBondContact CE1-CD 3.32Å; H251-R277 PolarHBondContact ND1-NE 3.39Å; H251-W279 AromaticContact CD2-CZ2 3.96Å | ||
| 252 | L | 93.3 | Very high | 93.1 | Very high | 121 Ų | 121 | 38.8 Ų | 38.8 | 63% | 0.634 | 20% | 0.2 | S | C | * | . | S | Bend | trans | -95.6 | -6.7 | -175.6 | -58.2 | 176.4 | 0 | 0 | 0 | 113.2 | D273 | L252-D273 HydrophobicContact CB-CB 3.92Å; L252-D273 PolarHBondContact N-OD2 3.24Å |
| 253 | N | 94.5 | Very high | 92.4 | Very high | 57 Ų | 57 | 45.4 Ų | 45.4 | 31% | 0.305 | 22% | 0.221 | S | C | . | . | S | Bend | trans | -149.5 | 179.4 | -177.1 | -156.3 | 2.3 | 0 | 0 | 0 | 108.9 | V255 S271 E272 D273 | N253-V255 PolarHBondContact O-N 3.29Å; N253-S271 PolarHBondContact O-OG 3.43Å; N253-E272 HydrophobicContact CB-CB 4.23Å; N253-E272 VanDerWaalsContact ND2-CB 3.33Å; N253-E272 WeakPolarHBondContact ND2-CB 3.35Å; N253-E272 PolarHBondContact ND2-O 3.31Å; N253-E272 VanDerWaalsContact ND2-O 3.16Å; N253-D273 HydrophobicContact CB-CB 3.81Å |
| 254 | N | 96.4 | Very high | 91.7 | Very high | 32 Ų | 32 | 42.4 Ų | 42.4 | 17% | 0.171 | 22% | 0.216 | C | C | . | . | trans | -46 | 133.7 | 179.6 | -61 | 4.2 | 0 | 0 | 0 | 112.2 | D228 S271 E272 | D228-N254 VanDerWaalsContact CG-ND2 3.31Å; D228-N254 PolarHBondContact O-OD1 3.16Å; D228-N254 VanDerWaalsContact OD1-CB 3.26Å; D228-N254 WeakPolarHBondContact OD1-CB 3.47Å; D228-N254 PolarHBondContact OD1-ND2 2.9Å; N254-S271 WeakPolarHBondContact O-CA 3.43Å; N254-S271 VanDerWaalsContact O-CB 3.32Å; N254-S271 WeakPolarHBondContact O-CB 3.5Å; N254-S271 PolarHBondContact O-OG 2.88Å; N254-E272 HydrophobicContact CB-CG 4.47Å; N254-E272 PolarHBondContact O-N 3.41Å; N254-E272 VanDerWaalsContact O-N 3.08Å | ||
| 255 | V | 97.2 | Very high | 91.4 | Very high | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 122.6 | 174.7 | -167.3 | 0 | 0 | 0 | 0 | 108 | N212 A226 A227 M232 H251 N253 D270 | N212-V255 PolarHBondContact ND2-O 2.93Å; A226-V255 HydrophobicContact CB-CB 3.93Å; A226-V255 HydrophobicContact CB-CG1 3.7Å; A227-V255 PolarHBondContact O-N 3.31Å; A227-V255 VanDerWaalsContact O-N 3.12Å; M232-V255 HydrophobicContact CG-CB 4.49Å; M232-V255 HydrophobicContact CG-CG1 3.93Å; M232-V255 HydrophobicContact CG-CG2 4.34Å; M232-V255 HydrophobicContact SD-CG1 4.04Å; H251-V255 HydrophobicContact CB-CG2 3.87Å; N253-V255 PolarHBondContact O-N 3.29Å; V255-D270 VanDerWaalsContact CG1-O 3.29Å; V255-D270 WeakPolarHBondContact CG1-O 3.4Å |
| 256 | S | 96.4 | Very high | 91.3 | Very high | 12 Ų | 12 | 41.7 Ų | 41.7 | 8% | 0.084 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | -43.2 | -168.8 | -56.9 | 0 | 0 | 0 | 0 | 112.1 | D270 F297 | S256-D270 PolarHBondContact N-O 3.4Å; S256-F297 PolarHBondContact OG-O 3.32Å |
| 257 | C | 96.6 | Very high | 91.4 | Very high | 1 Ų | 1 | 39.1 Ų | 39.1 | 1% | 0.007 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.7 | 148.3 | 174.4 | 177.7 | 0 | 0 | 0 | 0 | 111 | W213 S269 D270 L300 | W213-C257 HydrophobicContact CD2-CB 4.06Å; W213-C257 HydrophobicContact CE3-CB 4.44Å; W213-C257 HydrophobicContact CG-CB 4.13Å; W213-C257 PolarHBondContact NE1-SG 2.79Å; W213-C257 VanDerWaalsContact NE1-SG 3.38Å; C257-S269 VanDerWaalsContact O-CA 3.27Å; C257-S269 WeakPolarHBondContact O-CA 3.32Å; C257-D270 WeakPolarHBondContact CA-OD1 3.48Å; C257-D270 VanDerWaalsContact CB-OD1 3.26Å; C257-D270 WeakPolarHBondContact CB-OD1 3.48Å; C257-D270 PolarHBondContact N-OD1 2.87Å; C257-D270 PolarHBondContact O-N 3.29Å; C257-L300 HydrophobicContact CB-CB 4.04Å; C257-L300 PolarHBondContact SG-O 3.24Å |
| 258 | A | 96.4 | Very high | 91.5 | Very high | 1 Ų | 1 | 38.9 Ų | 38.9 | 1% | 0.008 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 137 | 169.6 | 0 | 0 | 0 | 0 | 0 | 110.2 | S215 I224 A226 M232 L268 | S215-A258 WeakPolarHBondContact CB-O 3.46Å; I224-A258 HydrophobicContact CD1-CB 4.03Å; I224-A258 HydrophobicContact CG1-CB 4.19Å; I224-A258 HydrophobicContact CG2-CB 4.27Å; A226-A258 HydrophobicContact CB-CB 3.88Å; M232-A258 HydrophobicContact CG-CB 4.43Å; M232-A258 HydrophobicContact SD-CB 3.51Å; M232-A258 VanDerWaalsContact SD-CB 3.51Å; A258-L268 WeakPolarHBondContact CA-O 3.47Å |
| 259 | L | 94.7 | Very high | 91.7 | Very high | 10 Ų | 10 | 38.8 Ų | 38.8 | 5% | 0.052 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.6 | 151.8 | 179.9 | 66.1 | 83.8 | 0 | 0 | 0 | 112.3 | L268 L300 F309 | L259-L268 HydrophobicContact CD1-CB 4.03Å; L259-L268 HydrophobicContact CD1-CD1 3.98Å; L259-L268 HydrophobicContact CD1-CG 4.47Å; L259-L268 HydrophobicContact CG-CB 4.29Å; L259-L268 PolarHBondContact N-O 3.5Å; L259-L268 PolarHBondContact O-N 3.48Å; L259-L300 HydrophobicContact CD2-CB 4.03Å; L259-L300 HydrophobicContact CD2-CD2 3.73Å; L259-L300 HydrophobicContact CD2-CG 3.66Å; L259-L300 HydrophobicContact CG-CD2 3.9Å; L259-L300 HydrophobicContact CG-CG 4.39Å; L259-F309 HydrophobicContact CD1-CD1 4.17Å; L259-F309 HydrophobicContact CD1-CE1 3.89Å |
| 260 | F | 93.2 | Very high | 91.8 | Very high | 9 Ų | 9 | 31.3 Ų | 31.3 | 4% | 0.039 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.3 | 140.3 | 169 | -62.2 | -79 | 0 | 0 | 0 | 110.8 | H217 L222 I224 L234 I267 F281 | H217-F260 VanDerWaalsContact CA-CD2 3.42Å; H217-F260 HydrophobicContact CB-CD1 4.46Å; H217-F260 HydrophobicContact CB-CD2 3.74Å; H217-F260 HydrophobicContact CB-CE1 4.39Å; H217-F260 HydrophobicContact CB-CE2 3.64Å; H217-F260 HydrophobicContact CB-CG 4.14Å; H217-F260 HydrophobicContact CB-CZ 3.98Å; H217-F260 AromaticContact CD2-CD1 3.64Å; H217-F260 AromaticContact CD2-CG 3.72Å; L222-F260 HydrophobicContact CB-CZ 4.44Å; I224-F260 HydrophobicContact CB-CE1 4.44Å; I224-F260 HydrophobicContact CB-CE2 3.8Å; I224-F260 HydrophobicContact CB-CZ 3.64Å; I224-F260 HydrophobicContact CG2-CD2 3.98Å; I224-F260 HydrophobicContact CG2-CE2 3.46Å; I224-F260 VanDerWaalsContact CG2-CE2 3.46Å; I224-F260 HydrophobicContact CG2-CZ 3.81Å; L234-F260 HydrophobicContact CD1-CE1 3.82Å; L234-F260 HydrophobicContact CD1-CZ 3.6Å; F260-I267 HydrophobicContact CD1-CG1 3.91Å; F260-I267 HydrophobicContact CE1-CD1 4.34Å; F260-I267 HydrophobicContact CE1-CG1 4.05Å; F260-F281 HydrophobicContact CD1-CD2 4.42Å; F260-F281 HydrophobicContact CE1-CD2 4.17Å; F260-F281 HydrophobicContact CE1-CE2 4.03Å |
| 261 | H | 89.4 | Confident | 92.2 | Very high | 9 Ų | 9 | 29.7 Ų | 29.7 | 4% | 0.042 | 15% | 0.152 | C | C | . | . | trans | -68.6 | 128.5 | 169.4 | -173.4 | -46.6 | 0 | 0 | 0 | 109 | R263 A264 L266 L268 F309 | H261-R263 PolarHBondContact ND1-N 2.99Å; H261-R263 PolarHBondContact O-N 3.32Å; H261-A264 PolarHBondContact ND1-N 3.34Å; H261-L266 HydrophobicContact CB-CB 3.88Å; H261-L266 VanDerWaalsContact CB-O 3.29Å; H261-L266 WeakPolarHBondContact CB-O 3.49Å; H261-L266 PolarHBondContact N-O 3.04Å; H261-L268 HydrophobicContact CB-CD1 4Å; H261-F309 HydrophobicContact CB-CZ 4.44Å; H261-F309 AromaticContact CD2-CE2 3.93Å; H261-F309 AromaticContact CD2-CZ 3.46Å; H261-F309 VanDerWaalsContact CD2-CZ 3.46Å; H261-F309 WeakPolarHBondContact CD2-CZ 3.26Å; H261-F309 AromaticContact CG-CZ 3.79Å; H261-F309 AromaticContact NE2-CE2 3.78Å; H261-F309 AromaticContact NE2-CZ 3.62Å | ||
| 262 | P | 83 | Confident | 92.2 | Very high | 48 Ų | 48 | 30.8 Ų | 30.8 | 31% | 0.312 | 16% | 0.157 | S | C | . | . | S | Bend | trans | -73.1 | 14.7 | -171.1 | 29.1 | -37.9 | 0 | 0 | 0 | 115.8 | ||
| 263 | R | 76.9 | Confident | 92.3 | Very high | 172 Ų | 172 | 25.5 Ų | 25.5 | 65% | 0.649 | 13% | 0.129 | S | C | * | . | S | Bend | trans | -158.7 | -32.9 | -170.1 | -71.2 | -168.6 | 174.5 | 155.7 | 3.7 | 115.4 | H261 S305 | H261-R263 PolarHBondContact ND1-N 2.99Å; H261-R263 PolarHBondContact O-N 3.32Å; R263-S305 PolarHBondContact NH2-O 3.18Å |
| 264 | A | 80.2 | Confident | 92.3 | Very high | 29 Ų | 29 | 26.1 Ų | 26.1 | 24% | 0.24 | 13% | 0.129 | C | C | . | . | S | Bend | trans | -113.6 | 154.4 | -179.2 | 0 | 0 | 0 | 0 | 0 | 108.4 | H261 L266 | H261-A264 PolarHBondContact ND1-N 3.34Å; A264-L266 HydrophobicContact CB-CD1 4.07Å; A264-L266 HydrophobicContact CB-CG 4.12Å; A264-L266 PolarHBondContact O-N 2.95Å |
| 265 | D | 86.3 | Confident | 92.2 | Very high | 90 Ų | 90 | 24.7 Ų | 24.7 | 48% | 0.481 | 12% | 0.122 | S | C | . | . | S | Bend | trans | -77.2 | 64.1 | 180 | -54.2 | -41.1 | 0 | 0 | 0 | 110.6 | F281 H282 | D265-F281 HydrophobicContact CB-CB 4.02Å; D265-F281 HydrophobicContact CB-CD1 4.24Å; D265-F281 WeakPolarHBondContact O-CB 3.42Å; D265-F281 PolarHBondContact O-N 3.14Å; D265-H282 IonicContact OD2-CE1 2.65Å; D265-H282 PolarHBondContact OD2-CE1 3.45Å |
| 266 | L | 89.8 | Confident | 92.1 | Very high | 21 Ų | 21 | 24.9 Ų | 24.9 | 11% | 0.11 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 142.2 | -175.3 | -62.7 | 176.7 | 0 | 0 | 0 | 110.4 | H261 A264 V278 W279 L287 I322 | H261-L266 HydrophobicContact CB-CB 3.88Å; H261-L266 VanDerWaalsContact CB-O 3.29Å; H261-L266 WeakPolarHBondContact CB-O 3.49Å; H261-L266 PolarHBondContact N-O 3.04Å; A264-L266 HydrophobicContact CB-CD1 4.07Å; A264-L266 HydrophobicContact CB-CG 4.12Å; A264-L266 PolarHBondContact O-N 2.95Å; L266-V278 HydrophobicContact CB-CG1 4.38Å; L266-V278 HydrophobicContact CD1-CG1 4.15Å; L266-V278 HydrophobicContact CD2-CG1 4.19Å; L266-V278 HydrophobicContact CG-CG1 4.49Å; L266-W279 WeakPolarHBondContact CA-O 3.32Å; L266-W279 WeakPolarHBondContact CD2-O 3.31Å; L266-L287 HydrophobicContact CD2-CD1 3.57Å; L266-I322 HydrophobicContact CD1-CD1 4.32Å |
| 267 | I | 93.4 | Very high | 91.9 | Very high | 0 Ų | 0 | 25.6 Ų | 25.6 | 0% | 0 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 140.8 | 167.3 | -63.4 | 158 | 0 | 0 | 0 | 107.4 | I224 M232 F260 V278 W279 F281 | I224-I267 HydrophobicContact CD1-CD1 4.02Å; I224-I267 HydrophobicContact CD1-CG1 4.29Å; I224-I267 HydrophobicContact CD1-CG2 3.47Å; I224-I267 VanDerWaalsContact CD1-CG2 3.47Å; M232-I267 HydrophobicContact CE-CG2 4.08Å; F260-I267 HydrophobicContact CD1-CG1 3.91Å; F260-I267 HydrophobicContact CE1-CD1 4.34Å; F260-I267 HydrophobicContact CE1-CG1 4.05Å; I267-V278 WeakPolarHBondContact O-CA 3.48Å; I267-W279 HydrophobicContact CB-CB 4.22Å; I267-W279 PolarHBondContact N-O 2.81Å; I267-W279 PolarHBondContact O-N 3.03Å; I267-F281 HydrophobicContact CD1-CD2 4.17Å; I267-F281 HydrophobicContact CG1-CD2 4.36Å |
| 268 | L | 94.2 | Very high | 91.7 | Very high | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 144.1 | 168.2 | -66.2 | 81.4 | 0 | 0 | 0 | 109.6 | A258 L259 H261 R277 V278 L300 F309 F320 I322 | A258-L268 WeakPolarHBondContact CA-O 3.47Å; L259-L268 HydrophobicContact CD1-CB 4.03Å; L259-L268 HydrophobicContact CD1-CD1 3.98Å; L259-L268 HydrophobicContact CD1-CG 4.47Å; L259-L268 HydrophobicContact CG-CB 4.29Å; L259-L268 PolarHBondContact N-O 3.5Å; L259-L268 PolarHBondContact O-N 3.48Å; H261-L268 HydrophobicContact CB-CD1 4Å; L268-R277 WeakPolarHBondContact CA-O 3.29Å; L268-V278 HydrophobicContact CG-CG2 4.39Å; L268-L300 HydrophobicContact CB-CD2 3.57Å; L268-L300 HydrophobicContact CD2-CD2 4.44Å; L268-F309 HydrophobicContact CD1-CD1 4.46Å; L268-F309 HydrophobicContact CD1-CE1 3.9Å; L268-F309 HydrophobicContact CD1-CZ 4.09Å; L268-F309 HydrophobicContact CD2-CB 4.45Å; L268-F309 HydrophobicContact CD2-CD1 3.75Å; L268-F309 HydrophobicContact CD2-CD2 4.22Å; L268-F309 HydrophobicContact CD2-CE1 4.01Å; L268-F309 HydrophobicContact CD2-CE2 4.47Å; L268-F309 HydrophobicContact CD2-CG 3.87Å; L268-F309 HydrophobicContact CD2-CZ 4.37Å; L268-F320 HydrophobicContact CD2-CE2 4.04Å; L268-F320 HydrophobicContact CD2-CZ 4.19Å; L268-I322 HydrophobicContact CD1-CD1 3.84Å; L268-I322 HydrophobicContact CD2-CD1 3.83Å; L268-I322 HydrophobicContact CD2-CG1 4.46Å; L268-I322 HydrophobicContact CG-CD1 4.08Å |
| 269 | S | 96.4 | Very high | 91.5 | Very high | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.3 | 155.4 | 176.3 | 63.8 | 0 | 0 | 0 | 0 | 111.9 | M232 H251 C257 I276 R277 W279 | M232-S269 WeakPolarHBondContact SD-CB 3.31Å; H251-S269 PolarHBondContact NE2-OG 2.78Å; C257-S269 VanDerWaalsContact O-CA 3.27Å; C257-S269 WeakPolarHBondContact O-CA 3.32Å; S269-I276 CarbonylContact O-C 3.58Å; S269-I276 VanDerWaalsContact O-CA 3.26Å; S269-I276 WeakPolarHBondContact O-CA 3.34Å; S269-R277 PolarHBondContact N-O 3.39Å; S269-R277 PolarHBondContact O-N 3.21Å; S269-W279 PolarHBondContact OG-NE1 3.37Å |
| 270 | D | 96.2 | Very high | 91.1 | Very high | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 157.8 | 172.8 | 79.2 | -12.4 | 0 | 0 | 0 | 111.4 | V255 S256 C257 T275 I276 F297 W298 V299 | V255-D270 VanDerWaalsContact CG1-O 3.29Å; V255-D270 WeakPolarHBondContact CG1-O 3.4Å; S256-D270 PolarHBondContact N-O 3.4Å; C257-D270 WeakPolarHBondContact CA-OD1 3.48Å; C257-D270 VanDerWaalsContact CB-OD1 3.26Å; C257-D270 WeakPolarHBondContact CB-OD1 3.48Å; C257-D270 PolarHBondContact N-OD1 2.87Å; C257-D270 PolarHBondContact O-N 3.29Å; D270-T275 WeakPolarHBondContact CA-O 3.49Å; D270-I276 HydrophobicContact CB-CG1 4.08Å; D270-F297 HydrophobicContact CB-CB 3.59Å; D270-F297 HydrophobicContact CB-CG 4.34Å; D270-F297 WeakPolarHBondContact OD2-CB 3.49Å; D270-W298 PolarHBondContact OD2-N 3.43Å; D270-V299 PolarHBondContact OD2-N 2.69Å |
| 271 | S | 96.7 | Very high | 90.8 | Very high | 0 Ų | 0 | 26.7 Ų | 26.7 | 0% | 0 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.3 | 155.8 | -169.6 | 172.3 | 0 | 0 | 0 | 0 | 113.1 | H251 N253 N254 D273 K274 T275 F297 | H251-S271 WeakPolarHBondContact CE1-CB 3.36Å; H251-S271 WeakPolarHBondContact ND1-CB 3.39Å; N253-S271 PolarHBondContact O-OG 3.43Å; N254-S271 WeakPolarHBondContact O-CA 3.43Å; N254-S271 VanDerWaalsContact O-CB 3.32Å; N254-S271 WeakPolarHBondContact O-CB 3.5Å; N254-S271 PolarHBondContact O-OG 2.88Å; S271-D273 WeakPolarHBondContact CB-OD1 3.49Å; S271-D273 PolarHBondContact O-N 3.07Å; S271-D273 VanDerWaalsContact O-N 3.14Å; S271-D273 PolarHBondContact OG-N 3.17Å; S271-D273 PolarHBondContact OG-OD1 3.49Å; S271-K274 PolarHBondContact O-N 3.28Å; S271-K274 VanDerWaalsContact O-N 3.11Å; S271-T275 PolarHBondContact N-O 3.44Å; S271-T275 VanDerWaalsContact N-O 3.17Å; S271-F297 PolarHBondContact O-N 3.48Å |
| 272 | E | 95.6 | Very high | 90.6 | Very high | 35 Ų | 35 | 31.6 Ų | 31.6 | 16% | 0.164 | 15% | 0.152 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.8 | -2.6 | 167 | -62.2 | -159.2 | -129.5 | 0 | 0 | 113.6 | N253 N254 K274 R296 W298 | N253-E272 HydrophobicContact CB-CB 4.23Å; N253-E272 VanDerWaalsContact ND2-CB 3.33Å; N253-E272 WeakPolarHBondContact ND2-CB 3.35Å; N253-E272 PolarHBondContact ND2-O 3.31Å; N253-E272 VanDerWaalsContact ND2-O 3.16Å; N254-E272 HydrophobicContact CB-CG 4.47Å; N254-E272 PolarHBondContact O-N 3.41Å; N254-E272 VanDerWaalsContact O-N 3.08Å; E272-K274 PolarHBondContact O-N 3.33Å; E272-R296 HydrophobicContact CB-CG 4.19Å; E272-R296 HydrophobicContact CG-CB 4.46Å; E272-R296 WeakPolarHBondContact OE2-CD 3.42Å; E272-R296 IonicContact OE2-CZ 2.86Å; E272-R296 IonicContact OE2-NE 3.38Å; E272-R296 IonicContact OE2-NH1 3.51Å; E272-R296 PolarHBondContact OE2-NH1 2.83Å; E272-W298 HydrophobicContact CG-CE3 4.48Å; E272-W298 HydrophobicContact CG-CH2 4.36Å; E272-W298 HydrophobicContact CG-CZ3 4.04Å; E272-W298 WeakPolarHBondContact OE1-CZ3 3.44Å |
| 273 | D | 94.1 | Very high | 90.8 | Very high | 10 Ų | 10 | 36.2 Ų | 36.2 | 5% | 0.053 | 17% | 0.167 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.8 | 3.6 | 166.9 | 78.5 | -3.4 | 0 | 0 | 0 | 113.1 | H251 L252 N253 S271 T275 R277 R291 | H251-D273 WeakPolarHBondContact CA-OD2 3.22Å; H251-D273 IonicContact CE1-OD1 2.74Å; H251-D273 IonicContact CG-OD2 3.3Å; H251-D273 IonicContact ND1-OD1 3.82Å; H251-D273 PolarHBondContact ND1-OD1 2.89Å; H251-D273 IonicContact ND1-OD2 2.82Å; H251-D273 PolarHBondContact ND1-OD2 2.98Å; L252-D273 HydrophobicContact CB-CB 3.92Å; L252-D273 PolarHBondContact N-OD2 3.24Å; N253-D273 HydrophobicContact CB-CB 3.81Å; S271-D273 WeakPolarHBondContact CB-OD1 3.49Å; S271-D273 PolarHBondContact O-N 3.07Å; S271-D273 VanDerWaalsContact O-N 3.14Å; S271-D273 PolarHBondContact OG-N 3.17Å; S271-D273 PolarHBondContact OG-OD1 3.49Å; D273-T275 VanDerWaalsContact C-N 3.32Å; D273-T275 VanDerWaalsContact CG-OG1 3.27Å; D273-T275 WeakPolarHBondContact OD1-CA 3.41Å; D273-T275 WeakPolarHBondContact OD1-CB 3.26Å; D273-T275 WeakPolarHBondContact OD1-CG2 3.32Å; D273-T275 PolarHBondContact OD1-N 2.94Å; D273-T275 PolarHBondContact OD1-OG1 3.05Å; D273-T275 PolarHBondContact OD2-OG1 3.31Å; D273-R277 IonicContact OD2-CZ 3.55Å; D273-R277 IonicContact OD2-NE 3.38Å; D273-R277 IonicContact OD2-NH2 3.95Å; D273-R277 PolarHBondContact OD2-NH2 3.5Å; D273-R291 PolarHBondContact O-NH1 2.9Å |
| 274 | K | 94.4 | Very high | 91.2 | Very high | 69 Ų | 69 | 30.6 Ų | 30.6 | 30% | 0.3 | 15% | 0.146 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 69.4 | 26.7 | -178.6 | -45 | -172.2 | -169.5 | -171.2 | 0 | 113.4 | S271 E272 R291 Q292 E293 D295 R296 | S271-K274 PolarHBondContact O-N 3.28Å; S271-K274 VanDerWaalsContact O-N 3.11Å; E272-K274 PolarHBondContact O-N 3.33Å; K274-R291 WeakPolarHBondContact O-CA 3.23Å; K274-Q292 WeakPolarHBondContact CB-O 3.47Å; K274-Q292 PolarHBondContact O-N 3.47Å; K274-E293 WeakPolarHBondContact CD-O 3.42Å; K274-E293 WeakPolarHBondContact CE-O 3.49Å; K274-E293 PolarHBondContact NZ-O 3.42Å; K274-D295 WeakPolarHBondContact CA-O 3.41Å; K274-D295 WeakPolarHBondContact CB-O 3.38Å; K274-D295 WeakPolarHBondContact CG-O 3.48Å; K274-R296 HydrophobicContact CG-CG 4.32Å |
| 275 | T | 94.7 | Very high | 91.6 | Very high | 3 Ų | 3 | 32.5 Ų | 32.5 | 2% | 0.018 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 147.7 | 179.1 | 76.8 | 0 | 0 | 0 | 0 | 114.2 | H251 D270 S271 D273 R277 T289 F290 R291 | H251-T275 PolarHBondContact CE1-OG1 3.44Å; H251-T275 VanDerWaalsContact CE1-OG1 3.3Å; H251-T275 PolarHBondContact ND1-OG1 3.4Å; D270-T275 WeakPolarHBondContact CA-O 3.49Å; S271-T275 PolarHBondContact N-O 3.44Å; S271-T275 VanDerWaalsContact N-O 3.17Å; D273-T275 VanDerWaalsContact C-N 3.32Å; D273-T275 VanDerWaalsContact CG-OG1 3.27Å; D273-T275 WeakPolarHBondContact OD1-CA 3.41Å; D273-T275 WeakPolarHBondContact OD1-CB 3.26Å; D273-T275 WeakPolarHBondContact OD1-CG2 3.32Å; D273-T275 PolarHBondContact OD1-N 2.94Å; D273-T275 PolarHBondContact OD1-OG1 3.05Å; D273-T275 PolarHBondContact OD2-OG1 3.31Å; T275-R277 PolarHBondContact OG1-NE 2.92Å; T275-R277 VanDerWaalsContact OG1-NE 3.13Å; T275-T289 HydrophobicContact CG2-CG2 3.56Å; T275-F290 CarbonylContact C-O 3.53Å; T275-F290 WeakPolarHBondContact CA-O 3.3Å; T275-F290 WeakPolarHBondContact CB-O 3.26Å; T275-R291 HydrophobicContact CG2-CB 4Å; T275-R291 HydrophobicContact CG2-CG 4Å |
| 276 | I | 94.6 | Very high | 91.6 | Very high | 3 Ų | 3 | 30.4 Ų | 30.4 | 2% | 0.015 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 125.5 | 160.6 | -61.2 | 168 | 0 | 0 | 0 | 106.8 | M1 S269 D270 F290 F297 A311 I318 F320 | M1-I276 HydrophobicContact CE-CD1 3.81Å; S269-I276 CarbonylContact O-C 3.58Å; S269-I276 VanDerWaalsContact O-CA 3.26Å; S269-I276 WeakPolarHBondContact O-CA 3.34Å; D270-I276 HydrophobicContact CB-CG1 4.08Å; I276-F290 HydrophobicContact CB-CB 4.41Å; I276-F290 HydrophobicContact CB-CD1 4.43Å; I276-F290 HydrophobicContact CD1-CD1 4.18Å; I276-F290 PolarHBondContact N-O 3.37Å; I276-F290 PolarHBondContact O-N 2.93Å; I276-F297 HydrophobicContact CD1-CD1 3.83Å; I276-F297 HydrophobicContact CD1-CD2 4.47Å; I276-F297 HydrophobicContact CD1-CE1 3.67Å; I276-F297 HydrophobicContact CD1-CE2 4.32Å; I276-F297 HydrophobicContact CD1-CG 4.26Å; I276-F297 HydrophobicContact CD1-CZ 3.94Å; I276-F297 HydrophobicContact CG1-CD1 3.99Å; I276-F297 HydrophobicContact CG1-CD2 3.89Å; I276-F297 HydrophobicContact CG1-CE1 4.14Å; I276-F297 HydrophobicContact CG1-CE2 4.03Å; I276-F297 HydrophobicContact CG1-CG 3.88Å; I276-F297 HydrophobicContact CG1-CZ 4.17Å; I276-A311 HydrophobicContact CD1-CB 3.44Å; I276-A311 VanDerWaalsContact CD1-CB 3.44Å; I276-A311 HydrophobicContact CG1-CB 4.38Å; I276-I318 HydrophobicContact CD1-CD1 3.94Å; I276-F320 HydrophobicContact CD1-CE1 4.17Å; I276-F320 HydrophobicContact CD1-CZ 4.39Å; I276-F320 HydrophobicContact CG2-CZ 4.22Å |
| 277 | R | 93.4 | Very high | 91.4 | Very high | 27 Ų | 27 | 33.4 Ų | 33.4 | 10% | 0.102 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 147.2 | -179.4 | -64.9 | -176.4 | -169.2 | -151.8 | 14.6 | 111.8 | G250 H251 L268 S269 D273 T275 W279 H288 T289 | G250-R277 PolarHBondContact O-NH1 3.44Å; G250-R277 PolarHBondContact O-NH2 2.9Å; H251-R277 VanDerWaalsContact CE1-CD 3.48Å; H251-R277 WeakPolarHBondContact CE1-CD 3.32Å; H251-R277 PolarHBondContact ND1-NE 3.39Å; L268-R277 WeakPolarHBondContact CA-O 3.29Å; S269-R277 PolarHBondContact N-O 3.39Å; S269-R277 PolarHBondContact O-N 3.21Å; D273-R277 IonicContact OD2-CZ 3.55Å; D273-R277 IonicContact OD2-NE 3.38Å; D273-R277 IonicContact OD2-NH2 3.95Å; D273-R277 PolarHBondContact OD2-NH2 3.5Å; T275-R277 PolarHBondContact OG1-NE 2.92Å; T275-R277 VanDerWaalsContact OG1-NE 3.13Å; R277-W279 HydrophobicContact CB-CZ2 4.04Å; R277-W279 HydrophobicContact CG-CZ2 4.48Å; R277-H288 CarbonylContact C-O 3.59Å; R277-H288 VanDerWaalsContact CA-O 3.26Å; R277-H288 WeakPolarHBondContact CA-O 3.36Å; R277-T289 HydrophobicContact CG-CG2 4.1Å |
| 278 | V | 92 | Very high | 90.9 | Very high | 15 Ų | 15 | 35.5 Ų | 35.5 | 9% | 0.091 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 125.3 | 172.3 | -173.7 | 0 | 0 | 0 | 0 | 107.2 | L266 I267 L268 L287 H288 I322 | L266-V278 HydrophobicContact CB-CG1 4.38Å; L266-V278 HydrophobicContact CD1-CG1 4.15Å; L266-V278 HydrophobicContact CD2-CG1 4.19Å; L266-V278 HydrophobicContact CG-CG1 4.49Å; I267-V278 WeakPolarHBondContact O-CA 3.48Å; L268-V278 HydrophobicContact CG-CG2 4.39Å; V278-L287 WeakPolarHBondContact O-CA 3.45Å; V278-L287 WeakPolarHBondContact O-CB 3.12Å; V278-L287 PolarHBondContact O-N 3.13Å; V278-H288 HydrophobicContact CB-CB 4.23Å; V278-H288 HydrophobicContact CG2-CB 4.44Å; V278-H288 PolarHBondContact N-O 3.27Å; V278-H288 PolarHBondContact O-N 2.86Å; V278-I322 HydrophobicContact CG1-CD1 4.32Å; V278-I322 HydrophobicContact CG2-CD1 4.43Å |
| 279 | W | 91.4 | Very high | 90.7 | Very high | 3 Ų | 3 | 38.5 Ų | 38.5 | 1% | 0.011 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 144.6 | -174.4 | -47.8 | 76.6 | 0 | 0 | 0 | 110.6 | M232 C248 R249 H251 L266 I267 S269 R277 F281 T285 C286 | M232-W279 HydrophobicContact CE-CD2 4.09Å; M232-W279 HydrophobicContact CE-CG 4.21Å; M232-W279 HydrophobicContact CE-CZ2 4.03Å; M232-W279 VanDerWaalsContact CE-NE1 3.35Å; C248-W279 HydrophobicContact CB-CD2 4.26Å; C248-W279 HydrophobicContact CB-CE3 3.96Å; C248-W279 HydrophobicContact CB-CH2 4.34Å; C248-W279 HydrophobicContact CB-CZ3 4Å; R249-W279 WeakPolarHBondContact O-CH2 3.35Å; R249-W279 WeakPolarHBondContact O-CZ3 3.45Å; H251-W279 AromaticContact CD2-CZ2 3.96Å; L266-W279 WeakPolarHBondContact CA-O 3.32Å; L266-W279 WeakPolarHBondContact CD2-O 3.31Å; I267-W279 HydrophobicContact CB-CB 4.22Å; I267-W279 PolarHBondContact N-O 2.81Å; I267-W279 PolarHBondContact O-N 3.03Å; S269-W279 PolarHBondContact OG-NE1 3.37Å; R277-W279 HydrophobicContact CB-CZ2 4.04Å; R277-W279 HydrophobicContact CG-CZ2 4.48Å; W279-F281 PolarHBondContact O-N 2.87Å; W279-T285 VanDerWaalsContact CA-O 3.31Å; W279-T285 WeakPolarHBondContact CA-O 3.49Å; W279-C286 HydrophobicContact CD2-CB 4.21Å; W279-C286 HydrophobicContact CE3-CB 3.8Å; W279-C286 HydrophobicContact CH2-CB 4.26Å; W279-C286 HydrophobicContact CZ3-CB 3.82Å |
| 280 | D | 87.9 | Confident | 90.3 | Very high | 10 Ų | 10 | 40.4 Ų | 40.4 | 5% | 0.053 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.3 | 119 | 168.1 | -175.7 | -42.1 | 0 | 0 | 0 | 108.4 | H282 K283 R284 T285 L287 | D280-H282 PolarHBondContact O-N 3.29Å; D280-H282 WeakPolarHBondContact OD1-CA 3.22Å; D280-H282 WeakPolarHBondContact OD1-CB 3.27Å; D280-H282 PolarHBondContact OD1-N 2.88Å; D280-K283 HydrophobicContact CB-CB 4.02Å; D280-K283 PolarHBondContact O-N 2.92Å; D280-K283 PolarHBondContact OD1-N 3.43Å; D280-K283 WeakPolarHBondContact OD2-CD 3.47Å; D280-R284 VanDerWaalsContact O-CA 3.29Å; D280-R284 WeakPolarHBondContact O-CA 3.3Å; D280-R284 PolarHBondContact O-N 2.92Å; D280-T285 PolarHBondContact N-O 3Å; D280-L287 HydrophobicContact CB-CD1 3.9Å; D280-L287 HydrophobicContact CB-CD2 4.06Å; D280-L287 HydrophobicContact CB-CG 3.91Å |
| 281 | F | 85.9 | Confident | 90 | Very high | 16 Ų | 16 | 47 Ų | 47 | 7% | 0.07 | 22% | 0.224 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.2 | -31.3 | -179.2 | 168.9 | -99.7 | 0 | 0 | 0 | 113.1 | M220 L222 L234 F260 D265 I267 W279 R284 | M220-F281 HydrophobicContact SD-CZ 4.26Å; L222-F281 HydrophobicContact CD1-CE2 3.78Å; L222-F281 HydrophobicContact CD1-CZ 3.53Å; L234-F281 HydrophobicContact CD2-CE2 4.28Å; F260-F281 HydrophobicContact CD1-CD2 4.42Å; F260-F281 HydrophobicContact CE1-CD2 4.17Å; F260-F281 HydrophobicContact CE1-CE2 4.03Å; D265-F281 HydrophobicContact CB-CB 4.02Å; D265-F281 HydrophobicContact CB-CD1 4.24Å; D265-F281 WeakPolarHBondContact O-CB 3.42Å; D265-F281 PolarHBondContact O-N 3.14Å; I267-F281 HydrophobicContact CD1-CD2 4.17Å; I267-F281 HydrophobicContact CG1-CD2 4.36Å; W279-F281 PolarHBondContact O-N 2.87Å; F281-R284 WeakPolarHBondContact O-CD 3.36Å; F281-R284 PolarHBondContact O-NE 3.36Å; F281-R284 VanDerWaalsContact O-NE 3.13Å |
| 282 | H | 85.9 | Confident | 89.4 | Confident | 112 Ų | 112 | 48.3 Ų | 48.3 | 52% | 0.519 | 23% | 0.23 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85.8 | -38.1 | -177.9 | -67.5 | 92.2 | 0 | 0 | 0 | 112.3 | D265 D280 R284 | D265-H282 IonicContact OD2-CE1 2.65Å; D265-H282 PolarHBondContact OD2-CE1 3.45Å; D280-H282 PolarHBondContact O-N 3.29Å; D280-H282 WeakPolarHBondContact OD1-CA 3.22Å; D280-H282 WeakPolarHBondContact OD1-CB 3.27Å; D280-H282 PolarHBondContact OD1-N 2.88Å; H282-R284 PolarHBondContact O-NH1 3.32Å |
| 283 | K | 86.1 | Confident | 88.7 | Confident | 145 Ų | 145 | 54.6 Ų | 54.6 | 63% | 0.63 | 26% | 0.259 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.1 | -15.4 | -177.4 | -60.1 | -179.9 | -171.8 | 168.2 | 0 | 114.4 | D280 T285 | D280-K283 HydrophobicContact CB-CB 4.02Å; D280-K283 PolarHBondContact O-N 2.92Å; D280-K283 PolarHBondContact OD1-N 3.43Å; D280-K283 WeakPolarHBondContact OD2-CD 3.47Å; K283-T285 HydrophobicContact CB-CG2 4.18Å; K283-T285 WeakPolarHBondContact CB-OG1 3.41Å; K283-T285 PolarHBondContact O-N 3.43Å |
| 284 | R | 86.7 | Confident | 88.3 | Confident | 54 Ų | 54 | 58.2 Ų | 58.2 | 20% | 0.204 | 29% | 0.285 | C | S | . | . | trans | 56 | 17.4 | -174 | -67.6 | 76.6 | 176.8 | 179 | 5.8 | 113.3 | L234 D246 D280 F281 H282 | L234-R284 VanDerWaalsContact CD2-NH2 3.3Å; D246-R284 HydrophobicContact CB-CG 4.04Å; D246-R284 WeakPolarHBondContact OD2-CD 3.31Å; D246-R284 WeakPolarHBondContact OD2-CG 3.42Å; D246-R284 IonicContact OD2-NE 3.97Å; D280-R284 VanDerWaalsContact O-CA 3.29Å; D280-R284 WeakPolarHBondContact O-CA 3.3Å; D280-R284 PolarHBondContact O-N 2.92Å; F281-R284 WeakPolarHBondContact O-CD 3.36Å; F281-R284 PolarHBondContact O-NE 3.36Å; F281-R284 VanDerWaalsContact O-NE 3.13Å; H282-R284 PolarHBondContact O-NH1 3.32Å | ||
| 285 | T | 87.4 | Confident | 88.1 | Confident | 70 Ų | 70 | 55 Ų | 55 | 43% | 0.429 | 27% | 0.271 | S | S | . | . | trans | -88.4 | 142.4 | 175.3 | 53.5 | 0 | 0 | 0 | 0 | 110.6 | W279 D280 K283 L287 | W279-T285 VanDerWaalsContact CA-O 3.31Å; W279-T285 WeakPolarHBondContact CA-O 3.49Å; D280-T285 PolarHBondContact N-O 3Å; K283-T285 HydrophobicContact CB-CG2 4.18Å; K283-T285 WeakPolarHBondContact CB-OG1 3.41Å; K283-T285 PolarHBondContact O-N 3.43Å; T285-L287 PolarHBondContact O-N 3.49Å | ||
| 286 | C | 87.2 | Confident | 88.1 | Confident | 45 Ų | 45 | 58.7 Ų | 58.7 | 30% | 0.304 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.9 | 113.8 | 171.9 | -176.5 | 0 | 0 | 0 | 0 | 109.4 | W279 H288 T289 | W279-C286 HydrophobicContact CD2-CB 4.21Å; W279-C286 HydrophobicContact CE3-CB 3.8Å; W279-C286 HydrophobicContact CH2-CB 4.26Å; W279-C286 HydrophobicContact CZ3-CB 3.82Å; C286-H288 VanDerWaalsContact SG-C 3.6Å; C286-H288 PolarHBondContact SG-O 3.15Å; C286-H288 VanDerWaalsContact SG-O 3.4Å; C286-T289 PolarHBondContact SG-OG1 3.4Å |
| 287 | L | 84.9 | Confident | 88.2 | Confident | 84 Ų | 84 | 58.5 Ų | 58.5 | 44% | 0.44 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.3 | -28.8 | 174.5 | -64.8 | 175.6 | 0 | 0 | 0 | 112 | L266 V278 D280 T285 | L266-L287 HydrophobicContact CD2-CD1 3.57Å; V278-L287 WeakPolarHBondContact O-CA 3.45Å; V278-L287 WeakPolarHBondContact O-CB 3.12Å; V278-L287 PolarHBondContact O-N 3.13Å; D280-L287 HydrophobicContact CB-CD1 3.9Å; D280-L287 HydrophobicContact CB-CD2 4.06Å; D280-L287 HydrophobicContact CB-CG 3.91Å; T285-L287 PolarHBondContact O-N 3.49Å |
| 288 | H | 83.1 | Confident | 88.3 | Confident | 45 Ų | 45 | 59 Ų | 59 | 21% | 0.208 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.8 | 136.9 | -178.1 | -172.8 | -91.4 | 0 | 0 | 0 | 112.9 | R277 V278 C286 F290 L388 | R277-H288 CarbonylContact C-O 3.59Å; R277-H288 VanDerWaalsContact CA-O 3.26Å; R277-H288 WeakPolarHBondContact CA-O 3.36Å; V278-H288 HydrophobicContact CB-CB 4.23Å; V278-H288 HydrophobicContact CG2-CB 4.44Å; V278-H288 PolarHBondContact N-O 3.27Å; V278-H288 PolarHBondContact O-N 2.86Å; C286-H288 VanDerWaalsContact SG-C 3.6Å; C286-H288 PolarHBondContact SG-O 3.15Å; C286-H288 VanDerWaalsContact SG-O 3.4Å; H288-F290 PolarHBondContact CE1-N 3.18Å; H288-F290 PolarHBondContact ND1-N 3.38Å; H288-L388 HydrophobicContact CB-CD1 3.67Å; H288-L388 VanDerWaalsContact CD2-CD1 3.47Å; H288-L388 WeakPolarHBondContact CD2-CD1 3.46Å; H288-L388 WeakPolarHBondContact CD2-CD2 3.46Å; H288-L388 WeakPolarHBondContact NE2-CD2 3.19Å |
| 289 | T | 90 | Very high | 88.5 | Confident | 63 Ų | 63 | 58.7 Ų | 58.7 | 39% | 0.387 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 115.4 | 168.7 | -54.6 | 0 | 0 | 0 | 0 | 109.1 | T275 R277 C286 | T275-T289 HydrophobicContact CG2-CG2 3.56Å; R277-T289 HydrophobicContact CG-CG2 4.1Å; C286-T289 PolarHBondContact SG-OG1 3.4Å |
| 290 | F | 89.2 | Confident | 88.8 | Confident | 39 Ų | 39 | 58.8 Ų | 58.8 | 17% | 0.171 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 133.6 | 164.2 | 174.3 | -104.8 | 0 | 0 | 0 | 108.3 | M1 T275 I276 H288 Q292 F297 I318 | M1-F290 HydrophobicContact CE-CD1 3.83Å; M1-F290 HydrophobicContact CE-CE1 4.06Å; M1-F290 HydrophobicContact CE-CG 4.18Å; M1-F290 HydrophobicContact SD-CB 3.81Å; M1-F290 HydrophobicContact SD-CD1 3.55Å; M1-F290 VanDerWaalsContact SD-CD1 3.55Å; M1-F290 HydrophobicContact SD-CD2 3.43Å; M1-F290 WeakPolarHBondContact SD-CD2 3.29Å; M1-F290 HydrophobicContact SD-CE1 3.92Å; M1-F290 HydrophobicContact SD-CE2 3.83Å; M1-F290 HydrophobicContact SD-CG 3.28Å; M1-F290 WeakPolarHBondContact SD-CG 3.48Å; M1-F290 HydrophobicContact SD-CZ 4.06Å; T275-F290 CarbonylContact C-O 3.53Å; T275-F290 WeakPolarHBondContact CA-O 3.3Å; T275-F290 WeakPolarHBondContact CB-O 3.26Å; I276-F290 HydrophobicContact CB-CB 4.41Å; I276-F290 HydrophobicContact CB-CD1 4.43Å; I276-F290 HydrophobicContact CD1-CD1 4.18Å; I276-F290 PolarHBondContact N-O 3.37Å; I276-F290 PolarHBondContact O-N 2.93Å; H288-F290 PolarHBondContact CE1-N 3.18Å; H288-F290 PolarHBondContact ND1-N 3.38Å; F290-Q292 HydrophobicContact CE1-CB 4.38Å; F290-F297 HydrophobicContact CD1-CZ 4.32Å; F290-F297 AromaticContact CE1-CZ 3.97Å; F290-F297 HydrophobicContact CE1-CZ 3.97Å; F290-I318 HydrophobicContact CD1-CD1 4.47Å; F290-I318 HydrophobicContact CE1-CD1 3.74Å; F290-I318 HydrophobicContact CZ-CD1 4.41Å |
| 291 | R | 89 | Confident | 89.1 | Confident | 140 Ų | 140 | 59.7 Ų | 59.7 | 53% | 0.528 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 142.2 | -179.1 | -173.9 | 175 | -179.6 | 83.4 | -3.6 | 110.4 | D273 K274 T275 | D273-R291 PolarHBondContact O-NH1 2.9Å; K274-R291 WeakPolarHBondContact O-CA 3.23Å; T275-R291 HydrophobicContact CG2-CB 4Å; T275-R291 HydrophobicContact CG2-CG 4Å |
| 292 | Q | 84.4 | Confident | 89.5 | Confident | 27 Ų | 27 | 60.6 Ų | 60.6 | 13% | 0.126 | 30% | 0.299 | C | S | . | . | trans | -129.6 | 110.2 | 174.3 | -173.1 | 162.8 | -40.2 | 0 | 0 | 109.2 | K274 F290 S294 D295 F297 | K274-Q292 WeakPolarHBondContact CB-O 3.47Å; K274-Q292 PolarHBondContact O-N 3.47Å; F290-Q292 HydrophobicContact CE1-CB 4.38Å; Q292-S294 VanDerWaalsContact C-N 3.25Å; Q292-S294 PolarHBondContact O-N 2.76Å; Q292-S294 VanDerWaalsContact O-N 3.09Å; Q292-D295 HydrophobicContact CB-CB 4.32Å; Q292-D295 HydrophobicContact CG-CB 3.95Å; Q292-D295 VanDerWaalsContact NE2-CG 3.34Å; Q292-D295 PolarHBondContact NE2-OD2 3.25Å; Q292-D295 PolarHBondContact O-N 2.88Å; Q292-D295 VanDerWaalsContact O-N 3.14Å; Q292-F297 HydrophobicContact CB-CE2 4.19Å; Q292-F297 HydrophobicContact CB-CZ 4.02Å | ||
| 293 | E | 81.4 | Confident | 89.8 | Confident | 167 Ų | 167 | 55.4 Ų | 55.4 | 78% | 0.78 | 28% | 0.275 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.6 | -28.4 | -161.6 | -61.9 | -176.2 | 158.3 | 0 | 0 | 115.2 | K274 | K274-E293 WeakPolarHBondContact CD-O 3.42Å; K274-E293 WeakPolarHBondContact CE-O 3.49Å; K274-E293 PolarHBondContact NZ-O 3.42Å |
| 294 | S | 85.2 | Confident | 89.7 | Confident | 85 Ų | 85 | 52.7 Ų | 52.7 | 59% | 0.594 | 27% | 0.272 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.6 | -23.7 | -179.6 | 40.7 | 0 | 0 | 0 | 0 | 114.4 | Q292 | Q292-S294 VanDerWaalsContact C-N 3.25Å; Q292-S294 PolarHBondContact O-N 2.76Å; Q292-S294 VanDerWaalsContact O-N 3.09Å |
| 295 | D | 89.2 | Confident | 89.5 | Confident | 3 Ų | 3 | 52.8 Ų | 52.8 | 2% | 0.016 | 28% | 0.281 | C | S | . | . | trans | -123.8 | 122.4 | -153.6 | -76 | -88.2 | 0 | 0 | 0 | 113.9 | K274 Q292 H313 S315 | K274-D295 WeakPolarHBondContact CA-O 3.41Å; K274-D295 WeakPolarHBondContact CB-O 3.38Å; K274-D295 WeakPolarHBondContact CG-O 3.48Å; Q292-D295 HydrophobicContact CB-CB 4.32Å; Q292-D295 HydrophobicContact CG-CB 3.95Å; Q292-D295 VanDerWaalsContact NE2-CG 3.34Å; Q292-D295 PolarHBondContact NE2-OD2 3.25Å; Q292-D295 PolarHBondContact O-N 2.88Å; Q292-D295 VanDerWaalsContact O-N 3.14Å; D295-H313 HydrophobicContact CB-CB 4.09Å; D295-H313 IonicContact OD1-CE1 3.28Å; D295-H313 IonicContact OD1-CG 3.66Å; D295-H313 IonicContact OD1-ND1 2.7Å; D295-H313 PolarHBondContact OD1-ND1 3.16Å; D295-S315 VanDerWaalsContact CG-OG 3.27Å; D295-S315 WeakPolarHBondContact OD1-CB 3.42Å; D295-S315 PolarHBondContact OD1-N 3.38Å; D295-S315 PolarHBondContact OD1-OG 3.41Å; D295-S315 PolarHBondContact OD2-OG 3.12Å | ||
| 296 | R | 94.9 | Very high | 89.3 | Confident | 79 Ų | 79 | 52 Ų | 52 | 30% | 0.298 | 27% | 0.274 | S | S | . | . | trans | -76.3 | 142.2 | 162.5 | -63.8 | 178.3 | -74.6 | -175.4 | -11.5 | 110.1 | E272 K274 W298 H313 D314 | E272-R296 HydrophobicContact CB-CG 4.19Å; E272-R296 HydrophobicContact CG-CB 4.46Å; E272-R296 WeakPolarHBondContact OE2-CD 3.42Å; E272-R296 IonicContact OE2-CZ 2.86Å; E272-R296 IonicContact OE2-NE 3.38Å; E272-R296 IonicContact OE2-NH1 3.51Å; E272-R296 PolarHBondContact OE2-NH1 2.83Å; K274-R296 HydrophobicContact CG-CG 4.32Å; R296-W298 HydrophobicContact CB-CZ2 4.25Å; R296-W298 VanDerWaalsContact CZ-CZ2 3.45Å; R296-H313 CarbonylContact O-C 3.5Å; R296-H313 WeakPolarHBondContact O-CA 3.44Å; R296-H313 WeakPolarHBondContact O-CB 3.3Å; R296-D314 WeakPolarHBondContact CB-OD2 3.43Å; R296-D314 IonicContact CZ-OD2 3.61Å; R296-D314 PolarHBondContact N-OD2 3.22Å; R296-D314 IonicContact NE-OD2 3.76Å; R296-D314 PolarHBondContact NE-OD2 3.16Å; R296-D314 VanDerWaalsContact NE-OD2 3.13Å; R296-D314 IonicContact NH2-OD2 2.71Å; R296-D314 PolarHBondContact O-N 3.36Å; R296-D314 VanDerWaalsContact O-N 3.07Å | ||
| 297 | F | 96.4 | Very high | 89 | Confident | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 148.8 | 169.3 | -64.9 | -79.4 | 0 | 0 | 0 | 109.9 | S256 D270 S271 I276 F290 Q292 A311 G312 H313 I318 | S256-F297 PolarHBondContact OG-O 3.32Å; D270-F297 HydrophobicContact CB-CB 3.59Å; D270-F297 HydrophobicContact CB-CG 4.34Å; D270-F297 WeakPolarHBondContact OD2-CB 3.49Å; S271-F297 PolarHBondContact O-N 3.48Å; I276-F297 HydrophobicContact CD1-CD1 3.83Å; I276-F297 HydrophobicContact CD1-CD2 4.47Å; I276-F297 HydrophobicContact CD1-CE1 3.67Å; I276-F297 HydrophobicContact CD1-CE2 4.32Å; I276-F297 HydrophobicContact CD1-CG 4.26Å; I276-F297 HydrophobicContact CD1-CZ 3.94Å; I276-F297 HydrophobicContact CG1-CD1 3.99Å; I276-F297 HydrophobicContact CG1-CD2 3.89Å; I276-F297 HydrophobicContact CG1-CE1 4.14Å; I276-F297 HydrophobicContact CG1-CE2 4.03Å; I276-F297 HydrophobicContact CG1-CG 3.88Å; I276-F297 HydrophobicContact CG1-CZ 4.17Å; F290-F297 HydrophobicContact CD1-CZ 4.32Å; F290-F297 AromaticContact CE1-CZ 3.97Å; F290-F297 HydrophobicContact CE1-CZ 3.97Å; Q292-F297 HydrophobicContact CB-CE2 4.19Å; Q292-F297 HydrophobicContact CB-CZ 4.02Å; F297-A311 HydrophobicContact CD1-CB 3.78Å; F297-A311 HydrophobicContact CE1-CB 4.14Å; F297-G312 WeakPolarHBondContact CA-O 3.47Å; F297-H313 HydrophobicContact CD1-CB 3.68Å; F297-H313 HydrophobicContact CE1-CB 3.78Å; F297-H313 AromaticContact CE1-CD2 3.95Å; F297-H313 HydrophobicContact CG-CB 4.39Å; F297-I318 HydrophobicContact CE1-CD1 3.66Å; F297-I318 HydrophobicContact CE1-CG1 4.2Å; F297-I318 HydrophobicContact CZ-CD1 4.01Å |
| 298 | W | 96.2 | Very high | 89.3 | Confident | 38 Ų | 38 | 46.7 Ų | 46.7 | 14% | 0.144 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | -21.2 | -169 | -65.5 | 111 | 0 | 0 | 0 | 114.6 | R11 K13 D270 E272 R296 G312 D314 | R11-W298 HydrophobicContact CG-CG 4.44Å; K13-W298 HydrophobicContact CD-CB 4.18Å; K13-W298 HydrophobicContact CD-CG 4.23Å; D270-W298 PolarHBondContact OD2-N 3.43Å; E272-W298 HydrophobicContact CG-CE3 4.48Å; E272-W298 HydrophobicContact CG-CH2 4.36Å; E272-W298 HydrophobicContact CG-CZ3 4.04Å; E272-W298 WeakPolarHBondContact OE1-CZ3 3.44Å; R296-W298 HydrophobicContact CB-CZ2 4.25Å; R296-W298 VanDerWaalsContact CZ-CZ2 3.45Å; W298-G312 PolarHBondContact N-O 3.29Å; W298-D314 PolarHBondContact NE1-OD1 3.09Å |
| 299 | V | 96.8 | Very high | 89.9 | Confident | 8 Ų | 8 | 44.6 Ų | 44.6 | 5% | 0.048 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -161.7 | 134.4 | -173.8 | 61.6 | 0 | 0 | 0 | 0 | 109.2 | V12 L15 W213 D270 A311 G312 | V12-V299 HydrophobicContact CG1-CG1 4.42Å; L15-V299 HydrophobicContact CD1-CG1 4.18Å; L15-V299 HydrophobicContact CG-CG1 4.1Å; W213-V299 HydrophobicContact CH2-CG2 4.45Å; D270-V299 PolarHBondContact OD2-N 2.69Å; V299-A311 CarbonylContact O-C 3.52Å; V299-A311 VanDerWaalsContact O-CA 3.3Å; V299-A311 WeakPolarHBondContact O-CA 3.17Å; V299-G312 PolarHBondContact O-N 3.41Å |
| 300 | L | 96.1 | Very high | 90.2 | Very high | 5 Ų | 5 | 41.6 Ų | 41.6 | 3% | 0.026 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 137.3 | 177.7 | -164.8 | 72.4 | 0 | 0 | 0 | 109.7 | C257 L259 L268 A310 A311 F320 | C257-L300 HydrophobicContact CB-CB 4.04Å; C257-L300 PolarHBondContact SG-O 3.24Å; L259-L300 HydrophobicContact CD2-CB 4.03Å; L259-L300 HydrophobicContact CD2-CD2 3.73Å; L259-L300 HydrophobicContact CD2-CG 3.66Å; L259-L300 HydrophobicContact CG-CD2 3.9Å; L259-L300 HydrophobicContact CG-CG 4.39Å; L268-L300 HydrophobicContact CB-CD2 3.57Å; L268-L300 HydrophobicContact CD2-CD2 4.44Å; L300-A310 WeakPolarHBondContact CA-O 3.41Å; L300-A311 HydrophobicContact CD1-CB 3.63Å; L300-F320 HydrophobicContact CD1-CE1 4.2Å; L300-F320 HydrophobicContact CD1-CZ 4.06Å |
| 301 | T | 95.4 | Very high | 90.5 | Very high | 28 Ų | 28 | 39.7 Ų | 39.7 | 17% | 0.172 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.3 | 150 | 178 | -168.4 | 0 | 0 | 0 | 0 | 111.7 | L15 F17 F309 A310 | L15-T301 HydrophobicContact CB-CG2 3.52Å; L15-T301 HydrophobicContact CD1-CG2 4.4Å; F17-T301 HydrophobicContact CD2-CG2 3.91Å; F17-T301 HydrophobicContact CE2-CG2 3.95Å; T301-F309 CarbonylContact O-C 3.54Å; T301-F309 VanDerWaalsContact O-CA 3.32Å; T301-F309 WeakPolarHBondContact O-CA 3.45Å; T301-A310 HydrophobicContact CG2-CB 3.88Å; T301-A310 PolarHBondContact N-O 3.22Å; T301-A310 PolarHBondContact O-N 2.8Å |
| 302 | S | 93.8 | Very high | 90.9 | Very high | 36 Ų | 36 | 33 Ų | 33 | 25% | 0.252 | 18% | 0.181 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 144.5 | 178.7 | 63.7 | 0 | 0 | 0 | 0 | 110.9 | ||
| 303 | H | 91.8 | Very high | 91.4 | Very high | 3 Ų | 3 | 31.9 Ų | 31.9 | 1% | 0.014 | 18% | 0.176 | C | C | . | . | trans | -74.6 | 132.3 | 176.1 | -173 | -73.7 | 0 | 0 | 0 | 109.8 | F17 Y38 S305 L306 L308 | F17-H303 HydrophobicContact CD1-CB 4.43Å; F17-H303 AromaticContact CD1-CD2 3.64Å; F17-H303 HydrophobicContact CD2-CB 3.9Å; F17-H303 HydrophobicContact CE2-CB 4.1Å; F17-H303 HydrophobicContact CG-CB 4.06Å; F17-H303 AromaticContact CG-CD2 3.79Å; F17-H303 HydrophobicContact CZ-CB 4.44Å; Y38-H303 PolarHBondContact OH-CD2 3.37Å; Y38-H303 PolarHBondContact OH-NE2 3.17Å; H303-S305 PolarHBondContact CE1-OG 3.41Å; H303-S305 VanDerWaalsContact CE1-OG 3.24Å; H303-S305 PolarHBondContact ND1-N 3.16Å; H303-S305 PolarHBondContact ND1-OG 2.89Å; H303-S305 PolarHBondContact O-N 3.29Å; H303-L306 HydrophobicContact CB-CB 4.21Å; H303-L306 WeakPolarHBondContact ND1-CB 3.32Å; H303-L306 PolarHBondContact ND1-N 3.06Å; H303-L308 HydrophobicContact CB-CB 3.79Å; H303-L308 WeakPolarHBondContact CB-O 3.45Å; H303-L308 PolarHBondContact N-O 3.37Å | ||
| 304 | P | 84.9 | Confident | 92.1 | Very high | 88 Ų | 88 | 25.7 Ų | 25.7 | 57% | 0.571 | 15% | 0.148 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -54.2 | -34.1 | -173.2 | -29.6 | 35.3 | 0 | 0 | 0 | 115.3 | ||
| 305 | S | 82.1 | Confident | 92.5 | Very high | 55 Ų | 55 | 23.8 Ų | 23.8 | 39% | 0.385 | 13% | 0.134 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -128.7 | 3.4 | -171.8 | 61.6 | 0 | 0 | 0 | 0 | 116.5 | R263 H303 | R263-S305 PolarHBondContact NH2-O 3.18Å; H303-S305 PolarHBondContact CE1-OG 3.41Å; H303-S305 VanDerWaalsContact CE1-OG 3.24Å; H303-S305 PolarHBondContact ND1-N 3.16Å; H303-S305 PolarHBondContact ND1-OG 2.89Å; H303-S305 PolarHBondContact O-N 3.29Å |
| 306 | L | 82.6 | Confident | 92.8 | Very high | 55 Ų | 55 | 23.6 Ų | 23.6 | 29% | 0.288 | 13% | 0.134 | S | C | . | . | S | Bend | trans | -130.4 | 153.8 | -174.3 | -63.4 | 177.2 | 0 | 0 | 0 | 110.7 | H303 L308 | H303-L306 HydrophobicContact CB-CB 4.21Å; H303-L306 WeakPolarHBondContact ND1-CB 3.32Å; H303-L306 PolarHBondContact ND1-N 3.06Å; L306-L308 HydrophobicContact CB-CB 4.37Å; L306-L308 HydrophobicContact CB-CD1 4.17Å; L306-L308 HydrophobicContact CB-CG 4.15Å; L306-L308 HydrophobicContact CD1-CD1 3.82Å; L306-L308 PolarHBondContact O-N 3.3Å |
| 307 | N | 82.6 | Confident | 92.8 | Very high | 8 Ų | 8 | 19.9 Ų | 19.9 | 4% | 0.043 | 12% | 0.119 | C | C | . | . | S | Bend | trans | -75.1 | 73.5 | 166.1 | -170.9 | -30.7 | 0 | 0 | 0 | 108.3 | K321 I322 E323 E325 | N307-K321 WeakPolarHBondContact O-CB 3.41Å; N307-I322 PolarHBondContact OD1-N 2.97Å; N307-E323 PolarHBondContact ND2-OE2 3.07Å; N307-E325 HydrophobicContact CB-CG 4.49Å |
| 308 | L | 90.3 | Very high | 92.7 | Very high | 8 Ų | 8 | 19.9 Ų | 19.9 | 4% | 0.042 | 12% | 0.119 | C | C | . | . | trans | -139.5 | 135.8 | 175.8 | -71.9 | 176.7 | 0 | 0 | 0 | 108.5 | K4 F17 Y38 H303 L306 I319 F320 K321 | K4-L308 HydrophobicContact CD-CD2 4.44Å; K4-L308 HydrophobicContact CG-CD2 3.92Å; F17-L308 HydrophobicContact CZ-CB 4.25Å; Y38-L308 HydrophobicContact CE2-CD1 3.75Å; H303-L308 HydrophobicContact CB-CB 3.79Å; H303-L308 WeakPolarHBondContact CB-O 3.45Å; H303-L308 PolarHBondContact N-O 3.37Å; L306-L308 HydrophobicContact CB-CB 4.37Å; L306-L308 HydrophobicContact CB-CD1 4.17Å; L306-L308 HydrophobicContact CB-CG 4.15Å; L306-L308 HydrophobicContact CD1-CD1 3.82Å; L306-L308 PolarHBondContact O-N 3.3Å; L308-I319 HydrophobicContact CD2-CG2 4.37Å; L308-F320 WeakPolarHBondContact CA-O 3.24Å; L308-K321 HydrophobicContact CD2-CB 4.4Å | ||
| 309 | F | 94.7 | Very high | 92.7 | Very high | 1 Ų | 1 | 18 Ų | 18 | 0% | 0.004 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 150.9 | 177.5 | -60.9 | -87.5 | 0 | 0 | 0 | 108.1 | L259 H261 L268 T301 I319 F320 I322 | L259-F309 HydrophobicContact CD1-CD1 4.17Å; L259-F309 HydrophobicContact CD1-CE1 3.89Å; H261-F309 HydrophobicContact CB-CZ 4.44Å; H261-F309 AromaticContact CD2-CE2 3.93Å; H261-F309 AromaticContact CD2-CZ 3.46Å; H261-F309 VanDerWaalsContact CD2-CZ 3.46Å; H261-F309 WeakPolarHBondContact CD2-CZ 3.26Å; H261-F309 AromaticContact CG-CZ 3.79Å; H261-F309 AromaticContact NE2-CE2 3.78Å; H261-F309 AromaticContact NE2-CZ 3.62Å; L268-F309 HydrophobicContact CD1-CD1 4.46Å; L268-F309 HydrophobicContact CD1-CE1 3.9Å; L268-F309 HydrophobicContact CD1-CZ 4.09Å; L268-F309 HydrophobicContact CD2-CB 4.45Å; L268-F309 HydrophobicContact CD2-CD1 3.75Å; L268-F309 HydrophobicContact CD2-CD2 4.22Å; L268-F309 HydrophobicContact CD2-CE1 4.01Å; L268-F309 HydrophobicContact CD2-CE2 4.47Å; L268-F309 HydrophobicContact CD2-CG 3.87Å; L268-F309 HydrophobicContact CD2-CZ 4.37Å; T301-F309 CarbonylContact O-C 3.54Å; T301-F309 VanDerWaalsContact O-CA 3.32Å; T301-F309 WeakPolarHBondContact O-CA 3.45Å; F309-I319 CarbonylContact O-C 3.59Å; F309-I319 WeakPolarHBondContact O-CA 3.4Å; F309-F320 HydrophobicContact CB-CD1 4.26Å; F309-F320 HydrophobicContact CB-CD2 4.08Å; F309-F320 HydrophobicContact CB-CE1 3.8Å; F309-F320 HydrophobicContact CB-CE2 3.62Å; F309-F320 HydrophobicContact CB-CG 4.4Å; F309-F320 HydrophobicContact CB-CZ 3.48Å; F309-F320 VanDerWaalsContact CB-CZ 3.48Å; F309-F320 HydrophobicContact CD2-CE2 4.32Å; F309-F320 HydrophobicContact CG-CE2 4.2Å; F309-F320 HydrophobicContact CG-CZ 4.37Å; F309-F320 PolarHBondContact N-O 3.04Å; F309-F320 WeakPolarHBondContact O-CD1 3.47Å; F309-F320 PolarHBondContact O-N 3.27Å; F309-I322 HydrophobicContact CD2-CD1 4.3Å; F309-I322 HydrophobicContact CD2-CG1 4.13Å; F309-I322 HydrophobicContact CE2-CD1 3.78Å; F309-I322 HydrophobicContact CE2-CG1 3.94Å; F309-I322 HydrophobicContact CZ-CD1 4.22Å |
| 310 | A | 96.5 | Very high | 92.4 | Very high | 0 Ų | 0 | 17.8 Ų | 17.8 | 0% | 0 | 11% | 0.111 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 139.9 | 174.3 | 0 | 0 | 0 | 0 | 0 | 110.3 | L15 F17 I24 L300 T301 I318 I319 | L15-A310 HydrophobicContact CD1-CB 3.85Å; F17-A310 HydrophobicContact CE2-CB 3.77Å; F17-A310 HydrophobicContact CZ-CB 3.67Å; I24-A310 HydrophobicContact CD1-CB 3.38Å; L300-A310 WeakPolarHBondContact CA-O 3.41Å; T301-A310 HydrophobicContact CG2-CB 3.88Å; T301-A310 PolarHBondContact N-O 3.22Å; T301-A310 PolarHBondContact O-N 2.8Å; A310-I318 CarbonylContact C-O 3.55Å; A310-I318 VanDerWaalsContact CA-O 3.24Å; A310-I318 WeakPolarHBondContact CA-O 3.44Å; A310-I319 HydrophobicContact CB-CG1 3.89Å |
| 311 | A | 96.5 | Very high | 92 | Very high | 0 Ų | 0 | 18.7 Ų | 18.7 | 0% | 0 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 133 | 176.5 | 0 | 0 | 0 | 0 | 0 | 110.3 | L15 I276 F297 V299 L300 M317 I318 F320 | L15-A311 VanDerWaalsContact CD1-C 3.4Å; I276-A311 HydrophobicContact CD1-CB 3.44Å; I276-A311 VanDerWaalsContact CD1-CB 3.44Å; I276-A311 HydrophobicContact CG1-CB 4.38Å; F297-A311 HydrophobicContact CD1-CB 3.78Å; F297-A311 HydrophobicContact CE1-CB 4.14Å; V299-A311 CarbonylContact O-C 3.52Å; V299-A311 VanDerWaalsContact O-CA 3.3Å; V299-A311 WeakPolarHBondContact O-CA 3.17Å; L300-A311 HydrophobicContact CD1-CB 3.63Å; A311-M317 WeakPolarHBondContact O-CA 3.26Å; A311-I318 HydrophobicContact CB-CG1 3.99Å; A311-I318 PolarHBondContact N-O 2.97Å; A311-I318 PolarHBondContact O-N 3.41Å; A311-F320 HydrophobicContact CB-CE1 4.17Å |
| 312 | G | 96.6 | Very high | 91.3 | Very high | 0 Ų | 0 | 18.3 Ų | 18.3 | 0% | 0 | 11% | 0.111 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 138.2 | 174.1 | 0 | 0 | 0 | 0 | 0 | 110.1 | L15 F297 W298 V299 | L15-G312 VanDerWaalsContact CD1-N 3.26Å; F297-G312 WeakPolarHBondContact CA-O 3.47Å; W298-G312 PolarHBondContact N-O 3.29Å; V299-G312 PolarHBondContact O-N 3.41Å |
| 313 | H | 96.2 | Very high | 90.4 | Very high | 3 Ų | 3 | 20.1 Ų | 20.1 | 1% | 0.014 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.2 | 175 | -175.7 | 60.8 | 90 | 0 | 0 | 0 | 112.6 | R11 V12 D295 R296 F297 S315 G316 M317 | R11-H313 WeakPolarHBondContact CA-O 3.35Å; V12-H313 PolarHBondContact N-O 3.05Å; V12-H313 VanDerWaalsContact N-O 3.15Å; D295-H313 HydrophobicContact CB-CB 4.09Å; D295-H313 IonicContact OD1-CE1 3.28Å; D295-H313 IonicContact OD1-CG 3.66Å; D295-H313 IonicContact OD1-ND1 2.7Å; D295-H313 PolarHBondContact OD1-ND1 3.16Å; R296-H313 CarbonylContact O-C 3.5Å; R296-H313 WeakPolarHBondContact O-CA 3.44Å; R296-H313 WeakPolarHBondContact O-CB 3.3Å; F297-H313 HydrophobicContact CD1-CB 3.68Å; F297-H313 HydrophobicContact CE1-CB 3.78Å; F297-H313 AromaticContact CE1-CD2 3.95Å; F297-H313 HydrophobicContact CG-CB 4.39Å; H313-S315 VanDerWaalsContact C-N 3.32Å; H313-S315 PolarHBondContact CE1-OG 3.47Å; H313-S315 VanDerWaalsContact CE1-OG 3.29Å; H313-S315 PolarHBondContact ND1-N 3.36Å; H313-S315 PolarHBondContact ND1-OG 3.34Å; H313-S315 PolarHBondContact O-N 2.92Å; H313-G316 PolarHBondContact CD2-O 2.95Å; H313-G316 PolarHBondContact CE1-N 2.98Å; H313-G316 PolarHBondContact N-O 2.89Å; H313-G316 PolarHBondContact ND1-N 2.92Å; H313-G316 PolarHBondContact O-N 3.25Å; H313-M317 PolarHBondContact NE2-N 2.95Å |
| 314 | D | 95.2 | Very high | 89.6 | Confident | 37 Ų | 37 | 22.4 Ų | 22.4 | 20% | 0.198 | 12% | 0.124 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -53.4 | -41 | -175.9 | -83.1 | -38.8 | 0 | 0 | 0 | 114 | R11 R296 W298 | R11-D314 WeakPolarHBondContact CA-O 3.29Å; R11-D314 IonicContact CZ-OD1 2.71Å; R11-D314 PolarHBondContact N-O 2.9Å; R11-D314 IonicContact NE-OD1 3.17Å; R11-D314 PolarHBondContact NE-OD1 2.85Å; R11-D314 IonicContact NH2-OD1 2.82Å; R11-D314 PolarHBondContact NH2-OD1 3.02Å; R296-D314 WeakPolarHBondContact CB-OD2 3.43Å; R296-D314 IonicContact CZ-OD2 3.61Å; R296-D314 PolarHBondContact N-OD2 3.22Å; R296-D314 IonicContact NE-OD2 3.76Å; R296-D314 PolarHBondContact NE-OD2 3.16Å; R296-D314 VanDerWaalsContact NE-OD2 3.13Å; R296-D314 IonicContact NH2-OD2 2.71Å; R296-D314 PolarHBondContact O-N 3.36Å; R296-D314 VanDerWaalsContact O-N 3.07Å; W298-D314 PolarHBondContact NE1-OD1 3.09Å |
| 315 | S | 94.3 | Very high | 89.3 | Confident | 44 Ų | 44 | 20 Ų | 20 | 31% | 0.308 | 11% | 0.106 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -100.2 | 8.5 | 178.8 | 66.9 | 0 | 0 | 0 | 0 | 116.1 | K8 S9 D295 H313 | K8-S315 VanDerWaalsContact CA-O 3.29Å; K8-S315 WeakPolarHBondContact CA-O 3.32Å; S9-S315 PolarHBondContact N-O 3.32Å; S9-S315 CarbonylContact O-C 3.43Å; D295-S315 VanDerWaalsContact CG-OG 3.27Å; D295-S315 WeakPolarHBondContact OD1-CB 3.42Å; D295-S315 PolarHBondContact OD1-N 3.38Å; D295-S315 PolarHBondContact OD1-OG 3.41Å; D295-S315 PolarHBondContact OD2-OG 3.12Å; H313-S315 VanDerWaalsContact C-N 3.32Å; H313-S315 PolarHBondContact CE1-OG 3.47Å; H313-S315 VanDerWaalsContact CE1-OG 3.29Å; H313-S315 PolarHBondContact ND1-N 3.36Å; H313-S315 PolarHBondContact ND1-OG 3.34Å; H313-S315 PolarHBondContact O-N 2.92Å |
| 316 | G | 94.7 | Very high | 89.3 | Confident | 0 Ų | 0 | 19 Ų | 19 | 0% | 0 | 9% | 0.093 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 146.3 | -135.7 | 175.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | S7 S9 V12 H313 | S7-G316 WeakPolarHBondContact O-CA 3.46Å; S9-G316 WeakPolarHBondContact OG-CA 3.16Å; V12-G316 WeakPolarHBondContact CB-O 3.45Å; V12-G316 VanDerWaalsContact CG2-C 3.47Å; V12-G316 WeakPolarHBondContact CG2-O 3.39Å; H313-G316 PolarHBondContact CD2-O 2.95Å; H313-G316 PolarHBondContact CE1-N 2.98Å; H313-G316 PolarHBondContact N-O 2.89Å; H313-G316 PolarHBondContact ND1-N 2.92Å; H313-G316 PolarHBondContact O-N 3.25Å |
| 317 | M | 95.2 | Very high | 89.5 | Confident | 0 Ų | 0 | 16.9 Ų | 16.9 | 0% | 0 | 8% | 0.083 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.8 | 150.9 | 177.1 | 57.1 | 156.3 | 161.7 | 0 | 0 | 113.8 | F5 E6 S7 V12 L15 I24 A26 W36 A311 H313 | F5-M317 HydrophobicContact CE1-CE 4Å; F5-M317 HydrophobicContact CE1-SD 4.47Å; E6-M317 WeakPolarHBondContact CA-O 3.35Å; S7-M317 PolarHBondContact N-O 3.28Å; S7-M317 PolarHBondContact O-N 3.28Å; V12-M317 HydrophobicContact CG2-CB 4.13Å; V12-M317 HydrophobicContact CG2-CG 4.48Å; L15-M317 HydrophobicContact CD2-CB 4.25Å; L15-M317 HydrophobicContact CD2-SD 3.73Å; I24-M317 HydrophobicContact CD1-SD 4.25Å; I24-M317 HydrophobicContact CG2-CE 3.88Å; I24-M317 HydrophobicContact CG2-SD 4.04Å; A26-M317 HydrophobicContact CB-CE 3.74Å; A26-M317 HydrophobicContact CB-SD 4Å; W36-M317 HydrophobicContact CB-CE 4.18Å; W36-M317 HydrophobicContact CD2-CE 4.3Å; W36-M317 HydrophobicContact CG-CE 3.67Å; A311-M317 WeakPolarHBondContact O-CA 3.26Å; H313-M317 PolarHBondContact NE2-N 2.95Å |
| 318 | I | 94.9 | Very high | 89.8 | Confident | 0 Ų | 0 | 16.9 Ų | 16.9 | 0% | 0 | 8% | 0.083 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 135.4 | 171.8 | 54.3 | 179.8 | 0 | 0 | 0 | 111.2 | M1 E6 I276 F290 F297 A310 A311 | M1-I318 HydrophobicContact CE-CD1 3.61Å; M1-I318 HydrophobicContact CE-CG1 4.45Å; E6-I318 HydrophobicContact CB-CG2 4.07Å; E6-I318 HydrophobicContact CG-CG2 3.67Å; I276-I318 HydrophobicContact CD1-CD1 3.94Å; F290-I318 HydrophobicContact CD1-CD1 4.47Å; F290-I318 HydrophobicContact CE1-CD1 3.74Å; F290-I318 HydrophobicContact CZ-CD1 4.41Å; F297-I318 HydrophobicContact CE1-CD1 3.66Å; F297-I318 HydrophobicContact CE1-CG1 4.2Å; F297-I318 HydrophobicContact CZ-CD1 4.01Å; A310-I318 CarbonylContact C-O 3.55Å; A310-I318 VanDerWaalsContact CA-O 3.24Å; A310-I318 WeakPolarHBondContact CA-O 3.44Å; A311-I318 HydrophobicContact CB-CG1 3.99Å; A311-I318 PolarHBondContact N-O 2.97Å; A311-I318 PolarHBondContact O-N 3.41Å |
| 319 | I | 94.7 | Very high | 89.8 | Confident | 0 Ų | 0 | 18.5 Ų | 18.5 | 0% | 0 | 9% | 0.09 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 132.4 | 169.3 | -57.6 | 177.9 | 0 | 0 | 0 | 108.4 | K4 F5 F17 I24 Y38 L308 F309 A310 | K4-I319 HydrophobicContact CB-CG2 4.24Å; K4-I319 WeakPolarHBondContact CB-O 3.31Å; K4-I319 PolarHBondContact N-O 3.43Å; F5-I319 HydrophobicContact CB-CB 4.25Å; F5-I319 HydrophobicContact CB-CD1 4.41Å; F5-I319 HydrophobicContact CD1-CD1 3.67Å; F5-I319 HydrophobicContact CD1-CG1 4.03Å; F5-I319 HydrophobicContact CE1-CD1 4.46Å; F5-I319 HydrophobicContact CG-CD1 4.43Å; F5-I319 PolarHBondContact N-O 3.4Å; F5-I319 PolarHBondContact O-N 3.13Å; F17-I319 HydrophobicContact CE1-CD1 4.28Å; F17-I319 HydrophobicContact CE1-CG2 4.35Å; F17-I319 HydrophobicContact CZ-CG2 4.11Å; I24-I319 HydrophobicContact CB-CD1 4.38Å; I24-I319 HydrophobicContact CD1-CD1 3.88Å; I24-I319 HydrophobicContact CD1-CG1 4.15Å; I24-I319 HydrophobicContact CG2-CD1 3.94Å; Y38-I319 VanDerWaalsContact CB-CD1 3.4Å; Y38-I319 HydrophobicContact CD1-CD1 3.81Å; Y38-I319 HydrophobicContact CG-CD1 3.71Å; L308-I319 HydrophobicContact CD2-CG2 4.37Å; F309-I319 CarbonylContact O-C 3.59Å; F309-I319 WeakPolarHBondContact O-CA 3.4Å; A310-I319 HydrophobicContact CB-CG1 3.89Å |
| 320 | F | 91.9 | Very high | 89.6 | Confident | 3 Ų | 3 | 19.2 Ų | 19.2 | 1% | 0.013 | 10% | 0.096 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.6 | 173.5 | -174 | 63.2 | -84.1 | 0 | 0 | 0 | 111.6 | M1 L2 L268 I276 L300 L308 F309 A311 | M1-F320 HydrophobicContact CE-CB 3.79Å; M1-F320 HydrophobicContact CE-CD1 3.25Å; M1-F320 HydrophobicContact CE-CD2 3.67Å; M1-F320 HydrophobicContact CE-CE1 3.56Å; M1-F320 HydrophobicContact CE-CE2 3.94Å; M1-F320 HydrophobicContact CE-CG 3.29Å; M1-F320 HydrophobicContact CE-CZ 3.88Å; M1-F320 HydrophobicContact CG-CB 3.8Å; M1-F320 HydrophobicContact CG-CD2 3.53Å; M1-F320 HydrophobicContact CG-CE2 4.22Å; M1-F320 HydrophobicContact CG-CG 3.8Å; M1-F320 HydrophobicContact SD-CB 4.47Å; M1-F320 HydrophobicContact SD-CD2 4.41Å; M1-F320 HydrophobicContact SD-CG 4.33Å; L2-F320 WeakPolarHBondContact O-CA 3.13Å; L268-F320 HydrophobicContact CD2-CE2 4.04Å; L268-F320 HydrophobicContact CD2-CZ 4.19Å; I276-F320 HydrophobicContact CD1-CE1 4.17Å; I276-F320 HydrophobicContact CD1-CZ 4.39Å; I276-F320 HydrophobicContact CG2-CZ 4.22Å; L300-F320 HydrophobicContact CD1-CE1 4.2Å; L300-F320 HydrophobicContact CD1-CZ 4.06Å; L308-F320 WeakPolarHBondContact CA-O 3.24Å; F309-F320 HydrophobicContact CB-CD1 4.26Å; F309-F320 HydrophobicContact CB-CD2 4.08Å; F309-F320 HydrophobicContact CB-CE1 3.8Å; F309-F320 HydrophobicContact CB-CE2 3.62Å; F309-F320 HydrophobicContact CB-CG 4.4Å; F309-F320 HydrophobicContact CB-CZ 3.48Å; F309-F320 VanDerWaalsContact CB-CZ 3.48Å; F309-F320 HydrophobicContact CD2-CE2 4.32Å; F309-F320 HydrophobicContact CG-CE2 4.2Å; F309-F320 HydrophobicContact CG-CZ 4.37Å; F309-F320 PolarHBondContact N-O 3.04Å; F309-F320 WeakPolarHBondContact O-CD1 3.47Å; F309-F320 PolarHBondContact O-N 3.27Å; A311-F320 HydrophobicContact CB-CE1 4.17Å |
| 321 | K | 86.5 | Confident | 89.2 | Confident | 23 Ų | 23 | 22 Ų | 22 | 10% | 0.1 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 156.8 | 166.5 | 64.2 | 178.8 | -175.9 | 125.5 | 0 | 110.2 | L2 N307 L308 E323 | L2-K321 HydrophobicContact CB-CG 3.78Å; L2-K321 HydrophobicContact CD1-CG 4.23Å; L2-K321 PolarHBondContact N-O 3.16Å; L2-K321 PolarHBondContact O-N 3.47Å; L2-K321 VanDerWaalsContact O-N 3.1Å; N307-K321 WeakPolarHBondContact O-CB 3.41Å; L308-K321 HydrophobicContact CD2-CB 4.4Å; K321-E323 WeakPolarHBondContact CD-O 3.47Å; K321-E323 WeakPolarHBondContact CE-O 3.32Å; K321-E323 PolarHBondContact NZ-O 3.43Å |
| 322 | I | 81.4 | Confident | 88.7 | Confident | 20 Ų | 20 | 25.7 Ų | 25.7 | 10% | 0.103 | 13% | 0.127 | C | C | . | . | S | Bend | trans | -82.9 | -47.8 | 179.4 | -57.2 | 175.8 | 0 | 0 | 0 | 109.6 | L266 L268 V278 N307 F309 | L266-I322 HydrophobicContact CD1-CD1 4.32Å; L268-I322 HydrophobicContact CD1-CD1 3.84Å; L268-I322 HydrophobicContact CD2-CD1 3.83Å; L268-I322 HydrophobicContact CD2-CG1 4.46Å; L268-I322 HydrophobicContact CG-CD1 4.08Å; V278-I322 HydrophobicContact CG1-CD1 4.32Å; V278-I322 HydrophobicContact CG2-CD1 4.43Å; N307-I322 PolarHBondContact OD1-N 2.97Å; F309-I322 HydrophobicContact CD2-CD1 4.3Å; F309-I322 HydrophobicContact CD2-CG1 4.13Å; F309-I322 HydrophobicContact CE2-CD1 3.78Å; F309-I322 HydrophobicContact CE2-CG1 3.94Å; F309-I322 HydrophobicContact CZ-CD1 4.22Å |
| 323 | E | 74.4 | Confident | 88.1 | Confident | 74 Ų | 74 | 34.6 Ų | 34.6 | 35% | 0.346 | 16% | 0.161 | S | C | . | . | S | Bend | trans | -112.7 | 173.6 | -165.6 | -54.3 | -174 | 136.3 | 0 | 0 | 114.8 | N307 K321 | N307-E323 PolarHBondContact ND2-OE2 3.07Å; K321-E323 WeakPolarHBondContact CD-O 3.47Å; K321-E323 WeakPolarHBondContact CE-O 3.32Å; K321-E323 PolarHBondContact NZ-O 3.43Å |
| 324 | R | 75.8 | Confident | 87.5 | Confident | 52 Ų | 52 | 37.8 Ų | 37.8 | 20% | 0.196 | 18% | 0.178 | C | C | . | . | trans | -104.8 | 89.9 | 178.5 | -172.3 | -171.4 | 137.8 | -177.7 | -13.7 | 112.2 | R326 F369 | R324-R326 HydrophobicContact CG-CB 4.3Å; R324-R326 PolarHBondContact O-N 2.97Å; R324-F369 VanDerWaalsContact NH1-CG 3.34Å; R324-F369 PolarHBondContact NH1-O 3.28Å; R324-F369 PolarHBondContact NH2-O 3.07Å | ||
| 325 | E | 77.6 | Confident | 87.2 | Confident | 38 Ų | 38 | 38.9 Ų | 38.9 | 18% | 0.178 | 18% | 0.181 | C | C | . | . | trans | -65.9 | 29.1 | 172.9 | -43.2 | 165.2 | 123.3 | 0 | 0 | 116.1 | N307 R590 | N307-E325 HydrophobicContact CB-CG 4.49Å; E325-R590 HydrophobicContact CB-CB 4.17Å; E325-R590 HydrophobicContact CB-CG 4.46Å; E325-R590 WeakPolarHBondContact O-CA 3.44Å; E325-R590 IonicContact OE1-NH1 3.42Å; E325-R590 WeakPolarHBondContact OE2-CD 3.24Å; E325-R590 IonicContact OE2-CZ 3.68Å; E325-R590 IonicContact OE2-NE 2.78Å; E325-R590 IonicContact OE2-NH1 3.81Å; E325-R590 PolarHBondContact OE2-NH1 3.45Å | ||
| 326 | R | 83.8 | Confident | 87 | Confident | 33 Ų | 33 | 36.8 Ų | 36.8 | 13% | 0.125 | 17% | 0.166 | C | C | . | . | P | Polyproline II helix | trans | -101.8 | 120.3 | 175.5 | 168.8 | 174.8 | -179.9 | 147.5 | 7.1 | 108.6 | R324 K538 Y576 | R324-R326 HydrophobicContact CG-CB 4.3Å; R324-R326 PolarHBondContact O-N 2.97Å; R326-K538 PolarHBondContact NH1-O 3.3Å; R326-Y576 HydrophobicContact CB-CE1 4.07Å; R326-Y576 HydrophobicContact CB-CE2 4.41Å; R326-Y576 HydrophobicContact CG-CD1 4.08Å; R326-Y576 HydrophobicContact CG-CE1 3.64Å; R326-Y576 HydrophobicContact CG-CE2 4.42Å |
| 327 | P | 86.8 | Confident | 86.7 | Confident | 11 Ų | 11 | 37.2 Ų | 37.2 | 7% | 0.071 | 17% | 0.168 | C | C | . | . | P | Polyproline II helix | trans | -59.9 | 140.7 | 173 | 27.9 | -35.6 | 0 | 0 | 0 | 110.4 | Y576 L588 G589 A592 | P327-Y576 HydrophobicContact CG-CD2 3.86Å; P327-Y576 HydrophobicContact CG-CE2 4.45Å; P327-Y576 HydrophobicContact CG-CG 4.29Å; P327-L588 HydrophobicContact CB-CB 4.5Å; P327-L588 HydrophobicContact CB-CD1 4.15Å; P327-L588 HydrophobicContact CG-CB 3.8Å; P327-L588 HydrophobicContact CG-CD1 4.15Å; P327-G589 WeakPolarHBondContact CG-O 3.49Å; P327-A592 HydrophobicContact CB-CB 3.98Å |
| 328 | V | 88.2 | Confident | 86.5 | Confident | 7 Ų | 7 | 37.3 Ų | 37.3 | 4% | 0.042 | 17% | 0.169 | C | C | . | . | P | Polyproline II helix | trans | -87.3 | 137.1 | 165.9 | -63.7 | 0 | 0 | 0 | 0 | 108.7 | Y338 M339 P368 F369 L371 | V328-Y338 VanDerWaalsContact O-CA 3.29Å; V328-Y338 WeakPolarHBondContact O-CA 3.48Å; V328-Y338 WeakPolarHBondContact O-CB 3.42Å; V328-M339 HydrophobicContact CG2-CB 3.68Å; V328-M339 HydrophobicContact CG2-CG 3.54Å; V328-M339 PolarHBondContact O-N 2.97Å; V328-P368 HydrophobicContact CG1-CB 4.31Å; V328-P368 HydrophobicContact CG1-CG 4.45Å; V328-P368 WeakPolarHBondContact CG1-O 3.36Å; V328-P368 HydrophobicContact CG2-CB 4.02Å; V328-P368 HydrophobicContact CG2-CG 3.63Å; V328-F369 VanDerWaalsContact CG1-C 3.46Å; V328-F369 WeakPolarHBondContact CG1-O 3.31Å; V328-L371 HydrophobicContact CB-CB 3.95Å; V328-L371 HydrophobicContact CG2-CB 4.06Å; V328-L371 HydrophobicContact CG2-CD1 4.17Å |
| 329 | F | 90.4 | Very high | 86 | Confident | 42 Ų | 42 | 38 Ų | 38 | 18% | 0.184 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.9 | 155.2 | 176.1 | 64.5 | -92.3 | 0 | 0 | 0 | 110.6 | V331 V336 Y337 T578 L588 | F329-V331 HydrophobicContact CD2-CG2 3.99Å; F329-V331 HydrophobicContact CE2-CG2 4.13Å; F329-V336 HydrophobicContact CB-CG1 3.98Å; F329-V336 HydrophobicContact CD2-CG1 4.47Å; F329-Y337 CarbonylContact C-O 3.43Å; F329-Y337 WeakPolarHBondContact CA-O 3.35Å; F329-T578 HydrophobicContact CD1-CG2 4.04Å; F329-T578 HydrophobicContact CD2-CG2 3.8Å; F329-T578 HydrophobicContact CE1-CG2 4.04Å; F329-T578 HydrophobicContact CE2-CG2 3.8Å; F329-T578 HydrophobicContact CG-CG2 3.92Å; F329-T578 HydrophobicContact CZ-CG2 3.92Å; F329-L588 HydrophobicContact CB-CD1 4.05Å; F329-L588 HydrophobicContact CD1-CD1 3.97Å; F329-L588 HydrophobicContact CG-CD1 4.21Å |
| 330 | A | 89.7 | Confident | 85.4 | Confident | 16 Ų | 16 | 40.9 Ų | 40.9 | 13% | 0.132 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 142.7 | 163.9 | 0 | 0 | 0 | 0 | 0 | 108.7 | V336 Y337 L371 | A330-V336 WeakPolarHBondContact O-CA 3.4Å; A330-Y337 PolarHBondContact N-O 3.39Å; A330-Y337 PolarHBondContact O-N 3.06Å; A330-L371 HydrophobicContact CB-CD2 3.4Å |
| 331 | V | 88 | Confident | 84.7 | Confident | 60 Ų | 60 | 48.5 Ų | 48.5 | 36% | 0.364 | 22% | 0.22 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 131.9 | 179.8 | -169.7 | 0 | 0 | 0 | 0 | 107.9 | F329 V336 L349 T578 F579 | F329-V331 HydrophobicContact CD2-CG2 3.99Å; F329-V331 HydrophobicContact CE2-CG2 4.13Å; V331-V336 HydrophobicContact CG1-CG2 4.22Å; V331-V336 HydrophobicContact CG2-CG2 4.18Å; V331-L349 HydrophobicContact CG1-CD1 4.41Å; V331-T578 WeakPolarHBondContact CG2-O 3.26Å; V331-F579 HydrophobicContact CG1-CD2 4.14Å |
| 332 | Y | 86.5 | Confident | 84.2 | Confident | 77 Ų | 77 | 52.3 Ų | 52.3 | 30% | 0.302 | 23% | 0.234 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.1 | 114.6 | 172.7 | 179.5 | -101.8 | 0 | 0 | 0 | 110.1 | N334 F335 Y373 P375 | Y332-N334 PolarHBondContact O-N 2.87Å; Y332-F335 PolarHBondContact N-O 3.35Å; Y332-F335 PolarHBondContact O-N 3.46Å; Y332-Y373 HydrophobicContact CD1-CD1 4.4Å; Y332-Y373 AromaticContact CD1-CE1 3.8Å; Y332-Y373 HydrophobicContact CD1-CE1 3.8Å; Y332-Y373 HydrophobicContact CE1-CE1 4.48Å; Y332-Y373 HydrophobicContact CG-CD1 4.03Å; Y332-Y373 AromaticContact CG-CE1 3.9Å; Y332-Y373 HydrophobicContact CG-CE1 3.9Å; Y332-P375 HydrophobicContact CD1-CB 4.31Å; Y332-P375 HydrophobicContact CD2-CB 4.38Å; Y332-P375 HydrophobicContact CD2-CG 4.24Å; Y332-P375 HydrophobicContact CE1-CB 3.74Å; Y332-P375 HydrophobicContact CE1-CG 4.45Å; Y332-P375 HydrophobicContact CE2-CB 3.84Å; Y332-P375 HydrophobicContact CE2-CG 3.63Å; Y332-P375 VanDerWaalsContact CZ-CB 3.47Å |
| 333 | R | 83.8 | Confident | 84.3 | Confident | 186 Ų | 186 | 52.7 Ų | 52.7 | 70% | 0.702 | 24% | 0.237 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 49.3 | -121.5 | -172.7 | -59.2 | -179.8 | 175.6 | -173.8 | -1.9 | 110 | F335 | R333-F335 VanDerWaalsContact C-N 3.31Å; R333-F335 PolarHBondContact O-N 2.86Å |
| 334 | N | 84.7 | Confident | 84.9 | Confident | 71 Ų | 71 | 49.4 Ų | 49.4 | 38% | 0.38 | 22% | 0.222 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -93 | 15.7 | -175 | -56.9 | -5.1 | 0 | 0 | 0 | 112.5 | Y332 L349 E350 | Y332-N334 PolarHBondContact O-N 2.87Å; N334-L349 WeakPolarHBondContact O-CB 3.4Å; N334-L349 WeakPolarHBondContact O-CG 3.36Å; N334-L349 PolarHBondContact O-N 2.88Å; N334-E350 HydrophobicContact CB-CG 4.38Å; N334-E350 PolarHBondContact ND2-OE1 3.48Å |
| 335 | F | 88.6 | Confident | 85.5 | Confident | 59 Ų | 59 | 49.9 Ų | 49.9 | 26% | 0.259 | 22% | 0.224 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 138.5 | 179.9 | -61.3 | -67.9 | 0 | 0 | 0 | 112.7 | Y332 R333 Y337 R346 L347 N348 | Y332-F335 PolarHBondContact N-O 3.35Å; Y332-F335 PolarHBondContact O-N 3.46Å; R333-F335 VanDerWaalsContact C-N 3.31Å; R333-F335 PolarHBondContact O-N 2.86Å; F335-Y337 HydrophobicContact CB-CE2 3.95Å; F335-R346 HydrophobicContact CB-CG 4.02Å; F335-R346 HydrophobicContact CD1-CG 3.68Å; F335-R346 HydrophobicContact CE1-CG 4.48Å; F335-R346 HydrophobicContact CG-CG 4.09Å; F335-L347 WeakPolarHBondContact CA-O 3.45Å; F335-N348 HydrophobicContact CD1-CB 4.06Å; F335-N348 HydrophobicContact CE1-CB 3.9Å |
| 336 | V | 88.7 | Confident | 86 | Confident | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 114.8 | 167.5 | 179.8 | 0 | 0 | 0 | 0 | 108.8 | F329 A330 V331 R346 L347 L349 T578 | F329-V336 HydrophobicContact CB-CG1 3.98Å; F329-V336 HydrophobicContact CD2-CG1 4.47Å; A330-V336 WeakPolarHBondContact O-CA 3.4Å; V331-V336 HydrophobicContact CG1-CG2 4.22Å; V331-V336 HydrophobicContact CG2-CG2 4.18Å; V336-R346 WeakPolarHBondContact O-CA 3.4Å; V336-L347 HydrophobicContact CB-CB 4.32Å; V336-L347 PolarHBondContact N-O 3.04Å; V336-L347 PolarHBondContact O-N 3.01Å; V336-L349 HydrophobicContact CG2-CD1 4.04Å; V336-L349 HydrophobicContact CG2-CD2 3.64Å; V336-L349 HydrophobicContact CG2-CG 4Å; V336-T578 HydrophobicContact CG1-CG2 4.19Å |
| 337 | Y | 89.8 | Confident | 86.2 | Confident | 10 Ų | 10 | 49 Ų | 49 | 4% | 0.039 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 123.2 | 171.1 | -65.6 | -89.6 | 0 | 0 | 0 | 108.5 | F329 A330 F335 R345 R346 Y373 L400 | F329-Y337 CarbonylContact C-O 3.43Å; F329-Y337 WeakPolarHBondContact CA-O 3.35Å; A330-Y337 PolarHBondContact N-O 3.39Å; A330-Y337 PolarHBondContact O-N 3.06Å; F335-Y337 HydrophobicContact CB-CE2 3.95Å; Y337-R345 CarbonylContact C-O 3.57Å; Y337-R345 WeakPolarHBondContact CA-O 3.44Å; Y337-R346 HydrophobicContact CD1-CB 4.15Å; Y337-R346 HydrophobicContact CD1-CG 4.33Å; Y337-R346 HydrophobicContact CE1-CB 4.04Å; Y337-R346 HydrophobicContact CE1-CG 3.92Å; Y337-Y373 HydrophobicContact CD2-CD1 4.17Å; Y337-Y373 HydrophobicContact CD2-CD2 4.45Å; Y337-Y373 HydrophobicContact CD2-CE1 4.49Å; Y337-Y373 HydrophobicContact CD2-CG 4.14Å; Y337-Y373 HydrophobicContact CE1-CE2 4.47Å; Y337-Y373 AromaticContact CE2-CD1 3.94Å; Y337-Y373 HydrophobicContact CE2-CD1 3.94Å; Y337-Y373 HydrophobicContact CE2-CD2 4.36Å; Y337-Y373 AromaticContact CE2-CE1 3.8Å; Y337-Y373 HydrophobicContact CE2-CE1 3.8Å; Y337-Y373 HydrophobicContact CE2-CE2 4.25Å; Y337-Y373 HydrophobicContact CE2-CG 4.21Å; Y337-Y373 AromaticContact CE2-CZ 3.97Å; Y337-Y373 AromaticContact CZ-CZ 3.95Å; Y337-L400 HydrophobicContact CD1-CD1 4.47Å; Y337-L400 HydrophobicContact CE1-CD1 4.18Å |
| 338 | Y | 89.8 | Confident | 86.2 | Confident | 2 Ų | 2 | 49.8 Ų | 49.8 | 1% | 0.008 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.1 | 159.1 | -178.8 | 71.1 | -78.5 | 0 | 0 | 0 | 111.9 | V328 K340 R345 L347 D354 L588 A592 | V328-Y338 VanDerWaalsContact O-CA 3.29Å; V328-Y338 WeakPolarHBondContact O-CA 3.48Å; V328-Y338 WeakPolarHBondContact O-CB 3.42Å; Y338-K340 HydrophobicContact CE2-CB 4.22Å; Y338-R345 HydrophobicContact CD1-CB 4.15Å; Y338-R345 HydrophobicContact CE1-CB 3.68Å; Y338-R345 HydrophobicContact CE2-CB 4.2Å; Y338-R345 PolarHBondContact N-O 2.91Å; Y338-R345 PolarHBondContact O-N 3.44Å; Y338-L347 HydrophobicContact CD1-CB 4.5Å; Y338-L347 HydrophobicContact CE1-CB 3.98Å; Y338-D354 PolarHBondContact OH-OD1 2.93Å; Y338-D354 VanDerWaalsContact OH-OD1 3.09Å; Y338-D354 PolarHBondContact OH-OD2 2.96Å; Y338-D354 VanDerWaalsContact OH-OD2 3.08Å; Y338-L588 HydrophobicContact CD2-CD1 4.41Å; Y338-L588 HydrophobicContact CD2-CD2 4.27Å; Y338-L588 HydrophobicContact CE2-CD2 4.3Å; Y338-L588 HydrophobicContact CG-CD1 4.23Å; Y338-L588 HydrophobicContact CG-CD2 4.48Å; Y338-A592 HydrophobicContact CD2-CB 4.12Å; Y338-A592 HydrophobicContact CE2-CB 4.22Å; Y338-A592 VanDerWaalsContact CE2-O 3.24Å; Y338-A592 WeakPolarHBondContact CE2-O 3.35Å |
| 339 | M | 86 | Confident | 85.9 | Confident | 13 Ų | 13 | 50.2 Ų | 50.2 | 6% | 0.064 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 128.6 | 177.6 | -63.9 | -63 | -52.4 | 0 | 0 | 110.9 | V328 R342 L344 L360 P368 L371 L382 | V328-M339 HydrophobicContact CG2-CB 3.68Å; V328-M339 HydrophobicContact CG2-CG 3.54Å; V328-M339 PolarHBondContact O-N 2.97Å; M339-R342 VanDerWaalsContact CE-C 3.42Å; M339-R342 WeakPolarHBondContact CE-O 3.46Å; M339-L344 HydrophobicContact CE-CB 4.42Å; M339-L344 VanDerWaalsContact SD-CA 3.53Å; M339-L344 HydrophobicContact SD-CB 3.67Å; M339-L344 HydrophobicContact SD-CD1 3.65Å; M339-L344 HydrophobicContact SD-CG 4.29Å; M339-L360 HydrophobicContact CE-CD1 3.41Å; M339-L360 VanDerWaalsContact CE-CD1 3.41Å; M339-L360 HydrophobicContact CE-CG 4.04Å; M339-L360 HydrophobicContact SD-CD1 4.34Å; M339-P368 HydrophobicContact CB-CG 4.22Å; M339-P368 HydrophobicContact CG-CG 4.11Å; M339-L371 HydrophobicContact CG-CD1 3.87Å; M339-L371 HydrophobicContact SD-CD1 4.4Å; M339-L382 HydrophobicContact CG-CD2 4.29Å; M339-L382 HydrophobicContact SD-CD2 4.43Å |
| 340 | K | 81.7 | Confident | 85.4 | Confident | 62 Ų | 62 | 55 Ų | 55 | 27% | 0.27 | 25% | 0.248 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 125.2 | 166.3 | -175.7 | -178.1 | 177.8 | -162.2 | 0 | 108.3 | Y338 R342 V343 A592 | Y338-K340 HydrophobicContact CE2-CB 4.22Å; K340-R342 VanDerWaalsContact C-N 3.25Å; K340-R342 PolarHBondContact O-N 3.3Å; K340-R342 VanDerWaalsContact O-N 3.12Å; K340-V343 PolarHBondContact N-O 3.33Å; K340-V343 WeakPolarHBondContact O-CA 3.46Å; K340-V343 WeakPolarHBondContact O-CB 3.27Å; K340-V343 PolarHBondContact O-N 3.18Å; K340-V343 VanDerWaalsContact O-O 3.06Å; K340-A592 HydrophobicContact CB-CB 4Å; K340-A592 HydrophobicContact CG-CB 4.15Å |
| 341 | E | 75.7 | Confident | 84.9 | Confident | 162 Ų | 162 | 58.9 Ų | 58.9 | 76% | 0.757 | 27% | 0.266 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.3 | 38.3 | 173.9 | -66.8 | 156 | -148.1 | 0 | 0 | 114.4 | V343 | E341-V343 PolarHBondContact O-N 3.33Š|
| 342 | R | 77.3 | Confident | 84.5 | Confident | 104 Ų | 104 | 59.2 Ų | 59.2 | 39% | 0.392 | 27% | 0.266 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 63.3 | 7.3 | -173.2 | -54.1 | -168 | -170.6 | 149 | 17.9 | 116.5 | M339 K340 L360 G362 A364 | M339-R342 VanDerWaalsContact CE-C 3.42Å; M339-R342 WeakPolarHBondContact CE-O 3.46Å; K340-R342 VanDerWaalsContact C-N 3.25Å; K340-R342 PolarHBondContact O-N 3.3Å; K340-R342 VanDerWaalsContact O-N 3.12Å; R342-L360 PolarHBondContact O-N 3.33Å; R342-G362 PolarHBondContact NH1-O 2.97Å; R342-A364 PolarHBondContact NE-O 3.4Å; R342-A364 PolarHBondContact NH2-O 3.42Å |
| 343 | V | 83.7 | Confident | 84.4 | Confident | 28 Ų | 28 | 62 Ų | 62 | 17% | 0.17 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 124.5 | 163.9 | -175 | 0 | 0 | 0 | 0 | 108.5 | K340 E341 R345 A356 A358 | K340-V343 PolarHBondContact N-O 3.33Å; K340-V343 WeakPolarHBondContact O-CA 3.46Å; K340-V343 WeakPolarHBondContact O-CB 3.27Å; K340-V343 PolarHBondContact O-N 3.18Å; K340-V343 VanDerWaalsContact O-O 3.06Å; E341-V343 PolarHBondContact O-N 3.33Å; V343-R345 HydrophobicContact CB-CG 4.44Å; V343-R345 HydrophobicContact CG1-CG 3.97Å; V343-A356 HydrophobicContact CG1-CB 3.7Å; V343-A358 CarbonylContact C-O 3.54Å; V343-A358 WeakPolarHBondContact CA-O 3.27Å |
| 344 | L | 86.3 | Confident | 84.5 | Confident | 5 Ų | 5 | 55.7 Ų | 55.7 | 3% | 0.026 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.8 | 127.2 | 164.9 | 178.5 | 74.5 | 0 | 0 | 0 | 108.4 | M339 V357 A358 L371 I380 L400 | M339-L344 HydrophobicContact CE-CB 4.42Å; M339-L344 VanDerWaalsContact SD-CA 3.53Å; M339-L344 HydrophobicContact SD-CB 3.67Å; M339-L344 HydrophobicContact SD-CD1 3.65Å; M339-L344 HydrophobicContact SD-CG 4.29Å; L344-V357 HydrophobicContact CD2-CB 4.16Å; L344-V357 HydrophobicContact CD2-CG1 4.13Å; L344-V357 HydrophobicContact CG-CB 4.41Å; L344-V357 PolarHBondContact O-N 2.98Å; L344-A358 HydrophobicContact CB-CB 4.24Å; L344-A358 HydrophobicContact CD2-CB 4.23Å; L344-A358 PolarHBondContact N-O 3.45Å; L344-A358 PolarHBondContact O-N 3.1Å; L344-L371 HydrophobicContact CD1-CD1 3.94Å; L344-I380 HydrophobicContact CD1-CD1 3.59Å; L344-I380 HydrophobicContact CD2-CD1 3.53Å; L344-I380 HydrophobicContact CG-CD1 4.2Å; L344-L400 HydrophobicContact CD2-CD1 4.02Å; L344-L400 HydrophobicContact CD2-CD2 3.34Å; L344-L400 HydrophobicContact CD2-CG 4.34Å |
| 345 | R | 87.6 | Confident | 84.5 | Confident | 61 Ų | 61 | 55 Ų | 55 | 23% | 0.23 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 146.9 | -178.9 | -57.4 | -173.1 | 71.7 | 91.3 | -2.5 | 110.3 | Y337 Y338 V343 D354 V355 | Y337-R345 CarbonylContact C-O 3.57Å; Y337-R345 WeakPolarHBondContact CA-O 3.44Å; Y338-R345 HydrophobicContact CD1-CB 4.15Å; Y338-R345 HydrophobicContact CE1-CB 3.68Å; Y338-R345 HydrophobicContact CE2-CB 4.2Å; Y338-R345 PolarHBondContact N-O 2.91Å; Y338-R345 PolarHBondContact O-N 3.44Å; V343-R345 HydrophobicContact CB-CG 4.44Å; V343-R345 HydrophobicContact CG1-CG 3.97Å; R345-D354 WeakPolarHBondContact CB-OD1 3.5Å; R345-D354 IonicContact CZ-OD1 3.89Å; R345-D354 IonicContact CZ-OD2 3.47Å; R345-D354 IonicContact NE-OD1 2.83Å; R345-D354 PolarHBondContact NE-OD1 3.35Å; R345-D354 IonicContact NE-OD2 2.85Å; R345-D354 PolarHBondContact NE-OD2 3.01Å; R345-D354 IonicContact NH2-OD1 3.6Å; R345-D354 PolarHBondContact NH2-OD1 3.37Å; R345-D354 IonicContact NH2-OD2 2.69Å; R345-D354 PolarHBondContact NH2-OD2 2.58Å; R345-V355 CarbonylContact C-O 3.54Å; R345-V355 VanDerWaalsContact CA-O 3.31Å; R345-V355 WeakPolarHBondContact CA-O 3.15Å |
| 346 | R | 89.1 | Confident | 84.4 | Confident | 51 Ų | 51 | 53.2 Ų | 53.2 | 19% | 0.192 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 110.2 | 176.3 | 179.3 | -178.5 | 69.3 | 173.9 | -0.3 | 108.1 | F335 V336 Y337 V355 V357 E403 | F335-R346 HydrophobicContact CB-CG 4.02Å; F335-R346 HydrophobicContact CD1-CG 3.68Å; F335-R346 HydrophobicContact CE1-CG 4.48Å; F335-R346 HydrophobicContact CG-CG 4.09Å; V336-R346 WeakPolarHBondContact O-CA 3.4Å; Y337-R346 HydrophobicContact CD1-CB 4.15Å; Y337-R346 HydrophobicContact CD1-CG 4.33Å; Y337-R346 HydrophobicContact CE1-CB 4.04Å; Y337-R346 HydrophobicContact CE1-CG 3.92Å; R346-V355 PolarHBondContact N-O 2.83Å; R346-V355 PolarHBondContact O-N 3.46Å; R346-V357 HydrophobicContact CB-CG2 3.42Å; R346-V357 VanDerWaalsContact CB-CG2 3.42Å; R346-E403 IonicContact CZ-OE1 2.74Å; R346-E403 IonicContact NH1-OE1 3.75Å; R346-E403 PolarHBondContact NH1-OE1 2.99Å; R346-E403 IonicContact NH2-OE1 3.48Å; R346-E403 PolarHBondContact NH2-OE1 3.43Å |
| 347 | L | 87.9 | Confident | 84.1 | Confident | 1 Ų | 1 | 54.2 Ų | 54.2 | 1% | 0.005 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.8 | 123.5 | 168.9 | -174 | 70.4 | 0 | 0 | 0 | 108.8 | F335 V336 Y338 N352 D354 I586 | F335-L347 WeakPolarHBondContact CA-O 3.45Å; V336-L347 HydrophobicContact CB-CB 4.32Å; V336-L347 PolarHBondContact N-O 3.04Å; V336-L347 PolarHBondContact O-N 3.01Å; Y338-L347 HydrophobicContact CD1-CB 4.5Å; Y338-L347 HydrophobicContact CE1-CB 3.98Å; L347-N352 WeakPolarHBondContact CD1-O 3.49Å; L347-D354 HydrophobicContact CD1-CB 3.92Å; L347-I586 HydrophobicContact CD2-CG2 3.9Å |
| 348 | N | 86.7 | Confident | 83.7 | Confident | 29 Ų | 29 | 53.8 Ų | 53.8 | 16% | 0.155 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.3 | 126.4 | 164.6 | 178.8 | -18.8 | 0 | 0 | 0 | 108.8 | F335 E350 N351 N352 K353 | F335-N348 HydrophobicContact CD1-CB 4.06Å; F335-N348 HydrophobicContact CE1-CB 3.9Å; N348-E350 WeakPolarHBondContact OD1-CB 3.23Å; N348-E350 PolarHBondContact OD1-N 3.45Å; N348-N351 VanDerWaalsContact CB-OD1 3.3Å; N348-N351 WeakPolarHBondContact CB-OD1 3.49Å; N348-N352 WeakPolarHBondContact O-CA 3.34Å; N348-N352 PolarHBondContact O-N 3.04Å; N348-K353 PolarHBondContact N-O 2.99Å |
| 349 | L | 81.4 | Confident | 83.1 | Confident | 15 Ų | 15 | 58 Ų | 58 | 8% | 0.079 | 28% | 0.278 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -74.3 | -21.6 | -175.2 | -69.4 | 171.8 | 0 | 0 | 0 | 113.9 | V331 N334 V336 F579 I586 | V331-L349 HydrophobicContact CG1-CD1 4.41Å; N334-L349 WeakPolarHBondContact O-CB 3.4Å; N334-L349 WeakPolarHBondContact O-CG 3.36Å; N334-L349 PolarHBondContact O-N 2.88Å; V336-L349 HydrophobicContact CG2-CD1 4.04Å; V336-L349 HydrophobicContact CG2-CD2 3.64Å; V336-L349 HydrophobicContact CG2-CG 4Å; L349-F579 HydrophobicContact CD1-CB 3.89Å; L349-F579 HydrophobicContact CD1-CD1 3.86Å; L349-F579 HydrophobicContact CD1-CD2 3.69Å; L349-F579 HydrophobicContact CD1-CE1 4.29Å; L349-F579 HydrophobicContact CD1-CE2 4.13Å; L349-F579 HydrophobicContact CD1-CG 3.53Å; L349-F579 HydrophobicContact CD1-CZ 4.41Å; L349-F579 HydrophobicContact CD2-CB 3.73Å; L349-F579 HydrophobicContact CD2-CD1 4.34Å; L349-F579 HydrophobicContact CD2-CG 4.15Å; L349-F579 HydrophobicContact CG-CB 4.48Å; L349-F579 HydrophobicContact CG-CG 4.43Å; L349-I586 HydrophobicContact CB-CD1 4.3Å; L349-I586 HydrophobicContact CD2-CB 4.25Å; L349-I586 HydrophobicContact CD2-CD1 3.51Å; L349-I586 HydrophobicContact CD2-CG1 4.45Å; L349-I586 HydrophobicContact CD2-CG2 4.03Å |
| 350 | E | 79.8 | Confident | 82.5 | Confident | 144 Ų | 144 | 58.8 Ų | 58.8 | 67% | 0.673 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.4 | -43.6 | -177.9 | -65 | 172 | 171.4 | 0 | 0 | 112.4 | N334 N348 | N334-E350 HydrophobicContact CB-CG 4.38Å; N334-E350 PolarHBondContact ND2-OE1 3.48Å; N348-E350 WeakPolarHBondContact OD1-CB 3.23Å; N348-E350 PolarHBondContact OD1-N 3.45Å |
| 351 | N | 80.9 | Confident | 81.5 | Confident | 97 Ų | 97 | 64.5 Ų | 64.5 | 52% | 0.519 | 30% | 0.302 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -114.3 | 4.4 | -175.3 | 63.6 | 13.5 | 0 | 0 | 0 | 113.5 | N348 K353 | N348-N351 VanDerWaalsContact CB-OD1 3.3Å; N348-N351 WeakPolarHBondContact CB-OD1 3.49Å; N351-K353 PolarHBondContact O-N 3.07Å; N351-K353 WeakPolarHBondContact OD1-CB 3.44Å; N351-K353 PolarHBondContact OD1-N 2.8Å |
| 352 | N | 79 | Confident | 80.6 | Confident | 67 Ų | 67 | 59.1 Ų | 59.1 | 36% | 0.358 | 29% | 0.29 | S | S | . | . | trans | 54.1 | 22.1 | -176.5 | -163.2 | 45.7 | 0 | 0 | 0 | 113.7 | L347 N348 D354 | L347-N352 WeakPolarHBondContact CD1-O 3.49Å; N348-N352 WeakPolarHBondContact O-CA 3.34Å; N348-N352 PolarHBondContact O-N 3.04Å; N352-D354 PolarHBondContact O-N 3.21Å | ||
| 353 | K | 84.4 | Confident | 79.3 | Confident | 135 Ų | 135 | 64 Ų | 64 | 59% | 0.587 | 31% | 0.314 | S | S | * | . | trans | -77.6 | 120 | -179.7 | -170.6 | 177.3 | -178.4 | 177.8 | 0 | 109.8 | N348 N351 V355 | N348-K353 PolarHBondContact N-O 2.99Å; N351-K353 PolarHBondContact O-N 3.07Å; N351-K353 WeakPolarHBondContact OD1-CB 3.44Å; N351-K353 PolarHBondContact OD1-N 2.8Å; K353-V355 HydrophobicContact CG-CG2 4.24Å | ||
| 354 | D | 84.7 | Confident | 77.8 | Confident | 54 Ų | 54 | 64 Ų | 64 | 29% | 0.289 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 118.1 | -179.5 | 172.1 | 24.4 | 0 | 0 | 0 | 110.8 | Y338 R345 L347 N352 | Y338-D354 PolarHBondContact OH-OD1 2.93Å; Y338-D354 VanDerWaalsContact OH-OD1 3.09Å; Y338-D354 PolarHBondContact OH-OD2 2.96Å; Y338-D354 VanDerWaalsContact OH-OD2 3.08Å; R345-D354 WeakPolarHBondContact CB-OD1 3.5Å; R345-D354 IonicContact CZ-OD1 3.89Å; R345-D354 IonicContact CZ-OD2 3.47Å; R345-D354 IonicContact NE-OD1 2.83Å; R345-D354 PolarHBondContact NE-OD1 3.35Å; R345-D354 IonicContact NE-OD2 2.85Å; R345-D354 PolarHBondContact NE-OD2 3.01Å; R345-D354 IonicContact NH2-OD1 3.6Å; R345-D354 PolarHBondContact NH2-OD1 3.37Å; R345-D354 IonicContact NH2-OD2 2.69Å; R345-D354 PolarHBondContact NH2-OD2 2.58Å; L347-D354 HydrophobicContact CD1-CB 3.92Å; N352-D354 PolarHBondContact O-N 3.21Å |
| 355 | V | 86.5 | Confident | 76.3 | Confident | 56 Ų | 56 | 70.5 Ų | 70.5 | 34% | 0.339 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 130.8 | -177.2 | -178.4 | 0 | 0 | 0 | 0 | 110.3 | R345 R346 K353 V357 | R345-V355 CarbonylContact C-O 3.54Å; R345-V355 VanDerWaalsContact CA-O 3.31Å; R345-V355 WeakPolarHBondContact CA-O 3.15Å; R346-V355 PolarHBondContact N-O 2.83Å; R346-V355 PolarHBondContact O-N 3.46Å; K353-V355 HydrophobicContact CG-CG2 4.24Å; V355-V357 PolarHBondContact O-N 3.25Å |
| 356 | A | 85.4 | Confident | 75.3 | Confident | 21 Ų | 21 | 70.3 Ų | 70.3 | 17% | 0.174 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.8 | 123 | 169.2 | 0 | 0 | 0 | 0 | 0 | 110.4 | V343 T411 | V343-A356 HydrophobicContact CG1-CB 3.7Å; A356-T411 HydrophobicContact CB-CG2 3.59Å |
| 357 | V | 82.5 | Confident | 74.5 | Confident | 21 Ų | 21 | 70.3 Ų | 70.3 | 13% | 0.127 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | -38.8 | -176.1 | 177.4 | 0 | 0 | 0 | 0 | 112.2 | L344 R346 V355 L400 | L344-V357 HydrophobicContact CD2-CB 4.16Å; L344-V357 HydrophobicContact CD2-CG1 4.13Å; L344-V357 HydrophobicContact CG-CB 4.41Å; L344-V357 PolarHBondContact O-N 2.98Å; R346-V357 HydrophobicContact CB-CG2 3.42Å; R346-V357 VanDerWaalsContact CB-CG2 3.42Å; V355-V357 PolarHBondContact O-N 3.25Å; V357-L400 HydrophobicContact CG1-CD1 4.26Å |
| 358 | A | 80.6 | Confident | 74.1 | Confident | 1 Ų | 1 | 71.7 Ų | 71.7 | 1% | 0.008 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.4 | 153.3 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | V343 L344 L400 P412 C414 | V343-A358 CarbonylContact C-O 3.54Å; V343-A358 WeakPolarHBondContact CA-O 3.27Å; L344-A358 HydrophobicContact CB-CB 4.24Å; L344-A358 HydrophobicContact CD2-CB 4.23Å; L344-A358 PolarHBondContact N-O 3.45Å; L344-A358 PolarHBondContact O-N 3.1Å; A358-L400 HydrophobicContact CB-CD2 4.46Å; A358-P412 VanDerWaalsContact CA-O 3.32Å; A358-P412 WeakPolarHBondContact CA-O 3.16Å; A358-C414 WeakPolarHBondContact CB-SG 3.34Å |
| 359 | Q | 78.8 | Confident | 73.9 | Confident | 91 Ų | 91 | 72.7 Ų | 72.7 | 43% | 0.425 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 134.8 | 169.7 | -168.1 | 173.2 | 13.3 | 0 | 0 | 111 | ||
| 360 | L | 71.7 | Confident | 74.1 | Confident | 29 Ų | 29 | 73.8 Ų | 73.8 | 15% | 0.152 | 38% | 0.379 | C | S | . | . | trans | -85.5 | 120.8 | 178.8 | -62.2 | 172.7 | 0 | 0 | 0 | 111.5 | M339 R342 L382 I417 | M339-L360 HydrophobicContact CE-CD1 3.41Å; M339-L360 VanDerWaalsContact CE-CD1 3.41Å; M339-L360 HydrophobicContact CE-CG 4.04Å; M339-L360 HydrophobicContact SD-CD1 4.34Å; R342-L360 PolarHBondContact O-N 3.33Å; L360-L382 HydrophobicContact CD1-CD1 3.46Å; L360-L382 VanDerWaalsContact CD1-CD1 3.46Å; L360-L382 HydrophobicContact CD2-CD1 3.71Å; L360-L382 HydrophobicContact CG-CD1 4.21Å; L360-I417 HydrophobicContact CD2-CD1 4.32Å | ||
| 361 | R | 61.6 | Low | 74.6 | Confident | 182 Ų | 182 | 67.8 Ų | 67.8 | 69% | 0.687 | 35% | 0.351 | S | S | * | . | trans | -80 | 124.6 | 173.1 | -74.3 | -176.8 | 171.2 | -167.3 | -1.2 | 111.4 | E413 | R361-E413 IonicContact CZ-OE1 3.8Å; R361-E413 IonicContact CZ-OE2 3.91Å; R361-E413 VanDerWaalsContact CZ-OE2 3.27Å; R361-E413 IonicContact NE-OE1 3.97Å; R361-E413 PolarHBondContact NE-OE1 3.19Å; R361-E413 IonicContact NE-OE2 2.79Å; R361-E413 PolarHBondContact NE-OE2 3.2Å; R361-E413 IonicContact NH2-OE1 3.76Å; R361-E413 PolarHBondContact NH2-OE1 2.9Å; R361-E413 IonicContact NH2-OE2 3.8Å; R361-E413 PolarHBondContact NH2-OE2 3.39Å | ||
| 362 | G | 56.3 | Low | 75 | Confident | 49 Ų | 49 | 64.7 Ų | 64.7 | 51% | 0.505 | 34% | 0.337 | S | S | . | . | S | Bend | trans | 147.1 | 149.7 | 166.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | R342 A364 | R342-G362 PolarHBondContact NH1-O 2.97Å; G362-A364 PolarHBondContact O-N 3.39Å |
| 363 | K | 50.6 | Low | 75.5 | Confident | 207 Ų | 207 | 63.2 Ų | 63.2 | 90% | 0.9 | 33% | 0.327 | S | S | * | . | trans | -76.1 | 24.7 | 175.9 | -69 | -174.4 | 177.4 | 179.3 | 0 | 113.9 | Q365 | K363-Q365 PolarHBondContact O-N 2.81Š| ||
| 364 | A | 51.7 | Low | 75.8 | Confident | 29 Ų | 29 | 57.2 Ų | 57.2 | 24% | 0.24 | 30% | 0.302 | C | S | . | . | trans | -69.9 | 101.3 | 176.5 | 0 | 0 | 0 | 0 | 0 | 109.8 | R342 G362 N366 | R342-A364 PolarHBondContact NE-O 3.4Å; R342-A364 PolarHBondContact NH2-O 3.42Å; G362-A364 PolarHBondContact O-N 3.39Å; A364-N366 VanDerWaalsContact C-N 3.32Å; A364-N366 PolarHBondContact O-N 3Å | ||
| 365 | Q | 56.1 | Low | 75.7 | Confident | 140 Ų | 140 | 57.4 Ų | 57.4 | 65% | 0.654 | 31% | 0.306 | S | S | * | . | trans | -67.5 | -29.3 | -173.5 | -73.5 | -165.7 | -8.9 | 0 | 0 | 113.9 | K363 | K363-Q365 PolarHBondContact O-N 2.81Š| ||
| 366 | N | 66.1 | Low | 75.6 | Confident | 57 Ų | 57 | 57.1 Ų | 57.1 | 31% | 0.305 | 31% | 0.309 | S | S | . | . | S | Bend | trans | -74 | 137.9 | -173.5 | -65.5 | -45 | 0 | 0 | 0 | 112.8 | A364 T384 | A364-N366 VanDerWaalsContact C-N 3.32Å; A364-N366 PolarHBondContact O-N 3Å; N366-T384 HydrophobicContact CB-CG2 3.76Å |
| 367 | P | 71.9 | Confident | 75.4 | Confident | 52 Ų | 52 | 60 Ų | 60 | 34% | 0.338 | 32% | 0.319 | S | S | . | . | P | Polyproline II helix | trans | -69.1 | 147.9 | 173.6 | 29 | -34.5 | 0 | 0 | 0 | 111.5 | ||
| 368 | P | 79.1 | Confident | 75.6 | Confident | 30 Ų | 30 | 61.1 Ų | 61.1 | 20% | 0.195 | 32% | 0.324 | C | S | . | . | P | Polyproline II helix | trans | -61.1 | 143.8 | 176.4 | 25 | -33.8 | 0 | 0 | 0 | 111.7 | V328 M339 | V328-P368 HydrophobicContact CG1-CB 4.31Å; V328-P368 HydrophobicContact CG1-CG 4.45Å; V328-P368 WeakPolarHBondContact CG1-O 3.36Å; V328-P368 HydrophobicContact CG2-CB 4.02Å; V328-P368 HydrophobicContact CG2-CG 3.63Å; M339-P368 HydrophobicContact CB-CG 4.22Å; M339-P368 HydrophobicContact CG-CG 4.11Å |
| 369 | F | 82.3 | Confident | 75.9 | Confident | 50 Ų | 50 | 61 Ų | 61 | 22% | 0.219 | 32% | 0.324 | C | S | . | . | S | Bend | trans | -92 | -39.8 | -177.8 | -179.6 | -82.2 | 0 | 0 | 0 | 112.5 | R324 V328 V383 R385 | R324-F369 VanDerWaalsContact NH1-CG 3.34Å; R324-F369 PolarHBondContact NH1-O 3.28Å; R324-F369 PolarHBondContact NH2-O 3.07Å; V328-F369 VanDerWaalsContact CG1-C 3.46Å; V328-F369 WeakPolarHBondContact CG1-O 3.31Å; F369-V383 WeakPolarHBondContact CA-O 3.5Å; F369-V383 WeakPolarHBondContact CB-O 3.36Å; F369-V383 PolarHBondContact N-O 3.38Å; F369-R385 HydrophobicContact CB-CB 4.26Å; F369-R385 HydrophobicContact CB-CG 4.17Å; F369-R385 HydrophobicContact CD2-CB 4.12Å; F369-R385 HydrophobicContact CD2-CG 4.16Å; F369-R385 HydrophobicContact CG-CB 4.32Å; F369-R385 HydrophobicContact CG-CG 4.04Å |
| 370 | S | 86.8 | Confident | 76.4 | Confident | 38 Ų | 38 | 56.8 Ų | 56.8 | 27% | 0.266 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.3 | 158.7 | 174.8 | 54.2 | 0 | 0 | 0 | 0 | 111.1 | V383 | S370-V383 PolarHBondContact N-O 3.36Å; S370-V383 PolarHBondContact O-N 3.38Å; S370-V383 WeakPolarHBondContact OG-CB 3.44Å |
| 371 | L | 89.7 | Confident | 77.2 | Confident | 17 Ų | 17 | 55.5 Ų | 55.5 | 9% | 0.089 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 132 | -179.8 | -175 | 158.6 | 0 | 0 | 0 | 107.5 | V328 A330 M339 L344 I380 L381 L382 | V328-L371 HydrophobicContact CB-CB 3.95Å; V328-L371 HydrophobicContact CG2-CB 4.06Å; V328-L371 HydrophobicContact CG2-CD1 4.17Å; A330-L371 HydrophobicContact CB-CD2 3.4Å; M339-L371 HydrophobicContact CG-CD1 3.87Å; M339-L371 HydrophobicContact SD-CD1 4.4Å; L344-L371 HydrophobicContact CD1-CD1 3.94Å; L371-I380 HydrophobicContact CD1-CG2 4.41Å; L371-I380 HydrophobicContact CD2-CD1 4.24Å; L371-I380 HydrophobicContact CD2-CG2 4.03Å; L371-I380 HydrophobicContact CG-CG2 3.73Å; L371-L381 WeakPolarHBondContact CA-O 3.46Å; L371-L382 HydrophobicContact CB-CD2 4Å; L371-L382 HydrophobicContact CD1-CD2 3.71Å; L371-L382 HydrophobicContact CG-CD2 3.7Å |
| 372 | S | 89.4 | Confident | 78.4 | Confident | 33 Ų | 33 | 47 Ų | 47 | 23% | 0.231 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 120 | 176.3 | -167.9 | 0 | 0 | 0 | 0 | 110.3 | I380 L381 W427 | S372-I380 CarbonylContact O-C 3.55Å; S372-I380 WeakPolarHBondContact O-CA 3.46Å; S372-L381 PolarHBondContact N-O 3.19Å; S372-L381 PolarHBondContact O-N 2.9Å; S372-W427 PolarHBondContact O-NE1 2.78Å |
| 373 | Y | 89.7 | Confident | 79.9 | Confident | 36 Ų | 36 | 44.7 Ų | 44.7 | 14% | 0.141 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 137.3 | -178.1 | 174.1 | -111.2 | 0 | 0 | 0 | 111.3 | Y332 Y337 P375 N378 S379 I380 L400 | Y332-Y373 HydrophobicContact CD1-CD1 4.4Å; Y332-Y373 AromaticContact CD1-CE1 3.8Å; Y332-Y373 HydrophobicContact CD1-CE1 3.8Å; Y332-Y373 HydrophobicContact CE1-CE1 4.48Å; Y332-Y373 HydrophobicContact CG-CD1 4.03Å; Y332-Y373 AromaticContact CG-CE1 3.9Å; Y332-Y373 HydrophobicContact CG-CE1 3.9Å; Y337-Y373 HydrophobicContact CD2-CD1 4.17Å; Y337-Y373 HydrophobicContact CD2-CD2 4.45Å; Y337-Y373 HydrophobicContact CD2-CE1 4.49Å; Y337-Y373 HydrophobicContact CD2-CG 4.14Å; Y337-Y373 HydrophobicContact CE1-CE2 4.47Å; Y337-Y373 AromaticContact CE2-CD1 3.94Å; Y337-Y373 HydrophobicContact CE2-CD1 3.94Å; Y337-Y373 HydrophobicContact CE2-CD2 4.36Å; Y337-Y373 AromaticContact CE2-CE1 3.8Å; Y337-Y373 HydrophobicContact CE2-CE1 3.8Å; Y337-Y373 HydrophobicContact CE2-CE2 4.25Å; Y337-Y373 HydrophobicContact CE2-CG 4.21Å; Y337-Y373 AromaticContact CE2-CZ 3.97Å; Y337-Y373 AromaticContact CZ-CZ 3.95Å; Y373-P375 HydrophobicContact CE1-CB 3.85Å; Y373-N378 PolarHBondContact OH-OD1 2.91Å; Y373-S379 WeakPolarHBondContact CD2-O 3.47Å; Y373-I380 HydrophobicContact CD2-CD1 4.38Å; Y373-I380 HydrophobicContact CD2-CG1 3.79Å; Y373-L400 HydrophobicContact CD2-CD1 4.37Å; Y373-L400 HydrophobicContact CE2-CD1 4.03Å |
| 374 | N | 89.5 | Confident | 81.4 | Confident | 9 Ų | 9 | 35.8 Ų | 35.8 | 5% | 0.048 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 112.8 | 173.2 | 173.6 | 11.2 | 0 | 0 | 0 | 109.5 | A376 N378 S379 W427 R430 | N374-A376 VanDerWaalsContact C-N 3.3Å; N374-A376 PolarHBondContact O-N 3.11Å; N374-A376 WeakPolarHBondContact OD1-CB 3.47Å; N374-A376 PolarHBondContact OD1-N 3.31Å; N374-N378 PolarHBondContact O-N 3.44Å; N374-S379 PolarHBondContact N-O 3.3Å; N374-S379 PolarHBondContact O-N 2.99Å; N374-S379 VanDerWaalsContact O-N 3.1Å; N374-W427 HydrophobicContact CB-CD2 3.56Å; N374-W427 HydrophobicContact CB-CE3 4.09Å; N374-W427 HydrophobicContact CB-CG 3.85Å; N374-W427 HydrophobicContact CB-CH2 4.3Å; N374-W427 HydrophobicContact CB-CZ2 3.78Å; N374-W427 HydrophobicContact CB-CZ3 4.43Å; N374-W427 VanDerWaalsContact ND2-CZ3 3.32Å; N374-W427 WeakPolarHBondContact ND2-CZ3 3.5Å; N374-R430 PolarHBondContact ND2-O 3.23Å |
| 375 | P | 84.4 | Confident | 82.5 | Confident | 58 Ų | 58 | 36 Ų | 36 | 38% | 0.377 | 20% | 0.199 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -73 | -18 | -177.6 | 32 | -38 | 0 | 0 | 0 | 113.9 | Y332 Y373 | Y332-P375 HydrophobicContact CD1-CB 4.31Å; Y332-P375 HydrophobicContact CD2-CB 4.38Å; Y332-P375 HydrophobicContact CD2-CG 4.24Å; Y332-P375 HydrophobicContact CE1-CB 3.74Å; Y332-P375 HydrophobicContact CE1-CG 4.45Å; Y332-P375 HydrophobicContact CE2-CB 3.84Å; Y332-P375 HydrophobicContact CE2-CG 3.63Å; Y332-P375 VanDerWaalsContact CZ-CB 3.47Å; Y373-P375 HydrophobicContact CE1-CB 3.85Å |
| 376 | A | 83.8 | Confident | 83 | Confident | 50 Ų | 50 | 31.2 Ų | 31.2 | 41% | 0.413 | 18% | 0.179 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -73.5 | -35.8 | -175.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | N374 R430 | N374-A376 VanDerWaalsContact C-N 3.3Å; N374-A376 PolarHBondContact O-N 3.11Å; N374-A376 WeakPolarHBondContact OD1-CB 3.47Å; N374-A376 PolarHBondContact OD1-N 3.31Å; A376-R430 HydrophobicContact CB-CB 3.7Å; A376-R430 HydrophobicContact CB-CG 3.76Å |
| 377 | E | 81.8 | Confident | 82.5 | Confident | 82 Ų | 82 | 31.1 Ų | 31.1 | 38% | 0.383 | 18% | 0.181 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -114.8 | 11.7 | -177.2 | -56.9 | -68.3 | 158.3 | 0 | 0 | 111.5 | S379 R430 L447 | E377-S379 VanDerWaalsContact C-N 3.27Å; E377-S379 PolarHBondContact O-N 3.27Å; E377-R430 WeakPolarHBondContact CG-O 3.38Å; E377-L447 VanDerWaalsContact CD-CD1 3.42Å; E377-L447 HydrophobicContact CG-CD1 3.67Å; E377-L447 HydrophobicContact CG-CD2 4.03Å |
| 378 | N | 85.8 | Confident | 81.7 | Confident | 43 Ų | 43 | 31.6 Ų | 31.6 | 23% | 0.23 | 18% | 0.181 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 42.1 | 50.9 | -171.8 | -167.2 | 30.4 | 0 | 0 | 0 | 112.6 | Y373 N374 L400 P401 | Y373-N378 PolarHBondContact OH-OD1 2.91Å; N374-N378 PolarHBondContact O-N 3.44Å; N378-L400 PolarHBondContact ND2-O 3.07Å; N378-L400 WeakPolarHBondContact O-CB 3.3Å; N378-L400 VanDerWaalsContact O-CG 3.31Å; N378-L400 WeakPolarHBondContact O-CG 3.38Å; N378-L400 PolarHBondContact O-N 3.42Å; N378-P401 PolarHBondContact ND2-O 3.48Å |
| 379 | S | 87.6 | Confident | 80.8 | Confident | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 157.6 | -170.6 | 65 | 0 | 0 | 0 | 0 | 113.5 | Y373 N374 E377 H397 C398 W427 | Y373-S379 WeakPolarHBondContact CD2-O 3.47Å; N374-S379 PolarHBondContact N-O 3.3Å; N374-S379 PolarHBondContact O-N 2.99Å; N374-S379 VanDerWaalsContact O-N 3.1Å; E377-S379 VanDerWaalsContact C-N 3.27Å; E377-S379 PolarHBondContact O-N 3.27Å; S379-H397 WeakPolarHBondContact CB-NE2 3.48Å; S379-H397 PolarHBondContact OG-NE2 3.11Å; S379-C398 CarbonylContact C-O 3.51Å; S379-C398 VanDerWaalsContact CA-O 3.31Å; S379-C398 WeakPolarHBondContact CA-O 3.42Å; S379-C398 WeakPolarHBondContact CB-O 3.35Å; S379-W427 WeakPolarHBondContact OG-CH2 3.24Å; S379-W427 VanDerWaalsContact OG-CZ2 3.3Å; S379-W427 WeakPolarHBondContact OG-CZ2 3.27Å |
| 380 | I | 88 | Confident | 79.8 | Confident | 2 Ų | 2 | 37.6 Ų | 37.6 | 1% | 0.01 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 141.6 | -177 | -66.7 | -177.4 | 0 | 0 | 0 | 110.2 | L344 L371 S372 Y373 L382 H397 C398 L400 | L344-I380 HydrophobicContact CD1-CD1 3.59Å; L344-I380 HydrophobicContact CD2-CD1 3.53Å; L344-I380 HydrophobicContact CG-CD1 4.2Å; L371-I380 HydrophobicContact CD1-CG2 4.41Å; L371-I380 HydrophobicContact CD2-CD1 4.24Å; L371-I380 HydrophobicContact CD2-CG2 4.03Å; L371-I380 HydrophobicContact CG-CG2 3.73Å; S372-I380 CarbonylContact O-C 3.55Å; S372-I380 WeakPolarHBondContact O-CA 3.46Å; Y373-I380 HydrophobicContact CD2-CD1 4.38Å; Y373-I380 HydrophobicContact CD2-CG1 3.79Å; I380-L382 HydrophobicContact CG2-CD2 3.83Å; I380-L382 HydrophobicContact CG2-CG 3.85Å; I380-H397 WeakPolarHBondContact O-CA 3.35Å; I380-C398 PolarHBondContact N-O 3.4Å; I380-C398 PolarHBondContact O-N 3.35Å; I380-L400 HydrophobicContact CD1-CD1 3.92Å; I380-L400 HydrophobicContact CD1-CD2 4.14Å; I380-L400 HydrophobicContact CD1-CG 4.44Å; I380-L400 HydrophobicContact CG1-CD1 4.11Å; I380-L400 HydrophobicContact CG1-CD2 4.39Å; I380-L400 HydrophobicContact CG1-CG 4.4Å |
| 381 | L | 89 | Confident | 78.7 | Confident | 1 Ų | 1 | 42.4 Ų | 42.4 | 1% | 0.005 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 118.9 | 160.5 | -66.5 | 167.6 | 0 | 0 | 0 | 108.6 | L371 S372 F395 E396 H397 A425 W427 Y433 | L371-L381 WeakPolarHBondContact CA-O 3.46Å; S372-L381 PolarHBondContact N-O 3.19Å; S372-L381 PolarHBondContact O-N 2.9Å; L381-F395 HydrophobicContact CD2-CD2 4.03Å; L381-F395 HydrophobicContact CD2-CE2 4.34Å; L381-E396 WeakPolarHBondContact CA-O 3.47Å; L381-H397 HydrophobicContact CD2-CB 3.87Å; L381-A425 HydrophobicContact CD1-CB 4.24Å; L381-W427 HydrophobicContact CD1-CD2 3.81Å; L381-W427 HydrophobicContact CD1-CG 4.02Å; L381-W427 HydrophobicContact CD1-CZ2 4.03Å; L381-W427 HydrophobicContact CD2-CZ2 4.3Å; L381-W427 HydrophobicContact CG-CD2 4.4Å; L381-W427 HydrophobicContact CG-CZ2 3.73Å; L381-Y433 HydrophobicContact CD1-CD2 4.14Å; L381-Y433 HydrophobicContact CD1-CG 3.88Å; L381-Y433 HydrophobicContact CD2-CD2 4.18Å; L381-Y433 HydrophobicContact CD2-CE2 4.26Å; L381-Y433 HydrophobicContact CD2-CG 4.33Å |
| 382 | L | 87.7 | Confident | 77.7 | Confident | 4 Ų | 4 | 42.9 Ų | 42.9 | 2% | 0.021 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 121.3 | 170.7 | -66 | 174.2 | 0 | 0 | 0 | 108.4 | M339 L360 L371 I380 F395 E396 | M339-L382 HydrophobicContact CG-CD2 4.29Å; M339-L382 HydrophobicContact SD-CD2 4.43Å; L360-L382 HydrophobicContact CD1-CD1 3.46Å; L360-L382 VanDerWaalsContact CD1-CD1 3.46Å; L360-L382 HydrophobicContact CD2-CD1 3.71Å; L360-L382 HydrophobicContact CG-CD1 4.21Å; L371-L382 HydrophobicContact CB-CD2 4Å; L371-L382 HydrophobicContact CD1-CD2 3.71Å; L371-L382 HydrophobicContact CG-CD2 3.7Å; I380-L382 HydrophobicContact CG2-CD2 3.83Å; I380-L382 HydrophobicContact CG2-CG 3.85Å; L382-F395 CarbonylContact O-C 3.53Å; L382-F395 WeakPolarHBondContact O-CA 3.45Å; L382-E396 HydrophobicContact CB-CB 4.44Å; L382-E396 PolarHBondContact N-O 3.32Å; L382-E396 PolarHBondContact O-N 3.07Å |
| 383 | V | 86.9 | Confident | 77.1 | Confident | 1 Ų | 1 | 41.3 Ų | 41.3 | 1% | 0.006 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 126.4 | 172.6 | -175.2 | 0 | 0 | 0 | 0 | 108.3 | F369 S370 R385 F395 A425 | F369-V383 WeakPolarHBondContact CA-O 3.5Å; F369-V383 WeakPolarHBondContact CB-O 3.36Å; F369-V383 PolarHBondContact N-O 3.38Å; S370-V383 PolarHBondContact N-O 3.36Å; S370-V383 PolarHBondContact O-N 3.38Å; S370-V383 WeakPolarHBondContact OG-CB 3.44Å; V383-R385 HydrophobicContact CG1-CG 4.45Å; V383-F395 HydrophobicContact CG2-CB 4.22Å; V383-A425 HydrophobicContact CG2-CB 3.99Å |
| 384 | T | 82.3 | Confident | 76.9 | Confident | 20 Ų | 20 | 40.7 Ų | 40.7 | 12% | 0.123 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 115.6 | 175.6 | -63.4 | 0 | 0 | 0 | 0 | 108.7 | N366 V394 | N366-T384 HydrophobicContact CB-CG2 3.76Å; T384-V394 PolarHBondContact N-O 3.15Å; T384-V394 PolarHBondContact O-N 3.07Å |
| 385 | R | 75.3 | Confident | 76.7 | Confident | 34 Ų | 34 | 40.2 Ų | 40.2 | 13% | 0.128 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 131.5 | 172.5 | -65.6 | -169.9 | -176.8 | 145.3 | 15.1 | 109.3 | F369 V383 P387 L423 E462 | F369-R385 HydrophobicContact CB-CB 4.26Å; F369-R385 HydrophobicContact CB-CG 4.17Å; F369-R385 HydrophobicContact CD2-CB 4.12Å; F369-R385 HydrophobicContact CD2-CG 4.16Å; F369-R385 HydrophobicContact CG-CB 4.32Å; F369-R385 HydrophobicContact CG-CG 4.04Å; V383-R385 HydrophobicContact CG1-CG 4.45Å; R385-P387 WeakPolarHBondContact O-CD 3.36Å; R385-L423 VanDerWaalsContact CZ-O 3.24Å; R385-L423 PolarHBondContact NE-O 2.91Å; R385-L423 PolarHBondContact NH2-O 2.99Å; R385-E462 IonicContact CZ-OE1 3.64Å; R385-E462 IonicContact NH1-OE1 2.78Å; R385-E462 PolarHBondContact NH1-OE1 3.29Å; R385-E462 IonicContact NH1-OE2 3.82Å; R385-E462 IonicContact NH2-OE1 2.68Å; R385-E462 PolarHBondContact NH2-OE1 3.27Å |
| 386 | V | 66.7 | Low | 76.8 | Confident | 39 Ų | 39 | 38.6 Ų | 38.6 | 24% | 0.236 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.2 | 121.8 | 168.8 | -174.7 | 0 | 0 | 0 | 0 | 107.1 | L388 Q389 S392 | V386-L388 PolarHBondContact O-N 3.41Å; V386-Q389 HydrophobicContact CB-CB 4.19Å; V386-Q389 HydrophobicContact CG1-CB 4.24Å; V386-Q389 CarbonylContact O-C 3.49Å; V386-Q389 PolarHBondContact O-N 3.4Å; V386-S392 WeakPolarHBondContact CG2-OG 3.43Å |
| 387 | P | 55.5 | Low | 76.9 | Confident | 54 Ų | 54 | 36.5 Ų | 36.5 | 35% | 0.351 | 19% | 0.193 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.8 | -0.4 | -170.8 | -25.4 | 35 | 0 | 0 | 0 | 116.4 | R385 | R385-P387 WeakPolarHBondContact O-CD 3.36Š|
| 388 | L | 53.8 | Low | 77 | Confident | 63 Ų | 63 | 32.8 Ų | 32.8 | 33% | 0.33 | 18% | 0.176 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -136.7 | -11.5 | -166.3 | -62.4 | 171.9 | 0 | 0 | 0 | 112.8 | H288 V386 | H288-L388 HydrophobicContact CB-CD1 3.67Å; H288-L388 VanDerWaalsContact CD2-CD1 3.47Å; H288-L388 WeakPolarHBondContact CD2-CD1 3.46Å; H288-L388 WeakPolarHBondContact CD2-CD2 3.46Å; H288-L388 WeakPolarHBondContact NE2-CD2 3.19Å; V386-L388 PolarHBondContact O-N 3.41Å |
| 389 | Q | 61.7 | Low | 77 | Confident | 120 Ų | 120 | 32.3 Ų | 32.3 | 56% | 0.561 | 18% | 0.175 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -138 | 79 | 173.5 | -72.7 | -179.4 | -11.3 | 0 | 0 | 106.4 | V386 E391 S392 | V386-Q389 HydrophobicContact CB-CB 4.19Å; V386-Q389 HydrophobicContact CG1-CB 4.24Å; V386-Q389 CarbonylContact O-C 3.49Å; V386-Q389 PolarHBondContact O-N 3.4Å; Q389-E391 PolarHBondContact O-N 2.88Å; Q389-E391 VanDerWaalsContact O-N 3.16Å; Q389-S392 WeakPolarHBondContact CB-OG 3.41Å; Q389-S392 PolarHBondContact O-N 3.35Å; Q389-S392 VanDerWaalsContact O-N 3.08Å; Q389-S392 PolarHBondContact O-OG 2.86Å; Q389-S392 VanDerWaalsContact O-OG 3.07Å; Q389-S392 PolarHBondContact OE1-OG 3.33Å; Q389-S392 VanDerWaalsContact OE1-OG 3.1Å |
| 390 | P | 60.5 | Low | 76.7 | Confident | 86 Ų | 86 | 32.6 Ų | 32.6 | 56% | 0.558 | 18% | 0.176 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -60.5 | -27.8 | -174.9 | 24.4 | -33.4 | 0 | 0 | 0 | 112.5 | ||
| 391 | E | 63.5 | Low | 76 | Confident | 139 Ų | 139 | 33.5 Ų | 33.5 | 65% | 0.65 | 18% | 0.182 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -71.7 | -23.8 | 177.7 | -64.8 | 175.5 | -155.1 | 0 | 0 | 113.8 | Q389 G393 L423 R438 | Q389-E391 PolarHBondContact O-N 2.88Å; Q389-E391 VanDerWaalsContact O-N 3.16Å; E391-G393 PolarHBondContact O-N 3.35Å; E391-L423 WeakPolarHBondContact O-CD2 3.48Å; E391-R438 WeakPolarHBondContact O-CD 3.3Å; E391-R438 WeakPolarHBondContact O-CG 3.41Å; E391-R438 PolarHBondContact O-NE 3.07Å |
| 392 | S | 69.2 | Low | 74.8 | Confident | 26 Ų | 26 | 38.8 Ų | 38.8 | 18% | 0.182 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83 | 31.9 | 175.4 | 65.2 | 0 | 0 | 0 | 0 | 113 | V386 Q389 | V386-S392 WeakPolarHBondContact CG2-OG 3.43Å; Q389-S392 WeakPolarHBondContact CB-OG 3.41Å; Q389-S392 PolarHBondContact O-N 3.35Å; Q389-S392 VanDerWaalsContact O-N 3.08Å; Q389-S392 PolarHBondContact O-OG 2.86Å; Q389-S392 VanDerWaalsContact O-OG 3.07Å; Q389-S392 PolarHBondContact OE1-OG 3.33Å; Q389-S392 VanDerWaalsContact OE1-OG 3.1Å |
| 393 | G | 76.6 | Confident | 73.4 | Confident | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -55.9 | 137 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | E391 G422 | E391-G393 PolarHBondContact O-N 3.35Å; G393-G422 CarbonylContact C-O 3.54Å; G393-G422 WeakPolarHBondContact CA-O 3.46Å; G393-G422 PolarHBondContact O-N 3.1Å |
| 394 | V | 85.2 | Confident | 71.4 | Confident | 23 Ų | 23 | 49.5 Ų | 49.5 | 14% | 0.139 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 140.9 | 176.8 | 172.1 | 0 | 0 | 0 | 0 | 108 | T384 R419 S420 G422 | T384-V394 PolarHBondContact N-O 3.15Å; T384-V394 PolarHBondContact O-N 3.07Å; V394-R419 HydrophobicContact CG1-CG 3.57Å; V394-S420 CarbonylContact C-O 3.57Å; V394-S420 WeakPolarHBondContact CA-O 3.45Å; V394-S420 WeakPolarHBondContact CG1-O 3.46Å; V394-G422 PolarHBondContact N-O 3.47Å |
| 395 | F | 86.1 | Confident | 69.7 | Low | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 151.5 | 165 | 78.3 | -84.6 | 0 | 0 | 0 | 111.2 | L381 L382 V383 R419 S420 Q421 A425 Y433 V435 K445 N449 | L381-F395 HydrophobicContact CD2-CD2 4.03Å; L381-F395 HydrophobicContact CD2-CE2 4.34Å; L382-F395 CarbonylContact O-C 3.53Å; L382-F395 WeakPolarHBondContact O-CA 3.45Å; V383-F395 HydrophobicContact CG2-CB 4.22Å; F395-R419 WeakPolarHBondContact O-CA 3.23Å; F395-S420 VanDerWaalsContact CE1-CB 3.41Å; F395-S420 VanDerWaalsContact CZ-CB 3.5Å; F395-S420 PolarHBondContact N-O 3.15Å; F395-S420 PolarHBondContact O-N 3.45Å; F395-Q421 WeakPolarHBondContact CE1-O 3.31Å; F395-A425 HydrophobicContact CB-CB 3.95Å; F395-A425 HydrophobicContact CD2-CB 4.19Å; F395-A425 HydrophobicContact CG-CB 3.96Å; F395-Y433 HydrophobicContact CD2-CE2 4.47Å; F395-Y433 HydrophobicContact CE2-CD2 4.49Å; F395-Y433 AromaticContact CE2-CE2 3.55Å; F395-Y433 HydrophobicContact CE2-CE2 3.55Å; F395-Y433 AromaticContact CZ-CE2 3.84Å; F395-Y433 HydrophobicContact CZ-CE2 3.84Å; F395-V435 HydrophobicContact CD1-CG1 3.87Å; F395-V435 HydrophobicContact CD1-CG2 4.23Å; F395-V435 HydrophobicContact CE1-CB 4.3Å; F395-V435 HydrophobicContact CE1-CG1 3.65Å; F395-V435 HydrophobicContact CE1-CG2 3.65Å; F395-V435 HydrophobicContact CE2-CG2 4.28Å; F395-V435 HydrophobicContact CZ-CG2 3.68Å; F395-K445 HydrophobicContact CZ-CD 4.12Å; F395-N449 WeakPolarHBondContact CZ-OD1 3.15Å |
| 396 | E | 85.4 | Confident | 68.3 | Low | 23 Ų | 23 | 54.5 Ų | 54.5 | 11% | 0.107 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 121.1 | 177.8 | -70.2 | 171.9 | 171.5 | 0 | 0 | 107.7 | L381 L382 I417 K418 R419 | L381-E396 WeakPolarHBondContact CA-O 3.47Å; L382-E396 HydrophobicContact CB-CB 4.44Å; L382-E396 PolarHBondContact N-O 3.32Å; L382-E396 PolarHBondContact O-N 3.07Å; E396-I417 HydrophobicContact CB-CG2 4.19Å; E396-I417 HydrophobicContact CG-CG2 4.35Å; E396-K418 WeakPolarHBondContact CA-O 3.24Å; E396-R419 HydrophobicContact CG-CB 4.01Å; E396-R419 HydrophobicContact CG-CG 3.85Å; E396-R419 WeakPolarHBondContact OE1-CD 3.47Å; E396-R419 IonicContact OE1-CZ 3.46Å; E396-R419 IonicContact OE1-NE 3.46Å; E396-R419 IonicContact OE1-NH1 3.37Å |
| 397 | H | 87.1 | Confident | 67.3 | Low | 7 Ų | 7 | 56.5 Ų | 56.5 | 3% | 0.032 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 117.3 | 169.8 | 174.5 | -129.4 | 0 | 0 | 0 | 108.5 | S379 I380 L381 I417 K418 W427 L447 | S379-H397 WeakPolarHBondContact CB-NE2 3.48Å; S379-H397 PolarHBondContact OG-NE2 3.11Å; I380-H397 WeakPolarHBondContact O-CA 3.35Å; L381-H397 HydrophobicContact CD2-CB 3.87Å; H397-I417 CarbonylContact O-C 3.58Å; H397-I417 WeakPolarHBondContact O-CA 3.35Å; H397-K418 HydrophobicContact CB-CB 4.35Å; H397-K418 PolarHBondContact N-O 3.41Å; H397-K418 PolarHBondContact O-N 3.26Å; H397-W427 AromaticContact CD2-CH2 3.82Å; H397-W427 AromaticContact CD2-CZ2 3.77Å; H397-W427 AromaticContact NE2-CH2 3.24Å; H397-W427 WeakPolarHBondContact NE2-CH2 3.49Å; H397-W427 AromaticContact NE2-CZ2 3.5Å; H397-L447 PolarHBondContact CE1-O 3.02Å |
| 398 | C | 83.5 | Confident | 66.7 | Low | 3 Ų | 3 | 58.6 Ų | 58.6 | 2% | 0.02 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 121.4 | -176.7 | -59.2 | 0 | 0 | 0 | 0 | 109.7 | S379 I380 E416 | S379-C398 CarbonylContact C-O 3.51Å; S379-C398 VanDerWaalsContact CA-O 3.31Å; S379-C398 WeakPolarHBondContact CA-O 3.42Å; S379-C398 WeakPolarHBondContact CB-O 3.35Å; I380-C398 PolarHBondContact N-O 3.4Å; I380-C398 PolarHBondContact O-N 3.35Å; C398-E416 WeakPolarHBondContact CA-O 3.31Å |
| 399 | V | 84.6 | Confident | 66.7 | Low | 34 Ų | 34 | 60.2 Ų | 60.2 | 21% | 0.206 | 40% | 0.4 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.1 | 133.5 | 169.6 | -177.4 | 0 | 0 | 0 | 0 | 108.7 | T415 E416 | V399-T415 PolarHBondContact O-OG1 3.3Å; V399-E416 PolarHBondContact N-O 2.85Å; V399-E416 VanDerWaalsContact N-O 3.16Å |
| 400 | L | 82.3 | Confident | 66.5 | Low | 5 Ų | 5 | 59.1 Ų | 59.1 | 3% | 0.026 | 40% | 0.402 | C | S | . | . | P | Polyproline II helix | trans | -92.1 | 144.3 | -179.4 | -53 | -177 | 0 | 0 | 0 | 110.8 | Y337 L344 V357 A358 Y373 N378 I380 | Y337-L400 HydrophobicContact CD1-CD1 4.47Å; Y337-L400 HydrophobicContact CE1-CD1 4.18Å; L344-L400 HydrophobicContact CD2-CD1 4.02Å; L344-L400 HydrophobicContact CD2-CD2 3.34Å; L344-L400 HydrophobicContact CD2-CG 4.34Å; V357-L400 HydrophobicContact CG1-CD1 4.26Å; A358-L400 HydrophobicContact CB-CD2 4.46Å; Y373-L400 HydrophobicContact CD2-CD1 4.37Å; Y373-L400 HydrophobicContact CE2-CD1 4.03Å; N378-L400 PolarHBondContact ND2-O 3.07Å; N378-L400 WeakPolarHBondContact O-CB 3.3Å; N378-L400 VanDerWaalsContact O-CG 3.31Å; N378-L400 WeakPolarHBondContact O-CG 3.38Å; N378-L400 PolarHBondContact O-N 3.42Å; I380-L400 HydrophobicContact CD1-CD1 3.92Å; I380-L400 HydrophobicContact CD1-CD2 4.14Å; I380-L400 HydrophobicContact CD1-CG 4.44Å; I380-L400 HydrophobicContact CG1-CD1 4.11Å; I380-L400 HydrophobicContact CG1-CD2 4.39Å; I380-L400 HydrophobicContact CG1-CG 4.4Å |
| 401 | P | 72.4 | Confident | 66.4 | Low | 22 Ų | 22 | 58.2 Ų | 58.2 | 14% | 0.143 | 39% | 0.394 | C | S | . | . | P | Polyproline II helix | trans | -62.5 | 137.6 | 174.9 | 26.8 | -34.4 | 0 | 0 | 0 | 111.1 | N378 P412 | N378-P401 PolarHBondContact ND2-O 3.48Å; P401-P412 HydrophobicContact CB-CB 4.46Å; P401-P412 HydrophobicContact CG-CB 4.01Å; P401-P412 HydrophobicContact CG-CG 3.91Å |
| 402 | T | 64.5 | Low | 66.3 | Low | 112 Ų | 112 | 53.7 Ų | 53.7 | 69% | 0.687 | 38% | 0.377 | S | S | * | . | P | Polyproline II helix | trans | -71.6 | 144 | 170 | -23.5 | 0 | 0 | 0 | 0 | 109.5 | A404 A405 | T402-A404 PolarHBondContact O-N 3.22Å; T402-A405 PolarHBondContact O-N 3.29Å |
| 403 | E | 58.7 | Low | 65.9 | Low | 122 Ų | 122 | 56.5 Ų | 56.5 | 57% | 0.57 | 39% | 0.387 | S | S | * | . | G | 310 helix | trans | -59.9 | -17.7 | -167.2 | -63.8 | -173.5 | 143 | 0 | 0 | 115.2 | R346 A405 S406 | R346-E403 IonicContact CZ-OE1 2.74Å; R346-E403 IonicContact NH1-OE1 3.75Å; R346-E403 PolarHBondContact NH1-OE1 2.99Å; R346-E403 IonicContact NH2-OE1 3.48Å; R346-E403 PolarHBondContact NH2-OE1 3.43Å; E403-A405 PolarHBondContact O-N 2.66Å; E403-S406 PolarHBondContact O-N 3.08Å; E403-S406 PolarHBondContact O-OG 2.86Å; E403-S406 VanDerWaalsContact O-OG 3.11Å |
| 404 | A | 45.5 | Very low | 65.3 | Low | 107 Ų | 107 | 57.3 Ų | 57.3 | 88% | 0.884 | 39% | 0.393 | S | S | * | . | G | 310 helix | trans | -58.9 | -14.9 | 175.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | T402 | T402-A404 PolarHBondContact O-N 3.22Š|
| 405 | A | 45.4 | Very low | 64.3 | Low | 65 Ų | 65 | 60.9 Ų | 60.9 | 54% | 0.537 | 42% | 0.415 | S | S | . | . | G | 310 helix | trans | -89.6 | -3.5 | -179.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | T402 E403 G407 | T402-A405 PolarHBondContact O-N 3.29Å; E403-A405 PolarHBondContact O-N 2.66Å; A405-G407 PolarHBondContact O-N 3.45Å |
| 406 | S | 45.7 | Very low | 63.5 | Low | 95 Ų | 95 | 65.5 Ų | 65.5 | 66% | 0.664 | 44% | 0.436 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.5 | 35.7 | -169.8 | 68.7 | 0 | 0 | 0 | 0 | 115.4 | E403 | E403-S406 PolarHBondContact O-N 3.08Å; E403-S406 PolarHBondContact O-OG 2.86Å; E403-S406 VanDerWaalsContact O-OG 3.11Å |
| 407 | G | 45.2 | Very low | 63 | Low | 80 Ų | 80 | 67.3 Ų | 67.3 | 83% | 0.825 | 45% | 0.446 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.8 | -12 | -179.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | A405 | A405-G407 PolarHBondContact O-N 3.45Š|
| 408 | T | 44.4 | Very low | 62.8 | Low | 99 Ų | 99 | 69.7 Ų | 69.7 | 61% | 0.607 | 46% | 0.456 | S | S | * | . | S | Bend | trans | -115.2 | 141.3 | 177.7 | 54.9 | 0 | 0 | 0 | 0 | 110.5 | T410 | T408-T410 PolarHBondContact O-N 2.99Å; T408-T410 PolarHBondContact OG1-OG1 2.92Å; T408-T410 VanDerWaalsContact OG1-OG1 3.14Å |
| 409 | G | 52.5 | Low | 62.7 | Low | 97 Ų | 97 | 76.3 Ų | 76.3 | 100% | 1 | 48% | 0.481 | S | S | * | . | S | Bend | trans | -68.3 | 11.3 | -176.1 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||
| 410 | T | 57.3 | Low | 62.7 | Low | 97 Ų | 97 | 76 Ų | 76 | 60% | 0.595 | 48% | 0.48 | S | S | * | . | S | Bend | trans | -92.4 | 135 | 176.8 | 46 | 0 | 0 | 0 | 0 | 110.4 | T408 P412 | T408-T410 PolarHBondContact O-N 2.99Å; T408-T410 PolarHBondContact OG1-OG1 2.92Å; T408-T410 VanDerWaalsContact OG1-OG1 3.14Å; T410-P412 WeakPolarHBondContact O-CD 3.45Å |
| 411 | T | 60.4 | Low | 62.8 | Low | 66 Ų | 66 | 80.8 Ų | 80.8 | 41% | 0.405 | 50% | 0.502 | S | S | . | . | P | Polyproline II helix | trans | -59.4 | 120.6 | 173.4 | 48.9 | 0 | 0 | 0 | 0 | 110.2 | A356 | A356-T411 HydrophobicContact CB-CG2 3.59Š|
| 412 | P | 60.9 | Low | 63.3 | Low | 44 Ų | 44 | 79.7 Ų | 79.7 | 29% | 0.286 | 50% | 0.495 | S | S | . | . | P | Polyproline II helix | trans | -68 | 153.5 | -176.1 | 26.6 | -32.1 | 0 | 0 | 0 | 110.9 | A358 P401 T410 | A358-P412 VanDerWaalsContact CA-O 3.32Å; A358-P412 WeakPolarHBondContact CA-O 3.16Å; P401-P412 HydrophobicContact CB-CB 4.46Å; P401-P412 HydrophobicContact CG-CB 4.01Å; P401-P412 HydrophobicContact CG-CG 3.91Å; T410-P412 WeakPolarHBondContact O-CD 3.45Å |
| 413 | E | 60.8 | Low | 64.3 | Low | 86 Ų | 86 | 75 Ų | 75 | 40% | 0.402 | 47% | 0.466 | S | S | . | . | B | Isolated β-bridge | trans | -90.2 | 157.1 | 179.8 | -61.8 | -173.1 | 124.9 | 0 | 0 | 111.2 | R361 T415 | R361-E413 IonicContact CZ-OE1 3.8Å; R361-E413 IonicContact CZ-OE2 3.91Å; R361-E413 VanDerWaalsContact CZ-OE2 3.27Å; R361-E413 IonicContact NE-OE1 3.97Å; R361-E413 PolarHBondContact NE-OE1 3.19Å; R361-E413 IonicContact NE-OE2 2.79Å; R361-E413 PolarHBondContact NE-OE2 3.2Å; R361-E413 IonicContact NH2-OE1 3.76Å; R361-E413 PolarHBondContact NH2-OE1 2.9Å; R361-E413 IonicContact NH2-OE2 3.8Å; R361-E413 PolarHBondContact NH2-OE2 3.39Å; E413-T415 PolarHBondContact O-N 2.96Å |
| 414 | C | 62.8 | Low | 65.7 | Low | 17 Ų | 17 | 69.4 Ų | 69.4 | 12% | 0.115 | 44% | 0.44 | C | S | . | . | P | Polyproline II helix | trans | -62.7 | 128.4 | 167.2 | -76.4 | 0 | 0 | 0 | 0 | 109.8 | A358 I417 | A358-C414 WeakPolarHBondContact CB-SG 3.34Å; C414-I417 HydrophobicContact CB-CD1 3.96Å; C414-I417 HydrophobicContact CB-CG1 3.73Å |
| 415 | T | 64.2 | Low | 67.8 | Low | 97 Ų | 97 | 64.5 Ų | 64.5 | 60% | 0.595 | 40% | 0.4 | S | S | * | . | S | Bend | trans | -68.2 | -43.3 | -175.8 | 48.1 | 0 | 0 | 0 | 0 | 112.5 | V399 E413 | V399-T415 PolarHBondContact O-OG1 3.3Å; E413-T415 PolarHBondContact O-N 2.96Å |
| 416 | E | 69.6 | Low | 70 | Confident | 98 Ų | 98 | 62 Ų | 62 | 46% | 0.458 | 38% | 0.378 | S | S | . | . | trans | -133.2 | 134.1 | 172.6 | -66.7 | -170.1 | 167.3 | 0 | 0 | 110.6 | C398 V399 K418 | C398-E416 WeakPolarHBondContact CA-O 3.31Å; V399-E416 PolarHBondContact N-O 2.85Å; V399-E416 VanDerWaalsContact N-O 3.16Å; E416-K418 WeakPolarHBondContact OE2-CE 3.31Å; E416-K418 IonicContact OE2-NZ 3.3Å; E416-K418 PolarHBondContact OE2-NZ 3.39Å | ||
| 417 | I | 75.5 | Confident | 72.2 | Confident | 60 Ų | 60 | 58.1 Ų | 58.1 | 31% | 0.308 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 105.8 | 170.3 | -56.4 | 179.6 | 0 | 0 | 0 | 108.7 | L360 E396 H397 C414 | L360-I417 HydrophobicContact CD2-CD1 4.32Å; E396-I417 HydrophobicContact CB-CG2 4.19Å; E396-I417 HydrophobicContact CG-CG2 4.35Å; H397-I417 CarbonylContact O-C 3.58Å; H397-I417 WeakPolarHBondContact O-CA 3.35Å; C414-I417 HydrophobicContact CB-CD1 3.96Å; C414-I417 HydrophobicContact CB-CG1 3.73Å |
| 418 | K | 81.8 | Confident | 74.3 | Confident | 58 Ų | 58 | 55 Ų | 55 | 25% | 0.252 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 104.5 | 177 | -69.3 | 169 | -170.9 | 157.7 | 0 | 109.5 | E396 H397 E416 L447 | E396-K418 WeakPolarHBondContact CA-O 3.24Å; H397-K418 HydrophobicContact CB-CB 4.35Å; H397-K418 PolarHBondContact N-O 3.41Å; H397-K418 PolarHBondContact O-N 3.26Å; E416-K418 WeakPolarHBondContact OE2-CE 3.31Å; E416-K418 IonicContact OE2-NZ 3.3Å; E416-K418 PolarHBondContact OE2-NZ 3.39Å; K418-L447 PolarHBondContact NZ-O 3.14Å |
| 419 | R | 81.6 | Confident | 76.3 | Confident | 142 Ų | 142 | 52.4 Ų | 52.4 | 54% | 0.536 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 138.1 | -179.2 | -174.3 | 172.7 | 172.1 | 158 | -2.1 | 111.4 | V394 F395 E396 | V394-R419 HydrophobicContact CG1-CG 3.57Å; F395-R419 WeakPolarHBondContact O-CA 3.23Å; E396-R419 HydrophobicContact CG-CB 4.01Å; E396-R419 HydrophobicContact CG-CG 3.85Å; E396-R419 WeakPolarHBondContact OE1-CD 3.47Å; E396-R419 IonicContact OE1-CZ 3.46Å; E396-R419 IonicContact OE1-NE 3.46Å; E396-R419 IonicContact OE1-NH1 3.37Å |
| 420 | S | 85.1 | Confident | 77.9 | Confident | 26 Ų | 26 | 56.9 Ų | 56.9 | 18% | 0.182 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.8 | 164.9 | 178.9 | -86.8 | 0 | 0 | 0 | 0 | 113.1 | V394 F395 N449 | V394-S420 CarbonylContact C-O 3.57Å; V394-S420 WeakPolarHBondContact CA-O 3.45Å; V394-S420 WeakPolarHBondContact CG1-O 3.46Å; F395-S420 VanDerWaalsContact CE1-CB 3.41Å; F395-S420 VanDerWaalsContact CZ-CB 3.5Å; F395-S420 PolarHBondContact N-O 3.15Å; F395-S420 PolarHBondContact O-N 3.45Å; S420-N449 PolarHBondContact OG-ND2 3.38Å; S420-N449 PolarHBondContact OG-OD1 3.17Å |
| 421 | Q | 84.7 | Confident | 79.4 | Confident | 106 Ų | 106 | 56.1 Ų | 56.1 | 50% | 0.495 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.7 | 143.1 | 178 | -58.8 | -173.4 | 18.2 | 0 | 0 | 111.1 | F395 R438 | F395-Q421 WeakPolarHBondContact CE1-O 3.31Å; Q421-R438 VanDerWaalsContact OE1-NH2 3.16Å |
| 422 | G | 83.8 | Confident | 80.8 | Confident | 0 Ų | 0 | 59.1 Ų | 59.1 | 0% | 0 | 28% | 0.284 | C | S | . | . | trans | 168.3 | 138.3 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | G393 V394 L436 | G393-G422 CarbonylContact C-O 3.54Å; G393-G422 WeakPolarHBondContact CA-O 3.46Å; G393-G422 PolarHBondContact O-N 3.1Å; V394-G422 PolarHBondContact N-O 3.47Å; G422-L436 CarbonylContact C-O 3.54Å; G422-L436 WeakPolarHBondContact CA-O 3.29Å | ||
| 423 | L | 84.2 | Confident | 82.3 | Confident | 13 Ų | 13 | 57 Ų | 57 | 7% | 0.068 | 27% | 0.271 | C | S | . | . | S | Bend | trans | -74.6 | -35.8 | -179 | -55.7 | -178.1 | 0 | 0 | 0 | 112.2 | R385 E391 L436 R438 | R385-L423 VanDerWaalsContact CZ-O 3.24Å; R385-L423 PolarHBondContact NE-O 2.91Å; R385-L423 PolarHBondContact NH2-O 2.99Å; E391-L423 WeakPolarHBondContact O-CD2 3.48Å; L423-L436 HydrophobicContact CB-CB 4.44Å; L423-L436 HydrophobicContact CB-CD2 4.25Å; L423-L436 HydrophobicContact CB-CG 4.33Å; L423-L436 HydrophobicContact CD1-CD2 4.25Å; L423-L436 HydrophobicContact CD1-CG 4.29Å; L423-L436 PolarHBondContact N-O 3.41Å; L423-R438 HydrophobicContact CD2-CG 4.46Å |
| 424 | S | 88.1 | Confident | 83.8 | Confident | 5 Ų | 5 | 52.9 Ų | 52.9 | 4% | 0.035 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150 | 150.8 | 174.5 | -171.2 | 0 | 0 | 0 | 0 | 109.3 | V435 L436 I463 | S424-V435 WeakPolarHBondContact O-CA 3.49Å; S424-L436 PolarHBondContact O-N 3.04Å; S424-I463 PolarHBondContact OG-O 3.46Å |
| 425 | A | 90.8 | Very high | 85.2 | Confident | 4 Ų | 4 | 52.1 Ų | 52.1 | 3% | 0.033 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.7 | 131.7 | 176 | 0 | 0 | 0 | 0 | 0 | 110.3 | L381 V383 F395 A434 V435 | L381-A425 HydrophobicContact CD1-CB 4.24Å; V383-A425 HydrophobicContact CG2-CB 3.99Å; F395-A425 HydrophobicContact CB-CB 3.95Å; F395-A425 HydrophobicContact CD2-CB 4.19Å; F395-A425 HydrophobicContact CG-CB 3.96Å; A425-A434 CarbonylContact C-O 3.57Å; A425-A434 VanDerWaalsContact CA-O 3.26Å; A425-A434 WeakPolarHBondContact CA-O 3.45Å; A425-V435 HydrophobicContact CB-CG2 4.24Å |
| 426 | V | 91.5 | Very high | 86.4 | Confident | 12 Ų | 12 | 47.5 Ų | 47.5 | 7% | 0.073 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.4 | 135 | -173.3 | 179.2 | 0 | 0 | 0 | 0 | 110.6 | Y433 A434 I463 Y465 L471 | V426-Y433 CarbonylContact O-C 3.51Å; V426-Y433 VanDerWaalsContact O-CA 3.28Å; V426-Y433 WeakPolarHBondContact O-CA 3.36Å; V426-Y433 WeakPolarHBondContact O-CB 3.29Å; V426-A434 PolarHBondContact N-O 3Å; V426-A434 PolarHBondContact O-N 3.14Å; V426-I463 HydrophobicContact CB-CD1 4.48Å; V426-I463 HydrophobicContact CG2-CD1 4.4Å; V426-I463 HydrophobicContact CG2-CG1 4.1Å; V426-I463 WeakPolarHBondContact CG2-O 3.44Å; V426-Y465 HydrophobicContact CG1-CD2 4.12Å; V426-L471 HydrophobicContact CG1-CD2 4.44Å |
| 427 | W | 91.8 | Very high | 87.2 | Confident | 13 Ų | 13 | 44.7 Ų | 44.7 | 5% | 0.049 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.3 | 132.1 | 173.3 | -66.1 | 109.9 | 0 | 0 | 0 | 112 | S372 N374 S379 L381 H397 Y433 L447 Y465 | S372-W427 PolarHBondContact O-NE1 2.78Å; N374-W427 HydrophobicContact CB-CD2 3.56Å; N374-W427 HydrophobicContact CB-CE3 4.09Å; N374-W427 HydrophobicContact CB-CG 3.85Å; N374-W427 HydrophobicContact CB-CH2 4.3Å; N374-W427 HydrophobicContact CB-CZ2 3.78Å; N374-W427 HydrophobicContact CB-CZ3 4.43Å; N374-W427 VanDerWaalsContact ND2-CZ3 3.32Å; N374-W427 WeakPolarHBondContact ND2-CZ3 3.5Å; S379-W427 WeakPolarHBondContact OG-CH2 3.24Å; S379-W427 VanDerWaalsContact OG-CZ2 3.3Å; S379-W427 WeakPolarHBondContact OG-CZ2 3.27Å; L381-W427 HydrophobicContact CD1-CD2 3.81Å; L381-W427 HydrophobicContact CD1-CG 4.02Å; L381-W427 HydrophobicContact CD1-CZ2 4.03Å; L381-W427 HydrophobicContact CD2-CZ2 4.3Å; L381-W427 HydrophobicContact CG-CD2 4.4Å; L381-W427 HydrophobicContact CG-CZ2 3.73Å; H397-W427 AromaticContact CD2-CH2 3.82Å; H397-W427 AromaticContact CD2-CZ2 3.77Å; H397-W427 AromaticContact NE2-CH2 3.24Å; H397-W427 WeakPolarHBondContact NE2-CH2 3.49Å; H397-W427 AromaticContact NE2-CZ2 3.5Å; W427-Y433 HydrophobicContact CE3-CD1 4.11Å; W427-Y433 HydrophobicContact CE3-CG 4.45Å; W427-Y433 AromaticContact CH2-CD1 3.97Å; W427-Y433 HydrophobicContact CH2-CD1 3.97Å; W427-Y433 AromaticContact CZ3-CD1 3.62Å; W427-Y433 HydrophobicContact CZ3-CD1 3.62Å; W427-Y433 HydrophobicContact CZ3-CE1 4.47Å; W427-Y433 HydrophobicContact CZ3-CG 4.38Å; W427-L447 HydrophobicContact CH2-CD2 3.76Å; W427-L447 HydrophobicContact CZ3-CD2 3.73Å; W427-Y465 WeakPolarHBondContact O-CD2 3.48Å; W427-Y465 WeakPolarHBondContact O-CE2 3.49Å |
| 428 | I | 89.3 | Confident | 87.6 | Confident | 14 Ų | 14 | 46.9 Ų | 46.9 | 7% | 0.072 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | -35.8 | 176.2 | -64.7 | 163.8 | 0 | 0 | 0 | 111.1 | R432 A434 L444 G469 L471 V484 | I428-R432 PolarHBondContact N-O 3.01Å; I428-A434 HydrophobicContact CD1-CB 3.32Å; I428-A434 HydrophobicContact CG1-CB 4.17Å; I428-L444 HydrophobicContact CD1-CD2 3.61Å; I428-G469 PolarHBondContact O-N 2.98Å; I428-G469 VanDerWaalsContact O-N 3.13Å; I428-L471 HydrophobicContact CD1-CD1 4.2Å; I428-L471 HydrophobicContact CD1-CD2 4.15Å; I428-L471 HydrophobicContact CD1-CG 4.23Å; I428-L471 HydrophobicContact CG1-CD2 3.85Å; I428-L471 HydrophobicContact CG1-CG 4.31Å; I428-V484 HydrophobicContact CD1-CG1 4.18Å; I428-V484 HydrophobicContact CD1-CG2 3.98Å |
| 429 | A | 86.2 | Confident | 87.6 | Confident | 45 Ų | 45 | 47.1 Ų | 47.1 | 37% | 0.372 | 22% | 0.219 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.3 | 171.8 | -179.9 | 0 | 0 | 0 | 0 | 0 | 109.9 | N431 R432 | A429-N431 PolarHBondContact O-N 3.16Å; A429-N431 VanDerWaalsContact O-N 3.12Å; A429-R432 HydrophobicContact CB-CB 4.38Å; A429-R432 PolarHBondContact N-O 3.38Å; A429-R432 VanDerWaalsContact N-O 3.09Å; A429-R432 PolarHBondContact O-N 3.23Å; A429-R432 VanDerWaalsContact O-O 3.05Å |
| 430 | R | 86.2 | Confident | 87.7 | Confident | 191 Ų | 191 | 43.3 Ų | 43.3 | 72% | 0.721 | 21% | 0.208 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -50 | -41.3 | -177.6 | -61.5 | -175.9 | -175.8 | 172.1 | 1.3 | 113.1 | N374 A376 E377 | N374-R430 PolarHBondContact ND2-O 3.23Å; A376-R430 HydrophobicContact CB-CB 3.7Å; A376-R430 HydrophobicContact CB-CG 3.76Å; E377-R430 WeakPolarHBondContact CG-O 3.38Å |
| 431 | N | 88.2 | Confident | 87.9 | Confident | 81 Ų | 81 | 42.8 Ų | 42.8 | 43% | 0.433 | 20% | 0.203 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -117 | 13.1 | -175.3 | 63.8 | -10.3 | 0 | 0 | 0 | 114.5 | A429 L447 | A429-N431 PolarHBondContact O-N 3.16Å; A429-N431 VanDerWaalsContact O-N 3.12Å; N431-L447 HydrophobicContact CB-CD1 4.02Å; N431-L447 HydrophobicContact CB-CG 4.24Å |
| 432 | R | 90.1 | Very high | 88.1 | Confident | 129 Ų | 129 | 37.7 Ų | 37.7 | 49% | 0.487 | 18% | 0.179 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.6 | 139.7 | -177.2 | -62.8 | -178.7 | -171.2 | 173.9 | 1.6 | 113.1 | I428 A429 K445 | I428-R432 PolarHBondContact N-O 3.01Å; A429-R432 HydrophobicContact CB-CB 4.38Å; A429-R432 PolarHBondContact N-O 3.38Å; A429-R432 VanDerWaalsContact N-O 3.09Å; A429-R432 PolarHBondContact O-N 3.23Å; A429-R432 VanDerWaalsContact O-O 3.05Å; R432-K445 VanDerWaalsContact CA-O 3.32Å; R432-K445 WeakPolarHBondContact CA-O 3.33Å |
| 433 | Y | 91.7 | Very high | 88.5 | Confident | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 149.9 | 173.3 | 54.9 | -86.1 | 0 | 0 | 0 | 110.9 | L381 F395 V426 W427 V435 K445 N446 N449 | L381-Y433 HydrophobicContact CD1-CD2 4.14Å; L381-Y433 HydrophobicContact CD1-CG 3.88Å; L381-Y433 HydrophobicContact CD2-CD2 4.18Å; L381-Y433 HydrophobicContact CD2-CE2 4.26Å; L381-Y433 HydrophobicContact CD2-CG 4.33Å; F395-Y433 HydrophobicContact CD2-CE2 4.47Å; F395-Y433 HydrophobicContact CE2-CD2 4.49Å; F395-Y433 AromaticContact CE2-CE2 3.55Å; F395-Y433 HydrophobicContact CE2-CE2 3.55Å; F395-Y433 AromaticContact CZ-CE2 3.84Å; F395-Y433 HydrophobicContact CZ-CE2 3.84Å; V426-Y433 CarbonylContact O-C 3.51Å; V426-Y433 VanDerWaalsContact O-CA 3.28Å; V426-Y433 WeakPolarHBondContact O-CA 3.36Å; V426-Y433 WeakPolarHBondContact O-CB 3.29Å; W427-Y433 HydrophobicContact CE3-CD1 4.11Å; W427-Y433 HydrophobicContact CE3-CG 4.45Å; W427-Y433 AromaticContact CH2-CD1 3.97Å; W427-Y433 HydrophobicContact CH2-CD1 3.97Å; W427-Y433 AromaticContact CZ3-CD1 3.62Å; W427-Y433 HydrophobicContact CZ3-CD1 3.62Å; W427-Y433 HydrophobicContact CZ3-CE1 4.47Å; W427-Y433 HydrophobicContact CZ3-CG 4.38Å; Y433-V435 HydrophobicContact CD2-CG2 3.65Å; Y433-V435 HydrophobicContact CE2-CG2 3.66Å; Y433-K445 HydrophobicContact CD2-CB 4.09Å; Y433-K445 HydrophobicContact CE1-CB 4.21Å; Y433-K445 HydrophobicContact CE2-CB 3.56Å; Y433-K445 HydrophobicContact CE2-CD 3.98Å; Y433-K445 HydrophobicContact CE2-CG 4.31Å; Y433-K445 PolarHBondContact N-O 2.91Å; Y433-K445 PolarHBondContact O-N 3.3Å; Y433-N446 WeakPolarHBondContact CE1-O 3.37Å; Y433-N446 PolarHBondContact OH-O 3.38Å; Y433-N449 WeakPolarHBondContact OH-CA 3.21Å; Y433-N449 WeakPolarHBondContact OH-CB 3.14Å; Y433-N449 PolarHBondContact OH-OD1 2.91Å |
| 434 | A | 92.4 | Very high | 88.8 | Confident | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 143.5 | 168.1 | 0 | 0 | 0 | 0 | 0 | 109.9 | A425 V426 I428 I442 L443 L444 I463 L471 | A425-A434 CarbonylContact C-O 3.57Å; A425-A434 VanDerWaalsContact CA-O 3.26Å; A425-A434 WeakPolarHBondContact CA-O 3.45Å; V426-A434 PolarHBondContact N-O 3Å; V426-A434 PolarHBondContact O-N 3.14Å; I428-A434 HydrophobicContact CD1-CB 3.32Å; I428-A434 HydrophobicContact CG1-CB 4.17Å; A434-I442 HydrophobicContact CB-CG2 3.75Å; A434-L443 WeakPolarHBondContact CA-O 3.43Å; A434-L444 HydrophobicContact CB-CD2 3.99Å; A434-I463 HydrophobicContact CB-CD1 3.71Å; A434-L471 HydrophobicContact CB-CD1 3.81Å; A434-L471 HydrophobicContact CB-CD2 4.31Å |
| 435 | V | 92 | Very high | 89 | Confident | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 129.2 | 168.9 | -176.4 | 0 | 0 | 0 | 0 | 107.9 | F395 S424 A425 Y433 L443 K445 | F395-V435 HydrophobicContact CD1-CG1 3.87Å; F395-V435 HydrophobicContact CD1-CG2 4.23Å; F395-V435 HydrophobicContact CE1-CB 4.3Å; F395-V435 HydrophobicContact CE1-CG1 3.65Å; F395-V435 HydrophobicContact CE1-CG2 3.65Å; F395-V435 HydrophobicContact CE2-CG2 4.28Å; F395-V435 HydrophobicContact CZ-CG2 3.68Å; S424-V435 WeakPolarHBondContact O-CA 3.49Å; A425-V435 HydrophobicContact CB-CG2 4.24Å; Y433-V435 HydrophobicContact CD2-CG2 3.65Å; Y433-V435 HydrophobicContact CE2-CG2 3.66Å; V435-L443 HydrophobicContact CB-CB 4.49Å; V435-L443 PolarHBondContact N-O 2.9Å; V435-L443 PolarHBondContact O-N 3.25Å; V435-K445 HydrophobicContact CG2-CD 4.01Å; V435-K445 HydrophobicContact CG2-CG 4.43Å |
| 436 | L | 90.5 | Very high | 88.9 | Confident | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.3 | 117.5 | 167.6 | -178.1 | 64.7 | 0 | 0 | 0 | 108.5 | G422 L423 S424 I442 D461 I463 | G422-L436 CarbonylContact C-O 3.54Å; G422-L436 WeakPolarHBondContact CA-O 3.29Å; L423-L436 HydrophobicContact CB-CB 4.44Å; L423-L436 HydrophobicContact CB-CD2 4.25Å; L423-L436 HydrophobicContact CB-CG 4.33Å; L423-L436 HydrophobicContact CD1-CD2 4.25Å; L423-L436 HydrophobicContact CD1-CG 4.29Å; L423-L436 PolarHBondContact N-O 3.41Å; S424-L436 PolarHBondContact O-N 3.04Å; L436-I442 HydrophobicContact CD1-CG1 4.3Å; L436-D461 WeakPolarHBondContact CD2-O 3.31Å; L436-I463 HydrophobicContact CB-CD1 4.4Å; L436-I463 HydrophobicContact CB-CG1 4.35Å |
| 437 | D | 86.5 | Confident | 88.6 | Confident | 39 Ų | 39 | 42.4 Ų | 42.4 | 21% | 0.209 | 20% | 0.202 | C | C | . | . | trans | -82.5 | 166.7 | 178.6 | -179.2 | 46.3 | 0 | 0 | 0 | 112.4 | S439 H440 T441 L443 | D437-S439 PolarHBondContact O-N 2.97Å; D437-S439 WeakPolarHBondContact OD2-CB 3.28Å; D437-S439 PolarHBondContact OD2-N 2.84Å; D437-S439 VanDerWaalsContact OD2-N 3.14Å; D437-S439 PolarHBondContact OD2-OG 3.48Å; D437-H440 WeakPolarHBondContact O-CA 3.35Å; D437-H440 PolarHBondContact O-N 3.22Å; D437-T441 PolarHBondContact N-O 3.5Å; D437-L443 HydrophobicContact CB-CD1 3.98Å; D437-L443 HydrophobicContact CB-CG 4.23Å | ||
| 438 | R | 82.7 | Confident | 88.1 | Confident | 107 Ų | 107 | 48.7 Ų | 48.7 | 40% | 0.404 | 23% | 0.23 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.9 | -28.8 | 172.5 | -64.5 | -174.5 | 179.9 | 158.2 | 10.1 | 113.2 | E391 Q421 L423 H440 | E391-R438 WeakPolarHBondContact O-CD 3.3Å; E391-R438 WeakPolarHBondContact O-CG 3.41Å; E391-R438 PolarHBondContact O-NE 3.07Å; Q421-R438 VanDerWaalsContact OE1-NH2 3.16Å; L423-R438 HydrophobicContact CD2-CG 4.46Å; R438-H440 PolarHBondContact O-N 3.01Å |
| 439 | S | 81.9 | Confident | 87.9 | Confident | 63 Ų | 63 | 49.8 Ų | 49.8 | 44% | 0.441 | 24% | 0.236 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71.7 | 6 | 172.3 | 59.9 | 0 | 0 | 0 | 0 | 114.3 | D437 T441 | D437-S439 PolarHBondContact O-N 2.97Å; D437-S439 WeakPolarHBondContact OD2-CB 3.28Å; D437-S439 PolarHBondContact OD2-N 2.84Å; D437-S439 VanDerWaalsContact OD2-N 3.14Å; D437-S439 PolarHBondContact OD2-OG 3.48Å; S439-T441 PolarHBondContact O-N 3.39Å; S439-T441 VanDerWaalsContact O-N 3.11Å; S439-T441 PolarHBondContact OG-OG1 3.33Å |
| 440 | H | 84 | Confident | 87.9 | Confident | 62 Ų | 62 | 52.5 Ų | 52.5 | 29% | 0.287 | 24% | 0.241 | S | C | . | . | S | Bend | trans | 57.1 | 16.9 | -170.7 | -64 | -92.4 | 0 | 0 | 0 | 114.5 | D437 R438 C460 | D437-H440 WeakPolarHBondContact O-CA 3.35Å; D437-H440 PolarHBondContact O-N 3.22Å; R438-H440 PolarHBondContact O-N 3.01Å; H440-C460 PolarHBondContact ND1-O 3.39Å |
| 441 | T | 88.7 | Confident | 88 | Confident | 14 Ų | 14 | 47.2 Ų | 47.2 | 9% | 0.086 | 23% | 0.229 | C | C | . | . | P | Polyproline II helix | trans | -93.4 | 149.3 | 174.6 | 66.1 | 0 | 0 | 0 | 0 | 111.7 | D437 S439 K454 E456 | D437-T441 PolarHBondContact N-O 3.5Å; S439-T441 PolarHBondContact O-N 3.39Å; S439-T441 VanDerWaalsContact O-N 3.11Å; S439-T441 PolarHBondContact OG-OG1 3.33Å; T441-K454 WeakPolarHBondContact OG1-CE 3.37Å; T441-E456 HydrophobicContact CG2-CG 4.13Å |
| 442 | I | 90.8 | Very high | 87.9 | Confident | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 117.2 | 180 | -60.7 | 177.9 | 0 | 0 | 0 | 109.3 | A434 L436 L444 I455 V457 I463 L471 L473 | A434-I442 HydrophobicContact CB-CG2 3.75Å; L436-I442 HydrophobicContact CD1-CG1 4.3Å; I442-L444 HydrophobicContact CG2-CD2 4.14Å; I442-I455 HydrophobicContact CB-CB 4.36Å; I442-I455 PolarHBondContact N-O 3.38Å; I442-I455 PolarHBondContact O-N 3.32Å; I442-V457 HydrophobicContact CD1-CB 4.47Å; I442-V457 HydrophobicContact CD1-CG1 3.81Å; I442-V457 HydrophobicContact CD1-CG2 3.88Å; I442-V457 HydrophobicContact CG1-CG1 4.42Å; I442-V457 HydrophobicContact CG1-CG2 3.92Å; I442-I463 HydrophobicContact CD1-CG2 4.16Å; I442-L471 HydrophobicContact CD1-CD1 3.98Å; I442-L471 HydrophobicContact CG2-CD1 4.22Å; I442-L473 HydrophobicContact CD1-CD2 3.62Å |
| 443 | L | 91.3 | Very high | 87.8 | Confident | 27 Ų | 27 | 44.2 Ų | 44.2 | 14% | 0.141 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 116.1 | 174.7 | -56.3 | 179.2 | 0 | 0 | 0 | 109.4 | A434 V435 D437 V451 K454 | A434-L443 WeakPolarHBondContact CA-O 3.43Å; V435-L443 HydrophobicContact CB-CB 4.49Å; V435-L443 PolarHBondContact N-O 2.9Å; V435-L443 PolarHBondContact O-N 3.25Å; D437-L443 HydrophobicContact CB-CD1 3.98Å; D437-L443 HydrophobicContact CB-CG 4.23Å; L443-V451 HydrophobicContact CB-CG1 4.47Å; L443-V451 HydrophobicContact CD1-CG2 4.47Å; L443-V451 HydrophobicContact CD2-CG1 4.22Å; L443-K454 HydrophobicContact CD2-CB 4.22Å; L443-K454 HydrophobicContact CD2-CD 4.41Å; L443-K454 HydrophobicContact CD2-CG 3.92Å |
| 444 | L | 91.3 | Very high | 87.7 | Confident | 12 Ų | 12 | 49.4 Ų | 49.4 | 6% | 0.063 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.4 | 116.5 | 170.8 | -58.2 | -170.7 | 0 | 0 | 0 | 109.4 | I428 A434 I442 S452 K453 I455 V484 | I428-L444 HydrophobicContact CD1-CD2 3.61Å; A434-L444 HydrophobicContact CB-CD2 3.99Å; I442-L444 HydrophobicContact CG2-CD2 4.14Å; L444-S452 WeakPolarHBondContact CB-OG 3.4Å; L444-S452 PolarHBondContact O-N 3.35Å; L444-S452 PolarHBondContact O-OG 3.47Å; L444-K453 HydrophobicContact CB-CB 4.15Å; L444-K453 HydrophobicContact CD1-CB 3.97Å; L444-K453 HydrophobicContact CD1-CD 4.26Å; L444-K453 HydrophobicContact CG-CB 4.22Å; L444-K453 PolarHBondContact N-O 3.05Å; L444-K453 PolarHBondContact O-N 2.74Å; L444-I455 HydrophobicContact CD1-CD1 4.01Å; L444-I455 HydrophobicContact CD2-CD1 4.5Å; L444-I455 HydrophobicContact CG-CD1 4.21Å; L444-V484 HydrophobicContact CD1-CG1 3.41Å; L444-V484 VanDerWaalsContact CD1-CG1 3.41Å; L444-V484 HydrophobicContact CD2-CG1 3.63Å; L444-V484 HydrophobicContact CG-CG1 4.11Å |
| 445 | K | 90.9 | Very high | 87.5 | Confident | 17 Ų | 17 | 49.5 Ų | 49.5 | 7% | 0.074 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 149.8 | -178.7 | -67.7 | -169.8 | 171 | -171.3 | 0 | 112.7 | F395 R432 Y433 V435 N449 E450 V451 | F395-K445 HydrophobicContact CZ-CD 4.12Å; R432-K445 VanDerWaalsContact CA-O 3.32Å; R432-K445 WeakPolarHBondContact CA-O 3.33Å; Y433-K445 HydrophobicContact CD2-CB 4.09Å; Y433-K445 HydrophobicContact CE1-CB 4.21Å; Y433-K445 HydrophobicContact CE2-CB 3.56Å; Y433-K445 HydrophobicContact CE2-CD 3.98Å; Y433-K445 HydrophobicContact CE2-CG 4.31Å; Y433-K445 PolarHBondContact N-O 2.91Å; Y433-K445 PolarHBondContact O-N 3.3Å; V435-K445 HydrophobicContact CG2-CD 4.01Å; V435-K445 HydrophobicContact CG2-CG 4.43Å; K445-N449 WeakPolarHBondContact CD-OD1 3.47Å; K445-N449 PolarHBondContact NZ-OD1 3.1Å; K445-E450 VanDerWaalsContact CA-O 3.27Å; K445-E450 WeakPolarHBondContact CA-O 3.44Å; K445-V451 HydrophobicContact CG-CG2 4.19Å |
| 446 | N | 88.8 | Confident | 87.2 | Confident | 41 Ų | 41 | 56.6 Ų | 56.6 | 22% | 0.219 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 178.3 | 171.4 | 71.3 | 9.9 | 0 | 0 | 0 | 111.5 | Y433 K448 N449 E450 | Y433-N446 WeakPolarHBondContact CE1-O 3.37Å; Y433-N446 PolarHBondContact OH-O 3.38Å; N446-K448 PolarHBondContact O-N 2.75Å; N446-K448 WeakPolarHBondContact OD1-CA 3.44Å; N446-K448 WeakPolarHBondContact OD1-CB 3.49Å; N446-K448 PolarHBondContact OD1-N 3.06Å; N446-N449 WeakPolarHBondContact O-CA 3.42Å; N446-N449 PolarHBondContact O-N 3.16Å; N446-N449 PolarHBondContact OD1-N 3.49Å; N446-N449 VanDerWaalsContact OD1-N 3.16Å; N446-E450 PolarHBondContact N-O 3.43Å; N446-E450 VanDerWaalsContact N-O 3.13Å; N446-E450 PolarHBondContact ND2-OE2 3.37Å; N446-E450 WeakPolarHBondContact OD1-CB 3.38Å; N446-E450 PolarHBondContact OD1-N 3.13Å |
| 447 | L | 85 | Confident | 86.8 | Confident | 36 Ų | 36 | 57.8 Ų | 57.8 | 19% | 0.188 | 29% | 0.287 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.5 | -17.4 | 178.2 | -57.5 | 173.5 | 0 | 0 | 0 | 114.4 | E377 H397 K418 W427 N431 N449 | E377-L447 VanDerWaalsContact CD-CD1 3.42Å; E377-L447 HydrophobicContact CG-CD1 3.67Å; E377-L447 HydrophobicContact CG-CD2 4.03Å; H397-L447 PolarHBondContact CE1-O 3.02Å; K418-L447 PolarHBondContact NZ-O 3.14Å; W427-L447 HydrophobicContact CH2-CD2 3.76Å; W427-L447 HydrophobicContact CZ3-CD2 3.73Å; N431-L447 HydrophobicContact CB-CD1 4.02Å; N431-L447 HydrophobicContact CB-CG 4.24Å; L447-N449 VanDerWaalsContact C-N 3.3Å |
| 448 | K | 82.5 | Confident | 86.4 | Confident | 145 Ų | 145 | 59 Ų | 59 | 63% | 0.63 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85 | -0.5 | 171.1 | -65 | -175.2 | 176.7 | -176.4 | 0 | 113.1 | N446 E450 | N446-K448 PolarHBondContact O-N 2.75Å; N446-K448 WeakPolarHBondContact OD1-CA 3.44Å; N446-K448 WeakPolarHBondContact OD1-CB 3.49Å; N446-K448 PolarHBondContact OD1-N 3.06Å; K448-E450 HydrophobicContact CB-CG 3.99Å; K448-E450 VanDerWaalsContact CD-OE1 3.24Å; K448-E450 WeakPolarHBondContact CD-OE1 3.15Å; K448-E450 PolarHBondContact O-N 2.96Å |
| 449 | N | 84.4 | Confident | 86.3 | Confident | 36 Ų | 36 | 59.2 Ų | 59.2 | 19% | 0.193 | 31% | 0.306 | C | S | . | . | trans | 67.2 | 16.5 | -175.6 | 178 | 57.4 | 0 | 0 | 0 | 114.1 | F395 S420 Y433 K445 N446 L447 | F395-N449 WeakPolarHBondContact CZ-OD1 3.15Å; S420-N449 PolarHBondContact OG-ND2 3.38Å; S420-N449 PolarHBondContact OG-OD1 3.17Å; Y433-N449 WeakPolarHBondContact OH-CA 3.21Å; Y433-N449 WeakPolarHBondContact OH-CB 3.14Å; Y433-N449 PolarHBondContact OH-OD1 2.91Å; K445-N449 WeakPolarHBondContact CD-OD1 3.47Å; K445-N449 PolarHBondContact NZ-OD1 3.1Å; N446-N449 WeakPolarHBondContact O-CA 3.42Å; N446-N449 PolarHBondContact O-N 3.16Å; N446-N449 PolarHBondContact OD1-N 3.49Å; N446-N449 VanDerWaalsContact OD1-N 3.16Å; L447-N449 VanDerWaalsContact C-N 3.3Å | ||
| 450 | E | 87.1 | Confident | 86.4 | Confident | 102 Ų | 102 | 56.2 Ų | 56.2 | 48% | 0.477 | 29% | 0.285 | S | S | . | . | trans | -78.6 | 141.3 | 172.5 | -58.8 | 154.8 | 179.5 | 0 | 0 | 110 | K445 N446 K448 S452 | K445-E450 VanDerWaalsContact CA-O 3.27Å; K445-E450 WeakPolarHBondContact CA-O 3.44Å; N446-E450 PolarHBondContact N-O 3.43Å; N446-E450 VanDerWaalsContact N-O 3.13Å; N446-E450 PolarHBondContact ND2-OE2 3.37Å; N446-E450 WeakPolarHBondContact OD1-CB 3.38Å; N446-E450 PolarHBondContact OD1-N 3.13Å; K448-E450 HydrophobicContact CB-CG 3.99Å; K448-E450 VanDerWaalsContact CD-OE1 3.24Å; K448-E450 WeakPolarHBondContact CD-OE1 3.15Å; K448-E450 PolarHBondContact O-N 2.96Å; E450-S452 PolarHBondContact O-N 3.12Å | ||
| 451 | V | 88.4 | Confident | 86.4 | Confident | 80 Ų | 80 | 56.1 Ų | 56.1 | 49% | 0.485 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.7 | 112.7 | 179.1 | 180 | 0 | 0 | 0 | 0 | 109.8 | L443 K445 | L443-V451 HydrophobicContact CB-CG1 4.47Å; L443-V451 HydrophobicContact CD1-CG2 4.47Å; L443-V451 HydrophobicContact CD2-CG1 4.22Å; K445-V451 HydrophobicContact CG-CG2 4.19Å |
| 452 | S | 85.7 | Confident | 86.3 | Confident | 64 Ų | 64 | 56 Ų | 56 | 45% | 0.448 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | -29.5 | 178.1 | 64.5 | 0 | 0 | 0 | 0 | 114 | L444 E450 | L444-S452 WeakPolarHBondContact CB-OG 3.4Å; L444-S452 PolarHBondContact O-N 3.35Å; L444-S452 PolarHBondContact O-OG 3.47Å; E450-S452 PolarHBondContact O-N 3.12Å |
| 453 | K | 87.2 | Confident | 86.4 | Confident | 84 Ų | 84 | 56 Ų | 56 | 37% | 0.365 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -160.1 | 139.7 | -179.8 | -153.9 | 176.2 | -173.7 | -178.1 | 0 | 109.4 | L444 | L444-K453 HydrophobicContact CB-CB 4.15Å; L444-K453 HydrophobicContact CD1-CB 3.97Å; L444-K453 HydrophobicContact CD1-CD 4.26Å; L444-K453 HydrophobicContact CG-CB 4.22Å; L444-K453 PolarHBondContact N-O 3.05Å; L444-K453 PolarHBondContact O-N 2.74Å |
| 454 | K | 89.4 | Confident | 86.4 | Confident | 108 Ų | 108 | 56 Ų | 56 | 47% | 0.47 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 136.6 | 164.3 | -173.4 | 178.5 | -178.1 | -155.5 | 0 | 108.6 | T441 L443 E456 | T441-K454 WeakPolarHBondContact OG1-CE 3.37Å; L443-K454 HydrophobicContact CD2-CB 4.22Å; L443-K454 HydrophobicContact CD2-CD 4.41Å; L443-K454 HydrophobicContact CD2-CG 3.92Å; K454-E456 IonicContact NZ-OE1 3.47Å |
| 455 | I | 88.1 | Confident | 86.5 | Confident | 2 Ų | 2 | 59.8 Ų | 59.8 | 1% | 0.01 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 124.6 | 174.9 | -55.8 | 179.3 | 0 | 0 | 0 | 107.6 | I442 L444 V457 F482 V484 | I442-I455 HydrophobicContact CB-CB 4.36Å; I442-I455 PolarHBondContact N-O 3.38Å; I442-I455 PolarHBondContact O-N 3.32Å; L444-I455 HydrophobicContact CD1-CD1 4.01Å; L444-I455 HydrophobicContact CD2-CD1 4.5Å; L444-I455 HydrophobicContact CG-CD1 4.21Å; I455-V457 HydrophobicContact CG2-CG1 3.95Å; I455-F482 HydrophobicContact CG2-CE1 4.02Å; I455-F482 HydrophobicContact CG2-CZ 3.84Å; I455-V484 HydrophobicContact CD1-CG1 3.87Å |
| 456 | E | 85.7 | Confident | 86.3 | Confident | 149 Ų | 149 | 59.1 Ų | 59.1 | 70% | 0.696 | 30% | 0.297 | S | S | * | . | trans | -88.5 | 133.2 | 171.4 | -66.2 | 175.5 | 174.2 | 0 | 0 | 107.7 | T441 K454 | T441-E456 HydrophobicContact CG2-CG 4.13Å; K454-E456 IonicContact NZ-OE1 3.47Å | ||
| 457 | V | 82.6 | Confident | 86.2 | Confident | 25 Ų | 25 | 57.3 Ų | 57.3 | 15% | 0.152 | 29% | 0.288 | C | S | . | . | trans | -137.1 | 158.3 | -175.8 | -69.4 | 0 | 0 | 0 | 0 | 109 | I442 I455 L473 F482 | I442-V457 HydrophobicContact CD1-CB 4.47Å; I442-V457 HydrophobicContact CD1-CG1 3.81Å; I442-V457 HydrophobicContact CD1-CG2 3.88Å; I442-V457 HydrophobicContact CG1-CG1 4.42Å; I442-V457 HydrophobicContact CG1-CG2 3.92Å; I455-V457 HydrophobicContact CG2-CG1 3.95Å; V457-L473 HydrophobicContact CB-CD1 4.16Å; V457-L473 HydrophobicContact CG1-CD1 4.05Å; V457-F482 HydrophobicContact CG1-CE1 4.26Å; V457-F482 HydrophobicContact CG1-CE2 4.11Å; V457-F482 HydrophobicContact CG1-CZ 3.9Å | ||
| 458 | P | 77.2 | Confident | 86.3 | Confident | 66 Ų | 66 | 60.5 Ų | 60.5 | 43% | 0.429 | 31% | 0.311 | S | S | . | . | S | Bend | trans | -55.6 | 154.1 | 169.9 | -23.7 | 34.7 | 0 | 0 | 0 | 111.7 | C460 | P458-C460 PolarHBondContact O-N 3.21Š|
| 459 | L | 81.9 | Confident | 86.6 | Confident | 111 Ų | 111 | 54.1 Ų | 54.1 | 58% | 0.581 | 29% | 0.286 | S | S | * | . | trans | -49.1 | 106.3 | -174 | -171.6 | 114 | 0 | 0 | 0 | 111.9 | P476 | L459-P476 HydrophobicContact CD2-CG 4.28Š| ||
| 460 | C | 84.3 | Confident | 86.9 | Confident | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 28% | 0.284 | C | S | . | . | trans | -122.2 | 134.7 | 179.9 | 68.2 | 0 | 0 | 0 | 0 | 110.9 | H440 P458 L473 R474 | H440-C460 PolarHBondContact ND1-O 3.39Å; P458-C460 PolarHBondContact O-N 3.21Å; C460-L473 HydrophobicContact CB-CB 4.3Å; C460-R474 CarbonylContact C-O 3.48Å; C460-R474 VanDerWaalsContact CA-O 3.28Å; C460-R474 WeakPolarHBondContact CA-O 3.45Å | ||
| 461 | D | 83.1 | Confident | 87.2 | Confident | 59 Ų | 59 | 49 Ų | 49 | 32% | 0.316 | 26% | 0.262 | S | S | . | . | S | Bend | trans | -82.2 | -27.3 | -179.2 | -69.3 | -3.1 | 0 | 0 | 0 | 111.9 | L436 R474 | L436-D461 WeakPolarHBondContact CD2-O 3.31Å; D461-R474 VanDerWaalsContact CB-CZ 3.42Å; D461-R474 VanDerWaalsContact CB-NH2 3.27Å; D461-R474 PolarHBondContact N-O 3.08Å; D461-R474 IonicContact OD2-CZ 2.89Å; D461-R474 IonicContact OD2-NH1 3.83Å; D461-R474 PolarHBondContact OD2-NH1 3.03Å; D461-R474 IonicContact OD2-NH2 3.49Å |
| 462 | E | 87.4 | Confident | 87.4 | Confident | 11 Ų | 11 | 45.2 Ų | 45.2 | 5% | 0.051 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -163.5 | 145.5 | -163.7 | -163.5 | 153.6 | -146.1 | 0 | 0 | 111.1 | R385 F464 R474 | R385-E462 IonicContact CZ-OE1 3.64Å; R385-E462 IonicContact NH1-OE1 2.78Å; R385-E462 PolarHBondContact NH1-OE1 3.29Å; R385-E462 IonicContact NH1-OE2 3.82Å; R385-E462 IonicContact NH2-OE1 2.68Å; R385-E462 PolarHBondContact NH2-OE1 3.27Å; E462-F464 HydrophobicContact CG-CE1 4.22Å; E462-F464 HydrophobicContact CG-CZ 4.04Å; E462-R474 HydrophobicContact CB-CB 4.05Å; E462-R474 WeakPolarHBondContact O-CB 3.35Å; E462-R474 PolarHBondContact O-N 3.27Å; E462-R474 IonicContact OE2-CZ 2.85Å; E462-R474 IonicContact OE2-NE 3.68Å; E462-R474 PolarHBondContact OE2-NE 3.07Å; E462-R474 IonicContact OE2-NH2 3.72Å; E462-R474 PolarHBondContact OE2-NH2 2.92Å |
| 463 | I | 92.2 | Very high | 87.7 | Confident | 1 Ų | 1 | 42.1 Ų | 42.1 | 1% | 0.005 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 139 | 174.3 | 58.5 | 171.2 | 0 | 0 | 0 | 110.3 | S424 V426 A434 L436 I442 L472 L473 | S424-I463 PolarHBondContact OG-O 3.46Å; V426-I463 HydrophobicContact CB-CD1 4.48Å; V426-I463 HydrophobicContact CG2-CD1 4.4Å; V426-I463 HydrophobicContact CG2-CG1 4.1Å; V426-I463 WeakPolarHBondContact CG2-O 3.44Å; A434-I463 HydrophobicContact CB-CD1 3.71Å; L436-I463 HydrophobicContact CB-CD1 4.4Å; L436-I463 HydrophobicContact CB-CG1 4.35Å; I442-I463 HydrophobicContact CD1-CG2 4.16Å; I463-L472 WeakPolarHBondContact CA-O 3.36Å; I463-L473 HydrophobicContact CG2-CD2 3.67Å |
| 464 | F | 92.3 | Very high | 87.9 | Confident | 27 Ų | 27 | 39.6 Ų | 39.6 | 12% | 0.118 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 165 | 171.8 | -51.8 | -78.6 | 0 | 0 | 0 | 111.1 | E462 G466 L472 R474 L479 V498 K499 V501 | E462-F464 HydrophobicContact CG-CE1 4.22Å; E462-F464 HydrophobicContact CG-CZ 4.04Å; F464-G466 PolarHBondContact O-N 3.38Å; F464-L472 HydrophobicContact CB-CB 4.12Å; F464-L472 PolarHBondContact N-O 3.4Å; F464-L472 PolarHBondContact O-N 3.08Å; F464-R474 HydrophobicContact CE2-CB 4.05Å; F464-L479 HydrophobicContact CD2-CD1 4.04Å; F464-L479 HydrophobicContact CE2-CD1 4.22Å; F464-V498 HydrophobicContact CE2-CG1 4.34Å; F464-K499 WeakPolarHBondContact CE1-O 3.12Å; F464-V501 HydrophobicContact CB-CG2 4.19Å; F464-V501 HydrophobicContact CD2-CG2 3.93Å; F464-V501 HydrophobicContact CE2-CG2 4.42Å; F464-V501 HydrophobicContact CG-CG2 4Å |
| 465 | Y | 91.6 | Very high | 87.8 | Confident | 91 Ų | 91 | 36.7 Ų | 36.7 | 36% | 0.357 | 19% | 0.193 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.3 | 120.2 | 177.2 | -175 | -111.8 | 0 | 0 | 0 | 111.2 | V426 W427 G467 P468 W503 M507 | V426-Y465 HydrophobicContact CG1-CD2 4.12Å; W427-Y465 WeakPolarHBondContact O-CD2 3.48Å; W427-Y465 WeakPolarHBondContact O-CE2 3.49Å; Y465-G467 WeakPolarHBondContact CE2-O 3.3Å; Y465-G467 VanDerWaalsContact CZ-CA 3.48Å; Y465-P468 WeakPolarHBondContact OH-CD 3.49Å; Y465-W503 PolarHBondContact O-NE1 3.05Å; Y465-M507 HydrophobicContact CD1-CE 4.15Å; Y465-M507 HydrophobicContact CE1-CE 3.75Å; Y465-M507 HydrophobicContact CE1-SD 4.07Å |
| 466 | G | 87.7 | Confident | 87.5 | Confident | 4 Ų | 4 | 39.1 Ų | 39.1 | 4% | 0.041 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | -4.7 | 174.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | F464 L470 | F464-G466 PolarHBondContact O-N 3.38Å; G466-L470 WeakPolarHBondContact CA-O 3.31Å; G466-L470 PolarHBondContact N-O 3.11Å |
| 467 | G | 86.7 | Confident | 87.5 | Confident | 3 Ų | 3 | 38.2 Ų | 38.2 | 3% | 0.031 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 122.6 | 179.3 | -171.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | Y465 G469 L470 | Y465-G467 WeakPolarHBondContact CE2-O 3.3Å; Y465-G467 VanDerWaalsContact CZ-CA 3.48Å; G467-G469 PolarHBondContact O-N 3.13Å; G467-L470 PolarHBondContact O-N 3.36Å; G467-L470 VanDerWaalsContact O-N 3.09Å |
| 468 | P | 87.6 | Confident | 87.7 | Confident | 103 Ų | 103 | 37.5 Ų | 37.5 | 67% | 0.669 | 21% | 0.207 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.9 | 122.3 | 175.2 | -20.8 | 33.1 | 0 | 0 | 0 | 110.5 | Y465 L470 | Y465-P468 WeakPolarHBondContact OH-CD 3.49Å; P468-L470 PolarHBondContact O-N 3.02Å |
| 469 | G | 87.7 | Confident | 88.4 | Confident | 11 Ų | 11 | 34.3 Ų | 34.3 | 11% | 0.113 | 19% | 0.186 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 78.4 | -7.6 | -176.6 | 0 | 0 | 0 | 0 | 0 | 116.1 | I428 G467 V484 | I428-G469 PolarHBondContact O-N 2.98Å; I428-G469 VanDerWaalsContact O-N 3.13Å; G467-G469 PolarHBondContact O-N 3.13Å; G469-V484 VanDerWaalsContact O-CB 3.32Å; G469-V484 WeakPolarHBondContact O-CB 3.15Å; G469-V484 WeakPolarHBondContact O-CG2 3.5Å; G469-V484 PolarHBondContact O-N 3.43Å; G469-V484 VanDerWaalsContact O-N 3.11Å |
| 470 | L | 91.6 | Very high | 88.9 | Confident | 30 Ų | 30 | 29.1 Ų | 29.1 | 16% | 0.157 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 138.2 | -171.1 | -59 | -178 | 0 | 0 | 0 | 112.5 | G466 G467 P468 L481 D483 L490 | G466-L470 WeakPolarHBondContact CA-O 3.31Å; G466-L470 PolarHBondContact N-O 3.11Å; G467-L470 PolarHBondContact O-N 3.36Å; G467-L470 VanDerWaalsContact O-N 3.09Å; P468-L470 PolarHBondContact O-N 3.02Å; L470-L481 HydrophobicContact CB-CD1 4.09Å; L470-L481 HydrophobicContact CD1-CD1 4.25Å; L470-D483 HydrophobicContact CD2-CB 4.02Å; L470-L490 HydrophobicContact CD1-CD1 4.41Å; L470-L490 HydrophobicContact CD2-CD1 3.63Å |
| 471 | L | 92.3 | Very high | 89.3 | Confident | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 148.3 | 173 | -69.1 | 177.9 | 0 | 0 | 0 | 111 | V426 I428 A434 I442 L473 L481 F482 V484 | V426-L471 HydrophobicContact CG1-CD2 4.44Å; I428-L471 HydrophobicContact CD1-CD1 4.2Å; I428-L471 HydrophobicContact CD1-CD2 4.15Å; I428-L471 HydrophobicContact CD1-CG 4.23Å; I428-L471 HydrophobicContact CG1-CD2 3.85Å; I428-L471 HydrophobicContact CG1-CG 4.31Å; A434-L471 HydrophobicContact CB-CD1 3.81Å; A434-L471 HydrophobicContact CB-CD2 4.31Å; I442-L471 HydrophobicContact CD1-CD1 3.98Å; I442-L471 HydrophobicContact CG2-CD1 4.22Å; L471-L473 HydrophobicContact CB-CD2 3.99Å; L471-L473 HydrophobicContact CD1-CD2 4.42Å; L471-L481 WeakPolarHBondContact O-CA 3.3Å; L471-F482 PolarHBondContact N-O 3.45Å; L471-F482 PolarHBondContact O-N 2.95Å; L471-V484 HydrophobicContact CB-CG2 4.42Å; L471-V484 HydrophobicContact CD1-CG2 3.78Å; L471-V484 HydrophobicContact CG-CG2 3.71Å |
| 472 | L | 92.9 | Very high | 89.8 | Confident | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 110.6 | 165.6 | -73.9 | 168.7 | 0 | 0 | 0 | 108.5 | I463 F464 L479 T480 L481 V501 W503 L525 | I463-L472 WeakPolarHBondContact CA-O 3.36Å; F464-L472 HydrophobicContact CB-CB 4.12Å; F464-L472 PolarHBondContact N-O 3.4Å; F464-L472 PolarHBondContact O-N 3.08Å; L472-L479 HydrophobicContact CB-CD1 4.17Å; L472-L479 HydrophobicContact CB-CD2 4.39Å; L472-L479 HydrophobicContact CB-CG 4.27Å; L472-L479 HydrophobicContact CD1-CD2 4.28Å; L472-L479 HydrophobicContact CD2-CD2 4.07Å; L472-L479 HydrophobicContact CD2-CG 4.19Å; L472-L479 HydrophobicContact CG-CD2 4.5Å; L472-T480 CarbonylContact C-O 3.45Å; L472-T480 WeakPolarHBondContact CA-O 3.17Å; L472-L481 HydrophobicContact CD2-CB 4.05Å; L472-L481 HydrophobicContact CD2-CD1 3.79Å; L472-L481 HydrophobicContact CG-CD1 4.21Å; L472-V501 HydrophobicContact CD1-CB 4.45Å; L472-V501 HydrophobicContact CD1-CG1 3.86Å; L472-V501 HydrophobicContact CD1-CG2 4.19Å; L472-W503 HydrophobicContact CD1-CZ2 3.92Å; L472-L525 HydrophobicContact CD2-CD1 4.06Å; L472-L525 HydrophobicContact CD2-CD2 4.01Å |
| 473 | L | 92.2 | Very high | 90 | Very high | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 120.8 | -179 | -50.7 | -173.7 | 0 | 0 | 0 | 109.6 | I442 V457 C460 I463 L471 Q475 L479 T480 F482 | I442-L473 HydrophobicContact CD1-CD2 3.62Å; V457-L473 HydrophobicContact CB-CD1 4.16Å; V457-L473 HydrophobicContact CG1-CD1 4.05Å; C460-L473 HydrophobicContact CB-CB 4.3Å; I463-L473 HydrophobicContact CG2-CD2 3.67Å; L471-L473 HydrophobicContact CB-CD2 3.99Å; L471-L473 HydrophobicContact CD1-CD2 4.42Å; L473-Q475 PolarHBondContact O-N 3.43Å; L473-L479 WeakPolarHBondContact O-CA 3.4Å; L473-T480 PolarHBondContact N-O 3.48Å; L473-T480 PolarHBondContact O-N 2.89Å; L473-F482 HydrophobicContact CD1-CB 3.72Å; L473-F482 HydrophobicContact CD1-CD2 4.02Å; L473-F482 HydrophobicContact CD1-CG 3.86Å; L473-F482 HydrophobicContact CD2-CB 4.41Å; L473-F482 HydrophobicContact CG-CB 3.82Å; L473-F482 HydrophobicContact CG-CG 4.43Å |
| 474 | R | 91 | Very high | 89.8 | Confident | 31 Ų | 31 | 27.9 Ų | 27.9 | 12% | 0.117 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.6 | 108.6 | 174.8 | -175.1 | 167.4 | 71.2 | 70.3 | -2.6 | 110.4 | C460 D461 E462 F464 L479 V498 | C460-R474 CarbonylContact C-O 3.48Å; C460-R474 VanDerWaalsContact CA-O 3.28Å; C460-R474 WeakPolarHBondContact CA-O 3.45Å; D461-R474 VanDerWaalsContact CB-CZ 3.42Å; D461-R474 VanDerWaalsContact CB-NH2 3.27Å; D461-R474 PolarHBondContact N-O 3.08Å; D461-R474 IonicContact OD2-CZ 2.89Å; D461-R474 IonicContact OD2-NH1 3.83Å; D461-R474 PolarHBondContact OD2-NH1 3.03Å; D461-R474 IonicContact OD2-NH2 3.49Å; E462-R474 HydrophobicContact CB-CB 4.05Å; E462-R474 WeakPolarHBondContact O-CB 3.35Å; E462-R474 PolarHBondContact O-N 3.27Å; E462-R474 IonicContact OE2-CZ 2.85Å; E462-R474 IonicContact OE2-NE 3.68Å; E462-R474 PolarHBondContact OE2-NE 3.07Å; E462-R474 IonicContact OE2-NH2 3.72Å; E462-R474 PolarHBondContact OE2-NH2 2.92Å; F464-R474 HydrophobicContact CE2-CB 4.05Å; R474-L479 HydrophobicContact CB-CD1 4.22Å; R474-V498 WeakPolarHBondContact CD-O 3.35Å; R474-V498 PolarHBondContact NE-O 3.33Å |
| 475 | Q | 87.3 | Confident | 89.5 | Confident | 47 Ų | 47 | 34.1 Ų | 34.1 | 22% | 0.22 | 18% | 0.182 | C | C | . | . | trans | -89.2 | 169.4 | 166.7 | -65.8 | 171.3 | -12.7 | 0 | 0 | 109.1 | L473 D477 G478 | L473-Q475 PolarHBondContact O-N 3.43Å; Q475-D477 VanDerWaalsContact C-N 3.3Å; Q475-D477 PolarHBondContact O-N 3.43Å; Q475-G478 PolarHBondContact N-O 3.33Å | ||
| 476 | P | 82.5 | Confident | 89.2 | Confident | 53 Ų | 53 | 36.3 Ų | 36.3 | 34% | 0.344 | 20% | 0.195 | S | C | . | . | S | Bend | trans | -57.2 | -41.5 | 177.8 | -28.7 | 37.3 | 0 | 0 | 0 | 113.6 | L459 | L459-P476 HydrophobicContact CD2-CG 4.28Š|
| 477 | D | 84.6 | Confident | 89.2 | Confident | 130 Ų | 130 | 41.7 Ų | 41.7 | 70% | 0.695 | 22% | 0.218 | S | C | * | . | S | Bend | trans | -107.6 | -5.6 | -171.3 | -60.2 | -40.5 | 0 | 0 | 0 | 114.4 | Q475 C495 | Q475-D477 VanDerWaalsContact C-N 3.3Å; Q475-D477 PolarHBondContact O-N 3.43Å; D477-C495 PolarHBondContact O-N 3.47Å |
| 478 | G | 88.4 | Confident | 89.3 | Confident | 9 Ų | 9 | 47 Ų | 47 | 9% | 0.093 | 24% | 0.241 | C | C | . | . | trans | -160.8 | 176.7 | -172.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | Q475 V493 | Q475-G478 PolarHBondContact N-O 3.33Å; G478-V493 CarbonylContact C-O 3.5Å; G478-V493 VanDerWaalsContact CA-O 3.26Å; G478-V493 WeakPolarHBondContact CA-O 3.49Å | ||
| 479 | L | 92.1 | Very high | 89.4 | Confident | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 125.3 | 175.9 | -169.3 | 76.8 | 0 | 0 | 0 | 108.7 | F464 L472 L473 R474 S492 V493 V501 L512 | F464-L479 HydrophobicContact CD2-CD1 4.04Å; F464-L479 HydrophobicContact CE2-CD1 4.22Å; L472-L479 HydrophobicContact CB-CD1 4.17Å; L472-L479 HydrophobicContact CB-CD2 4.39Å; L472-L479 HydrophobicContact CB-CG 4.27Å; L472-L479 HydrophobicContact CD1-CD2 4.28Å; L472-L479 HydrophobicContact CD2-CD2 4.07Å; L472-L479 HydrophobicContact CD2-CG 4.19Å; L472-L479 HydrophobicContact CG-CD2 4.5Å; L473-L479 WeakPolarHBondContact O-CA 3.4Å; R474-L479 HydrophobicContact CB-CD1 4.22Å; L479-S492 WeakPolarHBondContact O-CA 3.43Å; L479-V493 HydrophobicContact CB-CG1 3.97Å; L479-V493 PolarHBondContact N-O 3.18Å; L479-V493 PolarHBondContact O-N 2.75Å; L479-V501 HydrophobicContact CD2-CG2 4.24Å; L479-L512 HydrophobicContact CD2-CD1 4.07Å; L479-L512 HydrophobicContact CD2-CD2 3.66Å |
| 480 | T | 92 | Very high | 89.5 | Confident | 1 Ų | 1 | 49 Ų | 49 | 1% | 0.006 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 130.3 | -175.2 | -58.5 | 0 | 0 | 0 | 0 | 110.8 | L472 L473 E489 A491 | L472-T480 CarbonylContact C-O 3.45Å; L472-T480 WeakPolarHBondContact CA-O 3.17Å; L473-T480 PolarHBondContact N-O 3.48Å; L473-T480 PolarHBondContact O-N 2.89Å; T480-E489 HydrophobicContact CG2-CB 3.78Å; T480-E489 HydrophobicContact CG2-CG 3.67Å; T480-A491 CarbonylContact C-O 3.59Å; T480-A491 WeakPolarHBondContact CA-O 3.09Å |
| 481 | L | 93.2 | Very high | 89.5 | Confident | 9 Ų | 9 | 48.9 Ų | 48.9 | 5% | 0.047 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.4 | 118.8 | 171.2 | -175.3 | 67.3 | 0 | 0 | 0 | 109 | L470 L471 L472 E489 L490 A491 L525 | L470-L481 HydrophobicContact CB-CD1 4.09Å; L470-L481 HydrophobicContact CD1-CD1 4.25Å; L471-L481 WeakPolarHBondContact O-CA 3.3Å; L472-L481 HydrophobicContact CD2-CB 4.05Å; L472-L481 HydrophobicContact CD2-CD1 3.79Å; L472-L481 HydrophobicContact CG-CD1 4.21Å; L481-E489 CarbonylContact O-C 3.49Å; L481-L490 HydrophobicContact CB-CB 4.47Å; L481-L490 HydrophobicContact CD2-CB 4.12Å; L481-L490 HydrophobicContact CD2-CD1 4.19Å; L481-L490 HydrophobicContact CG-CB 4.25Å; L481-L490 HydrophobicContact CG-CD1 4.32Å; L481-L490 PolarHBondContact O-N 3.13Å; L481-A491 HydrophobicContact CB-CB 4.42Å; L481-A491 PolarHBondContact N-O 3.36Å; L481-L525 HydrophobicContact CB-CD1 3.72Å; L481-L525 HydrophobicContact CB-CG 4.29Å |
| 482 | F | 92 | Very high | 89.4 | Confident | 8 Ų | 8 | 53 Ų | 53 | 4% | 0.035 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 128.6 | -173.6 | -176.2 | -94.5 | 0 | 0 | 0 | 111.1 | I455 V457 L471 L473 V484 K487 E489 | I455-F482 HydrophobicContact CG2-CE1 4.02Å; I455-F482 HydrophobicContact CG2-CZ 3.84Å; V457-F482 HydrophobicContact CG1-CE1 4.26Å; V457-F482 HydrophobicContact CG1-CE2 4.11Å; V457-F482 HydrophobicContact CG1-CZ 3.9Å; L471-F482 PolarHBondContact N-O 3.45Å; L471-F482 PolarHBondContact O-N 2.95Å; L473-F482 HydrophobicContact CD1-CB 3.72Å; L473-F482 HydrophobicContact CD1-CD2 4.02Å; L473-F482 HydrophobicContact CD1-CG 3.86Å; L473-F482 HydrophobicContact CD2-CB 4.41Å; L473-F482 HydrophobicContact CG-CB 3.82Å; L473-F482 HydrophobicContact CG-CG 4.43Å; F482-V484 HydrophobicContact CD1-CG2 4.38Å; F482-K487 HydrophobicContact CZ-CB 4.17Å; F482-E489 HydrophobicContact CD2-CG 4.09Å |
| 483 | D | 91.9 | Very high | 89.4 | Confident | 22 Ų | 22 | 53.5 Ų | 53.5 | 12% | 0.118 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.7 | 116.7 | 172.3 | -171.7 | -48 | 0 | 0 | 0 | 110.3 | L470 Q485 Q486 K487 H488 L490 | L470-D483 HydrophobicContact CD2-CB 4.02Å; D483-Q485 VanDerWaalsContact C-N 3.34Å; D483-Q485 PolarHBondContact O-N 2.93Å; D483-Q485 WeakPolarHBondContact OD1-CA 3.43Å; D483-Q485 WeakPolarHBondContact OD1-CB 3.49Å; D483-Q485 PolarHBondContact OD1-N 3.42Å; D483-Q486 HydrophobicContact CB-CB 4.1Å; D483-Q486 HydrophobicContact CB-CG 4.46Å; D483-Q486 PolarHBondContact OD1-N 2.91Å; D483-K487 VanDerWaalsContact O-CA 3.22Å; D483-K487 WeakPolarHBondContact O-CA 3.3Å; D483-K487 PolarHBondContact O-N 3.34Å; D483-H488 PolarHBondContact N-O 2.84Å; D483-H488 PolarHBondContact O-N 3.22Å; D483-L490 HydrophobicContact CB-CD1 4.16Å; D483-L490 HydrophobicContact CB-CD2 4.32Å; D483-L490 HydrophobicContact CB-CG 4.15Å |
| 484 | V | 88.1 | Confident | 89.4 | Confident | 7 Ų | 7 | 62.7 Ų | 62.7 | 4% | 0.042 | 32% | 0.316 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72.7 | -26.6 | -176.7 | 177.2 | 0 | 0 | 0 | 0 | 112.8 | I428 L444 I455 G469 L471 F482 | I428-V484 HydrophobicContact CD1-CG1 4.18Å; I428-V484 HydrophobicContact CD1-CG2 3.98Å; L444-V484 HydrophobicContact CD1-CG1 3.41Å; L444-V484 VanDerWaalsContact CD1-CG1 3.41Å; L444-V484 HydrophobicContact CD2-CG1 3.63Å; L444-V484 HydrophobicContact CG-CG1 4.11Å; I455-V484 HydrophobicContact CD1-CG1 3.87Å; G469-V484 VanDerWaalsContact O-CB 3.32Å; G469-V484 WeakPolarHBondContact O-CB 3.15Å; G469-V484 WeakPolarHBondContact O-CG2 3.5Å; G469-V484 PolarHBondContact O-N 3.43Å; G469-V484 VanDerWaalsContact O-N 3.11Å; L471-V484 HydrophobicContact CB-CG2 4.42Å; L471-V484 HydrophobicContact CD1-CG2 3.78Å; L471-V484 HydrophobicContact CG-CG2 3.71Å; F482-V484 HydrophobicContact CD1-CG2 4.38Å |
| 485 | Q | 85.7 | Confident | 89.1 | Confident | 157 Ų | 157 | 61.7 Ų | 61.7 | 73% | 0.734 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.2 | -51.8 | 179.4 | -57.2 | -170.1 | 6.8 | 0 | 0 | 110.4 | D483 K487 | D483-Q485 VanDerWaalsContact C-N 3.34Å; D483-Q485 PolarHBondContact O-N 2.93Å; D483-Q485 WeakPolarHBondContact OD1-CA 3.43Å; D483-Q485 WeakPolarHBondContact OD1-CB 3.49Å; D483-Q485 PolarHBondContact OD1-N 3.42Å; Q485-K487 VanDerWaalsContact C-N 3.33Å |
| 486 | Q | 86.8 | Confident | 88.8 | Confident | 137 Ų | 137 | 62.8 Ų | 62.8 | 64% | 0.64 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.9 | -18.9 | -179.2 | -58.2 | -175.3 | 2.9 | 0 | 0 | 113.2 | D483 H488 | D483-Q486 HydrophobicContact CB-CB 4.1Å; D483-Q486 HydrophobicContact CB-CG 4.46Å; D483-Q486 PolarHBondContact OD1-N 2.91Å; Q486-H488 VanDerWaalsContact C-N 3.33Å; Q486-H488 HydrophobicContact CB-CB 4.28Å |
| 487 | K | 86.6 | Confident | 88.9 | Confident | 117 Ų | 117 | 67 Ų | 67 | 51% | 0.509 | 34% | 0.34 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 58.7 | 38.2 | -171.3 | -55 | -179 | 175.3 | -176.2 | 0 | 113.3 | F482 D483 Q485 | F482-K487 HydrophobicContact CZ-CB 4.17Å; D483-K487 VanDerWaalsContact O-CA 3.22Å; D483-K487 WeakPolarHBondContact O-CA 3.3Å; D483-K487 PolarHBondContact O-N 3.34Å; Q485-K487 VanDerWaalsContact C-N 3.33Å |
| 488 | H | 88.7 | Confident | 89.1 | Confident | 115 Ų | 115 | 60.9 Ų | 60.9 | 53% | 0.532 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 149.3 | -172.6 | -169.9 | -90.1 | 0 | 0 | 0 | 112.3 | D483 Q486 | D483-H488 PolarHBondContact N-O 2.84Å; D483-H488 PolarHBondContact O-N 3.22Å; Q486-H488 VanDerWaalsContact C-N 3.33Å; Q486-H488 HydrophobicContact CB-CB 4.28Å |
| 489 | E | 89.4 | Confident | 89.1 | Confident | 75 Ų | 75 | 64.8 Ų | 64.8 | 35% | 0.35 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.4 | 115.1 | 175.1 | -60.8 | -169 | 167.1 | 0 | 0 | 110 | T480 L481 F482 | T480-E489 HydrophobicContact CG2-CB 3.78Å; T480-E489 HydrophobicContact CG2-CG 3.67Å; L481-E489 CarbonylContact O-C 3.49Å; F482-E489 HydrophobicContact CD2-CG 4.09Å |
| 490 | L | 90.6 | Very high | 89 | Confident | 82 Ų | 82 | 67.8 Ų | 67.8 | 43% | 0.429 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83 | -36 | -177.2 | -63.8 | -179.3 | 0 | 0 | 0 | 113 | L470 L481 D483 | L470-L490 HydrophobicContact CD1-CD1 4.41Å; L470-L490 HydrophobicContact CD2-CD1 3.63Å; L481-L490 HydrophobicContact CB-CB 4.47Å; L481-L490 HydrophobicContact CD2-CB 4.12Å; L481-L490 HydrophobicContact CD2-CD1 4.19Å; L481-L490 HydrophobicContact CG-CB 4.25Å; L481-L490 HydrophobicContact CG-CD1 4.32Å; L481-L490 PolarHBondContact O-N 3.13Å; D483-L490 HydrophobicContact CB-CD1 4.16Å; D483-L490 HydrophobicContact CB-CD2 4.32Å; D483-L490 HydrophobicContact CB-CG 4.15Å |
| 491 | A | 91.1 | Very high | 89 | Confident | 26 Ų | 26 | 69 Ų | 69 | 22% | 0.215 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -163.3 | 158.6 | -179 | 0 | 0 | 0 | 0 | 0 | 110.3 | T480 L481 R524 L525 | T480-A491 CarbonylContact C-O 3.59Å; T480-A491 WeakPolarHBondContact CA-O 3.09Å; L481-A491 HydrophobicContact CB-CB 4.42Å; L481-A491 PolarHBondContact N-O 3.36Å; A491-R524 VanDerWaalsContact CB-O 3.27Å; A491-R524 WeakPolarHBondContact CB-O 3.22Å; A491-L525 HydrophobicContact CB-CB 4.08Å; A491-L525 HydrophobicContact CB-CD1 4.19Å; A491-L525 HydrophobicContact CB-CG 4.3Å |
| 492 | S | 91.4 | Very high | 89 | Confident | 86 Ų | 86 | 70.3 Ų | 70.3 | 60% | 0.601 | 35% | 0.349 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -140.1 | 151 | 172.6 | 63 | 0 | 0 | 0 | 0 | 111.8 | L479 | L479-S492 WeakPolarHBondContact O-CA 3.43Å |
| 493 | V | 92.3 | Very high | 89 | Confident | 12 Ų | 12 | 71.8 Ų | 71.8 | 7% | 0.073 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 134.5 | 176 | 63.5 | 0 | 0 | 0 | 0 | 110.8 | G478 L479 C495 L512 M519 V521 L525 | G478-V493 CarbonylContact C-O 3.5Å; G478-V493 VanDerWaalsContact CA-O 3.26Å; G478-V493 WeakPolarHBondContact CA-O 3.49Å; L479-V493 HydrophobicContact CB-CG1 3.97Å; L479-V493 PolarHBondContact N-O 3.18Å; L479-V493 PolarHBondContact O-N 2.75Å; V493-C495 PolarHBondContact O-N 2.91Å; V493-C495 VanDerWaalsContact O-N 3.12Å; V493-L512 HydrophobicContact CG1-CD1 3.84Å; V493-M519 HydrophobicContact CG2-SD 3.67Å; V493-V521 HydrophobicContact CG2-CG1 4.31Å; V493-L525 HydrophobicContact CB-CB 4.22Å; V493-L525 HydrophobicContact CG1-CB 4.32Å; V493-L525 HydrophobicContact CG1-CD1 4.24Å; V493-L525 HydrophobicContact CG1-CD2 4.32Å |
| 494 | K | 90.9 | Very high | 89 | Confident | 193 Ų | 193 | 71.4 Ų | 71.4 | 84% | 0.839 | 35% | 0.353 | S | S | * | . | trans | -76.6 | 97.2 | 176.9 | -66.3 | -173.9 | 179.6 | -177.5 | 0 | 109.8 | ||||
| 495 | C | 85 | Confident | 88.9 | Confident | 10 Ų | 10 | 76.5 Ų | 76.5 | 7% | 0.068 | 40% | 0.396 | C | S | . | . | trans | -146.9 | 108.2 | 174.2 | -168.1 | 0 | 0 | 0 | 0 | 109.6 | D477 V493 V498 L512 M519 | D477-C495 PolarHBondContact O-N 3.47Å; V493-C495 PolarHBondContact O-N 2.91Å; V493-C495 VanDerWaalsContact O-N 3.12Å; C495-V498 HydrophobicContact CB-CG2 3.85Å; C495-V498 VanDerWaalsContact SG-CG2 3.58Å; C495-L512 HydrophobicContact CB-CD1 4.45Å; C495-M519 HydrophobicContact CB-CE 4.36Å; C495-M519 HydrophobicContact CB-SD 4.14Å | ||
| 496 | S | 82.4 | Confident | 89 | Confident | 69 Ų | 69 | 74 Ų | 74 | 48% | 0.483 | 39% | 0.387 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.4 | 139.5 | -174.9 | 63 | 0 | 0 | 0 | 0 | 112.1 | V498 S514 | S496-V498 VanDerWaalsContact C-N 3.3Å; S496-V498 PolarHBondContact O-N 3.25Å; S496-S514 PolarHBondContact O-OG 3.17Å |
| 497 | K | 83.7 | Confident | 89 | Confident | 143 Ų | 143 | 69.4 Ų | 69.4 | 62% | 0.622 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54 | 40.3 | 169.8 | -59.5 | 172.9 | -177.3 | 171.3 | 0 | 114 | K499 | K497-K499 WeakPolarHBondContact O-CG 3.22Å; K497-K499 PolarHBondContact O-N 3.27Å |
| 498 | V | 89.3 | Confident | 89.2 | Confident | 1 Ų | 1 | 65.5 Ų | 65.5 | 1% | 0.006 | 35% | 0.354 | C | S | . | . | trans | -52.9 | 133.7 | 168.1 | 178.6 | 0 | 0 | 0 | 0 | 109.3 | F464 R474 C495 S496 V501 L512 S514 | F464-V498 HydrophobicContact CE2-CG1 4.34Å; R474-V498 WeakPolarHBondContact CD-O 3.35Å; R474-V498 PolarHBondContact NE-O 3.33Å; C495-V498 HydrophobicContact CB-CG2 3.85Å; C495-V498 VanDerWaalsContact SG-CG2 3.58Å; S496-V498 VanDerWaalsContact C-N 3.3Å; S496-V498 PolarHBondContact O-N 3.25Å; V498-V501 HydrophobicContact CG1-CG2 4.09Å; V498-L512 HydrophobicContact CG1-CB 4.27Å; V498-L512 HydrophobicContact CG2-CB 4.32Å; V498-S514 WeakPolarHBondContact CA-OG 3.19Å; V498-S514 PolarHBondContact N-OG 3.14Å | ||
| 499 | K | 87.4 | Confident | 89.4 | Confident | 91 Ų | 91 | 60.5 Ų | 60.5 | 40% | 0.396 | 33% | 0.331 | S | S | . | . | trans | -112.2 | -28.7 | -176.1 | -59.1 | -171.5 | 176.7 | -175.5 | 0 | 113.4 | F464 K497 L513 | F464-K499 WeakPolarHBondContact CE1-O 3.12Å; K497-K499 WeakPolarHBondContact O-CG 3.22Å; K497-K499 PolarHBondContact O-N 3.27Å; K499-L513 WeakPolarHBondContact CB-O 3.46Å; K499-L513 PolarHBondContact N-O 2.87Å | ||
| 500 | Y | 90.3 | Very high | 89.6 | Confident | 62 Ų | 62 | 57 Ų | 57 | 24% | 0.243 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.2 | 144.9 | -179.5 | -50.7 | -82.9 | 0 | 0 | 0 | 108.3 | L513 | Y500-L513 HydrophobicContact CD2-CB 4.49Å; Y500-L513 PolarHBondContact N-O 3.22Å; Y500-L513 PolarHBondContact O-N 3.41Å |
| 501 | V | 92.8 | Very high | 89.8 | Confident | 28 Ų | 28 | 53 Ų | 53 | 17% | 0.17 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 129.6 | 171.2 | -180 | 0 | 0 | 0 | 0 | 106.8 | F464 L472 L479 V498 A510 A511 L512 | F464-V501 HydrophobicContact CB-CG2 4.19Å; F464-V501 HydrophobicContact CD2-CG2 3.93Å; F464-V501 HydrophobicContact CE2-CG2 4.42Å; F464-V501 HydrophobicContact CG-CG2 4Å; L472-V501 HydrophobicContact CD1-CB 4.45Å; L472-V501 HydrophobicContact CD1-CG1 3.86Å; L472-V501 HydrophobicContact CD1-CG2 4.19Å; L479-V501 HydrophobicContact CD2-CG2 4.24Å; V498-V501 HydrophobicContact CG1-CG2 4.09Å; V501-A510 HydrophobicContact CG1-CB 4.1Å; V501-A511 WeakPolarHBondContact CA-O 3.27Å; V501-L512 HydrophobicContact CB-CD2 4.41Å; V501-L512 HydrophobicContact CG1-CD2 3.95Å; V501-L512 HydrophobicContact CG2-CD2 3.86Å |
| 502 | V | 93.1 | Very high | 90 | Very high | 36 Ų | 36 | 51.8 Ų | 51.8 | 22% | 0.218 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 106.6 | 178.7 | -173.7 | 0 | 0 | 0 | 0 | 108.8 | A510 A511 L513 W542 F548 | V502-A510 WeakPolarHBondContact O-CA 3.3Å; V502-A511 HydrophobicContact CB-CB 4.5Å; V502-A511 PolarHBondContact N-O 3.05Å; V502-A511 PolarHBondContact O-N 3.28Å; V502-L513 HydrophobicContact CG2-CD1 4.16Å; V502-W542 PolarHBondContact O-NE1 2.62Å; V502-F548 HydrophobicContact CB-CE2 4.06Å; V502-F548 HydrophobicContact CB-CZ 4.43Å; V502-F548 HydrophobicContact CG1-CE2 4.07Å |
| 503 | W | 92.1 | Very high | 90.1 | Very high | 39 Ų | 39 | 47.9 Ų | 47.9 | 15% | 0.148 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.3 | 149.1 | 176.1 | -71.3 | 99.8 | 0 | 0 | 0 | 111.8 | Y465 L472 M507 A510 K523 W542 | Y465-W503 PolarHBondContact O-NE1 3.05Å; L472-W503 HydrophobicContact CD1-CZ2 3.92Å; W503-M507 HydrophobicContact CD2-CE 3.72Å; W503-M507 HydrophobicContact CE3-CB 4.12Å; W503-M507 HydrophobicContact CE3-CE 4.17Å; W503-M507 HydrophobicContact CG-CE 3.88Å; W503-M507 HydrophobicContact CZ2-CE 4.37Å; W503-A510 HydrophobicContact CD2-CB 3.82Å; W503-A510 HydrophobicContact CE3-CB 3.67Å; W503-A510 HydrophobicContact CG-CB 4.47Å; W503-A510 HydrophobicContact CH2-CB 4.18Å; W503-A510 HydrophobicContact CZ2-CB 4.32Å; W503-A510 HydrophobicContact CZ3-CB 3.85Å; W503-K523 HydrophobicContact CZ3-CB 4.44Å; W503-K523 HydrophobicContact CZ3-CG 4.47Å; W503-W542 VanDerWaalsContact C-CD1 3.45Å; W503-W542 VanDerWaalsContact O-CD1 3.24Å |
| 504 | S | 91.2 | Very high | 90 | Very high | 13 Ų | 13 | 47.7 Ų | 47.7 | 9% | 0.091 | 26% | 0.256 | C | S | . | . | trans | -64.4 | 160.8 | 162.3 | 62.3 | 0 | 0 | 0 | 0 | 110.6 | D506 M507 S508 V509 | S504-D506 WeakPolarHBondContact CB-OD1 3.47Å; S504-D506 PolarHBondContact O-N 3.28Å; S504-D506 PolarHBondContact OG-OD1 2.77Å; S504-M507 PolarHBondContact O-N 2.78Å; S504-M507 PolarHBondContact OG-N 2.77Å; S504-S508 PolarHBondContact OG-N 2.98Å; S504-S508 PolarHBondContact OG-OG 3.32Å; S504-V509 PolarHBondContact N-O 2.9Å; S504-V509 PolarHBondContact OG-N 3.31Å; S504-V509 VanDerWaalsContact OG-N 3.12Å; S504-V509 PolarHBondContact OG-O 3.35Å | ||
| 505 | A | 85.9 | Confident | 89.9 | Confident | 115 Ų | 115 | 43 Ų | 43 | 95% | 0.95 | 24% | 0.236 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64.2 | -25.2 | -173.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||
| 506 | D | 87.4 | Confident | 90.1 | Very high | 103 Ų | 103 | 44.6 Ų | 44.6 | 55% | 0.551 | 24% | 0.242 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -95.8 | -3.9 | 176.8 | 66.4 | -26.7 | 0 | 0 | 0 | 113.6 | S504 S508 | S504-D506 WeakPolarHBondContact CB-OD1 3.47Å; S504-D506 PolarHBondContact O-N 3.28Å; S504-D506 PolarHBondContact OG-OD1 2.77Å; D506-S508 VanDerWaalsContact C-N 3.26Å; D506-S508 PolarHBondContact O-N 2.8Å; D506-S508 PolarHBondContact OD1-N 2.89Å; D506-S508 PolarHBondContact OD1-OG 3.48Å; D506-S508 WeakPolarHBondContact OD2-CB 3.43Å; D506-S508 PolarHBondContact OD2-OG 3.21Å |
| 507 | M | 87.8 | Confident | 90.5 | Very high | 41 Ų | 41 | 42.8 Ų | 42.8 | 20% | 0.202 | 23% | 0.229 | C | C | . | . | S | Bend | trans | 58.2 | 26.7 | -174 | -52.4 | -165.4 | 68.2 | 0 | 0 | 115.5 | Y465 W503 S504 K523 | Y465-M507 HydrophobicContact CD1-CE 4.15Å; Y465-M507 HydrophobicContact CE1-CE 3.75Å; Y465-M507 HydrophobicContact CE1-SD 4.07Å; W503-M507 HydrophobicContact CD2-CE 3.72Å; W503-M507 HydrophobicContact CE3-CB 4.12Å; W503-M507 HydrophobicContact CE3-CE 4.17Å; W503-M507 HydrophobicContact CG-CE 3.88Å; W503-M507 HydrophobicContact CZ2-CE 4.37Å; S504-M507 PolarHBondContact O-N 2.78Å; S504-M507 PolarHBondContact OG-N 2.77Å; M507-K523 WeakPolarHBondContact O-CD 3.26Å |
| 508 | S | 91 | Very high | 91 | Very high | 35 Ų | 35 | 36 Ų | 36 | 25% | 0.245 | 20% | 0.199 | C | C | . | . | S | Bend | trans | -74.8 | -35.6 | 171.9 | 56.6 | 0 | 0 | 0 | 0 | 112.8 | S504 D506 N522 K523 | S504-S508 PolarHBondContact OG-N 2.98Å; S504-S508 PolarHBondContact OG-OG 3.32Å; D506-S508 VanDerWaalsContact C-N 3.26Å; D506-S508 PolarHBondContact O-N 2.8Å; D506-S508 PolarHBondContact OD1-N 2.89Å; D506-S508 PolarHBondContact OD1-OG 3.48Å; D506-S508 WeakPolarHBondContact OD2-CB 3.43Å; D506-S508 PolarHBondContact OD2-OG 3.21Å; S508-N522 CarbonylContact O-C 3.59Å; S508-N522 WeakPolarHBondContact O-CA 3.3Å; S508-K523 PolarHBondContact O-N 2.89Å |
| 509 | V | 93.1 | Very high | 91.2 | Very high | 10 Ų | 10 | 36.8 Ų | 36.8 | 6% | 0.061 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 147.1 | -172.4 | -172.9 | 0 | 0 | 0 | 0 | 110.9 | S504 I520 V521 L528 W542 | S504-V509 PolarHBondContact N-O 2.9Å; S504-V509 PolarHBondContact OG-N 3.31Å; S504-V509 VanDerWaalsContact OG-N 3.12Å; S504-V509 PolarHBondContact OG-O 3.35Å; V509-I520 HydrophobicContact CG1-CG2 3.32Å; V509-V521 CarbonylContact C-O 3.6Å; V509-V521 WeakPolarHBondContact CA-O 3.32Å; V509-V521 WeakPolarHBondContact CG1-O 3.45Å; V509-L528 HydrophobicContact CG1-CD1 4.04Å; V509-L528 HydrophobicContact CG2-CD1 4.17Å; V509-W542 HydrophobicContact CB-CH2 4.19Å; V509-W542 HydrophobicContact CB-CZ2 4.29Å; V509-W542 HydrophobicContact CG1-CH2 3.41Å; V509-W542 VanDerWaalsContact CG1-CH2 3.41Å; V509-W542 HydrophobicContact CG1-CZ2 3.69Å; V509-W542 HydrophobicContact CG1-CZ3 4.28Å |
| 510 | A | 93.6 | Very high | 91.6 | Very high | 1 Ų | 1 | 32.4 Ų | 32.4 | 1% | 0.008 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 139.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112 | V501 V502 W503 I520 V521 | V501-A510 HydrophobicContact CG1-CB 4.1Å; V502-A510 WeakPolarHBondContact O-CA 3.3Å; W503-A510 HydrophobicContact CD2-CB 3.82Å; W503-A510 HydrophobicContact CE3-CB 3.67Å; W503-A510 HydrophobicContact CG-CB 4.47Å; W503-A510 HydrophobicContact CH2-CB 4.18Å; W503-A510 HydrophobicContact CZ2-CB 4.32Å; W503-A510 HydrophobicContact CZ3-CB 3.85Å; A510-I520 WeakPolarHBondContact O-CA 3.34Å; A510-V521 HydrophobicContact CB-CG2 3.97Å; A510-V521 PolarHBondContact N-O 2.66Å; A510-V521 PolarHBondContact O-N 2.99Å |
| 511 | A | 94.9 | Very high | 91.8 | Very high | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 119.3 | 170.1 | 0 | 0 | 0 | 0 | 0 | 110.1 | V501 V502 L513 L518 W542 F548 | V501-A511 WeakPolarHBondContact CA-O 3.27Å; V502-A511 HydrophobicContact CB-CB 4.5Å; V502-A511 PolarHBondContact N-O 3.05Å; V502-A511 PolarHBondContact O-N 3.28Å; A511-L513 HydrophobicContact CB-CD2 4.4Å; A511-L518 HydrophobicContact CB-CD1 4.08Å; A511-W542 HydrophobicContact CB-CZ2 3.88Å; A511-F548 HydrophobicContact CB-CD1 4.01Å; A511-F548 HydrophobicContact CB-CD2 3.72Å; A511-F548 HydrophobicContact CB-CE1 3.74Å; A511-F548 HydrophobicContact CB-CE2 3.44Å; A511-F548 VanDerWaalsContact CB-CE2 3.44Å; A511-F548 HydrophobicContact CB-CG 3.99Å; A511-F548 HydrophobicContact CB-CZ 3.44Å; A511-F548 VanDerWaalsContact CB-CZ 3.44Å |
| 512 | L | 94.6 | Very high | 91.8 | Very high | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 116.7 | 177.1 | -48.6 | -176.8 | 0 | 0 | 0 | 109.2 | L479 V493 C495 V498 V501 M519 V521 | L479-L512 HydrophobicContact CD2-CD1 4.07Å; L479-L512 HydrophobicContact CD2-CD2 3.66Å; V493-L512 HydrophobicContact CG1-CD1 3.84Å; C495-L512 HydrophobicContact CB-CD1 4.45Å; V498-L512 HydrophobicContact CG1-CB 4.27Å; V498-L512 HydrophobicContact CG2-CB 4.32Å; V501-L512 HydrophobicContact CB-CD2 4.41Å; V501-L512 HydrophobicContact CG1-CD2 3.95Å; V501-L512 HydrophobicContact CG2-CD2 3.86Å; L512-M519 HydrophobicContact CB-CB 4.31Å; L512-M519 HydrophobicContact CD1-SD 4.25Å; L512-M519 PolarHBondContact N-O 3.47Å; L512-M519 PolarHBondContact O-N 2.72Å; L512-M519 VanDerWaalsContact O-N 3.11Å; L512-V521 HydrophobicContact CD1-CG1 3.84Å; L512-V521 HydrophobicContact CD1-CG2 4.18Å; L512-V521 HydrophobicContact CD2-CG2 4.26Å; L512-V521 HydrophobicContact CG-CG1 4.36Å; L512-V521 HydrophobicContact CG-CG2 4.14Å |
| 513 | L | 93.8 | Very high | 91.7 | Very high | 3 Ų | 3 | 34.2 Ų | 34.2 | 2% | 0.016 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 102.9 | -174.6 | -51.3 | -171.1 | 0 | 0 | 0 | 111.4 | K499 Y500 V502 A511 L518 V537 F548 | K499-L513 WeakPolarHBondContact CB-O 3.46Å; K499-L513 PolarHBondContact N-O 2.87Å; Y500-L513 HydrophobicContact CD2-CB 4.49Å; Y500-L513 PolarHBondContact N-O 3.22Å; Y500-L513 PolarHBondContact O-N 3.41Å; V502-L513 HydrophobicContact CG2-CD1 4.16Å; A511-L513 HydrophobicContact CB-CD2 4.4Å; L513-L518 HydrophobicContact CD2-CD1 3.48Å; L513-L518 VanDerWaalsContact CD2-CD1 3.48Å; L513-V537 HydrophobicContact CD2-CG1 4.26Å; L513-F548 HydrophobicContact CD2-CE1 3.82Å; L513-F548 HydrophobicContact CD2-CZ 3.9Å |
| 514 | S | 91 | Very high | 91.5 | Very high | 9 Ų | 9 | 41.3 Ų | 41.3 | 6% | 0.063 | 22% | 0.217 | C | C | . | . | trans | -95.1 | -173.3 | 171.8 | -74.1 | 0 | 0 | 0 | 0 | 111.6 | S496 V498 H516 C517 | S496-S514 PolarHBondContact O-OG 3.17Å; V498-S514 WeakPolarHBondContact CA-OG 3.19Å; V498-S514 PolarHBondContact N-OG 3.14Å; S514-H516 PolarHBondContact O-N 3.36Å; S514-C517 PolarHBondContact N-O 2.99Å | ||
| 515 | K | 87.4 | Confident | 91.5 | Very high | 95 Ų | 95 | 41 Ų | 41 | 41% | 0.413 | 21% | 0.214 | S | C | . | . | S | Bend | trans | -60.9 | -41.6 | -176.7 | -172.6 | -166.3 | 167.6 | -137.8 | 0 | 112.8 | R536 V537 | K515-R536 HydrophobicContact CG-CG 4.23Å; K515-R536 VanDerWaalsContact O-CA 3.24Å; K515-R536 WeakPolarHBondContact O-CA 3.5Å; K515-V537 PolarHBondContact O-N 2.96Å |
| 516 | H | 89.6 | Confident | 91.8 | Very high | 43 Ų | 43 | 40.8 Ų | 40.8 | 20% | 0.199 | 19% | 0.193 | C | C | . | . | S | Bend | trans | -139.9 | 6.6 | -175.5 | -69.4 | -81.7 | 0 | 0 | 0 | 112.4 | S514 H532 E533 S534 | S514-H516 PolarHBondContact O-N 3.36Å; H516-H532 CarbonylContact O-C 3.18Å; H516-H532 WeakPolarHBondContact O-CA 3.18Å; H516-H532 PolarHBondContact O-CD2 3.36Å; H516-H532 VanDerWaalsContact O-CD2 3.28Å; H516-E533 WeakPolarHBondContact CB-O 3.35Å; H516-E533 PolarHBondContact ND1-O 3.22Å; H516-E533 PolarHBondContact O-N 2.78Å; H516-S534 PolarHBondContact CE1-O 3.16Å; H516-S534 PolarHBondContact ND1-O 3.39Å; H516-S534 VanDerWaalsContact ND1-O 3.14Å |
| 517 | C | 91.4 | Very high | 92 | Very high | 30 Ų | 30 | 39.3 Ų | 39.3 | 20% | 0.203 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 136.6 | -179.3 | -176.6 | 0 | 0 | 0 | 0 | 108.7 | S514 | S514-C517 PolarHBondContact N-O 2.99Å |
| 518 | L | 93.4 | Very high | 92.2 | Very high | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 116.3 | 171.6 | 164.4 | 59.7 | 0 | 0 | 0 | 106.5 | A511 L513 T531 F548 Y550 L559 | A511-L518 HydrophobicContact CB-CD1 4.08Å; L513-L518 HydrophobicContact CD2-CD1 3.48Å; L513-L518 VanDerWaalsContact CD2-CD1 3.48Å; L518-T531 PolarHBondContact N-O 2.83Å; L518-T531 PolarHBondContact O-N 2.87Å; L518-F548 HydrophobicContact CD1-CD1 3.79Å; L518-F548 HydrophobicContact CD1-CE1 3.57Å; L518-F548 HydrophobicContact CD2-CD1 3.94Å; L518-F548 HydrophobicContact CD2-CE1 4.18Å; L518-Y550 HydrophobicContact CD2-CD1 3.57Å; L518-Y550 HydrophobicContact CD2-CD2 4.21Å; L518-Y550 HydrophobicContact CD2-CE1 3.48Å; L518-Y550 VanDerWaalsContact CD2-CE1 3.48Å; L518-Y550 HydrophobicContact CD2-CE2 4.13Å; L518-Y550 HydrophobicContact CD2-CG 3.94Å; L518-L559 HydrophobicContact CD2-CB 4.37Å; L518-L559 HydrophobicContact CD2-CD2 3.54Å; L518-L559 HydrophobicContact CG-CD2 3.83Å |
| 519 | M | 93.6 | Very high | 92.3 | Very high | 18 Ų | 18 | 39.6 Ų | 39.6 | 9% | 0.089 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 129 | 179 | -178.7 | -177.8 | -77.3 | 0 | 0 | 109.2 | V493 C495 L512 V521 T527 | V493-M519 HydrophobicContact CG2-SD 3.67Å; C495-M519 HydrophobicContact CB-CE 4.36Å; C495-M519 HydrophobicContact CB-SD 4.14Å; L512-M519 HydrophobicContact CB-CB 4.31Å; L512-M519 HydrophobicContact CD1-SD 4.25Å; L512-M519 PolarHBondContact N-O 3.47Å; L512-M519 PolarHBondContact O-N 2.72Å; L512-M519 VanDerWaalsContact O-N 3.11Å; M519-V521 HydrophobicContact CG-CG1 3.98Å; M519-V521 HydrophobicContact SD-CG1 4.08Å; M519-T527 HydrophobicContact CE-CG2 4.47Å; M519-T527 HydrophobicContact CG-CG2 3.89Å; M519-T527 HydrophobicContact SD-CG2 4.23Å |
| 520 | I | 94.9 | Very high | 92.3 | Very high | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 127.1 | 173.8 | -62.3 | -175.8 | 0 | 0 | 0 | 107.8 | V509 A510 L528 C529 W542 F548 L559 | V509-I520 HydrophobicContact CG1-CG2 3.32Å; A510-I520 WeakPolarHBondContact O-CA 3.34Å; I520-L528 HydrophobicContact CG2-CB 4.18Å; I520-L528 HydrophobicContact CG2-CD1 4.15Å; I520-L528 PolarHBondContact O-N 2.89Å; I520-C529 PolarHBondContact N-O 3.47Å; I520-C529 PolarHBondContact O-N 3.11Å; I520-W542 HydrophobicContact CD1-CH2 3.88Å; I520-W542 HydrophobicContact CD1-CZ3 4.45Å; I520-W542 HydrophobicContact CG1-CH2 4.24Å; I520-W542 HydrophobicContact CG2-CH2 3.8Å; I520-W542 HydrophobicContact CG2-CZ2 4.42Å; I520-F548 HydrophobicContact CD1-CB 4.19Å; I520-L559 HydrophobicContact CD1-CD2 3.74Å; I520-L559 HydrophobicContact CD1-CG 3.94Å; I520-L559 HydrophobicContact CG1-CD2 4.16Å |
| 521 | V | 94.4 | Very high | 92.2 | Very high | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 150.1 | 178.5 | -57.6 | 0 | 0 | 0 | 0 | 110.4 | V493 V509 A510 L512 M519 L525 H526 | V493-V521 HydrophobicContact CG2-CG1 4.31Å; V509-V521 CarbonylContact C-O 3.6Å; V509-V521 WeakPolarHBondContact CA-O 3.32Å; V509-V521 WeakPolarHBondContact CG1-O 3.45Å; A510-V521 HydrophobicContact CB-CG2 3.97Å; A510-V521 PolarHBondContact N-O 2.66Å; A510-V521 PolarHBondContact O-N 2.99Å; L512-V521 HydrophobicContact CD1-CG1 3.84Å; L512-V521 HydrophobicContact CD1-CG2 4.18Å; L512-V521 HydrophobicContact CD2-CG2 4.26Å; L512-V521 HydrophobicContact CG-CG1 4.36Å; L512-V521 HydrophobicContact CG-CG2 4.14Å; M519-V521 HydrophobicContact CG-CG1 3.98Å; M519-V521 HydrophobicContact SD-CG1 4.08Å; V521-L525 HydrophobicContact CG2-CD2 3.83Å; V521-H526 CarbonylContact C-O 3.57Å; V521-H526 VanDerWaalsContact CA-O 3.24Å; V521-H526 WeakPolarHBondContact CA-O 3.46Å |
| 522 | N | 93.6 | Very high | 92 | Very high | 42 Ų | 42 | 50.7 Ų | 50.7 | 23% | 0.225 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.2 | 175.8 | 168.8 | 71.4 | 18.7 | 0 | 0 | 0 | 111.8 | S508 R524 L525 H526 L528 | S508-N522 CarbonylContact O-C 3.59Å; S508-N522 WeakPolarHBondContact O-CA 3.3Å; N522-R524 PolarHBondContact O-N 3.48Å; N522-R524 WeakPolarHBondContact OD1-CA 3.4Å; N522-R524 PolarHBondContact OD1-N 3.13Å; N522-L525 WeakPolarHBondContact O-CA 3.25Å; N522-L525 PolarHBondContact O-N 2.82Å; N522-L525 PolarHBondContact OD1-N 2.84Å; N522-H526 PolarHBondContact N-O 2.6Å; N522-H526 PolarHBondContact OD1-N 3.2Å; N522-H526 VanDerWaalsContact OD1-N 3.1Å; N522-L528 HydrophobicContact CB-CD1 4.18Å; N522-L528 HydrophobicContact CB-CD2 4.33Å; N522-L528 HydrophobicContact CB-CG 4.41Å |
| 523 | K | 90.1 | Very high | 91.8 | Very high | 121 Ų | 121 | 51.3 Ų | 51.3 | 53% | 0.526 | 25% | 0.251 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.7 | -23 | 178.1 | -169.3 | 177.3 | -178.2 | 175.1 | 0 | 115.1 | W503 M507 S508 | W503-K523 HydrophobicContact CZ3-CB 4.44Å; W503-K523 HydrophobicContact CZ3-CG 4.47Å; M507-K523 WeakPolarHBondContact O-CD 3.26Å; S508-K523 PolarHBondContact O-N 2.89Å |
| 524 | R | 89.7 | Confident | 91.3 | Very high | 188 Ų | 188 | 55.8 Ų | 55.8 | 71% | 0.709 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.8 | 12.4 | 175.7 | -62.4 | -175.9 | -178.8 | 179.7 | 0.3 | 113.2 | A491 N522 H526 | A491-R524 VanDerWaalsContact CB-O 3.27Å; A491-R524 WeakPolarHBondContact CB-O 3.22Å; N522-R524 PolarHBondContact O-N 3.48Å; N522-R524 WeakPolarHBondContact OD1-CA 3.4Å; N522-R524 PolarHBondContact OD1-N 3.13Å; R524-H526 PolarHBondContact O-N 3.19Å |
| 525 | L | 90.1 | Very high | 90.9 | Very high | 6 Ų | 6 | 56.9 Ų | 56.9 | 3% | 0.031 | 29% | 0.288 | C | S | . | . | trans | 60.7 | 16.2 | -173.9 | -60.2 | -177.2 | 0 | 0 | 0 | 115.7 | L472 L481 A491 V493 V521 N522 T527 | L472-L525 HydrophobicContact CD2-CD1 4.06Å; L472-L525 HydrophobicContact CD2-CD2 4.01Å; L481-L525 HydrophobicContact CB-CD1 3.72Å; L481-L525 HydrophobicContact CB-CG 4.29Å; A491-L525 HydrophobicContact CB-CB 4.08Å; A491-L525 HydrophobicContact CB-CD1 4.19Å; A491-L525 HydrophobicContact CB-CG 4.3Å; V493-L525 HydrophobicContact CB-CB 4.22Å; V493-L525 HydrophobicContact CG1-CB 4.32Å; V493-L525 HydrophobicContact CG1-CD1 4.24Å; V493-L525 HydrophobicContact CG1-CD2 4.32Å; V521-L525 HydrophobicContact CG2-CD2 3.83Å; N522-L525 WeakPolarHBondContact O-CA 3.25Å; N522-L525 PolarHBondContact O-N 2.82Å; N522-L525 PolarHBondContact OD1-N 2.84Å; L525-T527 PolarHBondContact O-N 2.97Å | ||
| 526 | H | 92 | Very high | 90.8 | Very high | 112 Ų | 112 | 56.9 Ų | 56.9 | 52% | 0.519 | 29% | 0.285 | S | S | . | . | trans | -70.8 | 128.7 | 168.5 | -58.5 | -65.6 | 0 | 0 | 0 | 109.9 | V521 N522 R524 L528 | V521-H526 CarbonylContact C-O 3.57Å; V521-H526 VanDerWaalsContact CA-O 3.24Å; V521-H526 WeakPolarHBondContact CA-O 3.46Å; N522-H526 PolarHBondContact N-O 2.6Å; N522-H526 PolarHBondContact OD1-N 3.2Å; N522-H526 VanDerWaalsContact OD1-N 3.1Å; R524-H526 PolarHBondContact O-N 3.19Å; H526-L528 PolarHBondContact O-N 3.45Å | ||
| 527 | T | 92.3 | Very high | 90.9 | Very high | 71 Ų | 71 | 55.6 Ų | 55.6 | 44% | 0.436 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.4 | 122.7 | 177.9 | -54.2 | 0 | 0 | 0 | 0 | 111.1 | M519 L525 | M519-T527 HydrophobicContact CE-CG2 4.47Å; M519-T527 HydrophobicContact CG-CG2 3.89Å; M519-T527 HydrophobicContact SD-CG2 4.23Å; L525-T527 PolarHBondContact O-N 2.97Å |
| 528 | L | 92.3 | Very high | 90.8 | Very high | 69 Ų | 69 | 55.8 Ų | 55.8 | 36% | 0.361 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | -46.5 | 174.3 | -55.7 | -179.6 | 0 | 0 | 0 | 110.4 | V509 I520 N522 H526 V561 | V509-L528 HydrophobicContact CG1-CD1 4.04Å; V509-L528 HydrophobicContact CG2-CD1 4.17Å; I520-L528 HydrophobicContact CG2-CB 4.18Å; I520-L528 HydrophobicContact CG2-CD1 4.15Å; I520-L528 PolarHBondContact O-N 2.89Å; N522-L528 HydrophobicContact CB-CD1 4.18Å; N522-L528 HydrophobicContact CB-CD2 4.33Å; N522-L528 HydrophobicContact CB-CG 4.41Å; H526-L528 PolarHBondContact O-N 3.45Å; L528-V561 HydrophobicContact CB-CG1 3.84Å; L528-V561 HydrophobicContact CD1-CG1 3.44Å; L528-V561 VanDerWaalsContact CD1-CG1 3.44Å; L528-V561 HydrophobicContact CG-CG1 4.21Å |
| 529 | C | 92.2 | Very high | 90.7 | Very high | 13 Ų | 13 | 55.9 Ų | 55.9 | 9% | 0.088 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.7 | 163.5 | 170.2 | 74.5 | 0 | 0 | 0 | 0 | 112.2 | I520 | I520-C529 PolarHBondContact N-O 3.47Å; I520-C529 PolarHBondContact O-N 3.11Å |
| 530 | S | 92.4 | Very high | 90.7 | Very high | 69 Ų | 69 | 55.3 Ų | 55.3 | 48% | 0.483 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.4 | 133 | 176 | -174.4 | 0 | 0 | 0 | 0 | 110 | ||
| 531 | T | 91.6 | Very high | 90.6 | Very high | 32 Ų | 32 | 55.8 Ų | 55.8 | 20% | 0.196 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 128.3 | -176.1 | -51.8 | 0 | 0 | 0 | 0 | 110.3 | L518 L559 | L518-T531 PolarHBondContact N-O 2.83Å; L518-T531 PolarHBondContact O-N 2.87Å; T531-L559 WeakPolarHBondContact OG1-CD2 3.41Å |
| 532 | H | 92.2 | Very high | 90.6 | Very high | 143 Ų | 143 | 57.2 Ų | 57.2 | 66% | 0.662 | 29% | 0.287 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -100 | 129.6 | 176.6 | -173.6 | -91.5 | 0 | 0 | 0 | 111.4 | H516 | H516-H532 CarbonylContact O-C 3.18Å; H516-H532 WeakPolarHBondContact O-CA 3.18Å; H516-H532 PolarHBondContact O-CD2 3.36Å; H516-H532 VanDerWaalsContact O-CD2 3.28Å |
| 533 | E | 89.3 | Confident | 90.4 | Very high | 13 Ų | 13 | 55.7 Ų | 55.7 | 6% | 0.061 | 28% | 0.279 | C | S | . | . | trans | -115.7 | 124.2 | -175.2 | -81.8 | -66.9 | 139.5 | 0 | 0 | 111.6 | H516 N535 V537 Y550 T552 K557 | H516-E533 WeakPolarHBondContact CB-O 3.35Å; H516-E533 PolarHBondContact ND1-O 3.22Å; H516-E533 PolarHBondContact O-N 2.78Å; E533-N535 PolarHBondContact O-N 2.85Å; E533-V537 HydrophobicContact CB-CG2 4.15Å; E533-V537 HydrophobicContact CG-CG2 4.22Å; E533-Y550 HydrophobicContact CG-CE2 4.09Å; E533-Y550 PolarHBondContact OE1-OH 3.06Å; E533-T552 HydrophobicContact CG-CG2 4.35Å; E533-T552 WeakPolarHBondContact OE2-CG2 3.42Å; E533-K557 WeakPolarHBondContact OE1-CD 3.45Å; E533-K557 IonicContact OE1-NZ 3.89Å; E533-K557 PolarHBondContact OE1-NZ 2.86Å; E533-K557 IonicContact OE2-NZ 3.24Å; E533-K557 PolarHBondContact OE2-NZ 3.4Å | ||
| 534 | S | 83.8 | Confident | 90.2 | Very high | 97 Ų | 97 | 59.1 Ų | 59.1 | 68% | 0.678 | 29% | 0.294 | S | S | * | . | S | Bend | trans | -56.9 | -39.4 | 173.1 | 58.2 | 0 | 0 | 0 | 0 | 111.9 | H516 | H516-S534 PolarHBondContact CE1-O 3.16Å; H516-S534 PolarHBondContact ND1-O 3.39Å; H516-S534 VanDerWaalsContact ND1-O 3.14Å |
| 535 | N | 83 | Confident | 89.8 | Confident | 32 Ų | 32 | 53.6 Ų | 53.6 | 17% | 0.171 | 28% | 0.278 | C | S | . | . | S | Bend | trans | -90.8 | 138 | 178.2 | -84.1 | -71.9 | 0 | 0 | 0 | 112.3 | E533 V537 T552 | E533-N535 PolarHBondContact O-N 2.85Å; N535-V537 PolarHBondContact O-N 3.1Å; N535-V537 VanDerWaalsContact O-N 3.12Å; N535-T552 HydrophobicContact CB-CG2 4.47Å |
| 536 | R | 85.4 | Confident | 89.6 | Confident | 95 Ų | 95 | 58 Ų | 58 | 36% | 0.358 | 30% | 0.299 | S | S | . | . | P | Polyproline II helix | trans | -60.7 | 117.9 | -178.6 | -60.1 | -173 | -161.9 | -171.7 | 7.3 | 112.1 | K4 K515 K538 S553 | K4-R536 PolarHBondContact O-NH2 2.99Å; K515-R536 HydrophobicContact CG-CG 4.23Å; K515-R536 VanDerWaalsContact O-CA 3.24Å; K515-R536 WeakPolarHBondContact O-CA 3.5Å; R536-K538 PolarHBondContact O-NZ 3.2Å; R536-S553 PolarHBondContact O-N 2.93Å |
| 537 | V | 90.4 | Very high | 89.5 | Confident | 17 Ų | 17 | 52.6 Ų | 52.6 | 10% | 0.103 | 27% | 0.274 | C | S | . | . | P | Polyproline II helix | trans | -57.8 | 142.4 | 172.4 | -175.3 | 0 | 0 | 0 | 0 | 110.4 | L513 K515 E533 N535 Y550 | L513-V537 HydrophobicContact CD2-CG1 4.26Å; K515-V537 PolarHBondContact O-N 2.96Å; E533-V537 HydrophobicContact CB-CG2 4.15Å; E533-V537 HydrophobicContact CG-CG2 4.22Å; N535-V537 PolarHBondContact O-N 3.1Å; N535-V537 VanDerWaalsContact O-N 3.12Å; V537-Y550 HydrophobicContact CG1-CD2 4.23Å |
| 538 | K | 89.7 | Confident | 89.6 | Confident | 33 Ų | 33 | 49.2 Ų | 49.2 | 14% | 0.143 | 25% | 0.253 | C | S | . | . | trans | -108.3 | -58.7 | -179.9 | -56.7 | -59.8 | 178.6 | -117.5 | 0 | 111.2 | R326 R536 T551 S553 P574 Y576 | R326-K538 PolarHBondContact NH1-O 3.3Å; R536-K538 PolarHBondContact O-NZ 3.2Å; K538-T551 PolarHBondContact N-O 3.07Å; K538-S553 PolarHBondContact NZ-OG 2.82Å; K538-P574 HydrophobicContact CD-CB 4.43Å; K538-P574 HydrophobicContact CG-CB 4.37Å; K538-Y576 HydrophobicContact CB-CD1 4.1Å; K538-Y576 HydrophobicContact CB-CE1 3.95Å; K538-Y576 HydrophobicContact CD-CE1 4.39Å | ||
| 539 | S | 92.2 | Very high | 89.7 | Confident | 2 Ų | 2 | 46 Ų | 46 | 1% | 0.014 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -165.4 | 160.6 | -170.1 | 36.4 | 0 | 0 | 0 | 0 | 108.9 | Y550 T551 Y576 I577 | S539-Y550 CarbonylContact O-C 3.55Å; S539-Y550 VanDerWaalsContact O-CA 3.26Å; S539-Y550 WeakPolarHBondContact O-CA 3.33Å; S539-Y550 WeakPolarHBondContact O-CB 3.26Å; S539-T551 PolarHBondContact O-N 3.47Å; S539-T551 PolarHBondContact O-OG1 3.24Å; S539-T551 PolarHBondContact OG-OG1 2.98Å; S539-Y576 WeakPolarHBondContact OG-CA 3.26Å; S539-I577 PolarHBondContact OG-N 3.49Å |
| 540 | G | 93 | Very high | 89.8 | Confident | 6 Ų | 6 | 45.6 Ų | 45.6 | 6% | 0.062 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.8 | 172.4 | 162.4 | 0 | 0 | 0 | 0 | 0 | 110.1 | F548 I549 | G540-F548 VanDerWaalsContact CA-CZ 3.46Å; G540-I549 CarbonylContact C-O 3.57Å; G540-I549 WeakPolarHBondContact CA-O 3.42Å |
| 541 | A | 93.6 | Very high | 89.9 | Confident | 11 Ų | 11 | 42.3 Ų | 42.3 | 9% | 0.091 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143 | 158.3 | 174.6 | 0 | 0 | 0 | 0 | 0 | 109.1 | I549 I577 V580 | A541-I549 PolarHBondContact N-O 3.32Å; A541-I549 PolarHBondContact O-N 3.09Å; A541-I577 HydrophobicContact CB-CG2 3.75Å; A541-V580 HydrophobicContact CB-CG2 3.98Å |
| 542 | W | 92.9 | Very high | 89.9 | Confident | 30 Ų | 30 | 40.8 Ų | 40.8 | 11% | 0.114 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.7 | 133 | -179.8 | -66.9 | 96.2 | 0 | 0 | 0 | 110.8 | V502 W503 V509 A511 I520 E546 F548 | V502-W542 PolarHBondContact O-NE1 2.62Å; W503-W542 VanDerWaalsContact C-CD1 3.45Å; W503-W542 VanDerWaalsContact O-CD1 3.24Å; V509-W542 HydrophobicContact CB-CH2 4.19Å; V509-W542 HydrophobicContact CB-CZ2 4.29Å; V509-W542 HydrophobicContact CG1-CH2 3.41Å; V509-W542 VanDerWaalsContact CG1-CH2 3.41Å; V509-W542 HydrophobicContact CG1-CZ2 3.69Å; V509-W542 HydrophobicContact CG1-CZ3 4.28Å; A511-W542 HydrophobicContact CB-CZ2 3.88Å; I520-W542 HydrophobicContact CD1-CH2 3.88Å; I520-W542 HydrophobicContact CD1-CZ3 4.45Å; I520-W542 HydrophobicContact CG1-CH2 4.24Å; I520-W542 HydrophobicContact CG2-CH2 3.8Å; I520-W542 HydrophobicContact CG2-CZ2 4.42Å; W542-E546 WeakPolarHBondContact CZ3-O 3.26Å; W542-F548 HydrophobicContact CD2-CB 4.29Å; W542-F548 AromaticContact CD2-CD2 3.73Å; W542-F548 HydrophobicContact CD2-CD2 3.73Å; W542-F548 HydrophobicContact CD2-CG 4.49Å; W542-F548 AromaticContact CE2-CD2 3.59Å; W542-F548 HydrophobicContact CE3-CB 3.94Å; W542-F548 HydrophobicContact CE3-CD2 4.26Å; W542-F548 HydrophobicContact CG-CD2 4.03Å; W542-F548 HydrophobicContact CH2-CB 4.04Å; W542-F548 HydrophobicContact CZ2-CB 4.37Å; W542-F548 HydrophobicContact CZ2-CD2 4.02Å; W542-F548 HydrophobicContact CZ2-CG 4.43Å; W542-F548 HydrophobicContact CZ3-CB 3.82Å; W542-F548 AromaticContact NE1-CD2 3.77Å |
| 543 | D | 90.1 | Very high | 89.4 | Confident | 10 Ų | 10 | 35 Ų | 35 | 5% | 0.053 | 18% | 0.176 | C | C | . | . | trans | -72.7 | 160.7 | 158.5 | -175.9 | 29.5 | 0 | 0 | 0 | 110 | N545 E546 V547 V580 Y604 | D543-N545 PolarHBondContact O-N 3.1Å; D543-N545 VanDerWaalsContact O-N 3.14Å; D543-N545 PolarHBondContact OD2-ND2 3.05Å; D543-E546 PolarHBondContact O-N 3.48Å; D543-V547 HydrophobicContact CB-CB 4.31Å; D543-V547 PolarHBondContact N-O 3.41Å; D543-V580 HydrophobicContact CB-CG1 4Å; D543-Y604 WeakPolarHBondContact OD2-CE2 3.37Å; D543-Y604 PolarHBondContact OD2-OH 3.14Å | ||
| 544 | K | 84.9 | Confident | 89.2 | Confident | 193 Ų | 193 | 35.4 Ų | 35.4 | 84% | 0.839 | 18% | 0.179 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.8 | -22.8 | 176.9 | -65.3 | -176.5 | 178.3 | -177.8 | 0 | 113.5 | E546 | K544-E546 VanDerWaalsContact C-N 3.33Å; K544-E546 PolarHBondContact O-N 3.28Å |
| 545 | N | 82 | Confident | 89.6 | Confident | 71 Ų | 71 | 32.8 Ų | 32.8 | 38% | 0.38 | 16% | 0.155 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -93.6 | 27.8 | -178 | -53.7 | -64.4 | 0 | 0 | 0 | 113.3 | D543 V547 L608 | D543-N545 PolarHBondContact O-N 3.1Å; D543-N545 VanDerWaalsContact O-N 3.14Å; D543-N545 PolarHBondContact OD2-ND2 3.05Å; N545-V547 PolarHBondContact O-N 3.45Å; N545-V547 VanDerWaalsContact O-N 3.17Å; N545-L608 HydrophobicContact CB-CD2 3.8Å |
| 546 | E | 85.2 | Confident | 90 | Very high | 98 Ų | 98 | 31.3 Ų | 31.3 | 46% | 0.458 | 15% | 0.148 | S | C | . | . | S | Bend | trans | 57.1 | 26.8 | -177 | -54.8 | -172.6 | 156.2 | 0 | 0 | 114.8 | W542 D543 K544 V561 | W542-E546 WeakPolarHBondContact CZ3-O 3.26Å; D543-E546 PolarHBondContact O-N 3.48Å; K544-E546 VanDerWaalsContact C-N 3.33Å; K544-E546 PolarHBondContact O-N 3.28Å; E546-V561 HydrophobicContact CB-CG2 3.97Å; E546-V561 VanDerWaalsContact O-CG2 3.31Å; E546-V561 WeakPolarHBondContact O-CG2 3.37Å |
| 547 | V | 91.4 | Very high | 90.4 | Very high | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 14% | 0.137 | C | C | . | . | trans | -99.2 | 124.8 | 175.5 | -178.1 | 0 | 0 | 0 | 0 | 109.9 | D543 N545 I549 Y558 I560 Y604 | D543-V547 HydrophobicContact CB-CB 4.31Å; D543-V547 PolarHBondContact N-O 3.41Å; N545-V547 PolarHBondContact O-N 3.45Å; N545-V547 VanDerWaalsContact O-N 3.17Å; V547-I549 HydrophobicContact CG1-CG1 4.5Å; V547-Y558 HydrophobicContact CG1-CD2 4.23Å; V547-Y558 HydrophobicContact CG1-CG 4.45Å; V547-I560 HydrophobicContact CG1-CG1 4.41Å; V547-I560 HydrophobicContact CG2-CG1 4.2Å; V547-Y604 HydrophobicContact CB-CD2 4.15Å; V547-Y604 HydrophobicContact CB-CE2 4.1Å; V547-Y604 HydrophobicContact CG1-CD2 4.07Å; V547-Y604 HydrophobicContact CG1-CE2 4.34Å; V547-Y604 HydrophobicContact CG1-CG 4.31Å; V547-Y604 HydrophobicContact CG2-CD2 3.65Å; V547-Y604 HydrophobicContact CG2-CE2 3.85Å | ||
| 548 | F | 94.7 | Very high | 90.5 | Very high | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.7 | 110.8 | 179.4 | -170.2 | -109.8 | 0 | 0 | 0 | 110.8 | V502 A511 L513 L518 I520 G540 W542 Y550 Y558 L559 | V502-F548 HydrophobicContact CB-CE2 4.06Å; V502-F548 HydrophobicContact CB-CZ 4.43Å; V502-F548 HydrophobicContact CG1-CE2 4.07Å; A511-F548 HydrophobicContact CB-CD1 4.01Å; A511-F548 HydrophobicContact CB-CD2 3.72Å; A511-F548 HydrophobicContact CB-CE1 3.74Å; A511-F548 HydrophobicContact CB-CE2 3.44Å; A511-F548 VanDerWaalsContact CB-CE2 3.44Å; A511-F548 HydrophobicContact CB-CG 3.99Å; A511-F548 HydrophobicContact CB-CZ 3.44Å; A511-F548 VanDerWaalsContact CB-CZ 3.44Å; L513-F548 HydrophobicContact CD2-CE1 3.82Å; L513-F548 HydrophobicContact CD2-CZ 3.9Å; L518-F548 HydrophobicContact CD1-CD1 3.79Å; L518-F548 HydrophobicContact CD1-CE1 3.57Å; L518-F548 HydrophobicContact CD2-CD1 3.94Å; L518-F548 HydrophobicContact CD2-CE1 4.18Å; I520-F548 HydrophobicContact CD1-CB 4.19Å; G540-F548 VanDerWaalsContact CA-CZ 3.46Å; W542-F548 HydrophobicContact CD2-CB 4.29Å; W542-F548 AromaticContact CD2-CD2 3.73Å; W542-F548 HydrophobicContact CD2-CD2 3.73Å; W542-F548 HydrophobicContact CD2-CG 4.49Å; W542-F548 AromaticContact CE2-CD2 3.59Å; W542-F548 HydrophobicContact CE3-CB 3.94Å; W542-F548 HydrophobicContact CE3-CD2 4.26Å; W542-F548 HydrophobicContact CG-CD2 4.03Å; W542-F548 HydrophobicContact CH2-CB 4.04Å; W542-F548 HydrophobicContact CZ2-CB 4.37Å; W542-F548 HydrophobicContact CZ2-CD2 4.02Å; W542-F548 HydrophobicContact CZ2-CG 4.43Å; W542-F548 HydrophobicContact CZ3-CB 3.82Å; W542-F548 AromaticContact NE1-CD2 3.77Å; F548-Y550 HydrophobicContact CD1-CD1 4.08Å; F548-Y550 HydrophobicContact CD1-CG 4.42Å; F548-Y550 HydrophobicContact CE1-CD1 4.44Å; F548-Y550 HydrophobicContact CE1-CG 4.33Å; F548-Y558 CarbonylContact O-C 3.58Å; F548-Y558 WeakPolarHBondContact O-CA 3.27Å; F548-L559 PolarHBondContact N-O 2.91Å; F548-L559 PolarHBondContact O-N 2.94Å |
| 549 | I | 94.4 | Very high | 90.7 | Very high | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 124.2 | 178.5 | -51.3 | -177.1 | 0 | 0 | 0 | 108.9 | G540 A541 V547 I556 K557 I577 V580 L585 F599 | G540-I549 CarbonylContact C-O 3.57Å; G540-I549 WeakPolarHBondContact CA-O 3.42Å; A541-I549 PolarHBondContact N-O 3.32Å; A541-I549 PolarHBondContact O-N 3.09Å; V547-I549 HydrophobicContact CG1-CG1 4.5Å; I549-I556 HydrophobicContact CG2-CG2 3.85Å; I549-K557 CarbonylContact C-O 3.31Å; I549-K557 WeakPolarHBondContact CA-O 3.14Å; I549-K557 WeakPolarHBondContact CG2-O 3.38Å; I549-I577 HydrophobicContact CG2-CD1 3.92Å; I549-V580 HydrophobicContact CB-CG2 4.29Å; I549-V580 HydrophobicContact CD1-CG1 3.81Å; I549-V580 HydrophobicContact CD1-CG2 4.18Å; I549-V580 HydrophobicContact CG1-CG2 4.48Å; I549-L585 HydrophobicContact CB-CD2 4.46Å; I549-L585 HydrophobicContact CD1-CD2 3.94Å; I549-L585 HydrophobicContact CG2-CD1 4.07Å; I549-L585 HydrophobicContact CG2-CD2 3.99Å; I549-F599 HydrophobicContact CD1-CE1 4.43Å; I549-F599 HydrophobicContact CD1-CE2 3.43Å; I549-F599 VanDerWaalsContact CD1-CE2 3.43Å; I549-F599 HydrophobicContact CD1-CZ 3.38Å |
| 550 | Y | 94.4 | Very high | 90.7 | Very high | 6 Ų | 6 | 26.4 Ų | 26.4 | 2% | 0.024 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 160.2 | -172.8 | 69.6 | -82 | 0 | 0 | 0 | 113.6 | L518 E533 V537 S539 F548 T552 I556 K557 L559 | L518-Y550 HydrophobicContact CD2-CD1 3.57Å; L518-Y550 HydrophobicContact CD2-CD2 4.21Å; L518-Y550 HydrophobicContact CD2-CE1 3.48Å; L518-Y550 VanDerWaalsContact CD2-CE1 3.48Å; L518-Y550 HydrophobicContact CD2-CE2 4.13Å; L518-Y550 HydrophobicContact CD2-CG 3.94Å; E533-Y550 HydrophobicContact CG-CE2 4.09Å; E533-Y550 PolarHBondContact OE1-OH 3.06Å; V537-Y550 HydrophobicContact CG1-CD2 4.23Å; S539-Y550 CarbonylContact O-C 3.55Å; S539-Y550 VanDerWaalsContact O-CA 3.26Å; S539-Y550 WeakPolarHBondContact O-CA 3.33Å; S539-Y550 WeakPolarHBondContact O-CB 3.26Å; F548-Y550 HydrophobicContact CD1-CD1 4.08Å; F548-Y550 HydrophobicContact CD1-CG 4.42Å; F548-Y550 HydrophobicContact CE1-CD1 4.44Å; F548-Y550 HydrophobicContact CE1-CG 4.33Å; Y550-T552 HydrophobicContact CD2-CG2 4.3Å; Y550-T552 HydrophobicContact CE2-CG2 3.92Å; Y550-I556 WeakPolarHBondContact O-CA 3.48Å; Y550-K557 HydrophobicContact CD1-CB 4.2Å; Y550-K557 HydrophobicContact CD2-CB 4.41Å; Y550-K557 HydrophobicContact CE1-CB 3.63Å; Y550-K557 HydrophobicContact CE2-CB 3.89Å; Y550-K557 HydrophobicContact CE2-CD 4.07Å; Y550-K557 VanDerWaalsContact CZ-CB 3.47Å; Y550-K557 PolarHBondContact N-O 3.32Å; Y550-K557 PolarHBondContact O-N 3.16Å; Y550-K557 WeakPolarHBondContact OH-CD 3.23Å; Y550-L559 HydrophobicContact CE1-CB 4.04Å |
| 551 | T | 94.1 | Very high | 90.5 | Very high | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 128.5 | 179.7 | 34.5 | 0 | 0 | 0 | 0 | 109.6 | K538 S539 H555 I556 L571 L575 I577 | K538-T551 PolarHBondContact N-O 3.07Å; S539-T551 PolarHBondContact O-N 3.47Å; S539-T551 PolarHBondContact O-OG1 3.24Å; S539-T551 PolarHBondContact OG-OG1 2.98Å; T551-H555 WeakPolarHBondContact CA-O 3.32Å; T551-I556 HydrophobicContact CG2-CG1 4.18Å; T551-L571 HydrophobicContact CG2-CD1 4.04Å; T551-L575 WeakPolarHBondContact CB-O 3.21Å; T551-L575 PolarHBondContact OG1-O 2.76Å; T551-I577 HydrophobicContact CG2-CD1 3.81Å; T551-I577 HydrophobicContact CG2-CG1 3.8Å |
| 552 | T | 90.5 | Very high | 90.2 | Very high | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 15% | 0.149 | C | C | . | . | trans | -91.3 | -170.6 | 163.2 | 66.6 | 0 | 0 | 0 | 0 | 109.3 | E533 N535 Y550 N554 H555 K557 | E533-T552 HydrophobicContact CG-CG2 4.35Å; E533-T552 WeakPolarHBondContact OE2-CG2 3.42Å; N535-T552 HydrophobicContact CB-CG2 4.47Å; Y550-T552 HydrophobicContact CD2-CG2 4.3Å; Y550-T552 HydrophobicContact CE2-CG2 3.92Å; T552-N554 PolarHBondContact O-N 3.36Å; T552-N554 PolarHBondContact OG1-N 3.25Å; T552-H555 PolarHBondContact N-O 3.36Å; T552-H555 PolarHBondContact OG1-N 3.46Å; T552-H555 PolarHBondContact OG1-O 3.06Å; T552-H555 VanDerWaalsContact OG1-O 3.13Å; T552-K557 HydrophobicContact CG2-CD 4.36Å | ||
| 553 | S | 83.1 | Confident | 89.9 | Confident | 21 Ų | 21 | 31 Ų | 31 | 15% | 0.147 | 16% | 0.16 | C | C | . | . | S | Bend | trans | -62.6 | -23.6 | 168.9 | -58.1 | 0 | 0 | 0 | 0 | 113.6 | R39 R536 K538 | R39-S553 PolarHBondContact NH2-O 2.88Å; R536-S553 PolarHBondContact O-N 2.93Å; K538-S553 PolarHBondContact NZ-OG 2.82Å |
| 554 | N | 84.8 | Confident | 89.8 | Confident | 22 Ų | 22 | 31.9 Ų | 31.9 | 12% | 0.118 | 17% | 0.165 | C | C | . | . | S | Bend | trans | -134.2 | -11.8 | -163.2 | -59.7 | 12.6 | 0 | 0 | 0 | 114.2 | R39 T552 T570 L571 | R39-N554 PolarHBondContact NE-OD1 2.95Å; R39-N554 PolarHBondContact NH2-OD1 2.89Å; R39-N554 VanDerWaalsContact NH2-OD1 3.14Å; T552-N554 PolarHBondContact O-N 3.36Å; T552-N554 PolarHBondContact OG1-N 3.25Å; N554-T570 CarbonylContact O-C 3.48Å; N554-T570 WeakPolarHBondContact O-CA 3.37Å; N554-T570 WeakPolarHBondContact O-CG2 3.19Å; N554-L571 PolarHBondContact O-N 3.25Å |
| 555 | H | 90.8 | Very high | 90 | Very high | 41 Ų | 41 | 24.4 Ų | 24.4 | 19% | 0.19 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.6 | 148.1 | -174.2 | -52.4 | 105.7 | 0 | 0 | 0 | 111.6 | T551 T552 K557 I567 R569 | T551-H555 WeakPolarHBondContact CA-O 3.32Å; T552-H555 PolarHBondContact N-O 3.36Å; T552-H555 PolarHBondContact OG1-N 3.46Å; T552-H555 PolarHBondContact OG1-O 3.06Å; T552-H555 VanDerWaalsContact OG1-O 3.13Å; H555-K557 HydrophobicContact CB-CG 4.22Å; H555-I567 HydrophobicContact CB-CG2 4.36Å; H555-R569 CarbonylContact C-O 3.54Å; H555-R569 VanDerWaalsContact CA-O 3.26Å; H555-R569 WeakPolarHBondContact CA-O 3.36Å |
| 556 | I | 92.6 | Very high | 90.3 | Very high | 1 Ų | 1 | 22 Ų | 22 | 1% | 0.005 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 130.6 | 155.4 | -52.4 | -177 | 0 | 0 | 0 | 107.3 | I549 Y550 T551 V568 R569 L571 I577 L585 I597 | I549-I556 HydrophobicContact CG2-CG2 3.85Å; Y550-I556 WeakPolarHBondContact O-CA 3.48Å; T551-I556 HydrophobicContact CG2-CG1 4.18Å; I556-V568 HydrophobicContact CB-CB 4.13Å; I556-V568 HydrophobicContact CG2-CB 3.89Å; I556-V568 HydrophobicContact CG2-CG1 4.32Å; I556-V568 HydrophobicContact CG2-CG2 4.2Å; I556-V568 PolarHBondContact O-N 2.93Å; I556-R569 HydrophobicContact CB-CB 4.37Å; I556-R569 HydrophobicContact CD1-CB 4.32Å; I556-R569 HydrophobicContact CG1-CB 4.43Å; I556-R569 PolarHBondContact N-O 2.89Å; I556-R569 PolarHBondContact O-N 3.49Å; I556-L571 HydrophobicContact CD1-CD2 4.11Å; I556-L571 HydrophobicContact CG1-CD1 3.79Å; I556-L571 HydrophobicContact CG1-CD2 4Å; I556-L571 HydrophobicContact CG1-CG 3.95Å; I556-I577 HydrophobicContact CG2-CD1 4.45Å; I556-L585 HydrophobicContact CD1-CD1 3.86Å; I556-L585 HydrophobicContact CG2-CD1 3.64Å; I556-I597 HydrophobicContact CD1-CD1 3.96Å; I556-I597 HydrophobicContact CD1-CG2 4.27Å |
| 557 | K | 93.3 | Very high | 90.5 | Very high | 32 Ų | 32 | 21.9 Ų | 21.9 | 14% | 0.139 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 158 | 180 | -72.6 | -174.5 | 164.8 | -178.5 | 0 | 110.1 | E533 I549 Y550 T552 H555 G566 I567 | E533-K557 WeakPolarHBondContact OE1-CD 3.45Å; E533-K557 IonicContact OE1-NZ 3.89Å; E533-K557 PolarHBondContact OE1-NZ 2.86Å; E533-K557 IonicContact OE2-NZ 3.24Å; E533-K557 PolarHBondContact OE2-NZ 3.4Å; I549-K557 CarbonylContact C-O 3.31Å; I549-K557 WeakPolarHBondContact CA-O 3.14Å; I549-K557 WeakPolarHBondContact CG2-O 3.38Å; Y550-K557 HydrophobicContact CD1-CB 4.2Å; Y550-K557 HydrophobicContact CD2-CB 4.41Å; Y550-K557 HydrophobicContact CE1-CB 3.63Å; Y550-K557 HydrophobicContact CE2-CB 3.89Å; Y550-K557 HydrophobicContact CE2-CD 4.07Å; Y550-K557 VanDerWaalsContact CZ-CB 3.47Å; Y550-K557 PolarHBondContact N-O 3.32Å; Y550-K557 PolarHBondContact O-N 3.16Å; Y550-K557 WeakPolarHBondContact OH-CD 3.23Å; T552-K557 HydrophobicContact CG2-CD 4.36Å; H555-K557 HydrophobicContact CB-CG 4.22Å; K557-G566 VanDerWaalsContact CA-O 3.24Å; K557-G566 WeakPolarHBondContact CA-O 3.46Å; K557-G566 WeakPolarHBondContact CB-O 3.48Å; K557-I567 HydrophobicContact CG-CG1 4.22Å |
| 558 | Y | 93.2 | Very high | 90.3 | Very high | 4 Ų | 4 | 23.7 Ų | 23.7 | 2% | 0.016 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 154.5 | 168.3 | 69.8 | -94.7 | 0 | 0 | 0 | 110.7 | V547 F548 I560 G565 G566 V568 E603 K607 | V547-Y558 HydrophobicContact CG1-CD2 4.23Å; V547-Y558 HydrophobicContact CG1-CG 4.45Å; F548-Y558 CarbonylContact O-C 3.58Å; F548-Y558 WeakPolarHBondContact O-CA 3.27Å; Y558-I560 HydrophobicContact CD2-CG1 4.27Å; Y558-I560 HydrophobicContact CE2-CD1 4.36Å; Y558-I560 HydrophobicContact CE2-CG1 4.36Å; Y558-G565 VanDerWaalsContact O-CA 3.23Å; Y558-G565 WeakPolarHBondContact O-CA 3.49Å; Y558-G566 VanDerWaalsContact CE1-CA 3.48Å; Y558-G566 PolarHBondContact N-O 3.42Å; Y558-G566 PolarHBondContact O-N 3.09Å; Y558-V568 HydrophobicContact CD1-CG2 3.77Å; Y558-E603 WeakPolarHBondContact CE1-OE2 3.19Å; Y558-E603 PolarHBondContact OH-OE1 3.14Å; Y558-E603 PolarHBondContact OH-OE2 2.83Å; Y558-E603 VanDerWaalsContact OH-OE2 3.13Å; Y558-K607 PolarHBondContact OH-NZ 3.28Å |
| 559 | L | 93.9 | Very high | 90 | Very high | 3 Ų | 3 | 29.1 Ų | 29.1 | 2% | 0.016 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.9 | 126 | 173.5 | -176.6 | 62 | 0 | 0 | 0 | 109 | L518 I520 T531 F548 Y550 | L518-L559 HydrophobicContact CD2-CB 4.37Å; L518-L559 HydrophobicContact CD2-CD2 3.54Å; L518-L559 HydrophobicContact CG-CD2 3.83Å; I520-L559 HydrophobicContact CD1-CD2 3.74Å; I520-L559 HydrophobicContact CD1-CG 3.94Å; I520-L559 HydrophobicContact CG1-CD2 4.16Å; T531-L559 WeakPolarHBondContact OG1-CD2 3.41Å; F548-L559 PolarHBondContact N-O 2.91Å; F548-L559 PolarHBondContact O-N 2.94Å; Y550-L559 HydrophobicContact CE1-CB 4.04Å |
| 560 | I | 91.9 | Very high | 89.7 | Confident | 6 Ų | 6 | 33.7 Ų | 33.7 | 3% | 0.031 | 20% | 0.196 | C | C | . | . | trans | -87.7 | 151.8 | 173.1 | -55.4 | 175.5 | 0 | 0 | 0 | 107.9 | V547 Y558 N562 G563 D564 K607 L608 I611 | V547-I560 HydrophobicContact CG1-CG1 4.41Å; V547-I560 HydrophobicContact CG2-CG1 4.2Å; Y558-I560 HydrophobicContact CD2-CG1 4.27Å; Y558-I560 HydrophobicContact CE2-CD1 4.36Å; Y558-I560 HydrophobicContact CE2-CG1 4.36Å; I560-N562 WeakPolarHBondContact CB-OD1 3.39Å; I560-N562 WeakPolarHBondContact CG2-OD1 3.4Å; I560-N562 PolarHBondContact O-N 2.99Å; I560-G563 PolarHBondContact O-N 3.48Å; I560-D564 WeakPolarHBondContact CB-O 3.48Å; I560-D564 HydrophobicContact CD1-CB 4.46Å; I560-D564 PolarHBondContact N-O 3.32Å; I560-K607 HydrophobicContact CD1-CB 3.98Å; I560-L608 HydrophobicContact CG2-CD1 4.28Å; I560-I611 HydrophobicContact CD1-CD1 4.12Å; I560-I611 HydrophobicContact CG2-CD1 4.21Å | ||
| 561 | V | 89.1 | Confident | 89.3 | Confident | 32 Ų | 32 | 34.1 Ų | 34.1 | 19% | 0.194 | 20% | 0.198 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -53.3 | -27.9 | -177.5 | -174.1 | 0 | 0 | 0 | 0 | 113.9 | L528 E546 G563 | L528-V561 HydrophobicContact CB-CG1 3.84Å; L528-V561 HydrophobicContact CD1-CG1 3.44Å; L528-V561 VanDerWaalsContact CD1-CG1 3.44Å; L528-V561 HydrophobicContact CG-CG1 4.21Å; E546-V561 HydrophobicContact CB-CG2 3.97Å; E546-V561 VanDerWaalsContact O-CG2 3.31Å; E546-V561 WeakPolarHBondContact O-CG2 3.37Å; V561-G563 VanDerWaalsContact C-N 3.29Å; V561-G563 PolarHBondContact O-N 2.9Å |
| 562 | N | 86.5 | Confident | 88.5 | Confident | 76 Ų | 76 | 41 Ų | 41 | 41% | 0.406 | 24% | 0.235 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.3 | -2.5 | 178.1 | 78.4 | -28.3 | 0 | 0 | 0 | 114.5 | I560 D564 I611 | I560-N562 WeakPolarHBondContact CB-OD1 3.39Å; I560-N562 WeakPolarHBondContact CG2-OD1 3.4Å; I560-N562 PolarHBondContact O-N 2.99Å; N562-D564 PolarHBondContact ND2-OD2 2.75Å; N562-D564 WeakPolarHBondContact OD1-CB 3.21Å; N562-D564 PolarHBondContact OD1-N 3.4Å; N562-I611 VanDerWaalsContact ND2-CD1 3.28Å; N562-I611 WeakPolarHBondContact ND2-CD1 3.37Å |
| 563 | G | 87.4 | Confident | 87.9 | Confident | 34 Ų | 34 | 44.7 Ų | 44.7 | 35% | 0.351 | 26% | 0.258 | S | S | . | . | S | Bend | trans | 93 | -6.9 | -177.3 | 0 | 0 | 0 | 0 | 0 | 115.9 | I560 V561 | I560-G563 PolarHBondContact O-N 3.48Å; V561-G563 VanDerWaalsContact C-N 3.29Å; V561-G563 PolarHBondContact O-N 2.9Å |
| 564 | D | 87.7 | Confident | 88 | Confident | 30 Ų | 30 | 44.2 Ų | 44.2 | 16% | 0.16 | 25% | 0.254 | C | S | . | . | trans | -70.7 | 139.3 | 171.4 | -72 | -44.3 | 0 | 0 | 0 | 110.1 | I560 N562 Y635 K639 | I560-D564 WeakPolarHBondContact CB-O 3.48Å; I560-D564 HydrophobicContact CD1-CB 4.46Å; I560-D564 PolarHBondContact N-O 3.32Å; N562-D564 PolarHBondContact ND2-OD2 2.75Å; N562-D564 WeakPolarHBondContact OD1-CB 3.21Å; N562-D564 PolarHBondContact OD1-N 3.4Å; D564-Y635 PolarHBondContact OD2-OH 3.34Å; D564-K639 IonicContact OD1-NZ 4Å; D564-K639 PolarHBondContact OD1-NZ 3.3Å; D564-K639 IonicContact OD2-NZ 3.75Å; D564-K639 PolarHBondContact OD2-NZ 3.45Å | ||
| 565 | G | 88.4 | Confident | 88.2 | Confident | 36 Ų | 36 | 43.9 Ų | 43.9 | 37% | 0.371 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.4 | 178.1 | -177 | 0 | 0 | 0 | 0 | 0 | 113.5 | Y558 | Y558-G565 VanDerWaalsContact O-CA 3.23Å; Y558-G565 WeakPolarHBondContact O-CA 3.49Å |
| 566 | G | 88.1 | Confident | 88.3 | Confident | 19 Ų | 19 | 42.9 Ų | 42.9 | 20% | 0.196 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -165.3 | 172.8 | -178.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | K557 Y558 | K557-G566 VanDerWaalsContact CA-O 3.24Å; K557-G566 WeakPolarHBondContact CA-O 3.46Å; K557-G566 WeakPolarHBondContact CB-O 3.48Å; Y558-G566 VanDerWaalsContact CE1-CA 3.48Å; Y558-G566 PolarHBondContact N-O 3.42Å; Y558-G566 PolarHBondContact O-N 3.09Å |
| 567 | I | 89.7 | Confident | 88.2 | Confident | 96 Ų | 96 | 42.9 Ų | 42.9 | 49% | 0.492 | 25% | 0.247 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 120.2 | 177.7 | -58.7 | 176.8 | 0 | 0 | 0 | 108.4 | H555 K557 | H555-I567 HydrophobicContact CB-CG2 4.36Å; K557-I567 HydrophobicContact CG-CG1 4.22Å |
| 568 | V | 88.1 | Confident | 88 | Confident | 39 Ų | 39 | 41.7 Ų | 41.7 | 24% | 0.236 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.4 | -44.2 | 177 | -178.8 | 0 | 0 | 0 | 0 | 111 | I556 Y558 F599 | I556-V568 HydrophobicContact CB-CB 4.13Å; I556-V568 HydrophobicContact CG2-CB 3.89Å; I556-V568 HydrophobicContact CG2-CG1 4.32Å; I556-V568 HydrophobicContact CG2-CG2 4.2Å; I556-V568 PolarHBondContact O-N 2.93Å; Y558-V568 HydrophobicContact CD1-CG2 3.77Å; V568-F599 HydrophobicContact CG1-CB 3.61Å; V568-F599 HydrophobicContact CG1-CD2 3.76Å; V568-F599 HydrophobicContact CG1-CG 4.1Å |
| 569 | R | 87.4 | Confident | 87.8 | Confident | 113 Ų | 113 | 44.4 Ų | 44.4 | 43% | 0.426 | 25% | 0.254 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -163.4 | 148.5 | -174.2 | -159.4 | -171 | -79.6 | -133 | -1.7 | 112 | H555 I556 P598 | H555-R569 CarbonylContact C-O 3.54Å; H555-R569 VanDerWaalsContact CA-O 3.26Å; H555-R569 WeakPolarHBondContact CA-O 3.36Å; I556-R569 HydrophobicContact CB-CB 4.37Å; I556-R569 HydrophobicContact CD1-CB 4.32Å; I556-R569 HydrophobicContact CG1-CB 4.43Å; I556-R569 PolarHBondContact N-O 2.89Å; I556-R569 PolarHBondContact O-N 3.49Å; R569-P598 PolarHBondContact NH2-O 2.81Å |
| 570 | T | 88.5 | Confident | 87.5 | Confident | 97 Ų | 97 | 44.5 Ų | 44.5 | 60% | 0.595 | 26% | 0.255 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -84.1 | 150.9 | 167.3 | -51.7 | 0 | 0 | 0 | 0 | 111.4 | N554 | N554-T570 CarbonylContact O-C 3.48Å; N554-T570 WeakPolarHBondContact O-CA 3.37Å; N554-T570 WeakPolarHBondContact O-CG2 3.19Å |
| 571 | L | 85.4 | Confident | 87.1 | Confident | 15 Ų | 15 | 46.6 Ų | 46.6 | 8% | 0.079 | 27% | 0.268 | C | S | . | . | trans | -130.8 | 125 | -174 | -67.5 | 179.6 | 0 | 0 | 0 | 112.4 | R39 T551 N554 I556 L575 | R39-L571 PolarHBondContact NH2-O 3.11Å; T551-L571 HydrophobicContact CG2-CD1 4.04Å; N554-L571 PolarHBondContact O-N 3.25Å; I556-L571 HydrophobicContact CD1-CD2 4.11Å; I556-L571 HydrophobicContact CG1-CD1 3.79Å; I556-L571 HydrophobicContact CG1-CD2 4Å; I556-L571 HydrophobicContact CG1-CG 3.95Å; L571-L575 HydrophobicContact CD1-CB 4.47Å; L571-L575 HydrophobicContact CD2-CD1 3.95Å | ||
| 572 | D | 78.1 | Confident | 86.6 | Confident | 143 Ų | 143 | 48.4 Ų | 48.4 | 77% | 0.765 | 28% | 0.282 | S | S | * | . | S | Bend | trans | -69 | -42.1 | 171.5 | -59.1 | -54.3 | 0 | 0 | 0 | 112.2 | R39 | R39-D572 PolarHBondContact NH1-O 3.11Å; R39-D572 PolarHBondContact NH2-O 3.35Å |
| 573 | V | 78.9 | Confident | 86.6 | Confident | 79 Ų | 79 | 49.2 Ų | 49.2 | 48% | 0.479 | 29% | 0.286 | S | S | . | . | S | Bend | trans | -118 | 137.2 | -179 | -176.5 | 0 | 0 | 0 | 0 | 109.3 | L575 | V573-L575 PolarHBondContact O-N 2.89Š|
| 574 | P | 83.5 | Confident | 86.7 | Confident | 10 Ų | 10 | 48.7 Ų | 48.7 | 7% | 0.065 | 28% | 0.277 | C | S | . | . | trans | -61.7 | 126.2 | 173.3 | -19.8 | 31.1 | 0 | 0 | 0 | 111 | K538 | K538-P574 HydrophobicContact CD-CB 4.43Å; K538-P574 HydrophobicContact CG-CB 4.37Å | ||
| 575 | L | 89.9 | Confident | 86.8 | Confident | 15 Ų | 15 | 47.2 Ų | 47.2 | 8% | 0.079 | 27% | 0.269 | C | S | . | . | trans | -111.2 | 157.6 | 176.6 | -60.9 | 179.6 | 0 | 0 | 0 | 110.2 | T551 L571 V573 C587 K595 I597 | T551-L575 WeakPolarHBondContact CB-O 3.21Å; T551-L575 PolarHBondContact OG1-O 2.76Å; L571-L575 HydrophobicContact CD1-CB 4.47Å; L571-L575 HydrophobicContact CD2-CD1 3.95Å; V573-L575 PolarHBondContact O-N 2.89Å; L575-C587 HydrophobicContact CB-CB 4.13Å; L575-K595 HydrophobicContact CD2-CD 4.34Å; L575-I597 HydrophobicContact CD1-CD1 3.44Å; L575-I597 VanDerWaalsContact CD1-CD1 3.44Å | ||
| 576 | Y | 92 | Very high | 86.8 | Confident | 21 Ų | 21 | 45.7 Ų | 45.7 | 8% | 0.082 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 100.1 | -179.5 | -61.7 | -81.2 | 0 | 0 | 0 | 110.5 | R326 P327 K538 S539 T578 C587 L588 R590 | R326-Y576 HydrophobicContact CB-CE1 4.07Å; R326-Y576 HydrophobicContact CB-CE2 4.41Å; R326-Y576 HydrophobicContact CG-CD1 4.08Å; R326-Y576 HydrophobicContact CG-CE1 3.64Å; R326-Y576 HydrophobicContact CG-CE2 4.42Å; P327-Y576 HydrophobicContact CG-CD2 3.86Å; P327-Y576 HydrophobicContact CG-CE2 4.45Å; P327-Y576 HydrophobicContact CG-CG 4.29Å; K538-Y576 HydrophobicContact CB-CD1 4.1Å; K538-Y576 HydrophobicContact CB-CE1 3.95Å; K538-Y576 HydrophobicContact CD-CE1 4.39Å; S539-Y576 WeakPolarHBondContact OG-CA 3.26Å; Y576-T578 PolarHBondContact O-N 3.07Å; Y576-C587 CarbonylContact O-C 3.5Å; Y576-C587 VanDerWaalsContact O-CA 3.26Å; Y576-C587 WeakPolarHBondContact O-CA 3.36Å; Y576-L588 PolarHBondContact N-O 3.14Å; Y576-L588 PolarHBondContact O-N 3.47Å; Y576-R590 HydrophobicContact CE2-CG 4.36Å |
| 577 | I | 92.4 | Very high | 86.9 | Confident | 1 Ų | 1 | 44.8 Ų | 44.8 | 1% | 0.005 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -59.6 | 127.7 | 175.2 | -62.5 | 168.4 | 0 | 0 | 0 | 108.6 | S539 A541 I549 T551 I556 V580 L585 | S539-I577 PolarHBondContact OG-N 3.49Å; A541-I577 HydrophobicContact CB-CG2 3.75Å; I549-I577 HydrophobicContact CG2-CD1 3.92Å; T551-I577 HydrophobicContact CG2-CD1 3.81Å; T551-I577 HydrophobicContact CG2-CG1 3.8Å; I556-I577 HydrophobicContact CG2-CD1 4.45Å; I577-V580 HydrophobicContact CG2-CG2 4.43Å; I577-L585 HydrophobicContact CD1-CD1 4.4Å |
| 578 | T | 88.1 | Confident | 86.9 | Confident | 6 Ų | 6 | 40.2 Ų | 40.2 | 4% | 0.037 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | -40.2 | 172.3 | 57.9 | 0 | 0 | 0 | 0 | 111.2 | F329 V331 V336 Y576 I586 L588 | F329-T578 HydrophobicContact CD1-CG2 4.04Å; F329-T578 HydrophobicContact CD2-CG2 3.8Å; F329-T578 HydrophobicContact CE1-CG2 4.04Å; F329-T578 HydrophobicContact CE2-CG2 3.8Å; F329-T578 HydrophobicContact CG-CG2 3.92Å; F329-T578 HydrophobicContact CZ-CG2 3.92Å; V331-T578 WeakPolarHBondContact CG2-O 3.26Å; V336-T578 HydrophobicContact CG1-CG2 4.19Å; Y576-T578 PolarHBondContact O-N 3.07Å; T578-I586 PolarHBondContact N-O 3.44Å; T578-I586 PolarHBondContact OG1-O 3.06Å; T578-I586 VanDerWaalsContact OG1-O 3.07Å; T578-L588 HydrophobicContact CG2-CB 4.49Å; T578-L588 HydrophobicContact CG2-CD1 3.67Å; T578-L588 HydrophobicContact CG2-CG 3.71Å |
| 579 | F | 88.5 | Confident | 86.9 | Confident | 61 Ų | 61 | 38.4 Ų | 38.4 | 27% | 0.268 | 21% | 0.209 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.7 | 152 | -177.3 | -164.6 | -102.9 | 0 | 0 | 0 | 112.5 | V331 L349 I586 | V331-F579 HydrophobicContact CG1-CD2 4.14Å; L349-F579 HydrophobicContact CD1-CB 3.89Å; L349-F579 HydrophobicContact CD1-CD1 3.86Å; L349-F579 HydrophobicContact CD1-CD2 3.69Å; L349-F579 HydrophobicContact CD1-CE1 4.29Å; L349-F579 HydrophobicContact CD1-CE2 4.13Å; L349-F579 HydrophobicContact CD1-CG 3.53Å; L349-F579 HydrophobicContact CD1-CZ 4.41Å; L349-F579 HydrophobicContact CD2-CB 3.73Å; L349-F579 HydrophobicContact CD2-CD1 4.34Å; L349-F579 HydrophobicContact CD2-CG 4.15Å; L349-F579 HydrophobicContact CG-CB 4.48Å; L349-F579 HydrophobicContact CG-CG 4.43Å; F579-I586 HydrophobicContact CB-CB 4.48Å; F579-I586 PolarHBondContact N-O 2.87Å; F579-I586 PolarHBondContact O-N 3.36Å |
| 580 | V | 87.8 | Confident | 86.6 | Confident | 5 Ų | 5 | 36.2 Ų | 36.2 | 3% | 0.03 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 118.1 | 175.2 | -177.7 | 0 | 0 | 0 | 0 | 109.1 | A541 D543 I549 I577 L585 F599 | A541-V580 HydrophobicContact CB-CG2 3.98Å; D543-V580 HydrophobicContact CB-CG1 4Å; I549-V580 HydrophobicContact CB-CG2 4.29Å; I549-V580 HydrophobicContact CD1-CG1 3.81Å; I549-V580 HydrophobicContact CD1-CG2 4.18Å; I549-V580 HydrophobicContact CG1-CG2 4.48Å; I577-V580 HydrophobicContact CG2-CG2 4.43Å; V580-L585 HydrophobicContact CB-CD2 4.27Å; V580-L585 HydrophobicContact CG1-CD2 3.98Å; V580-L585 HydrophobicContact CG2-CD2 3.81Å; V580-F599 HydrophobicContact CG1-CE1 4.37Å; V580-F599 HydrophobicContact CG1-CZ 4.12Å |
| 581 | T | 83.8 | Confident | 86 | Confident | 51 Ų | 51 | 35 Ų | 35 | 31% | 0.313 | 19% | 0.191 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 157.5 | 162.5 | -51.9 | 0 | 0 | 0 | 0 | 108 | N583 S584 | T581-N583 PolarHBondContact O-N 3.06Å; T581-S584 CarbonylContact C-O 3.52Å; T581-S584 WeakPolarHBondContact CA-O 3.42Å; T581-S584 WeakPolarHBondContact CB-O 3.47Å; T581-S584 PolarHBondContact N-O 3.41Å; T581-S584 PolarHBondContact O-N 3.06Å; T581-S584 VanDerWaalsContact O-N 3.12Å; T581-S584 VanDerWaalsContact O-O 3.05Å |
| 582 | S | 79.7 | Confident | 85.9 | Confident | 69 Ų | 69 | 34.6 Ų | 34.6 | 48% | 0.483 | 19% | 0.19 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -46.5 | -36.5 | -171.9 | 47.5 | 0 | 0 | 0 | 0 | 116.1 | ||
| 583 | N | 85.4 | Confident | 86.1 | Confident | 94 Ų | 94 | 32.4 Ų | 32.4 | 50% | 0.503 | 18% | 0.175 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -127.4 | 8.8 | -178.8 | -59.9 | 9.3 | 0 | 0 | 0 | 112.7 | T581 P598 F599 | T581-N583 PolarHBondContact O-N 3.06Å; N583-P598 WeakPolarHBondContact O-CA 3.4Å; N583-F599 PolarHBondContact O-N 2.91Å |
| 584 | S | 89.3 | Confident | 86.5 | Confident | 22 Ų | 22 | 30.2 Ų | 30.2 | 15% | 0.154 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.5 | 141 | -176.3 | 61.6 | 0 | 0 | 0 | 0 | 113.9 | T581 I597 | T581-S584 CarbonylContact C-O 3.52Å; T581-S584 WeakPolarHBondContact CA-O 3.42Å; T581-S584 WeakPolarHBondContact CB-O 3.47Å; T581-S584 PolarHBondContact N-O 3.41Å; T581-S584 PolarHBondContact O-N 3.06Å; T581-S584 VanDerWaalsContact O-N 3.12Å; T581-S584 VanDerWaalsContact O-O 3.05Å; S584-I597 CarbonylContact C-O 3.54Å; S584-I597 WeakPolarHBondContact CA-O 3.29Å |
| 585 | L | 90.2 | Very high | 86.6 | Confident | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 126.7 | 177.6 | -55.2 | 172.2 | 0 | 0 | 0 | 109.1 | I549 I556 I577 V580 I597 F599 | I549-L585 HydrophobicContact CB-CD2 4.46Å; I549-L585 HydrophobicContact CD1-CD2 3.94Å; I549-L585 HydrophobicContact CG2-CD1 4.07Å; I549-L585 HydrophobicContact CG2-CD2 3.99Å; I556-L585 HydrophobicContact CD1-CD1 3.86Å; I556-L585 HydrophobicContact CG2-CD1 3.64Å; I577-L585 HydrophobicContact CD1-CD1 4.4Å; V580-L585 HydrophobicContact CB-CD2 4.27Å; V580-L585 HydrophobicContact CG1-CD2 3.98Å; V580-L585 HydrophobicContact CG2-CD2 3.81Å; L585-I597 HydrophobicContact CB-CB 4.4Å; L585-I597 PolarHBondContact N-O 2.99Å; L585-I597 PolarHBondContact O-N 2.86Å; L585-F599 HydrophobicContact CD1-CD1 4.31Å; L585-F599 HydrophobicContact CD1-CG 4.38Å; L585-F599 HydrophobicContact CD2-CD1 4.03Å; L585-F599 HydrophobicContact CD2-CE1 3.63Å; L585-F599 HydrophobicContact CD2-CZ 3.95Å; L585-F599 HydrophobicContact CG-CD1 3.68Å; L585-F599 HydrophobicContact CG-CE1 3.84Å; L585-F599 HydrophobicContact CG-CG 4.24Å; L585-F599 HydrophobicContact CG-CZ 4.48Å |
| 586 | I | 89.3 | Confident | 86.6 | Confident | 3 Ų | 3 | 38.1 Ų | 38.1 | 2% | 0.015 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 120.8 | 170.6 | -64.7 | 169.6 | 0 | 0 | 0 | 107.2 | L347 L349 T578 F579 L596 | L347-I586 HydrophobicContact CD2-CG2 3.9Å; L349-I586 HydrophobicContact CB-CD1 4.3Å; L349-I586 HydrophobicContact CD2-CB 4.25Å; L349-I586 HydrophobicContact CD2-CD1 3.51Å; L349-I586 HydrophobicContact CD2-CG1 4.45Å; L349-I586 HydrophobicContact CD2-CG2 4.03Å; T578-I586 PolarHBondContact N-O 3.44Å; T578-I586 PolarHBondContact OG1-O 3.06Å; T578-I586 VanDerWaalsContact OG1-O 3.07Å; F579-I586 HydrophobicContact CB-CB 4.48Å; F579-I586 PolarHBondContact N-O 2.87Å; F579-I586 PolarHBondContact O-N 3.36Å; I586-L596 HydrophobicContact CD1-CD1 4.31Å; I586-L596 HydrophobicContact CG1-CD1 3.58Å |
| 587 | C | 90.3 | Very high | 86.4 | Confident | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 149.7 | -174.7 | -63.2 | 0 | 0 | 0 | 0 | 111.1 | L575 Y576 S594 K595 I597 | L575-C587 HydrophobicContact CB-CB 4.13Å; Y576-C587 CarbonylContact O-C 3.5Å; Y576-C587 VanDerWaalsContact O-CA 3.26Å; Y576-C587 WeakPolarHBondContact O-CA 3.36Å; C587-S594 CarbonylContact O-C 3.56Å; C587-S594 WeakPolarHBondContact O-CA 3.41Å; C587-K595 PolarHBondContact N-O 3.11Å; C587-K595 PolarHBondContact O-N 2.87Å; C587-I597 HydrophobicContact CB-CD1 4.3Å |
| 588 | L | 89.6 | Confident | 86.3 | Confident | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 139 | 165.7 | -66.2 | 172.2 | 0 | 0 | 0 | 110.6 | P327 F329 Y338 Y576 T578 Q593 | P327-L588 HydrophobicContact CB-CB 4.5Å; P327-L588 HydrophobicContact CB-CD1 4.15Å; P327-L588 HydrophobicContact CG-CB 3.8Å; P327-L588 HydrophobicContact CG-CD1 4.15Å; F329-L588 HydrophobicContact CB-CD1 4.05Å; F329-L588 HydrophobicContact CD1-CD1 3.97Å; F329-L588 HydrophobicContact CG-CD1 4.21Å; Y338-L588 HydrophobicContact CD2-CD1 4.41Å; Y338-L588 HydrophobicContact CD2-CD2 4.27Å; Y338-L588 HydrophobicContact CE2-CD2 4.3Å; Y338-L588 HydrophobicContact CG-CD1 4.23Å; Y338-L588 HydrophobicContact CG-CD2 4.48Å; Y576-L588 PolarHBondContact N-O 3.14Å; Y576-L588 PolarHBondContact O-N 3.47Å; T578-L588 HydrophobicContact CG2-CB 4.49Å; T578-L588 HydrophobicContact CG2-CD1 3.67Å; T578-L588 HydrophobicContact CG2-CG 3.71Å; L588-Q593 CarbonylContact C-O 3.58Å; L588-Q593 WeakPolarHBondContact CA-O 3.49Å |
| 589 | G | 86.2 | Confident | 86.3 | Confident | 2 Ų | 2 | 42.2 Ų | 42.2 | 2% | 0.021 | 23% | 0.227 | C | C | . | . | trans | -74.7 | 177.4 | 167.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | P327 D591 A592 Q593 | P327-G589 WeakPolarHBondContact CG-O 3.49Å; G589-D591 VanDerWaalsContact CA-OD1 3.29Å; G589-D591 WeakPolarHBondContact CA-OD1 3.4Å; G589-D591 PolarHBondContact O-N 2.98Å; G589-A592 PolarHBondContact O-N 3.07Å; G589-A592 VanDerWaalsContact O-N 3.14Å; G589-Q593 PolarHBondContact N-O 2.87Å | ||
| 590 | R | 81.2 | Confident | 86.1 | Confident | 66 Ų | 66 | 44.4 Ų | 44.4 | 25% | 0.249 | 24% | 0.241 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.3 | -25.1 | 173.9 | -64.3 | -163.3 | -159.9 | 167.8 | 18.3 | 113.2 | E325 Y576 A592 | E325-R590 HydrophobicContact CB-CB 4.17Å; E325-R590 HydrophobicContact CB-CG 4.46Å; E325-R590 WeakPolarHBondContact O-CA 3.44Å; E325-R590 IonicContact OE1-NH1 3.42Å; E325-R590 WeakPolarHBondContact OE2-CD 3.24Å; E325-R590 IonicContact OE2-CZ 3.68Å; E325-R590 IonicContact OE2-NE 2.78Å; E325-R590 IonicContact OE2-NH1 3.81Å; E325-R590 PolarHBondContact OE2-NH1 3.45Å; Y576-R590 HydrophobicContact CE2-CG 4.36Å; R590-A592 VanDerWaalsContact C-N 3.28Å |
| 591 | D | 77.6 | Confident | 86 | Confident | 73 Ų | 73 | 44.5 Ų | 44.5 | 39% | 0.39 | 24% | 0.242 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84.9 | 5.9 | 174.6 | 56.2 | -7 | 0 | 0 | 0 | 113.4 | G589 Q593 | G589-D591 VanDerWaalsContact CA-OD1 3.29Å; G589-D591 WeakPolarHBondContact CA-OD1 3.4Å; G589-D591 PolarHBondContact O-N 2.98Å; D591-Q593 HydrophobicContact CB-CG 4.37Å; D591-Q593 PolarHBondContact O-N 3.49Å; D591-Q593 PolarHBondContact OD1-N 3.01Å; D591-Q593 VanDerWaalsContact OD2-CG 3.31Å; D591-Q593 WeakPolarHBondContact OD2-CG 3.28Å; D591-Q593 PolarHBondContact OD2-NE2 3.29Å |
| 592 | A | 81.9 | Confident | 86.1 | Confident | 6 Ų | 6 | 43.4 Ų | 43.4 | 5% | 0.05 | 24% | 0.235 | C | C | . | . | trans | 56.7 | 24 | -173.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | P327 Y338 K340 G589 R590 | P327-A592 HydrophobicContact CB-CB 3.98Å; Y338-A592 HydrophobicContact CD2-CB 4.12Å; Y338-A592 HydrophobicContact CE2-CB 4.22Å; Y338-A592 VanDerWaalsContact CE2-O 3.24Å; Y338-A592 WeakPolarHBondContact CE2-O 3.35Å; K340-A592 HydrophobicContact CB-CB 4Å; K340-A592 HydrophobicContact CG-CB 4.15Å; G589-A592 PolarHBondContact O-N 3.07Å; G589-A592 VanDerWaalsContact O-N 3.14Å; R590-A592 VanDerWaalsContact C-N 3.28Å | ||
| 593 | Q | 83.6 | Confident | 86.4 | Confident | 96 Ų | 96 | 42.4 Ų | 42.4 | 45% | 0.449 | 22% | 0.223 | S | C | . | . | trans | -77.9 | 135.7 | 167.9 | -66.5 | -175.2 | 13.2 | 0 | 0 | 110.3 | L588 G589 D591 | L588-Q593 CarbonylContact C-O 3.58Å; L588-Q593 WeakPolarHBondContact CA-O 3.49Å; G589-Q593 PolarHBondContact N-O 2.87Å; D591-Q593 HydrophobicContact CB-CG 4.37Å; D591-Q593 PolarHBondContact O-N 3.49Å; D591-Q593 PolarHBondContact OD1-N 3.01Å; D591-Q593 VanDerWaalsContact OD2-CG 3.31Å; D591-Q593 WeakPolarHBondContact OD2-CG 3.28Å; D591-Q593 PolarHBondContact OD2-NE2 3.29Å | ||
| 594 | S | 85.8 | Confident | 86.5 | Confident | 34 Ų | 34 | 38 Ų | 38 | 24% | 0.238 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.9 | 140.1 | 171.9 | 56.9 | 0 | 0 | 0 | 0 | 111.1 | C587 | C587-S594 CarbonylContact O-C 3.56Å; C587-S594 WeakPolarHBondContact O-CA 3.41Å |
| 595 | K | 86.7 | Confident | 86.4 | Confident | 94 Ų | 94 | 40.2 Ų | 40.2 | 41% | 0.409 | 21% | 0.206 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 122.8 | 176.4 | -62 | -168.2 | -179.5 | -167.5 | 0 | 109 | L575 C587 | L575-K595 HydrophobicContact CD2-CD 4.34Å; C587-K595 PolarHBondContact N-O 3.11Å; C587-K595 PolarHBondContact O-N 2.87Å |
| 596 | L | 88.7 | Confident | 86.3 | Confident | 97 Ų | 97 | 40.3 Ų | 40.3 | 51% | 0.508 | 21% | 0.206 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -87 | 126.7 | 171.2 | -171.7 | 70.5 | 0 | 0 | 0 | 108.7 | I586 | I586-L596 HydrophobicContact CD1-CD1 4.31Å; I586-L596 HydrophobicContact CG1-CD1 3.58Å |
| 597 | I | 89.2 | Confident | 86.2 | Confident | 14 Ų | 14 | 40.8 Ų | 40.8 | 7% | 0.072 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 108.4 | 179.7 | -53 | 174 | 0 | 0 | 0 | 108.1 | I556 L575 S584 L585 C587 | I556-I597 HydrophobicContact CD1-CD1 3.96Å; I556-I597 HydrophobicContact CD1-CG2 4.27Å; L575-I597 HydrophobicContact CD1-CD1 3.44Å; L575-I597 VanDerWaalsContact CD1-CD1 3.44Å; S584-I597 CarbonylContact C-O 3.54Å; S584-I597 WeakPolarHBondContact CA-O 3.29Å; L585-I597 HydrophobicContact CB-CB 4.4Å; L585-I597 PolarHBondContact N-O 2.99Å; L585-I597 PolarHBondContact O-N 2.86Å; C587-I597 HydrophobicContact CB-CD1 4.3Å |
| 598 | P | 89.3 | Confident | 86.1 | Confident | 84 Ų | 84 | 42.1 Ų | 42.1 | 55% | 0.545 | 22% | 0.215 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.6 | 144.4 | 172.3 | 28.1 | -33.5 | 0 | 0 | 0 | 110 | R569 N583 | R569-P598 PolarHBondContact NH2-O 2.81Å; N583-P598 WeakPolarHBondContact O-CA 3.4Å |
| 599 | F | 87.9 | Confident | 85.9 | Confident | 16 Ų | 16 | 42.2 Ų | 42.2 | 7% | 0.07 | 22% | 0.216 | C | C | . | . | trans | -146 | 150.7 | 174.4 | 79.4 | -66.2 | 0 | 0 | 0 | 110.4 | I549 V568 V580 N583 L585 P601 Y604 | I549-F599 HydrophobicContact CD1-CE1 4.43Å; I549-F599 HydrophobicContact CD1-CE2 3.43Å; I549-F599 VanDerWaalsContact CD1-CE2 3.43Å; I549-F599 HydrophobicContact CD1-CZ 3.38Å; V568-F599 HydrophobicContact CG1-CB 3.61Å; V568-F599 HydrophobicContact CG1-CD2 3.76Å; V568-F599 HydrophobicContact CG1-CG 4.1Å; V580-F599 HydrophobicContact CG1-CE1 4.37Å; V580-F599 HydrophobicContact CG1-CZ 4.12Å; N583-F599 PolarHBondContact O-N 2.91Å; L585-F599 HydrophobicContact CD1-CD1 4.31Å; L585-F599 HydrophobicContact CD1-CG 4.38Å; L585-F599 HydrophobicContact CD2-CD1 4.03Å; L585-F599 HydrophobicContact CD2-CE1 3.63Å; L585-F599 HydrophobicContact CD2-CZ 3.95Å; L585-F599 HydrophobicContact CG-CD1 3.68Å; L585-F599 HydrophobicContact CG-CE1 3.84Å; L585-F599 HydrophobicContact CG-CG 4.24Å; L585-F599 HydrophobicContact CG-CZ 4.48Å; F599-P601 HydrophobicContact CE2-CB 4.49Å; F599-P601 WeakPolarHBondContact O-CD 3.28Å; F599-Y604 AromaticContact CE2-CE1 3.75Å; F599-Y604 HydrophobicContact CE2-CE1 3.75Å; F599-Y604 HydrophobicContact CZ-CE1 4.37Å | ||
| 600 | D | 84.5 | Confident | 85.9 | Confident | 107 Ų | 107 | 42.9 Ų | 42.9 | 57% | 0.572 | 22% | 0.219 | S | C | * | . | trans | -87.4 | 117.9 | 176.6 | -177.3 | 8.8 | 0 | 0 | 0 | 109.7 | T602 | D600-T602 VanDerWaalsContact C-N 3.3Å; D600-T602 WeakPolarHBondContact OD1-CB 3.47Å; D600-T602 PolarHBondContact OD1-N 3.4Å; D600-T602 PolarHBondContact OD1-OG1 3.23Å | ||
| 601 | P | 86.9 | Confident | 86.1 | Confident | 6 Ų | 6 | 42.5 Ų | 42.5 | 4% | 0.039 | 22% | 0.222 | C | C | . | . | trans | -83.7 | -3 | 177.4 | 36.6 | -38.9 | 0 | 0 | 0 | 113.9 | F599 E603 Y604 K605 | F599-P601 HydrophobicContact CE2-CB 4.49Å; F599-P601 WeakPolarHBondContact O-CD 3.28Å; P601-E603 PolarHBondContact O-N 2.7Å; P601-Y604 HydrophobicContact CB-CD1 4.14Å; P601-Y604 HydrophobicContact CB-CE1 3.27Å; P601-Y604 WeakPolarHBondContact CB-OH 3.43Å; P601-Y604 VanDerWaalsContact O-CD1 3.32Å; P601-Y604 WeakPolarHBondContact O-CD1 3.49Å; P601-Y604 PolarHBondContact O-N 3.04Å; P601-K605 HydrophobicContact CB-CD 3.99Å; P601-K605 HydrophobicContact CB-CG 4.38Å; P601-K605 HydrophobicContact CG-CD 4.08Å; P601-K605 WeakPolarHBondContact O-CB 3.32Å; P601-K605 WeakPolarHBondContact O-CG 3.46Å; P601-K605 PolarHBondContact O-N 2.9Å | ||
| 602 | T | 85.1 | Confident | 86.5 | Confident | 29 Ų | 29 | 42.8 Ų | 42.8 | 18% | 0.178 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -58.5 | -41.6 | -169.2 | -59.2 | 0 | 0 | 0 | 0 | 113.1 | D600 Y604 K605 F606 C625 L627 | D600-T602 VanDerWaalsContact C-N 3.3Å; D600-T602 WeakPolarHBondContact OD1-CB 3.47Å; D600-T602 PolarHBondContact OD1-N 3.4Å; D600-T602 PolarHBondContact OD1-OG1 3.23Å; T602-Y604 PolarHBondContact O-N 2.84Å; T602-K605 PolarHBondContact O-N 3.26Å; T602-F606 VanDerWaalsContact O-CB 3.26Å; T602-F606 WeakPolarHBondContact O-CB 3.44Å; T602-F606 PolarHBondContact O-N 3.43Å; T602-C625 HydrophobicContact CG2-CB 3.82Å; T602-L627 HydrophobicContact CG2-CD2 3.72Å; T602-L627 HydrophobicContact CG2-CG 4.26Å |
| 603 | E | 86.1 | Confident | 86.5 | Confident | 47 Ų | 47 | 52.6 Ų | 52.6 | 22% | 0.22 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -61.5 | -48.1 | -179.4 | -165.2 | -153.7 | 161.7 | 0 | 0 | 112.5 | Y558 P601 K607 I632 | Y558-E603 WeakPolarHBondContact CE1-OE2 3.19Å; Y558-E603 PolarHBondContact OH-OE1 3.14Å; Y558-E603 PolarHBondContact OH-OE2 2.83Å; Y558-E603 VanDerWaalsContact OH-OE2 3.13Å; P601-E603 PolarHBondContact O-N 2.7Å; E603-K607 WeakPolarHBondContact O-CG 3.5Å; E603-K607 PolarHBondContact O-N 3.46Å; E603-K607 VanDerWaalsContact O-N 3.08Å; E603-K607 VanDerWaalsContact OE1-CE 3.29Å; E603-K607 WeakPolarHBondContact OE1-CE 3.39Å; E603-K607 IonicContact OE1-NZ 2.76Å; E603-K607 PolarHBondContact OE1-NZ 3Å; E603-I632 HydrophobicContact CG-CG1 4.44Å |
| 604 | Y | 87.1 | Confident | 86.5 | Confident | 2 Ų | 2 | 53.9 Ų | 53.9 | 1% | 0.008 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -76.5 | -31.1 | -177.9 | 78.2 | -103.6 | 0 | 0 | 0 | 112.1 | D543 V547 F599 P601 T602 K607 L608 | D543-Y604 WeakPolarHBondContact OD2-CE2 3.37Å; D543-Y604 PolarHBondContact OD2-OH 3.14Å; V547-Y604 HydrophobicContact CB-CD2 4.15Å; V547-Y604 HydrophobicContact CB-CE2 4.1Å; V547-Y604 HydrophobicContact CG1-CD2 4.07Å; V547-Y604 HydrophobicContact CG1-CE2 4.34Å; V547-Y604 HydrophobicContact CG1-CG 4.31Å; V547-Y604 HydrophobicContact CG2-CD2 3.65Å; V547-Y604 HydrophobicContact CG2-CE2 3.85Å; F599-Y604 AromaticContact CE2-CE1 3.75Å; F599-Y604 HydrophobicContact CE2-CE1 3.75Å; F599-Y604 HydrophobicContact CZ-CE1 4.37Å; P601-Y604 HydrophobicContact CB-CD1 4.14Å; P601-Y604 HydrophobicContact CB-CE1 3.27Å; P601-Y604 WeakPolarHBondContact CB-OH 3.43Å; P601-Y604 VanDerWaalsContact O-CD1 3.32Å; P601-Y604 WeakPolarHBondContact O-CD1 3.49Å; P601-Y604 PolarHBondContact O-N 3.04Å; T602-Y604 PolarHBondContact O-N 2.84Å; Y604-K607 PolarHBondContact O-N 2.78Å; Y604-L608 VanDerWaalsContact O-CB 3.23Å; Y604-L608 WeakPolarHBondContact O-CB 3.36Å; Y604-L608 PolarHBondContact O-N 3.06Å |
| 605 | K | 87.9 | Confident | 86 | Confident | 69 Ų | 69 | 56 Ų | 56 | 30% | 0.3 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -63.9 | -43.5 | 171.6 | -75.5 | 176 | 177 | 172 | 0 | 111.4 | P601 T602 L608 A609 M621 | P601-K605 HydrophobicContact CB-CD 3.99Å; P601-K605 HydrophobicContact CB-CG 4.38Å; P601-K605 HydrophobicContact CG-CD 4.08Å; P601-K605 WeakPolarHBondContact O-CB 3.32Å; P601-K605 WeakPolarHBondContact O-CG 3.46Å; P601-K605 PolarHBondContact O-N 2.9Å; T602-K605 PolarHBondContact O-N 3.26Å; K605-L608 PolarHBondContact O-N 3.44Å; K605-A609 WeakPolarHBondContact O-CB 3.43Å; K605-A609 PolarHBondContact O-N 3.11Å; K605-M621 HydrophobicContact CB-SD 4.44Å |
| 606 | F | 87.3 | Confident | 85.7 | Confident | 1 Ų | 1 | 57.5 Ų | 57.5 | 0% | 0.004 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -59 | -49.4 | 174 | 179.2 | -99.2 | 0 | 0 | 0 | 111.4 | T602 L608 A609 L610 V618 M621 V622 L627 I632 L636 F648 | T602-F606 VanDerWaalsContact O-CB 3.26Å; T602-F606 WeakPolarHBondContact O-CB 3.44Å; T602-F606 PolarHBondContact O-N 3.43Å; F606-L608 PolarHBondContact O-N 3.16Å; F606-A609 PolarHBondContact O-N 3.39Å; F606-L610 HydrophobicContact CD1-CD1 4.23Å; F606-L610 HydrophobicContact CE1-CD1 3.59Å; F606-L610 HydrophobicContact CE2-CD1 4.26Å; F606-L610 HydrophobicContact CZ-CD1 3.61Å; F606-L610 PolarHBondContact O-N 2.92Å; F606-V618 HydrophobicContact CE2-CG1 3.9Å; F606-V618 HydrophobicContact CZ-CG1 4.44Å; F606-M621 HydrophobicContact CB-SD 4.17Å; F606-M621 HydrophobicContact CD2-CB 4.25Å; F606-V622 HydrophobicContact CE2-CG2 4.09Å; F606-L627 HydrophobicContact CB-CD2 3.86Å; F606-L627 HydrophobicContact CD1-CD2 4.41Å; F606-L627 HydrophobicContact CD2-CD1 3.56Å; F606-L627 HydrophobicContact CD2-CD2 4.09Å; F606-L627 HydrophobicContact CE2-CD1 3.72Å; F606-L627 HydrophobicContact CG-CD1 4.18Å; F606-L627 HydrophobicContact CG-CD2 3.87Å; F606-L627 HydrophobicContact CZ-CD1 4.45Å; F606-I632 HydrophobicContact CD1-CG2 4.15Å; F606-I632 HydrophobicContact CE1-CG2 3.69Å; F606-I632 HydrophobicContact CZ-CG2 4.35Å; F606-L636 HydrophobicContact CE1-CD1 4.36Å; F606-L636 HydrophobicContact CE1-CD2 3.98Å; F606-L636 HydrophobicContact CE1-CG 4.29Å; F606-L636 HydrophobicContact CZ-CD1 4.2Å; F606-L636 HydrophobicContact CZ-CD2 4.03Å; F606-L636 HydrophobicContact CZ-CG 4.49Å; F606-F648 HydrophobicContact CZ-CE2 4.46Å |
| 607 | K | 87.7 | Confident | 85.4 | Confident | 13 Ų | 13 | 56.9 Ų | 56.9 | 6% | 0.057 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -59.9 | -43.2 | 175.3 | -68.5 | -178.2 | -173.8 | 169.6 | 0 | 112.3 | Y558 I560 E603 Y604 L610 I611 Y635 | Y558-K607 PolarHBondContact OH-NZ 3.28Å; I560-K607 HydrophobicContact CD1-CB 3.98Å; E603-K607 WeakPolarHBondContact O-CG 3.5Å; E603-K607 PolarHBondContact O-N 3.46Å; E603-K607 VanDerWaalsContact O-N 3.08Å; E603-K607 VanDerWaalsContact OE1-CE 3.29Å; E603-K607 WeakPolarHBondContact OE1-CE 3.39Å; E603-K607 IonicContact OE1-NZ 2.76Å; E603-K607 PolarHBondContact OE1-NZ 3Å; Y604-K607 PolarHBondContact O-N 2.78Å; K607-L610 WeakPolarHBondContact O-CB 3.44Å; K607-L610 PolarHBondContact O-N 2.65Å; K607-I611 WeakPolarHBondContact O-CD1 3.46Å; K607-I611 WeakPolarHBondContact O-CG1 3.4Å; K607-I611 PolarHBondContact O-N 2.88Å; K607-Y635 HydrophobicContact CB-CE1 4.35Å; K607-Y635 HydrophobicContact CD-CD2 4.25Å; K607-Y635 HydrophobicContact CD-CE1 4.23Å; K607-Y635 HydrophobicContact CD-CE2 3.87Å; K607-Y635 HydrophobicContact CG-CD1 4.18Å; K607-Y635 HydrophobicContact CG-CE1 3.68Å; K607-Y635 HydrophobicContact CG-CE2 4.22Å |
| 608 | L | 86.8 | Confident | 85.1 | Confident | 28 Ų | 28 | 56.4 Ų | 56.4 | 15% | 0.147 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -64.1 | -41.9 | 178.9 | -175.6 | 65.3 | 0 | 0 | 0 | 112.2 | N545 I560 Y604 K605 F606 L610 I611 N612 | N545-L608 HydrophobicContact CB-CD2 3.8Å; I560-L608 HydrophobicContact CG2-CD1 4.28Å; Y604-L608 VanDerWaalsContact O-CB 3.23Å; Y604-L608 WeakPolarHBondContact O-CB 3.36Å; Y604-L608 PolarHBondContact O-N 3.06Å; K605-L608 PolarHBondContact O-N 3.44Å; F606-L608 PolarHBondContact O-N 3.16Å; L608-L610 VanDerWaalsContact C-N 3.32Å; L608-L610 PolarHBondContact O-N 3.08Å; L608-I611 PolarHBondContact O-N 3.49Å; L608-N612 VanDerWaalsContact O-CB 3.27Å; L608-N612 WeakPolarHBondContact O-CB 3.23Å; L608-N612 VanDerWaalsContact O-CG 3.27Å; L608-N612 PolarHBondContact O-N 3.21Å; L608-N612 PolarHBondContact O-ND2 3.1Å |
| 609 | A | 87 | Confident | 84.4 | Confident | 2 Ų | 2 | 54.9 Ų | 54.9 | 2% | 0.017 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -63.8 | -38.1 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | K605 F606 N612 R613 R614 E617 V618 M621 | K605-A609 WeakPolarHBondContact O-CB 3.43Å; K605-A609 PolarHBondContact O-N 3.11Å; F606-A609 PolarHBondContact O-N 3.39Å; A609-N612 CarbonylContact O-C 3.59Å; A609-N612 PolarHBondContact O-N 3.3Å; A609-R613 PolarHBondContact O-N 3.16Å; A609-R614 HydrophobicContact CB-CB 4.35Å; A609-R614 PolarHBondContact O-N 2.92Å; A609-E617 HydrophobicContact CB-CB 4.15Å; A609-V618 HydrophobicContact CB-CG2 3.79Å; A609-M621 HydrophobicContact CB-CE 3.53Å |
| 610 | L | 85.5 | Confident | 84.1 | Confident | 16 Ų | 16 | 58.6 Ų | 58.6 | 8% | 0.084 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -64.4 | -45.2 | 174.3 | -126.9 | 126.3 | 0 | 0 | 0 | 112.3 | F606 K607 L608 R613 V618 L636 Y641 | F606-L610 HydrophobicContact CD1-CD1 4.23Å; F606-L610 HydrophobicContact CE1-CD1 3.59Å; F606-L610 HydrophobicContact CE2-CD1 4.26Å; F606-L610 HydrophobicContact CZ-CD1 3.61Å; F606-L610 PolarHBondContact O-N 2.92Å; K607-L610 WeakPolarHBondContact O-CB 3.44Å; K607-L610 PolarHBondContact O-N 2.65Å; L608-L610 VanDerWaalsContact C-N 3.32Å; L608-L610 PolarHBondContact O-N 3.08Å; L610-R613 PolarHBondContact O-N 3.07Å; L610-V618 HydrophobicContact CD1-CG1 4.3Å; L610-V618 HydrophobicContact CD1-CG2 4.4Å; L610-V618 HydrophobicContact CG-CG2 4.49Å; L610-L636 HydrophobicContact CD1-CD2 3.6Å; L610-L636 HydrophobicContact CD2-CD2 4.29Å; L610-Y641 HydrophobicContact CD2-CD2 3.51Å; L610-Y641 HydrophobicContact CD2-CE2 3.51Å; L610-Y641 HydrophobicContact CD2-CG 4.19Å |
| 611 | I | 85.3 | Confident | 84 | Confident | 58 Ų | 58 | 54.7 Ų | 54.7 | 30% | 0.297 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -62.5 | -44 | 176.1 | -67.4 | 156.8 | 0 | 0 | 0 | 110.7 | I560 N562 K607 L608 R613 | I560-I611 HydrophobicContact CD1-CD1 4.12Å; I560-I611 HydrophobicContact CG2-CD1 4.21Å; N562-I611 VanDerWaalsContact ND2-CD1 3.28Å; N562-I611 WeakPolarHBondContact ND2-CD1 3.37Å; K607-I611 WeakPolarHBondContact O-CD1 3.46Å; K607-I611 WeakPolarHBondContact O-CG1 3.4Å; K607-I611 PolarHBondContact O-N 2.88Å; L608-I611 PolarHBondContact O-N 3.49Å; I611-R613 PolarHBondContact O-N 3.23Å |
| 612 | N | 85.6 | Confident | 83.4 | Confident | 79 Ų | 79 | 55.8 Ų | 55.8 | 42% | 0.422 | 26% | 0.263 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.3 | 5.6 | 179.1 | -67 | -20.6 | 0 | 0 | 0 | 113.6 | L608 A609 R614 | L608-N612 VanDerWaalsContact O-CB 3.27Å; L608-N612 WeakPolarHBondContact O-CB 3.23Å; L608-N612 VanDerWaalsContact O-CG 3.27Å; L608-N612 PolarHBondContact O-N 3.21Å; L608-N612 PolarHBondContact O-ND2 3.1Å; A609-N612 CarbonylContact O-C 3.59Å; A609-N612 PolarHBondContact O-N 3.3Å; N612-R614 HydrophobicContact CB-CG 4.05Å; N612-R614 PolarHBondContact O-N 3.04Å |
| 613 | R | 82.4 | Confident | 82.8 | Confident | 212 Ų | 212 | 61.9 Ų | 61.9 | 80% | 0.8 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.9 | 31.6 | 179.9 | -56.5 | -176.3 | 178.1 | -168.7 | -2.1 | 114.9 | A609 L610 I611 Q615 | A609-R613 PolarHBondContact O-N 3.16Å; L610-R613 PolarHBondContact O-N 3.07Å; I611-R613 PolarHBondContact O-N 3.23Å; R613-Q615 PolarHBondContact O-N 2.89Å |
| 614 | R | 83.9 | Confident | 82.5 | Confident | 123 Ų | 123 | 66.3 Ų | 66.3 | 46% | 0.464 | 30% | 0.303 | S | S | . | . | trans | -82.6 | 79.9 | 179.9 | -60.9 | -172.2 | -171.8 | 173.7 | 3.2 | 111.1 | A609 N612 D616 E617 V618 | A609-R614 HydrophobicContact CB-CB 4.35Å; A609-R614 PolarHBondContact O-N 2.92Å; N612-R614 HydrophobicContact CB-CG 4.05Å; N612-R614 PolarHBondContact O-N 3.04Å; R614-D616 VanDerWaalsContact C-N 3.35Å; R614-D616 PolarHBondContact O-N 3.03Å; R614-E617 HydrophobicContact CB-CB 4.03Å; R614-E617 HydrophobicContact CB-CG 4.22Å; R614-E617 WeakPolarHBondContact CD-OE1 3.36Å; R614-E617 VanDerWaalsContact CD-OE2 3.3Å; R614-E617 WeakPolarHBondContact CD-OE2 3.42Å; R614-E617 IonicContact CZ-OE1 3.46Å; R614-E617 IonicContact NE-OE1 2.64Å; R614-E617 IonicContact NH1-OE1 2.71Å; R614-E617 PolarHBondContact NH1-OE1 3.46Å; R614-E617 IonicContact NH1-OE2 3.27Å; R614-E617 PolarHBondContact NH1-OE2 3.36Å; R614-E617 PolarHBondContact O-N 3.31Å; R614-V618 WeakPolarHBondContact O-CG2 3.43Å; R614-V618 PolarHBondContact O-N 3.46Å | ||
| 615 | Q | 75.5 | Confident | 81.7 | Confident | 80 Ų | 80 | 68.3 Ų | 68.3 | 37% | 0.374 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -55.1 | -44.4 | -173.4 | -67.9 | 176 | -21.5 | 0 | 0 | 113.5 | R613 V618 L619 F825 | R613-Q615 PolarHBondContact O-N 2.89Å; Q615-V618 PolarHBondContact O-N 3.2Å; Q615-L619 PolarHBondContact O-N 3.07Å; Q615-F825 HydrophobicContact CB-CE1 4.13Å; Q615-F825 HydrophobicContact CG-CE1 4.19Å; Q615-F825 HydrophobicContact CG-CZ 4.23Å |
| 616 | D | 81 | Confident | 80.7 | Confident | 125 Ų | 125 | 72.1 Ų | 72.1 | 67% | 0.668 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -66.9 | -39.4 | -178.5 | -55 | -52.4 | 0 | 0 | 0 | 112.2 | R614 N620 | R614-D616 VanDerWaalsContact C-N 3.35Å; R614-D616 PolarHBondContact O-N 3.03Å; D616-N620 WeakPolarHBondContact O-CB 3.31Å; D616-N620 PolarHBondContact O-N 3.09Å |
| 617 | E | 81.5 | Confident | 79.9 | Confident | 84 Ų | 84 | 72.7 Ų | 72.7 | 39% | 0.393 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -63.7 | -42.6 | 173.4 | -74.4 | -176.2 | -162.3 | 0 | 0 | 111.3 | A609 R614 N620 M621 | A609-E617 HydrophobicContact CB-CB 4.15Å; R614-E617 HydrophobicContact CB-CB 4.03Å; R614-E617 HydrophobicContact CB-CG 4.22Å; R614-E617 WeakPolarHBondContact CD-OE1 3.36Å; R614-E617 VanDerWaalsContact CD-OE2 3.3Å; R614-E617 WeakPolarHBondContact CD-OE2 3.42Å; R614-E617 IonicContact CZ-OE1 3.46Å; R614-E617 IonicContact NE-OE1 2.64Å; R614-E617 IonicContact NH1-OE1 2.71Å; R614-E617 PolarHBondContact NH1-OE1 3.46Å; R614-E617 IonicContact NH1-OE2 3.27Å; R614-E617 PolarHBondContact NH1-OE2 3.36Å; R614-E617 PolarHBondContact O-N 3.31Å; E617-N620 PolarHBondContact O-N 3Å; E617-M621 HydrophobicContact CB-CE 4Å; E617-M621 WeakPolarHBondContact O-CB 3.36Å; E617-M621 WeakPolarHBondContact O-CE 3.44Å; E617-M621 WeakPolarHBondContact O-CG 3.19Å; E617-M621 PolarHBondContact O-N 3.21Å |
| 618 | V | 82.1 | Confident | 78.6 | Confident | 4 Ų | 4 | 78.2 Ų | 78.2 | 2% | 0.024 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -63.1 | -50.1 | 177.4 | 172.8 | 0 | 0 | 0 | 0 | 110.6 | F606 A609 L610 R614 Q615 N620 M621 V622 I644 | F606-V618 HydrophobicContact CE2-CG1 3.9Å; F606-V618 HydrophobicContact CZ-CG1 4.44Å; A609-V618 HydrophobicContact CB-CG2 3.79Å; L610-V618 HydrophobicContact CD1-CG1 4.3Å; L610-V618 HydrophobicContact CD1-CG2 4.4Å; L610-V618 HydrophobicContact CG-CG2 4.49Å; R614-V618 WeakPolarHBondContact O-CG2 3.43Å; R614-V618 PolarHBondContact O-N 3.46Å; Q615-V618 PolarHBondContact O-N 3.2Å; V618-N620 VanDerWaalsContact C-N 3.34Å; V618-N620 PolarHBondContact O-N 2.88Å; V618-M621 PolarHBondContact O-N 2.88Å; V618-V622 HydrophobicContact CG1-CG2 4.29Å; V618-V622 WeakPolarHBondContact O-CG2 3.1Å; V618-V622 PolarHBondContact O-N 2.76Å; V618-I644 HydrophobicContact CG1-CD1 4.31Å |
| 619 | L | 75.8 | Confident | 77.6 | Confident | 52 Ų | 52 | 78.1 Ų | 78.1 | 27% | 0.272 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -61 | -41.1 | 177.2 | -79.3 | 173.6 | 0 | 0 | 0 | 112.6 | Q615 V622 R623 F825 | Q615-L619 PolarHBondContact O-N 3.07Å; L619-V622 PolarHBondContact O-N 2.54Å; L619-R623 WeakPolarHBondContact O-CG 3.47Å; L619-R623 PolarHBondContact O-N 3.42Å; L619-F825 HydrophobicContact CD1-CD1 3.95Å; L619-F825 HydrophobicContact CD1-CE1 4.35Å; L619-F825 HydrophobicContact CD2-CD1 3.75Å; L619-F825 HydrophobicContact CD2-CE1 4.33Å; L619-F825 HydrophobicContact CG-CD1 3.78Å; L619-F825 HydrophobicContact CG-CE1 3.98Å |
| 620 | N | 82 | Confident | 76.8 | Confident | 93 Ų | 93 | 84.5 Ų | 84.5 | 50% | 0.497 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -64.9 | -41.6 | 177.4 | -169.4 | 18.1 | 0 | 0 | 0 | 111.4 | D616 E617 V618 R623 H624 | D616-N620 WeakPolarHBondContact O-CB 3.31Å; D616-N620 PolarHBondContact O-N 3.09Å; E617-N620 PolarHBondContact O-N 3Å; V618-N620 VanDerWaalsContact C-N 3.34Å; V618-N620 PolarHBondContact O-N 2.88Å; N620-R623 PolarHBondContact O-N 2.78Å; N620-H624 PolarHBondContact O-N 2.67Å; N620-H624 PolarHBondContact O-ND1 3.14Å; N620-H624 PolarHBondContact OD1-CE1 2.8Å; N620-H624 PolarHBondContact OD1-ND1 3.44Å |
| 621 | M | 80.6 | Confident | 76.2 | Confident | 25 Ų | 25 | 87.4 Ų | 87.4 | 12% | 0.123 | 44% | 0.435 | C | S | . | . | H | α-helix | trans | -65.7 | -39.8 | 172.9 | -76.6 | -173.7 | -90.2 | 0 | 0 | 112.6 | K605 F606 A609 E617 V618 R623 C625 L627 | K605-M621 HydrophobicContact CB-SD 4.44Å; F606-M621 HydrophobicContact CB-SD 4.17Å; F606-M621 HydrophobicContact CD2-CB 4.25Å; A609-M621 HydrophobicContact CB-CE 3.53Å; E617-M621 HydrophobicContact CB-CE 4Å; E617-M621 WeakPolarHBondContact O-CB 3.36Å; E617-M621 WeakPolarHBondContact O-CE 3.44Å; E617-M621 WeakPolarHBondContact O-CG 3.19Å; E617-M621 PolarHBondContact O-N 3.21Å; V618-M621 PolarHBondContact O-N 2.88Å; M621-R623 VanDerWaalsContact C-N 3.31Å; M621-R623 PolarHBondContact O-N 3.28Å; M621-C625 HydrophobicContact CB-CB 4.41Å; M621-C625 WeakPolarHBondContact O-CA 3.26Å; M621-C625 WeakPolarHBondContact O-CB 3.24Å; M621-C625 PolarHBondContact O-N 3.11Å; M621-L627 HydrophobicContact CB-CD1 4.3Å |
| 622 | V | 74.5 | Confident | 76 | Confident | 29 Ų | 29 | 85.1 Ų | 85.1 | 18% | 0.176 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -60.7 | -40.6 | 175.8 | 172.4 | 0 | 0 | 0 | 0 | 111.3 | F606 V618 L619 I644 H647 F648 | F606-V622 HydrophobicContact CE2-CG2 4.09Å; V618-V622 HydrophobicContact CG1-CG2 4.29Å; V618-V622 WeakPolarHBondContact O-CG2 3.1Å; V618-V622 PolarHBondContact O-N 2.76Å; L619-V622 PolarHBondContact O-N 2.54Å; V622-I644 HydrophobicContact CG2-CG2 3.93Å; V622-H647 HydrophobicContact CG1-CB 4.37Å; V622-F648 HydrophobicContact CB-CZ 3.96Å; V622-F648 HydrophobicContact CG1-CE1 4.23Å; V622-F648 HydrophobicContact CG1-CE2 4.28Å; V622-F648 HydrophobicContact CG1-CZ 3.83Å; V622-F648 HydrophobicContact CG2-CE2 3.94Å; V622-F648 HydrophobicContact CG2-CZ 3.6Å |
| 623 | R | 74 | Confident | 75.6 | Confident | 157 Ų | 157 | 82 Ų | 82 | 59% | 0.592 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -77 | -36.1 | -177.4 | -71.2 | 176.5 | -177.8 | -171.7 | 0.9 | 114.1 | L619 N620 M621 | L619-R623 WeakPolarHBondContact O-CG 3.47Å; L619-R623 PolarHBondContact O-N 3.42Å; N620-R623 PolarHBondContact O-N 2.78Å; M621-R623 VanDerWaalsContact C-N 3.31Å; M621-R623 PolarHBondContact O-N 3.28Å |
| 624 | H | 78.1 | Confident | 75.4 | Confident | 141 Ų | 141 | 73.5 Ų | 73.5 | 65% | 0.653 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -120 | -15.3 | -167.7 | -54.7 | 110 | 0 | 0 | 0 | 115.3 | N620 | N620-H624 PolarHBondContact O-N 2.67Å; N620-H624 PolarHBondContact O-ND1 3.14Å; N620-H624 PolarHBondContact OD1-CE1 2.8Å; N620-H624 PolarHBondContact OD1-ND1 3.44Å |
| 625 | C | 70.6 | Confident | 75.3 | Confident | 44 Ų | 44 | 69 Ų | 69 | 30% | 0.297 | 37% | 0.368 | S | S | . | . | S | Bend | trans | -101.4 | 136.1 | -179.8 | -58.2 | 0 | 0 | 0 | 0 | 111.4 | T602 M621 L627 | T602-C625 HydrophobicContact CG2-CB 3.82Å; M621-C625 HydrophobicContact CB-CB 4.41Å; M621-C625 WeakPolarHBondContact O-CA 3.26Å; M621-C625 WeakPolarHBondContact O-CB 3.24Å; M621-C625 PolarHBondContact O-N 3.11Å; C625-L627 HydrophobicContact CB-CG 4.39Å; C625-L627 PolarHBondContact O-N 2.88Å |
| 626 | N | 68.4 | Low | 75.7 | Confident | 148 Ų | 148 | 65.1 Ų | 65.1 | 79% | 0.791 | 35% | 0.35 | S | S | * | . | trans | -73.2 | 71.8 | 175.8 | -78.2 | -23.5 | 0 | 0 | 0 | 111.6 | V628 | N626-V628 HydrophobicContact CB-CG2 4.22Å; N626-V628 PolarHBondContact O-N 3.39Å | ||
| 627 | L | 69.2 | Low | 75.5 | Confident | 13 Ų | 13 | 62.8 Ų | 62.8 | 7% | 0.068 | 34% | 0.335 | C | S | . | . | trans | -74.1 | 63.5 | 173.6 | -70 | 160.8 | 0 | 0 | 0 | 110.7 | T602 F606 M621 C625 G629 I632 F648 | T602-L627 HydrophobicContact CG2-CD2 3.72Å; T602-L627 HydrophobicContact CG2-CG 4.26Å; F606-L627 HydrophobicContact CB-CD2 3.86Å; F606-L627 HydrophobicContact CD1-CD2 4.41Å; F606-L627 HydrophobicContact CD2-CD1 3.56Å; F606-L627 HydrophobicContact CD2-CD2 4.09Å; F606-L627 HydrophobicContact CE2-CD1 3.72Å; F606-L627 HydrophobicContact CG-CD1 4.18Å; F606-L627 HydrophobicContact CG-CD2 3.87Å; F606-L627 HydrophobicContact CZ-CD1 4.45Å; M621-L627 HydrophobicContact CB-CD1 4.3Å; C625-L627 HydrophobicContact CB-CG 4.39Å; C625-L627 PolarHBondContact O-N 2.88Å; L627-G629 PolarHBondContact O-N 3.22Å; L627-I632 HydrophobicContact CB-CD1 3.86Å; L627-I632 HydrophobicContact CD2-CD1 3.75Å; L627-I632 HydrophobicContact CG-CD1 4.44Å; L627-F648 HydrophobicContact CB-CD1 4.47Å; L627-F648 HydrophobicContact CB-CE1 3.72Å; L627-F648 HydrophobicContact CB-CZ 4.03Å; L627-F648 HydrophobicContact CD1-CE1 3.94Å; L627-F648 HydrophobicContact CD1-CZ 3.55Å; L627-F648 HydrophobicContact CG-CE1 4.46Å; L627-F648 HydrophobicContact CG-CZ 4.44Å | ||
| 628 | V | 61 | Low | 75.6 | Confident | 130 Ų | 130 | 67.6 Ų | 67.6 | 79% | 0.788 | 36% | 0.355 | S | S | * | . | trans | -82.9 | 109 | -176.9 | -174 | 0 | 0 | 0 | 0 | 110.5 | N626 | N626-V628 HydrophobicContact CB-CG2 4.22Å; N626-V628 PolarHBondContact O-N 3.39Å | ||
| 629 | G | 64.9 | Low | 75.6 | Confident | 26 Ų | 26 | 71.5 Ų | 71.5 | 27% | 0.268 | 37% | 0.372 | S | S | . | . | trans | 164.4 | 140.4 | 164.7 | 0 | 0 | 0 | 0 | 0 | 116.4 | L627 S631 I632 I633 | L627-G629 PolarHBondContact O-N 3.22Å; G629-S631 PolarHBondContact O-N 3.12Å; G629-S631 VanDerWaalsContact O-N 3.14Å; G629-I632 PolarHBondContact O-N 3.47Å; G629-I633 PolarHBondContact O-N 2.96Å | ||
| 630 | Q | 70.4 | Confident | 75.5 | Confident | 136 Ų | 136 | 71.7 Ų | 71.7 | 64% | 0.636 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -56 | -24 | 166.2 | -69.2 | -68.8 | -4 | 0 | 0 | 112.8 | I632 G634 | Q630-I632 VanDerWaalsContact C-N 3.32Å; Q630-I632 PolarHBondContact O-N 3.22Å; Q630-G634 PolarHBondContact O-N 2.93Å |
| 631 | S | 73.9 | Confident | 75.3 | Confident | 76 Ų | 76 | 71.1 Ų | 71.1 | 53% | 0.531 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -63.4 | -34 | 173.9 | 50.4 | 0 | 0 | 0 | 0 | 113.5 | G629 Y635 | G629-S631 PolarHBondContact O-N 3.12Å; G629-S631 VanDerWaalsContact O-N 3.14Å; S631-Y635 VanDerWaalsContact O-CB 3.24Å; S631-Y635 WeakPolarHBondContact O-CB 3.39Å; S631-Y635 PolarHBondContact O-N 3.49Å; S631-Y635 VanDerWaalsContact O-N 3.11Å |
| 632 | I | 80.1 | Confident | 75 | Confident | 10 Ų | 10 | 71 Ų | 71 | 5% | 0.051 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -80.4 | -42.8 | 179.7 | -60.6 | 172.3 | 0 | 0 | 0 | 109.5 | E603 F606 L627 G629 Q630 Y635 L636 | E603-I632 HydrophobicContact CG-CG1 4.44Å; F606-I632 HydrophobicContact CD1-CG2 4.15Å; F606-I632 HydrophobicContact CE1-CG2 3.69Å; F606-I632 HydrophobicContact CZ-CG2 4.35Å; L627-I632 HydrophobicContact CB-CD1 3.86Å; L627-I632 HydrophobicContact CD2-CD1 3.75Å; L627-I632 HydrophobicContact CG-CD1 4.44Å; G629-I632 PolarHBondContact O-N 3.47Å; Q630-I632 VanDerWaalsContact C-N 3.32Å; Q630-I632 PolarHBondContact O-N 3.22Å; I632-Y635 PolarHBondContact O-N 3.47Å; I632-L636 HydrophobicContact CG2-CD1 4.14Å; I632-L636 HydrophobicContact CG2-CG 4.45Å; I632-L636 WeakPolarHBondContact O-CB 3.34Å; I632-L636 WeakPolarHBondContact O-CG 3.48Å; I632-L636 PolarHBondContact O-N 3.34Å |
| 633 | I | 76.9 | Confident | 75 | Confident | 14 Ų | 14 | 73 Ų | 73 | 7% | 0.072 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -56.9 | -53 | 173.7 | -65.6 | 159.7 | 0 | 0 | 0 | 110.2 | G629 Y635 L636 Q637 A645 F648 V649 | G629-I633 PolarHBondContact O-N 2.96Å; I633-Y635 VanDerWaalsContact C-N 3.28Å; I633-Y635 PolarHBondContact O-N 3.02Å; I633-L636 PolarHBondContact O-N 3.44Å; I633-L636 VanDerWaalsContact O-N 3.14Å; I633-Q637 WeakPolarHBondContact O-CG 3.4Å; I633-Q637 PolarHBondContact O-N 3.38Å; I633-A645 HydrophobicContact CG2-CB 4.38Å; I633-F648 HydrophobicContact CG1-CB 4.4Å; I633-V649 HydrophobicContact CD1-CG2 3.76Å; I633-V649 HydrophobicContact CG1-CG2 4.23Å; I633-V649 HydrophobicContact CG2-CG2 4.42Å |
| 634 | G | 78.8 | Confident | 75.1 | Confident | 34 Ų | 34 | 66 Ų | 66 | 35% | 0.351 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -64.4 | -28.8 | 177.5 | 0 | 0 | 0 | 0 | 0 | 114 | Q630 K638 | Q630-G634 PolarHBondContact O-N 2.93Å; G634-K638 WeakPolarHBondContact O-CB 3.49Å; G634-K638 PolarHBondContact O-N 2.7Å; G634-K638 VanDerWaalsContact O-N 3.08Å |
| 635 | Y | 82 | Confident | 75.1 | Confident | 27 Ų | 27 | 59.3 Ų | 59.3 | 11% | 0.106 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -70.4 | -43.4 | 171.5 | 178.2 | -91.7 | 0 | 0 | 0 | 111.8 | D564 K607 S631 I632 I633 K638 K639 | D564-Y635 PolarHBondContact OD2-OH 3.34Å; K607-Y635 HydrophobicContact CB-CE1 4.35Å; K607-Y635 HydrophobicContact CD-CD2 4.25Å; K607-Y635 HydrophobicContact CD-CE1 4.23Å; K607-Y635 HydrophobicContact CD-CE2 3.87Å; K607-Y635 HydrophobicContact CG-CD1 4.18Å; K607-Y635 HydrophobicContact CG-CE1 3.68Å; K607-Y635 HydrophobicContact CG-CE2 4.22Å; S631-Y635 VanDerWaalsContact O-CB 3.24Å; S631-Y635 WeakPolarHBondContact O-CB 3.39Å; S631-Y635 PolarHBondContact O-N 3.49Å; S631-Y635 VanDerWaalsContact O-N 3.11Å; I632-Y635 PolarHBondContact O-N 3.47Å; I633-Y635 VanDerWaalsContact C-N 3.28Å; I633-Y635 PolarHBondContact O-N 3.02Å; Y635-K638 PolarHBondContact O-N 3.05Å; Y635-K639 HydrophobicContact CD1-CG 4.25Å; Y635-K639 HydrophobicContact CD2-CG 4.42Å; Y635-K639 HydrophobicContact CE1-CG 3.91Å; Y635-K639 HydrophobicContact CE2-CD 4.4Å; Y635-K639 HydrophobicContact CE2-CG 4.11Å; Y635-K639 HydrophobicContact CG-CG 4.49Å; Y635-K639 VanDerWaalsContact CZ-CE 3.46Å; Y635-K639 WeakPolarHBondContact O-CB 3.44Å; Y635-K639 VanDerWaalsContact O-CG 3.26Å; Y635-K639 WeakPolarHBondContact O-CG 3.45Å; Y635-K639 PolarHBondContact O-N 3.1Å; Y635-K639 WeakPolarHBondContact OH-CE 2.96Å |
| 636 | L | 83 | Confident | 75.4 | Confident | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -64.1 | -47.5 | 177.4 | -73.4 | 171.3 | 0 | 0 | 0 | 111.6 | F606 L610 I632 I633 K638 K639 G640 Y641 I644 A645 F648 | F606-L636 HydrophobicContact CE1-CD1 4.36Å; F606-L636 HydrophobicContact CE1-CD2 3.98Å; F606-L636 HydrophobicContact CE1-CG 4.29Å; F606-L636 HydrophobicContact CZ-CD1 4.2Å; F606-L636 HydrophobicContact CZ-CD2 4.03Å; F606-L636 HydrophobicContact CZ-CG 4.49Å; L610-L636 HydrophobicContact CD1-CD2 3.6Å; L610-L636 HydrophobicContact CD2-CD2 4.29Å; I632-L636 HydrophobicContact CG2-CD1 4.14Å; I632-L636 HydrophobicContact CG2-CG 4.45Å; I632-L636 WeakPolarHBondContact O-CB 3.34Å; I632-L636 WeakPolarHBondContact O-CG 3.48Å; I632-L636 PolarHBondContact O-N 3.34Å; I633-L636 PolarHBondContact O-N 3.44Å; I633-L636 VanDerWaalsContact O-N 3.14Å; L636-K638 PolarHBondContact O-N 2.84Å; L636-K639 CarbonylContact O-C 3.57Å; L636-K639 PolarHBondContact O-N 3.16Å; L636-G640 PolarHBondContact O-N 3.25Å; L636-Y641 PolarHBondContact O-N 2.83Å; L636-I644 HydrophobicContact CD1-CB 4.26Å; L636-I644 HydrophobicContact CD1-CG2 4.09Å; L636-I644 HydrophobicContact CD2-CB 4.38Å; L636-I644 HydrophobicContact CD2-CD1 4.49Å; L636-I644 HydrophobicContact CD2-CG2 4.43Å; L636-A645 HydrophobicContact CB-CB 4.17Å; L636-A645 HydrophobicContact CD1-CB 4.15Å; L636-F648 HydrophobicContact CD1-CD2 4.17Å; L636-F648 HydrophobicContact CD1-CE2 4.1Å |
| 637 | Q | 78.6 | Confident | 75.7 | Confident | 75 Ų | 75 | 57.9 Ų | 57.9 | 35% | 0.35 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -55.5 | -51 | 172.7 | -72.5 | 179 | -58.9 | 0 | 0 | 110.9 | I633 K639 G640 L658 E661 | I633-Q637 WeakPolarHBondContact O-CG 3.4Å; I633-Q637 PolarHBondContact O-N 3.38Å; Q637-K639 VanDerWaalsContact C-N 3.26Å; Q637-K639 PolarHBondContact O-N 3.25Å; Q637-G640 PolarHBondContact O-N 3.13Å; Q637-L658 HydrophobicContact CG-CD2 3.9Å; Q637-E661 PolarHBondContact NE2-OE2 3.41Å |
| 638 | K | 82.8 | Confident | 75.8 | Confident | 186 Ų | 186 | 59.4 Ų | 59.4 | 81% | 0.809 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -64.1 | -26 | -179.9 | -174.8 | 171.7 | -178.7 | 177.7 | 0 | 114.2 | G634 Y635 L636 | G634-K638 WeakPolarHBondContact O-CB 3.49Å; G634-K638 PolarHBondContact O-N 2.7Å; G634-K638 VanDerWaalsContact O-N 3.08Å; Y635-K638 PolarHBondContact O-N 3.05Å; L636-K638 PolarHBondContact O-N 2.84Å |
| 639 | K | 81.5 | Confident | 76.4 | Confident | 86 Ų | 86 | 53.8 Ų | 53.8 | 37% | 0.374 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -92.3 | -1.2 | 176 | -64.5 | -74.2 | -174.8 | 169.4 | 0 | 113.2 | D564 Y635 L636 Q637 Y641 | D564-K639 IonicContact OD1-NZ 4Å; D564-K639 PolarHBondContact OD1-NZ 3.3Å; D564-K639 IonicContact OD2-NZ 3.75Å; D564-K639 PolarHBondContact OD2-NZ 3.45Å; Y635-K639 HydrophobicContact CD1-CG 4.25Å; Y635-K639 HydrophobicContact CD2-CG 4.42Å; Y635-K639 HydrophobicContact CE1-CG 3.91Å; Y635-K639 HydrophobicContact CE2-CD 4.4Å; Y635-K639 HydrophobicContact CE2-CG 4.11Å; Y635-K639 HydrophobicContact CG-CG 4.49Å; Y635-K639 VanDerWaalsContact CZ-CE 3.46Å; Y635-K639 WeakPolarHBondContact O-CB 3.44Å; Y635-K639 VanDerWaalsContact O-CG 3.26Å; Y635-K639 WeakPolarHBondContact O-CG 3.45Å; Y635-K639 PolarHBondContact O-N 3.1Å; Y635-K639 WeakPolarHBondContact OH-CE 2.96Å; L636-K639 CarbonylContact O-C 3.57Å; L636-K639 PolarHBondContact O-N 3.16Å; Q637-K639 VanDerWaalsContact C-N 3.26Å; Q637-K639 PolarHBondContact O-N 3.25Å; K639-Y641 HydrophobicContact CB-CD2 3.89Å; K639-Y641 HydrophobicContact CB-CE2 4.09Å; K639-Y641 WeakPolarHBondContact O-CD2 3.24Å; K639-Y641 VanDerWaalsContact O-CE2 3.29Å; K639-Y641 WeakPolarHBondContact O-CE2 3.46Å |
| 640 | G | 74.9 | Confident | 77 | Confident | 56 Ų | 56 | 62.2 Ų | 62.2 | 58% | 0.577 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 85.2 | 28.6 | 176.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | L636 Q637 P642 | L636-G640 PolarHBondContact O-N 3.25Å; Q637-G640 PolarHBondContact O-N 3.13Å; G640-P642 WeakPolarHBondContact O-CD 3.35Å |
| 641 | Y | 76.9 | Confident | 77.6 | Confident | 80 Ų | 80 | 59.7 Ų | 59.7 | 31% | 0.314 | 31% | 0.306 | S | S | . | . | trans | -121.7 | 57.4 | 179 | -58.4 | -84 | 0 | 0 | 0 | 112.9 | L610 L636 K639 E643 I644 A645 | L610-Y641 HydrophobicContact CD2-CD2 3.51Å; L610-Y641 HydrophobicContact CD2-CE2 3.51Å; L610-Y641 HydrophobicContact CD2-CG 4.19Å; L636-Y641 PolarHBondContact O-N 2.83Å; K639-Y641 HydrophobicContact CB-CD2 3.89Å; K639-Y641 HydrophobicContact CB-CE2 4.09Å; K639-Y641 WeakPolarHBondContact O-CD2 3.24Å; K639-Y641 VanDerWaalsContact O-CE2 3.29Å; K639-Y641 WeakPolarHBondContact O-CE2 3.46Å; Y641-E643 VanDerWaalsContact C-N 3.28Å; Y641-E643 PolarHBondContact O-N 3.27Å; Y641-I644 HydrophobicContact CD1-CD1 4.15Å; Y641-I644 HydrophobicContact CG-CD1 4.24Å; Y641-I644 PolarHBondContact O-N 3.14Å; Y641-A645 PolarHBondContact O-N 3.45Å | ||
| 642 | P | 74.1 | Confident | 78.2 | Confident | 24 Ų | 24 | 59.2 Ų | 59.2 | 16% | 0.156 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -66.3 | -28.1 | -177.9 | 29.9 | -36 | 0 | 0 | 0 | 113 | G640 I644 A645 L646 L658 C662 | G640-P642 WeakPolarHBondContact O-CD 3.35Å; P642-I644 VanDerWaalsContact C-N 3.34Å; P642-I644 PolarHBondContact O-N 3.04Å; P642-A645 CarbonylContact O-C 3.54Å; P642-A645 WeakPolarHBondContact O-CA 3.44Å; P642-A645 VanDerWaalsContact O-CB 3.3Å; P642-A645 WeakPolarHBondContact O-CB 3.47Å; P642-A645 PolarHBondContact O-N 2.91Å; P642-L646 PolarHBondContact O-N 3.31Å; P642-L658 HydrophobicContact CB-CD2 3.91Å; P642-C662 VanDerWaalsContact C-SG 3.53Å |
| 643 | E | 74.2 | Confident | 78.5 | Confident | 71 Ų | 71 | 65.6 Ų | 65.6 | 33% | 0.332 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -56.8 | -45.8 | 175.9 | -61.9 | 166.2 | -164.2 | 0 | 0 | 112.1 | Y641 A645 L646 H647 C662 G823 | Y641-E643 VanDerWaalsContact C-N 3.28Å; Y641-E643 PolarHBondContact O-N 3.27Å; E643-A645 VanDerWaalsContact C-N 3.26Å; E643-A645 PolarHBondContact O-N 2.99Å; E643-L646 WeakPolarHBondContact O-CB 3.44Å; E643-L646 PolarHBondContact O-N 2.8Å; E643-H647 PolarHBondContact O-CD2 3.39Å; E643-C662 HydrophobicContact CG-CB 4.48Å; E643-C662 PolarHBondContact N-SG 2.85Å; E643-C662 VanDerWaalsContact N-SG 3.41Å; E643-G823 VanDerWaalsContact OE1-CA 3.32Å; E643-G823 WeakPolarHBondContact OE1-CA 3.43Å; E643-G823 WeakPolarHBondContact OE2-CA 3.38Å |
| 644 | I | 78 | Confident | 78.9 | Confident | 9 Ų | 9 | 67.1 Ų | 67.1 | 5% | 0.046 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -65.5 | -35.2 | 176.6 | -49.5 | 179.8 | 0 | 0 | 0 | 109.7 | V618 V622 L636 Y641 P642 F648 F825 | V618-I644 HydrophobicContact CG1-CD1 4.31Å; V622-I644 HydrophobicContact CG2-CG2 3.93Å; L636-I644 HydrophobicContact CD1-CB 4.26Å; L636-I644 HydrophobicContact CD1-CG2 4.09Å; L636-I644 HydrophobicContact CD2-CB 4.38Å; L636-I644 HydrophobicContact CD2-CD1 4.49Å; L636-I644 HydrophobicContact CD2-CG2 4.43Å; Y641-I644 HydrophobicContact CD1-CD1 4.15Å; Y641-I644 HydrophobicContact CG-CD1 4.24Å; Y641-I644 PolarHBondContact O-N 3.14Å; P642-I644 VanDerWaalsContact C-N 3.34Å; P642-I644 PolarHBondContact O-N 3.04Å; I644-F648 HydrophobicContact CG2-CE2 4.12Å; I644-F648 VanDerWaalsContact O-CD2 3.27Å; I644-F648 WeakPolarHBondContact O-CD2 3.27Å; I644-F825 HydrophobicContact CD1-CD2 4.22Å; I644-F825 HydrophobicContact CD1-CE2 3.53Å; I644-F825 HydrophobicContact CD1-CZ 3.79Å; I644-F825 HydrophobicContact CG1-CD2 3.98Å; I644-F825 HydrophobicContact CG1-CE2 3.82Å; I644-F825 HydrophobicContact CG1-CZ 4.39Å |
| 645 | A | 76.5 | Confident | 79.3 | Confident | 0 Ų | 0 | 68.8 Ų | 68.8 | 0% | 0 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -68.1 | -33.3 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | I633 L636 Y641 P642 E643 H647 F648 V649 L658 | I633-A645 HydrophobicContact CG2-CB 4.38Å; L636-A645 HydrophobicContact CB-CB 4.17Å; L636-A645 HydrophobicContact CD1-CB 4.15Å; Y641-A645 PolarHBondContact O-N 3.45Å; P642-A645 CarbonylContact O-C 3.54Å; P642-A645 WeakPolarHBondContact O-CA 3.44Å; P642-A645 VanDerWaalsContact O-CB 3.3Å; P642-A645 WeakPolarHBondContact O-CB 3.47Å; P642-A645 PolarHBondContact O-N 2.91Å; E643-A645 VanDerWaalsContact C-N 3.26Å; E643-A645 PolarHBondContact O-N 2.99Å; A645-H647 PolarHBondContact O-N 3.14Å; A645-F648 PolarHBondContact O-N 2.9Å; A645-V649 PolarHBondContact O-N 3.24Å; A645-L658 HydrophobicContact CB-CD1 4.04Å; A645-L658 HydrophobicContact CB-CD2 4.17Å |
| 646 | L | 77.5 | Confident | 79.7 | Confident | 18 Ų | 18 | 68.1 Ų | 68.1 | 9% | 0.094 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -59.3 | -29.4 | 179.3 | -169.6 | 68.4 | 0 | 0 | 0 | 112.8 | P642 E643 R655 L658 A659 | P642-L646 PolarHBondContact O-N 3.31Å; E643-L646 WeakPolarHBondContact O-CB 3.44Å; E643-L646 PolarHBondContact O-N 2.8Å; L646-R655 HydrophobicContact CD1-CG 3.88Å; L646-R655 PolarHBondContact O-NH1 3.03Å; L646-L658 HydrophobicContact CD1-CB 3.82Å; L646-A659 HydrophobicContact CD1-CB 4.22Å |
| 647 | H | 75.7 | Confident | 79.9 | Confident | 144 Ų | 144 | 69.5 Ų | 69.5 | 67% | 0.667 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.6 | -22.2 | 174.2 | -69.3 | -73 | 0 | 0 | 0 | 114.3 | V622 E643 A645 | V622-H647 HydrophobicContact CG1-CB 4.37Å; E643-H647 PolarHBondContact O-CD2 3.39Å; A645-H647 PolarHBondContact O-N 3.14Å |
| 648 | F | 69.5 | Low | 80.2 | Confident | 45 Ų | 45 | 66 Ų | 66 | 20% | 0.197 | 33% | 0.325 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -91.9 | -17.8 | -179.3 | -69.2 | -67.4 | 0 | 0 | 0 | 113.9 | F606 V622 L627 I633 L636 I644 A645 | F606-F648 HydrophobicContact CZ-CE2 4.46Å; V622-F648 HydrophobicContact CB-CZ 3.96Å; V622-F648 HydrophobicContact CG1-CE1 4.23Å; V622-F648 HydrophobicContact CG1-CE2 4.28Å; V622-F648 HydrophobicContact CG1-CZ 3.83Å; V622-F648 HydrophobicContact CG2-CE2 3.94Å; V622-F648 HydrophobicContact CG2-CZ 3.6Å; L627-F648 HydrophobicContact CB-CD1 4.47Å; L627-F648 HydrophobicContact CB-CE1 3.72Å; L627-F648 HydrophobicContact CB-CZ 4.03Å; L627-F648 HydrophobicContact CD1-CE1 3.94Å; L627-F648 HydrophobicContact CD1-CZ 3.55Å; L627-F648 HydrophobicContact CG-CE1 4.46Å; L627-F648 HydrophobicContact CG-CZ 4.44Å; I633-F648 HydrophobicContact CG1-CB 4.4Å; L636-F648 HydrophobicContact CD1-CD2 4.17Å; L636-F648 HydrophobicContact CD1-CE2 4.1Å; I644-F648 HydrophobicContact CG2-CE2 4.12Å; I644-F648 VanDerWaalsContact O-CD2 3.27Å; I644-F648 WeakPolarHBondContact O-CD2 3.27Å; A645-F648 PolarHBondContact O-N 2.9Å |
| 649 | V | 74.4 | Confident | 80.4 | Confident | 13 Ų | 13 | 57.1 Ų | 57.1 | 8% | 0.079 | 29% | 0.286 | C | S | . | . | trans | -90.7 | 120.7 | -171 | 174 | 0 | 0 | 0 | 0 | 112 | I633 A645 D651 T654 R655 L658 | I633-V649 HydrophobicContact CD1-CG2 3.76Å; I633-V649 HydrophobicContact CG1-CG2 4.23Å; I633-V649 HydrophobicContact CG2-CG2 4.42Å; A645-V649 PolarHBondContact O-N 3.24Å; V649-D651 HydrophobicContact CG1-CB 4.45Å; V649-D651 WeakPolarHBondContact CG1-O 3.4Å; V649-T654 HydrophobicContact CG1-CG2 3.78Å; V649-T654 HydrophobicContact CG2-CG2 4.04Å; V649-R655 HydrophobicContact CG1-CB 4.04Å; V649-L658 HydrophobicContact CB-CD1 4.15Å; V649-L658 HydrophobicContact CG2-CD1 3.52Å | ||
| 650 | K | 77.5 | Confident | 80.7 | Confident | 202 Ų | 202 | 54.9 Ų | 54.9 | 88% | 0.878 | 28% | 0.278 | S | S | * | . | trans | -99.1 | -12.9 | 174.3 | -61.5 | -171.7 | 177.1 | -171.3 | 0 | 114.4 | ||||
| 651 | D | 82.9 | Confident | 81 | Confident | 84 Ų | 84 | 57.9 Ų | 57.9 | 45% | 0.449 | 28% | 0.277 | S | S | . | . | trans | -84.6 | 117.3 | 177.4 | 167.2 | 57 | 0 | 0 | 0 | 109.4 | V649 K653 T654 R655 | V649-D651 HydrophobicContact CG1-CB 4.45Å; V649-D651 WeakPolarHBondContact CG1-O 3.4Å; D651-K653 PolarHBondContact O-N 3.08Å; D651-T654 PolarHBondContact O-N 3.4Å; D651-T654 VanDerWaalsContact OD2-CB 3.24Å; D651-T654 WeakPolarHBondContact OD2-CB 3.49Å; D651-T654 PolarHBondContact OD2-N 3.05Å; D651-T654 PolarHBondContact OD2-OG1 3.22Å; D651-R655 VanDerWaalsContact O-CB 3.3Å; D651-R655 WeakPolarHBondContact O-CB 3.12Å; D651-R655 PolarHBondContact O-N 3.06Å | ||
| 652 | E | 86 | Confident | 81 | Confident | 66 Ų | 66 | 55.1 Ų | 55.1 | 31% | 0.308 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -60.1 | -30 | -174.7 | -74.5 | -57.2 | 139.8 | 0 | 0 | 113.3 | R655 F656 S671 V674 L675 | E652-R655 PolarHBondContact O-N 2.96Å; E652-F656 VanDerWaalsContact O-CB 3.26Å; E652-F656 WeakPolarHBondContact O-CB 3.15Å; E652-F656 PolarHBondContact O-N 3.47Å; E652-S671 VanDerWaalsContact OE2-CB 3.31Å; E652-S671 WeakPolarHBondContact OE2-CB 3.41Å; E652-S671 PolarHBondContact OE2-OG 2.89Å; E652-V674 HydrophobicContact CG-CG1 4.38Å; E652-L675 HydrophobicContact CB-CD2 4.31Å |
| 653 | K | 87.2 | Confident | 81.2 | Confident | 143 Ų | 143 | 56.7 Ų | 56.7 | 62% | 0.622 | 28% | 0.281 | S | S | * | . | H | α-helix | trans | -71.4 | -45 | 177.5 | -172 | 167.9 | -174.2 | 162.1 | 0 | 112.2 | D651 R655 G657 | D651-K653 PolarHBondContact O-N 3.08Å; K653-R655 VanDerWaalsContact C-N 3.31Å; K653-G657 PolarHBondContact O-N 2.81Å; K653-G657 VanDerWaalsContact O-N 3.11Å |
| 654 | T | 84.7 | Confident | 81.7 | Confident | 46 Ų | 46 | 55.2 Ų | 55.2 | 28% | 0.282 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -67.4 | -34.7 | 173.4 | -53.3 | 0 | 0 | 0 | 0 | 110.9 | V649 D651 G657 L658 | V649-T654 HydrophobicContact CG1-CG2 3.78Å; V649-T654 HydrophobicContact CG2-CG2 4.04Å; D651-T654 PolarHBondContact O-N 3.4Å; D651-T654 VanDerWaalsContact OD2-CB 3.24Å; D651-T654 WeakPolarHBondContact OD2-CB 3.49Å; D651-T654 PolarHBondContact OD2-N 3.05Å; D651-T654 PolarHBondContact OD2-OG1 3.22Å; T654-G657 PolarHBondContact O-N 2.93Å; T654-L658 HydrophobicContact CG2-CD1 4.38Å; T654-L658 WeakPolarHBondContact O-CB 3.38Å; T654-L658 WeakPolarHBondContact O-CG 3.49Å; T654-L658 PolarHBondContact O-N 2.8Å |
| 655 | R | 87.4 | Confident | 82.2 | Confident | 69 Ų | 69 | 55.1 Ų | 55.1 | 26% | 0.26 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -65.3 | -45.9 | 175.7 | -174.8 | 177.1 | 174.6 | 76.1 | 2.4 | 111.5 | L646 V649 D651 E652 K653 L658 A659 V667 | L646-R655 HydrophobicContact CD1-CG 3.88Å; L646-R655 PolarHBondContact O-NH1 3.03Å; V649-R655 HydrophobicContact CG1-CB 4.04Å; D651-R655 VanDerWaalsContact O-CB 3.3Å; D651-R655 WeakPolarHBondContact O-CB 3.12Å; D651-R655 PolarHBondContact O-N 3.06Å; E652-R655 PolarHBondContact O-N 2.96Å; K653-R655 VanDerWaalsContact C-N 3.31Å; R655-L658 PolarHBondContact O-N 3.19Å; R655-A659 VanDerWaalsContact O-CB 3.23Å; R655-A659 WeakPolarHBondContact O-CB 3.37Å; R655-A659 PolarHBondContact O-N 3.1Å; R655-V667 HydrophobicContact CG-CG1 4.22Å |
| 656 | F | 90.4 | Very high | 82.8 | Confident | 13 Ų | 13 | 60.1 Ų | 60.1 | 6% | 0.057 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -57.4 | -48.2 | 173.2 | 177 | -103.5 | 0 | 0 | 0 | 111.6 | E652 A659 L660 A668 A672 L675 C680 A683 L684 | E652-F656 VanDerWaalsContact O-CB 3.26Å; E652-F656 WeakPolarHBondContact O-CB 3.15Å; E652-F656 PolarHBondContact O-N 3.47Å; F656-A659 PolarHBondContact O-N 2.98Å; F656-L660 HydrophobicContact CD1-CD1 4.13Å; F656-L660 HydrophobicContact CE1-CD1 3.46Å; F656-L660 VanDerWaalsContact CE1-CD1 3.46Å; F656-L660 HydrophobicContact CE1-CG 4.27Å; F656-L660 HydrophobicContact CE2-CD1 4.22Å; F656-L660 HydrophobicContact CE2-CD2 4.45Å; F656-L660 HydrophobicContact CE2-CG 4.28Å; F656-L660 HydrophobicContact CZ-CD1 3.51Å; F656-L660 HydrophobicContact CZ-CD2 4.37Å; F656-L660 HydrophobicContact CZ-CG 4.06Å; F656-L660 WeakPolarHBondContact O-CG 3.3Å; F656-L660 PolarHBondContact O-N 3.42Å; F656-A668 HydrophobicContact CD2-CB 4.1Å; F656-A668 VanDerWaalsContact CD2-O 3.29Å; F656-A668 WeakPolarHBondContact CD2-O 3.5Å; F656-A668 HydrophobicContact CE2-CB 4.1Å; F656-A668 WeakPolarHBondContact CE2-O 3.5Å; F656-A672 HydrophobicContact CD2-CB 4.38Å; F656-A672 HydrophobicContact CE2-CB 3.96Å; F656-L675 HydrophobicContact CB-CD1 4.01Å; F656-L675 HydrophobicContact CG-CD1 4.27Å; F656-C680 HydrophobicContact CD1-CB 4.49Å; F656-C680 HydrophobicContact CE1-CB 3.89Å; F656-C680 HydrophobicContact CE2-CB 4.27Å; F656-C680 HydrophobicContact CZ-CB 3.77Å; F656-C680 VanDerWaalsContact CZ-O 3.3Å; F656-C680 WeakPolarHBondContact CZ-O 3.41Å; F656-A683 HydrophobicContact CE1-CB 4.31Å; F656-A683 HydrophobicContact CZ-CB 4.24Å; F656-L684 HydrophobicContact CE2-CB 4.33Å; F656-L684 HydrophobicContact CZ-CB 4.37Å |
| 657 | G | 87.3 | Confident | 83.2 | Confident | 30 Ų | 30 | 60.5 Ų | 60.5 | 31% | 0.309 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -58.9 | -49.2 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113 | K653 T654 A659 L660 E661 | K653-G657 PolarHBondContact O-N 2.81Å; K653-G657 VanDerWaalsContact O-N 3.11Å; T654-G657 PolarHBondContact O-N 2.93Å; G657-A659 VanDerWaalsContact C-N 3.35Å; G657-A659 PolarHBondContact O-N 2.7Å; G657-L660 PolarHBondContact O-N 2.87Å; G657-E661 PolarHBondContact O-N 3.25Å |
| 658 | L | 84.6 | Confident | 84 | Confident | 1 Ų | 1 | 53.7 Ų | 53.7 | 1% | 0.005 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -63.5 | -37.6 | 175.3 | -76.2 | 171.4 | 0 | 0 | 0 | 112.7 | Q637 P642 A645 L646 V649 T654 R655 E661 C662 | Q637-L658 HydrophobicContact CG-CD2 3.9Å; P642-L658 HydrophobicContact CB-CD2 3.91Å; A645-L658 HydrophobicContact CB-CD1 4.04Å; A645-L658 HydrophobicContact CB-CD2 4.17Å; L646-L658 HydrophobicContact CD1-CB 3.82Å; V649-L658 HydrophobicContact CB-CD1 4.15Å; V649-L658 HydrophobicContact CG2-CD1 3.52Å; T654-L658 HydrophobicContact CG2-CD1 4.38Å; T654-L658 WeakPolarHBondContact O-CB 3.38Å; T654-L658 WeakPolarHBondContact O-CG 3.49Å; T654-L658 PolarHBondContact O-N 2.8Å; R655-L658 PolarHBondContact O-N 3.19Å; L658-E661 PolarHBondContact O-N 2.8Å; L658-C662 WeakPolarHBondContact O-CB 3.47Å; L658-C662 PolarHBondContact O-N 3.05Å; L658-C662 PolarHBondContact O-SG 3.45Å |
| 659 | A | 87.5 | Confident | 85 | Confident | 0 Ų | 0 | 53.4 Ų | 53.4 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -66.1 | -39 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | L646 R655 F656 G657 C662 S663 N664 V667 A668 | L646-A659 HydrophobicContact CD1-CB 4.22Å; R655-A659 VanDerWaalsContact O-CB 3.23Å; R655-A659 WeakPolarHBondContact O-CB 3.37Å; R655-A659 PolarHBondContact O-N 3.1Å; F656-A659 PolarHBondContact O-N 2.98Å; G657-A659 VanDerWaalsContact C-N 3.35Å; G657-A659 PolarHBondContact O-N 2.7Å; A659-C662 PolarHBondContact O-N 3.11Å; A659-S663 PolarHBondContact O-N 3.08Å; A659-S663 VanDerWaalsContact O-N 3.15Å; A659-N664 PolarHBondContact O-N 3.46Å; A659-V667 HydrophobicContact CB-CB 4.06Å; A659-V667 HydrophobicContact CB-CG1 3.93Å; A659-A668 HydrophobicContact CB-CB 3.9Å |
| 660 | L | 87 | Confident | 85.8 | Confident | 39 Ų | 39 | 56.7 Ų | 56.7 | 20% | 0.204 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -64.7 | -43.7 | 170.1 | -68.8 | -179 | 0 | 0 | 0 | 112.1 | F656 G657 C662 S663 A668 A683 L684 A687 | F656-L660 HydrophobicContact CD1-CD1 4.13Å; F656-L660 HydrophobicContact CE1-CD1 3.46Å; F656-L660 VanDerWaalsContact CE1-CD1 3.46Å; F656-L660 HydrophobicContact CE1-CG 4.27Å; F656-L660 HydrophobicContact CE2-CD1 4.22Å; F656-L660 HydrophobicContact CE2-CD2 4.45Å; F656-L660 HydrophobicContact CE2-CG 4.28Å; F656-L660 HydrophobicContact CZ-CD1 3.51Å; F656-L660 HydrophobicContact CZ-CD2 4.37Å; F656-L660 HydrophobicContact CZ-CG 4.06Å; F656-L660 WeakPolarHBondContact O-CG 3.3Å; F656-L660 PolarHBondContact O-N 3.42Å; G657-L660 PolarHBondContact O-N 2.87Å; L660-C662 VanDerWaalsContact C-N 3.26Å; L660-C662 PolarHBondContact O-N 2.8Å; L660-S663 PolarHBondContact O-N 2.85Å; L660-A668 HydrophobicContact CD2-CB 3.86Å; L660-A668 HydrophobicContact CG-CB 4.27Å; L660-A683 HydrophobicContact CD1-CB 3.97Å; L660-L684 HydrophobicContact CD2-CD1 4.18Å; L660-A687 HydrophobicContact CD2-CB 3.73Å |
| 661 | E | 82.4 | Confident | 86.4 | Confident | 118 Ų | 118 | 47.1 Ų | 47.1 | 55% | 0.551 | 25% | 0.247 | S | C | * | . | H | α-helix | trans | -60.7 | -34 | 174.8 | -74.7 | -179.8 | 174.5 | 0 | 0 | 112.6 | Q637 G657 L658 S663 | Q637-E661 PolarHBondContact NE2-OE2 3.41Å; G657-E661 PolarHBondContact O-N 3.25Å; L658-E661 PolarHBondContact O-N 2.8Å; E661-S663 VanDerWaalsContact C-N 3.32Å |
| 662 | C | 76 | Confident | 86.8 | Confident | 23 Ų | 23 | 43.1 Ų | 43.1 | 16% | 0.155 | 23% | 0.226 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.7 | -1.2 | 176.1 | -60.4 | 0 | 0 | 0 | 0 | 113.8 | P642 E643 L658 A659 L660 N664 | P642-C662 VanDerWaalsContact C-SG 3.53Å; E643-C662 HydrophobicContact CG-CB 4.48Å; E643-C662 PolarHBondContact N-SG 2.85Å; E643-C662 VanDerWaalsContact N-SG 3.41Å; L658-C662 WeakPolarHBondContact O-CB 3.47Å; L658-C662 PolarHBondContact O-N 3.05Å; L658-C662 PolarHBondContact O-SG 3.45Å; A659-C662 PolarHBondContact O-N 3.11Å; L660-C662 VanDerWaalsContact C-N 3.26Å; L660-C662 PolarHBondContact O-N 2.8Å; C662-N664 HydrophobicContact CB-CB 4.43Å; C662-N664 PolarHBondContact O-N 3.36Å; C662-N664 VanDerWaalsContact O-N 3.13Å |
| 663 | S | 79.3 | Confident | 87.1 | Confident | 57 Ų | 57 | 44.9 Ų | 44.9 | 40% | 0.399 | 23% | 0.233 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 52.4 | 27 | -169.2 | -57.1 | 0 | 0 | 0 | 0 | 114.2 | A659 L660 E661 L665 | A659-S663 PolarHBondContact O-N 3.08Å; A659-S663 VanDerWaalsContact O-N 3.15Å; L660-S663 PolarHBondContact O-N 2.85Å; E661-S663 VanDerWaalsContact C-N 3.32Å; S663-L665 PolarHBondContact O-N 3.43Å; S663-L665 VanDerWaalsContact O-N 3.17Å |
| 664 | N | 84.9 | Confident | 87.3 | Confident | 40 Ų | 40 | 43.3 Ų | 43.3 | 21% | 0.214 | 24% | 0.235 | C | C | . | . | trans | -88.6 | 78.3 | 175.3 | -168.1 | -31.6 | 0 | 0 | 0 | 109.5 | A659 C662 N666 V667 A668 | A659-N664 PolarHBondContact O-N 3.46Å; C662-N664 HydrophobicContact CB-CB 4.43Å; C662-N664 PolarHBondContact O-N 3.36Å; C662-N664 VanDerWaalsContact O-N 3.13Å; N664-N666 PolarHBondContact O-N 3.02Å; N664-V667 PolarHBondContact O-N 2.91Å; N664-V667 PolarHBondContact OD1-N 3.27Å; N664-A668 PolarHBondContact O-N 3.15Å | ||
| 665 | L | 87.4 | Confident | 87.6 | Confident | 7 Ų | 7 | 44.1 Ų | 44.1 | 4% | 0.037 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -61.9 | -26.8 | -175.3 | -61.8 | -179.4 | 0 | 0 | 0 | 113.9 | S663 A668 F669 L684 A687 A688 Q691 N693 M696 | S663-L665 PolarHBondContact O-N 3.43Å; S663-L665 VanDerWaalsContact O-N 3.17Å; L665-A668 PolarHBondContact O-N 3.24Å; L665-F669 WeakPolarHBondContact O-CB 3.44Å; L665-F669 PolarHBondContact O-N 3.5Å; L665-L684 HydrophobicContact CD2-CD1 4.08Å; L665-A687 HydrophobicContact CD2-CB 3.72Å; L665-A688 HydrophobicContact CD1-CB 4.01Å; L665-Q691 HydrophobicContact CD1-CB 3.94Å; L665-Q691 HydrophobicContact CD1-CG 4.39Å; L665-Q691 VanDerWaalsContact CG-OE1 3.3Å; L665-N693 HydrophobicContact CD1-CB 4.26Å; L665-M696 HydrophobicContact CB-CE 4.39Å; L665-M696 HydrophobicContact CB-SD 3.8Å; L665-M696 HydrophobicContact CD1-SD 4.34Å |
| 666 | N | 88.7 | Confident | 87.7 | Confident | 104 Ų | 104 | 45.4 Ų | 45.4 | 56% | 0.556 | 25% | 0.249 | S | C | * | . | H | α-helix | trans | -66.4 | -50.6 | 178.5 | -66.6 | -10.7 | 0 | 0 | 0 | 110.4 | N664 A668 F669 D670 M696 | N664-N666 PolarHBondContact O-N 3.02Å; N666-A668 VanDerWaalsContact C-N 3.31Å; N666-A668 PolarHBondContact O-N 2.59Å; N666-F669 PolarHBondContact O-N 3.45Å; N666-D670 PolarHBondContact O-N 2.87Å; N666-M696 WeakPolarHBondContact OD1-CE 3.39Å |
| 667 | V | 87.5 | Confident | 87.7 | Confident | 27 Ų | 27 | 48.4 Ų | 48.4 | 16% | 0.164 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -63.8 | -39 | 175.4 | 178.5 | 0 | 0 | 0 | 0 | 110.9 | R655 A659 N664 F669 D670 S671 | R655-V667 HydrophobicContact CG-CG1 4.22Å; A659-V667 HydrophobicContact CB-CB 4.06Å; A659-V667 HydrophobicContact CB-CG1 3.93Å; N664-V667 PolarHBondContact O-N 2.91Å; N664-V667 PolarHBondContact OD1-N 3.27Å; V667-F669 VanDerWaalsContact C-N 3.34Å; V667-F669 PolarHBondContact O-N 2.89Å; V667-D670 PolarHBondContact O-N 3.28Å; V667-S671 WeakPolarHBondContact O-CB 3.49Å; V667-S671 PolarHBondContact O-N 2.86Å; V667-S671 PolarHBondContact O-OG 3.47Å |
| 668 | A | 90.7 | Very high | 87.8 | Confident | 0 Ų | 0 | 55.5 Ų | 55.5 | 0% | 0 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -65.9 | -34.6 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | F656 A659 L660 N664 L665 N666 A672 L684 | F656-A668 HydrophobicContact CD2-CB 4.1Å; F656-A668 VanDerWaalsContact CD2-O 3.29Å; F656-A668 WeakPolarHBondContact CD2-O 3.5Å; F656-A668 HydrophobicContact CE2-CB 4.1Å; F656-A668 WeakPolarHBondContact CE2-O 3.5Å; A659-A668 HydrophobicContact CB-CB 3.9Å; L660-A668 HydrophobicContact CD2-CB 3.86Å; L660-A668 HydrophobicContact CG-CB 4.27Å; N664-A668 PolarHBondContact O-N 3.15Å; L665-A668 PolarHBondContact O-N 3.24Å; N666-A668 VanDerWaalsContact C-N 3.31Å; N666-A668 PolarHBondContact O-N 2.59Å; A668-A672 WeakPolarHBondContact O-CB 3.26Å; A668-A672 PolarHBondContact O-N 3.37Å; A668-L684 HydrophobicContact CB-CD1 3.71Å |
| 669 | F | 91.6 | Very high | 88.2 | Confident | 39 Ų | 39 | 58.4 Ų | 58.4 | 17% | 0.171 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -69 | -42.3 | 175.9 | 178.7 | -120 | 0 | 0 | 0 | 111.9 | L665 N666 V667 A672 K673 W681 L684 M696 T699 | L665-F669 WeakPolarHBondContact O-CB 3.44Å; L665-F669 PolarHBondContact O-N 3.5Å; N666-F669 PolarHBondContact O-N 3.45Å; V667-F669 VanDerWaalsContact C-N 3.34Å; V667-F669 PolarHBondContact O-N 2.89Å; F669-A672 PolarHBondContact O-N 3.49Å; F669-K673 VanDerWaalsContact CE1-NZ 3.26Å; F669-K673 WeakPolarHBondContact O-CG 3.26Å; F669-K673 PolarHBondContact O-N 2.89Å; F669-W681 HydrophobicContact CD2-CH2 4.02Å; F669-W681 AromaticContact CD2-CZ3 3.76Å; F669-W681 HydrophobicContact CD2-CZ3 3.76Å; F669-W681 AromaticContact CE2-CH2 3.92Å; F669-W681 HydrophobicContact CE2-CH2 3.92Å; F669-W681 AromaticContact CE2-CZ3 3.8Å; F669-W681 HydrophobicContact CE2-CZ3 3.8Å; F669-L684 HydrophobicContact CB-CD2 4.01Å; F669-L684 HydrophobicContact CD2-CD2 3.85Å; F669-L684 HydrophobicContact CG-CD2 4.44Å; F669-M696 HydrophobicContact CB-CE 4Å; F669-M696 HydrophobicContact CB-SD 4.5Å; F669-M696 HydrophobicContact CD1-CE 4.19Å; F669-M696 HydrophobicContact CG-CE 4.15Å; F669-T699 HydrophobicContact CE2-CG2 4.07Å; F669-T699 HydrophobicContact CZ-CG2 4.32Å |
| 670 | D | 91.4 | Very high | 88.4 | Confident | 82 Ų | 82 | 59 Ų | 59 | 44% | 0.439 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -70.1 | -42.8 | 176.7 | -67.6 | -30.1 | 0 | 0 | 0 | 112 | N666 V667 A672 K673 V674 | N666-D670 PolarHBondContact O-N 2.87Å; V667-D670 PolarHBondContact O-N 3.28Å; D670-A672 VanDerWaalsContact C-N 3.3Å; D670-A672 PolarHBondContact O-N 3.37Å; D670-K673 PolarHBondContact O-N 3.34Å; D670-K673 IonicContact OD1-NZ 2.73Å; D670-K673 PolarHBondContact OD1-NZ 3.17Å; D670-V674 WeakPolarHBondContact O-CG2 3.48Å; D670-V674 PolarHBondContact O-N 3.08Å; D670-V674 VanDerWaalsContact O-N 3.16Å |
| 671 | S | 89.7 | Confident | 88.8 | Confident | 2 Ų | 2 | 57.5 Ų | 57.5 | 1% | 0.014 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -61.8 | -36.2 | 170.3 | -65 | 0 | 0 | 0 | 0 | 111.9 | E652 V667 V674 L675 | E652-S671 VanDerWaalsContact OE2-CB 3.31Å; E652-S671 WeakPolarHBondContact OE2-CB 3.41Å; E652-S671 PolarHBondContact OE2-OG 2.89Å; V667-S671 WeakPolarHBondContact O-CB 3.49Å; V667-S671 PolarHBondContact O-N 2.86Å; V667-S671 PolarHBondContact O-OG 3.47Å; S671-V674 PolarHBondContact O-N 3.09Å; S671-L675 WeakPolarHBondContact O-CB 3.4Å; S671-L675 VanDerWaalsContact O-CG 3.22Å; S671-L675 WeakPolarHBondContact O-CG 3.46Å; S671-L675 PolarHBondContact O-N 3.4Å |
| 672 | A | 91.5 | Very high | 89.3 | Confident | 0 Ų | 0 | 55.1 Ų | 55.1 | 0% | 0 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -67 | -38.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113 | F656 A668 F669 D670 V674 L675 D676 W681 L684 | F656-A672 HydrophobicContact CD2-CB 4.38Å; F656-A672 HydrophobicContact CE2-CB 3.96Å; A668-A672 WeakPolarHBondContact O-CB 3.26Å; A668-A672 PolarHBondContact O-N 3.37Å; F669-A672 PolarHBondContact O-N 3.49Å; D670-A672 VanDerWaalsContact C-N 3.3Å; D670-A672 PolarHBondContact O-N 3.37Å; A672-V674 VanDerWaalsContact C-N 3.29Å; A672-V674 PolarHBondContact O-N 3.04Å; A672-L675 PolarHBondContact O-N 3.11Å; A672-D676 WeakPolarHBondContact O-CA 3.4Å; A672-D676 PolarHBondContact O-N 2.74Å; A672-W681 HydrophobicContact CB-CD2 4.47Å; A672-W681 HydrophobicContact CB-CE3 4.37Å; A672-W681 HydrophobicContact CB-CH2 4.32Å; A672-W681 HydrophobicContact CB-CZ2 4.43Å; A672-W681 HydrophobicContact CB-CZ3 4.3Å; A672-L684 HydrophobicContact CB-CD2 3.94Å |
| 673 | K | 92.3 | Very high | 90 | Very high | 103 Ų | 103 | 55.9 Ų | 55.9 | 45% | 0.448 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -60.4 | -37.9 | 171.9 | -71.6 | 171 | -169.9 | 156.1 | 0 | 112.4 | F669 D670 W681 | F669-K673 VanDerWaalsContact CE1-NZ 3.26Å; F669-K673 WeakPolarHBondContact O-CG 3.26Å; F669-K673 PolarHBondContact O-N 2.89Å; D670-K673 PolarHBondContact O-N 3.34Å; D670-K673 IonicContact OD1-NZ 2.73Å; D670-K673 PolarHBondContact OD1-NZ 3.17Å; K673-W681 HydrophobicContact CG-CH2 4.02Å; K673-W681 HydrophobicContact CG-CZ2 4.31Å |
| 674 | V | 91.2 | Very high | 90.7 | Very high | 109 Ų | 109 | 53.2 Ų | 53.2 | 66% | 0.661 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -75.5 | -34.6 | -179.9 | 174.6 | 0 | 0 | 0 | 0 | 111.8 | E652 D670 S671 A672 | E652-V674 HydrophobicContact CG-CG1 4.38Å; D670-V674 WeakPolarHBondContact O-CG2 3.48Å; D670-V674 PolarHBondContact O-N 3.08Å; D670-V674 VanDerWaalsContact O-N 3.16Å; S671-V674 PolarHBondContact O-N 3.09Å; A672-V674 VanDerWaalsContact C-N 3.29Å; A672-V674 PolarHBondContact O-N 3.04Å |
| 675 | L | 91.1 | Very high | 91 | Very high | 63 Ų | 63 | 51.3 Ų | 51.3 | 33% | 0.33 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -81.1 | -32.6 | 179 | -68.4 | 168.4 | 0 | 0 | 0 | 113.5 | E652 F656 S671 A672 D677 | E652-L675 HydrophobicContact CB-CD2 4.31Å; F656-L675 HydrophobicContact CB-CD1 4.01Å; F656-L675 HydrophobicContact CG-CD1 4.27Å; S671-L675 WeakPolarHBondContact O-CB 3.4Å; S671-L675 VanDerWaalsContact O-CG 3.22Å; S671-L675 WeakPolarHBondContact O-CG 3.46Å; S671-L675 PolarHBondContact O-N 3.4Å; A672-L675 PolarHBondContact O-N 3.11Å; L675-D677 PolarHBondContact O-N 2.9Å |
| 676 | D | 89.3 | Confident | 91.2 | Very high | 96 Ų | 96 | 54.2 Ų | 54.2 | 51% | 0.513 | 29% | 0.291 | S | S | . | . | trans | 41.4 | 34.5 | -175.9 | -151.3 | 30 | 0 | 0 | 0 | 116.3 | A672 W681 | A672-D676 WeakPolarHBondContact O-CA 3.4Å; A672-D676 PolarHBondContact O-N 2.74Å; D676-W681 PolarHBondContact OD1-NE1 3.45Å | ||
| 677 | D | 89.4 | Confident | 91.2 | Very high | 76 Ų | 76 | 50.5 Ų | 50.5 | 41% | 0.406 | 28% | 0.275 | S | S | . | . | trans | -90.3 | 134.3 | 174.9 | -177 | 0.8 | 0 | 0 | 0 | 110.8 | L675 A679 C680 W681 | L675-D677 PolarHBondContact O-N 2.9Å; D677-A679 PolarHBondContact O-N 3.46Å; D677-A679 PolarHBondContact OD1-N 2.73Å; D677-C680 HydrophobicContact CB-CB 4.3Å; D677-C680 WeakPolarHBondContact O-CB 3.35Å; D677-C680 PolarHBondContact O-N 3.11Å; D677-W681 VanDerWaalsContact O-CD1 3.29Å; D677-W681 PolarHBondContact O-N 2.82Å | ||
| 678 | R | 90.9 | Very high | 91.3 | Very high | 180 Ų | 180 | 49.2 Ų | 49.2 | 68% | 0.679 | 27% | 0.267 | S | S | * | . | H | α-helix | trans | -54.2 | -35.4 | 173 | -178.4 | 176.1 | 177.3 | 170.5 | 0.2 | 112.2 | W681 D682 M704 | R678-W681 PolarHBondContact O-N 2.87Å; R678-D682 PolarHBondContact O-N 3.46Å; R678-M704 HydrophobicContact CG-CG 4.3Å; R678-M704 HydrophobicContact CG-SD 4.26Å |
| 679 | A | 92.1 | Very high | 91.2 | Very high | 62 Ų | 62 | 53.8 Ų | 53.8 | 51% | 0.512 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -68.1 | -37.9 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | D677 A683 | D677-A679 PolarHBondContact O-N 3.46Å; D677-A679 PolarHBondContact OD1-N 2.73Å; A679-A683 WeakPolarHBondContact O-CB 3.5Å; A679-A683 PolarHBondContact O-N 2.89Å; A679-A683 VanDerWaalsContact O-N 3.07Å |
| 680 | C | 92 | Very high | 90.9 | Very high | 13 Ų | 13 | 58 Ų | 58 | 9% | 0.088 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -66.9 | -42.3 | 173.1 | -71 | 0 | 0 | 0 | 0 | 111.3 | F656 D677 D682 A683 L684 | F656-C680 HydrophobicContact CD1-CB 4.49Å; F656-C680 HydrophobicContact CE1-CB 3.89Å; F656-C680 HydrophobicContact CE2-CB 4.27Å; F656-C680 HydrophobicContact CZ-CB 3.77Å; F656-C680 VanDerWaalsContact CZ-O 3.3Å; F656-C680 WeakPolarHBondContact CZ-O 3.41Å; D677-C680 HydrophobicContact CB-CB 4.3Å; D677-C680 WeakPolarHBondContact O-CB 3.35Å; D677-C680 PolarHBondContact O-N 3.11Å; C680-D682 PolarHBondContact O-N 3.2Å; C680-A683 PolarHBondContact O-N 3Å; C680-L684 VanDerWaalsContact O-CB 3.27Å; C680-L684 WeakPolarHBondContact O-CB 3.49Å; C680-L684 PolarHBondContact O-N 3.3Å |
| 681 | W | 94.4 | Very high | 90.5 | Very high | 7 Ų | 7 | 55.6 Ų | 55.6 | 3% | 0.027 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -63.9 | -37.4 | 176.4 | -73.6 | 117.1 | 0 | 0 | 0 | 113.5 | F669 A672 K673 D676 D677 R678 L684 A685 A700 R703 M704 | F669-W681 HydrophobicContact CD2-CH2 4.02Å; F669-W681 AromaticContact CD2-CZ3 3.76Å; F669-W681 HydrophobicContact CD2-CZ3 3.76Å; F669-W681 AromaticContact CE2-CH2 3.92Å; F669-W681 HydrophobicContact CE2-CH2 3.92Å; F669-W681 AromaticContact CE2-CZ3 3.8Å; F669-W681 HydrophobicContact CE2-CZ3 3.8Å; A672-W681 HydrophobicContact CB-CD2 4.47Å; A672-W681 HydrophobicContact CB-CE3 4.37Å; A672-W681 HydrophobicContact CB-CH2 4.32Å; A672-W681 HydrophobicContact CB-CZ2 4.43Å; A672-W681 HydrophobicContact CB-CZ3 4.3Å; K673-W681 HydrophobicContact CG-CH2 4.02Å; K673-W681 HydrophobicContact CG-CZ2 4.31Å; D676-W681 PolarHBondContact OD1-NE1 3.45Å; D677-W681 VanDerWaalsContact O-CD1 3.29Å; D677-W681 PolarHBondContact O-N 2.82Å; R678-W681 PolarHBondContact O-N 2.87Å; W681-L684 HydrophobicContact CE3-CD2 4.03Å; W681-L684 HydrophobicContact CZ3-CD2 3.87Å; W681-A685 VanDerWaalsContact O-CB 3.26Å; W681-A685 WeakPolarHBondContact O-CB 3.41Å; W681-A685 PolarHBondContact O-N 3.07Å; W681-A700 HydrophobicContact CE3-CB 3.96Å; W681-R703 HydrophobicContact CD2-CB 4.34Å; W681-R703 HydrophobicContact CG-CB 4.49Å; W681-R703 HydrophobicContact CZ2-CG 4.35Å; W681-M704 HydrophobicContact CB-CG 3.84Å; W681-M704 HydrophobicContact CB-SD 4.07Å |
| 682 | D | 93 | Very high | 90.2 | Very high | 68 Ų | 68 | 56.5 Ų | 56.5 | 36% | 0.364 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -73.7 | -38.3 | 176.9 | -162.9 | 55.3 | 0 | 0 | 0 | 112.5 | R678 C680 A685 T686 M704 K709 | R678-D682 PolarHBondContact O-N 3.46Å; C680-D682 PolarHBondContact O-N 3.2Å; D682-A685 PolarHBondContact O-N 2.76Å; D682-T686 WeakPolarHBondContact O-CB 3.38Å; D682-T686 PolarHBondContact O-N 2.61Å; D682-T686 PolarHBondContact O-OG1 3.33Å; D682-M704 HydrophobicContact CB-CE 4.13Å; D682-M704 HydrophobicContact CB-SD 3.65Å; D682-K709 IonicContact OD1-NZ 2.75Å |
| 683 | A | 92.1 | Very high | 90 | Very high | 39 Ų | 39 | 57.4 Ų | 57.4 | 32% | 0.322 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -63.2 | -44 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | F656 L660 A679 C680 T686 A687 | F656-A683 HydrophobicContact CE1-CB 4.31Å; F656-A683 HydrophobicContact CZ-CB 4.24Å; L660-A683 HydrophobicContact CD1-CB 3.97Å; A679-A683 WeakPolarHBondContact O-CB 3.5Å; A679-A683 PolarHBondContact O-N 2.89Å; A679-A683 VanDerWaalsContact O-N 3.07Å; C680-A683 PolarHBondContact O-N 3Å; A683-T686 PolarHBondContact O-N 2.96Å; A683-A687 PolarHBondContact O-N 2.88Å |
| 684 | L | 93.8 | Very high | 89.8 | Confident | 1 Ų | 1 | 53.6 Ų | 53.6 | 1% | 0.005 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -65.1 | -43.8 | 175 | -177.2 | 66.3 | 0 | 0 | 0 | 111.7 | F656 L660 L665 A668 F669 A672 C680 W681 T686 A687 A688 | F656-L684 HydrophobicContact CE2-CB 4.33Å; F656-L684 HydrophobicContact CZ-CB 4.37Å; L660-L684 HydrophobicContact CD2-CD1 4.18Å; L665-L684 HydrophobicContact CD2-CD1 4.08Å; A668-L684 HydrophobicContact CB-CD1 3.71Å; F669-L684 HydrophobicContact CB-CD2 4.01Å; F669-L684 HydrophobicContact CD2-CD2 3.85Å; F669-L684 HydrophobicContact CG-CD2 4.44Å; A672-L684 HydrophobicContact CB-CD2 3.94Å; C680-L684 VanDerWaalsContact O-CB 3.27Å; C680-L684 WeakPolarHBondContact O-CB 3.49Å; C680-L684 PolarHBondContact O-N 3.3Å; W681-L684 HydrophobicContact CE3-CD2 4.03Å; W681-L684 HydrophobicContact CZ3-CD2 3.87Å; L684-T686 VanDerWaalsContact C-N 3.26Å; L684-T686 PolarHBondContact O-N 3.13Å; L684-A687 PolarHBondContact O-N 2.94Å; L684-A688 WeakPolarHBondContact O-CB 3.45Å; L684-A688 PolarHBondContact O-N 3.44Å |
| 685 | A | 91.5 | Very high | 89.7 | Confident | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -60.9 | -37.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | W681 D682 L689 A700 Y701 M704 | W681-A685 VanDerWaalsContact O-CB 3.26Å; W681-A685 WeakPolarHBondContact O-CB 3.41Å; W681-A685 PolarHBondContact O-N 3.07Å; D682-A685 PolarHBondContact O-N 2.76Å; A685-L689 WeakPolarHBondContact O-CB 3.33Å; A685-L689 PolarHBondContact O-N 2.87Å; A685-A700 HydrophobicContact CB-CB 3.74Å; A685-Y701 HydrophobicContact CB-CD1 4.04Å; A685-Y701 HydrophobicContact CB-CE1 3.56Å; A685-M704 HydrophobicContact CB-CE 4.05Å |
| 686 | T | 91.2 | Very high | 89.7 | Confident | 68 Ų | 68 | 50.4 Ų | 50.4 | 42% | 0.417 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -67.2 | -45 | 176.9 | -56.9 | 0 | 0 | 0 | 0 | 111.3 | D682 A683 L684 L689 L690 | D682-T686 WeakPolarHBondContact O-CB 3.38Å; D682-T686 PolarHBondContact O-N 2.61Å; D682-T686 PolarHBondContact O-OG1 3.33Å; A683-T686 PolarHBondContact O-N 2.96Å; L684-T686 VanDerWaalsContact C-N 3.26Å; L684-T686 PolarHBondContact O-N 3.13Å; T686-L689 PolarHBondContact O-N 2.74Å; T686-L690 HydrophobicContact CG2-CD1 4.36Å; T686-L690 WeakPolarHBondContact O-CB 3.24Å; T686-L690 VanDerWaalsContact O-CG 3.3Å; T686-L690 WeakPolarHBondContact O-CG 3.33Å; T686-L690 PolarHBondContact O-N 2.88Å |
| 687 | A | 88.8 | Confident | 89.8 | Confident | 25 Ų | 25 | 45.8 Ų | 45.8 | 21% | 0.207 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -67 | -40.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | L660 L665 A683 L684 L690 Q691 | L660-A687 HydrophobicContact CD2-CB 3.73Å; L665-A687 HydrophobicContact CD2-CB 3.72Å; A683-A687 PolarHBondContact O-N 2.88Å; L684-A687 PolarHBondContact O-N 2.94Å; A687-L690 PolarHBondContact O-N 2.65Å; A687-Q691 PolarHBondContact O-N 3.31Å |
| 688 | A | 89.7 | Confident | 89.9 | Confident | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -65.7 | -39.9 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | L665 L684 Q691 G692 N693 M696 V697 | L665-A688 HydrophobicContact CD1-CB 4.01Å; L684-A688 WeakPolarHBondContact O-CB 3.45Å; L684-A688 PolarHBondContact O-N 3.44Å; A688-Q691 CarbonylContact O-C 3.59Å; A688-Q691 PolarHBondContact O-N 2.85Å; A688-G692 PolarHBondContact O-N 3.18Å; A688-N693 HydrophobicContact CB-CB 4.39Å; A688-N693 PolarHBondContact O-N 2.94Å; A688-M696 HydrophobicContact CB-CB 3.92Å; A688-V697 HydrophobicContact CB-CG2 3.71Å |
| 689 | L | 88.1 | Confident | 89.9 | Confident | 96 Ų | 96 | 37.2 Ų | 37.2 | 50% | 0.503 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -65.2 | -41.4 | 173.8 | -172.9 | 68.3 | 0 | 0 | 0 | 111.2 | A685 T686 Q691 G692 V697 | A685-L689 WeakPolarHBondContact O-CB 3.33Å; A685-L689 PolarHBondContact O-N 2.87Å; T686-L689 PolarHBondContact O-N 2.74Å; L689-Q691 PolarHBondContact O-N 2.77Å; L689-G692 PolarHBondContact O-N 3.33Å; L689-G692 VanDerWaalsContact O-N 3.1Å; L689-V697 HydrophobicContact CB-CG2 3.82Å; L689-V697 HydrophobicContact CD1-CG2 4.37Å; L689-V697 VanDerWaalsContact N-CG2 3.32Å |
| 690 | L | 85.2 | Confident | 90 | Very high | 129 Ų | 129 | 34.2 Ų | 34.2 | 68% | 0.675 | 20% | 0.195 | S | C | * | . | H | α-helix | trans | -62.8 | -27.6 | 174.1 | -77 | 169.4 | 0 | 0 | 0 | 113.2 | T686 A687 L818 | T686-L690 HydrophobicContact CG2-CD1 4.36Å; T686-L690 WeakPolarHBondContact O-CB 3.24Å; T686-L690 VanDerWaalsContact O-CG 3.3Å; T686-L690 WeakPolarHBondContact O-CG 3.33Å; T686-L690 PolarHBondContact O-N 2.88Å; A687-L690 PolarHBondContact O-N 2.65Å; L690-L818 WeakPolarHBondContact O-CD1 3.42Å |
| 691 | Q | 82.4 | Confident | 90 | Very high | 30 Ų | 30 | 34.4 Ų | 34.4 | 14% | 0.14 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -90.9 | -8.3 | 173.9 | -165 | 173.9 | -17 | 0 | 0 | 113.5 | L665 A687 A688 L689 L818 V820 | L665-Q691 HydrophobicContact CD1-CB 3.94Å; L665-Q691 HydrophobicContact CD1-CG 4.39Å; L665-Q691 VanDerWaalsContact CG-OE1 3.3Å; A687-Q691 PolarHBondContact O-N 3.31Å; A688-Q691 CarbonylContact O-C 3.59Å; A688-Q691 PolarHBondContact O-N 2.85Å; L689-Q691 PolarHBondContact O-N 2.77Å; Q691-L818 HydrophobicContact CG-CB 3.97Å; Q691-L818 PolarHBondContact NE2-O 2.9Å; Q691-L818 WeakPolarHBondContact O-CB 3.44Å; Q691-L818 PolarHBondContact O-N 3.22Å; Q691-V820 VanDerWaalsContact CD-CG2 3.46Å; Q691-V820 HydrophobicContact CG-CG2 4.02Å; Q691-V820 VanDerWaalsContact NE2-CG2 3.35Å |
| 692 | G | 83.5 | Confident | 89.9 | Confident | 22 Ų | 22 | 38.6 Ų | 38.6 | 23% | 0.227 | 21% | 0.214 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 77.5 | 15.8 | -175.5 | 0 | 0 | 0 | 0 | 0 | 115 | A688 L689 H694 | A688-G692 PolarHBondContact O-N 3.18Å; L689-G692 PolarHBondContact O-N 3.33Å; L689-G692 VanDerWaalsContact O-N 3.1Å; G692-H694 VanDerWaalsContact C-N 3.34Å; G692-H694 PolarHBondContact O-N 2.91Å; G692-H694 VanDerWaalsContact O-N 3.07Å |
| 693 | N | 87.3 | Confident | 89.8 | Confident | 19 Ų | 19 | 43 Ų | 43 | 10% | 0.102 | 23% | 0.225 | C | C | . | . | trans | -82.4 | 78.1 | 173.9 | -170 | -31.3 | 0 | 0 | 0 | 110.2 | L665 A688 Q695 M696 V697 N814 L817 | L665-N693 HydrophobicContact CD1-CB 4.26Å; A688-N693 HydrophobicContact CB-CB 4.39Å; A688-N693 PolarHBondContact O-N 2.94Å; N693-Q695 VanDerWaalsContact C-N 3.28Å; N693-Q695 PolarHBondContact O-N 3.35Å; N693-M696 HydrophobicContact CB-CB 4.42Å; N693-M696 PolarHBondContact ND2-SD 3.47Å; N693-M696 VanDerWaalsContact ND2-SD 3.42Å; N693-M696 PolarHBondContact O-N 3.32Å; N693-M696 WeakPolarHBondContact OD1-CB 3.22Å; N693-M696 WeakPolarHBondContact OD1-CG 3.26Å; N693-M696 PolarHBondContact OD1-N 3.14Å; N693-V697 WeakPolarHBondContact O-CG2 3.46Å; N693-V697 PolarHBondContact O-N 3.08Å; N693-N814 PolarHBondContact OD1-ND2 3.47Å; N693-N814 PolarHBondContact OD1-OD1 2.85Å; N693-L817 HydrophobicContact CB-CD1 3.79Å | ||
| 694 | H | 88.5 | Confident | 89.7 | Confident | 23 Ų | 23 | 42.3 Ų | 42.3 | 11% | 0.106 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -66.9 | -25.5 | -175.2 | 71.6 | 75.7 | 0 | 0 | 0 | 113.8 | G692 V697 E698 L713 C811 D813 N814 | G692-H694 VanDerWaalsContact C-N 3.34Å; G692-H694 PolarHBondContact O-N 2.91Å; G692-H694 VanDerWaalsContact O-N 3.07Å; H694-V697 CarbonylContact O-C 3.53Å; H694-V697 WeakPolarHBondContact O-CB 3.24Å; H694-V697 PolarHBondContact O-N 3.08Å; H694-E698 WeakPolarHBondContact O-CB 3.39Å; H694-E698 PolarHBondContact O-N 3.03Å; H694-L713 HydrophobicContact CB-CD1 4.21Å; H694-C811 PolarHBondContact CE1-O 2.78Å; H694-C811 PolarHBondContact NE2-O 2.89Å; H694-D813 PolarHBondContact NE2-O 2.93Å; H694-N814 PolarHBondContact N-OD1 3.12Å |
| 695 | Q | 89.3 | Confident | 89.5 | Confident | 85 Ų | 85 | 49.7 Ų | 49.7 | 40% | 0.397 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -68.8 | -40.7 | 176 | -67.8 | 172.5 | -4.8 | 0 | 0 | 112.5 | N693 V697 E698 T699 K812 N814 | N693-Q695 VanDerWaalsContact C-N 3.28Å; N693-Q695 PolarHBondContact O-N 3.35Å; Q695-V697 VanDerWaalsContact C-N 3.35Å; Q695-E698 PolarHBondContact O-N 2.96Å; Q695-T699 PolarHBondContact O-N 2.66Å; Q695-T699 PolarHBondContact O-OG1 2.85Å; Q695-K812 PolarHBondContact NE2-O 3.17Å; Q695-N814 WeakPolarHBondContact CB-OD1 3.29Å; Q695-N814 VanDerWaalsContact CD-ND2 3.27Å; Q695-N814 WeakPolarHBondContact CG-OD1 3.45Å; Q695-N814 PolarHBondContact N-OD1 3.04Å; Q695-N814 PolarHBondContact OE1-ND2 3.46Å |
| 696 | M | 90.3 | Very high | 89.5 | Confident | 19 Ų | 19 | 51.8 Ų | 51.8 | 9% | 0.094 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -66 | -38.5 | 170.8 | -78.2 | -173 | 172.3 | 0 | 0 | 111.5 | L665 N666 F669 A688 N693 T699 A700 | L665-M696 HydrophobicContact CB-CE 4.39Å; L665-M696 HydrophobicContact CB-SD 3.8Å; L665-M696 HydrophobicContact CD1-SD 4.34Å; N666-M696 WeakPolarHBondContact OD1-CE 3.39Å; F669-M696 HydrophobicContact CB-CE 4Å; F669-M696 HydrophobicContact CB-SD 4.5Å; F669-M696 HydrophobicContact CD1-CE 4.19Å; F669-M696 HydrophobicContact CG-CE 4.15Å; A688-M696 HydrophobicContact CB-CB 3.92Å; N693-M696 HydrophobicContact CB-CB 4.42Å; N693-M696 PolarHBondContact ND2-SD 3.47Å; N693-M696 VanDerWaalsContact ND2-SD 3.42Å; N693-M696 PolarHBondContact O-N 3.32Å; N693-M696 WeakPolarHBondContact OD1-CB 3.22Å; N693-M696 WeakPolarHBondContact OD1-CG 3.26Å; N693-M696 PolarHBondContact OD1-N 3.14Å; M696-T699 PolarHBondContact O-N 3.3Å; M696-A700 WeakPolarHBondContact O-CB 3.49Å; M696-A700 PolarHBondContact O-N 2.99Å |
| 697 | V | 91.7 | Very high | 89.4 | Confident | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -62.8 | -44.2 | 174.1 | 176.4 | 0 | 0 | 0 | 0 | 111.4 | A688 L689 N693 H694 Q695 T699 A700 Y701 L713 | A688-V697 HydrophobicContact CB-CG2 3.71Å; L689-V697 HydrophobicContact CB-CG2 3.82Å; L689-V697 HydrophobicContact CD1-CG2 4.37Å; L689-V697 VanDerWaalsContact N-CG2 3.32Å; N693-V697 WeakPolarHBondContact O-CG2 3.46Å; N693-V697 PolarHBondContact O-N 3.08Å; H694-V697 CarbonylContact O-C 3.53Å; H694-V697 WeakPolarHBondContact O-CB 3.24Å; H694-V697 PolarHBondContact O-N 3.08Å; Q695-V697 VanDerWaalsContact C-N 3.35Å; V697-T699 VanDerWaalsContact C-N 3.34Å; V697-T699 PolarHBondContact O-N 3.2Å; V697-A700 PolarHBondContact O-N 2.95Å; V697-Y701 HydrophobicContact CG1-CD1 4.31Å; V697-Y701 HydrophobicContact CG1-CD2 3.66Å; V697-Y701 HydrophobicContact CG1-CE1 4.01Å; V697-Y701 HydrophobicContact CG1-CE2 3.27Å; V697-Y701 HydrophobicContact CG1-CG 4.16Å; V697-Y701 VanDerWaalsContact CG1-CZ 3.46Å; V697-Y701 WeakPolarHBondContact O-CB 3.44Å; V697-Y701 VanDerWaalsContact O-CG 3.31Å; V697-Y701 PolarHBondContact O-N 2.71Å; V697-L713 HydrophobicContact CG1-CD2 4.31Å |
| 698 | E | 91.8 | Very high | 89.4 | Confident | 27 Ų | 27 | 58.3 Ų | 58.3 | 13% | 0.126 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -57.7 | -49.1 | 176.2 | -170.4 | -173.5 | 157 | 0 | 0 | 110.1 | H694 Q695 A700 Y701 Q702 L710 L713 Y714 K722 | H694-E698 WeakPolarHBondContact O-CB 3.39Å; H694-E698 PolarHBondContact O-N 3.03Å; Q695-E698 PolarHBondContact O-N 2.96Å; E698-A700 PolarHBondContact O-N 3.08Å; E698-Y701 PolarHBondContact O-N 3.2Å; E698-Q702 WeakPolarHBondContact O-CB 3.39Å; E698-Q702 VanDerWaalsContact O-CG 3.27Å; E698-Q702 WeakPolarHBondContact O-CG 3.29Å; E698-Q702 PolarHBondContact O-N 2.9Å; E698-Q702 PolarHBondContact OE1-NE2 2.87Å; E698-L710 HydrophobicContact CG-CD1 3.98Å; E698-L713 HydrophobicContact CB-CD2 3.88Å; E698-L713 HydrophobicContact CG-CD2 4.38Å; E698-Y714 HydrophobicContact CG-CE1 4.1Å; E698-Y714 PolarHBondContact OE1-OH 2.85Å; E698-K722 IonicContact OE1-NZ 3.38Å; E698-K722 PolarHBondContact OE1-NZ 3.24Å; E698-K722 IonicContact OE2-NZ 3.18Å; E698-K722 PolarHBondContact OE2-NZ 3.45Å |
| 699 | T | 92.1 | Very high | 89.5 | Confident | 48 Ų | 48 | 62.2 Ų | 62.2 | 29% | 0.294 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -62.3 | -43.7 | -180 | -56.6 | 0 | 0 | 0 | 0 | 111.5 | F669 Q695 M696 V697 Q702 R703 | F669-T699 HydrophobicContact CE2-CG2 4.07Å; F669-T699 HydrophobicContact CZ-CG2 4.32Å; Q695-T699 PolarHBondContact O-N 2.66Å; Q695-T699 PolarHBondContact O-OG1 2.85Å; M696-T699 PolarHBondContact O-N 3.3Å; V697-T699 VanDerWaalsContact C-N 3.34Å; V697-T699 PolarHBondContact O-N 3.2Å; T699-Q702 PolarHBondContact O-N 2.82Å; T699-R703 WeakPolarHBondContact O-CB 3.42Å; T699-R703 VanDerWaalsContact O-CG 3.26Å; T699-R703 WeakPolarHBondContact O-CG 3.1Å; T699-R703 PolarHBondContact O-N 3.44Å |
| 700 | A | 92.8 | Very high | 89.7 | Confident | 0 Ų | 0 | 57.9 Ų | 57.9 | 0% | 0 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -66.2 | -39.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | W681 A685 M696 V697 E698 R703 M704 | W681-A700 HydrophobicContact CE3-CB 3.96Å; A685-A700 HydrophobicContact CB-CB 3.74Å; M696-A700 WeakPolarHBondContact O-CB 3.49Å; M696-A700 PolarHBondContact O-N 2.99Å; V697-A700 PolarHBondContact O-N 2.95Å; E698-A700 PolarHBondContact O-N 3.08Å; A700-R703 PolarHBondContact O-N 2.81Å; A700-M704 WeakPolarHBondContact O-CB 3.37Å; A700-M704 VanDerWaalsContact O-CG 3.31Å; A700-M704 WeakPolarHBondContact O-CG 3.49Å; A700-M704 PolarHBondContact O-N 2.84Å |
| 701 | Y | 93.6 | Very high | 90 | Very high | 17 Ų | 17 | 52.8 Ų | 52.8 | 7% | 0.067 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -70.3 | -33.2 | 176.7 | -70.9 | -4.9 | 0 | 0 | 0 | 112.6 | A685 V697 E698 M704 K705 N706 K709 | A685-Y701 HydrophobicContact CB-CD1 4.04Å; A685-Y701 HydrophobicContact CB-CE1 3.56Å; V697-Y701 HydrophobicContact CG1-CD1 4.31Å; V697-Y701 HydrophobicContact CG1-CD2 3.66Å; V697-Y701 HydrophobicContact CG1-CE1 4.01Å; V697-Y701 HydrophobicContact CG1-CE2 3.27Å; V697-Y701 HydrophobicContact CG1-CG 4.16Å; V697-Y701 VanDerWaalsContact CG1-CZ 3.46Å; V697-Y701 WeakPolarHBondContact O-CB 3.44Å; V697-Y701 VanDerWaalsContact O-CG 3.31Å; V697-Y701 PolarHBondContact O-N 2.71Å; E698-Y701 PolarHBondContact O-N 3.2Å; Y701-M704 HydrophobicContact CD1-CE 3.67Å; Y701-M704 HydrophobicContact CE1-CE 4.05Å; Y701-K705 PolarHBondContact O-N 3.12Å; Y701-N706 PolarHBondContact O-N 2.67Å; Y701-K709 HydrophobicContact CD1-CD 4.45Å; Y701-K709 HydrophobicContact CD2-CB 3.61Å; Y701-K709 HydrophobicContact CD2-CD 4.44Å; Y701-K709 HydrophobicContact CE1-CD 3.84Å; Y701-K709 HydrophobicContact CE2-CB 3.53Å; Y701-K709 HydrophobicContact CE2-CD 3.86Å; Y701-K709 HydrophobicContact CE2-CG 4.3Å; Y701-K709 HydrophobicContact CG-CB 4.28Å |
| 702 | Q | 91.4 | Very high | 90.3 | Very high | 94 Ų | 94 | 57.8 Ų | 57.8 | 44% | 0.439 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -65.1 | -49 | 169.6 | -72.7 | 175.7 | 7.9 | 0 | 0 | 111.4 | E698 T699 M704 K705 L710 | E698-Q702 WeakPolarHBondContact O-CB 3.39Å; E698-Q702 VanDerWaalsContact O-CG 3.27Å; E698-Q702 WeakPolarHBondContact O-CG 3.29Å; E698-Q702 PolarHBondContact O-N 2.9Å; E698-Q702 PolarHBondContact OE1-NE2 2.87Å; T699-Q702 PolarHBondContact O-N 2.82Å; Q702-M704 VanDerWaalsContact C-N 3.3Å; Q702-M704 PolarHBondContact O-N 2.9Å; Q702-K705 PolarHBondContact O-N 3.04Å; Q702-L710 HydrophobicContact CG-CD1 3.94Å; Q702-L710 HydrophobicContact CG-CD2 4.17Å |
| 703 | R | 91.1 | Very high | 90.6 | Very high | 160 Ų | 160 | 57.4 Ų | 57.4 | 60% | 0.604 | 26% | 0.262 | S | S | * | . | H | α-helix | trans | -57.6 | -41.1 | 175.7 | -73 | -78.8 | 171.9 | 161.7 | -4.7 | 112 | W681 T699 A700 K705 | W681-R703 HydrophobicContact CD2-CB 4.34Å; W681-R703 HydrophobicContact CG-CB 4.49Å; W681-R703 HydrophobicContact CZ2-CG 4.35Å; T699-R703 WeakPolarHBondContact O-CB 3.42Å; T699-R703 VanDerWaalsContact O-CG 3.26Å; T699-R703 WeakPolarHBondContact O-CG 3.1Å; T699-R703 PolarHBondContact O-N 3.44Å; A700-R703 PolarHBondContact O-N 2.81Å; R703-K705 VanDerWaalsContact C-N 3.31Å; R703-K705 PolarHBondContact O-N 2.85Å |
| 704 | M | 90.2 | Very high | 90.8 | Very high | 25 Ų | 25 | 56.8 Ų | 56.8 | 12% | 0.123 | 26% | 0.259 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79.8 | -4 | 175.2 | -67.8 | -167.5 | -73.1 | 0 | 0 | 115 | R678 W681 D682 A685 A700 Y701 Q702 N706 | R678-M704 HydrophobicContact CG-CG 4.3Å; R678-M704 HydrophobicContact CG-SD 4.26Å; W681-M704 HydrophobicContact CB-CG 3.84Å; W681-M704 HydrophobicContact CB-SD 4.07Å; D682-M704 HydrophobicContact CB-CE 4.13Å; D682-M704 HydrophobicContact CB-SD 3.65Å; A685-M704 HydrophobicContact CB-CE 4.05Å; A700-M704 WeakPolarHBondContact O-CB 3.37Å; A700-M704 VanDerWaalsContact O-CG 3.31Å; A700-M704 WeakPolarHBondContact O-CG 3.49Å; A700-M704 PolarHBondContact O-N 2.84Å; Y701-M704 HydrophobicContact CD1-CE 3.67Å; Y701-M704 HydrophobicContact CE1-CE 4.05Å; Q702-M704 VanDerWaalsContact C-N 3.3Å; Q702-M704 PolarHBondContact O-N 2.9Å; M704-N706 VanDerWaalsContact C-N 3.27Å; M704-N706 PolarHBondContact O-N 2.92Å |
| 705 | K | 90 | Very high | 90.7 | Very high | 157 Ų | 157 | 58.2 Ų | 58.2 | 68% | 0.683 | 27% | 0.269 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.6 | 38.1 | -175.6 | -57.6 | -177.5 | -179 | 179.8 | 0 | 114 | Y701 Q702 R703 F707 | Y701-K705 PolarHBondContact O-N 3.12Å; Q702-K705 PolarHBondContact O-N 3.04Å; R703-K705 VanDerWaalsContact C-N 3.31Å; R703-K705 PolarHBondContact O-N 2.85Å; K705-F707 HydrophobicContact CB-CE2 4.05Å; K705-F707 HydrophobicContact CB-CZ 4.25Å; K705-F707 VanDerWaalsContact O-CD2 3.23Å; K705-F707 WeakPolarHBondContact O-CD2 3.35Å; K705-F707 WeakPolarHBondContact O-CE2 3.21Å; K705-F707 PolarHBondContact O-N 3.3Å |
| 706 | N | 89.8 | Confident | 90.5 | Very high | 44 Ų | 44 | 59.6 Ų | 59.6 | 24% | 0.235 | 28% | 0.278 | C | S | . | . | trans | -91.8 | 78.4 | -179.1 | -165.8 | -30.4 | 0 | 0 | 0 | 111.7 | Y701 M704 E708 K709 L710 | Y701-N706 PolarHBondContact O-N 2.67Å; M704-N706 VanDerWaalsContact C-N 3.27Å; M704-N706 PolarHBondContact O-N 2.92Å; N706-E708 VanDerWaalsContact C-N 3.35Å; N706-E708 PolarHBondContact O-N 2.84Å; N706-K709 WeakPolarHBondContact ND2-CD 3.31Å; N706-K709 PolarHBondContact O-N 2.9Å; N706-K709 WeakPolarHBondContact OD1-CG 3.35Å; N706-K709 PolarHBondContact OD1-N 3.46Å; N706-L710 WeakPolarHBondContact O-CB 3.22Å; N706-L710 PolarHBondContact O-N 2.55Å | ||
| 707 | F | 90.5 | Very high | 90.3 | Very high | 67 Ų | 67 | 59.3 Ų | 59.3 | 29% | 0.294 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -64.5 | -29.6 | -172.7 | -57.7 | -78.4 | 0 | 0 | 0 | 115 | K705 L710 T711 M726 I729 | K705-F707 HydrophobicContact CB-CE2 4.05Å; K705-F707 HydrophobicContact CB-CZ 4.25Å; K705-F707 VanDerWaalsContact O-CD2 3.23Å; K705-F707 WeakPolarHBondContact O-CD2 3.35Å; K705-F707 WeakPolarHBondContact O-CE2 3.21Å; K705-F707 PolarHBondContact O-N 3.3Å; F707-L710 PolarHBondContact O-N 3.31Å; F707-T711 WeakPolarHBondContact O-CB 3.32Å; F707-T711 PolarHBondContact O-N 2.68Å; F707-T711 PolarHBondContact O-OG1 3.06Å; F707-M726 HydrophobicContact CD1-SD 4.41Å; F707-I729 HydrophobicContact CD1-CG2 4.22Å; F707-I729 HydrophobicContact CE1-CG2 4.14Å |
| 708 | E | 88.9 | Confident | 89.9 | Confident | 163 Ų | 163 | 59.7 Ų | 59.7 | 76% | 0.762 | 28% | 0.281 | S | S | * | . | H | α-helix | trans | -67.7 | -51.6 | 177.1 | -69.2 | 174.6 | -170.9 | 0 | 0 | 110.8 | N706 L710 T711 F712 | N706-E708 VanDerWaalsContact C-N 3.35Å; N706-E708 PolarHBondContact O-N 2.84Å; E708-L710 PolarHBondContact O-N 3.22Å; E708-T711 PolarHBondContact O-N 2.78Å; E708-F712 PolarHBondContact O-N 3.14Å |
| 709 | K | 90.7 | Very high | 89.7 | Confident | 81 Ų | 81 | 59.3 Ų | 59.3 | 35% | 0.352 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -61.4 | -35.1 | 174.8 | -67.8 | -168.9 | -175.2 | -178.5 | 0 | 111.6 | D682 Y701 N706 L713 | D682-K709 IonicContact OD1-NZ 2.75Å; Y701-K709 HydrophobicContact CD1-CD 4.45Å; Y701-K709 HydrophobicContact CD2-CB 3.61Å; Y701-K709 HydrophobicContact CD2-CD 4.44Å; Y701-K709 HydrophobicContact CE1-CD 3.84Å; Y701-K709 HydrophobicContact CE2-CB 3.53Å; Y701-K709 HydrophobicContact CE2-CD 3.86Å; Y701-K709 HydrophobicContact CE2-CG 4.3Å; Y701-K709 HydrophobicContact CG-CB 4.28Å; N706-K709 WeakPolarHBondContact ND2-CD 3.31Å; N706-K709 PolarHBondContact O-N 2.9Å; N706-K709 WeakPolarHBondContact OD1-CG 3.35Å; N706-K709 PolarHBondContact OD1-N 3.46Å; K709-L713 WeakPolarHBondContact O-CB 3.36Å; K709-L713 PolarHBondContact O-N 3.04Å |
| 710 | L | 91.9 | Very high | 89.5 | Confident | 6 Ų | 6 | 62 Ų | 62 | 3% | 0.031 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -66.6 | -44 | 176 | -153.2 | 79.6 | 0 | 0 | 0 | 112.1 | E698 Q702 N706 F707 E708 L713 Y714 M726 | E698-L710 HydrophobicContact CG-CD1 3.98Å; Q702-L710 HydrophobicContact CG-CD1 3.94Å; Q702-L710 HydrophobicContact CG-CD2 4.17Å; N706-L710 WeakPolarHBondContact O-CB 3.22Å; N706-L710 PolarHBondContact O-N 2.55Å; F707-L710 PolarHBondContact O-N 3.31Å; E708-L710 PolarHBondContact O-N 3.22Å; L710-L713 WeakPolarHBondContact O-CB 3.31Å; L710-L713 PolarHBondContact O-N 3.19Å; L710-Y714 HydrophobicContact CB-CE2 4.48Å; L710-Y714 HydrophobicContact CD2-CE2 3.7Å; L710-Y714 WeakPolarHBondContact CD2-OH 3.37Å; L710-Y714 HydrophobicContact CG-CD2 4.43Å; L710-Y714 HydrophobicContact CG-CE1 4.44Å; L710-Y714 HydrophobicContact CG-CE2 3.59Å; L710-Y714 WeakPolarHBondContact CG-OH 3.49Å; L710-Y714 VanDerWaalsContact O-CD2 3.25Å; L710-Y714 WeakPolarHBondContact O-CD2 3.44Å; L710-Y714 VanDerWaalsContact O-CG 3.29Å; L710-Y714 PolarHBondContact O-N 3.35Å; L710-M726 HydrophobicContact CD2-CE 4.15Å; L710-M726 HydrophobicContact CD2-SD 3.9Å |
| 711 | T | 91.3 | Very high | 89.3 | Confident | 22 Ų | 22 | 68.1 Ų | 68.1 | 14% | 0.135 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -61.8 | -45.3 | 175.1 | -60.9 | 0 | 0 | 0 | 0 | 110.9 | F707 E708 L713 Y714 V715 L723 V742 | F707-T711 WeakPolarHBondContact O-CB 3.32Å; F707-T711 PolarHBondContact O-N 2.68Å; F707-T711 PolarHBondContact O-OG1 3.06Å; E708-T711 PolarHBondContact O-N 2.78Å; T711-L713 VanDerWaalsContact C-N 3.34Å; T711-L713 PolarHBondContact O-N 3.32Å; T711-Y714 PolarHBondContact O-N 2.88Å; T711-Y714 VanDerWaalsContact O-N 3.16Å; T711-V715 WeakPolarHBondContact O-CG2 3.36Å; T711-V715 PolarHBondContact O-N 2.88Å; T711-L723 HydrophobicContact CG2-CD2 3.96Å; T711-V742 HydrophobicContact CG2-CG2 3.68Å |
| 712 | F | 90.2 | Very high | 89.1 | Confident | 134 Ų | 134 | 70.3 Ų | 70.3 | 59% | 0.588 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -62.4 | -39.3 | 175.9 | -169.6 | -116.2 | 0 | 0 | 0 | 112.4 | E708 Y714 V715 I716 | E708-F712 PolarHBondContact O-N 3.14Å; F712-Y714 VanDerWaalsContact C-N 3.34Å; F712-Y714 PolarHBondContact O-N 2.83Å; F712-V715 PolarHBondContact O-N 3.37Å; F712-I716 HydrophobicContact CD1-CD1 3.75Å; F712-I716 HydrophobicContact CE1-CD1 3.41Å; F712-I716 VanDerWaalsContact CE1-CD1 3.41Å; F712-I716 HydrophobicContact CE1-CG1 4.47Å; F712-I716 HydrophobicContact CE2-CD1 4.4Å; F712-I716 HydrophobicContact CG-CD1 4.4Å; F712-I716 HydrophobicContact CZ-CD1 3.77Å; F712-I716 HydrophobicContact CZ-CG1 4.49Å; F712-I716 WeakPolarHBondContact O-CG1 3.39Å; F712-I716 PolarHBondContact O-N 2.87Å |
| 713 | L | 89.7 | Confident | 89 | Confident | 14 Ų | 14 | 66.1 Ų | 66.1 | 7% | 0.073 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -61 | -41.2 | 173.1 | -169.9 | 66.5 | 0 | 0 | 0 | 111.7 | H694 V697 E698 K709 L710 T711 I716 T717 | H694-L713 HydrophobicContact CB-CD1 4.21Å; V697-L713 HydrophobicContact CG1-CD2 4.31Å; E698-L713 HydrophobicContact CB-CD2 3.88Å; E698-L713 HydrophobicContact CG-CD2 4.38Å; K709-L713 WeakPolarHBondContact O-CB 3.36Å; K709-L713 PolarHBondContact O-N 3.04Å; L710-L713 WeakPolarHBondContact O-CB 3.31Å; L710-L713 PolarHBondContact O-N 3.19Å; T711-L713 VanDerWaalsContact C-N 3.34Å; T711-L713 PolarHBondContact O-N 3.32Å; L713-I716 PolarHBondContact O-N 2.9Å; L713-T717 WeakPolarHBondContact O-CB 3.32Å; L713-T717 WeakPolarHBondContact O-CG2 3.19Å; L713-T717 PolarHBondContact O-N 2.94Å; L713-T717 PolarHBondContact O-OG1 2.83Å |
| 714 | Y | 90.1 | Very high | 89 | Confident | 7 Ų | 7 | 64.7 Ų | 64.7 | 3% | 0.027 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -71.6 | -29.3 | 176.8 | -59.7 | -32.3 | 0 | 0 | 0 | 114.1 | E698 L710 T711 F712 T717 G718 N719 K722 M726 | E698-Y714 HydrophobicContact CG-CE1 4.1Å; E698-Y714 PolarHBondContact OE1-OH 2.85Å; L710-Y714 HydrophobicContact CB-CE2 4.48Å; L710-Y714 HydrophobicContact CD2-CE2 3.7Å; L710-Y714 WeakPolarHBondContact CD2-OH 3.37Å; L710-Y714 HydrophobicContact CG-CD2 4.43Å; L710-Y714 HydrophobicContact CG-CE1 4.44Å; L710-Y714 HydrophobicContact CG-CE2 3.59Å; L710-Y714 WeakPolarHBondContact CG-OH 3.49Å; L710-Y714 VanDerWaalsContact O-CD2 3.25Å; L710-Y714 WeakPolarHBondContact O-CD2 3.44Å; L710-Y714 VanDerWaalsContact O-CG 3.29Å; L710-Y714 PolarHBondContact O-N 3.35Å; T711-Y714 PolarHBondContact O-N 2.88Å; T711-Y714 VanDerWaalsContact O-N 3.16Å; F712-Y714 VanDerWaalsContact C-N 3.34Å; F712-Y714 PolarHBondContact O-N 2.83Å; Y714-T717 WeakPolarHBondContact CA-OG1 3.39Å; Y714-G718 PolarHBondContact O-N 3.42Å; Y714-G718 VanDerWaalsContact O-N 3.12Å; Y714-N719 PolarHBondContact O-N 2.97Å; Y714-K722 HydrophobicContact CD1-CB 3.89Å; Y714-K722 HydrophobicContact CD1-CD 3.85Å; Y714-K722 HydrophobicContact CD2-CB 3.7Å; Y714-K722 HydrophobicContact CE1-CB 3.93Å; Y714-K722 HydrophobicContact CE1-CD 3.3Å; Y714-K722 HydrophobicContact CE1-CG 4.24Å; Y714-K722 HydrophobicContact CE2-CB 3.73Å; Y714-K722 HydrophobicContact CE2-CD 4.38Å; Y714-K722 HydrophobicContact CG-CB 3.79Å; Y714-M726 HydrophobicContact CD2-CG 3.72Å; Y714-M726 HydrophobicContact CE2-CE 3.96Å; Y714-M726 HydrophobicContact CE2-CG 3.8Å; Y714-M726 HydrophobicContact CE2-SD 4.09Å |
| 715 | V | 87.9 | Confident | 89.1 | Confident | 52 Ų | 52 | 69.8 Ų | 69.8 | 32% | 0.315 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -65.1 | -48.8 | 168.5 | 174.7 | 0 | 0 | 0 | 0 | 110.4 | T711 F712 G718 L723 F745 | T711-V715 WeakPolarHBondContact O-CG2 3.36Å; T711-V715 PolarHBondContact O-N 2.88Å; F712-V715 PolarHBondContact O-N 3.37Å; V715-G718 PolarHBondContact O-N 3.43Å; V715-L723 HydrophobicContact CG2-CD1 3.99Å; V715-L723 HydrophobicContact CG2-CD2 3.98Å; V715-F745 HydrophobicContact CG2-CB 4.11Å; V715-F745 HydrophobicContact CG2-CD1 4.43Å; V715-F745 HydrophobicContact CG2-CD2 3.6Å; V715-F745 HydrophobicContact CG2-CE2 4.09Å; V715-F745 HydrophobicContact CG2-CG 3.8Å |
| 716 | I | 85.3 | Confident | 89.1 | Confident | 115 Ų | 115 | 63.1 Ų | 63.1 | 59% | 0.59 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -65.2 | -42.9 | -179.3 | -69.8 | 171.5 | 0 | 0 | 0 | 112.1 | F712 L713 G718 | F712-I716 HydrophobicContact CD1-CD1 3.75Å; F712-I716 HydrophobicContact CE1-CD1 3.41Å; F712-I716 VanDerWaalsContact CE1-CD1 3.41Å; F712-I716 HydrophobicContact CE1-CG1 4.47Å; F712-I716 HydrophobicContact CE2-CD1 4.4Å; F712-I716 HydrophobicContact CG-CD1 4.4Å; F712-I716 HydrophobicContact CZ-CD1 3.77Å; F712-I716 HydrophobicContact CZ-CG1 4.49Å; F712-I716 WeakPolarHBondContact O-CG1 3.39Å; F712-I716 PolarHBondContact O-N 2.87Å; L713-I716 PolarHBondContact O-N 2.9Å; I716-G718 PolarHBondContact O-N 2.93Å |
| 717 | T | 84.7 | Confident | 89.3 | Confident | 13 Ų | 13 | 61.8 Ų | 61.8 | 8% | 0.08 | 28% | 0.284 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -76.2 | -8.2 | 178.1 | 51.9 | 0 | 0 | 0 | 0 | 113.5 | L713 Y714 N719 N810 C811 | L713-T717 WeakPolarHBondContact O-CB 3.32Å; L713-T717 WeakPolarHBondContact O-CG2 3.19Å; L713-T717 PolarHBondContact O-N 2.94Å; L713-T717 PolarHBondContact O-OG1 2.83Å; Y714-T717 WeakPolarHBondContact CA-OG1 3.39Å; T717-N719 VanDerWaalsContact C-N 3.29Å; T717-N719 PolarHBondContact O-N 3.34Å; T717-N810 WeakPolarHBondContact O-CA 3.1Å; T717-N810 PolarHBondContact O-OD1 3.37Å; T717-C811 HydrophobicContact CG2-CB 4.44Å; T717-C811 PolarHBondContact O-N 2.89Å |
| 718 | G | 84.5 | Confident | 89.3 | Confident | 7 Ų | 7 | 64.7 Ų | 64.7 | 7% | 0.072 | 30% | 0.296 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 73.1 | 15.2 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | Y714 V715 I716 R720 | Y714-G718 PolarHBondContact O-N 3.42Å; Y714-G718 VanDerWaalsContact O-N 3.12Å; V715-G718 PolarHBondContact O-N 3.43Å; I716-G718 PolarHBondContact O-N 2.93Å; G718-R720 PolarHBondContact O-N 2.85Å |
| 719 | N | 87.2 | Confident | 89.4 | Confident | 20 Ų | 20 | 59.6 Ų | 59.6 | 11% | 0.107 | 27% | 0.273 | C | S | . | . | trans | -81.3 | 81.1 | -173.8 | -161.9 | -47.8 | 0 | 0 | 0 | 112.2 | Y714 T717 E721 K722 L723 N810 | Y714-N719 PolarHBondContact O-N 2.97Å; T717-N719 VanDerWaalsContact C-N 3.29Å; T717-N719 PolarHBondContact O-N 3.34Å; N719-E721 VanDerWaalsContact C-N 3.26Å; N719-E721 PolarHBondContact O-N 3.16Å; N719-E721 PolarHBondContact OD1-N 2.8Å; N719-K722 HydrophobicContact CB-CB 4.28Å; N719-K722 PolarHBondContact O-N 3.12Å; N719-K722 WeakPolarHBondContact OD1-CB 3.15Å; N719-K722 WeakPolarHBondContact OD1-CG 3.31Å; N719-K722 PolarHBondContact OD1-N 3.1Å; N719-L723 PolarHBondContact O-N 2.85Å; N719-N810 WeakPolarHBondContact CB-OD1 3.46Å; N719-N810 PolarHBondContact ND2-ND2 2.95Å; N719-N810 PolarHBondContact ND2-OD1 2.9Å | ||
| 720 | R | 87.4 | Confident | 89.4 | Confident | 103 Ų | 103 | 56 Ų | 56 | 39% | 0.389 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -61.4 | -28.5 | -177.9 | -61 | -177.9 | 91.2 | 175.3 | 5.3 | 113.5 | G718 R724 L746 P807 | G718-R720 PolarHBondContact O-N 2.85Å; R720-R724 WeakPolarHBondContact O-CB 3.5Å; R720-R724 PolarHBondContact O-N 3Å; R720-L746 HydrophobicContact CB-CD2 3.96Å; R720-L746 HydrophobicContact CG-CD2 4.34Å; R720-L746 PolarHBondContact NH2-O 2.93Å; R720-P807 HydrophobicContact CG-CG 4.43Å |
| 721 | E | 88.6 | Confident | 89.3 | Confident | 130 Ų | 130 | 59.7 Ų | 59.7 | 61% | 0.607 | 28% | 0.276 | S | S | * | . | H | α-helix | trans | -69.1 | -49.2 | 174.9 | -70.4 | 175.7 | -157.8 | 0 | 0 | 112.3 | N719 L723 R724 K725 | N719-E721 VanDerWaalsContact C-N 3.26Å; N719-E721 PolarHBondContact O-N 3.16Å; N719-E721 PolarHBondContact OD1-N 2.8Å; E721-L723 VanDerWaalsContact C-N 3.3Å; E721-L723 PolarHBondContact O-N 3Å; E721-R724 PolarHBondContact O-N 3.43Å; E721-R724 VanDerWaalsContact O-N 3.16Å; E721-K725 WeakPolarHBondContact O-CG 2.87Å; E721-K725 PolarHBondContact O-N 2.84Å |
| 722 | K | 89.6 | Confident | 89.3 | Confident | 62 Ų | 62 | 65.7 Ų | 65.7 | 27% | 0.27 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -65 | -35.6 | 176.2 | -68.3 | -173.8 | -172 | -172.5 | 0 | 110.9 | E698 Y714 N719 K725 M726 | E698-K722 IonicContact OE1-NZ 3.38Å; E698-K722 PolarHBondContact OE1-NZ 3.24Å; E698-K722 IonicContact OE2-NZ 3.18Å; E698-K722 PolarHBondContact OE2-NZ 3.45Å; Y714-K722 HydrophobicContact CD1-CB 3.89Å; Y714-K722 HydrophobicContact CD1-CD 3.85Å; Y714-K722 HydrophobicContact CD2-CB 3.7Å; Y714-K722 HydrophobicContact CE1-CB 3.93Å; Y714-K722 HydrophobicContact CE1-CD 3.3Å; Y714-K722 HydrophobicContact CE1-CG 4.24Å; Y714-K722 HydrophobicContact CE2-CB 3.73Å; Y714-K722 HydrophobicContact CE2-CD 4.38Å; Y714-K722 HydrophobicContact CG-CB 3.79Å; N719-K722 HydrophobicContact CB-CB 4.28Å; N719-K722 PolarHBondContact O-N 3.12Å; N719-K722 WeakPolarHBondContact OD1-CB 3.15Å; N719-K722 WeakPolarHBondContact OD1-CG 3.31Å; N719-K722 PolarHBondContact OD1-N 3.1Å; K722-K725 CarbonylContact O-C 3.59Å; K722-K725 WeakPolarHBondContact O-CB 3.39Å; K722-K725 PolarHBondContact O-N 2.94Å; K722-M726 WeakPolarHBondContact O-CG 3.5Å; K722-M726 PolarHBondContact O-N 3.21Å |
| 723 | L | 90 | Very high | 89.3 | Confident | 6 Ų | 6 | 65.8 Ų | 65.8 | 3% | 0.031 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -58.6 | -47.8 | 167.8 | -95.5 | 155.2 | 0 | 0 | 0 | 112.4 | T711 V715 N719 E721 K725 M726 M727 V742 F745 L746 | T711-L723 HydrophobicContact CG2-CD2 3.96Å; V715-L723 HydrophobicContact CG2-CD1 3.99Å; V715-L723 HydrophobicContact CG2-CD2 3.98Å; N719-L723 PolarHBondContact O-N 2.85Å; E721-L723 VanDerWaalsContact C-N 3.3Å; E721-L723 PolarHBondContact O-N 3Å; L723-K725 VanDerWaalsContact C-N 3.27Å; L723-K725 PolarHBondContact O-N 3.44Å; L723-M726 CarbonylContact O-C 3.6Å; L723-M726 WeakPolarHBondContact O-CA 3.38Å; L723-M726 WeakPolarHBondContact O-CB 3.42Å; L723-M726 PolarHBondContact O-N 3.03Å; L723-M727 PolarHBondContact O-N 3.05Å; L723-V742 HydrophobicContact CD2-CG1 3.88Å; L723-V742 HydrophobicContact CD2-CG2 4.24Å; L723-V742 VanDerWaalsContact O-CG1 3.27Å; L723-V742 WeakPolarHBondContact O-CG1 3.31Å; L723-F745 HydrophobicContact CD2-CB 4.49Å; L723-L746 HydrophobicContact CB-CD2 3.86Å; L723-L746 HydrophobicContact CB-CG 4.28Å |
| 724 | R | 91.4 | Very high | 89.2 | Confident | 130 Ų | 130 | 73.8 Ų | 73.8 | 49% | 0.491 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -62.6 | -33.9 | 176.4 | -164.4 | -177.5 | -66.5 | 126.8 | -4.2 | 112.2 | R720 E721 M727 K728 L746 | R720-R724 WeakPolarHBondContact O-CB 3.5Å; R720-R724 PolarHBondContact O-N 3Å; E721-R724 PolarHBondContact O-N 3.43Å; E721-R724 VanDerWaalsContact O-N 3.16Å; R724-M727 WeakPolarHBondContact O-CB 3.46Å; R724-M727 PolarHBondContact O-N 2.98Å; R724-K728 PolarHBondContact O-N 2.75Å; R724-L746 HydrophobicContact CB-CD1 4.17Å; R724-L746 HydrophobicContact CG-CD1 4.49Å |
| 725 | K | 90.9 | Very high | 89.2 | Confident | 132 Ų | 132 | 76.2 Ų | 76.2 | 57% | 0.574 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -66 | -39.4 | 169.2 | -68.6 | 176.3 | -179.6 | 178.7 | 0 | 111.9 | E721 K722 L723 M727 K728 I729 | E721-K725 WeakPolarHBondContact O-CG 2.87Å; E721-K725 PolarHBondContact O-N 2.84Å; K722-K725 CarbonylContact O-C 3.59Å; K722-K725 WeakPolarHBondContact O-CB 3.39Å; K722-K725 PolarHBondContact O-N 2.94Å; L723-K725 VanDerWaalsContact C-N 3.27Å; L723-K725 PolarHBondContact O-N 3.44Å; K725-M727 VanDerWaalsContact C-N 3.32Å; K725-M727 PolarHBondContact O-N 3.04Å; K725-K728 PolarHBondContact O-N 2.61Å; K725-I729 WeakPolarHBondContact O-CG1 3.48Å; K725-I729 PolarHBondContact O-N 2.75Å |
| 726 | M | 91.1 | Very high | 89.3 | Confident | 18 Ų | 18 | 76.8 Ų | 76.8 | 9% | 0.089 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -64 | -35.1 | 172.4 | -67.9 | -52.3 | 102.5 | 0 | 0 | 112.2 | F707 L710 Y714 K722 L723 I729 A730 | F707-M726 HydrophobicContact CD1-SD 4.41Å; L710-M726 HydrophobicContact CD2-CE 4.15Å; L710-M726 HydrophobicContact CD2-SD 3.9Å; Y714-M726 HydrophobicContact CD2-CG 3.72Å; Y714-M726 HydrophobicContact CE2-CE 3.96Å; Y714-M726 HydrophobicContact CE2-CG 3.8Å; Y714-M726 HydrophobicContact CE2-SD 4.09Å; K722-M726 WeakPolarHBondContact O-CG 3.5Å; K722-M726 PolarHBondContact O-N 3.21Å; L723-M726 CarbonylContact O-C 3.6Å; L723-M726 WeakPolarHBondContact O-CA 3.38Å; L723-M726 WeakPolarHBondContact O-CB 3.42Å; L723-M726 PolarHBondContact O-N 3.03Å; M726-I729 HydrophobicContact CE-CD1 3.52Å; M726-I729 CarbonylContact O-C 3.56Å; M726-I729 PolarHBondContact O-N 3.13Å; M726-I729 HydrophobicContact SD-CD1 4.34Å; M726-A730 WeakPolarHBondContact O-CB 3.47Å; M726-A730 PolarHBondContact O-N 3.25Å |
| 727 | M | 92.2 | Very high | 89.5 | Confident | 16 Ų | 16 | 74.9 Ų | 74.9 | 8% | 0.079 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -59.6 | -49 | 174.2 | -154.1 | 170.9 | 75.8 | 0 | 0 | 111.2 | L723 R724 K725 I729 A730 E731 Q739 V742 A743 L746 E751 | L723-M727 PolarHBondContact O-N 3.05Å; R724-M727 WeakPolarHBondContact O-CB 3.46Å; R724-M727 PolarHBondContact O-N 2.98Å; K725-M727 VanDerWaalsContact C-N 3.32Å; K725-M727 PolarHBondContact O-N 3.04Å; M727-I729 VanDerWaalsContact C-N 3.32Å; M727-I729 PolarHBondContact O-N 2.85Å; M727-A730 WeakPolarHBondContact O-CB 3.19Å; M727-A730 PolarHBondContact O-N 2.77Å; M727-E731 PolarHBondContact O-N 2.91Å; M727-Q739 HydrophobicContact CG-CG 3.96Å; M727-V742 HydrophobicContact CB-CB 4.26Å; M727-V742 HydrophobicContact CB-CG1 3.54Å; M727-V742 HydrophobicContact CG-CB 4.2Å; M727-V742 HydrophobicContact CG-CG1 3.86Å; M727-V742 HydrophobicContact SD-CG1 4.28Å; M727-A743 HydrophobicContact SD-CB 3.99Å; M727-L746 HydrophobicContact SD-CD1 3.89Å; M727-E751 HydrophobicContact CE-CB 4.44Å; M727-E751 HydrophobicContact CE-CG 3.81Å; M727-E751 HydrophobicContact SD-CG 4.06Å |
| 728 | K | 91.5 | Very high | 89.7 | Confident | 127 Ų | 127 | 74.9 Ų | 74.9 | 55% | 0.552 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -63.5 | -35.5 | 175 | -66.5 | -170.5 | 176.4 | -168.8 | 0 | 112.5 | R724 K725 E731 L732 | R724-K728 PolarHBondContact O-N 2.75Å; K725-K728 PolarHBondContact O-N 2.61Å; K728-E731 PolarHBondContact O-N 2.83Å; K728-L732 WeakPolarHBondContact O-CB 3.44Å; K728-L732 WeakPolarHBondContact O-CG 3.46Å; K728-L732 PolarHBondContact O-N 3.18Å |
| 729 | I | 90.4 | Very high | 90.1 | Very high | 56 Ų | 56 | 74.9 Ų | 74.9 | 29% | 0.287 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -69.2 | -35.1 | 174.5 | -73.7 | 163.5 | 0 | 0 | 0 | 111.4 | F707 K725 M726 M727 R733 | F707-I729 HydrophobicContact CD1-CG2 4.22Å; F707-I729 HydrophobicContact CE1-CG2 4.14Å; K725-I729 WeakPolarHBondContact O-CG1 3.48Å; K725-I729 PolarHBondContact O-N 2.75Å; M726-I729 HydrophobicContact CE-CD1 3.52Å; M726-I729 CarbonylContact O-C 3.56Å; M726-I729 PolarHBondContact O-N 3.13Å; M726-I729 HydrophobicContact SD-CD1 4.34Å; M727-I729 VanDerWaalsContact C-N 3.32Å; M727-I729 PolarHBondContact O-N 2.85Å; I729-R733 HydrophobicContact CG2-CG 4.46Å; I729-R733 VanDerWaalsContact O-CB 3.27Å; I729-R733 WeakPolarHBondContact O-CB 3.44Å; I729-R733 WeakPolarHBondContact O-CG 3.36Å; I729-R733 PolarHBondContact O-N 2.92Å |
| 730 | A | 90.5 | Very high | 90.3 | Very high | 7 Ų | 7 | 76.9 Ų | 76.9 | 6% | 0.058 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -66.7 | -45.6 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | M726 M727 R733 K734 D735 Q739 | M726-A730 WeakPolarHBondContact O-CB 3.47Å; M726-A730 PolarHBondContact O-N 3.25Å; M727-A730 WeakPolarHBondContact O-CB 3.19Å; M727-A730 PolarHBondContact O-N 2.77Å; A730-R733 CarbonylContact O-C 3.07Å; A730-R733 PolarHBondContact O-N 2.78Å; A730-R733 VanDerWaalsContact O-N 3.15Å; A730-K734 PolarHBondContact O-N 3.11Å; A730-D735 HydrophobicContact CB-CB 4.33Å; A730-D735 PolarHBondContact O-N 2.92Å; A730-Q739 HydrophobicContact CB-CB 4.03Å |
| 731 | E | 90.7 | Very high | 90.4 | Very high | 83 Ų | 83 | 76.6 Ų | 76.6 | 39% | 0.388 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -55.9 | -51.5 | 173 | -174.2 | 177.1 | -144.9 | 0 | 0 | 111.4 | M727 K728 R733 K734 Q739 K754 | M727-E731 PolarHBondContact O-N 2.91Å; K728-E731 PolarHBondContact O-N 2.83Å; E731-R733 VanDerWaalsContact C-N 3.27Å; E731-R733 PolarHBondContact O-N 2.88Å; E731-K734 PolarHBondContact O-N 2.89Å; E731-Q739 HydrophobicContact CB-CG 4.49Å; E731-K754 IonicContact OE1-NZ 2.84Å; E731-K754 PolarHBondContact OE1-NZ 3.42Å |
| 732 | L | 92.1 | Very high | 90.5 | Very high | 147 Ų | 147 | 70.6 Ų | 70.6 | 77% | 0.77 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -61.3 | -31.4 | 175.9 | -73.1 | 169 | 0 | 0 | 0 | 113.5 | K728 K734 | K728-L732 WeakPolarHBondContact O-CB 3.44Å; K728-L732 WeakPolarHBondContact O-CG 3.46Å; K728-L732 PolarHBondContact O-N 3.18Å; L732-K734 VanDerWaalsContact C-N 3.32Å |
| 733 | R | 90.1 | Very high | 90.5 | Very high | 137 Ų | 137 | 67.6 Ų | 67.6 | 52% | 0.517 | 32% | 0.321 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.3 | -3.4 | 174.8 | -71.6 | 174.4 | 68.5 | -142 | -5.7 | 113.4 | I729 A730 E731 D735 | I729-R733 HydrophobicContact CG2-CG 4.46Å; I729-R733 VanDerWaalsContact O-CB 3.27Å; I729-R733 WeakPolarHBondContact O-CB 3.44Å; I729-R733 WeakPolarHBondContact O-CG 3.36Å; I729-R733 PolarHBondContact O-N 2.92Å; A730-R733 CarbonylContact O-C 3.07Å; A730-R733 PolarHBondContact O-N 2.78Å; A730-R733 VanDerWaalsContact O-N 3.15Å; E731-R733 VanDerWaalsContact C-N 3.27Å; E731-R733 PolarHBondContact O-N 2.88Å; R733-D735 PolarHBondContact O-N 2.78Å |
| 734 | K | 87.8 | Confident | 90.4 | Very high | 182 Ų | 182 | 70.7 Ų | 70.7 | 79% | 0.791 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.5 | 29.4 | -172.1 | -54.8 | -176.6 | 178.7 | -176.6 | 0 | 113.9 | A730 E731 L732 T736 | A730-K734 PolarHBondContact O-N 3.11Å; E731-K734 PolarHBondContact O-N 2.89Å; L732-K734 VanDerWaalsContact C-N 3.32Å; K734-T736 PolarHBondContact O-N 3.3Å |
| 735 | D | 88.9 | Confident | 90.2 | Very high | 58 Ų | 58 | 68.4 Ų | 68.4 | 31% | 0.31 | 33% | 0.331 | S | S | . | . | trans | -87.6 | 81.1 | 174.3 | -178.3 | 4.7 | 0 | 0 | 0 | 109.7 | A730 R733 C737 G738 Q739 | A730-D735 HydrophobicContact CB-CB 4.33Å; A730-D735 PolarHBondContact O-N 2.92Å; R733-D735 PolarHBondContact O-N 2.78Å; D735-C737 PolarHBondContact O-N 2.94Å; D735-C737 PolarHBondContact OD1-N 2.78Å; D735-G738 PolarHBondContact O-N 3.28Å; D735-G738 PolarHBondContact OD1-N 2.8Å; D735-Q739 WeakPolarHBondContact O-CB 3.43Å; D735-Q739 PolarHBondContact O-N 2.9Å | ||
| 736 | T | 89.7 | Confident | 90 | Very high | 64 Ų | 64 | 62.7 Ų | 62.7 | 39% | 0.393 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -61.6 | -29.3 | -179.6 | 52.9 | 0 | 0 | 0 | 0 | 112.7 | K734 F740 | K734-T736 PolarHBondContact O-N 3.3Å; T736-F740 VanDerWaalsContact O-CB 3.3Å; T736-F740 WeakPolarHBondContact O-CB 3.26Å; T736-F740 PolarHBondContact O-N 2.78Å |
| 737 | C | 90.2 | Very high | 89.7 | Confident | 74 Ų | 74 | 62.9 Ų | 62.9 | 50% | 0.5 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -70.9 | -49.4 | 176.4 | -169.9 | 0 | 0 | 0 | 0 | 110.8 | D735 Q739 F740 Q741 | D735-C737 PolarHBondContact O-N 2.94Å; D735-C737 PolarHBondContact OD1-N 2.78Å; C737-Q739 VanDerWaalsContact C-N 3.33Å; C737-Q739 PolarHBondContact O-N 2.85Å; C737-F740 PolarHBondContact O-N 2.86Å; C737-Q741 WeakPolarHBondContact O-CB 3.46Å; C737-Q741 WeakPolarHBondContact O-CG 3.47Å; C737-Q741 PolarHBondContact O-N 3.01Å |
| 738 | G | 89 | Confident | 89.5 | Confident | 13 Ų | 13 | 64.8 Ų | 64.8 | 13% | 0.134 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -59.3 | -42.3 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | D735 Q741 V742 | D735-G738 PolarHBondContact O-N 3.28Å; D735-G738 PolarHBondContact OD1-N 2.8Å; G738-Q741 PolarHBondContact O-N 2.89Å; G738-V742 WeakPolarHBondContact O-CB 3.49Å; G738-V742 VanDerWaalsContact O-CG2 3.26Å; G738-V742 WeakPolarHBondContact O-CG2 3.44Å; G738-V742 PolarHBondContact O-N 3.07Å |
| 739 | Q | 92 | Very high | 89.4 | Confident | 8 Ų | 8 | 60.5 Ų | 60.5 | 4% | 0.037 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -62 | -45.8 | 175.9 | -165.4 | -174.4 | -15.1 | 0 | 0 | 111.3 | M727 A730 E731 D735 C737 V742 A743 E751 I755 | M727-Q739 HydrophobicContact CG-CG 3.96Å; A730-Q739 HydrophobicContact CB-CB 4.03Å; E731-Q739 HydrophobicContact CB-CG 4.49Å; D735-Q739 WeakPolarHBondContact O-CB 3.43Å; D735-Q739 PolarHBondContact O-N 2.9Å; C737-Q739 VanDerWaalsContact C-N 3.33Å; C737-Q739 PolarHBondContact O-N 2.85Å; Q739-V742 PolarHBondContact O-N 2.88Å; Q739-A743 WeakPolarHBondContact O-CB 3.32Å; Q739-A743 PolarHBondContact O-N 3.24Å; Q739-E751 PolarHBondContact NE2-OE1 3.21Å; Q739-I755 HydrophobicContact CB-CD1 4.2Å; Q739-I755 HydrophobicContact CG-CD1 3.77Å; Q739-I755 HydrophobicContact CG-CG1 4.45Å |
| 740 | F | 91.7 | Very high | 89.4 | Confident | 61 Ų | 61 | 65.7 Ų | 65.7 | 27% | 0.268 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -66.4 | -40.1 | 177.8 | -172.5 | -91.1 | 0 | 0 | 0 | 112.8 | T736 C737 A743 L744 R752 I755 L756 | T736-F740 VanDerWaalsContact O-CB 3.3Å; T736-F740 WeakPolarHBondContact O-CB 3.26Å; T736-F740 PolarHBondContact O-N 2.78Å; C737-F740 PolarHBondContact O-N 2.86Å; F740-A743 PolarHBondContact O-N 3.09Å; F740-L744 WeakPolarHBondContact O-CB 3.37Å; F740-L744 PolarHBondContact O-N 2.71Å; F740-R752 HydrophobicContact CD2-CB 4.45Å; F740-R752 HydrophobicContact CD2-CG 4.17Å; F740-R752 HydrophobicContact CE2-CB 3.99Å; F740-R752 HydrophobicContact CE2-CG 3.91Å; F740-R752 HydrophobicContact CZ-CG 4.41Å; F740-I755 HydrophobicContact CB-CD1 4.27Å; F740-I755 HydrophobicContact CB-CG2 4.4Å; F740-I755 HydrophobicContact CD2-CB 4.44Å; F740-I755 HydrophobicContact CD2-CD1 4.47Å; F740-I755 HydrophobicContact CD2-CG2 4.16Å; F740-L756 HydrophobicContact CE2-CD1 4.31Å; F740-L756 HydrophobicContact CE2-CD2 4.24Å; F740-L756 HydrophobicContact CE2-CG 4.08Å |
| 741 | Q | 90.1 | Very high | 89.3 | Confident | 97 Ų | 97 | 66.7 Ų | 66.7 | 45% | 0.453 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -63.9 | -43.8 | 174.8 | -73.4 | -179.9 | 12.5 | 0 | 0 | 111.7 | C737 G738 L744 F745 | C737-Q741 WeakPolarHBondContact O-CB 3.46Å; C737-Q741 WeakPolarHBondContact O-CG 3.47Å; C737-Q741 PolarHBondContact O-N 3.01Å; G738-Q741 PolarHBondContact O-N 2.89Å; Q741-L744 WeakPolarHBondContact O-CB 3.31Å; Q741-L744 PolarHBondContact O-N 3.17Å; Q741-F745 HydrophobicContact CB-CE2 4.21Å; Q741-F745 WeakPolarHBondContact O-CD2 3.3Å; Q741-F745 VanDerWaalsContact O-CG 3.28Å; Q741-F745 WeakPolarHBondContact O-CG 3.47Å; Q741-F745 PolarHBondContact O-N 3.11Å |
| 742 | V | 90.1 | Very high | 89.3 | Confident | 4 Ų | 4 | 64 Ų | 64 | 2% | 0.024 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -66.4 | -40.6 | 176.6 | 173.5 | 0 | 0 | 0 | 0 | 111.2 | T711 L723 M727 G738 Q739 L744 F745 L746 | T711-V742 HydrophobicContact CG2-CG2 3.68Å; L723-V742 HydrophobicContact CD2-CG1 3.88Å; L723-V742 HydrophobicContact CD2-CG2 4.24Å; L723-V742 VanDerWaalsContact O-CG1 3.27Å; L723-V742 WeakPolarHBondContact O-CG1 3.31Å; M727-V742 HydrophobicContact CB-CB 4.26Å; M727-V742 HydrophobicContact CB-CG1 3.54Å; M727-V742 HydrophobicContact CG-CB 4.2Å; M727-V742 HydrophobicContact CG-CG1 3.86Å; M727-V742 HydrophobicContact SD-CG1 4.28Å; G738-V742 WeakPolarHBondContact O-CB 3.49Å; G738-V742 VanDerWaalsContact O-CG2 3.26Å; G738-V742 WeakPolarHBondContact O-CG2 3.44Å; G738-V742 PolarHBondContact O-N 3.07Å; Q739-V742 PolarHBondContact O-N 2.88Å; V742-L744 VanDerWaalsContact C-N 3.32Å; V742-L744 PolarHBondContact O-N 3.13Å; V742-F745 PolarHBondContact O-N 2.89Å; V742-L746 HydrophobicContact CG1-CD1 3.85Å; V742-L746 HydrophobicContact CG1-CG 4.32Å; V742-L746 WeakPolarHBondContact O-CB 3.5Å; V742-L746 WeakPolarHBondContact O-CG 3.32Å; V742-L746 PolarHBondContact O-N 2.9Å |
| 743 | A | 90 | Very high | 89.2 | Confident | 0 Ų | 0 | 57.2 Ų | 57.2 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -62 | -38.9 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | M727 Q739 F740 L746 G747 D748 E751 R752 I755 | M727-A743 HydrophobicContact SD-CB 3.99Å; Q739-A743 WeakPolarHBondContact O-CB 3.32Å; Q739-A743 PolarHBondContact O-N 3.24Å; F740-A743 PolarHBondContact O-N 3.09Å; A743-L746 PolarHBondContact O-N 3.32Å; A743-G747 PolarHBondContact O-N 2.69Å; A743-D748 HydrophobicContact CB-CB 4.48Å; A743-D748 PolarHBondContact O-N 3.25Å; A743-E751 HydrophobicContact CB-CB 4.26Å; A743-E751 HydrophobicContact CB-CG 4.32Å; A743-R752 HydrophobicContact CB-CG 3.87Å; A743-I755 HydrophobicContact CB-CD1 4.49Å |
| 744 | L | 88.6 | Confident | 89.3 | Confident | 71 Ų | 71 | 53.9 Ų | 53.9 | 37% | 0.372 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -61.6 | -47.4 | 172.6 | -174.9 | 71 | 0 | 0 | 0 | 111.9 | F740 Q741 V742 L746 G747 P804 | F740-L744 WeakPolarHBondContact O-CB 3.37Å; F740-L744 PolarHBondContact O-N 2.71Å; Q741-L744 WeakPolarHBondContact O-CB 3.31Å; Q741-L744 PolarHBondContact O-N 3.17Å; V742-L744 VanDerWaalsContact C-N 3.32Å; V742-L744 PolarHBondContact O-N 3.13Å; L744-L746 VanDerWaalsContact C-N 3.34Å; L744-L746 PolarHBondContact O-N 3.03Å; L744-G747 PolarHBondContact O-N 3.04Å; L744-G747 VanDerWaalsContact O-N 3.17Å; L744-P804 WeakPolarHBondContact O-CG 3.39Å |
| 745 | F | 87.1 | Confident | 89.4 | Confident | 81 Ų | 81 | 45.5 Ų | 45.5 | 36% | 0.355 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -66.7 | -33.1 | 177 | -60.3 | -41.2 | 0 | 0 | 0 | 113.2 | V715 L723 Q741 V742 G747 | V715-F745 HydrophobicContact CG2-CB 4.11Å; V715-F745 HydrophobicContact CG2-CD1 4.43Å; V715-F745 HydrophobicContact CG2-CD2 3.6Å; V715-F745 HydrophobicContact CG2-CE2 4.09Å; V715-F745 HydrophobicContact CG2-CG 3.8Å; L723-F745 HydrophobicContact CD2-CB 4.49Å; Q741-F745 HydrophobicContact CB-CE2 4.21Å; Q741-F745 WeakPolarHBondContact O-CD2 3.3Å; Q741-F745 VanDerWaalsContact O-CG 3.28Å; Q741-F745 WeakPolarHBondContact O-CG 3.47Å; Q741-F745 PolarHBondContact O-N 3.11Å; V742-F745 PolarHBondContact O-N 2.89Å; F745-G747 VanDerWaalsContact C-N 3.29Å |
| 746 | L | 87 | Confident | 89.5 | Confident | 12 Ų | 12 | 43.2 Ų | 43.2 | 6% | 0.063 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -74.8 | -19.2 | 174.1 | -74.2 | 173 | 0 | 0 | 0 | 112.7 | R720 L723 R724 M727 V742 A743 L744 D748 | R720-L746 HydrophobicContact CB-CD2 3.96Å; R720-L746 HydrophobicContact CG-CD2 4.34Å; R720-L746 PolarHBondContact NH2-O 2.93Å; L723-L746 HydrophobicContact CB-CD2 3.86Å; L723-L746 HydrophobicContact CB-CG 4.28Å; R724-L746 HydrophobicContact CB-CD1 4.17Å; R724-L746 HydrophobicContact CG-CD1 4.49Å; M727-L746 HydrophobicContact SD-CD1 3.89Å; V742-L746 HydrophobicContact CG1-CD1 3.85Å; V742-L746 HydrophobicContact CG1-CG 4.32Å; V742-L746 WeakPolarHBondContact O-CB 3.5Å; V742-L746 WeakPolarHBondContact O-CG 3.32Å; V742-L746 PolarHBondContact O-N 2.9Å; A743-L746 PolarHBondContact O-N 3.32Å; L744-L746 VanDerWaalsContact C-N 3.34Å; L744-L746 PolarHBondContact O-N 3.03Å; L746-D748 VanDerWaalsContact C-N 3.29Å; L746-D748 HydrophobicContact CB-CB 4.44Å |
| 747 | G | 84.9 | Confident | 89.5 | Confident | 22 Ų | 22 | 44 Ų | 44 | 23% | 0.227 | 22% | 0.215 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 72 | 22.6 | -170.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | A743 L744 F745 I749 | A743-G747 PolarHBondContact O-N 2.69Å; L744-G747 PolarHBondContact O-N 3.04Å; L744-G747 VanDerWaalsContact O-N 3.17Å; F745-G747 VanDerWaalsContact C-N 3.29Å; G747-I749 PolarHBondContact O-N 2.79Å |
| 748 | D | 88 | Confident | 89.5 | Confident | 56 Ų | 56 | 46.1 Ų | 46.1 | 30% | 0.299 | 22% | 0.218 | S | C | . | . | trans | -82.5 | 96.4 | -179.4 | -161.9 | -35.1 | 0 | 0 | 0 | 110.3 | A743 L746 R750 E751 R752 | A743-D748 HydrophobicContact CB-CB 4.48Å; A743-D748 PolarHBondContact O-N 3.25Å; L746-D748 VanDerWaalsContact C-N 3.29Å; L746-D748 HydrophobicContact CB-CB 4.44Å; D748-R750 PolarHBondContact OD1-N 2.79Å; D748-E751 HydrophobicContact CB-CB 4.12Å; D748-E751 PolarHBondContact OD1-N 3.14Å; D748-R752 WeakPolarHBondContact O-CD 3.32Å; D748-R752 VanDerWaalsContact O-CG 3.28Å; D748-R752 WeakPolarHBondContact O-CG 3.24Å; D748-R752 PolarHBondContact O-N 2.79Å | ||
| 749 | I | 87.8 | Confident | 89.5 | Confident | 37 Ų | 37 | 49.1 Ų | 49.1 | 19% | 0.19 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -74.6 | -37.7 | -174.2 | -56.4 | 154.9 | 0 | 0 | 0 | 110.4 | G747 R752 V753 T768 H772 L774 | G747-I749 PolarHBondContact O-N 2.79Å; I749-R752 WeakPolarHBondContact O-CB 2.6Å; I749-R752 PolarHBondContact O-N 3.14Å; I749-V753 HydrophobicContact CG2-CG2 4.46Å; I749-V753 WeakPolarHBondContact O-CG2 3.16Å; I749-V753 PolarHBondContact O-N 2.81Å; I749-T768 HydrophobicContact CG2-CG2 4.46Å; I749-H772 HydrophobicContact CD1-CB 4.19Å; I749-H772 HydrophobicContact CG2-CB 3.74Å; I749-L774 HydrophobicContact CB-CD1 4.4Å; I749-L774 HydrophobicContact CG2-CD1 3.73Å |
| 750 | R | 90.3 | Very high | 89.2 | Confident | 165 Ų | 165 | 57.2 Ų | 57.2 | 62% | 0.623 | 27% | 0.266 | S | S | * | . | H | α-helix | trans | -66.2 | -43.6 | 178.9 | -70.4 | -176.9 | -179.3 | 166.3 | -1 | 111 | D748 R752 V753 K754 L774 | D748-R750 PolarHBondContact OD1-N 2.79Å; R750-R752 VanDerWaalsContact C-N 3.3Å; R750-R752 PolarHBondContact O-N 3.29Å; R750-V753 PolarHBondContact O-N 3.19Å; R750-K754 WeakPolarHBondContact O-CB 3.47Å; R750-K754 PolarHBondContact O-N 3.22Å; R750-L774 HydrophobicContact CG-CD1 4.09Å; R750-L774 HydrophobicContact CG-CD2 4.42Å |
| 751 | E | 90 | Very high | 89.1 | Confident | 29 Ų | 29 | 58.4 Ų | 58.4 | 14% | 0.136 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -64.5 | -36 | 175 | -165.8 | 67.5 | -165.8 | 0 | 0 | 111.3 | M727 Q739 A743 D748 K754 I755 | M727-E751 HydrophobicContact CE-CB 4.44Å; M727-E751 HydrophobicContact CE-CG 3.81Å; M727-E751 HydrophobicContact SD-CG 4.06Å; Q739-E751 PolarHBondContact NE2-OE1 3.21Å; A743-E751 HydrophobicContact CB-CB 4.26Å; A743-E751 HydrophobicContact CB-CG 4.32Å; D748-E751 HydrophobicContact CB-CB 4.12Å; D748-E751 PolarHBondContact OD1-N 3.14Å; E751-K754 PolarHBondContact O-N 3.12Å; E751-K754 IonicContact OE1-NZ 2.68Å; E751-K754 PolarHBondContact OE1-NZ 3.3Å; E751-K754 WeakPolarHBondContact OE2-CD 3.3Å; E751-K754 IonicContact OE2-NZ 2.76Å; E751-K754 PolarHBondContact OE2-NZ 3.49Å; E751-I755 HydrophobicContact CG-CD1 4.08Å; E751-I755 WeakPolarHBondContact O-CB 3.28Å; E751-I755 WeakPolarHBondContact O-CD1 3.45Å; E751-I755 WeakPolarHBondContact O-CG1 3.47Å; E751-I755 PolarHBondContact O-N 2.84Å |
| 752 | R | 90.5 | Very high | 88.9 | Confident | 27 Ų | 27 | 54.7 Ų | 54.7 | 10% | 0.102 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -62.4 | -44.7 | 171.4 | -73.5 | 167.5 | 61.2 | -148.6 | -6.8 | 112.5 | F740 A743 D748 I749 R750 I755 L756 | F740-R752 HydrophobicContact CD2-CB 4.45Å; F740-R752 HydrophobicContact CD2-CG 4.17Å; F740-R752 HydrophobicContact CE2-CB 3.99Å; F740-R752 HydrophobicContact CE2-CG 3.91Å; F740-R752 HydrophobicContact CZ-CG 4.41Å; A743-R752 HydrophobicContact CB-CG 3.87Å; D748-R752 WeakPolarHBondContact O-CD 3.32Å; D748-R752 VanDerWaalsContact O-CG 3.28Å; D748-R752 WeakPolarHBondContact O-CG 3.24Å; D748-R752 PolarHBondContact O-N 2.79Å; I749-R752 WeakPolarHBondContact O-CB 2.6Å; I749-R752 PolarHBondContact O-N 3.14Å; R750-R752 VanDerWaalsContact C-N 3.3Å; R750-R752 PolarHBondContact O-N 3.29Å; R752-I755 PolarHBondContact O-N 2.9Å; R752-L756 WeakPolarHBondContact O-CB 3.28Å; R752-L756 VanDerWaalsContact O-CG 3.23Å; R752-L756 WeakPolarHBondContact O-CG 3.33Å; R752-L756 PolarHBondContact O-N 2.98Å |
| 753 | V | 89.4 | Confident | 88.8 | Confident | 4 Ų | 4 | 56.7 Ų | 56.7 | 2% | 0.024 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -65.9 | -42.8 | 177.8 | 175 | 0 | 0 | 0 | 0 | 110.8 | I749 R750 L756 K757 A765 T768 A769 L774 E777 L781 | I749-V753 HydrophobicContact CG2-CG2 4.46Å; I749-V753 WeakPolarHBondContact O-CG2 3.16Å; I749-V753 PolarHBondContact O-N 2.81Å; R750-V753 PolarHBondContact O-N 3.19Å; V753-L756 PolarHBondContact O-N 3.33Å; V753-K757 WeakPolarHBondContact O-CB 3.26Å; V753-K757 PolarHBondContact O-N 2.78Å; V753-A765 HydrophobicContact CG1-CB 4.2Å; V753-T768 HydrophobicContact CG2-CG2 3.96Å; V753-A769 HydrophobicContact CG1-CB 4.5Å; V753-A769 HydrophobicContact CG2-CB 4.18Å; V753-L774 HydrophobicContact CG2-CD1 4.39Å; V753-E777 VanDerWaalsContact CG1-OE2 3.3Å; V753-E777 WeakPolarHBondContact CG1-OE2 3.24Å; V753-L781 HydrophobicContact CG1-CD1 3.78Å |
| 754 | K | 91.4 | Very high | 88.7 | Confident | 66 Ų | 66 | 61 Ų | 61 | 29% | 0.287 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -54.9 | -54.3 | 171.6 | 173.9 | -169 | 158.7 | -153.8 | 0 | 111.4 | E731 R750 E751 L756 K757 E758 | E731-K754 IonicContact OE1-NZ 2.84Å; E731-K754 PolarHBondContact OE1-NZ 3.42Å; R750-K754 WeakPolarHBondContact O-CB 3.47Å; R750-K754 PolarHBondContact O-N 3.22Å; E751-K754 PolarHBondContact O-N 3.12Å; E751-K754 IonicContact OE1-NZ 2.68Å; E751-K754 PolarHBondContact OE1-NZ 3.3Å; E751-K754 WeakPolarHBondContact OE2-CD 3.3Å; E751-K754 IonicContact OE2-NZ 2.76Å; E751-K754 PolarHBondContact OE2-NZ 3.49Å; K754-L756 VanDerWaalsContact C-N 3.3Å; K754-L756 PolarHBondContact O-N 2.98Å; K754-K757 PolarHBondContact O-N 3.28Å; K754-K757 VanDerWaalsContact O-N 3.13Å; K754-E758 WeakPolarHBondContact CE-OE1 3.4Å; K754-E758 HydrophobicContact CG-CG 4.4Å; K754-E758 WeakPolarHBondContact CG-OE1 3.49Å; K754-E758 WeakPolarHBondContact O-CB 3.4Å; K754-E758 WeakPolarHBondContact O-CG 3.16Å; K754-E758 PolarHBondContact O-N 3.21Å |
| 755 | I | 90.7 | Very high | 88.8 | Confident | 6 Ų | 6 | 57.6 Ų | 57.6 | 3% | 0.031 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -58.8 | -42.7 | 179.3 | -66.1 | 160.6 | 0 | 0 | 0 | 110.7 | Q739 F740 A743 E751 R752 N759 | Q739-I755 HydrophobicContact CB-CD1 4.2Å; Q739-I755 HydrophobicContact CG-CD1 3.77Å; Q739-I755 HydrophobicContact CG-CG1 4.45Å; F740-I755 HydrophobicContact CB-CD1 4.27Å; F740-I755 HydrophobicContact CB-CG2 4.4Å; F740-I755 HydrophobicContact CD2-CB 4.44Å; F740-I755 HydrophobicContact CD2-CD1 4.47Å; F740-I755 HydrophobicContact CD2-CG2 4.16Å; A743-I755 HydrophobicContact CB-CD1 4.49Å; E751-I755 HydrophobicContact CG-CD1 4.08Å; E751-I755 WeakPolarHBondContact O-CB 3.28Å; E751-I755 WeakPolarHBondContact O-CD1 3.45Å; E751-I755 WeakPolarHBondContact O-CG1 3.47Å; E751-I755 PolarHBondContact O-N 2.84Å; R752-I755 PolarHBondContact O-N 2.9Å; I755-N759 WeakPolarHBondContact O-CB 3.21Å; I755-N759 PolarHBondContact O-N 3.38Å; I755-N759 PolarHBondContact O-ND2 2.85Å |
| 756 | L | 91.1 | Very high | 88.9 | Confident | 11 Ų | 11 | 55.3 Ų | 55.3 | 6% | 0.058 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -64.8 | -40.3 | 177.1 | -71 | 172 | 0 | 0 | 0 | 112.2 | F740 R752 V753 K754 N759 K760 L761 L764 A765 T768 | F740-L756 HydrophobicContact CE2-CD1 4.31Å; F740-L756 HydrophobicContact CE2-CD2 4.24Å; F740-L756 HydrophobicContact CE2-CG 4.08Å; R752-L756 WeakPolarHBondContact O-CB 3.28Å; R752-L756 VanDerWaalsContact O-CG 3.23Å; R752-L756 WeakPolarHBondContact O-CG 3.33Å; R752-L756 PolarHBondContact O-N 2.98Å; V753-L756 PolarHBondContact O-N 3.33Å; K754-L756 VanDerWaalsContact C-N 3.3Å; K754-L756 PolarHBondContact O-N 2.98Å; L756-N759 PolarHBondContact O-N 3.14Å; L756-K760 PolarHBondContact O-N 2.84Å; L756-L761 HydrophobicContact CB-CB 4.47Å; L756-L761 HydrophobicContact CD2-CB 4.19Å; L756-L761 HydrophobicContact CD2-CD1 3.82Å; L756-L761 WeakPolarHBondContact O-CA 3.36Å; L756-L761 WeakPolarHBondContact O-CB 3.48Å; L756-L761 PolarHBondContact O-N 2.81Å; L756-L764 HydrophobicContact CD1-CG 4.15Å; L756-L764 HydrophobicContact CD2-CD2 3.87Å; L756-L764 HydrophobicContact CD2-CG 4.29Å; L756-A765 HydrophobicContact CB-CB 3.79Å; L756-T768 WeakPolarHBondContact CD1-OG1 3.39Å |
| 757 | K | 89.5 | Confident | 88.9 | Confident | 79 Ų | 79 | 56.7 Ų | 56.7 | 34% | 0.343 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -65.4 | -47.6 | 175.9 | -174.3 | 173.7 | -176.8 | 150.5 | 0 | 111.8 | V753 K754 N759 K760 L781 E784 | V753-K757 WeakPolarHBondContact O-CB 3.26Å; V753-K757 PolarHBondContact O-N 2.78Å; K754-K757 PolarHBondContact O-N 3.28Å; K754-K757 VanDerWaalsContact O-N 3.13Å; K757-N759 VanDerWaalsContact C-N 3.28Å; K757-N759 PolarHBondContact O-N 3.33Å; K757-K760 WeakPolarHBondContact O-CA 3.38Å; K757-K760 PolarHBondContact O-N 2.69Å; K757-L781 HydrophobicContact CD-CD2 4Å; K757-L781 HydrophobicContact CG-CD2 4.31Å; K757-E784 WeakPolarHBondContact CE-OE1 3.1Å; K757-E784 WeakPolarHBondContact CE-OE2 3.48Å; K757-E784 IonicContact NZ-OE1 2.66Å; K757-E784 PolarHBondContact NZ-OE1 2.81Å; K757-E784 IonicContact NZ-OE2 3.48Å; K757-E784 PolarHBondContact NZ-OE2 3.26Å |
| 758 | E | 89.6 | Confident | 89 | Confident | 119 Ų | 119 | 56.2 Ų | 56.2 | 56% | 0.556 | 27% | 0.268 | S | S | * | . | H | α-helix | trans | -60.4 | -36.1 | 177.5 | -73.2 | 175 | 178.9 | 0 | 0 | 112.2 | K754 K760 | K754-E758 WeakPolarHBondContact CE-OE1 3.4Å; K754-E758 HydrophobicContact CG-CG 4.4Å; K754-E758 WeakPolarHBondContact CG-OE1 3.49Å; K754-E758 WeakPolarHBondContact O-CB 3.4Å; K754-E758 WeakPolarHBondContact O-CG 3.16Å; K754-E758 PolarHBondContact O-N 3.21Å; E758-K760 PolarHBondContact O-N 3.47Å |
| 759 | N | 90.1 | Very high | 89.1 | Confident | 76 Ų | 76 | 53.6 Ų | 53.6 | 41% | 0.406 | 25% | 0.253 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.8 | 12.5 | 174.6 | -72.5 | -87.3 | 0 | 0 | 0 | 113.8 | I755 L756 K757 L761 | I755-N759 WeakPolarHBondContact O-CB 3.21Å; I755-N759 PolarHBondContact O-N 3.38Å; I755-N759 PolarHBondContact O-ND2 2.85Å; L756-N759 PolarHBondContact O-N 3.14Å; K757-N759 VanDerWaalsContact C-N 3.28Å; K757-N759 PolarHBondContact O-N 3.33Å; N759-L761 PolarHBondContact O-N 2.88Å |
| 760 | K | 85.7 | Confident | 89 | Confident | 179 Ų | 179 | 53 Ų | 53 | 78% | 0.778 | 25% | 0.254 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.7 | 23.1 | 179.4 | -53.1 | -175.6 | -179.7 | -176.3 | 0 | 115.1 | L756 K757 E758 T762 | L756-K760 PolarHBondContact O-N 2.84Å; K757-K760 WeakPolarHBondContact O-CA 3.38Å; K757-K760 PolarHBondContact O-N 2.69Å; E758-K760 PolarHBondContact O-N 3.47Å; K760-T762 PolarHBondContact O-N 2.91Å |
| 761 | L | 88.5 | Confident | 88.8 | Confident | 86 Ų | 86 | 46.9 Ų | 46.9 | 45% | 0.45 | 24% | 0.235 | S | C | . | . | trans | -89.6 | 46.9 | 173.6 | -61.9 | 173 | 0 | 0 | 0 | 110.4 | L756 N759 L764 A765 | L756-L761 HydrophobicContact CB-CB 4.47Å; L756-L761 HydrophobicContact CD2-CB 4.19Å; L756-L761 HydrophobicContact CD2-CD1 3.82Å; L756-L761 WeakPolarHBondContact O-CA 3.36Å; L756-L761 WeakPolarHBondContact O-CB 3.48Å; L756-L761 PolarHBondContact O-N 2.81Å; N759-L761 PolarHBondContact O-N 2.88Å; L761-L764 HydrophobicContact CB-CB 4.24Å; L761-L764 CarbonylContact O-C 3.52Å; L761-L764 WeakPolarHBondContact O-CA 3.28Å; L761-L764 PolarHBondContact O-N 3.12Å; L761-A765 PolarHBondContact O-N 3.41Å | ||
| 762 | T | 87.1 | Confident | 88.4 | Confident | 18 Ų | 18 | 47.5 Ų | 47.5 | 11% | 0.11 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -50.5 | -44.3 | -174.9 | -4.9 | 0 | 0 | 0 | 0 | 113.7 | K760 L764 A765 Y766 L781 E784 | K760-T762 PolarHBondContact O-N 2.91Å; T762-L764 VanDerWaalsContact C-N 3.32Å; T762-L764 PolarHBondContact O-N 2.89Å; T762-A765 WeakPolarHBondContact O-CB 3.42Å; T762-A765 PolarHBondContact O-N 3.2Å; T762-Y766 WeakPolarHBondContact O-CB 3.36Å; T762-Y766 PolarHBondContact O-N 2.8Å; T762-L781 HydrophobicContact CG2-CD2 3.75Å; T762-E784 HydrophobicContact CG2-CB 4.36Å |
| 763 | P | 87.5 | Confident | 88.1 | Confident | 46 Ų | 46 | 48.7 Ų | 48.7 | 30% | 0.299 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -62.1 | -34.7 | 175 | -25.1 | 36 | 0 | 0 | 0 | 113.9 | V767 P793 | P763-V767 WeakPolarHBondContact O-CG2 3.33Å; P763-V767 PolarHBondContact O-N 2.97Å; P763-P793 HydrophobicContact CB-CG 3.9Å |
| 764 | L | 88.6 | Confident | 87.9 | Confident | 90 Ų | 90 | 50.1 Ų | 50.1 | 47% | 0.471 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -79.7 | -33.6 | 177.6 | -170.1 | 61.5 | 0 | 0 | 0 | 111.5 | L756 L761 T762 Y766 V767 T768 | L756-L764 HydrophobicContact CD1-CG 4.15Å; L756-L764 HydrophobicContact CD2-CD2 3.87Å; L756-L764 HydrophobicContact CD2-CG 4.29Å; L761-L764 HydrophobicContact CB-CB 4.24Å; L761-L764 CarbonylContact O-C 3.52Å; L761-L764 WeakPolarHBondContact O-CA 3.28Å; L761-L764 PolarHBondContact O-N 3.12Å; T762-L764 VanDerWaalsContact C-N 3.32Å; T762-L764 PolarHBondContact O-N 2.89Å; L764-Y766 VanDerWaalsContact C-N 3.34Å; L764-V767 PolarHBondContact O-N 2.82Å; L764-T768 VanDerWaalsContact O-CB 3.32Å; L764-T768 WeakPolarHBondContact O-CB 3.21Å; L764-T768 PolarHBondContact O-N 2.74Å; L764-T768 PolarHBondContact O-OG1 3.09Å |
| 765 | A | 89.7 | Confident | 87.5 | Confident | 0 Ų | 0 | 52.3 Ų | 52.3 | 0% | 0 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -59.2 | -47.1 | 168.5 | 0 | 0 | 0 | 0 | 0 | 110.2 | V753 L756 L761 T762 T768 A769 L781 | V753-A765 HydrophobicContact CG1-CB 4.2Å; L756-A765 HydrophobicContact CB-CB 3.79Å; L761-A765 PolarHBondContact O-N 3.41Å; T762-A765 WeakPolarHBondContact O-CB 3.42Å; T762-A765 PolarHBondContact O-N 3.2Å; A765-T768 PolarHBondContact O-N 3.08Å; A765-A769 WeakPolarHBondContact O-CB 3.46Å; A765-A769 PolarHBondContact O-N 2.87Å; A765-L781 HydrophobicContact CB-CD1 3.97Å; A765-L781 HydrophobicContact CB-CD2 4.1Å |
| 766 | Y | 89.2 | Confident | 87.3 | Confident | 34 Ų | 34 | 59 Ų | 59 | 13% | 0.133 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -59 | -51.4 | 175.2 | 168.9 | -100.8 | 0 | 0 | 0 | 112.2 | T762 L764 T768 A769 A770 A778 L781 A782 I785 I792 P793 V795 | T762-Y766 WeakPolarHBondContact O-CB 3.36Å; T762-Y766 PolarHBondContact O-N 2.8Å; L764-Y766 VanDerWaalsContact C-N 3.34Å; Y766-T768 VanDerWaalsContact C-N 3.28Å; Y766-T768 PolarHBondContact O-N 2.86Å; Y766-A769 PolarHBondContact O-N 2.83Å; Y766-A770 HydrophobicContact CE2-CB 4.43Å; Y766-A770 VanDerWaalsContact O-CB 3.31Å; Y766-A770 WeakPolarHBondContact O-CB 3.47Å; Y766-A770 PolarHBondContact O-N 3.02Å; Y766-A778 HydrophobicContact CD2-CB 4.21Å; Y766-A778 VanDerWaalsContact CD2-O 3.26Å; Y766-A778 WeakPolarHBondContact CD2-O 3.39Å; Y766-A778 HydrophobicContact CE2-CB 4.16Å; Y766-A778 WeakPolarHBondContact CE2-O 3.37Å; Y766-L781 HydrophobicContact CD2-CB 4.37Å; Y766-A782 HydrophobicContact CD2-CB 4.14Å; Y766-A782 HydrophobicContact CE2-CB 3.87Å; Y766-I785 HydrophobicContact CD1-CD1 4.36Å; Y766-I785 HydrophobicContact CG-CD1 3.89Å; Y766-I792 HydrophobicContact CD1-CG2 4.3Å; Y766-I792 HydrophobicContact CE1-CG2 3.48Å; Y766-I792 VanDerWaalsContact CE1-CG2 3.48Å; Y766-I792 HydrophobicContact CE2-CG2 4.37Å; Y766-I792 WeakPolarHBondContact OH-CG2 3.4Å; Y766-P793 HydrophobicContact CD1-CG 4.25Å; Y766-V795 HydrophobicContact CE1-CG2 3.84Å |
| 767 | V | 88.2 | Confident | 87 | Confident | 41 Ų | 41 | 61.5 Ų | 61.5 | 25% | 0.248 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -61.1 | -38.6 | 177.7 | 171.6 | 0 | 0 | 0 | 0 | 111.3 | P763 L764 V771 P793 | P763-V767 WeakPolarHBondContact O-CG2 3.33Å; P763-V767 PolarHBondContact O-N 2.97Å; L764-V767 PolarHBondContact O-N 2.82Å; V767-V771 HydrophobicContact CG1-CG2 4.05Å; V767-V771 VanDerWaalsContact O-CB 3.29Å; V767-V771 WeakPolarHBondContact O-CB 3.49Å; V767-V771 WeakPolarHBondContact O-CG2 3.44Å; V767-V771 PolarHBondContact O-N 2.8Å; V767-P793 HydrophobicContact CG2-CB 3.65Å; V767-P793 HydrophobicContact CG2-CG 4.09Å |
| 768 | T | 87.1 | Confident | 86.8 | Confident | 12 Ų | 12 | 58.1 Ų | 58.1 | 7% | 0.074 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -66.5 | -42.4 | 176.7 | -53.8 | 0 | 0 | 0 | 0 | 111.5 | I749 V753 L756 L764 A765 Y766 H772 | I749-T768 HydrophobicContact CG2-CG2 4.46Å; V753-T768 HydrophobicContact CG2-CG2 3.96Å; L756-T768 WeakPolarHBondContact CD1-OG1 3.39Å; L764-T768 VanDerWaalsContact O-CB 3.32Å; L764-T768 WeakPolarHBondContact O-CB 3.21Å; L764-T768 PolarHBondContact O-N 2.74Å; L764-T768 PolarHBondContact O-OG1 3.09Å; A765-T768 PolarHBondContact O-N 3.08Å; Y766-T768 VanDerWaalsContact C-N 3.28Å; Y766-T768 PolarHBondContact O-N 2.86Å; T768-H772 VanDerWaalsContact O-CB 3.27Å; T768-H772 WeakPolarHBondContact O-CB 3.39Å; T768-H772 PolarHBondContact O-N 2.77Å; T768-H772 PolarHBondContact O-ND1 3.38Å |
| 769 | A | 88.3 | Confident | 86.7 | Confident | 0 Ų | 0 | 56.3 Ų | 56.3 | 0% | 0 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -65.1 | -48.1 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | V753 A765 Y766 H772 G773 L774 E777 A778 L781 | V753-A769 HydrophobicContact CG1-CB 4.5Å; V753-A769 HydrophobicContact CG2-CB 4.18Å; A765-A769 WeakPolarHBondContact O-CB 3.46Å; A765-A769 PolarHBondContact O-N 2.87Å; Y766-A769 PolarHBondContact O-N 2.83Å; A769-H772 CarbonylContact O-C 3.54Å; A769-H772 PolarHBondContact O-N 2.94Å; A769-G773 PolarHBondContact O-N 3.39Å; A769-G773 VanDerWaalsContact O-N 3.09Å; A769-L774 HydrophobicContact CB-CB 4.06Å; A769-L774 PolarHBondContact O-N 2.8Å; A769-E777 HydrophobicContact CB-CB 4.36Å; A769-A778 HydrophobicContact CB-CB 3.98Å; A769-L781 HydrophobicContact CB-CD1 4.21Å |
| 770 | A | 86.2 | Confident | 86.6 | Confident | 25 Ų | 25 | 55.4 Ų | 55.4 | 21% | 0.207 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -69.9 | -38.5 | -176.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | Y766 H772 A778 V795 | Y766-A770 HydrophobicContact CE2-CB 4.43Å; Y766-A770 VanDerWaalsContact O-CB 3.31Å; Y766-A770 WeakPolarHBondContact O-CB 3.47Å; Y766-A770 PolarHBondContact O-N 3.02Å; A770-H772 PolarHBondContact O-N 2.81Å; A770-A778 HydrophobicContact CB-CB 4.14Å; A770-V795 HydrophobicContact CB-CG1 4.15Å; A770-V795 HydrophobicContact CB-CG2 3.77Å |
| 771 | V | 85.7 | Confident | 86.7 | Confident | 36 Ų | 36 | 47 Ų | 47 | 22% | 0.218 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -69.3 | -24.9 | 175.2 | 173.5 | 0 | 0 | 0 | 0 | 111.7 | V767 V795 | V767-V771 HydrophobicContact CG1-CG2 4.05Å; V767-V771 VanDerWaalsContact O-CB 3.29Å; V767-V771 WeakPolarHBondContact O-CB 3.49Å; V767-V771 WeakPolarHBondContact O-CG2 3.44Å; V767-V771 PolarHBondContact O-N 2.8Å; V771-V795 HydrophobicContact CG2-CG1 3.78Å |
| 772 | H | 82.4 | Confident | 86.6 | Confident | 43 Ų | 43 | 43.7 Ų | 43.7 | 20% | 0.199 | 26% | 0.263 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -104.9 | 9.6 | -176.4 | -65.6 | 50 | 0 | 0 | 0 | 113.8 | I749 T768 A769 A770 | I749-H772 HydrophobicContact CD1-CB 4.19Å; I749-H772 HydrophobicContact CG2-CB 3.74Å; T768-H772 VanDerWaalsContact O-CB 3.27Å; T768-H772 WeakPolarHBondContact O-CB 3.39Å; T768-H772 PolarHBondContact O-N 2.77Å; T768-H772 PolarHBondContact O-ND1 3.38Å; A769-H772 CarbonylContact O-C 3.54Å; A769-H772 PolarHBondContact O-N 2.94Å; A770-H772 PolarHBondContact O-N 2.81Å |
| 773 | G | 83 | Confident | 86.5 | Confident | 52 Ų | 52 | 45.2 Ų | 45.2 | 54% | 0.536 | 28% | 0.275 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 75.1 | 25.3 | 173.1 | 0 | 0 | 0 | 0 | 0 | 115.9 | A769 D775 | A769-G773 PolarHBondContact O-N 3.39Å; A769-G773 VanDerWaalsContact O-N 3.09Å; G773-D775 PolarHBondContact O-N 3.44Å |
| 774 | L | 85.3 | Confident | 86.4 | Confident | 33 Ų | 33 | 46.2 Ų | 46.2 | 17% | 0.173 | 28% | 0.275 | C | S | . | . | trans | -91.5 | 67.3 | 173.6 | -67.6 | 173.9 | 0 | 0 | 0 | 110.2 | I749 R750 V753 A769 D776 E777 A778 | I749-L774 HydrophobicContact CB-CD1 4.4Å; I749-L774 HydrophobicContact CG2-CD1 3.73Å; R750-L774 HydrophobicContact CG-CD1 4.09Å; R750-L774 HydrophobicContact CG-CD2 4.42Å; V753-L774 HydrophobicContact CG2-CD1 4.39Å; A769-L774 HydrophobicContact CB-CB 4.06Å; A769-L774 PolarHBondContact O-N 2.8Å; L774-D776 VanDerWaalsContact C-N 3.32Å; L774-D776 PolarHBondContact O-N 2.85Å; L774-E777 HydrophobicContact CB-CB 4.34Å; L774-E777 PolarHBondContact O-N 2.88Å; L774-A778 WeakPolarHBondContact O-CB 3.5Å; L774-A778 PolarHBondContact O-N 3.49Å | ||
| 775 | D | 83.2 | Confident | 86.2 | Confident | 113 Ų | 113 | 41.9 Ų | 41.9 | 60% | 0.604 | 25% | 0.253 | S | S | * | . | H | α-helix | trans | -60.5 | -35 | -169.3 | -64.8 | -26.6 | 0 | 0 | 0 | 114.1 | G773 S779 | G773-D775 PolarHBondContact O-N 3.44Å; D775-S779 VanDerWaalsContact O-CB 3.29Å; D775-S779 WeakPolarHBondContact O-CB 3.45Å; D775-S779 PolarHBondContact O-N 2.82Å; D775-S779 PolarHBondContact O-OG 2.8Å |
| 776 | D | 86.7 | Confident | 86 | Confident | 147 Ų | 147 | 48 Ų | 48 | 79% | 0.786 | 28% | 0.281 | S | S | * | . | H | α-helix | trans | -66.5 | -47.8 | 177 | -64.1 | -36.4 | 0 | 0 | 0 | 111.9 | L774 S779 S780 | L774-D776 VanDerWaalsContact C-N 3.32Å; L774-D776 PolarHBondContact O-N 2.85Å; D776-S779 PolarHBondContact O-N 3.18Å; D776-S780 WeakPolarHBondContact O-CB 3.21Å; D776-S780 PolarHBondContact O-N 2.97Å |
| 777 | E | 85.3 | Confident | 85.7 | Confident | 63 Ų | 63 | 53.3 Ų | 53.3 | 29% | 0.294 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -67.9 | -39.7 | 176.1 | -72.8 | -174.4 | -165 | 0 | 0 | 110.7 | V753 A769 L774 S779 S780 L781 | V753-E777 VanDerWaalsContact CG1-OE2 3.3Å; V753-E777 WeakPolarHBondContact CG1-OE2 3.24Å; A769-E777 HydrophobicContact CB-CB 4.36Å; L774-E777 HydrophobicContact CB-CB 4.34Å; L774-E777 PolarHBondContact O-N 2.88Å; E777-S779 VanDerWaalsContact C-N 3.34Å; E777-S779 PolarHBondContact O-N 3.38Å; E777-S780 PolarHBondContact O-N 2.88Å; E777-L781 VanDerWaalsContact O-CB 3.29Å; E777-L781 WeakPolarHBondContact O-CB 3.27Å; E777-L781 WeakPolarHBondContact O-CD1 3.02Å; E777-L781 WeakPolarHBondContact O-CG 3.02Å; E777-L781 PolarHBondContact O-N 3.4Å |
| 778 | A | 86.3 | Confident | 85.4 | Confident | 7 Ų | 7 | 56.6 Ų | 56.6 | 6% | 0.058 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -61.4 | -41.2 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | Y766 A769 A770 L774 L781 A782 | Y766-A778 HydrophobicContact CD2-CB 4.21Å; Y766-A778 VanDerWaalsContact CD2-O 3.26Å; Y766-A778 WeakPolarHBondContact CD2-O 3.39Å; Y766-A778 HydrophobicContact CE2-CB 4.16Å; Y766-A778 WeakPolarHBondContact CE2-O 3.37Å; A769-A778 HydrophobicContact CB-CB 3.98Å; A770-A778 HydrophobicContact CB-CB 4.14Å; L774-A778 WeakPolarHBondContact O-CB 3.5Å; L774-A778 PolarHBondContact O-N 3.49Å; A778-L781 PolarHBondContact O-N 3.01Å; A778-A782 VanDerWaalsContact O-CB 3.27Å; A778-A782 WeakPolarHBondContact O-CB 3.12Å; A778-A782 PolarHBondContact O-N 3.09Å |
| 779 | S | 86.7 | Confident | 84.9 | Confident | 81 Ų | 81 | 59.3 Ų | 59.3 | 57% | 0.566 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -66.6 | -42.9 | 176.2 | -60.6 | 0 | 0 | 0 | 0 | 112 | D775 D776 E777 A782 S783 | D775-S779 VanDerWaalsContact O-CB 3.29Å; D775-S779 WeakPolarHBondContact O-CB 3.45Å; D775-S779 PolarHBondContact O-N 2.82Å; D775-S779 PolarHBondContact O-OG 2.8Å; D776-S779 PolarHBondContact O-N 3.18Å; E777-S779 VanDerWaalsContact C-N 3.34Å; E777-S779 PolarHBondContact O-N 3.38Å; S779-A782 PolarHBondContact O-N 3.11Å; S779-S783 PolarHBondContact O-N 2.76Å |
| 780 | S | 88.8 | Confident | 84.4 | Confident | 57 Ų | 57 | 63.3 Ų | 63.3 | 40% | 0.399 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -59.4 | -48.9 | 173.7 | -176.4 | 0 | 0 | 0 | 0 | 111.4 | D776 E777 A782 S783 E784 | D776-S780 WeakPolarHBondContact O-CB 3.21Å; D776-S780 PolarHBondContact O-N 2.97Å; E777-S780 PolarHBondContact O-N 2.88Å; S780-A782 PolarHBondContact O-N 3.1Å; S780-S783 PolarHBondContact O-N 3.31Å; S780-S783 PolarHBondContact O-OG 3.45Å; S780-E784 PolarHBondContact O-N 3.32Å |
| 781 | L | 86.8 | Confident | 84.1 | Confident | 4 Ų | 4 | 67.4 Ų | 67.4 | 2% | 0.021 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -66.7 | -35.5 | 178.8 | -69.4 | 162.8 | 0 | 0 | 0 | 112.5 | V753 K757 T762 A765 Y766 A769 E777 A778 E784 I785 | V753-L781 HydrophobicContact CG1-CD1 3.78Å; K757-L781 HydrophobicContact CD-CD2 4Å; K757-L781 HydrophobicContact CG-CD2 4.31Å; T762-L781 HydrophobicContact CG2-CD2 3.75Å; A765-L781 HydrophobicContact CB-CD1 3.97Å; A765-L781 HydrophobicContact CB-CD2 4.1Å; Y766-L781 HydrophobicContact CD2-CB 4.37Å; A769-L781 HydrophobicContact CB-CD1 4.21Å; E777-L781 VanDerWaalsContact O-CB 3.29Å; E777-L781 WeakPolarHBondContact O-CB 3.27Å; E777-L781 WeakPolarHBondContact O-CD1 3.02Å; E777-L781 WeakPolarHBondContact O-CG 3.02Å; E777-L781 PolarHBondContact O-N 3.4Å; A778-L781 PolarHBondContact O-N 3.01Å; L781-E784 PolarHBondContact O-N 3.18Å; L781-I785 WeakPolarHBondContact O-CB 3.43Å; L781-I785 WeakPolarHBondContact O-CD1 3.43Å; L781-I785 WeakPolarHBondContact O-CG1 3.36Å; L781-I785 PolarHBondContact O-N 3.12Å |
| 782 | A | 85.5 | Confident | 83.8 | Confident | 15 Ų | 15 | 68.6 Ų | 68.6 | 12% | 0.124 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -61.1 | -45 | 172.4 | 0 | 0 | 0 | 0 | 0 | 111 | Y766 A778 S779 S780 E784 I785 E786 I792 | Y766-A782 HydrophobicContact CD2-CB 4.14Å; Y766-A782 HydrophobicContact CE2-CB 3.87Å; A778-A782 VanDerWaalsContact O-CB 3.27Å; A778-A782 WeakPolarHBondContact O-CB 3.12Å; A778-A782 PolarHBondContact O-N 3.09Å; S779-A782 PolarHBondContact O-N 3.11Å; S780-A782 PolarHBondContact O-N 3.1Å; A782-E784 VanDerWaalsContact C-N 3.33Å; A782-E784 PolarHBondContact O-N 2.92Å; A782-I785 WeakPolarHBondContact O-CB 3.41Å; A782-I785 PolarHBondContact O-N 2.87Å; A782-I785 VanDerWaalsContact O-N 3.13Å; A782-E786 PolarHBondContact O-N 3.42Å; A782-I792 HydrophobicContact CB-CD1 4.36Å |
| 783 | S | 85.9 | Confident | 83.7 | Confident | 51 Ų | 51 | 68.4 Ų | 68.4 | 36% | 0.357 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -64.6 | -34.6 | 176 | 78.4 | 0 | 0 | 0 | 0 | 113 | S779 S780 N787 | S779-S783 PolarHBondContact O-N 2.76Å; S780-S783 PolarHBondContact O-N 3.31Å; S780-S783 PolarHBondContact O-OG 3.45Å; S783-N787 VanDerWaalsContact O-CB 3.31Å; S783-N787 WeakPolarHBondContact O-CB 3.34Å; S783-N787 VanDerWaalsContact O-CG 3.24Å; S783-N787 PolarHBondContact O-N 2.89Å; S783-N787 PolarHBondContact O-ND2 3.37Å |
| 784 | E | 85.3 | Confident | 83.5 | Confident | 66 Ų | 66 | 74 Ų | 74 | 31% | 0.308 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -67.1 | -37.3 | 171.3 | -77.8 | 179.7 | 172.1 | 0 | 0 | 112.4 | K757 T762 S780 L781 A782 L788 | K757-E784 WeakPolarHBondContact CE-OE1 3.1Å; K757-E784 WeakPolarHBondContact CE-OE2 3.48Å; K757-E784 IonicContact NZ-OE1 2.66Å; K757-E784 PolarHBondContact NZ-OE1 2.81Å; K757-E784 IonicContact NZ-OE2 3.48Å; K757-E784 PolarHBondContact NZ-OE2 3.26Å; T762-E784 HydrophobicContact CG2-CB 4.36Å; S780-E784 PolarHBondContact O-N 3.32Å; L781-E784 PolarHBondContact O-N 3.18Å; A782-E784 VanDerWaalsContact C-N 3.33Å; A782-E784 PolarHBondContact O-N 2.92Å; E784-L788 WeakPolarHBondContact O-CB 3.44Å; E784-L788 WeakPolarHBondContact O-CD1 3.2Å; E784-L788 VanDerWaalsContact O-CG 3.25Å; E784-L788 WeakPolarHBondContact O-CG 3.18Å; E784-L788 PolarHBondContact O-N 2.34Å; E784-L788 VanDerWaalsContact O-N 3.11Å |
| 785 | I | 85.5 | Confident | 83.1 | Confident | 0 Ų | 0 | 74.7 Ų | 74.7 | 0% | 0 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -68.1 | -43.6 | 177.3 | -72 | 163.6 | 0 | 0 | 0 | 111.2 | Y766 L781 A782 L788 G789 L790 I792 | Y766-I785 HydrophobicContact CD1-CD1 4.36Å; Y766-I785 HydrophobicContact CG-CD1 3.89Å; L781-I785 WeakPolarHBondContact O-CB 3.43Å; L781-I785 WeakPolarHBondContact O-CD1 3.43Å; L781-I785 WeakPolarHBondContact O-CG1 3.36Å; L781-I785 PolarHBondContact O-N 3.12Å; A782-I785 WeakPolarHBondContact O-CB 3.41Å; A782-I785 PolarHBondContact O-N 2.87Å; A782-I785 VanDerWaalsContact O-N 3.13Å; I785-L788 PolarHBondContact O-N 3.01Å; I785-G789 PolarHBondContact O-N 3.01Å; I785-L790 HydrophobicContact CG2-CB 3.93Å; I785-L790 WeakPolarHBondContact CG2-O 3.38Å; I785-L790 PolarHBondContact O-N 3.23Å; I785-L790 VanDerWaalsContact O-N 3.1Å; I785-I792 HydrophobicContact CG2-CG1 4.23Å |
| 786 | E | 84.1 | Confident | 82.8 | Confident | 129 Ų | 129 | 74.2 Ų | 74.2 | 60% | 0.603 | 43% | 0.431 | S | S | * | . | H | α-helix | trans | -64.1 | -43.6 | 174.6 | -72.5 | -172.6 | 148.2 | 0 | 0 | 111.9 | A782 L788 G789 I792 | A782-E786 PolarHBondContact O-N 3.42Å; E786-L788 PolarHBondContact O-N 3.36Å; E786-G789 PolarHBondContact O-N 3.31Å; E786-I792 HydrophobicContact CG-CD1 3.95Å; E786-I792 HydrophobicContact CG-CG1 4.23Å |
| 787 | N | 83.6 | Confident | 81.9 | Confident | 144 Ų | 144 | 78.7 Ų | 78.7 | 77% | 0.77 | 44% | 0.437 | S | S | * | . | H | α-helix | trans | -63.2 | -23.5 | 174.9 | -77.8 | -44.7 | 0 | 0 | 0 | 113.3 | S783 G789 | S783-N787 VanDerWaalsContact O-CB 3.31Å; S783-N787 WeakPolarHBondContact O-CB 3.34Å; S783-N787 VanDerWaalsContact O-CG 3.24Å; S783-N787 PolarHBondContact O-N 2.89Å; S783-N787 PolarHBondContact O-ND2 3.37Å; N787-G789 VanDerWaalsContact C-N 3.33Å |
| 788 | L | 82.2 | Confident | 81.4 | Confident | 110 Ų | 110 | 82.5 Ų | 82.5 | 58% | 0.576 | 46% | 0.459 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.8 | -2.4 | 172.2 | -73.8 | 166.3 | 0 | 0 | 0 | 113.5 | E784 I785 E786 L790 | E784-L788 WeakPolarHBondContact O-CB 3.44Å; E784-L788 WeakPolarHBondContact O-CD1 3.2Å; E784-L788 VanDerWaalsContact O-CG 3.25Å; E784-L788 WeakPolarHBondContact O-CG 3.18Å; E784-L788 PolarHBondContact O-N 2.34Å; E784-L788 VanDerWaalsContact O-N 3.11Å; I785-L788 PolarHBondContact O-N 3.01Å; E786-L788 PolarHBondContact O-N 3.36Å; L788-L790 HydrophobicContact CB-CD1 4.13Å; L788-L790 HydrophobicContact CB-CG 4.26Å; L788-L790 PolarHBondContact O-N 2.92Å |
| 789 | G | 76.8 | Confident | 80.4 | Confident | 69 Ų | 69 | 83.6 Ų | 83.6 | 71% | 0.711 | 47% | 0.471 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 68.4 | 20.4 | -177 | 0 | 0 | 0 | 0 | 0 | 113.9 | I785 E786 N787 | I785-G789 PolarHBondContact O-N 3.01Å; E786-G789 PolarHBondContact O-N 3.31Å; N787-G789 VanDerWaalsContact C-N 3.33Å |
| 790 | L | 77.9 | Confident | 79.5 | Confident | 84 Ų | 84 | 83.5 Ų | 83.5 | 44% | 0.44 | 48% | 0.475 | S | S | . | . | P | Polyproline II helix | trans | -94.9 | 142.9 | -180 | -70.9 | 171.3 | 0 | 0 | 0 | 110.5 | I785 L788 | I785-L790 HydrophobicContact CG2-CB 3.93Å; I785-L790 WeakPolarHBondContact CG2-O 3.38Å; I785-L790 PolarHBondContact O-N 3.23Å; I785-L790 VanDerWaalsContact O-N 3.1Å; L788-L790 HydrophobicContact CB-CD1 4.13Å; L788-L790 HydrophobicContact CB-CG 4.26Å; L788-L790 PolarHBondContact O-N 2.92Å |
| 791 | P | 78.7 | Confident | 78.4 | Confident | 111 Ų | 111 | 85.2 Ų | 85.2 | 72% | 0.721 | 48% | 0.48 | S | S | * | . | P | Polyproline II helix | trans | -68.5 | 134.4 | 174.7 | 28.6 | -33.8 | 0 | 0 | 0 | 110.6 | P793 | P791-P793 WeakPolarHBondContact O-CD 3.28Š|
| 792 | I | 80.7 | Confident | 77.4 | Confident | 62 Ų | 62 | 91.9 Ų | 91.9 | 32% | 0.318 | 52% | 0.515 | S | S | . | . | P | Polyproline II helix | trans | -62.9 | 125.2 | 174.9 | -59 | 174.1 | 0 | 0 | 0 | 108.9 | Y766 A782 I785 E786 | Y766-I792 HydrophobicContact CD1-CG2 4.3Å; Y766-I792 HydrophobicContact CE1-CG2 3.48Å; Y766-I792 VanDerWaalsContact CE1-CG2 3.48Å; Y766-I792 HydrophobicContact CE2-CG2 4.37Å; Y766-I792 WeakPolarHBondContact OH-CG2 3.4Å; A782-I792 HydrophobicContact CB-CD1 4.36Å; I785-I792 HydrophobicContact CG2-CG1 4.23Å; E786-I792 HydrophobicContact CG-CD1 3.95Å; E786-I792 HydrophobicContact CG-CG1 4.23Å |
| 793 | P | 79.5 | Confident | 76.7 | Confident | 39 Ų | 39 | 95.9 Ų | 95.9 | 25% | 0.253 | 53% | 0.533 | S | S | . | . | P | Polyproline II helix | trans | -62.7 | 137.9 | 178.3 | -23.1 | 33 | 0 | 0 | 0 | 112.7 | P763 Y766 V767 P791 V795 | P763-P793 HydrophobicContact CB-CG 3.9Å; Y766-P793 HydrophobicContact CD1-CG 4.25Å; V767-P793 HydrophobicContact CG2-CB 3.65Å; V767-P793 HydrophobicContact CG2-CG 4.09Å; P791-P793 WeakPolarHBondContact O-CD 3.28Å; P793-V795 PolarHBondContact O-N 3.41Å |
| 794 | N | 79.3 | Confident | 75.8 | Confident | 169 Ų | 169 | 95.8 Ų | 95.8 | 90% | 0.904 | 53% | 0.531 | S | S | * | . | P | Polyproline II helix | trans | -64.5 | 121.2 | 171.4 | -75.5 | -22.1 | 0 | 0 | 0 | 110.4 | ||
| 795 | V | 76.5 | Confident | 75.2 | Confident | 47 Ų | 47 | 98.2 Ų | 98.2 | 29% | 0.285 | 55% | 0.552 | S | S | . | * | P | Polyproline II helix | trans | -83.8 | 124.3 | 177.3 | -175.6 | 0 | 0 | 0 | 0 | 109.1 | Y766 A770 V771 P793 R797 | Y766-V795 HydrophobicContact CE1-CG2 3.84Å; A770-V795 HydrophobicContact CB-CG1 4.15Å; A770-V795 HydrophobicContact CB-CG2 3.77Å; V771-V795 HydrophobicContact CG2-CG1 3.78Å; P793-V795 PolarHBondContact O-N 3.41Å; V795-R797 PolarHBondContact O-N 3.23Å |
| 796 | N | 76.3 | Confident | 74.5 | Confident | 103 Ų | 103 | 102.6 Ų | 102.6 | 55% | 0.551 | 58% | 0.581 | S | S | * | * | trans | -73.2 | 111.5 | 173.1 | -175.8 | 8.9 | 0 | 0 | 0 | 109.8 | D798 G799 | N796-D798 PolarHBondContact O-N 2.88Å; N796-D798 PolarHBondContact OD1-N 3.13Å; N796-G799 PolarHBondContact O-N 2.83Å; N796-G799 VanDerWaalsContact O-N 3.14Å | ||
| 797 | R | 67.6 | Low | 73.9 | Confident | 241 Ų | 241 | 99.3 Ų | 99.3 | 91% | 0.909 | 57% | 0.571 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.6 | -17.7 | 178.6 | -71.3 | -174.5 | 172.4 | -172.4 | -3.4 | 113.8 | V795 G799 | V795-R797 PolarHBondContact O-N 3.23Å; R797-G799 PolarHBondContact O-N 2.82Å |
| 798 | D | 74.5 | Confident | 73.3 | Confident | 143 Ų | 143 | 100.1 Ų | 100.1 | 77% | 0.765 | 58% | 0.581 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.4 | 10 | 173.8 | -56.6 | -26.3 | 0 | 0 | 0 | 112.3 | N796 A800 | N796-D798 PolarHBondContact O-N 2.88Å; N796-D798 PolarHBondContact OD1-N 3.13Å; D798-A800 PolarHBondContact O-N 2.74Å |
| 799 | G | 65.1 | Low | 72.8 | Confident | 31 Ų | 31 | 97.4 Ų | 97.4 | 32% | 0.32 | 58% | 0.579 | S | S | . | * | trans | -65.9 | 96.8 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | N796 R797 | N796-G799 PolarHBondContact O-N 2.83Å; N796-G799 VanDerWaalsContact O-N 3.14Å; R797-G799 PolarHBondContact O-N 2.82Å | ||
| 800 | A | 67.9 | Low | 72.6 | Confident | 78 Ų | 78 | 97.1 Ų | 97.1 | 65% | 0.645 | 56% | 0.561 | S | S | * | * | trans | -66.1 | 137.5 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | D798 L802 | D798-A800 PolarHBondContact O-N 2.74Å; A800-L802 PolarHBondContact O-N 3.33Å | ||
| 801 | L | 65.8 | Low | 72.3 | Confident | 94 Ų | 94 | 95.2 Ų | 95.2 | 49% | 0.492 | 55% | 0.554 | S | S | . | * | trans | -75.9 | 84.1 | -173.9 | -144.1 | 152.9 | 0 | 0 | 0 | 110.9 | I803 | L801-I803 HydrophobicContact CD2-CD1 3.68Å; L801-I803 HydrophobicContact CD2-CG1 3.42Å; L801-I803 VanDerWaalsContact CD2-CG1 3.42Å; L801-I803 PolarHBondContact O-N 3.21Å | ||
| 802 | L | 66.9 | Low | 72 | Confident | 144 Ų | 144 | 97.6 Ų | 97.6 | 75% | 0.754 | 55% | 0.553 | S | S | * | * | trans | -73.1 | 87.3 | 178.8 | -84.5 | 163.9 | 0 | 0 | 0 | 111.5 | A800 | A800-L802 PolarHBondContact O-N 3.33Š| ||
| 803 | I | 69.9 | Low | 71.8 | Confident | 99 Ų | 99 | 100.5 Ų | 100.5 | 51% | 0.508 | 57% | 0.569 | S | S | . | * | P | Polyproline II helix | trans | -91.5 | 136.4 | 163.4 | -42.9 | -177.5 | 0 | 0 | 0 | 108.1 | L801 | L801-I803 HydrophobicContact CD2-CD1 3.68Å; L801-I803 HydrophobicContact CD2-CG1 3.42Å; L801-I803 VanDerWaalsContact CD2-CG1 3.42Å; L801-I803 PolarHBondContact O-N 3.21Å |
| 804 | P | 68.1 | Low | 71.6 | Confident | 49 Ų | 49 | 100.4 Ų | 100.4 | 32% | 0.318 | 57% | 0.567 | S | S | . | * | P | Polyproline II helix | trans | -57.2 | 137.4 | 165 | 25.8 | -35 | 0 | 0 | 0 | 109.8 | L744 | L744-P804 WeakPolarHBondContact O-CG 3.39Š|
| 805 | P | 72.3 | Confident | 71 | Confident | 117 Ų | 117 | 101.7 Ų | 101.7 | 76% | 0.76 | 56% | 0.559 | S | S | * | * | P | Polyproline II helix | trans | -58.7 | 130.4 | -179.2 | 23.8 | -33.2 | 0 | 0 | 0 | 109.9 | ||
| 806 | P | 71.2 | Confident | 70.7 | Confident | 91 Ų | 91 | 103.9 Ų | 103.9 | 59% | 0.591 | 57% | 0.574 | S | S | * | * | P | Polyproline II helix | trans | -62.1 | 136.6 | 179.3 | 25.4 | -33.4 | 0 | 0 | 0 | 109.6 | V808 | P806-V808 PolarHBondContact O-N 3.49Š|
| 807 | P | 70.5 | Confident | 70.5 | Confident | 61 Ų | 61 | 103.1 Ų | 103.1 | 40% | 0.396 | 57% | 0.57 | S | S | . | * | P | Polyproline II helix | trans | -62.3 | 132.4 | 178.5 | 25.2 | -33.3 | 0 | 0 | 0 | 110.1 | R720 G809 | R720-P807 HydrophobicContact CG-CG 4.43Å; P807-G809 PolarHBondContact O-N 2.85Å; P807-G809 VanDerWaalsContact O-N 3.17Å |
| 808 | V | 70.9 | Confident | 70.4 | Confident | 161 Ų | 161 | 94 Ų | 94 | 98% | 0.976 | 54% | 0.539 | S | S | * | . | S | Bend | trans | -61 | -26.5 | -176.1 | -175.4 | 0 | 0 | 0 | 0 | 112.2 | P806 | P806-V808 PolarHBondContact O-N 3.49Š|
| 809 | G | 71.5 | Confident | 69.8 | Low | 53 Ų | 53 | 91.7 Ų | 91.7 | 55% | 0.546 | 53% | 0.534 | S | S | . | . | S | Bend | trans | -163.4 | 162.6 | 172.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | P807 | P807-G809 PolarHBondContact O-N 2.85Å; P807-G809 VanDerWaalsContact O-N 3.17Å |
| 810 | N | 73.1 | Confident | 69.3 | Low | 63 Ų | 63 | 93 Ų | 93 | 34% | 0.337 | 54% | 0.535 | S | S | . | . | trans | -89 | 119.7 | 173 | -174.7 | 0.2 | 0 | 0 | 0 | 108.9 | T717 N719 K812 | T717-N810 WeakPolarHBondContact O-CA 3.1Å; T717-N810 PolarHBondContact O-OD1 3.37Å; N719-N810 WeakPolarHBondContact CB-OD1 3.46Å; N719-N810 PolarHBondContact ND2-ND2 2.95Å; N719-N810 PolarHBondContact ND2-OD1 2.9Å; N810-K812 PolarHBondContact O-N 3.35Å | ||
| 811 | C | 71.8 | Confident | 68.5 | Low | 43 Ų | 43 | 92 Ų | 92 | 29% | 0.291 | 52% | 0.523 | S | S | . | . | trans | -78 | 84 | -175.7 | -142.3 | 0 | 0 | 0 | 0 | 110.4 | H694 T717 | H694-C811 PolarHBondContact CE1-O 2.78Å; H694-C811 PolarHBondContact NE2-O 2.89Å; T717-C811 HydrophobicContact CG2-CB 4.44Å; T717-C811 PolarHBondContact O-N 2.89Å | ||
| 812 | K | 73.3 | Confident | 67.8 | Low | 162 Ų | 162 | 97.3 Ų | 97.3 | 70% | 0.704 | 54% | 0.537 | S | S | * | . | trans | -69.6 | -43.3 | -179.9 | -66.4 | -174.6 | 179.3 | -179.7 | 0 | 112.2 | Q695 N810 | Q695-K812 PolarHBondContact NE2-O 3.17Å; N810-K812 PolarHBondContact O-N 3.35Å | ||
| 813 | D | 76.7 | Confident | 67 | Low | 122 Ų | 122 | 91.2 Ų | 91.2 | 65% | 0.652 | 51% | 0.509 | S | S | * | . | S | Bend | trans | -86.1 | 154.3 | -177.5 | -56.5 | -48.6 | 0 | 0 | 0 | 112 | H694 W815 | H694-D813 PolarHBondContact NE2-O 2.93Å; D813-W815 VanDerWaalsContact C-N 3.26Å; D813-W815 PolarHBondContact O-N 2.98Å |
| 814 | N | 75.1 | Confident | 66 | Low | 37 Ų | 37 | 92.7 Ų | 92.7 | 20% | 0.198 | 52% | 0.517 | C | S | . | . | trans | -67.9 | 85.3 | 171.3 | -66.6 | -58.2 | 0 | 0 | 0 | 109.8 | N693 H694 Q695 L817 | N693-N814 PolarHBondContact OD1-ND2 3.47Å; N693-N814 PolarHBondContact OD1-OD1 2.85Å; H694-N814 PolarHBondContact N-OD1 3.12Å; Q695-N814 WeakPolarHBondContact CB-OD1 3.29Å; Q695-N814 VanDerWaalsContact CD-ND2 3.27Å; Q695-N814 WeakPolarHBondContact CG-OD1 3.45Å; Q695-N814 PolarHBondContact N-OD1 3.04Å; Q695-N814 PolarHBondContact OE1-ND2 3.46Å; N814-L817 HydrophobicContact CB-CD1 3.84Å; N814-L817 WeakPolarHBondContact O-CB 3.01Å; N814-L817 PolarHBondContact O-N 2.85Å | ||
| 815 | W | 66.8 | Low | 65.2 | Low | 197 Ų | 197 | 91.9 Ų | 91.9 | 75% | 0.746 | 51% | 0.509 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -136 | 132.6 | 178.1 | -170.2 | 90.1 | 0 | 0 | 0 | 111.1 | D813 | D813-W815 VanDerWaalsContact C-N 3.26Å; D813-W815 PolarHBondContact O-N 2.98Å |
| 816 | P | 69.4 | Low | 64.1 | Low | 92 Ų | 92 | 90.9 Ų | 90.9 | 60% | 0.597 | 49% | 0.494 | S | S | * | . | T | Hydrogen-bonded Turn | cis | -77.5 | 121.4 | -5 | 30.8 | -33.6 | 0 | 0 | 0 | 112.4 | ||
| 817 | L | 72.4 | Confident | 62.7 | Low | 87 Ų | 87 | 90.3 Ų | 90.3 | 46% | 0.455 | 51% | 0.505 | S | S | . | . | P | Polyproline II helix | trans | -83.6 | 131.2 | 167.3 | -162.2 | 87.8 | 0 | 0 | 0 | 109.8 | N693 N814 S819 | N693-L817 HydrophobicContact CB-CD1 3.79Å; N814-L817 HydrophobicContact CB-CD1 3.84Å; N814-L817 WeakPolarHBondContact O-CB 3.01Å; N814-L817 PolarHBondContact O-N 2.85Å; L817-S819 PolarHBondContact O-N 2.98Å |
| 818 | L | 65.7 | Low | 61.3 | Low | 50 Ų | 50 | 96.5 Ų | 96.5 | 26% | 0.262 | 53% | 0.525 | S | S | . | . | P | Polyproline II helix | trans | -71.3 | 123.6 | 172.1 | -87.5 | 150.2 | 0 | 0 | 0 | 111.1 | L690 Q691 V820 Y937 | L690-L818 WeakPolarHBondContact O-CD1 3.42Å; Q691-L818 HydrophobicContact CG-CB 3.97Å; Q691-L818 PolarHBondContact NE2-O 2.9Å; Q691-L818 WeakPolarHBondContact O-CB 3.44Å; Q691-L818 PolarHBondContact O-N 3.22Å; L818-V820 VanDerWaalsContact C-N 3.32Å; L818-V820 PolarHBondContact O-N 3.29Å; L818-Y937 HydrophobicContact CD2-CD1 4.17Å; L818-Y937 HydrophobicContact CD2-CE1 3.3Å |
| 819 | S | 60.9 | Low | 59.6 | Low | 94 Ų | 94 | 91.3 Ų | 91.3 | 66% | 0.657 | 50% | 0.5 | S | S | * | . | trans | -70.1 | 86.4 | 171.6 | 60.3 | 0 | 0 | 0 | 0 | 110.2 | L817 S821 | L817-S819 PolarHBondContact O-N 2.98Å; S819-S821 PolarHBondContact O-N 3.02Å | ||
| 820 | V | 55.7 | Low | 57.4 | Low | 59 Ų | 59 | 92.3 Ų | 92.3 | 36% | 0.358 | 51% | 0.51 | S | S | . | . | trans | -62 | 119.3 | 167.7 | 175.6 | 0 | 0 | 0 | 0 | 107.6 | Q691 L818 R822 | Q691-V820 VanDerWaalsContact CD-CG2 3.46Å; Q691-V820 HydrophobicContact CG-CG2 4.02Å; Q691-V820 VanDerWaalsContact NE2-CG2 3.35Å; L818-V820 VanDerWaalsContact C-N 3.32Å; L818-V820 PolarHBondContact O-N 3.29Å; V820-R822 PolarHBondContact O-N 3.22Å | ||
| 821 | S | 50.6 | Low | 55.3 | Low | 56 Ų | 56 | 99.4 Ų | 99.4 | 39% | 0.392 | 53% | 0.533 | S | S | . | . | trans | -64.3 | 102.6 | 173 | 53.7 | 0 | 0 | 0 | 0 | 108.4 | S819 G823 | S819-S821 PolarHBondContact O-N 3.02Å; S821-G823 PolarHBondContact O-N 2.88Å | ||
| 822 | R | 51.4 | Low | 53.1 | Low | 206 Ų | 206 | 103.3 Ų | 103.3 | 78% | 0.777 | 56% | 0.558 | S | S | * | * | trans | -49.5 | 124.2 | 169 | -67.3 | -176.5 | -175.9 | 174.5 | 1.2 | 108 | V820 E826 | V820-R822 PolarHBondContact O-N 3.22Å; R822-E826 HydrophobicContact CB-CB 4.36Å; R822-E826 WeakPolarHBondContact CB-OE2 3.45Å; R822-E826 VanDerWaalsContact CD-OE2 3.29Å; R822-E826 WeakPolarHBondContact CD-OE2 3.36Å; R822-E826 VanDerWaalsContact CG-OE2 3.27Å; R822-E826 WeakPolarHBondContact CG-OE2 3.42Å | ||
| 823 | G | 50.6 | Low | 50.9 | Low | 17 Ų | 17 | 100.2 Ų | 100.2 | 18% | 0.175 | 56% | 0.557 | C | S | . | * | trans | -65.2 | 171.9 | -170.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | E643 S821 F825 E826 | E643-G823 VanDerWaalsContact OE1-CA 3.32Å; E643-G823 WeakPolarHBondContact OE1-CA 3.43Å; E643-G823 WeakPolarHBondContact OE2-CA 3.38Å; S821-G823 PolarHBondContact O-N 2.88Å; G823-F825 PolarHBondContact O-N 3.29Å; G823-E826 PolarHBondContact O-N 2.82Å | ||
| 824 | L | 47.7 | Very low | 48.6 | Very low | 129 Ų | 129 | 100.4 Ų | 100.4 | 68% | 0.675 | 56% | 0.563 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -54.4 | -14.5 | -169.3 | -80.4 | 135.9 | 0 | 0 | 0 | 115.3 | ||
| 825 | F | 51.4 | Low | 46.3 | Very low | 33 Ų | 33 | 108 Ų | 108 | 15% | 0.145 | 60% | 0.597 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -103.8 | -20.5 | -174.3 | -66.5 | -78.7 | 0 | 0 | 0 | 115.7 | Q615 L619 I644 G823 | Q615-F825 HydrophobicContact CB-CE1 4.13Å; Q615-F825 HydrophobicContact CG-CE1 4.19Å; Q615-F825 HydrophobicContact CG-CZ 4.23Å; L619-F825 HydrophobicContact CD1-CD1 3.95Å; L619-F825 HydrophobicContact CD1-CE1 4.35Å; L619-F825 HydrophobicContact CD2-CD1 3.75Å; L619-F825 HydrophobicContact CD2-CE1 4.33Å; L619-F825 HydrophobicContact CG-CD1 3.78Å; L619-F825 HydrophobicContact CG-CE1 3.98Å; I644-F825 HydrophobicContact CD1-CD2 4.22Å; I644-F825 HydrophobicContact CD1-CE2 3.53Å; I644-F825 HydrophobicContact CD1-CZ 3.79Å; I644-F825 HydrophobicContact CG1-CD2 3.98Å; I644-F825 HydrophobicContact CG1-CE2 3.82Å; I644-F825 HydrophobicContact CG1-CZ 4.39Å; G823-F825 PolarHBondContact O-N 3.29Å |
| 826 | E | 48.9 | Very low | 44.3 | Very low | 96 Ų | 96 | 104.5 Ų | 104.5 | 45% | 0.449 | 60% | 0.602 | S | S | . | * | G | 310 helix | trans | -74.2 | -32.4 | -177.6 | -82.2 | -169.6 | 160.6 | 0 | 0 | 113.2 | R822 G823 K828 A829 | R822-E826 HydrophobicContact CB-CB 4.36Å; R822-E826 WeakPolarHBondContact CB-OE2 3.45Å; R822-E826 VanDerWaalsContact CD-OE2 3.29Å; R822-E826 WeakPolarHBondContact CD-OE2 3.36Å; R822-E826 VanDerWaalsContact CG-OE2 3.27Å; R822-E826 WeakPolarHBondContact CG-OE2 3.42Å; G823-E826 PolarHBondContact O-N 2.82Å; E826-K828 PolarHBondContact O-N 2.77Å; E826-A829 PolarHBondContact O-N 2.89Å |
| 827 | G | 41.6 | Very low | 42.2 | Very low | 79 Ų | 79 | 106 Ų | 106 | 81% | 0.814 | 61% | 0.609 | S | S | * | * | G | 310 helix | trans | -65.6 | -1 | -172.8 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||
| 828 | K | 41.4 | Very low | 40 | Very low | 190 Ų | 190 | 109.6 Ų | 109.6 | 83% | 0.826 | 63% | 0.628 | S | S | * | * | G | 310 helix | trans | -132.7 | 2 | 177.4 | -72 | -176.6 | 177 | 177.4 | 0 | 114.1 | E826 G830 | E826-K828 PolarHBondContact O-N 2.77Å; K828-G830 PolarHBondContact O-N 2.92Å |
| 829 | A | 35.7 | Very low | 38.1 | Very low | 53 Ų | 53 | 111.8 Ų | 111.8 | 44% | 0.438 | 65% | 0.653 | S | S | . | * | trans | -90.3 | 74.9 | -177.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | E826 Y831 | E826-A829 PolarHBondContact O-N 2.89Å; A829-Y831 PolarHBondContact O-N 2.94Å; A829-Y831 VanDerWaalsContact O-N 3.1Å | ||
| 830 | G | 26.1 | Very low | 36.5 | Very low | 74 Ų | 74 | 116.6 Ų | 116.6 | 76% | 0.763 | 67% | 0.665 | S | S | * | * | trans | -66.3 | 106.7 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | K828 | K828-G830 PolarHBondContact O-N 2.92Š| ||
| 831 | Y | 28.5 | Very low | 35.3 | Very low | 211 Ų | 211 | 122.3 Ų | 122.3 | 83% | 0.827 | 69% | 0.692 | S | S | * | * | trans | -122.5 | 122.7 | 152.4 | -89.7 | -78.9 | 0 | 0 | 0 | 107.9 | A829 | A829-Y831 PolarHBondContact O-N 2.94Å; A829-Y831 VanDerWaalsContact O-N 3.1Å | ||
| 832 | P | 24.7 | Very low | 34.1 | Very low | 125 Ų | 125 | 127 Ų | 127 | 81% | 0.812 | 71% | 0.713 | S | S | * | * | trans | -91.2 | 118.9 | -176.6 | 33.3 | -31.4 | 0 | 0 | 0 | 112.1 | ||||
| 833 | S | 28.4 | Very low | 33.1 | Very low | 97 Ų | 97 | 127.2 Ų | 127.2 | 68% | 0.678 | 72% | 0.72 | S | S | * | * | trans | -165.6 | 85.4 | 162.4 | 51.5 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 834 | T | 26.8 | Very low | 32 | Very low | 126 Ų | 126 | 130.4 Ų | 130.4 | 77% | 0.773 | 75% | 0.753 | S | S | * | * | 91.6 | 121 | 84 | 43.4 | 0 | 0 | 0 | 0 | 111.7 | |||||
| 835 | E | 27 | Very low | 31.1 | Very low | 197 Ų | 197 | 127.4 Ų | 127.4 | 92% | 0.921 | 75% | 0.753 | S | S | * | * | trans | 64 | 118.9 | 171.4 | -62.1 | 162.9 | -161.8 | 0 | 0 | 115.3 | ||||
| 836 | C | 24.9 | Very low | 30 | Very low | 124 Ų | 124 | 136 Ų | 136 | 84% | 0.838 | 79% | 0.79 | S | S | * | * | cis | -135.5 | 137.2 | 13.4 | -165.2 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 837 | V | 26.5 | Very low | 29 | Very low | 124 Ų | 124 | 135.3 Ų | 135.3 | 75% | 0.752 | 81% | 0.809 | S | S | * | * | trans | -141.3 | 136.4 | 178.7 | 162.7 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 838 | L | 26.4 | Very low | 28.4 | Very low | 162 Ų | 162 | 134.8 Ų | 134.8 | 85% | 0.848 | 80% | 0.803 | S | S | * | * | trans | 70.2 | 100.9 | 179 | -60.5 | 153.6 | 0 | 0 | 0 | 116.3 | ||||
| 839 | A | 25.2 | Very low | 27.8 | Very low | 96 Ų | 96 | 133.1 Ų | 133.1 | 79% | 0.793 | 80% | 0.802 | S | S | * | * | 168.5 | 94 | 106.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | |||||
| 840 | E | 27.8 | Very low | 27.5 | Very low | 194 Ų | 194 | 138.3 Ų | 138.3 | 91% | 0.907 | 82% | 0.821 | S | S | * | * | S | Bend | trans | -166.7 | 154.7 | 148.2 | -113.6 | 169.3 | -150.2 | 0 | 0 | 109.2 | ||
| 841 | L | 28.7 | Very low | 27.4 | Very low | 179 Ų | 179 | 138.8 Ų | 138.8 | 94% | 0.937 | 81% | 0.813 | S | S | * | * | S | Bend | trans | 69.8 | 53.7 | -171.2 | -55.8 | 173.8 | 0 | 0 | 0 | 116.9 | ||
| 842 | D | 26.7 | Very low | 27.3 | Very low | 155 Ų | 155 | 133.3 Ų | 133.3 | 83% | 0.829 | 81% | 0.806 | S | S | * | * | trans | -142 | 92.7 | 135.1 | -161.8 | 6.3 | 0 | 0 | 0 | 111.3 | ||||
| 843 | K | 29.9 | Very low | 27.5 | Very low | 211 Ų | 211 | 132.7 Ų | 132.7 | 92% | 0.917 | 80% | 0.8 | S | S | * | * | trans | -165.7 | 84.4 | 161.9 | -115.1 | 166.9 | -168.2 | 173.9 | 0 | 112.6 | ||||
| 844 | G | 28.3 | Very low | 27.5 | Very low | 84 Ų | 84 | 135.3 Ų | 135.3 | 87% | 0.866 | 81% | 0.805 | S | S | * | * | S | Bend | trans | -129.6 | 56.2 | 159.8 | 0 | 0 | 0 | 0 | 0 | 111 | ||
| 845 | G | 27.6 | Very low | 27.4 | Very low | 65 Ų | 65 | 137 Ų | 137 | 67% | 0.67 | 81% | 0.809 | S | S | * | * | S | Bend | trans | 168.6 | 69.8 | -176.4 | 0 | 0 | 0 | 0 | 0 | 118.7 | ||
| 846 | K | 29.8 | Very low | 27.5 | Very low | 214 Ų | 214 | 132.3 Ų | 132.3 | 93% | 0.93 | 80% | 0.804 | S | S | * | * | trans | 40.2 | 113 | 148.7 | -59.6 | -179.4 | 179.5 | -179.6 | 0 | 119.6 | ||||
| 847 | G | 28 | Very low | 27.7 | Very low | 82 Ų | 82 | 131.1 Ų | 131.1 | 85% | 0.845 | 80% | 0.803 | S | S | * | * | trans | 167.6 | 90.3 | 156.5 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 848 | G | 28.4 | Very low | 27.9 | Very low | 68 Ų | 68 | 129 Ų | 129 | 70% | 0.701 | 80% | 0.798 | S | S | * | * | trans | 76.9 | 106.2 | 139.8 | 0 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 849 | I | 29.2 | Very low | 28 | Very low | 154 Ų | 154 | 129.5 Ų | 129.5 | 79% | 0.79 | 80% | 0.796 | S | S | * | * | 68.5 | 108.9 | 122.7 | -63.8 | 169.4 | 0 | 0 | 0 | 119.1 | |||||
| 850 | L | 28.2 | Very low | 28.3 | Very low | 162 Ų | 162 | 131.7 Ų | 131.7 | 85% | 0.848 | 79% | 0.794 | S | S | * | * | trans | 63.7 | 155.8 | 148.8 | -58.7 | 170.3 | 0 | 0 | 0 | 118.6 | ||||
| 851 | S | 25.2 | Very low | 28.5 | Very low | 84 Ų | 84 | 128.9 Ų | 128.9 | 59% | 0.587 | 79% | 0.79 | S | S | * | * | cis | 178.5 | 142.6 | -25.3 | 172.4 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 852 | S | 26.5 | Very low | 28.5 | Very low | 97 Ų | 97 | 124.1 Ų | 124.1 | 68% | 0.678 | 78% | 0.777 | S | S | * | * | trans | 60.5 | 147.9 | 152.6 | 55.3 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 853 | T | 29.1 | Very low | 28.7 | Very low | 112 Ų | 112 | 125.6 Ų | 125.6 | 69% | 0.687 | 78% | 0.779 | S | S | * | * | cis | -168 | 162.3 | 23.8 | -14.9 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 854 | L | 28.1 | Very low | 28.7 | Very low | 152 Ų | 152 | 122.3 Ų | 122.3 | 80% | 0.796 | 78% | 0.776 | S | S | * | * | trans | 62.5 | 111 | 152.2 | -65.4 | 155.6 | 0 | 0 | 0 | 117.4 | ||||
| 855 | L | 24.8 | Very low | 28.8 | Very low | 162 Ų | 162 | 121.6 Ų | 121.6 | 85% | 0.848 | 77% | 0.769 | S | S | * | * | cis | 76.1 | 133.6 | 23.1 | -134.2 | 172.8 | 0 | 0 | 0 | 114.2 | ||||
| 856 | A | 27.6 | Very low | 28.9 | Very low | 98 Ų | 98 | 127.9 Ų | 127.9 | 81% | 0.81 | 78% | 0.78 | S | S | * | * | trans | 76 | 140.9 | 178.8 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 857 | A | 30.2 | Very low | 28.9 | Very low | 99 Ų | 99 | 121 Ų | 121 | 82% | 0.818 | 77% | 0.771 | S | S | * | * | cis | -152.3 | -177.1 | -9.5 | 0 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 858 | A | 31 | Very low | 29.1 | Very low | 79 Ų | 79 | 129.4 Ų | 129.4 | 65% | 0.653 | 78% | 0.777 | S | S | * | * | cis | -150.5 | 171.1 | 8.5 | 0 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 859 | E | 28.2 | Very low | 29.1 | Very low | 173 Ų | 173 | 131.3 Ų | 131.3 | 81% | 0.808 | 78% | 0.778 | S | S | * | * | 56.7 | 125.2 | 65.4 | -58.5 | 175.6 | 164.4 | 0 | 0 | 113.4 | |||||
| 860 | D | 30.9 | Very low | 28.9 | Very low | 141 Ų | 141 | 128.4 Ų | 128.4 | 75% | 0.754 | 77% | 0.772 | S | S | * | * | cis | -144 | 178.5 | 8.1 | -74.7 | -49.8 | 0 | 0 | 0 | 109.6 | ||||
| 861 | V | 31.2 | Very low | 28.9 | Very low | 135 Ų | 135 | 129.4 Ų | 129.4 | 82% | 0.818 | 77% | 0.772 | S | S | * | * | -177.9 | 144.5 | 62.2 | 169 | 0 | 0 | 0 | 0 | 111.4 | |||||
| 862 | A | 30.2 | Very low | 29.2 | Very low | 79 Ų | 79 | 129.3 Ų | 129.3 | 65% | 0.653 | 78% | 0.776 | S | S | * | * | trans | 63.7 | 116.1 | 160.3 | 0 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 863 | E | 29.8 | Very low | 29.3 | Very low | 187 Ų | 187 | 131.4 Ų | 131.4 | 87% | 0.874 | 78% | 0.78 | S | S | * | * | 69.4 | 137.3 | 70.9 | -68.1 | -169.1 | 146.3 | 0 | 0 | 113.7 | |||||
| 864 | V | 31 | Very low | 29.3 | Very low | 142 Ų | 142 | 133.6 Ų | 133.6 | 86% | 0.861 | 78% | 0.784 | S | S | * | * | cis | -149.4 | 150.3 | 32.2 | 176.5 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 865 | G | 29.4 | Very low | 29.2 | Very low | 69 Ų | 69 | 132.1 Ų | 132.1 | 71% | 0.711 | 78% | 0.777 | S | S | * | * | trans | 148.7 | 62.9 | 156.2 | 0 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 866 | E | 30.9 | Very low | 29.6 | Very low | 196 Ų | 196 | 133.9 Ų | 133.9 | 92% | 0.916 | 77% | 0.774 | S | S | * | * | trans | 22.9 | 113.8 | 148.7 | -55.6 | 177.7 | 156.8 | 0 | 0 | 118.5 | ||||
| 867 | G | 28.4 | Very low | 29.6 | Very low | 71 Ų | 71 | 134.9 Ų | 134.9 | 73% | 0.732 | 77% | 0.765 | S | S | * | * | 113 | 142.7 | 68.8 | 0 | 0 | 0 | 0 | 0 | 108.9 | |||||
| 868 | W | 32.4 | Very low | 29.6 | Very low | 257 Ų | 257 | 137.8 Ų | 137.8 | 97% | 0.973 | 76% | 0.762 | S | S | * | * | cis | -135.2 | 145.4 | 25.1 | -73.2 | 27.6 | 0 | 0 | 0 | 112.4 | ||||
| 869 | C | 28.5 | Very low | 29.5 | Very low | 108 Ų | 108 | 142.5 Ų | 142.5 | 73% | 0.73 | 77% | 0.77 | S | S | * | * | trans | -66.3 | 156.7 | 167.3 | -64.6 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 870 | S | 26.4 | Very low | 29.6 | Very low | 94 Ų | 94 | 137.7 Ų | 137.7 | 66% | 0.657 | 77% | 0.768 | S | S | * | * | cis | 74.2 | 151.4 | 35.7 | 81.3 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 871 | E | 28.1 | Very low | 29.6 | Very low | 182 Ų | 182 | 140.1 Ų | 140.1 | 85% | 0.85 | 77% | 0.774 | S | S | * | * | trans | 74.7 | 148.8 | -174.6 | -53.8 | 177.4 | -170.6 | 0 | 0 | 113.1 | ||||
| 872 | A | 30.7 | Very low | 29.2 | Very low | 82 Ų | 82 | 142.6 Ų | 142.6 | 68% | 0.678 | 78% | 0.777 | S | S | * | * | cis | -161.2 | 167.1 | 1.8 | 0 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 873 | D | 28.3 | Very low | 29.1 | Very low | 141 Ų | 141 | 148.9 Ų | 148.9 | 75% | 0.754 | 79% | 0.79 | S | S | * | * | cis | -169 | -172.3 | -18.4 | -102.3 | -34.8 | 0 | 0 | 0 | 109.1 | ||||
| 874 | M | 29.6 | Very low | 28.9 | Very low | 158 Ų | 158 | 144.4 Ų | 144.4 | 78% | 0.778 | 78% | 0.779 | S | S | * | * | trans | 76.6 | 153.6 | 161.6 | -54.3 | -141.2 | -57.2 | 0 | 0 | 117.7 | ||||
| 875 | L | 26.6 | Very low | 28.7 | Very low | 121 Ų | 121 | 144.6 Ų | 144.6 | 63% | 0.634 | 78% | 0.776 | S | S | * | * | cis | -174.8 | -171.3 | -32.3 | -111.4 | 161.2 | 0 | 0 | 0 | 106.3 | ||||
| 876 | Y | 31.5 | Very low | 28.7 | Very low | 200 Ų | 200 | 148.4 Ų | 148.4 | 78% | 0.784 | 79% | 0.785 | S | S | * | * | trans | 80.1 | 111.2 | -176.2 | -44.1 | -63 | 0 | 0 | 0 | 113 | ||||
| 877 | D | 27.8 | Very low | 28.3 | Very low | 118 Ų | 118 | 143.8 Ų | 143.8 | 63% | 0.631 | 77% | 0.774 | S | S | * | * | cis | 66.2 | 135.5 | 47.8 | -44.2 | -38.2 | 0 | 0 | 0 | 110.6 | ||||
| 878 | E | 31.1 | Very low | 28.3 | Very low | 160 Ų | 160 | 149.9 Ų | 149.9 | 75% | 0.748 | 78% | 0.78 | S | S | * | * | cis | -162.7 | 160.7 | 3.7 | -123.1 | 167.6 | 175.2 | 0 | 0 | 109.9 | ||||
| 879 | E | 29.5 | Very low | 28 | Very low | 178 Ų | 178 | 142 Ų | 142 | 83% | 0.832 | 77% | 0.77 | S | S | * | * | trans | 77.8 | 138.1 | 144.8 | -71.1 | -177.1 | 165.7 | 0 | 0 | 125.7 | ||||
| 880 | G | 29.6 | Very low | 28 | Very low | 73 Ų | 73 | 143.6 Ų | 143.6 | 75% | 0.753 | 78% | 0.776 | S | S | * | * | trans | 88.9 | 135.2 | 149.4 | 0 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 881 | E | 29.6 | Very low | 27.9 | Very low | 192 Ų | 192 | 147.9 Ų | 147.9 | 90% | 0.897 | 78% | 0.783 | S | S | * | * | cis | -149.7 | 159.1 | -14.5 | -80 | -168.4 | 132.1 | 0 | 0 | 108.5 | ||||
| 882 | E | 24.4 | Very low | 28 | Very low | 187 Ų | 187 | 144.4 Ų | 144.4 | 87% | 0.874 | 78% | 0.779 | S | S | * | * | trans | -74.9 | 144.9 | 172.5 | -60.3 | -179.4 | 130.2 | 0 | 0 | 111.6 | ||||
| 883 | F | 27.8 | Very low | 27.8 | Very low | 210 Ų | 210 | 146.9 Ų | 146.9 | 92% | 0.921 | 78% | 0.781 | S | S | * | * | trans | -146.7 | 125.8 | 147.7 | -121.8 | -81.1 | 0 | 0 | 0 | 112.2 | ||||
| 884 | S | 25.7 | Very low | 27.8 | Very low | 93 Ų | 93 | 146.5 Ų | 146.5 | 65% | 0.65 | 78% | 0.783 | S | S | * | * | trans | -95.5 | 164 | -175.6 | 56.8 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 885 | D | 26.4 | Very low | 27.8 | Very low | 147 Ų | 147 | 144 Ų | 144 | 79% | 0.786 | 78% | 0.779 | S | S | * | * | trans | 50.9 | 104.1 | 154.3 | -68 | -19.3 | 0 | 0 | 0 | 120.2 | ||||
| 886 | V | 29.1 | Very low | 27.7 | Very low | 148 Ų | 148 | 143.1 Ų | 143.1 | 90% | 0.897 | 79% | 0.789 | S | S | * | * | -136.8 | 115.2 | 124.8 | -174.2 | 0 | 0 | 0 | 0 | 110.3 | |||||
| 887 | S | 23.7 | Very low | 27.6 | Very low | 99 Ų | 99 | 142 Ų | 142 | 69% | 0.692 | 79% | 0.791 | S | S | * | * | trans | -95.2 | 130.9 | 161.9 | 56.2 | 0 | 0 | 0 | 0 | 110 | ||||
| 888 | K | 26.4 | Very low | 27.5 | Very low | 200 Ų | 200 | 140.9 Ų | 140.9 | 87% | 0.87 | 80% | 0.798 | S | S | * | * | trans | 174 | 145.1 | 138 | -99 | 158.3 | -173 | 172.5 | 0 | 115 | ||||
| 889 | A | 26.4 | Very low | 27.4 | Very low | 91 Ų | 91 | 140.1 Ų | 140.1 | 75% | 0.752 | 80% | 0.804 | S | S | * | * | trans | 64.2 | 101.8 | 144.4 | 0 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 890 | V | 29.4 | Very low | 27.2 | Very low | 142 Ų | 142 | 138.6 Ų | 138.6 | 86% | 0.861 | 81% | 0.807 | S | S | * | * | -125.3 | 107.6 | 127.9 | -178 | 0 | 0 | 0 | 0 | 108 | |||||
| 891 | K | 23.6 | Very low | 27.1 | Very low | 183 Ų | 183 | 138.5 Ų | 138.5 | 80% | 0.796 | 81% | 0.806 | S | S | * | * | trans | -94.6 | 143 | 155.1 | -84.1 | -173.3 | 171.9 | -170.4 | 0 | 107.1 | ||||
| 892 | S | 30.3 | Very low | 27.1 | Very low | 110 Ų | 110 | 138.9 Ų | 138.9 | 77% | 0.769 | 81% | 0.808 | S | S | * | * | trans | -138.4 | 107.2 | 162.4 | 56.8 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 893 | D | 27.2 | Very low | 27.3 | Very low | 134 Ų | 134 | 139.7 Ų | 139.7 | 72% | 0.717 | 81% | 0.812 | S | S | * | * | trans | -72.7 | -166.9 | 171 | -62.3 | -69.3 | 0 | 0 | 0 | 111.5 | ||||
| 894 | V | 28.9 | Very low | 27.7 | Very low | 133 Ų | 133 | 131.9 Ų | 131.9 | 81% | 0.806 | 79% | 0.79 | S | S | * | * | trans | 112.7 | 128.5 | 146.8 | -178.4 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 895 | P | 29.6 | Very low | 28.5 | Very low | 105 Ų | 105 | 129.3 Ų | 129.3 | 68% | 0.682 | 78% | 0.778 | S | S | * | * | cis | -134.8 | 179.6 | -27.1 | 35.8 | -17 | 0 | 0 | 0 | 113.7 | ||||
| 896 | A | 24.2 | Very low | 29.7 | Very low | 103 Ų | 103 | 124 Ų | 124 | 85% | 0.851 | 75% | 0.747 | S | S | * | * | trans | -121.3 | 106.8 | 161 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 897 | E | 28.4 | Very low | 30.4 | Very low | 177 Ų | 177 | 126.6 Ų | 126.6 | 83% | 0.827 | 75% | 0.75 | S | S | * | * | trans | -137.3 | 115.5 | 171.5 | -71 | -170.8 | 156.5 | 0 | 0 | 106.9 | ||||
| 898 | A | 25.3 | Very low | 31.4 | Very low | 94 Ų | 94 | 124.6 Ų | 124.6 | 78% | 0.777 | 73% | 0.733 | S | S | * | * | 90.4 | 93 | 90.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 899 | V | 29.8 | Very low | 31.7 | Very low | 144 Ų | 144 | 124 Ų | 124 | 87% | 0.873 | 73% | 0.734 | S | S | * | * | trans | -131.4 | 98.3 | 155.3 | -177.2 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 900 | T | 25 | Very low | 32 | Very low | 146 Ų | 146 | 123.7 Ų | 123.7 | 90% | 0.896 | 73% | 0.731 | S | S | * | * | trans | -69 | 125.4 | 161 | 45.9 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 901 | G | 27.8 | Very low | 32.1 | Very low | 71 Ų | 71 | 123.9 Ų | 123.9 | 73% | 0.732 | 73% | 0.727 | S | S | * | * | trans | -154.5 | 104.9 | -176.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 902 | E | 29.2 | Very low | 32.5 | Very low | 200 Ų | 200 | 122 Ų | 122 | 94% | 0.935 | 73% | 0.725 | S | S | * | * | trans | -21.7 | 156.3 | -178.5 | -67.1 | 172.3 | 154.4 | 0 | 0 | 121.4 | ||||
| 903 | E | 29.2 | Very low | 32.3 | Very low | 204 Ų | 204 | 124.7 Ų | 124.7 | 95% | 0.953 | 73% | 0.725 | S | S | * | * | trans | -71.6 | 138.4 | -168.1 | -60.3 | 167.4 | 148.5 | 0 | 0 | 113.5 | ||||
| 904 | G | 35.5 | Very low | 32.3 | Very low | 45 Ų | 45 | 125.7 Ų | 125.7 | 46% | 0.464 | 73% | 0.73 | S | S | . | * | trans | -147.5 | 26.9 | -176.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 905 | G | 43.3 | Very low | 32.6 | Very low | 40 Ų | 40 | 124.7 Ų | 124.7 | 41% | 0.412 | 73% | 0.726 | S | S | . | * | trans | -63.6 | 173.5 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | E907 T1049 | G905-E907 PolarHBondContact O-N 2.82Å; G905-T1049 WeakPolarHBondContact CA-O 3.49Å | ||
| 906 | W | 51.7 | Low | 32.9 | Very low | 34 Ų | 34 | 124.6 Ų | 124.6 | 13% | 0.129 | 73% | 0.726 | C | S | . | * | trans | -62.9 | 127.5 | 163.4 | -66.2 | 84.8 | 0 | 0 | 0 | 108.3 | V908 T1047 T1048 F1052 F1121 L1133 T1134 | W906-V908 PolarHBondContact O-N 2.86Å; W906-T1047 PolarHBondContact NE1-O 3.09Å; W906-T1048 VanDerWaalsContact CD1-O 3.29Å; W906-F1052 HydrophobicContact CD2-CZ 4.03Å; W906-F1052 AromaticContact CE2-CE1 3.67Å; W906-F1052 AromaticContact CE2-CZ 3.54Å; W906-F1052 HydrophobicContact CH2-CZ 4.14Å; W906-F1052 AromaticContact CZ2-CE1 3.69Å; W906-F1052 HydrophobicContact CZ2-CE1 3.69Å; W906-F1052 AromaticContact CZ2-CZ 3.61Å; W906-F1052 HydrophobicContact CZ2-CZ 3.61Å; W906-F1052 AromaticContact NE1-CE1 3.61Å; W906-F1052 AromaticContact NE1-CZ 3.82Å; W906-F1121 HydrophobicContact CH2-CE1 4.3Å; W906-L1133 HydrophobicContact CD2-CB 4.13Å; W906-L1133 HydrophobicContact CD2-CD1 4.14Å; W906-L1133 HydrophobicContact CE3-CB 3.92Å; W906-L1133 HydrophobicContact CG-CD1 4.37Å; W906-L1133 HydrophobicContact CH2-CB 3.84Å; W906-L1133 HydrophobicContact CZ2-CB 4.02Å; W906-L1133 HydrophobicContact CZ2-CD1 4.21Å; W906-L1133 HydrophobicContact CZ3-CB 3.78Å; W906-T1134 HydrophobicContact CH2-CG2 3.98Å | ||
| 907 | E | 43.1 | Very low | 33 | Very low | 204 Ų | 204 | 126.5 Ų | 126.5 | 95% | 0.953 | 72% | 0.721 | S | S | * | * | S | Bend | trans | -68.9 | 74.3 | 174.5 | -71.4 | 179.5 | 166.5 | 0 | 0 | 110.7 | G905 | G905-E907 PolarHBondContact O-N 2.82Š|
| 908 | V | 44.2 | Very low | 32.9 | Very low | 56 Ų | 56 | 126.5 Ų | 126.5 | 34% | 0.339 | 73% | 0.726 | S | S | . | * | trans | -147.8 | 109.7 | 177.4 | -179.1 | 0 | 0 | 0 | 0 | 107.4 | W906 | W906-V908 PolarHBondContact O-N 2.86Š| ||
| 909 | E | 34.5 | Very low | 32.8 | Very low | 189 Ų | 189 | 129.2 Ų | 129.2 | 88% | 0.883 | 73% | 0.727 | S | S | * | * | trans | -65.6 | 138.5 | -176.3 | -59.4 | 170.6 | 144.4 | 0 | 0 | 112.7 | ||||
| 910 | A | 32.1 | Very low | 32.7 | Very low | 84 Ų | 84 | 129.6 Ų | 129.6 | 69% | 0.694 | 72% | 0.719 | S | S | * | * | trans | 39.8 | 141.6 | 149.3 | 0 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 911 | D | 32.3 | Very low | 32.7 | Very low | 146 Ų | 146 | 131.9 Ų | 131.9 | 78% | 0.781 | 72% | 0.716 | S | S | * | * | cis | -169.8 | 162.7 | 25 | -116.6 | -23.5 | 0 | 0 | 0 | 113.5 | ||||
| 912 | L | 30.6 | Very low | 32.5 | Very low | 143 Ų | 143 | 133.3 Ų | 133.3 | 75% | 0.749 | 71% | 0.711 | S | S | * | * | trans | 68.9 | 92.3 | 147.9 | -81.7 | 144.2 | 0 | 0 | 0 | 125.4 | ||||
| 913 | E | 27.3 | Very low | 32.2 | Very low | 166 Ų | 166 | 130.9 Ų | 130.9 | 78% | 0.776 | 70% | 0.704 | S | S | * | * | 30.9 | 121.3 | 121.2 | -63.9 | -171 | 157.5 | 0 | 0 | 126.4 | |||||
| 914 | L | 27.3 | Very low | 32 | Very low | 156 Ų | 156 | 128.3 Ų | 128.3 | 82% | 0.817 | 70% | 0.702 | S | S | * | * | 50 | 172.2 | 110.8 | -80.8 | 168.8 | 0 | 0 | 0 | 122.9 | |||||
| 915 | P | 33.8 | Very low | 31.4 | Very low | 112 Ų | 112 | 137 Ų | 137 | 73% | 0.727 | 72% | 0.721 | S | S | * | * | cis | -130.9 | -130.4 | -12.1 | 32.7 | -5.9 | 0 | 0 | 0 | 114.6 | ||||
| 916 | P | 35.6 | Very low | 30.5 | Very low | 103 Ų | 103 | 144.1 Ų | 144.1 | 67% | 0.669 | 74% | 0.741 | S | S | * | * | -135.2 | -156.8 | -123.4 | 43.1 | -18.2 | 0 | 0 | 0 | 117.2 | |||||
| 917 | D | 26.7 | Very low | 29.1 | Very low | 142 Ų | 142 | 147.8 Ų | 147.8 | 76% | 0.759 | 77% | 0.767 | S | S | * | * | trans | 111.3 | 116 | 157 | -66.2 | -19.6 | 0 | 0 | 0 | 119.4 | ||||
| 918 | L | 26.5 | Very low | 28.2 | Very low | 177 Ų | 177 | 146.8 Ų | 146.8 | 93% | 0.927 | 76% | 0.763 | S | S | * | * | 177.7 | 149.1 | 103.2 | -93.9 | 169.9 | 0 | 0 | 0 | 113.2 | |||||
| 919 | L | 24.2 | Very low | 27.3 | Very low | 151 Ų | 151 | 147.8 Ų | 147.8 | 79% | 0.791 | 78% | 0.784 | S | S | * | * | trans | -115.2 | 158.5 | -169 | -88.5 | 161.7 | 0 | 0 | 0 | 114.4 | ||||
| 920 | E | 26 | Very low | 26.8 | Very low | 153 Ų | 153 | 146.1 Ų | 146.1 | 72% | 0.715 | 78% | 0.781 | S | S | * | * | trans | 60.3 | 137.7 | 147.4 | -73.5 | -179.3 | -172.4 | 0 | 0 | 123.6 | ||||
| 921 | K | 25.4 | Very low | 26.6 | Very low | 193 Ų | 193 | 145.8 Ų | 145.8 | 84% | 0.839 | 79% | 0.786 | S | S | * | * | -171.4 | 110.7 | 110.1 | -100.3 | 163.1 | -172.6 | 171.8 | 0 | 116.8 | |||||
| 922 | T | 23.2 | Very low | 26.3 | Very low | 102 Ų | 102 | 145.4 Ų | 145.4 | 63% | 0.626 | 79% | 0.789 | S | S | * | * | trans | 24.4 | 129.1 | 134.1 | 56.7 | 0 | 0 | 0 | 0 | 125 | ||||
| 923 | N | 23.6 | Very low | 26.3 | Very low | 148 Ų | 148 | 142.3 Ų | 142.3 | 79% | 0.791 | 79% | 0.791 | S | S | * | * | 62.4 | 126.8 | 123.9 | -62.4 | -28 | 0 | 0 | 0 | 124.4 | |||||
| 924 | V | 25.5 | Very low | 26.4 | Very low | 150 Ų | 150 | 141.5 Ų | 141.5 | 91% | 0.909 | 80% | 0.798 | S | S | * | * | trans | -141 | 141.6 | 136.2 | -179.1 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 925 | R | 22 | Very low | 26.9 | Very low | 229 Ų | 229 | 137.5 Ų | 137.5 | 86% | 0.864 | 79% | 0.794 | S | S | * | * | trans | -96.1 | 161.6 | 177.2 | -66.2 | 169.8 | 164 | 171.9 | -6.7 | 112.2 | ||||
| 926 | K | 24.5 | Very low | 27 | Very low | 188 Ų | 188 | 138.4 Ų | 138.4 | 82% | 0.817 | 79% | 0.792 | S | S | * | * | 178.5 | 137.6 | 114.5 | -100.8 | 174.1 | -179 | -177.9 | 0 | 116.8 | |||||
| 927 | T | 24 | Very low | 27.3 | Very low | 111 Ų | 111 | 139 Ų | 139 | 68% | 0.681 | 78% | 0.782 | S | S | * | * | trans | 37.6 | 118.5 | 146 | 52.9 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 928 | Q | 23.4 | Very low | 27.9 | Very low | 184 Ų | 184 | 137.5 Ų | 137.5 | 86% | 0.86 | 78% | 0.777 | S | S | * | * | 81.3 | 135.2 | 66.7 | -89 | -172.5 | -28.7 | 0 | 0 | 115.4 | |||||
| 929 | G | 25.1 | Very low | 28.6 | Very low | 76 Ų | 76 | 133 Ų | 133 | 78% | 0.784 | 76% | 0.759 | S | S | * | * | trans | -179 | 100.7 | 172.8 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 930 | D | 24.6 | Very low | 29.4 | Very low | 155 Ų | 155 | 130.9 Ų | 130.9 | 83% | 0.829 | 75% | 0.754 | S | S | * | * | trans | -76 | 153.9 | -176.6 | -82.1 | -45.9 | 0 | 0 | 0 | 113.3 | ||||
| 931 | G | 26.7 | Very low | 30.4 | Very low | 77 Ų | 77 | 128.5 Ų | 128.5 | 79% | 0.794 | 75% | 0.754 | S | S | * | * | trans | -143.5 | 77.6 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | G933 | G931-G933 PolarHBondContact O-N 3.04Š| ||
| 932 | T | 27.4 | Very low | 31.7 | Very low | 138 Ų | 138 | 131.3 Ų | 131.3 | 85% | 0.847 | 76% | 0.759 | S | S | * | * | trans | -67.9 | 111.7 | -178.3 | 50.7 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 933 | G | 29.6 | Very low | 33.2 | Very low | 77 Ų | 77 | 129.4 Ų | 129.4 | 79% | 0.794 | 76% | 0.76 | S | S | * | * | trans | -93.6 | 120 | 171.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | G931 G935 | G931-G933 PolarHBondContact O-N 3.04Å; G933-G935 PolarHBondContact O-N 2.86Å; G933-G935 VanDerWaalsContact O-N 3.16Å | ||
| 934 | T | 30.3 | Very low | 35.3 | Very low | 149 Ų | 149 | 127.8 Ų | 127.8 | 91% | 0.914 | 75% | 0.749 | S | S | * | * | trans | -76.2 | 98.3 | -179.7 | 39.1 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 935 | G | 36.6 | Very low | 37.5 | Very low | 72 Ų | 72 | 124.2 Ų | 124.2 | 74% | 0.742 | 73% | 0.729 | S | S | * | * | P | Polyproline II helix | trans | -85.4 | 124.7 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | G933 Y937 | G933-G935 PolarHBondContact O-N 2.86Å; G933-G935 VanDerWaalsContact O-N 3.16Å; G935-Y937 PolarHBondContact O-N 2.84Å |
| 936 | I | 36.7 | Very low | 40.1 | Very low | 132 Ų | 132 | 115.8 Ų | 115.8 | 68% | 0.677 | 70% | 0.703 | S | S | * | * | P | Polyproline II helix | trans | -62.1 | 124.4 | 169.6 | -63.7 | 166.1 | 0 | 0 | 0 | 108.3 | V938 | I936-V938 PolarHBondContact O-N 3.14Š|
| 937 | Y | 41.4 | Very low | 42.7 | Very low | 116 Ų | 116 | 107.9 Ų | 107.9 | 46% | 0.455 | 67% | 0.671 | S | S | . | * | P | Polyproline II helix | trans | -74.2 | 120.6 | -179.1 | -177.8 | -85.6 | 0 | 0 | 0 | 110.6 | L818 G935 P939 P940 | L818-Y937 HydrophobicContact CD2-CD1 4.17Å; L818-Y937 HydrophobicContact CD2-CE1 3.3Å; G935-Y937 PolarHBondContact O-N 2.84Å; Y937-P939 HydrophobicContact CE1-CB 4.49Å; Y937-P940 WeakPolarHBondContact OH-CD 3.44Å |
| 938 | V | 40.1 | Very low | 45.5 | Very low | 109 Ų | 109 | 104.2 Ų | 104.2 | 66% | 0.661 | 65% | 0.65 | S | S | * | * | P | Polyproline II helix | trans | -101.1 | 130.3 | 169.2 | -179.8 | 0 | 0 | 0 | 0 | 107 | I936 | I936-V938 PolarHBondContact O-N 3.14Š|
| 939 | P | 40.7 | Very low | 48.3 | Very low | 84 Ų | 84 | 97.6 Ų | 97.6 | 55% | 0.545 | 62% | 0.619 | S | S | . | * | P | Polyproline II helix | trans | -54.7 | 131.8 | 175.7 | 22.9 | -33.2 | 0 | 0 | 0 | 109.6 | Y937 S941 | Y937-P939 HydrophobicContact CE1-CB 4.49Å; P939-S941 PolarHBondContact O-N 3.37Å |
| 940 | P | 40.3 | Very low | 51.3 | Low | 106 Ų | 106 | 94 Ų | 94 | 69% | 0.688 | 58% | 0.582 | S | S | * | * | trans | -63.5 | 106.2 | -167.9 | 22.7 | -33.9 | 0 | 0 | 0 | 110.3 | Y937 | Y937-P940 WeakPolarHBondContact OH-CD 3.44Š| ||
| 941 | S | 47.1 | Very low | 54.1 | Low | 102 Ų | 102 | 89 Ų | 89 | 71% | 0.713 | 55% | 0.554 | S | S | * | * | trans | -55.4 | 146.5 | 160.5 | 57.2 | 0 | 0 | 0 | 0 | 108.5 | P939 G943 | P939-S941 PolarHBondContact O-N 3.37Å; S941-G943 PolarHBondContact O-N 3.47Å | ||
| 942 | R | 53.1 | Low | 56.9 | Low | 252 Ų | 252 | 90.7 Ų | 90.7 | 95% | 0.951 | 55% | 0.545 | S | S | * | . | trans | -51.9 | 101.5 | -177.4 | -173.2 | 179.9 | -174.2 | 179.1 | 2.8 | 110 | ||||
| 943 | G | 55.5 | Low | 59.6 | Low | 62 Ų | 62 | 86.8 Ų | 86.8 | 64% | 0.639 | 52% | 0.519 | S | S | * | . | P | Polyproline II helix | trans | -64.9 | 150 | -172.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | S941 | S941-G943 PolarHBondContact O-N 3.47Š|
| 944 | M | 66.4 | Low | 62.1 | Low | 114 Ų | 114 | 83.9 Ų | 83.9 | 56% | 0.562 | 49% | 0.487 | S | S | * | . | P | Polyproline II helix | trans | -69.3 | 137.7 | 162.6 | -62.6 | -175.1 | 76.3 | 0 | 0 | 108 | ||
| 945 | P | 71.9 | Confident | 64.7 | Low | 75 Ų | 75 | 85.6 Ų | 85.6 | 49% | 0.487 | 48% | 0.476 | S | S | . | . | P | Polyproline II helix | trans | -62.8 | 145.9 | 176.5 | 25.7 | -31.6 | 0 | 0 | 0 | 110 | S947 S948 | P945-S947 PolarHBondContact O-N 3.16Å; P945-S947 VanDerWaalsContact O-N 3.07Å; P945-S948 WeakPolarHBondContact CG-OG 3.3Å; P945-S948 WeakPolarHBondContact O-CB 3.4Å; P945-S948 PolarHBondContact O-N 3.38Å |
| 946 | V | 76.6 | Confident | 67.2 | Low | 53 Ų | 53 | 82.3 Ų | 82.3 | 32% | 0.321 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -53.7 | -35.9 | -173.1 | -179.1 | 0 | 0 | 0 | 0 | 112.2 | S948 H949 W950 Y1012 L1014 | V946-S948 VanDerWaalsContact C-N 3.3Å; V946-S948 PolarHBondContact O-N 2.92Å; V946-H949 WeakPolarHBondContact O-CB 3.39Å; V946-H949 PolarHBondContact O-N 2.76Å; V946-H949 VanDerWaalsContact O-N 3.15Å; V946-W950 HydrophobicContact CG1-CZ2 3.87Å; V946-Y1012 HydrophobicContact CB-CD2 4.35Å; V946-Y1012 HydrophobicContact CB-CG 4.44Å; V946-Y1012 HydrophobicContact CG2-CD2 4.48Å; V946-L1014 HydrophobicContact CG1-CD2 3.98Å |
| 947 | S | 79.7 | Confident | 69.8 | Low | 22 Ų | 22 | 76.1 Ų | 76.1 | 15% | 0.154 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -60.8 | -30.5 | 175.5 | 53.3 | 0 | 0 | 0 | 0 | 114.5 | P945 H949 W950 A963 | P945-S947 PolarHBondContact O-N 3.16Å; P945-S947 VanDerWaalsContact O-N 3.07Å; S947-H949 VanDerWaalsContact C-N 3.31Å; S947-H949 PolarHBondContact O-N 2.95Å; S947-W950 PolarHBondContact O-N 3.45Å; S947-A963 WeakPolarHBondContact O-CB 3.41Å |
| 948 | S | 83.3 | Confident | 72.2 | Confident | 33 Ų | 33 | 71 Ų | 71 | 23% | 0.231 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -68.9 | -28.8 | 176 | -63.8 | 0 | 0 | 0 | 0 | 112.8 | P945 V946 N952 | P945-S948 WeakPolarHBondContact CG-OG 3.3Å; P945-S948 WeakPolarHBondContact O-CB 3.4Å; P945-S948 PolarHBondContact O-N 3.38Å; V946-S948 VanDerWaalsContact C-N 3.3Å; V946-S948 PolarHBondContact O-N 2.92Å; S948-N952 PolarHBondContact O-N 2.91Å; S948-N952 PolarHBondContact O-ND2 2.86Å |
| 949 | H | 82.3 | Confident | 74.6 | Confident | 46 Ų | 46 | 66.2 Ų | 66.2 | 21% | 0.213 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -66.3 | -39.8 | 174.8 | -71.5 | -88.3 | 0 | 0 | 0 | 111.2 | V946 S947 I951 N952 N953 K1023 | V946-H949 WeakPolarHBondContact O-CB 3.39Å; V946-H949 PolarHBondContact O-N 2.76Å; V946-H949 VanDerWaalsContact O-N 3.15Å; S947-H949 VanDerWaalsContact C-N 3.31Å; S947-H949 PolarHBondContact O-N 2.95Å; H949-I951 VanDerWaalsContact C-N 3.31Å; H949-I951 PolarHBondContact O-N 3.34Å; H949-N952 PolarHBondContact O-N 3.39Å; H949-N952 VanDerWaalsContact O-N 3.09Å; H949-N953 WeakPolarHBondContact O-CB 3.43Å; H949-N953 PolarHBondContact O-N 3.16Å; H949-N953 PolarHBondContact O-ND2 2.91Å; H949-N953 VanDerWaalsContact O-ND2 3.09Å; H949-N953 PolarHBondContact O-OD1 3.05Å; H949-K1023 PolarHBondContact ND1-O 2.98Å |
| 950 | W | 86.2 | Confident | 77 | Confident | 0 Ų | 0 | 62.9 Ų | 62.9 | 0% | 0 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -60.4 | -40.2 | -177.9 | -53.2 | -17.5 | 0 | 0 | 0 | 112.8 | V946 S947 N953 S954 M962 A963 Y1012 L1014 C1025 P1027 | V946-W950 HydrophobicContact CG1-CZ2 3.87Å; S947-W950 PolarHBondContact O-N 3.45Å; W950-N953 PolarHBondContact O-N 2.77Å; W950-S954 PolarHBondContact O-N 3.09Å; W950-M962 HydrophobicContact CE3-CB 4.42Å; W950-M962 HydrophobicContact CZ3-CB 4.28Å; W950-A963 HydrophobicContact CE3-CB 3.99Å; W950-Y1012 AromaticContact CH2-CD1 3.78Å; W950-Y1012 HydrophobicContact CH2-CD1 3.78Å; W950-Y1012 HydrophobicContact CH2-CG 4.42Å; W950-Y1012 HydrophobicContact CZ2-CD1 4.38Å; W950-L1014 HydrophobicContact CZ2-CD2 4.3Å; W950-C1025 VanDerWaalsContact CD1-O 3.32Å; W950-P1027 HydrophobicContact CD2-CB 4.08Å; W950-P1027 HydrophobicContact CD2-CG 3.83Å; W950-P1027 HydrophobicContact CE3-CB 4.11Å; W950-P1027 HydrophobicContact CE3-CG 3.87Å; W950-P1027 HydrophobicContact CG-CG 4.27Å; W950-P1027 HydrophobicContact CH2-CB 3.84Å; W950-P1027 HydrophobicContact CZ2-CB 3.8Å; W950-P1027 HydrophobicContact CZ2-CG 4.47Å; W950-P1027 HydrophobicContact CZ3-CB 4.01Å; W950-P1027 HydrophobicContact CZ3-CG 4.23Å |
| 951 | I | 85.1 | Confident | 79.5 | Confident | 50 Ų | 50 | 57.9 Ų | 57.9 | 26% | 0.256 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -65.8 | -37.9 | 176.4 | -62.3 | 166.4 | 0 | 0 | 0 | 111.5 | H949 A963 | H949-I951 VanDerWaalsContact C-N 3.31Å; H949-I951 PolarHBondContact O-N 3.34Å; I951-A963 HydrophobicContact CD1-CB 3.85Å; I951-A963 HydrophobicContact CG1-CB 3.71Å |
| 952 | N | 84.4 | Confident | 81.5 | Confident | 113 Ų | 113 | 53.2 Ų | 53.2 | 60% | 0.604 | 27% | 0.273 | S | S | * | . | H | α-helix | trans | -76.5 | -32 | -180 | -69 | -23.5 | 0 | 0 | 0 | 112.4 | S948 H949 | S948-N952 PolarHBondContact O-N 2.91Å; S948-N952 PolarHBondContact O-ND2 2.86Å; H949-N952 PolarHBondContact O-N 3.39Å; H949-N952 VanDerWaalsContact O-N 3.09Å |
| 953 | N | 83.7 | Confident | 83.2 | Confident | 56 Ų | 56 | 41.9 Ų | 41.9 | 30% | 0.299 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -87.8 | -20 | -172.3 | -64.3 | -19.8 | 0 | 0 | 0 | 114.1 | H949 W950 K1023 N1024 C1025 L1026 | H949-N953 WeakPolarHBondContact O-CB 3.43Å; H949-N953 PolarHBondContact O-N 3.16Å; H949-N953 PolarHBondContact O-ND2 2.91Å; H949-N953 VanDerWaalsContact O-ND2 3.09Å; H949-N953 PolarHBondContact O-OD1 3.05Å; W950-N953 PolarHBondContact O-N 2.77Å; N953-K1023 PolarHBondContact ND2-O 3.26Å; N953-K1023 PolarHBondContact OD1-O 2.81Å; N953-N1024 VanDerWaalsContact ND2-CA 3.31Å; N953-N1024 WeakPolarHBondContact ND2-CA 3.38Å; N953-C1025 PolarHBondContact ND2-N 2.84Å; N953-C1025 PolarHBondContact ND2-O 3.45Å; N953-L1026 HydrophobicContact CB-CD2 3.99Å |
| 954 | S | 82.6 | Confident | 84.8 | Confident | 16 Ų | 16 | 40.3 Ų | 40.3 | 11% | 0.112 | 22% | 0.217 | C | C | . | . | trans | -146.2 | 142.1 | -172.6 | -167.4 | 0 | 0 | 0 | 0 | 112.5 | W950 L956 H959 H960 | W950-S954 PolarHBondContact O-N 3.09Å; S954-L956 PolarHBondContact OG-N 3.44Å; S954-H959 WeakPolarHBondContact CB-ND1 3.4Å; S954-H959 PolarHBondContact OG-ND1 3.17Å; S954-H960 PolarHBondContact O-NE2 3.49Å | ||
| 955 | R | 86.1 | Confident | 86 | Confident | 184 Ų | 184 | 36.5 Ų | 36.5 | 69% | 0.694 | 20% | 0.201 | S | C | * | . | trans | -100.1 | 12.3 | 172.3 | -59.4 | -178.2 | 175.8 | -174.1 | -2.2 | 113.2 | L1253 | R955-L1253 HydrophobicContact CB-CD1 4.11Š| ||
| 956 | L | 89 | Confident | 87 | Confident | 4 Ų | 4 | 36.1 Ų | 36.1 | 2% | 0.021 | 19% | 0.192 | C | C | . | . | trans | -81.1 | 126.2 | 178.2 | -62.3 | 175.1 | 0 | 0 | 0 | 109.5 | S954 V958 H959 H960 V1070 L1253 | S954-L956 PolarHBondContact OG-N 3.44Å; L956-V958 VanDerWaalsContact C-N 3.26Å; L956-V958 PolarHBondContact O-N 2.97Å; L956-V958 VanDerWaalsContact O-N 3.11Å; L956-H959 PolarHBondContact O-N 2.93Å; L956-H960 PolarHBondContact O-CD2 3.32Å; L956-V1070 HydrophobicContact CD1-CG1 3.94Å; L956-V1070 HydrophobicContact CD1-CG2 3.98Å; L956-L1253 HydrophobicContact CD2-CD1 3.83Å; L956-L1253 HydrophobicContact CG-CD1 4.3Å | ||
| 957 | V | 91.2 | Very high | 87.6 | Confident | 2 Ų | 2 | 39.6 Ų | 39.6 | 1% | 0.012 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -48 | -46.4 | -171.4 | 177 | 0 | 0 | 0 | 0 | 112.5 | H959 H960 V961 A969 L972 L973 L1068 | V957-H959 VanDerWaalsContact C-N 3.28Å; V957-H959 PolarHBondContact O-N 3.14Å; V957-H960 WeakPolarHBondContact O-CB 3.42Å; V957-H960 PolarHBondContact O-N 3.39Å; V957-H960 VanDerWaalsContact O-N 3.07Å; V957-V961 HydrophobicContact CG1-CG2 4.22Å; V957-V961 WeakPolarHBondContact O-CG2 3.4Å; V957-V961 PolarHBondContact O-N 3.48Å; V957-A969 HydrophobicContact CG1-CB 4.09Å; V957-L972 HydrophobicContact CG2-CB 3.89Å; V957-L973 HydrophobicContact CB-CD2 4.49Å; V957-L973 HydrophobicContact CG1-CD1 3.96Å; V957-L973 HydrophobicContact CG1-CD2 4.02Å; V957-L973 HydrophobicContact CG1-CG 3.73Å; V957-L973 HydrophobicContact CG2-CD2 3.93Å; V957-L973 HydrophobicContact CG2-CG 3.99Å; V957-L1068 HydrophobicContact CG1-CD2 3.98Å |
| 958 | V | 90.7 | Very high | 88.2 | Confident | 9 Ų | 9 | 39.8 Ų | 39.8 | 6% | 0.055 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -60.2 | -33 | -177.1 | 66.5 | 0 | 0 | 0 | 0 | 113.5 | L956 H960 V961 M962 V1029 L1068 V1070 | L956-V958 VanDerWaalsContact C-N 3.26Å; L956-V958 PolarHBondContact O-N 2.97Å; L956-V958 VanDerWaalsContact O-N 3.11Å; V958-H960 VanDerWaalsContact C-N 3.35Å; V958-H960 PolarHBondContact O-N 2.95Å; V958-V961 PolarHBondContact O-N 2.82Å; V958-M962 HydrophobicContact CG2-CG 4.24Å; V958-M962 HydrophobicContact CG2-SD 4.33Å; V958-M962 WeakPolarHBondContact O-CB 3.47Å; V958-M962 VanDerWaalsContact O-CG 3.28Å; V958-M962 WeakPolarHBondContact O-CG 3.35Å; V958-M962 PolarHBondContact O-N 3.24Å; V958-V1029 HydrophobicContact CG1-CG2 4.1Å; V958-V1029 HydrophobicContact CG2-CG1 4.36Å; V958-L1068 HydrophobicContact CB-CB 4.37Å; V958-L1068 HydrophobicContact CB-CD2 4.29Å; V958-L1068 WeakPolarHBondContact CB-O 3.03Å; V958-L1068 HydrophobicContact CG2-CB 4.42Å; V958-V1070 HydrophobicContact CG1-CG2 3.47Å; V958-V1070 VanDerWaalsContact CG1-CG2 3.47Å |
| 959 | H | 90.7 | Very high | 88.6 | Confident | 7 Ų | 7 | 38.2 Ų | 38.2 | 3% | 0.032 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -68.6 | -35.1 | 177.2 | -63.1 | 146.9 | 0 | 0 | 0 | 112 | S954 L956 V957 A963 | S954-H959 WeakPolarHBondContact CB-ND1 3.4Å; S954-H959 PolarHBondContact OG-ND1 3.17Å; L956-H959 PolarHBondContact O-N 2.93Å; V957-H959 VanDerWaalsContact C-N 3.28Å; V957-H959 PolarHBondContact O-N 3.14Å; H959-A963 VanDerWaalsContact O-CB 3.32Å; H959-A963 WeakPolarHBondContact O-CB 3.4Å; H959-A963 PolarHBondContact O-N 3.45Å |
| 960 | H | 91.8 | Very high | 89.2 | Confident | 14 Ų | 14 | 39.5 Ų | 39.5 | 7% | 0.065 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -68.7 | -39.2 | 173 | -66.8 | -99.4 | 0 | 0 | 0 | 111.8 | S954 L956 V957 V958 A963 G964 S965 T968 A969 L972 | S954-H960 PolarHBondContact O-NE2 3.49Å; L956-H960 PolarHBondContact O-CD2 3.32Å; V957-H960 WeakPolarHBondContact O-CB 3.42Å; V957-H960 PolarHBondContact O-N 3.39Å; V957-H960 VanDerWaalsContact O-N 3.07Å; V958-H960 VanDerWaalsContact C-N 3.35Å; V958-H960 PolarHBondContact O-N 2.95Å; H960-A963 PolarHBondContact O-N 3.22Å; H960-G964 PolarHBondContact O-N 3.47Å; H960-S965 PolarHBondContact O-N 2.84Å; H960-T968 WeakPolarHBondContact ND1-CB 3.19Å; H960-T968 PolarHBondContact ND1-OG1 2.82Å; H960-A969 HydrophobicContact CB-CB 3.97Å; H960-L972 VanDerWaalsContact CD2-CD1 3.46Å; H960-L972 WeakPolarHBondContact CD2-CD1 3.48Å; H960-L972 WeakPolarHBondContact NE2-CD1 3.47Å |
| 961 | V | 91.9 | Very high | 89.4 | Confident | 1 Ų | 1 | 46 Ų | 46 | 1% | 0.006 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -62.1 | -49.6 | 173.8 | 173.6 | 0 | 0 | 0 | 0 | 111.1 | V957 V958 A963 G964 F966 A969 F989 L1068 | V957-V961 HydrophobicContact CG1-CG2 4.22Å; V957-V961 WeakPolarHBondContact O-CG2 3.4Å; V957-V961 PolarHBondContact O-N 3.48Å; V958-V961 PolarHBondContact O-N 2.82Å; V961-A963 VanDerWaalsContact C-N 3.27Å; V961-A963 PolarHBondContact O-N 3.24Å; V961-G964 PolarHBondContact O-N 2.76Å; V961-F966 HydrophobicContact CG1-CE1 4.19Å; V961-A969 HydrophobicContact CG2-CB 3.7Å; V961-F989 HydrophobicContact CG1-CB 4.05Å; V961-F989 HydrophobicContact CG1-CD1 4.12Å; V961-F989 HydrophobicContact CG1-CD2 4.34Å; V961-F989 HydrophobicContact CG1-CG 3.91Å; V961-F989 WeakPolarHBondContact CG1-O 3.4Å; V961-F989 HydrophobicContact CG2-CD1 3.92Å; V961-F989 HydrophobicContact CG2-CD2 3.88Å; V961-F989 HydrophobicContact CG2-CE1 3.7Å; V961-F989 HydrophobicContact CG2-CE2 3.63Å; V961-F989 HydrophobicContact CG2-CG 4Å; V961-F989 HydrophobicContact CG2-CZ 3.54Å; V961-L1068 HydrophobicContact CG2-CD2 4.36Å |
| 962 | M | 90.3 | Very high | 89.8 | Confident | 5 Ų | 5 | 45.2 Ų | 45.2 | 3% | 0.025 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -62.7 | -33 | 178 | -70.2 | -170.2 | 79.5 | 0 | 0 | 112.5 | W950 V958 G964 G992 S996 P1027 P1028 V1029 | W950-M962 HydrophobicContact CE3-CB 4.42Å; W950-M962 HydrophobicContact CZ3-CB 4.28Å; V958-M962 HydrophobicContact CG2-CG 4.24Å; V958-M962 HydrophobicContact CG2-SD 4.33Å; V958-M962 WeakPolarHBondContact O-CB 3.47Å; V958-M962 VanDerWaalsContact O-CG 3.28Å; V958-M962 WeakPolarHBondContact O-CG 3.35Å; V958-M962 PolarHBondContact O-N 3.24Å; M962-G964 VanDerWaalsContact C-N 3.26Å; M962-G964 PolarHBondContact O-N 2.71Å; M962-G992 WeakPolarHBondContact CG-O 3.18Å; M962-S996 WeakPolarHBondContact O-CB 3.43Å; M962-S996 PolarHBondContact O-OG 3.4Å; M962-P1027 HydrophobicContact CB-CG 4.12Å; M962-P1027 HydrophobicContact CE-CB 3.77Å; M962-P1027 HydrophobicContact CE-CG 4.25Å; M962-P1027 HydrophobicContact SD-CB 3.95Å; M962-P1027 HydrophobicContact SD-CG 3.74Å; M962-P1028 WeakPolarHBondContact CE-O 3.43Å; M962-V1029 HydrophobicContact SD-CG2 4.43Å |
| 963 | A | 88.5 | Confident | 90.1 | Very high | 14 Ų | 14 | 39.9 Ų | 39.9 | 12% | 0.116 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -72.1 | -14.9 | 173.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | S947 W950 I951 H959 H960 V961 | S947-A963 WeakPolarHBondContact O-CB 3.41Å; W950-A963 HydrophobicContact CE3-CB 3.99Å; I951-A963 HydrophobicContact CD1-CB 3.85Å; I951-A963 HydrophobicContact CG1-CB 3.71Å; H959-A963 VanDerWaalsContact O-CB 3.32Å; H959-A963 WeakPolarHBondContact O-CB 3.4Å; H959-A963 PolarHBondContact O-N 3.45Å; H960-A963 PolarHBondContact O-N 3.22Å; V961-A963 VanDerWaalsContact C-N 3.27Å; V961-A963 PolarHBondContact O-N 3.24Å |
| 964 | G | 89.1 | Confident | 90.6 | Very high | 28 Ų | 28 | 40.5 Ų | 40.5 | 29% | 0.289 | 19% | 0.193 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 83.7 | 7.9 | -174 | 0 | 0 | 0 | 0 | 0 | 114.6 | H960 V961 M962 F966 | H960-G964 PolarHBondContact O-N 3.47Å; V961-G964 PolarHBondContact O-N 2.76Å; M962-G964 VanDerWaalsContact C-N 3.26Å; M962-G964 PolarHBondContact O-N 2.71Å; G964-F966 VanDerWaalsContact C-N 3.28Å; G964-F966 PolarHBondContact O-N 2.66Å; G964-F966 VanDerWaalsContact O-N 3.11Å |
| 965 | S | 90.8 | Very high | 91 | Very high | 34 Ų | 34 | 44.3 Ų | 44.3 | 24% | 0.238 | 21% | 0.211 | C | C | . | . | trans | -89.5 | 61.6 | -179 | -167.4 | 0 | 0 | 0 | 0 | 111.4 | H960 E967 T968 A969 | H960-S965 PolarHBondContact O-N 2.84Å; S965-E967 PolarHBondContact O-N 2.72Å; S965-T968 WeakPolarHBondContact CB-OG1 3.34Å; S965-T968 PolarHBondContact O-N 2.75Å; S965-T968 VanDerWaalsContact O-N 3.1Å; S965-T968 PolarHBondContact O-OG1 2.91Å; S965-T968 PolarHBondContact OG-OG1 2.82Å; S965-A969 PolarHBondContact O-N 2.75Å | ||
| 966 | F | 92.1 | Very high | 91.2 | Very high | 67 Ų | 67 | 36.2 Ų | 36.2 | 29% | 0.294 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -58.3 | -34.2 | -173.1 | -57.1 | -48.8 | 0 | 0 | 0 | 113.3 | V961 G964 T968 A969 F970 F989 Y993 | V961-F966 HydrophobicContact CG1-CE1 4.19Å; G964-F966 VanDerWaalsContact C-N 3.28Å; G964-F966 PolarHBondContact O-N 2.66Å; G964-F966 VanDerWaalsContact O-N 3.11Å; F966-T968 VanDerWaalsContact C-N 3.33Å; F966-T968 PolarHBondContact O-N 2.89Å; F966-A969 WeakPolarHBondContact O-CB 3.2Å; F966-A969 PolarHBondContact O-N 2.92Å; F966-A969 VanDerWaalsContact O-N 3.16Å; F966-F970 HydrophobicContact CB-CE2 4.31Å; F966-F970 HydrophobicContact CB-CZ 4.24Å; F966-F970 WeakPolarHBondContact O-CD2 3.33Å; F966-F970 WeakPolarHBondContact O-CG 3.49Å; F966-F970 PolarHBondContact O-N 3.21Å; F966-F989 HydrophobicContact CD1-CB 4.41Å; F966-F989 AromaticContact CD1-CD2 3.56Å; F966-F989 HydrophobicContact CD1-CD2 3.56Å; F966-F989 HydrophobicContact CD1-CE2 4.25Å; F966-F989 HydrophobicContact CD1-CG 4.38Å; F966-F989 HydrophobicContact CE1-CB 4.11Å; F966-F989 HydrophobicContact CE1-CD2 4.1Å; F966-F989 HydrophobicContact CG-CD2 4.3Å; F966-Y993 HydrophobicContact CZ-CG 4.25Å |
| 967 | E | 91.2 | Very high | 91.3 | Very high | 127 Ų | 127 | 36.1 Ų | 36.1 | 59% | 0.593 | 18% | 0.181 | S | C | * | . | H | α-helix | trans | -58.7 | -43.2 | 176.7 | -163 | -152 | 136.4 | 0 | 0 | 112.2 | S965 F970 R971 | S965-E967 PolarHBondContact O-N 2.72Å; E967-F970 PolarHBondContact O-N 2.78Å; E967-R971 PolarHBondContact O-N 2.81Å; E967-R971 VanDerWaalsContact O-N 3.14Å; E967-R971 IonicContact OE1-CZ 2.62Å; E967-R971 IonicContact OE1-NE 2.74Å; E967-R971 PolarHBondContact OE1-NE 2.86Å; E967-R971 IonicContact OE1-NH2 3.9Å; E967-R971 PolarHBondContact OE1-NH2 2.82Å |
| 968 | T | 91.6 | Very high | 91.2 | Very high | 26 Ų | 26 | 36 Ų | 36 | 16% | 0.16 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -71.8 | -33.8 | 176.4 | 57.1 | 0 | 0 | 0 | 0 | 112.5 | H960 S965 F966 L972 | H960-T968 WeakPolarHBondContact ND1-CB 3.19Å; H960-T968 PolarHBondContact ND1-OG1 2.82Å; S965-T968 WeakPolarHBondContact CB-OG1 3.34Å; S965-T968 PolarHBondContact O-N 2.75Å; S965-T968 VanDerWaalsContact O-N 3.1Å; S965-T968 PolarHBondContact O-OG1 2.91Å; S965-T968 PolarHBondContact OG-OG1 2.82Å; F966-T968 VanDerWaalsContact C-N 3.33Å; F966-T968 PolarHBondContact O-N 2.89Å; T968-L972 WeakPolarHBondContact O-CG 3.36Å; T968-L972 PolarHBondContact O-N 3.2Å; T968-L972 VanDerWaalsContact O-N 3.12Å |
| 969 | A | 92 | Very high | 91.3 | Very high | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -64.9 | -39.8 | 173 | 0 | 0 | 0 | 0 | 0 | 112 | V957 H960 V961 S965 F966 L972 L973 F989 | V957-A969 HydrophobicContact CG1-CB 4.09Å; H960-A969 HydrophobicContact CB-CB 3.97Å; V961-A969 HydrophobicContact CG2-CB 3.7Å; S965-A969 PolarHBondContact O-N 2.75Å; F966-A969 WeakPolarHBondContact O-CB 3.2Å; F966-A969 PolarHBondContact O-N 2.92Å; F966-A969 VanDerWaalsContact O-N 3.16Å; A969-L972 PolarHBondContact O-N 2.9Å; A969-L973 WeakPolarHBondContact O-CG 3.22Å; A969-L973 PolarHBondContact O-N 2.85Å; A969-F989 HydrophobicContact CB-CE2 3.94Å; A969-F989 HydrophobicContact CB-CZ 4.16Å |
| 970 | F | 93.5 | Very high | 91.4 | Very high | 73 Ų | 73 | 38.7 Ų | 38.7 | 32% | 0.32 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -64.8 | -45 | 176.5 | -64.9 | -23.8 | 0 | 0 | 0 | 112.2 | F966 E967 L972 L973 H974 F982 F989 | F966-F970 HydrophobicContact CB-CE2 4.31Å; F966-F970 HydrophobicContact CB-CZ 4.24Å; F966-F970 WeakPolarHBondContact O-CD2 3.33Å; F966-F970 WeakPolarHBondContact O-CG 3.49Å; F966-F970 PolarHBondContact O-N 3.21Å; E967-F970 PolarHBondContact O-N 2.78Å; F970-L972 PolarHBondContact O-N 2.93Å; F970-L973 PolarHBondContact O-N 2.84Å; F970-H974 WeakPolarHBondContact O-CB 3.32Å; F970-H974 PolarHBondContact O-N 3.46Å; F970-F982 HydrophobicContact CB-CD1 4.13Å; F970-F982 HydrophobicContact CB-CE1 3.68Å; F970-F982 HydrophobicContact CB-CE2 4.26Å; F970-F982 HydrophobicContact CB-CZ 3.76Å; F970-F982 HydrophobicContact CD1-CB 4.22Å; F970-F982 AromaticContact CD1-CD1 3.22Å; F970-F982 HydrophobicContact CD1-CD1 3.22Å; F970-F982 AromaticContact CD1-CE1 3.63Å; F970-F982 HydrophobicContact CD1-CE1 3.63Å; F970-F982 AromaticContact CD1-CG 3.74Å; F970-F982 HydrophobicContact CD1-CG 3.74Å; F970-F982 HydrophobicContact CD1-CZ 4.43Å; F970-F982 HydrophobicContact CE1-CB 3.89Å; F970-F982 AromaticContact CE1-CD1 3.72Å; F970-F982 HydrophobicContact CE1-CD1 3.72Å; F970-F982 AromaticContact CE1-CG 3.94Å; F970-F982 HydrophobicContact CE1-CG 3.94Å; F970-F982 AromaticContact CG-CD1 3.81Å; F970-F982 HydrophobicContact CG-CD1 3.81Å; F970-F982 HydrophobicContact CG-CD2 4.45Å; F970-F982 AromaticContact CG-CE1 3.9Å; F970-F982 HydrophobicContact CG-CE1 3.9Å; F970-F982 HydrophobicContact CG-CG 4.09Å; F970-F982 HydrophobicContact CG-CZ 4.28Å; F970-F982 HydrophobicContact CZ-CB 4.21Å; F970-F982 HydrophobicContact CZ-CG 4.48Å; F970-F982 WeakPolarHBondContact O-CZ 3.28Å; F970-F989 AromaticContact CD1-CE2 3.69Å; F970-F989 HydrophobicContact CD1-CE2 3.69Å; F970-F989 HydrophobicContact CD1-CZ 4.24Å; F970-F989 AromaticContact CE1-CD2 3.86Å; F970-F989 HydrophobicContact CE1-CD2 3.86Å; F970-F989 AromaticContact CE1-CE2 3.33Å; F970-F989 HydrophobicContact CE1-CE2 3.33Å; F970-F989 HydrophobicContact CE1-CZ 4.12Å; F970-F989 HydrophobicContact CZ-CE2 4.32Å |
| 971 | R | 92.2 | Very high | 91.4 | Very high | 137 Ų | 137 | 40.6 Ų | 40.6 | 52% | 0.517 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -58.8 | -46.9 | 175.1 | -72.8 | -169.9 | -101.6 | 135.3 | -11.6 | 111.8 | E967 L973 H974 D975 | E967-R971 PolarHBondContact O-N 2.81Å; E967-R971 VanDerWaalsContact O-N 3.14Å; E967-R971 IonicContact OE1-CZ 2.62Å; E967-R971 IonicContact OE1-NE 2.74Å; E967-R971 PolarHBondContact OE1-NE 2.86Å; E967-R971 IonicContact OE1-NH2 3.9Å; E967-R971 PolarHBondContact OE1-NH2 2.82Å; R971-L973 PolarHBondContact O-N 2.83Å; R971-H974 WeakPolarHBondContact O-CB 3.3Å; R971-H974 PolarHBondContact O-N 2.87Å; R971-D975 PolarHBondContact O-N 3.16Å; R971-D975 VanDerWaalsContact O-N 3.08Å |
| 972 | L | 91.7 | Very high | 91.4 | Very high | 32 Ų | 32 | 42.9 Ų | 42.9 | 17% | 0.168 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -60.5 | -43.9 | 177 | -72 | 169 | 0 | 0 | 0 | 112.9 | V957 H960 T968 A969 F970 H974 D975 Q976 | V957-L972 HydrophobicContact CG2-CB 3.89Å; H960-L972 VanDerWaalsContact CD2-CD1 3.46Å; H960-L972 WeakPolarHBondContact CD2-CD1 3.48Å; H960-L972 WeakPolarHBondContact NE2-CD1 3.47Å; T968-L972 WeakPolarHBondContact O-CG 3.36Å; T968-L972 PolarHBondContact O-N 3.2Å; T968-L972 VanDerWaalsContact O-N 3.12Å; A969-L972 PolarHBondContact O-N 2.9Å; F970-L972 PolarHBondContact O-N 2.93Å; L972-H974 VanDerWaalsContact C-N 3.33Å; L972-H974 PolarHBondContact O-N 3.41Å; L972-D975 PolarHBondContact O-N 2.91Å; L972-Q976 WeakPolarHBondContact O-CB 3.37Å; L972-Q976 VanDerWaalsContact O-CD 3.3Å; L972-Q976 WeakPolarHBondContact O-CG 3.47Å; L972-Q976 PolarHBondContact O-N 2.86Å |
| 973 | L | 92.5 | Very high | 91.5 | Very high | 1 Ų | 1 | 46.6 Ų | 46.6 | 1% | 0.005 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -66.1 | -33.1 | 176.6 | -77.2 | 174.4 | 0 | 0 | 0 | 113.3 | V957 A969 F970 R971 I977 G978 V979 F982 F985 F989 P1067 | V957-L973 HydrophobicContact CB-CD2 4.49Å; V957-L973 HydrophobicContact CG1-CD1 3.96Å; V957-L973 HydrophobicContact CG1-CD2 4.02Å; V957-L973 HydrophobicContact CG1-CG 3.73Å; V957-L973 HydrophobicContact CG2-CD2 3.93Å; V957-L973 HydrophobicContact CG2-CG 3.99Å; A969-L973 WeakPolarHBondContact O-CG 3.22Å; A969-L973 PolarHBondContact O-N 2.85Å; F970-L973 PolarHBondContact O-N 2.84Å; R971-L973 PolarHBondContact O-N 2.83Å; L973-I977 HydrophobicContact CD2-CD1 3.89Å; L973-I977 HydrophobicContact CD2-CG1 4.28Å; L973-I977 WeakPolarHBondContact O-CG1 3.47Å; L973-I977 PolarHBondContact O-N 2.74Å; L973-I977 VanDerWaalsContact O-N 3.13Å; L973-G978 PolarHBondContact O-N 2.71Å; L973-V979 HydrophobicContact CB-CB 4.15Å; L973-V979 HydrophobicContact CB-CG2 3.86Å; L973-V979 PolarHBondContact O-N 2.64Å; L973-F982 HydrophobicContact CB-CE1 4.1Å; L973-F982 HydrophobicContact CD1-CE1 4.4Å; L973-F985 HydrophobicContact CD1-CE1 4.47Å; L973-F985 HydrophobicContact CD1-CE2 4.31Å; L973-F985 HydrophobicContact CD1-CZ 4.3Å; L973-F989 HydrophobicContact CD1-CE1 4.23Å; L973-F989 HydrophobicContact CD1-CZ 3.72Å; L973-P1067 HydrophobicContact CD2-CB 3.96Å |
| 974 | H | 92.7 | Very high | 91.6 | Very high | 70 Ų | 70 | 47.5 Ų | 47.5 | 32% | 0.324 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -63.8 | -46.9 | 174.3 | -166.7 | 85.4 | 0 | 0 | 0 | 111.3 | F970 R971 L972 G978 V979 K1241 | F970-H974 WeakPolarHBondContact O-CB 3.32Å; F970-H974 PolarHBondContact O-N 3.46Å; R971-H974 WeakPolarHBondContact O-CB 3.3Å; R971-H974 PolarHBondContact O-N 2.87Å; L972-H974 VanDerWaalsContact C-N 3.33Å; L972-H974 PolarHBondContact O-N 3.41Å; H974-G978 WeakPolarHBondContact O-CA 3.16Å; H974-G978 PolarHBondContact O-N 3.39Å; H974-G978 VanDerWaalsContact O-N 3.09Å; H974-V979 PolarHBondContact ND1-O 3.31Å; H974-K1241 PolarHBondContact CE1-NZ 3.01Å; H974-K1241 PolarHBondContact NE2-NZ 2.9Å |
| 975 | D | 90.5 | Very high | 91.7 | Very high | 95 Ų | 95 | 46.2 Ų | 46.2 | 51% | 0.508 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -74.7 | -35.1 | -177.4 | -61.5 | -19.2 | 0 | 0 | 0 | 112.7 | R971 L972 V1244 | R971-D975 PolarHBondContact O-N 3.16Å; R971-D975 VanDerWaalsContact O-N 3.08Å; L972-D975 PolarHBondContact O-N 2.91Å; D975-V1244 PolarHBondContact O-N 3.34Å |
| 976 | Q | 90.5 | Very high | 91.7 | Very high | 15 Ų | 15 | 53.1 Ų | 53.1 | 7% | 0.07 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -78.9 | -51.3 | -176.4 | -71 | 165.4 | 14.7 | 0 | 0 | 112.7 | L972 C1243 G1245 T1247 | L972-Q976 WeakPolarHBondContact O-CB 3.37Å; L972-Q976 VanDerWaalsContact O-CD 3.3Å; L972-Q976 WeakPolarHBondContact O-CG 3.47Å; L972-Q976 PolarHBondContact O-N 2.86Å; Q976-C1243 VanDerWaalsContact O-CB 3.26Å; Q976-C1243 WeakPolarHBondContact O-CB 3.37Å; Q976-G1245 CarbonylContact O-C 3.39Å; Q976-G1245 VanDerWaalsContact O-C 3.31Å; Q976-G1245 VanDerWaalsContact O-CA 3.26Å; Q976-G1245 WeakPolarHBondContact O-CA 3.31Å; Q976-G1245 PolarHBondContact O-N 3.18Å; Q976-T1247 PolarHBondContact NE2-OG1 3.13Å; Q976-T1247 VanDerWaalsContact NE2-OG1 3.1Å; Q976-T1247 PolarHBondContact OE1-OG1 3.46Å |
| 977 | I | 91.3 | Very high | 91.6 | Very high | 2 Ų | 2 | 55.8 Ų | 55.8 | 1% | 0.01 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -132.2 | 12.6 | -170.4 | 67.3 | 175 | 0 | 0 | 0 | 113.4 | L973 V979 P1067 F1217 S1237 L1246 | L973-I977 HydrophobicContact CD2-CD1 3.89Å; L973-I977 HydrophobicContact CD2-CG1 4.28Å; L973-I977 WeakPolarHBondContact O-CG1 3.47Å; L973-I977 PolarHBondContact O-N 2.74Å; L973-I977 VanDerWaalsContact O-N 3.13Å; I977-V979 HydrophobicContact CD1-CG2 3.95Å; I977-V979 HydrophobicContact CG1-CG2 3.72Å; I977-P1067 HydrophobicContact CD1-CB 4.14Å; I977-P1067 HydrophobicContact CD1-CG 3.71Å; I977-F1217 HydrophobicContact CB-CB 4.03Å; I977-F1217 HydrophobicContact CB-CD2 4.22Å; I977-F1217 HydrophobicContact CB-CG 4.32Å; I977-F1217 HydrophobicContact CD1-CB 4.39Å; I977-F1217 HydrophobicContact CD1-CD1 4.23Å; I977-F1217 HydrophobicContact CD1-CD2 3.69Å; I977-F1217 HydrophobicContact CD1-CE1 4.47Å; I977-F1217 HydrophobicContact CD1-CE2 3.97Å; I977-F1217 HydrophobicContact CD1-CG 3.85Å; I977-F1217 HydrophobicContact CD1-CZ 4.35Å; I977-F1217 HydrophobicContact CG1-CB 4.49Å; I977-F1217 HydrophobicContact CG1-CD2 4.48Å; I977-F1217 HydrophobicContact CG1-CG 4.46Å; I977-F1217 HydrophobicContact CG2-CD2 4.3Å; I977-S1237 VanDerWaalsContact O-CB 3.3Å; I977-S1237 WeakPolarHBondContact O-CB 3.34Å; I977-S1237 PolarHBondContact O-OG 2.76Å; I977-L1246 HydrophobicContact CG2-CB 4.37Å; I977-L1246 HydrophobicContact CG2-CD1 4.36Å |
| 978 | G | 90.2 | Very high | 91.5 | Very high | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 25% | 0.251 | C | S | . | . | trans | 74.1 | 26.8 | 170.2 | 0 | 0 | 0 | 0 | 0 | 115.6 | L973 H974 V980 S1237 E1238 C1243 | L973-G978 PolarHBondContact O-N 2.71Å; H974-G978 WeakPolarHBondContact O-CA 3.16Å; H974-G978 PolarHBondContact O-N 3.39Å; H974-G978 VanDerWaalsContact O-N 3.09Å; G978-V980 PolarHBondContact O-N 2.73Å; G978-S1237 VanDerWaalsContact O-CA 3.3Å; G978-S1237 WeakPolarHBondContact O-CA 3.37Å; G978-E1238 PolarHBondContact O-N 3.47Å; G978-C1243 WeakPolarHBondContact CA-SG 3.17Å; G978-C1243 PolarHBondContact N-SG 2.76Å; G978-C1243 VanDerWaalsContact N-SG 3.4Å | ||
| 979 | V | 92.3 | Very high | 91.6 | Very high | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 25% | 0.245 | C | C | . | . | B | Isolated β-bridge | trans | -64 | 128.1 | -179.8 | -177.4 | 0 | 0 | 0 | 0 | 111.5 | L973 H974 I977 F982 F985 V1236 | L973-V979 HydrophobicContact CB-CB 4.15Å; L973-V979 HydrophobicContact CB-CG2 3.86Å; L973-V979 PolarHBondContact O-N 2.64Å; H974-V979 PolarHBondContact ND1-O 3.31Å; I977-V979 HydrophobicContact CD1-CG2 3.95Å; I977-V979 HydrophobicContact CG1-CG2 3.72Å; V979-F982 HydrophobicContact CB-CD1 4.36Å; V979-F982 HydrophobicContact CB-CE1 3.72Å; V979-F982 HydrophobicContact CB-CZ 3.95Å; V979-F982 HydrophobicContact CG1-CD1 3.48Å; V979-F982 VanDerWaalsContact CG1-CD1 3.48Å; V979-F982 HydrophobicContact CG1-CD2 4.34Å; V979-F982 HydrophobicContact CG1-CE1 3.32Å; V979-F982 HydrophobicContact CG1-CE2 4.2Å; V979-F982 HydrophobicContact CG1-CG 4.01Å; V979-F982 HydrophobicContact CG1-CZ 3.71Å; V979-F985 HydrophobicContact CG1-CD2 4.48Å; V979-F985 HydrophobicContact CG1-CE2 4.14Å; V979-F985 HydrophobicContact CG2-CE2 3.99Å; V979-V1236 WeakPolarHBondContact CA-O 3.3Å; V979-V1236 HydrophobicContact CG1-CB 4.12Å; V979-V1236 HydrophobicContact CG2-CB 4.46Å; V979-V1236 HydrophobicContact CG2-CG2 4.43Å |
| 980 | V | 92 | Very high | 91.5 | Very high | 72 Ų | 72 | 54.5 Ų | 54.5 | 44% | 0.436 | 27% | 0.268 | S | S | . | . | trans | -117.6 | -39.2 | 172.6 | 179.8 | 0 | 0 | 0 | 0 | 110.5 | G978 V1236 E1238 | G978-V980 PolarHBondContact O-N 2.73Å; V980-V1236 PolarHBondContact N-O 3.44Å; V980-E1238 HydrophobicContact CG2-CB 3.97Å | ||
| 981 | N | 92.4 | Very high | 91.3 | Very high | 54 Ų | 54 | 55 Ų | 55 | 29% | 0.289 | 27% | 0.272 | S | S | . | . | trans | -96.1 | 105.8 | 174.7 | 176.1 | 22.5 | 0 | 0 | 0 | 111 | S983 Q1235 V1236 | N981-S983 PolarHBondContact ND2-OG 2.77Å; N981-S983 WeakPolarHBondContact OD1-CB 3.48Å; N981-S983 PolarHBondContact OD1-N 3.49Å; N981-S983 VanDerWaalsContact OD1-N 3.13Å; N981-S983 PolarHBondContact OD1-OG 3.43Å; N981-Q1235 PolarHBondContact ND2-O 2.98Å; N981-V1236 PolarHBondContact N-O 2.97Å; N981-V1236 VanDerWaalsContact N-O 3.11Å; N981-V1236 WeakPolarHBondContact O-CG1 3.32Å | ||
| 982 | F | 91.7 | Very high | 91.1 | Very high | 48 Ų | 48 | 49.1 Ų | 49.1 | 21% | 0.211 | 25% | 0.254 | C | S | . | . | trans | -88.7 | -7.5 | 179.6 | -64.2 | -81.2 | 0 | 0 | 0 | 114.4 | F970 L973 V979 P984 F985 | F970-F982 HydrophobicContact CB-CD1 4.13Å; F970-F982 HydrophobicContact CB-CE1 3.68Å; F970-F982 HydrophobicContact CB-CE2 4.26Å; F970-F982 HydrophobicContact CB-CZ 3.76Å; F970-F982 HydrophobicContact CD1-CB 4.22Å; F970-F982 AromaticContact CD1-CD1 3.22Å; F970-F982 HydrophobicContact CD1-CD1 3.22Å; F970-F982 AromaticContact CD1-CE1 3.63Å; F970-F982 HydrophobicContact CD1-CE1 3.63Å; F970-F982 AromaticContact CD1-CG 3.74Å; F970-F982 HydrophobicContact CD1-CG 3.74Å; F970-F982 HydrophobicContact CD1-CZ 4.43Å; F970-F982 HydrophobicContact CE1-CB 3.89Å; F970-F982 AromaticContact CE1-CD1 3.72Å; F970-F982 HydrophobicContact CE1-CD1 3.72Å; F970-F982 AromaticContact CE1-CG 3.94Å; F970-F982 HydrophobicContact CE1-CG 3.94Å; F970-F982 AromaticContact CG-CD1 3.81Å; F970-F982 HydrophobicContact CG-CD1 3.81Å; F970-F982 HydrophobicContact CG-CD2 4.45Å; F970-F982 AromaticContact CG-CE1 3.9Å; F970-F982 HydrophobicContact CG-CE1 3.9Å; F970-F982 HydrophobicContact CG-CG 4.09Å; F970-F982 HydrophobicContact CG-CZ 4.28Å; F970-F982 HydrophobicContact CZ-CB 4.21Å; F970-F982 HydrophobicContact CZ-CG 4.48Å; F970-F982 WeakPolarHBondContact O-CZ 3.28Å; L973-F982 HydrophobicContact CB-CE1 4.1Å; L973-F982 HydrophobicContact CD1-CE1 4.4Å; V979-F982 HydrophobicContact CB-CD1 4.36Å; V979-F982 HydrophobicContact CB-CE1 3.72Å; V979-F982 HydrophobicContact CB-CZ 3.95Å; V979-F982 HydrophobicContact CG1-CD1 3.48Å; V979-F982 VanDerWaalsContact CG1-CD1 3.48Å; V979-F982 HydrophobicContact CG1-CD2 4.34Å; V979-F982 HydrophobicContact CG1-CE1 3.32Å; V979-F982 HydrophobicContact CG1-CE2 4.2Å; V979-F982 HydrophobicContact CG1-CG 4.01Å; V979-F982 HydrophobicContact CG1-CZ 3.71Å; F982-P984 VanDerWaalsContact C-CD 3.46Å; F982-F985 PolarHBondContact O-N 3.32Å; F982-F985 VanDerWaalsContact O-N 3.11Å | ||
| 983 | S | 91.9 | Very high | 91 | Very high | 83 Ų | 83 | 51.1 Ų | 51.1 | 58% | 0.58 | 26% | 0.26 | S | S | * | . | G | 310 helix | trans | -57.7 | -36.9 | -176.5 | 61.7 | 0 | 0 | 0 | 0 | 114.8 | N981 F985 R986 | N981-S983 PolarHBondContact ND2-OG 2.77Å; N981-S983 WeakPolarHBondContact OD1-CB 3.48Å; N981-S983 PolarHBondContact OD1-N 3.49Å; N981-S983 VanDerWaalsContact OD1-N 3.13Å; N981-S983 PolarHBondContact OD1-OG 3.43Å; S983-F985 VanDerWaalsContact C-N 3.26Å; S983-F985 PolarHBondContact O-N 2.62Å; S983-R986 WeakPolarHBondContact O-CB 3.39Å; S983-R986 PolarHBondContact O-N 2.98Å |
| 984 | P | 91.7 | Very high | 90.7 | Very high | 33 Ų | 33 | 54.3 Ų | 54.3 | 21% | 0.214 | 28% | 0.282 | C | S | . | . | G | 310 helix | trans | -67.5 | -23.7 | 177.9 | -22.7 | 37.6 | 0 | 0 | 0 | 113.8 | F982 R986 L1064 Q1235 V1236 | F982-P984 VanDerWaalsContact C-CD 3.46Å; P984-R986 VanDerWaalsContact C-N 3.3Å; P984-R986 PolarHBondContact O-N 3.1Å; P984-L1064 HydrophobicContact CB-CD1 3.58Å; P984-Q1235 HydrophobicContact CG-CB 4.47Å; P984-V1236 HydrophobicContact CB-CG1 3.96Å; P984-V1236 HydrophobicContact CG-CG1 3.7Å |
| 985 | F | 90.9 | Very high | 90.3 | Very high | 1 Ų | 1 | 56.2 Ų | 56.2 | 0% | 0.004 | 29% | 0.287 | C | S | . | . | G | 310 helix | trans | -77.9 | -9.3 | 179.8 | -77.6 | -75.7 | 0 | 0 | 0 | 114 | L973 V979 F982 S983 N987 H988 F989 L1064 V1236 | L973-F985 HydrophobicContact CD1-CE1 4.47Å; L973-F985 HydrophobicContact CD1-CE2 4.31Å; L973-F985 HydrophobicContact CD1-CZ 4.3Å; V979-F985 HydrophobicContact CG1-CD2 4.48Å; V979-F985 HydrophobicContact CG1-CE2 4.14Å; V979-F985 HydrophobicContact CG2-CE2 3.99Å; F982-F985 PolarHBondContact O-N 3.32Å; F982-F985 VanDerWaalsContact O-N 3.11Å; S983-F985 VanDerWaalsContact C-N 3.26Å; S983-F985 PolarHBondContact O-N 2.62Å; F985-N987 PolarHBondContact O-N 2.84Å; F985-H988 PolarHBondContact O-N 3.36Å; F985-F989 HydrophobicContact CB-CD1 3.86Å; F985-F989 HydrophobicContact CB-CE1 3.79Å; F985-F989 HydrophobicContact CB-CG 4.49Å; F985-F989 HydrophobicContact CB-CZ 4.38Å; F985-F989 HydrophobicContact CD1-CD1 4.35Å; F985-F989 AromaticContact CD1-CE1 3.83Å; F985-F989 HydrophobicContact CD1-CE1 3.83Å; F985-F989 HydrophobicContact CG-CE1 4.03Å; F985-F989 WeakPolarHBondContact O-CB 3.33Å; F985-F989 WeakPolarHBondContact O-CD1 3.4Å; F985-F989 PolarHBondContact O-N 2.91Å; F985-L1064 HydrophobicContact CD2-CD2 4.47Å; F985-L1064 HydrophobicContact CE1-CB 4.35Å; F985-L1064 HydrophobicContact CE1-CD2 4.01Å; F985-L1064 WeakPolarHBondContact CE1-O 3.4Å; F985-L1064 HydrophobicContact CE2-CD2 3.96Å; F985-L1064 HydrophobicContact CZ-CD2 3.71Å; F985-V1236 HydrophobicContact CD2-CG1 4.06Å; F985-V1236 HydrophobicContact CE2-CB 4.01Å; F985-V1236 HydrophobicContact CE2-CG1 3.73Å; F985-V1236 HydrophobicContact CE2-CG2 4.17Å |
| 986 | R | 91.2 | Very high | 90.1 | Very high | 179 Ų | 179 | 51.8 Ų | 51.8 | 68% | 0.675 | 26% | 0.263 | S | S | * | . | H | α-helix | trans | -52.8 | -48.2 | -171.9 | -178 | -179.1 | 179.8 | -168.8 | -0.2 | 113.1 | S983 P984 F989 I990 | S983-R986 WeakPolarHBondContact O-CB 3.39Å; S983-R986 PolarHBondContact O-N 2.98Å; P984-R986 VanDerWaalsContact C-N 3.3Å; P984-R986 PolarHBondContact O-N 3.1Å; R986-F989 PolarHBondContact O-N 2.91Å; R986-I990 HydrophobicContact CG-CD1 3.93Å; R986-I990 WeakPolarHBondContact O-CG1 3.33Å; R986-I990 PolarHBondContact O-N 3.03Å |
| 987 | N | 90.2 | Very high | 89.8 | Confident | 123 Ų | 123 | 55 Ų | 55 | 66% | 0.658 | 27% | 0.274 | S | S | * | . | H | α-helix | trans | -70.6 | -43.8 | -176.2 | -69.9 | -11 | 0 | 0 | 0 | 111.4 | F985 F989 I990 M991 | F985-N987 PolarHBondContact O-N 2.84Å; N987-F989 VanDerWaalsContact C-N 3.29Å; N987-F989 PolarHBondContact O-N 2.86Å; N987-I990 PolarHBondContact O-N 3.04Å; N987-M991 VanDerWaalsContact O-CB 3.3Å; N987-M991 WeakPolarHBondContact O-CB 3.48Å; N987-M991 PolarHBondContact O-N 2.91Å |
| 988 | H | 89.7 | Confident | 89.5 | Confident | 27 Ų | 27 | 58.8 Ų | 58.8 | 13% | 0.125 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -59.9 | -39.1 | 174.7 | -56.4 | 68 | 0 | 0 | 0 | 111.9 | F985 G992 A1061 S1065 L1068 | F985-H988 PolarHBondContact O-N 3.36Å; H988-G992 PolarHBondContact O-N 2.83Å; H988-A1061 PolarHBondContact NE2-O 2.87Å; H988-A1061 VanDerWaalsContact NE2-O 3.14Å; H988-S1065 PolarHBondContact CD2-OG 2.78Å; H988-S1065 PolarHBondContact NE2-OG 3.04Å; H988-L1068 HydrophobicContact CB-CD1 3.7Å |
| 989 | F | 92.3 | Very high | 89.2 | Confident | 7 Ų | 7 | 62.2 Ų | 62.2 | 3% | 0.031 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -70.3 | -44.9 | -179.9 | -85.3 | 35.6 | 0 | 0 | 0 | 112.5 | V961 F966 A969 F970 L973 F985 R986 N987 M991 G992 Y993 L1068 | V961-F989 HydrophobicContact CG1-CB 4.05Å; V961-F989 HydrophobicContact CG1-CD1 4.12Å; V961-F989 HydrophobicContact CG1-CD2 4.34Å; V961-F989 HydrophobicContact CG1-CG 3.91Å; V961-F989 WeakPolarHBondContact CG1-O 3.4Å; V961-F989 HydrophobicContact CG2-CD1 3.92Å; V961-F989 HydrophobicContact CG2-CD2 3.88Å; V961-F989 HydrophobicContact CG2-CE1 3.7Å; V961-F989 HydrophobicContact CG2-CE2 3.63Å; V961-F989 HydrophobicContact CG2-CG 4Å; V961-F989 HydrophobicContact CG2-CZ 3.54Å; F966-F989 HydrophobicContact CD1-CB 4.41Å; F966-F989 AromaticContact CD1-CD2 3.56Å; F966-F989 HydrophobicContact CD1-CD2 3.56Å; F966-F989 HydrophobicContact CD1-CE2 4.25Å; F966-F989 HydrophobicContact CD1-CG 4.38Å; F966-F989 HydrophobicContact CE1-CB 4.11Å; F966-F989 HydrophobicContact CE1-CD2 4.1Å; F966-F989 HydrophobicContact CG-CD2 4.3Å; A969-F989 HydrophobicContact CB-CE2 3.94Å; A969-F989 HydrophobicContact CB-CZ 4.16Å; F970-F989 AromaticContact CD1-CE2 3.69Å; F970-F989 HydrophobicContact CD1-CE2 3.69Å; F970-F989 HydrophobicContact CD1-CZ 4.24Å; F970-F989 AromaticContact CE1-CD2 3.86Å; F970-F989 HydrophobicContact CE1-CD2 3.86Å; F970-F989 AromaticContact CE1-CE2 3.33Å; F970-F989 HydrophobicContact CE1-CE2 3.33Å; F970-F989 HydrophobicContact CE1-CZ 4.12Å; F970-F989 HydrophobicContact CZ-CE2 4.32Å; L973-F989 HydrophobicContact CD1-CE1 4.23Å; L973-F989 HydrophobicContact CD1-CZ 3.72Å; F985-F989 HydrophobicContact CB-CD1 3.86Å; F985-F989 HydrophobicContact CB-CE1 3.79Å; F985-F989 HydrophobicContact CB-CG 4.49Å; F985-F989 HydrophobicContact CB-CZ 4.38Å; F985-F989 HydrophobicContact CD1-CD1 4.35Å; F985-F989 AromaticContact CD1-CE1 3.83Å; F985-F989 HydrophobicContact CD1-CE1 3.83Å; F985-F989 HydrophobicContact CG-CE1 4.03Å; F985-F989 WeakPolarHBondContact O-CB 3.33Å; F985-F989 WeakPolarHBondContact O-CD1 3.4Å; F985-F989 PolarHBondContact O-N 2.91Å; R986-F989 PolarHBondContact O-N 2.91Å; N987-F989 VanDerWaalsContact C-N 3.29Å; N987-F989 PolarHBondContact O-N 2.86Å; F989-M991 VanDerWaalsContact C-N 3.32Å; F989-M991 PolarHBondContact O-N 2.71Å; F989-G992 PolarHBondContact O-N 3.07Å; F989-Y993 WeakPolarHBondContact O-CB 3.42Å; F989-Y993 PolarHBondContact O-N 3.05Å; F989-L1068 HydrophobicContact CD1-CD1 4.48Å; F989-L1068 HydrophobicContact CE1-CD2 4.11Å |
| 990 | I | 90.8 | Very high | 88.6 | Confident | 92 Ų | 92 | 68.3 Ų | 68.3 | 47% | 0.472 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -63.8 | -40.6 | 175.6 | -67.5 | 169 | 0 | 0 | 0 | 110.4 | R986 N987 Y993 S994 | R986-I990 HydrophobicContact CG-CD1 3.93Å; R986-I990 WeakPolarHBondContact O-CG1 3.33Å; R986-I990 PolarHBondContact O-N 3.03Å; N987-I990 PolarHBondContact O-N 3.04Å; I990-Y993 PolarHBondContact O-N 2.86Å; I990-S994 WeakPolarHBondContact O-CB 3.42Å; I990-S994 PolarHBondContact O-N 3.03Å; I990-S994 PolarHBondContact O-OG 2.88Å |
| 991 | M | 88.7 | Confident | 88 | Confident | 84 Ų | 84 | 69.3 Ų | 69.3 | 41% | 0.414 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -66.3 | -38.5 | 175.6 | -176.6 | 169.8 | 61.3 | 0 | 0 | 112.5 | N987 F989 S994 R995 | N987-M991 VanDerWaalsContact O-CB 3.3Å; N987-M991 WeakPolarHBondContact O-CB 3.48Å; N987-M991 PolarHBondContact O-N 2.91Å; F989-M991 VanDerWaalsContact C-N 3.32Å; F989-M991 PolarHBondContact O-N 2.71Å; M991-S994 PolarHBondContact O-OG 2.89Å; M991-R995 WeakPolarHBondContact O-CB 3.29Å; M991-R995 WeakPolarHBondContact O-CD 3.09Å; M991-R995 WeakPolarHBondContact O-CG 3.38Å; M991-R995 PolarHBondContact O-N 2.85Å; M991-R995 PolarHBondContact SD-NH2 3.43Å; M991-R995 VanDerWaalsContact SD-NH2 3.37Å |
| 992 | G | 87.5 | Confident | 86.9 | Confident | 14 Ų | 14 | 70 Ų | 70 | 14% | 0.144 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -63.9 | -44.1 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | M962 H988 F989 | M962-G992 WeakPolarHBondContact CG-O 3.18Å; H988-G992 PolarHBondContact O-N 2.83Å; F989-G992 PolarHBondContact O-N 3.07Å |
| 993 | Y | 89.4 | Confident | 86.2 | Confident | 74 Ų | 74 | 72.3 Ų | 72.3 | 29% | 0.29 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -67.9 | -40.8 | 178.3 | -179.5 | -107.9 | 0 | 0 | 0 | 113.1 | F966 F989 I990 R995 S996 | F966-Y993 HydrophobicContact CZ-CG 4.25Å; F989-Y993 WeakPolarHBondContact O-CB 3.42Å; F989-Y993 PolarHBondContact O-N 3.05Å; I990-Y993 PolarHBondContact O-N 2.86Å; Y993-R995 VanDerWaalsContact C-N 3.35Å; Y993-R995 PolarHBondContact O-N 3.33Å; Y993-S996 PolarHBondContact O-N 2.74Å; Y993-S996 PolarHBondContact O-OG 3.45Å |
| 994 | S | 87.1 | Confident | 85 | Confident | 67 Ų | 67 | 75.3 Ų | 75.3 | 47% | 0.469 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -66.8 | -36.1 | 177.5 | 61.4 | 0 | 0 | 0 | 0 | 112.4 | I990 M991 S996 | I990-S994 WeakPolarHBondContact O-CB 3.42Å; I990-S994 PolarHBondContact O-N 3.03Å; I990-S994 PolarHBondContact O-OG 2.88Å; M991-S994 PolarHBondContact O-OG 2.89Å; S994-S996 PolarHBondContact O-N 2.79Å |
| 995 | R | 85.1 | Confident | 84.1 | Confident | 111 Ų | 111 | 79.1 Ų | 79.1 | 42% | 0.419 | 43% | 0.432 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.6 | -14.6 | 174.4 | -73.3 | 171 | -177.8 | -152.6 | 1.6 | 114.4 | M991 Y993 R997 G1030 | M991-R995 WeakPolarHBondContact O-CB 3.29Å; M991-R995 WeakPolarHBondContact O-CD 3.09Å; M991-R995 WeakPolarHBondContact O-CG 3.38Å; M991-R995 PolarHBondContact O-N 2.85Å; M991-R995 PolarHBondContact SD-NH2 3.43Å; M991-R995 VanDerWaalsContact SD-NH2 3.37Å; Y993-R995 VanDerWaalsContact C-N 3.35Å; Y993-R995 PolarHBondContact O-N 3.33Å; R995-R997 VanDerWaalsContact C-N 3.34Å; R995-G1030 PolarHBondContact NH1-O 2.99Å |
| 996 | S | 86 | Confident | 83 | Confident | 1 Ų | 1 | 82.8 Ų | 82.8 | 1% | 0.007 | 46% | 0.455 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81.3 | -10.1 | -175.7 | 83.2 | 0 | 0 | 0 | 0 | 114.7 | M962 Y993 S994 Y1012 | M962-S996 WeakPolarHBondContact O-CB 3.43Å; M962-S996 PolarHBondContact O-OG 3.4Å; Y993-S996 PolarHBondContact O-N 2.74Å; Y993-S996 PolarHBondContact O-OG 3.45Å; S994-S996 PolarHBondContact O-N 2.79Å; S996-Y1012 WeakPolarHBondContact O-CD1 3.24Å |
| 997 | R | 83.9 | Confident | 82.2 | Confident | 82 Ų | 82 | 76.7 Ų | 76.7 | 31% | 0.309 | 45% | 0.447 | S | S | . | . | trans | -142.4 | 145.5 | -176.6 | 62.3 | -177.1 | 178.3 | 173.4 | -2.9 | 113.1 | R995 F1010 A1011 Y1012 | R995-R997 VanDerWaalsContact C-N 3.34Å; R997-F1010 HydrophobicContact CG-CD1 4.47Å; R997-A1011 CarbonylContact C-O 3.57Å; R997-A1011 WeakPolarHBondContact CA-O 3.47Å; R997-Y1012 HydrophobicContact CB-CD1 3.97Å; R997-Y1012 HydrophobicContact CB-CE1 3.86Å | ||
| 998 | V | 84 | Confident | 81.6 | Confident | 83 Ų | 83 | 74 Ų | 74 | 50% | 0.503 | 44% | 0.437 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 136.3 | 167.9 | -179.2 | 0 | 0 | 0 | 0 | 108.1 | F1010 A1011 | V998-F1010 CarbonylContact O-C 3.59Å; V998-F1010 WeakPolarHBondContact O-CA 3.44Å; V998-A1011 PolarHBondContact N-O 3.38Å; V998-A1011 PolarHBondContact O-N 2.84Å |
| 999 | S | 83.9 | Confident | 81 | Confident | 71 Ų | 71 | 75 Ų | 75 | 50% | 0.497 | 45% | 0.446 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 133.7 | 177.3 | -175.7 | 0 | 0 | 0 | 0 | 109.9 | P1008 S1009 | S999-P1008 WeakPolarHBondContact OG-CB 3.15Å; S999-S1009 WeakPolarHBondContact CA-O 3.12Å |
| 1000 | Y | 81.4 | Confident | 80.5 | Confident | 128 Ų | 128 | 79 Ų | 79 | 50% | 0.502 | 46% | 0.464 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.8 | 140.6 | 176 | 63 | -81.1 | 0 | 0 | 0 | 111.1 | S1009 A1011 | Y1000-S1009 VanDerWaalsContact CD1-O 3.28Å; Y1000-S1009 WeakPolarHBondContact CD1-O 3.3Å; Y1000-S1009 VanDerWaalsContact CZ-CB 3.45Å; Y1000-S1009 PolarHBondContact N-O 3.04Å; Y1000-S1009 PolarHBondContact O-N 3.47Å; Y1000-A1011 HydrophobicContact CE1-CB 4.03Å |
| 1001 | C | 78.9 | Confident | 80 | Confident | 94 Ų | 94 | 76.6 Ų | 76.6 | 64% | 0.635 | 46% | 0.458 | S | S | * | . | trans | -106.7 | 111.3 | 174.8 | -64.7 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 1002 | G | 69.7 | Low | 79.7 | Confident | 67 Ų | 67 | 76.3 Ų | 76.3 | 69% | 0.691 | 45% | 0.453 | S | S | * | . | trans | -88 | -25.3 | -177.5 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 1003 | I | 75.3 | Confident | 79.4 | Confident | 98 Ų | 98 | 78.1 Ų | 78.1 | 50% | 0.503 | 46% | 0.462 | S | S | . | . | S | Bend | trans | -142.3 | 135 | -175 | -53.7 | 178.2 | 0 | 0 | 0 | 108.3 | S1005 V1006 | I1003-S1005 PolarHBondContact O-N 3.25Å; I1003-S1005 VanDerWaalsContact O-N 3.08Å; I1003-V1006 HydrophobicContact CB-CB 4.3Å; I1003-V1006 HydrophobicContact CB-CG2 3.98Å; I1003-V1006 HydrophobicContact CD1-CG2 4.37Å; I1003-V1006 HydrophobicContact CG2-CG2 4.29Å; I1003-V1006 PolarHBondContact O-N 2.83Å; I1003-V1006 VanDerWaalsContact O-N 3.11Å |
| 1004 | P | 68.3 | Low | 79 | Confident | 146 Ų | 146 | 76.2 Ų | 76.2 | 95% | 0.948 | 46% | 0.457 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59 | -22.4 | -175.5 | -27.3 | 35.6 | 0 | 0 | 0 | 116.2 | ||
| 1005 | S | 71.6 | Confident | 78.4 | Confident | 112 Ų | 112 | 77.9 Ų | 77.9 | 78% | 0.783 | 46% | 0.456 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.7 | 3.9 | -178.7 | 51.7 | 0 | 0 | 0 | 0 | 114.3 | I1003 | I1003-S1005 PolarHBondContact O-N 3.25Å; I1003-S1005 VanDerWaalsContact O-N 3.08Å |
| 1006 | V | 68.1 | Low | 77.7 | Confident | 79 Ų | 79 | 76.7 Ų | 76.7 | 48% | 0.479 | 46% | 0.458 | S | S | . | . | S | Bend | trans | -120 | 137.8 | -178 | -174.5 | 0 | 0 | 0 | 0 | 109.7 | I1003 | I1003-V1006 HydrophobicContact CB-CB 4.3Å; I1003-V1006 HydrophobicContact CB-CG2 3.98Å; I1003-V1006 HydrophobicContact CD1-CG2 4.37Å; I1003-V1006 HydrophobicContact CG2-CG2 4.29Å; I1003-V1006 PolarHBondContact O-N 2.83Å; I1003-V1006 VanDerWaalsContact O-N 3.11Å |
| 1007 | G | 73.9 | Confident | 76.8 | Confident | 50 Ų | 50 | 85.2 Ų | 85.2 | 52% | 0.515 | 49% | 0.49 | S | S | . | . | P | Polyproline II helix | trans | -61.4 | 163.7 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | S1009 | G1007-S1009 PolarHBondContact O-N 3.1Š|
| 1008 | P | 78.6 | Confident | 76 | Confident | 67 Ų | 67 | 88.8 Ų | 88.8 | 44% | 0.435 | 51% | 0.508 | S | S | . | . | P | Polyproline II helix | trans | -57.6 | 130.3 | -179.1 | 22.5 | -32.9 | 0 | 0 | 0 | 111.9 | S999 F1010 | S999-P1008 WeakPolarHBondContact OG-CB 3.15Å; P1008-F1010 HydrophobicContact CG-CZ 4.45Å |
| 1009 | S | 77.3 | Confident | 74.8 | Confident | 47 Ų | 47 | 90.3 Ų | 90.3 | 33% | 0.329 | 51% | 0.513 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 141.7 | 172 | -67.5 | 0 | 0 | 0 | 0 | 110.1 | S999 Y1000 G1007 | S999-S1009 WeakPolarHBondContact CA-O 3.12Å; Y1000-S1009 VanDerWaalsContact CD1-O 3.28Å; Y1000-S1009 WeakPolarHBondContact CD1-O 3.3Å; Y1000-S1009 VanDerWaalsContact CZ-CB 3.45Å; Y1000-S1009 PolarHBondContact N-O 3.04Å; Y1000-S1009 PolarHBondContact O-N 3.47Å; G1007-S1009 PolarHBondContact O-N 3.1Å |
| 1010 | F | 80.5 | Confident | 73.4 | Confident | 92 Ų | 92 | 91.2 Ų | 91.2 | 40% | 0.404 | 52% | 0.517 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 133.1 | -178.4 | -60 | -69.8 | 0 | 0 | 0 | 111.5 | R997 V998 P1008 Y1012 | R997-F1010 HydrophobicContact CG-CD1 4.47Å; V998-F1010 CarbonylContact O-C 3.59Å; V998-F1010 WeakPolarHBondContact O-CA 3.44Å; P1008-F1010 HydrophobicContact CG-CZ 4.45Å; F1010-Y1012 HydrophobicContact CB-CE2 4.44Å |
| 1011 | A | 80.8 | Confident | 72.3 | Confident | 42 Ų | 42 | 91.8 Ų | 91.8 | 35% | 0.347 | 53% | 0.533 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 139.4 | 169.3 | 0 | 0 | 0 | 0 | 0 | 110.4 | R997 V998 Y1000 | R997-A1011 CarbonylContact C-O 3.57Å; R997-A1011 WeakPolarHBondContact CA-O 3.47Å; V998-A1011 PolarHBondContact N-O 3.38Å; V998-A1011 PolarHBondContact O-N 2.84Å; Y1000-A1011 HydrophobicContact CE1-CB 4.03Å |
| 1012 | Y | 82.1 | Confident | 71.2 | Confident | 77 Ų | 77 | 91 Ų | 91 | 30% | 0.302 | 52% | 0.523 | S | S | . | . | trans | -109.7 | 106.4 | -178.8 | -63.3 | -85.6 | 0 | 0 | 0 | 109.6 | V946 W950 S996 R997 F1010 | V946-Y1012 HydrophobicContact CB-CD2 4.35Å; V946-Y1012 HydrophobicContact CB-CG 4.44Å; V946-Y1012 HydrophobicContact CG2-CD2 4.48Å; W950-Y1012 AromaticContact CH2-CD1 3.78Å; W950-Y1012 HydrophobicContact CH2-CD1 3.78Å; W950-Y1012 HydrophobicContact CH2-CG 4.42Å; W950-Y1012 HydrophobicContact CZ2-CD1 4.38Å; S996-Y1012 WeakPolarHBondContact O-CD1 3.24Å; R997-Y1012 HydrophobicContact CB-CD1 3.97Å; R997-Y1012 HydrophobicContact CB-CE1 3.86Å; F1010-Y1012 HydrophobicContact CB-CE2 4.44Å | ||
| 1013 | P | 81.3 | Confident | 71 | Confident | 52 Ų | 52 | 95.3 Ų | 95.3 | 34% | 0.338 | 52% | 0.523 | S | S | . | . | trans | -65.3 | 148.3 | 175.2 | 28.4 | -35.1 | 0 | 0 | 0 | 111 | P1028 | P1013-P1028 HydrophobicContact CB-CG 4.07Å; P1013-P1028 HydrophobicContact CG-CG 4.11Å; P1013-P1028 WeakPolarHBondContact O-CD 3.45Å | ||
| 1014 | L | 80.7 | Confident | 70.7 | Confident | 35 Ų | 35 | 95.1 Ų | 95.1 | 18% | 0.183 | 52% | 0.523 | C | S | . | . | trans | -124.1 | 140.1 | -174.7 | -64.7 | 175.7 | 0 | 0 | 0 | 111.4 | V946 W950 N1016 C1025 | V946-L1014 HydrophobicContact CG1-CD2 3.98Å; W950-L1014 HydrophobicContact CZ2-CD2 4.3Å; L1014-N1016 VanDerWaalsContact C-N 3.25Å; L1014-N1016 PolarHBondContact O-N 3.39Å; L1014-C1025 HydrophobicContact CD1-CB 4.42Å; L1014-C1025 HydrophobicContact CD2-CB 4.02Å | ||
| 1015 | K | 75.2 | Confident | 71.1 | Confident | 101 Ų | 101 | 88.8 Ų | 88.8 | 44% | 0.439 | 48% | 0.482 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.8 | -39.7 | 173 | -173.2 | 177.9 | 178.5 | 179.3 | 0 | 110.6 | L1026 D1072 | K1015-L1026 PolarHBondContact N-O 2.87Å; K1015-D1072 IonicContact NZ-OD1 2.92Å; K1015-D1072 IonicContact NZ-OD2 3.99Å; K1015-D1072 PolarHBondContact NZ-OD2 3.05Å |
| 1016 | N | 69.8 | Low | 71.5 | Confident | 86 Ų | 86 | 85.2 Ų | 85.2 | 46% | 0.46 | 45% | 0.454 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103.6 | 47.4 | -176.1 | -61.4 | -3 | 0 | 0 | 0 | 112.2 | L1014 K1018 D1019 | L1014-N1016 VanDerWaalsContact C-N 3.25Å; L1014-N1016 PolarHBondContact O-N 3.39Å; N1016-K1018 PolarHBondContact O-N 3.17Å; N1016-D1019 PolarHBondContact O-N 2.96Å |
| 1017 | W | 68.1 | Low | 72.2 | Confident | 180 Ų | 180 | 81.5 Ų | 81.5 | 68% | 0.682 | 43% | 0.431 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.8 | -15.2 | -173.4 | 64.5 | -94.2 | 0 | 0 | 0 | 116.6 | ||
| 1018 | K | 66.2 | Low | 72.5 | Confident | 158 Ų | 158 | 81.5 Ų | 81.5 | 69% | 0.687 | 42% | 0.422 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75 | -26.3 | 179.7 | -67 | -173.4 | 177.2 | -176.2 | 0 | 114.2 | N1016 P1020 | N1016-K1018 PolarHBondContact O-N 3.17Å; K1018-P1020 VanDerWaalsContact C-CD 3.41Å; K1018-P1020 WeakPolarHBondContact O-CD 3.32Å |
| 1019 | D | 58.2 | Low | 72.6 | Confident | 115 Ų | 115 | 79.9 Ų | 79.9 | 62% | 0.615 | 41% | 0.411 | S | S | * | . | trans | -119.6 | 70.1 | 176.6 | -83.2 | -58.6 | 0 | 0 | 0 | 110.2 | N1016 V1021 D1022 | N1016-D1019 PolarHBondContact O-N 2.96Å; D1019-V1021 PolarHBondContact O-N 2.96Å; D1019-D1022 HydrophobicContact CB-CB 4.43Å; D1019-D1022 PolarHBondContact O-N 3.11Å | ||
| 1020 | P | 55.6 | Low | 72.5 | Confident | 90 Ų | 90 | 79.7 Ų | 79.7 | 58% | 0.584 | 42% | 0.417 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.2 | -6.9 | -175.7 | 29.9 | -36.8 | 0 | 0 | 0 | 114 | K1018 | K1018-P1020 VanDerWaalsContact C-CD 3.41Å; K1018-P1020 WeakPolarHBondContact O-CD 3.32Å |
| 1021 | V | 57.9 | Low | 72.6 | Confident | 139 Ų | 139 | 76.9 Ų | 76.9 | 84% | 0.842 | 41% | 0.407 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.4 | -17 | -177.9 | -170.9 | 0 | 0 | 0 | 0 | 112 | D1019 | D1019-V1021 PolarHBondContact O-N 2.96Š|
| 1022 | D | 56.7 | Low | 72.8 | Confident | 79 Ų | 79 | 81.4 Ų | 81.4 | 42% | 0.422 | 42% | 0.419 | S | S | . | . | trans | -79.2 | 140.4 | -171.6 | -168.3 | 20.1 | 0 | 0 | 0 | 112.9 | D1019 N1024 C1025 | D1019-D1022 HydrophobicContact CB-CB 4.43Å; D1019-D1022 PolarHBondContact O-N 3.11Å; D1022-N1024 PolarHBondContact O-N 3.05Å; D1022-N1024 VanDerWaalsContact O-N 3.1Å; D1022-N1024 PolarHBondContact OD1-ND2 3.4Å; D1022-N1024 WeakPolarHBondContact OD2-CB 3.28Å; D1022-N1024 PolarHBondContact OD2-ND2 2.78Å; D1022-C1025 PolarHBondContact O-N 2.84Å; D1022-C1025 PolarHBondContact O-SG 2.85Å | ||
| 1023 | K | 64.8 | Low | 73.1 | Confident | 156 Ų | 156 | 79.5 Ų | 79.5 | 68% | 0.678 | 41% | 0.413 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.8 | -18.8 | -179.6 | -69.2 | -179.3 | -179.7 | 177.8 | 0 | 112.6 | H949 N953 C1025 | H949-K1023 PolarHBondContact ND1-O 2.98Å; N953-K1023 PolarHBondContact ND2-O 3.26Å; N953-K1023 PolarHBondContact OD1-O 2.81Å; K1023-C1025 VanDerWaalsContact C-N 3.27Å; K1023-C1025 PolarHBondContact O-N 2.58Å |
| 1024 | N | 69.8 | Low | 73.5 | Confident | 95 Ų | 95 | 80 Ų | 80 | 51% | 0.508 | 42% | 0.418 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.5 | 15 | -178.1 | -59.1 | -51.6 | 0 | 0 | 0 | 114.9 | N953 D1022 | N953-N1024 VanDerWaalsContact ND2-CA 3.31Å; N953-N1024 WeakPolarHBondContact ND2-CA 3.38Å; D1022-N1024 PolarHBondContact O-N 3.05Å; D1022-N1024 VanDerWaalsContact O-N 3.1Å; D1022-N1024 PolarHBondContact OD1-ND2 3.4Å; D1022-N1024 WeakPolarHBondContact OD2-CB 3.28Å; D1022-N1024 PolarHBondContact OD2-ND2 2.78Å |
| 1025 | C | 75.2 | Confident | 73.8 | Confident | 13 Ų | 13 | 81.2 Ų | 81.2 | 9% | 0.088 | 43% | 0.425 | C | S | . | . | trans | -54 | 143.4 | 177.3 | -77.2 | 0 | 0 | 0 | 0 | 113.5 | W950 N953 L1014 D1022 K1023 | W950-C1025 VanDerWaalsContact CD1-O 3.32Å; N953-C1025 PolarHBondContact ND2-N 2.84Å; N953-C1025 PolarHBondContact ND2-O 3.45Å; L1014-C1025 HydrophobicContact CD1-CB 4.42Å; L1014-C1025 HydrophobicContact CD2-CB 4.02Å; D1022-C1025 PolarHBondContact O-N 2.84Å; D1022-C1025 PolarHBondContact O-SG 2.85Å; K1023-C1025 VanDerWaalsContact C-N 3.27Å; K1023-C1025 PolarHBondContact O-N 2.58Å | ||
| 1026 | L | 80 | Confident | 74.6 | Confident | 37 Ų | 37 | 76.5 Ų | 76.5 | 19% | 0.194 | 41% | 0.405 | C | S | . | . | trans | -142.3 | 150.3 | 175.5 | -70.2 | 176.4 | 0 | 0 | 0 | 110.4 | N953 K1015 | N953-L1026 HydrophobicContact CB-CD2 3.99Å; K1015-L1026 PolarHBondContact N-O 2.87Å | ||
| 1027 | P | 84.2 | Confident | 75.5 | Confident | 0 Ų | 0 | 74.5 Ų | 74.5 | 0% | 0 | 40% | 0.4 | C | S | . | . | P | Polyproline II helix | trans | -78.8 | 155.5 | -180 | 33.5 | -33 | 0 | 0 | 0 | 111.6 | W950 M962 V1029 | W950-P1027 HydrophobicContact CD2-CB 4.08Å; W950-P1027 HydrophobicContact CD2-CG 3.83Å; W950-P1027 HydrophobicContact CE3-CB 4.11Å; W950-P1027 HydrophobicContact CE3-CG 3.87Å; W950-P1027 HydrophobicContact CG-CG 4.27Å; W950-P1027 HydrophobicContact CH2-CB 3.84Å; W950-P1027 HydrophobicContact CZ2-CB 3.8Å; W950-P1027 HydrophobicContact CZ2-CG 4.47Å; W950-P1027 HydrophobicContact CZ3-CB 4.01Å; W950-P1027 HydrophobicContact CZ3-CG 4.23Å; M962-P1027 HydrophobicContact CB-CG 4.12Å; M962-P1027 HydrophobicContact CE-CB 3.77Å; M962-P1027 HydrophobicContact CE-CG 4.25Å; M962-P1027 HydrophobicContact SD-CB 3.95Å; M962-P1027 HydrophobicContact SD-CG 3.74Å; P1027-V1029 PolarHBondContact O-N 2.77Å |
| 1028 | P | 80.4 | Confident | 76.5 | Confident | 50 Ų | 50 | 71.2 Ų | 71.2 | 33% | 0.325 | 40% | 0.396 | S | S | . | . | P | Polyproline II helix | trans | -74.2 | 119 | 172 | 30.4 | -33.3 | 0 | 0 | 0 | 110.4 | M962 P1013 G1030 | M962-P1028 WeakPolarHBondContact CE-O 3.43Å; P1013-P1028 HydrophobicContact CB-CG 4.07Å; P1013-P1028 HydrophobicContact CG-CG 4.11Å; P1013-P1028 WeakPolarHBondContact O-CD 3.45Å; P1028-G1030 PolarHBondContact O-N 3.32Å |
| 1029 | V | 80.7 | Confident | 77.5 | Confident | 34 Ų | 34 | 68.1 Ų | 68.1 | 21% | 0.206 | 38% | 0.384 | C | S | . | . | P | Polyproline II helix | trans | -77.2 | 122.8 | 177.2 | 179 | 0 | 0 | 0 | 0 | 109.7 | V958 M962 P1027 V1070 | V958-V1029 HydrophobicContact CG1-CG2 4.1Å; V958-V1029 HydrophobicContact CG2-CG1 4.36Å; M962-V1029 HydrophobicContact SD-CG2 4.43Å; P1027-V1029 PolarHBondContact O-N 2.77Å; V1029-V1070 HydrophobicContact CG1-CG2 4.46Å; V1029-V1070 HydrophobicContact CG2-CB 4.3Å; V1029-V1070 HydrophobicContact CG2-CG2 3.79Å |
| 1030 | G | 73.5 | Confident | 79.1 | Confident | 43 Ų | 43 | 63.3 Ų | 63.3 | 44% | 0.443 | 36% | 0.358 | S | S | . | . | trans | -91 | 13.8 | -172.6 | 0 | 0 | 0 | 0 | 0 | 115.9 | R995 P1028 | R995-G1030 PolarHBondContact NH1-O 2.99Å; P1028-G1030 PolarHBondContact O-N 3.32Å | ||
| 1031 | T | 82.6 | Confident | 80.8 | Confident | 33 Ų | 33 | 63.9 Ų | 63.9 | 20% | 0.202 | 35% | 0.353 | C | S | . | . | trans | -132.2 | 116.3 | 177.9 | 43.8 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 1032 | K | 86.4 | Confident | 82.3 | Confident | 136 Ų | 136 | 60.2 Ų | 60.2 | 59% | 0.591 | 33% | 0.333 | S | S | * | . | trans | -105.7 | 161.4 | 177.3 | -61.9 | 176.2 | -178.8 | 175.6 | 0 | 110.8 | S1034 D1035 L1036 | K1032-S1034 WeakPolarHBondContact CB-OG 3.29Å; K1032-S1034 PolarHBondContact O-N 2.76Å; K1032-D1035 WeakPolarHBondContact CB-OD2 3.47Å; K1032-D1035 PolarHBondContact N-OD2 2.9Å; K1032-D1035 WeakPolarHBondContact O-CB 3.25Å; K1032-D1035 PolarHBondContact O-N 3.43Å; K1032-L1036 PolarHBondContact O-N 2.92Å | ||
| 1033 | L | 88.5 | Confident | 84 | Confident | 37 Ų | 37 | 56.6 Ų | 56.6 | 19% | 0.194 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -57.9 | -34.3 | 173.5 | -172.6 | 63.8 | 0 | 0 | 0 | 112.2 | D1035 L1036 A1037 L1069 D1076 D1079 A1080 L1083 | L1033-D1035 VanDerWaalsContact C-N 3.27Å; L1033-D1035 PolarHBondContact O-N 3.45Å; L1033-L1036 PolarHBondContact O-N 2.79Å; L1033-A1037 WeakPolarHBondContact O-CB 3.46Å; L1033-A1037 PolarHBondContact O-N 3.5Å; L1033-L1069 HydrophobicContact CD1-CD1 4.12Å; L1033-D1076 HydrophobicContact CD2-CB 4.21Å; L1033-D1079 HydrophobicContact CD2-CB 3.85Å; L1033-A1080 HydrophobicContact CD1-CB 4.31Å; L1033-L1083 HydrophobicContact CD1-CD2 4.48Å |
| 1034 | S | 88.5 | Confident | 85.3 | Confident | 62 Ų | 62 | 50 Ų | 50 | 43% | 0.434 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -58 | -37.3 | 171.8 | 52.9 | 0 | 0 | 0 | 0 | 113.5 | K1032 A1037 N1038 | K1032-S1034 WeakPolarHBondContact CB-OG 3.29Å; K1032-S1034 PolarHBondContact O-N 2.76Å; S1034-A1037 PolarHBondContact O-N 2.82Å; S1034-N1038 VanDerWaalsContact O-CG 3.29Å; S1034-N1038 PolarHBondContact O-N 3.35Å; S1034-N1038 PolarHBondContact O-ND2 2.92Å |
| 1035 | D | 88.4 | Confident | 86.2 | Confident | 61 Ų | 61 | 51.5 Ų | 51.5 | 33% | 0.326 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -75.4 | -37.5 | -174.6 | -45.5 | -22.5 | 0 | 0 | 0 | 109.3 | K1032 L1033 N1038 Q1039 | K1032-D1035 WeakPolarHBondContact CB-OD2 3.47Å; K1032-D1035 PolarHBondContact N-OD2 2.9Å; K1032-D1035 WeakPolarHBondContact O-CB 3.25Å; K1032-D1035 PolarHBondContact O-N 3.43Å; L1033-D1035 VanDerWaalsContact C-N 3.27Å; L1033-D1035 PolarHBondContact O-N 3.45Å; D1035-N1038 PolarHBondContact O-N 3.17Å; D1035-Q1039 WeakPolarHBondContact O-CG 3.37Å; D1035-Q1039 PolarHBondContact O-N 3.44Å |
| 1036 | L | 90.6 | Very high | 86.9 | Confident | 3 Ų | 3 | 52.7 Ų | 52.7 | 2% | 0.016 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -67.9 | -38.2 | 171.6 | -57.1 | -161.4 | 0 | 0 | 0 | 111.9 | K1032 L1033 N1038 Q1039 L1040 L1062 I1066 L1069 L1083 | K1032-L1036 PolarHBondContact O-N 2.92Å; L1033-L1036 PolarHBondContact O-N 2.79Å; L1036-N1038 VanDerWaalsContact C-N 3.28Å; L1036-N1038 PolarHBondContact O-N 2.73Å; L1036-Q1039 PolarHBondContact O-N 3.47Å; L1036-L1040 WeakPolarHBondContact O-CB 3.17Å; L1036-L1040 PolarHBondContact O-N 2.98Å; L1036-L1062 HydrophobicContact CB-CD1 3.75Å; L1036-L1062 HydrophobicContact CD1-CD1 4.49Å; L1036-L1062 HydrophobicContact CD2-CD1 4.11Å; L1036-L1062 HydrophobicContact CG-CD1 4.31Å; L1036-I1066 HydrophobicContact CD1-CG1 3.87Å; L1036-L1069 HydrophobicContact CD1-CD1 3.84Å; L1036-L1069 HydrophobicContact CD1-CD2 3.86Å; L1036-L1069 HydrophobicContact CD1-CG 3.99Å; L1036-L1069 HydrophobicContact CG-CD2 4.2Å; L1036-L1083 HydrophobicContact CB-CD2 3.88Å; L1036-L1083 HydrophobicContact CD1-CD2 4.06Å |
| 1037 | A | 88.5 | Confident | 87.4 | Confident | 44 Ų | 44 | 51.1 Ų | 51.1 | 36% | 0.364 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -63.4 | -33.7 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | L1033 S1034 L1040 | L1033-A1037 WeakPolarHBondContact O-CB 3.46Å; L1033-A1037 PolarHBondContact O-N 3.5Å; S1034-A1037 PolarHBondContact O-N 2.82Å; A1037-L1040 WeakPolarHBondContact O-CB 3.33Å |
| 1038 | N | 89.2 | Confident | 87.6 | Confident | 111 Ų | 111 | 54.9 Ų | 54.9 | 59% | 0.594 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -70.7 | -43.6 | 171.9 | -69.2 | -23.4 | 0 | 0 | 0 | 111.8 | S1034 D1035 L1036 L1040 Q1041 S1042 | S1034-N1038 VanDerWaalsContact O-CG 3.29Å; S1034-N1038 PolarHBondContact O-N 3.35Å; S1034-N1038 PolarHBondContact O-ND2 2.92Å; D1035-N1038 PolarHBondContact O-N 3.17Å; L1036-N1038 VanDerWaalsContact C-N 3.28Å; L1036-N1038 PolarHBondContact O-N 2.73Å; N1038-L1040 VanDerWaalsContact C-N 3.25Å; N1038-L1040 PolarHBondContact O-N 2.93Å; N1038-Q1041 WeakPolarHBondContact O-CB 3.48Å; N1038-Q1041 PolarHBondContact O-N 3.41Å; N1038-Q1041 VanDerWaalsContact O-N 3.1Å; N1038-S1042 PolarHBondContact O-N 2.81Å |
| 1039 | Q | 89 | Confident | 87.8 | Confident | 93 Ų | 93 | 56.2 Ų | 56.2 | 44% | 0.435 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -60.4 | -34.3 | 174.2 | -74.4 | 178.4 | -24.6 | 0 | 0 | 112.7 | D1035 L1036 Q1041 S1042 C1043 L1062 | D1035-Q1039 WeakPolarHBondContact O-CG 3.37Å; D1035-Q1039 PolarHBondContact O-N 3.44Å; L1036-Q1039 PolarHBondContact O-N 3.47Å; Q1039-Q1041 VanDerWaalsContact C-N 3.28Å; Q1039-Q1041 PolarHBondContact O-N 2.77Å; Q1039-S1042 WeakPolarHBondContact O-CB 3.47Å; Q1039-S1042 PolarHBondContact O-N 3.35Å; Q1039-C1043 PolarHBondContact O-N 3.39Å; Q1039-C1043 PolarHBondContact O-SG 2.87Å; Q1039-L1062 HydrophobicContact CB-CD1 3.96Å |
| 1040 | L | 91.7 | Very high | 87.8 | Confident | 14 Ų | 14 | 54.8 Ų | 54.8 | 7% | 0.073 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -60.3 | -36.5 | 174.5 | -177 | 67 | 0 | 0 | 0 | 112.1 | L1036 A1037 N1038 S1042 C1043 Y1044 F1059 L1062 L1083 I1086 | L1036-L1040 WeakPolarHBondContact O-CB 3.17Å; L1036-L1040 PolarHBondContact O-N 2.98Å; A1037-L1040 WeakPolarHBondContact O-CB 3.33Å; N1038-L1040 VanDerWaalsContact C-N 3.25Å; N1038-L1040 PolarHBondContact O-N 2.93Å; L1040-S1042 PolarHBondContact O-N 3.05Å; L1040-C1043 WeakPolarHBondContact O-CB 3.39Å; L1040-C1043 PolarHBondContact O-N 3.4Å; L1040-C1043 VanDerWaalsContact O-N 3.17Å; L1040-Y1044 HydrophobicContact CD1-CE1 3.89Å; L1040-Y1044 HydrophobicContact CD1-CE2 4.28Å; L1040-Y1044 HydrophobicContact CD2-CE2 3.91Å; L1040-Y1044 WeakPolarHBondContact CD2-OH 3.3Å; L1040-Y1044 HydrophobicContact CG-CD2 4.29Å; L1040-Y1044 HydrophobicContact CG-CE1 4.17Å; L1040-Y1044 HydrophobicContact CG-CE2 3.64Å; L1040-Y1044 WeakPolarHBondContact O-CD2 3.34Å; L1040-Y1044 PolarHBondContact O-N 2.97Å; L1040-F1059 HydrophobicContact CD1-CE1 3.75Å; L1040-L1062 HydrophobicContact CB-CD2 4.01Å; L1040-L1062 HydrophobicContact CD1-CD2 3.78Å; L1040-L1083 HydrophobicContact CB-CD1 4.5Å; L1040-L1083 HydrophobicContact CD1-CD1 4.14Å; L1040-L1083 HydrophobicContact CD2-CD1 3.75Å; L1040-L1083 HydrophobicContact CG-CD1 4.35Å; L1040-I1086 HydrophobicContact CD1-CG2 3.92Å |
| 1041 | Q | 90.7 | Very high | 88.6 | Confident | 102 Ų | 102 | 58 Ų | 58 | 48% | 0.477 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -63.7 | -40.5 | 174.9 | -58 | -57.3 | -30.3 | 0 | 0 | 111.7 | N1038 Q1039 C1043 Y1044 Q1045 | N1038-Q1041 WeakPolarHBondContact O-CB 3.48Å; N1038-Q1041 PolarHBondContact O-N 3.41Å; N1038-Q1041 VanDerWaalsContact O-N 3.1Å; Q1039-Q1041 VanDerWaalsContact C-N 3.28Å; Q1039-Q1041 PolarHBondContact O-N 2.77Å; Q1041-C1043 VanDerWaalsContact C-N 3.31Å; Q1041-C1043 PolarHBondContact O-N 3.29Å; Q1041-Y1044 PolarHBondContact O-N 2.9Å; Q1041-Q1045 WeakPolarHBondContact O-CG 3.46Å; Q1041-Q1045 PolarHBondContact O-N 2.87Å |
| 1042 | S | 89.2 | Confident | 88.9 | Confident | 61 Ų | 61 | 56.8 Ų | 56.8 | 43% | 0.427 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -62.5 | -38.3 | 172.7 | -53.6 | 0 | 0 | 0 | 0 | 111.8 | N1038 Q1039 L1040 Y1044 Q1045 L1046 | N1038-S1042 PolarHBondContact O-N 2.81Å; Q1039-S1042 WeakPolarHBondContact O-CB 3.47Å; Q1039-S1042 PolarHBondContact O-N 3.35Å; L1040-S1042 PolarHBondContact O-N 3.05Å; S1042-Y1044 VanDerWaalsContact C-N 3.34Å; S1042-Y1044 PolarHBondContact O-N 2.82Å; S1042-Q1045 PolarHBondContact O-N 3.35Å; S1042-L1046 WeakPolarHBondContact O-CG 3.41Å; S1042-L1046 PolarHBondContact O-N 3.22Å |
| 1043 | C | 91.4 | Very high | 89.1 | Confident | 3 Ų | 3 | 54.1 Ų | 54.1 | 2% | 0.02 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -64.6 | -37.6 | 174.9 | -57.9 | 0 | 0 | 0 | 0 | 112.3 | Q1039 L1040 Q1041 T1047 F1059 | Q1039-C1043 PolarHBondContact O-N 3.39Å; Q1039-C1043 PolarHBondContact O-SG 2.87Å; L1040-C1043 WeakPolarHBondContact O-CB 3.39Å; L1040-C1043 PolarHBondContact O-N 3.4Å; L1040-C1043 VanDerWaalsContact O-N 3.17Å; Q1041-C1043 VanDerWaalsContact C-N 3.31Å; Q1041-C1043 PolarHBondContact O-N 3.29Å; C1043-T1047 PolarHBondContact O-N 3.45Å; C1043-T1047 PolarHBondContact O-OG1 2.9Å; C1043-F1059 HydrophobicContact CB-CD1 3.93Å; C1043-F1059 HydrophobicContact CB-CD2 4.07Å; C1043-F1059 HydrophobicContact CB-CE1 3.61Å; C1043-F1059 HydrophobicContact CB-CE2 3.73Å; C1043-F1059 HydrophobicContact CB-CG 4.14Å; C1043-F1059 HydrophobicContact CB-CZ 3.49Å; C1043-F1059 VanDerWaalsContact CB-CZ 3.49Å |
| 1044 | Y | 91.9 | Very high | 89.2 | Confident | 17 Ų | 17 | 55.8 Ų | 55.8 | 7% | 0.067 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -66.4 | -40.7 | 172.5 | -64.2 | -29.7 | 0 | 0 | 0 | 112.2 | L1040 Q1041 S1042 T1047 T1048 F1059 I1086 Y1090 Q1127 H1130 | L1040-Y1044 HydrophobicContact CD1-CE1 3.89Å; L1040-Y1044 HydrophobicContact CD1-CE2 4.28Å; L1040-Y1044 HydrophobicContact CD2-CE2 3.91Å; L1040-Y1044 WeakPolarHBondContact CD2-OH 3.3Å; L1040-Y1044 HydrophobicContact CG-CD2 4.29Å; L1040-Y1044 HydrophobicContact CG-CE1 4.17Å; L1040-Y1044 HydrophobicContact CG-CE2 3.64Å; L1040-Y1044 WeakPolarHBondContact O-CD2 3.34Å; L1040-Y1044 PolarHBondContact O-N 2.97Å; Q1041-Y1044 PolarHBondContact O-N 2.9Å; S1042-Y1044 VanDerWaalsContact C-N 3.34Å; S1042-Y1044 PolarHBondContact O-N 2.82Å; Y1044-T1047 WeakPolarHBondContact O-CB 3.3Å; Y1044-T1047 PolarHBondContact O-N 3.33Å; Y1044-T1048 WeakPolarHBondContact O-CB 3.33Å; Y1044-T1048 PolarHBondContact O-N 2.9Å; Y1044-T1048 PolarHBondContact O-OG1 2.97Å; Y1044-F1059 HydrophobicContact CD1-CZ 4.15Å; Y1044-F1059 HydrophobicContact CE1-CZ 4.27Å; Y1044-I1086 HydrophobicContact CE1-CG2 4.36Å; Y1044-I1086 WeakPolarHBondContact OH-CG2 3.34Å; Y1044-Y1090 AromaticContact CD1-CE1 3.91Å; Y1044-Y1090 HydrophobicContact CD1-CE1 3.91Å; Y1044-Y1090 AromaticContact CD1-CZ 3.84Å; Y1044-Y1090 AromaticContact CE1-CE1 3.94Å; Y1044-Y1090 HydrophobicContact CE1-CE1 3.94Å; Y1044-Y1090 AromaticContact CE1-CE2 3.82Å; Y1044-Y1090 HydrophobicContact CE1-CE2 3.82Å; Y1044-Y1090 AromaticContact CE1-CZ 3.43Å; Y1044-Y1090 VanDerWaalsContact CE1-CZ 3.43Å; Y1044-Y1090 VanDerWaalsContact CE1-OH 3.29Å; Y1044-Y1090 WeakPolarHBondContact CE1-OH 3.34Å; Y1044-Q1127 HydrophobicContact CE1-CG 4.45Å; Y1044-Q1127 HydrophobicContact CE2-CG 4.49Å; Y1044-H1130 AromaticContact CD1-CE1 3.85Å; Y1044-H1130 PolarHBondContact O-NE2 2.85Å |
| 1045 | Q | 89.6 | Confident | 89.4 | Confident | 128 Ų | 128 | 52.9 Ų | 52.9 | 60% | 0.598 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -62.1 | -43 | 174.7 | -72.4 | 172.7 | -13.3 | 0 | 0 | 112.2 | Q1041 S1042 T1047 T1048 T1049 | Q1041-Q1045 WeakPolarHBondContact O-CG 3.46Å; Q1041-Q1045 PolarHBondContact O-N 2.87Å; S1042-Q1045 PolarHBondContact O-N 3.35Å; Q1045-T1047 VanDerWaalsContact C-N 3.32Å; Q1045-T1047 PolarHBondContact O-N 3.24Å; Q1045-T1048 PolarHBondContact O-N 3.11Å; Q1045-T1049 WeakPolarHBondContact O-CB 2.98Å; Q1045-T1049 WeakPolarHBondContact O-CG2 3.39Å; Q1045-T1049 PolarHBondContact O-N 3.47Å; Q1045-T1049 PolarHBondContact O-OG1 3.16Å |
| 1046 | L | 90.5 | Very high | 89.5 | Confident | 38 Ų | 38 | 50.1 Ų | 50.1 | 20% | 0.199 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -63.3 | -37.4 | 173.6 | -67.7 | 171.3 | 0 | 0 | 0 | 112.2 | S1042 T1049 G1050 K1051 D1054 A1055 S1058 | S1042-L1046 WeakPolarHBondContact O-CG 3.41Å; S1042-L1046 PolarHBondContact O-N 3.22Å; L1046-T1049 WeakPolarHBondContact CA-OG1 3.32Å; L1046-T1049 PolarHBondContact O-OG1 3.25Å; L1046-G1050 PolarHBondContact O-N 2.96Å; L1046-K1051 HydrophobicContact CD2-CB 4.19Å; L1046-K1051 HydrophobicContact CD2-CD 4.15Å; L1046-K1051 PolarHBondContact O-N 3.22Å; L1046-K1051 VanDerWaalsContact O-N 3.09Å; L1046-D1054 HydrophobicContact CD1-CB 4.22Å; L1046-D1054 HydrophobicContact CD2-CB 4.13Å; L1046-A1055 HydrophobicContact CB-CB 3.78Å; L1046-S1058 VanDerWaalsContact CD1-OG 3.29Å; L1046-S1058 WeakPolarHBondContact CD1-OG 3.16Å |
| 1047 | T | 89.4 | Confident | 89.6 | Confident | 4 Ų | 4 | 54.4 Ų | 54.4 | 3% | 0.025 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -66.1 | -43.4 | 174.3 | -54.6 | 0 | 0 | 0 | 0 | 111.7 | W906 C1043 Y1044 Q1045 G1050 F1059 Y1090 L1094 | W906-T1047 PolarHBondContact NE1-O 3.09Å; C1043-T1047 PolarHBondContact O-N 3.45Å; C1043-T1047 PolarHBondContact O-OG1 2.9Å; Y1044-T1047 WeakPolarHBondContact O-CB 3.3Å; Y1044-T1047 PolarHBondContact O-N 3.33Å; Q1045-T1047 VanDerWaalsContact C-N 3.32Å; Q1045-T1047 PolarHBondContact O-N 3.24Å; T1047-G1050 PolarHBondContact O-N 2.91Å; T1047-F1059 WeakPolarHBondContact OG1-CE2 3.48Å; T1047-Y1090 HydrophobicContact CG2-CD1 4.31Å; T1047-Y1090 HydrophobicContact CG2-CE1 4.11Å; T1047-L1094 HydrophobicContact CG2-CD2 4.37Å |
| 1048 | T | 88.1 | Confident | 89.8 | Confident | 78 Ų | 78 | 54.2 Ų | 54.2 | 48% | 0.479 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -65.6 | -40.8 | 179.2 | -60.6 | 0 | 0 | 0 | 0 | 111.3 | W906 Y1044 Q1045 G1050 H1130 | W906-T1048 VanDerWaalsContact CD1-O 3.29Å; Y1044-T1048 WeakPolarHBondContact O-CB 3.33Å; Y1044-T1048 PolarHBondContact O-N 2.9Å; Y1044-T1048 PolarHBondContact O-OG1 2.97Å; Q1045-T1048 PolarHBondContact O-N 3.11Å; T1048-G1050 PolarHBondContact O-N 3.18Å; T1048-H1130 PolarHBondContact OG1-NE2 3.11Å |
| 1049 | T | 85.6 | Confident | 90.1 | Very high | 79 Ų | 79 | 49 Ų | 49 | 49% | 0.485 | 26% | 0.262 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77 | -2.8 | 178.6 | 51.7 | 0 | 0 | 0 | 0 | 114.2 | G905 Q1045 L1046 K1051 | G905-T1049 WeakPolarHBondContact CA-O 3.49Å; Q1045-T1049 WeakPolarHBondContact O-CB 2.98Å; Q1045-T1049 WeakPolarHBondContact O-CG2 3.39Å; Q1045-T1049 PolarHBondContact O-N 3.47Å; Q1045-T1049 PolarHBondContact O-OG1 3.16Å; L1046-T1049 WeakPolarHBondContact CA-OG1 3.32Å; L1046-T1049 PolarHBondContact O-OG1 3.25Å; T1049-K1051 VanDerWaalsContact C-N 3.3Å; T1049-K1051 PolarHBondContact O-N 3.19Å |
| 1050 | G | 81.5 | Confident | 90.3 | Very high | 3 Ų | 3 | 46.5 Ų | 46.5 | 3% | 0.031 | 25% | 0.249 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 79.2 | 3.8 | 177.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | L1046 T1047 T1048 F1052 | L1046-G1050 PolarHBondContact O-N 2.96Å; T1047-G1050 PolarHBondContact O-N 2.91Å; T1048-G1050 PolarHBondContact O-N 3.18Å; G1050-F1052 WeakPolarHBondContact O-CD1 3.41Å; G1050-F1052 WeakPolarHBondContact O-CG 3.25Å; G1050-F1052 PolarHBondContact O-N 3.29Å |
| 1051 | K | 88.6 | Confident | 90.2 | Very high | 112 Ų | 112 | 47.9 Ų | 47.9 | 49% | 0.487 | 26% | 0.263 | S | S | . | . | trans | -74.7 | 68.1 | 178.1 | -65.5 | -168.1 | 172.7 | -163.5 | 0 | 111.4 | L1046 T1049 T1053 D1054 A1055 | L1046-K1051 HydrophobicContact CD2-CB 4.19Å; L1046-K1051 HydrophobicContact CD2-CD 4.15Å; L1046-K1051 PolarHBondContact O-N 3.22Å; L1046-K1051 VanDerWaalsContact O-N 3.09Å; T1049-K1051 VanDerWaalsContact C-N 3.3Å; T1049-K1051 PolarHBondContact O-N 3.19Å; K1051-T1053 PolarHBondContact O-N 2.78Å; K1051-D1054 HydrophobicContact CB-CB 4.22Å; K1051-D1054 PolarHBondContact O-N 3.32Å; K1051-A1055 VanDerWaalsContact O-CB 3.29Å; K1051-A1055 WeakPolarHBondContact O-CB 3.36Å; K1051-A1055 PolarHBondContact O-N 3.08Å | ||
| 1052 | F | 89.9 | Confident | 90.3 | Very high | 6 Ų | 6 | 43.1 Ų | 43.1 | 3% | 0.026 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -66.2 | -33.1 | -168.2 | -59.8 | -29.9 | 0 | 0 | 0 | 114.1 | W906 G1050 V1056 L1094 E1097 L1098 | W906-F1052 HydrophobicContact CD2-CZ 4.03Å; W906-F1052 AromaticContact CE2-CE1 3.67Å; W906-F1052 AromaticContact CE2-CZ 3.54Å; W906-F1052 HydrophobicContact CH2-CZ 4.14Å; W906-F1052 AromaticContact CZ2-CE1 3.69Å; W906-F1052 HydrophobicContact CZ2-CE1 3.69Å; W906-F1052 AromaticContact CZ2-CZ 3.61Å; W906-F1052 HydrophobicContact CZ2-CZ 3.61Å; W906-F1052 AromaticContact NE1-CE1 3.61Å; W906-F1052 AromaticContact NE1-CZ 3.82Å; G1050-F1052 WeakPolarHBondContact O-CD1 3.41Å; G1050-F1052 WeakPolarHBondContact O-CG 3.25Å; G1050-F1052 PolarHBondContact O-N 3.29Å; F1052-V1056 VanDerWaalsContact O-CB 3.31Å; F1052-V1056 WeakPolarHBondContact O-CB 3.33Å; F1052-V1056 WeakPolarHBondContact O-CG2 3.39Å; F1052-V1056 PolarHBondContact O-N 3.29Å; F1052-L1094 HydrophobicContact CB-CD2 4.3Å; F1052-L1094 HydrophobicContact CD1-CD2 3.5Å; F1052-L1094 VanDerWaalsContact CD1-CD2 3.5Å; F1052-L1094 HydrophobicContact CE1-CD2 4Å; F1052-L1094 HydrophobicContact CG-CD2 4.03Å; F1052-E1097 HydrophobicContact CD2-CG 3.85Å; F1052-E1097 HydrophobicContact CE2-CG 3.48Å; F1052-E1097 VanDerWaalsContact CE2-CG 3.48Å; F1052-E1097 HydrophobicContact CZ-CG 4.16Å; F1052-L1098 HydrophobicContact CB-CD2 3.93Å; F1052-L1098 HydrophobicContact CB-CG 4.18Å |
| 1053 | T | 90.7 | Very high | 90.5 | Very high | 80 Ų | 80 | 40.2 Ų | 40.2 | 49% | 0.491 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -60.7 | -54.9 | 173.2 | 45.9 | 0 | 0 | 0 | 0 | 110.8 | K1051 A1055 V1056 D1057 L1098 | K1051-T1053 PolarHBondContact O-N 2.78Å; T1053-A1055 VanDerWaalsContact C-N 3.31Å; T1053-A1055 PolarHBondContact O-N 3.38Å; T1053-V1056 PolarHBondContact O-N 2.84Å; T1053-V1056 VanDerWaalsContact O-N 3.15Å; T1053-D1057 PolarHBondContact O-N 2.78Å; T1053-L1098 HydrophobicContact CG2-CD2 4.3Å |
| 1054 | D | 90.2 | Very high | 90.6 | Very high | 73 Ų | 73 | 40.6 Ų | 40.6 | 39% | 0.39 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -64.8 | -38.3 | -177.5 | -52.1 | 3.1 | 0 | 0 | 0 | 110.7 | L1046 K1051 S1058 | L1046-D1054 HydrophobicContact CD1-CB 4.22Å; L1046-D1054 HydrophobicContact CD2-CB 4.13Å; K1051-D1054 HydrophobicContact CB-CB 4.22Å; K1051-D1054 PolarHBondContact O-N 3.32Å; D1054-S1058 WeakPolarHBondContact O-CB 3.22Å; D1054-S1058 PolarHBondContact O-N 3.47Å; D1054-S1058 PolarHBondContact O-OG 3.07Å |
| 1055 | A | 92 | Very high | 90.6 | Very high | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -62.4 | -47.3 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | L1046 K1051 T1053 D1057 S1058 F1059 L1094 | L1046-A1055 HydrophobicContact CB-CB 3.78Å; K1051-A1055 VanDerWaalsContact O-CB 3.29Å; K1051-A1055 WeakPolarHBondContact O-CB 3.36Å; K1051-A1055 PolarHBondContact O-N 3.08Å; T1053-A1055 VanDerWaalsContact C-N 3.31Å; T1053-A1055 PolarHBondContact O-N 3.38Å; A1055-D1057 PolarHBondContact O-N 3.03Å; A1055-S1058 PolarHBondContact O-N 2.88Å; A1055-F1059 WeakPolarHBondContact O-CB 3.42Å; A1055-F1059 WeakPolarHBondContact O-CD2 3.45Å; A1055-F1059 PolarHBondContact O-N 2.69Å; A1055-L1094 HydrophobicContact CB-CD1 3.88Å |
| 1056 | V | 92.3 | Very high | 90.8 | Very high | 4 Ų | 4 | 34.4 Ų | 34.4 | 2% | 0.024 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -60.5 | -45.7 | 178.4 | 161.8 | 0 | 0 | 0 | 0 | 111.2 | F1052 T1053 F1059 R1060 L1091 L1094 L1098 | F1052-V1056 VanDerWaalsContact O-CB 3.31Å; F1052-V1056 WeakPolarHBondContact O-CB 3.33Å; F1052-V1056 WeakPolarHBondContact O-CG2 3.39Å; F1052-V1056 PolarHBondContact O-N 3.29Å; T1053-V1056 PolarHBondContact O-N 2.84Å; T1053-V1056 VanDerWaalsContact O-N 3.15Å; V1056-F1059 PolarHBondContact O-N 3.16Å; V1056-R1060 VanDerWaalsContact CG1-NH1 3.26Å; V1056-R1060 WeakPolarHBondContact O-CG 3.29Å; V1056-R1060 PolarHBondContact O-N 3.2Å; V1056-L1091 HydrophobicContact CB-CD2 4.38Å; V1056-L1091 HydrophobicContact CG1-CD2 4.03Å; V1056-L1091 HydrophobicContact CG2-CD2 4.47Å; V1056-L1091 WeakPolarHBondContact O-CD2 3.38Å; V1056-L1094 HydrophobicContact CG2-CB 3.45Å; V1056-L1094 VanDerWaalsContact CG2-CB 3.45Å; V1056-L1094 HydrophobicContact CG2-CD1 4.07Å; V1056-L1094 HydrophobicContact CG2-CG 4.4Å; V1056-L1098 HydrophobicContact CG2-CD1 4.13Å |
| 1057 | D | 91.7 | Very high | 90.8 | Very high | 93 Ų | 93 | 32.9 Ų | 32.9 | 50% | 0.497 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -71.6 | -32.8 | 179.6 | -71.2 | -20.9 | 0 | 0 | 0 | 112.3 | T1053 A1055 R1060 A1061 | T1053-D1057 PolarHBondContact O-N 2.78Å; A1055-D1057 PolarHBondContact O-N 3.03Å; D1057-R1060 PolarHBondContact O-N 3.1Å; D1057-R1060 IonicContact OD1-CZ 3.59Å; D1057-R1060 IonicContact OD1-NH1 3.89Å; D1057-R1060 PolarHBondContact OD1-NH1 3.04Å; D1057-A1061 WeakPolarHBondContact O-CB 3.39Å; D1057-A1061 PolarHBondContact O-N 3.11Å |
| 1058 | S | 92.5 | Very high | 90.9 | Very high | 40 Ų | 40 | 33.3 Ų | 33.3 | 28% | 0.28 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -65.8 | -45 | 171.6 | -59.9 | 0 | 0 | 0 | 0 | 112.3 | L1046 D1054 A1055 R1060 A1061 L1062 | L1046-S1058 VanDerWaalsContact CD1-OG 3.29Å; L1046-S1058 WeakPolarHBondContact CD1-OG 3.16Å; D1054-S1058 WeakPolarHBondContact O-CB 3.22Å; D1054-S1058 PolarHBondContact O-N 3.47Å; D1054-S1058 PolarHBondContact O-OG 3.07Å; A1055-S1058 PolarHBondContact O-N 2.88Å; S1058-R1060 VanDerWaalsContact C-N 3.35Å; S1058-R1060 PolarHBondContact O-N 3.14Å; S1058-A1061 PolarHBondContact O-N 2.78Å; S1058-L1062 VanDerWaalsContact O-CB 3.3Å; S1058-L1062 WeakPolarHBondContact O-CB 3.18Å; S1058-L1062 PolarHBondContact O-N 3.08Å |
| 1059 | F | 94.6 | Very high | 91 | Very high | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -64.9 | -35.6 | 174.8 | -83.5 | -66 | 0 | 0 | 0 | 112.2 | L1040 C1043 Y1044 T1047 A1055 V1056 L1062 L1063 Y1090 L1091 L1094 | L1040-F1059 HydrophobicContact CD1-CE1 3.75Å; C1043-F1059 HydrophobicContact CB-CD1 3.93Å; C1043-F1059 HydrophobicContact CB-CD2 4.07Å; C1043-F1059 HydrophobicContact CB-CE1 3.61Å; C1043-F1059 HydrophobicContact CB-CE2 3.73Å; C1043-F1059 HydrophobicContact CB-CG 4.14Å; C1043-F1059 HydrophobicContact CB-CZ 3.49Å; C1043-F1059 VanDerWaalsContact CB-CZ 3.49Å; Y1044-F1059 HydrophobicContact CD1-CZ 4.15Å; Y1044-F1059 HydrophobicContact CE1-CZ 4.27Å; T1047-F1059 WeakPolarHBondContact OG1-CE2 3.48Å; A1055-F1059 WeakPolarHBondContact O-CB 3.42Å; A1055-F1059 WeakPolarHBondContact O-CD2 3.45Å; A1055-F1059 PolarHBondContact O-N 2.69Å; V1056-F1059 PolarHBondContact O-N 3.16Å; F1059-L1062 HydrophobicContact CD1-CD2 4.42Å; F1059-L1063 VanDerWaalsContact O-CB 3.26Å; F1059-L1063 WeakPolarHBondContact O-CB 3.23Å; F1059-L1063 PolarHBondContact O-N 3.37Å; F1059-Y1090 HydrophobicContact CE1-CD1 4.28Å; F1059-Y1090 HydrophobicContact CE1-CD2 4.47Å; F1059-Y1090 AromaticContact CE1-CG 3.98Å; F1059-Y1090 HydrophobicContact CE1-CG 3.98Å; F1059-Y1090 AromaticContact CE2-CD1 3.55Å; F1059-Y1090 HydrophobicContact CE2-CD1 3.55Å; F1059-Y1090 HydrophobicContact CE2-CE1 4.44Å; F1059-Y1090 AromaticContact CE2-CG 3.86Å; F1059-Y1090 HydrophobicContact CE2-CG 3.86Å; F1059-Y1090 AromaticContact CZ-CD1 3.33Å; F1059-Y1090 HydrophobicContact CZ-CD1 3.33Å; F1059-Y1090 HydrophobicContact CZ-CD2 4.24Å; F1059-Y1090 AromaticContact CZ-CE1 3.98Å; F1059-Y1090 HydrophobicContact CZ-CE1 3.98Å; F1059-Y1090 AromaticContact CZ-CG 3.47Å; F1059-Y1090 HydrophobicContact CZ-CG 3.47Å; F1059-Y1090 VanDerWaalsContact CZ-CG 3.47Å; F1059-L1091 HydrophobicContact CB-CD1 4.34Å; F1059-L1091 HydrophobicContact CB-CD2 3.66Å; F1059-L1091 HydrophobicContact CB-CG 3.82Å; F1059-L1094 HydrophobicContact CD2-CD1 3.9Å; F1059-L1094 HydrophobicContact CE2-CD1 3.97Å |
| 1060 | R | 93.3 | Very high | 91.2 | Very high | 42 Ų | 42 | 27.5 Ų | 27.5 | 16% | 0.158 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -65.3 | -46.4 | 171.5 | -75.2 | 173.9 | -175.1 | 145.1 | 1.4 | 111.5 | V1056 D1057 S1058 L1062 L1063 L1064 L1091 Q1235 | V1056-R1060 VanDerWaalsContact CG1-NH1 3.26Å; V1056-R1060 WeakPolarHBondContact O-CG 3.29Å; V1056-R1060 PolarHBondContact O-N 3.2Å; D1057-R1060 PolarHBondContact O-N 3.1Å; D1057-R1060 IonicContact OD1-CZ 3.59Å; D1057-R1060 IonicContact OD1-NH1 3.89Å; D1057-R1060 PolarHBondContact OD1-NH1 3.04Å; S1058-R1060 VanDerWaalsContact C-N 3.35Å; S1058-R1060 PolarHBondContact O-N 3.14Å; R1060-L1062 VanDerWaalsContact C-N 3.3Å; R1060-L1062 PolarHBondContact O-N 2.89Å; R1060-L1063 PolarHBondContact O-N 3.49Å; R1060-L1064 WeakPolarHBondContact O-CB 3.38Å; R1060-L1064 VanDerWaalsContact O-CG 3.26Å; R1060-L1064 WeakPolarHBondContact O-CG 3.3Å; R1060-L1064 PolarHBondContact O-N 3.25Å; R1060-L1091 HydrophobicContact CG-CD1 4.18Å; R1060-L1091 HydrophobicContact CG-CD2 3.82Å; R1060-Q1235 VanDerWaalsContact CZ-NE2 3.28Å |
| 1061 | A | 91.3 | Very high | 91.5 | Very high | 43 Ų | 43 | 27.7 Ų | 27.7 | 36% | 0.355 | 15% | 0.154 | S | C | . | . | H | α-helix | trans | -62.8 | -37.5 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | H988 D1057 S1058 S1065 | H988-A1061 PolarHBondContact NE2-O 2.87Å; H988-A1061 VanDerWaalsContact NE2-O 3.14Å; D1057-A1061 WeakPolarHBondContact O-CB 3.39Å; D1057-A1061 PolarHBondContact O-N 3.11Å; S1058-A1061 PolarHBondContact O-N 2.78Å; A1061-S1065 PolarHBondContact O-N 2.83Å; A1061-S1065 PolarHBondContact O-OG 2.91Å |
| 1062 | L | 92.9 | Very high | 91.2 | Very high | 1 Ų | 1 | 27.2 Ų | 27.2 | 1% | 0.005 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -63.5 | -52.5 | 172.3 | -177.8 | 60.6 | 0 | 0 | 0 | 111 | L1036 Q1039 L1040 S1058 F1059 R1060 L1064 S1065 L1083 | L1036-L1062 HydrophobicContact CB-CD1 3.75Å; L1036-L1062 HydrophobicContact CD1-CD1 4.49Å; L1036-L1062 HydrophobicContact CD2-CD1 4.11Å; L1036-L1062 HydrophobicContact CG-CD1 4.31Å; Q1039-L1062 HydrophobicContact CB-CD1 3.96Å; L1040-L1062 HydrophobicContact CB-CD2 4.01Å; L1040-L1062 HydrophobicContact CD1-CD2 3.78Å; S1058-L1062 VanDerWaalsContact O-CB 3.3Å; S1058-L1062 WeakPolarHBondContact O-CB 3.18Å; S1058-L1062 PolarHBondContact O-N 3.08Å; F1059-L1062 HydrophobicContact CD1-CD2 4.42Å; R1060-L1062 VanDerWaalsContact C-N 3.3Å; R1060-L1062 PolarHBondContact O-N 2.89Å; L1062-L1064 PolarHBondContact O-N 3.32Å; L1062-S1065 WeakPolarHBondContact O-CB 3.2Å; L1062-S1065 PolarHBondContact O-N 3.47Å; L1062-L1083 HydrophobicContact CD2-CD1 4.39Å |
| 1063 | L | 93.4 | Very high | 91 | Very high | 1 Ų | 1 | 30.4 Ų | 30.4 | 1% | 0.005 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -55.3 | -47.6 | 177.3 | 178.9 | 64.5 | 0 | 0 | 0 | 111.9 | F1059 R1060 S1065 I1066 P1067 I1084 C1087 L1091 F1217 C1218 C1234 | F1059-L1063 VanDerWaalsContact O-CB 3.26Å; F1059-L1063 WeakPolarHBondContact O-CB 3.23Å; F1059-L1063 PolarHBondContact O-N 3.37Å; R1060-L1063 PolarHBondContact O-N 3.49Å; L1063-S1065 PolarHBondContact O-N 2.79Å; L1063-I1066 HydrophobicContact CD1-CD1 4.4Å; L1063-I1066 PolarHBondContact O-N 2.81Å; L1063-I1066 VanDerWaalsContact O-N 3.16Å; L1063-P1067 WeakPolarHBondContact O-CD 3.11Å; L1063-I1084 HydrophobicContact CD1-CB 4.37Å; L1063-I1084 HydrophobicContact CD1-CG1 4.1Å; L1063-I1084 HydrophobicContact CD1-CG2 4.07Å; L1063-C1087 HydrophobicContact CB-CB 4.15Å; L1063-C1087 HydrophobicContact CD1-CB 4.16Å; L1063-L1091 HydrophobicContact CD2-CD1 3.96Å; L1063-F1217 HydrophobicContact CD1-CE1 4.19Å; L1063-F1217 HydrophobicContact CD1-CE2 4.34Å; L1063-F1217 HydrophobicContact CD1-CZ 3.85Å; L1063-F1217 HydrophobicContact CD2-CE1 4.31Å; L1063-F1217 HydrophobicContact CG-CE1 3.87Å; L1063-F1217 HydrophobicContact CG-CZ 3.89Å; L1063-F1217 WeakPolarHBondContact O-CZ 3.21Å; L1063-C1218 HydrophobicContact CD2-CB 4.29Å; L1063-C1234 HydrophobicContact CD2-CB 3.71Å |
| 1064 | L | 92.9 | Very high | 90.7 | Very high | 10 Ų | 10 | 36.2 Ų | 36.2 | 5% | 0.052 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -66.6 | -16.3 | 178.3 | -67.6 | 170.9 | 0 | 0 | 0 | 113.9 | P984 F985 R1060 L1062 F1217 V1236 | P984-L1064 HydrophobicContact CB-CD1 3.58Å; F985-L1064 HydrophobicContact CD2-CD2 4.47Å; F985-L1064 HydrophobicContact CE1-CB 4.35Å; F985-L1064 HydrophobicContact CE1-CD2 4.01Å; F985-L1064 WeakPolarHBondContact CE1-O 3.4Å; F985-L1064 HydrophobicContact CE2-CD2 3.96Å; F985-L1064 HydrophobicContact CZ-CD2 3.71Å; R1060-L1064 WeakPolarHBondContact O-CB 3.38Å; R1060-L1064 VanDerWaalsContact O-CG 3.26Å; R1060-L1064 WeakPolarHBondContact O-CG 3.3Å; R1060-L1064 PolarHBondContact O-N 3.25Å; L1062-L1064 PolarHBondContact O-N 3.32Å; L1064-F1217 HydrophobicContact CD2-CE1 4.49Å; L1064-V1236 HydrophobicContact CD2-CB 4.49Å; L1064-V1236 HydrophobicContact CD2-CG1 3.61Å; L1064-V1236 HydrophobicContact CD2-CG2 4.05Å |
| 1065 | S | 91.8 | Very high | 90.7 | Very high | 15 Ų | 15 | 37.8 Ų | 37.8 | 11% | 0.105 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -81.5 | -22.1 | 175 | -58.1 | 0 | 0 | 0 | 0 | 112.9 | H988 A1061 L1062 L1063 L1068 | H988-S1065 PolarHBondContact CD2-OG 2.78Å; H988-S1065 PolarHBondContact NE2-OG 3.04Å; A1061-S1065 PolarHBondContact O-N 2.83Å; A1061-S1065 PolarHBondContact O-OG 2.91Å; L1062-S1065 WeakPolarHBondContact O-CB 3.2Å; L1062-S1065 PolarHBondContact O-N 3.47Å; L1063-S1065 PolarHBondContact O-N 2.79Å; S1065-L1068 PolarHBondContact O-N 3.23Å; S1065-L1068 VanDerWaalsContact O-N 3.14Å |
| 1066 | I | 93 | Very high | 90.5 | Very high | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 20% | 0.203 | C | C | . | . | G | 310 helix | trans | -64.4 | -43.7 | -174.9 | -58.5 | 171 | 0 | 0 | 0 | 112.8 | L1036 L1063 L1068 L1069 A1080 L1083 I1084 L1246 I1248 | L1036-I1066 HydrophobicContact CD1-CG1 3.87Å; L1063-I1066 HydrophobicContact CD1-CD1 4.4Å; L1063-I1066 PolarHBondContact O-N 2.81Å; L1063-I1066 VanDerWaalsContact O-N 3.16Å; I1066-L1068 PolarHBondContact O-N 3.45Å; I1066-L1069 HydrophobicContact CG2-CD1 4.24Å; I1066-L1069 WeakPolarHBondContact O-CB 3.47Å; I1066-L1069 WeakPolarHBondContact O-CG 3.39Å; I1066-L1069 PolarHBondContact O-N 3.16Å; I1066-L1069 VanDerWaalsContact O-N 3.14Å; I1066-A1080 HydrophobicContact CG2-CB 4.28Å; I1066-L1083 HydrophobicContact CD1-CB 4.14Å; I1066-L1083 HydrophobicContact CD1-CD2 3.81Å; I1066-L1083 HydrophobicContact CD1-CG 3.75Å; I1066-L1083 HydrophobicContact CG1-CD2 4.05Å; I1066-I1084 HydrophobicContact CB-CG1 4.42Å; I1066-I1084 HydrophobicContact CD1-CG1 3.58Å; I1066-I1084 HydrophobicContact CG2-CD1 3.96Å; I1066-I1084 HydrophobicContact CG2-CG1 3.99Å; I1066-L1246 HydrophobicContact CG2-CD2 4.26Å; I1066-I1248 WeakPolarHBondContact O-CG2 3.3Å |
| 1067 | P | 91.7 | Very high | 90.4 | Very high | 7 Ų | 7 | 40 Ų | 40 | 5% | 0.045 | 21% | 0.205 | C | C | . | . | G | 310 helix | trans | -63 | -9 | 174.5 | -24.2 | 35.7 | 0 | 0 | 0 | 115.6 | L973 I977 L1063 F1217 L1246 | L973-P1067 HydrophobicContact CD2-CB 3.96Å; I977-P1067 HydrophobicContact CD1-CB 4.14Å; I977-P1067 HydrophobicContact CD1-CG 3.71Å; L1063-P1067 WeakPolarHBondContact O-CD 3.11Å; P1067-F1217 HydrophobicContact CG-CE1 4.44Å; P1067-F1217 HydrophobicContact CG-CE2 3.55Å; P1067-F1217 HydrophobicContact CG-CZ 3.5Å; P1067-F1217 VanDerWaalsContact CG-CZ 3.5Å; P1067-L1246 HydrophobicContact CB-CD1 4.35Å; P1067-L1246 HydrophobicContact CG-CD1 4.29Å |
| 1068 | L | 90.4 | Very high | 90.3 | Very high | 12 Ų | 12 | 39.5 Ų | 39.5 | 6% | 0.063 | 20% | 0.201 | C | C | . | . | G | 310 helix | trans | -103.6 | 2.9 | 179.6 | -58.3 | 176.8 | 0 | 0 | 0 | 113 | V957 V958 V961 H988 F989 S1065 I1066 | V957-L1068 HydrophobicContact CG1-CD2 3.98Å; V958-L1068 HydrophobicContact CB-CB 4.37Å; V958-L1068 HydrophobicContact CB-CD2 4.29Å; V958-L1068 WeakPolarHBondContact CB-O 3.03Å; V958-L1068 HydrophobicContact CG2-CB 4.42Å; V961-L1068 HydrophobicContact CG2-CD2 4.36Å; H988-L1068 HydrophobicContact CB-CD1 3.7Å; F989-L1068 HydrophobicContact CD1-CD1 4.48Å; F989-L1068 HydrophobicContact CE1-CD2 4.11Å; S1065-L1068 PolarHBondContact O-N 3.23Å; S1065-L1068 VanDerWaalsContact O-N 3.14Å; I1066-L1068 PolarHBondContact O-N 3.45Å |
| 1069 | L | 90.8 | Very high | 90.2 | Very high | 3 Ų | 3 | 40.3 Ų | 40.3 | 2% | 0.016 | 20% | 0.202 | C | C | . | . | trans | -69.2 | 153.3 | 171.4 | -69.3 | 176.6 | 0 | 0 | 0 | 112.1 | L1033 L1036 I1066 A1080 I1248 | L1033-L1069 HydrophobicContact CD1-CD1 4.12Å; L1036-L1069 HydrophobicContact CD1-CD1 3.84Å; L1036-L1069 HydrophobicContact CD1-CD2 3.86Å; L1036-L1069 HydrophobicContact CD1-CG 3.99Å; L1036-L1069 HydrophobicContact CG-CD2 4.2Å; I1066-L1069 HydrophobicContact CG2-CD1 4.24Å; I1066-L1069 WeakPolarHBondContact O-CB 3.47Å; I1066-L1069 WeakPolarHBondContact O-CG 3.39Å; I1066-L1069 PolarHBondContact O-N 3.16Å; I1066-L1069 VanDerWaalsContact O-N 3.14Å; L1069-A1080 HydrophobicContact CD1-CB 4.27Å; L1069-I1248 HydrophobicContact CB-CB 4.44Å; L1069-I1248 HydrophobicContact CB-CG2 4.37Å | ||
| 1070 | V | 89 | Confident | 90 | Very high | 33 Ų | 33 | 40.3 Ų | 40.3 | 20% | 0.2 | 20% | 0.202 | C | C | . | . | trans | -125.2 | 120.7 | 160.7 | 179.3 | 0 | 0 | 0 | 0 | 108.4 | L956 V958 V1029 I1248 | L956-V1070 HydrophobicContact CD1-CG1 3.94Å; L956-V1070 HydrophobicContact CD1-CG2 3.98Å; V958-V1070 HydrophobicContact CG1-CG2 3.47Å; V958-V1070 VanDerWaalsContact CG1-CG2 3.47Å; V1029-V1070 HydrophobicContact CG1-CG2 4.46Å; V1029-V1070 HydrophobicContact CG2-CB 4.3Å; V1029-V1070 HydrophobicContact CG2-CG2 3.79Å; V1070-I1248 WeakPolarHBondContact CA-O 3.46Å | ||
| 1071 | V | 87.6 | Confident | 89.9 | Confident | 7 Ų | 7 | 42.2 Ų | 42.2 | 4% | 0.042 | 21% | 0.213 | C | C | . | . | trans | -124.1 | 137.5 | -178.8 | -63.5 | 0 | 0 | 0 | 0 | 111 | D1076 V1077 I1248 S1249 | V1071-D1076 HydrophobicContact CB-CB 3.56Å; V1071-D1076 HydrophobicContact CG1-CB 3.73Å; V1071-D1076 HydrophobicContact CG2-CB 4.08Å; V1071-V1077 HydrophobicContact CG2-CG2 3.54Å; V1071-I1248 HydrophobicContact CG2-CB 4.4Å; V1071-I1248 HydrophobicContact CG2-CD1 3.74Å; V1071-I1248 HydrophobicContact CG2-CG1 3.82Å; V1071-I1248 PolarHBondContact N-O 2.6Å; V1071-S1249 WeakPolarHBondContact O-CA 3.43Å; V1071-S1249 WeakPolarHBondContact O-CB 3.11Å; V1071-S1249 PolarHBondContact O-OG 3.19Å | ||
| 1072 | D | 83.4 | Confident | 89.9 | Confident | 102 Ų | 102 | 45.6 Ų | 45.6 | 55% | 0.545 | 22% | 0.222 | S | C | . | . | S | Bend | trans | -94.1 | -19.3 | -169.7 | -70.9 | -38.6 | 0 | 0 | 0 | 112.4 | K1015 | K1015-D1072 IonicContact NZ-OD1 2.92Å; K1015-D1072 IonicContact NZ-OD2 3.99Å; K1015-D1072 PolarHBondContact NZ-OD2 3.05Å |
| 1073 | N | 84.8 | Confident | 89.9 | Confident | 72 Ų | 72 | 46 Ų | 46 | 39% | 0.385 | 22% | 0.224 | S | C | . | . | S | Bend | trans | -120.3 | 167 | -177.7 | 83.2 | 57.9 | 0 | 0 | 0 | 113.1 | Q1075 D1076 | N1073-Q1075 WeakPolarHBondContact OD1-CA 3.3Å; N1073-Q1075 VanDerWaalsContact OD1-CB 3.31Å; N1073-Q1075 WeakPolarHBondContact OD1-CB 3.45Å; N1073-Q1075 PolarHBondContact OD1-N 2.96Å; N1073-D1076 VanDerWaalsContact CG-CG 3.41Å; N1073-D1076 PolarHBondContact ND2-OD1 2.86Å; N1073-D1076 PolarHBondContact ND2-OD2 3.18Å; N1073-D1076 PolarHBondContact OD1-N 3.1Å; N1073-D1076 PolarHBondContact OD1-OD1 3.46Å |
| 1074 | R | 86.1 | Confident | 89.9 | Confident | 202 Ų | 202 | 46.5 Ų | 46.5 | 76% | 0.762 | 23% | 0.226 | S | C | * | . | H | α-helix | trans | -78.8 | -24.3 | -177.8 | -176.4 | 174 | 177.1 | 171.9 | 0.2 | 114 | V1077 L1078 | R1074-V1077 PolarHBondContact O-N 2.9Å; R1074-L1078 PolarHBondContact O-N 3.44Å |
| 1075 | Q | 88.9 | Confident | 89.9 | Confident | 107 Ų | 107 | 50.8 Ų | 50.8 | 50% | 0.5 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -69.1 | -47.7 | 176.9 | -173.5 | 59.9 | 45.3 | 0 | 0 | 110.3 | N1073 V1077 L1078 D1079 | N1073-Q1075 WeakPolarHBondContact OD1-CA 3.3Å; N1073-Q1075 VanDerWaalsContact OD1-CB 3.31Å; N1073-Q1075 WeakPolarHBondContact OD1-CB 3.45Å; N1073-Q1075 PolarHBondContact OD1-N 2.96Å; Q1075-V1077 PolarHBondContact O-N 3.13Å; Q1075-L1078 WeakPolarHBondContact O-CA 3.47Å; Q1075-L1078 WeakPolarHBondContact O-CB 3.26Å; Q1075-L1078 PolarHBondContact O-N 3.21Å; Q1075-D1079 PolarHBondContact NE2-OD1 2.98Å; Q1075-D1079 VanDerWaalsContact O-CG 3.29Å; Q1075-D1079 PolarHBondContact O-N 2.84Å |
| 1076 | D | 88.8 | Confident | 90 | Very high | 40 Ų | 40 | 51.9 Ų | 51.9 | 21% | 0.214 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -54.3 | -31 | 175.2 | -58.1 | -9.4 | 0 | 0 | 0 | 112.7 | L1033 V1071 N1073 A1080 | L1033-D1076 HydrophobicContact CD2-CB 4.21Å; V1071-D1076 HydrophobicContact CB-CB 3.56Å; V1071-D1076 HydrophobicContact CG1-CB 3.73Å; V1071-D1076 HydrophobicContact CG2-CB 4.08Å; N1073-D1076 VanDerWaalsContact CG-CG 3.41Å; N1073-D1076 PolarHBondContact ND2-OD1 2.86Å; N1073-D1076 PolarHBondContact ND2-OD2 3.18Å; N1073-D1076 PolarHBondContact OD1-N 3.1Å; N1073-D1076 PolarHBondContact OD1-OD1 3.46Å; D1076-A1080 VanDerWaalsContact O-CB 3.23Å; D1076-A1080 WeakPolarHBondContact O-CB 3.35Å; D1076-A1080 PolarHBondContact O-N 3.35Å |
| 1077 | V | 88.6 | Confident | 90 | Very high | 11 Ų | 11 | 51.9 Ų | 51.9 | 7% | 0.067 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -70.7 | -41 | 175.2 | 176.4 | 0 | 0 | 0 | 0 | 111.4 | V1071 R1074 Q1075 Q1081 I1248 Q1252 | V1071-V1077 HydrophobicContact CG2-CG2 3.54Å; R1074-V1077 PolarHBondContact O-N 2.9Å; Q1075-V1077 PolarHBondContact O-N 3.13Å; V1077-Q1081 VanDerWaalsContact O-CG 3.31Å; V1077-Q1081 WeakPolarHBondContact O-CG 3.07Å; V1077-Q1081 PolarHBondContact O-N 2.93Å; V1077-I1248 HydrophobicContact CG2-CG1 4.4Å; V1077-Q1252 HydrophobicContact CG2-CG 4.48Å |
| 1078 | L | 90.3 | Very high | 90.1 | Very high | 82 Ų | 82 | 53.4 Ų | 53.4 | 43% | 0.429 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -67.4 | -42.3 | 174.5 | -64.8 | 172.5 | 0 | 0 | 0 | 110.7 | R1074 Q1075 A1080 Q1081 Q1082 | R1074-L1078 PolarHBondContact O-N 3.44Å; Q1075-L1078 WeakPolarHBondContact O-CA 3.47Å; Q1075-L1078 WeakPolarHBondContact O-CB 3.26Å; Q1075-L1078 PolarHBondContact O-N 3.21Å; L1078-A1080 VanDerWaalsContact C-N 3.33Å; L1078-A1080 PolarHBondContact O-N 3.45Å; L1078-Q1081 WeakPolarHBondContact O-CB 3.22Å; L1078-Q1081 PolarHBondContact O-N 3.44Å; L1078-Q1081 VanDerWaalsContact O-N 3.14Å; L1078-Q1082 PolarHBondContact O-N 3.02Å |
| 1079 | D | 90.6 | Very high | 90.2 | Very high | 56 Ų | 56 | 54 Ų | 54 | 30% | 0.299 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -63.8 | -39 | 177.7 | -60.4 | -6 | 0 | 0 | 0 | 111 | L1033 Q1075 Q1082 L1083 | L1033-D1079 HydrophobicContact CD2-CB 3.85Å; Q1075-D1079 PolarHBondContact NE2-OD1 2.98Å; Q1075-D1079 VanDerWaalsContact O-CG 3.29Å; Q1075-D1079 PolarHBondContact O-N 2.84Å; D1079-Q1082 PolarHBondContact O-N 2.89Å; D1079-L1083 WeakPolarHBondContact O-CB 3.44Å; D1079-L1083 PolarHBondContact O-N 2.81Å |
| 1080 | A | 90.3 | Very high | 90.4 | Very high | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -68.1 | -34 | 172.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | L1033 I1066 L1069 D1076 L1078 L1083 I1084 I1248 | L1033-A1080 HydrophobicContact CD1-CB 4.31Å; I1066-A1080 HydrophobicContact CG2-CB 4.28Å; L1069-A1080 HydrophobicContact CD1-CB 4.27Å; D1076-A1080 VanDerWaalsContact O-CB 3.23Å; D1076-A1080 WeakPolarHBondContact O-CB 3.35Å; D1076-A1080 PolarHBondContact O-N 3.35Å; L1078-A1080 VanDerWaalsContact C-N 3.33Å; L1078-A1080 PolarHBondContact O-N 3.45Å; A1080-L1083 PolarHBondContact O-N 2.86Å; A1080-I1084 PolarHBondContact O-N 3.23Å; A1080-I1084 VanDerWaalsContact O-N 3.16Å; A1080-I1248 HydrophobicContact CB-CD1 3.54Å |
| 1081 | Q | 91.4 | Very high | 90.6 | Very high | 83 Ų | 83 | 52.5 Ų | 52.5 | 39% | 0.388 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -67.2 | -44.3 | 171.8 | -75.7 | 173.3 | -16.5 | 0 | 0 | 111.1 | V1077 L1078 L1083 I1084 E1085 | V1077-Q1081 VanDerWaalsContact O-CG 3.31Å; V1077-Q1081 WeakPolarHBondContact O-CG 3.07Å; V1077-Q1081 PolarHBondContact O-N 2.93Å; L1078-Q1081 WeakPolarHBondContact O-CB 3.22Å; L1078-Q1081 PolarHBondContact O-N 3.44Å; L1078-Q1081 VanDerWaalsContact O-N 3.14Å; Q1081-L1083 VanDerWaalsContact C-N 3.26Å; Q1081-L1083 PolarHBondContact O-N 3.44Å; Q1081-I1084 WeakPolarHBondContact O-CB 3.33Å; Q1081-I1084 PolarHBondContact O-N 3.15Å; Q1081-E1085 PolarHBondContact O-N 2.75Å |
| 1082 | Q | 92 | Very high | 90.9 | Very high | 114 Ų | 114 | 52.8 Ų | 52.8 | 53% | 0.533 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -59.8 | -36.9 | 173.7 | -169.8 | -179.8 | 15 | 0 | 0 | 111.6 | L1078 D1079 I1084 E1085 I1086 | L1078-Q1082 PolarHBondContact O-N 3.02Å; D1079-Q1082 PolarHBondContact O-N 2.89Å; Q1082-I1084 VanDerWaalsContact C-N 3.35Å; Q1082-I1084 PolarHBondContact O-N 3.18Å; Q1082-E1085 WeakPolarHBondContact O-CB 3.49Å; Q1082-E1085 PolarHBondContact O-N 3.48Å; Q1082-I1086 HydrophobicContact CG-CD1 4.3Å; Q1082-I1086 WeakPolarHBondContact O-CG1 3.43Å; Q1082-I1086 PolarHBondContact O-N 3.09Å |
| 1083 | L | 92.6 | Very high | 91.3 | Very high | 10 Ų | 10 | 48 Ų | 48 | 5% | 0.052 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -64.3 | -36.9 | 174 | -173 | 63.6 | 0 | 0 | 0 | 112.5 | L1033 L1036 L1040 L1062 I1066 D1079 A1080 Q1081 C1087 | L1033-L1083 HydrophobicContact CD1-CD2 4.48Å; L1036-L1083 HydrophobicContact CB-CD2 3.88Å; L1036-L1083 HydrophobicContact CD1-CD2 4.06Å; L1040-L1083 HydrophobicContact CB-CD1 4.5Å; L1040-L1083 HydrophobicContact CD1-CD1 4.14Å; L1040-L1083 HydrophobicContact CD2-CD1 3.75Å; L1040-L1083 HydrophobicContact CG-CD1 4.35Å; L1062-L1083 HydrophobicContact CD2-CD1 4.39Å; I1066-L1083 HydrophobicContact CD1-CB 4.14Å; I1066-L1083 HydrophobicContact CD1-CD2 3.81Å; I1066-L1083 HydrophobicContact CD1-CG 3.75Å; I1066-L1083 HydrophobicContact CG1-CD2 4.05Å; D1079-L1083 WeakPolarHBondContact O-CB 3.44Å; D1079-L1083 PolarHBondContact O-N 2.81Å; A1080-L1083 PolarHBondContact O-N 2.86Å; Q1081-L1083 VanDerWaalsContact C-N 3.26Å; Q1081-L1083 PolarHBondContact O-N 3.44Å; L1083-C1087 WeakPolarHBondContact O-CB 3.5Å; L1083-C1087 PolarHBondContact O-N 3.08Å; L1083-C1087 PolarHBondContact O-SG 3.07Å |
| 1084 | I | 93.2 | Very high | 91.6 | Very high | 11 Ų | 11 | 44.6 Ų | 44.6 | 6% | 0.056 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -63 | -43.3 | 171.7 | -68.9 | 171.9 | 0 | 0 | 0 | 110.6 | L1063 I1066 A1080 Q1081 Q1082 C1087 R1088 F1217 C1218 L1246 | L1063-I1084 HydrophobicContact CD1-CB 4.37Å; L1063-I1084 HydrophobicContact CD1-CG1 4.1Å; L1063-I1084 HydrophobicContact CD1-CG2 4.07Å; I1066-I1084 HydrophobicContact CB-CG1 4.42Å; I1066-I1084 HydrophobicContact CD1-CG1 3.58Å; I1066-I1084 HydrophobicContact CG2-CD1 3.96Å; I1066-I1084 HydrophobicContact CG2-CG1 3.99Å; A1080-I1084 PolarHBondContact O-N 3.23Å; A1080-I1084 VanDerWaalsContact O-N 3.16Å; Q1081-I1084 WeakPolarHBondContact O-CB 3.33Å; Q1081-I1084 PolarHBondContact O-N 3.15Å; Q1082-I1084 VanDerWaalsContact C-N 3.35Å; Q1082-I1084 PolarHBondContact O-N 3.18Å; I1084-C1087 PolarHBondContact O-N 3.03Å; I1084-R1088 WeakPolarHBondContact O-CB 3.33Å; I1084-R1088 PolarHBondContact O-N 3.43Å; I1084-F1217 HydrophobicContact CD1-CE2 4.1Å; I1084-C1218 HydrophobicContact CG2-CB 4.39Å; I1084-L1246 HydrophobicContact CD1-CD2 3.75Å |
| 1085 | E | 92.7 | Very high | 91.8 | Very high | 100 Ų | 100 | 36 Ų | 36 | 47% | 0.467 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -61.2 | -49.6 | 177 | -62.9 | -173.5 | 148.3 | 0 | 0 | 111.2 | Q1081 Q1082 C1087 R1088 E1089 | Q1081-E1085 PolarHBondContact O-N 2.75Å; Q1082-E1085 WeakPolarHBondContact O-CB 3.49Å; Q1082-E1085 PolarHBondContact O-N 3.48Å; E1085-C1087 VanDerWaalsContact C-N 3.34Å; E1085-C1087 PolarHBondContact O-N 3.27Å; E1085-R1088 WeakPolarHBondContact O-CB 3.49Å; E1085-R1088 PolarHBondContact O-N 2.89Å; E1085-R1088 VanDerWaalsContact O-N 3.14Å; E1085-E1089 VanDerWaalsContact O-CG 3.28Å; E1085-E1089 WeakPolarHBondContact O-CG 3.43Å; E1085-E1089 PolarHBondContact O-N 3.22Å |
| 1086 | I | 93.1 | Very high | 91.9 | Very high | 38 Ų | 38 | 31 Ų | 31 | 20% | 0.195 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -54.9 | -49.9 | 175.1 | -67.3 | 164.9 | 0 | 0 | 0 | 110.4 | L1040 Y1044 Q1082 R1088 E1089 Y1090 | L1040-I1086 HydrophobicContact CD1-CG2 3.92Å; Y1044-I1086 HydrophobicContact CE1-CG2 4.36Å; Y1044-I1086 WeakPolarHBondContact OH-CG2 3.34Å; Q1082-I1086 HydrophobicContact CG-CD1 4.3Å; Q1082-I1086 WeakPolarHBondContact O-CG1 3.43Å; Q1082-I1086 PolarHBondContact O-N 3.09Å; I1086-R1088 VanDerWaalsContact C-N 3.34Å; I1086-R1088 PolarHBondContact O-N 3.11Å; I1086-E1089 PolarHBondContact O-N 3.03Å; I1086-Y1090 HydrophobicContact CG2-CD2 3.99Å; I1086-Y1090 HydrophobicContact CG2-CE2 4.01Å; I1086-Y1090 VanDerWaalsContact O-CD2 3.27Å; I1086-Y1090 WeakPolarHBondContact O-CD2 3.5Å; I1086-Y1090 PolarHBondContact O-N 3.28Å; I1086-Y1090 VanDerWaalsContact O-N 3.12Å |
| 1087 | C | 93.6 | Very high | 91.9 | Very high | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -60.9 | -41.1 | 178.9 | -66 | 0 | 0 | 0 | 0 | 112.2 | L1063 L1083 I1084 E1085 L1091 | L1063-C1087 HydrophobicContact CB-CB 4.15Å; L1063-C1087 HydrophobicContact CD1-CB 4.16Å; L1083-C1087 WeakPolarHBondContact O-CB 3.5Å; L1083-C1087 PolarHBondContact O-N 3.08Å; L1083-C1087 PolarHBondContact O-SG 3.07Å; I1084-C1087 PolarHBondContact O-N 3.03Å; E1085-C1087 VanDerWaalsContact C-N 3.34Å; E1085-C1087 PolarHBondContact O-N 3.27Å; C1087-L1091 VanDerWaalsContact O-CB 3.24Å; C1087-L1091 WeakPolarHBondContact O-CB 3.37Å; C1087-L1091 WeakPolarHBondContact O-CD1 3.37Å; C1087-L1091 WeakPolarHBondContact O-CG 3.21Å; C1087-L1091 PolarHBondContact O-N 2.82Å |
| 1088 | R | 93.9 | Very high | 92 | Very high | 39 Ų | 39 | 30.9 Ų | 30.9 | 15% | 0.147 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -57.8 | -53.5 | 175.7 | 173.8 | -169.9 | 62 | -122.9 | 6 | 111 | I1084 E1085 I1086 Y1090 L1091 I1092 C1218 A1220 | I1084-R1088 WeakPolarHBondContact O-CB 3.33Å; I1084-R1088 PolarHBondContact O-N 3.43Å; E1085-R1088 WeakPolarHBondContact O-CB 3.49Å; E1085-R1088 PolarHBondContact O-N 2.89Å; E1085-R1088 VanDerWaalsContact O-N 3.14Å; I1086-R1088 VanDerWaalsContact C-N 3.34Å; I1086-R1088 PolarHBondContact O-N 3.11Å; R1088-Y1090 PolarHBondContact O-N 3.28Å; R1088-L1091 PolarHBondContact O-N 2.85Å; R1088-I1092 HydrophobicContact CG-CD1 3.64Å; R1088-I1092 HydrophobicContact CG-CG1 4.31Å; R1088-I1092 VanDerWaalsContact O-CG1 3.31Å; R1088-I1092 WeakPolarHBondContact O-CG1 3.41Å; R1088-I1092 PolarHBondContact O-N 2.78Å; R1088-C1218 WeakPolarHBondContact CD-O 3.19Å; R1088-C1218 PolarHBondContact NH1-O 2.83Å; R1088-A1220 HydrophobicContact CG-CB 4.24Å |
| 1089 | E | 93.4 | Very high | 91.9 | Very high | 25 Ų | 25 | 29.8 Ų | 29.8 | 12% | 0.117 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -64.6 | -41.9 | -172.1 | -62.8 | -63.6 | 137.3 | 0 | 0 | 111.6 | E1085 I1086 G1093 H1125 | E1085-E1089 VanDerWaalsContact O-CG 3.28Å; E1085-E1089 WeakPolarHBondContact O-CG 3.43Å; E1085-E1089 PolarHBondContact O-N 3.22Å; I1086-E1089 PolarHBondContact O-N 3.03Å; E1089-G1093 PolarHBondContact O-N 2.68Å; E1089-H1125 HydrophobicContact CG-CB 4.04Å; E1089-H1125 IonicContact OE2-CD2 3.69Å; E1089-H1125 PolarHBondContact OE2-N 3.07Å; E1089-H1125 VanDerWaalsContact OE2-N 3.16Å |
| 1090 | Y | 94.1 | Very high | 91.9 | Very high | 3 Ų | 3 | 28.3 Ų | 28.3 | 1% | 0.012 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -66.4 | -43.3 | 173.7 | -82.3 | -103.5 | 0 | 0 | 0 | 112.1 | Y1044 T1047 F1059 I1086 R1088 G1093 L1094 L1126 Q1127 H1130 | Y1044-Y1090 AromaticContact CD1-CE1 3.91Å; Y1044-Y1090 HydrophobicContact CD1-CE1 3.91Å; Y1044-Y1090 AromaticContact CD1-CZ 3.84Å; Y1044-Y1090 AromaticContact CE1-CE1 3.94Å; Y1044-Y1090 HydrophobicContact CE1-CE1 3.94Å; Y1044-Y1090 AromaticContact CE1-CE2 3.82Å; Y1044-Y1090 HydrophobicContact CE1-CE2 3.82Å; Y1044-Y1090 AromaticContact CE1-CZ 3.43Å; Y1044-Y1090 VanDerWaalsContact CE1-CZ 3.43Å; Y1044-Y1090 VanDerWaalsContact CE1-OH 3.29Å; Y1044-Y1090 WeakPolarHBondContact CE1-OH 3.34Å; T1047-Y1090 HydrophobicContact CG2-CD1 4.31Å; T1047-Y1090 HydrophobicContact CG2-CE1 4.11Å; F1059-Y1090 HydrophobicContact CE1-CD1 4.28Å; F1059-Y1090 HydrophobicContact CE1-CD2 4.47Å; F1059-Y1090 AromaticContact CE1-CG 3.98Å; F1059-Y1090 HydrophobicContact CE1-CG 3.98Å; F1059-Y1090 AromaticContact CE2-CD1 3.55Å; F1059-Y1090 HydrophobicContact CE2-CD1 3.55Å; F1059-Y1090 HydrophobicContact CE2-CE1 4.44Å; F1059-Y1090 AromaticContact CE2-CG 3.86Å; F1059-Y1090 HydrophobicContact CE2-CG 3.86Å; F1059-Y1090 AromaticContact CZ-CD1 3.33Å; F1059-Y1090 HydrophobicContact CZ-CD1 3.33Å; F1059-Y1090 HydrophobicContact CZ-CD2 4.24Å; F1059-Y1090 AromaticContact CZ-CE1 3.98Å; F1059-Y1090 HydrophobicContact CZ-CE1 3.98Å; F1059-Y1090 AromaticContact CZ-CG 3.47Å; F1059-Y1090 HydrophobicContact CZ-CG 3.47Å; F1059-Y1090 VanDerWaalsContact CZ-CG 3.47Å; I1086-Y1090 HydrophobicContact CG2-CD2 3.99Å; I1086-Y1090 HydrophobicContact CG2-CE2 4.01Å; I1086-Y1090 VanDerWaalsContact O-CD2 3.27Å; I1086-Y1090 WeakPolarHBondContact O-CD2 3.5Å; I1086-Y1090 PolarHBondContact O-N 3.28Å; I1086-Y1090 VanDerWaalsContact O-N 3.12Å; R1088-Y1090 PolarHBondContact O-N 3.28Å; Y1090-G1093 PolarHBondContact O-N 2.58Å; Y1090-L1094 VanDerWaalsContact O-CB 3.28Å; Y1090-L1094 WeakPolarHBondContact O-CB 3.48Å; Y1090-L1094 VanDerWaalsContact O-CG 3.23Å; Y1090-L1094 WeakPolarHBondContact O-CG 3.18Å; Y1090-L1094 PolarHBondContact O-N 3.25Å; Y1090-L1126 HydrophobicContact CD1-CD2 4.02Å; Y1090-L1126 HydrophobicContact CD2-CD2 3.75Å; Y1090-L1126 HydrophobicContact CE1-CD2 4.12Å; Y1090-L1126 HydrophobicContact CE2-CB 4.3Å; Y1090-L1126 HydrophobicContact CE2-CD2 3.88Å; Y1090-L1126 HydrophobicContact CG-CD2 3.85Å; Y1090-Q1127 WeakPolarHBondContact OH-CB 3.27Å; Y1090-Q1127 WeakPolarHBondContact OH-CG 3.37Å; Y1090-Q1127 PolarHBondContact OH-N 3.17Å; Y1090-H1130 AromaticContact CE1-CE1 3.97Å; Y1090-H1130 AromaticContact CE1-ND1 3.43Å; Y1090-H1130 WeakPolarHBondContact CE1-ND1 3.17Å; Y1090-H1130 AromaticContact CZ-ND1 3.59Å; Y1090-H1130 PolarHBondContact OH-ND1 3.45Å |
| 1091 | L | 93.8 | Very high | 91.7 | Very high | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -65.1 | -40.5 | 178.8 | -74.7 | 169.9 | 0 | 0 | 0 | 112.7 | V1056 F1059 R1060 L1063 C1087 R1088 T1095 V1233 | V1056-L1091 HydrophobicContact CB-CD2 4.38Å; V1056-L1091 HydrophobicContact CG1-CD2 4.03Å; V1056-L1091 HydrophobicContact CG2-CD2 4.47Å; V1056-L1091 WeakPolarHBondContact O-CD2 3.38Å; F1059-L1091 HydrophobicContact CB-CD1 4.34Å; F1059-L1091 HydrophobicContact CB-CD2 3.66Å; F1059-L1091 HydrophobicContact CB-CG 3.82Å; R1060-L1091 HydrophobicContact CG-CD1 4.18Å; R1060-L1091 HydrophobicContact CG-CD2 3.82Å; L1063-L1091 HydrophobicContact CD2-CD1 3.96Å; C1087-L1091 VanDerWaalsContact O-CB 3.24Å; C1087-L1091 WeakPolarHBondContact O-CB 3.37Å; C1087-L1091 WeakPolarHBondContact O-CD1 3.37Å; C1087-L1091 WeakPolarHBondContact O-CG 3.21Å; C1087-L1091 PolarHBondContact O-N 2.82Å; R1088-L1091 PolarHBondContact O-N 2.85Å; L1091-T1095 WeakPolarHBondContact O-CB 3.29Å; L1091-T1095 PolarHBondContact O-N 2.95Å; L1091-T1095 PolarHBondContact O-OG1 2.86Å; L1091-V1233 HydrophobicContact CB-CG1 3.76Å; L1091-V1233 HydrophobicContact CD1-CG1 3.96Å |
| 1092 | I | 92.7 | Very high | 91.4 | Very high | 14 Ų | 14 | 36.1 Ų | 36.1 | 7% | 0.072 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -62.2 | -50.7 | 174.9 | -69.2 | 175.5 | 0 | 0 | 0 | 109.8 | R1088 M1096 V1198 P1200 A1220 V1233 | R1088-I1092 HydrophobicContact CG-CD1 3.64Å; R1088-I1092 HydrophobicContact CG-CG1 4.31Å; R1088-I1092 VanDerWaalsContact O-CG1 3.31Å; R1088-I1092 WeakPolarHBondContact O-CG1 3.41Å; R1088-I1092 PolarHBondContact O-N 2.78Å; I1092-M1096 HydrophobicContact CG2-CE 4.02Å; I1092-M1096 VanDerWaalsContact O-CB 3.29Å; I1092-M1096 WeakPolarHBondContact O-CB 3.41Å; I1092-M1096 PolarHBondContact O-N 3.04Å; I1092-V1198 HydrophobicContact CG2-CB 4.45Å; I1092-P1200 HydrophobicContact CD1-CG 4.11Å; I1092-P1200 HydrophobicContact CG1-CG 4.03Å; I1092-A1220 HydrophobicContact CD1-CB 4.17Å; I1092-V1233 HydrophobicContact CD1-CG2 4.43Å; I1092-V1233 HydrophobicContact CG1-CG2 3.74Å |
| 1093 | G | 91.5 | Very high | 91 | Very high | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -61.1 | -51.1 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | E1089 Y1090 T1095 M1096 E1097 F1121 | E1089-G1093 PolarHBondContact O-N 2.68Å; Y1090-G1093 PolarHBondContact O-N 2.58Å; G1093-T1095 PolarHBondContact O-N 3.47Å; G1093-M1096 WeakPolarHBondContact O-CB 3.19Å; G1093-M1096 PolarHBondContact O-N 3.49Å; G1093-E1097 WeakPolarHBondContact O-CB 3.21Å; G1093-E1097 PolarHBondContact O-N 3.4Å; G1093-F1121 VanDerWaalsContact C-CE2 3.47Å |
| 1094 | L | 92.1 | Very high | 90.5 | Very high | 1 Ų | 1 | 36.1 Ų | 36.1 | 1% | 0.005 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -66.3 | -38.2 | -179.8 | -67.2 | 171.1 | 0 | 0 | 0 | 112.7 | T1047 F1052 A1055 V1056 F1059 Y1090 M1096 E1097 L1098 | T1047-L1094 HydrophobicContact CG2-CD2 4.37Å; F1052-L1094 HydrophobicContact CB-CD2 4.3Å; F1052-L1094 HydrophobicContact CD1-CD2 3.5Å; F1052-L1094 VanDerWaalsContact CD1-CD2 3.5Å; F1052-L1094 HydrophobicContact CE1-CD2 4Å; F1052-L1094 HydrophobicContact CG-CD2 4.03Å; A1055-L1094 HydrophobicContact CB-CD1 3.88Å; V1056-L1094 HydrophobicContact CG2-CB 3.45Å; V1056-L1094 VanDerWaalsContact CG2-CB 3.45Å; V1056-L1094 HydrophobicContact CG2-CD1 4.07Å; V1056-L1094 HydrophobicContact CG2-CG 4.4Å; F1059-L1094 HydrophobicContact CD2-CD1 3.9Å; F1059-L1094 HydrophobicContact CE2-CD1 3.97Å; Y1090-L1094 VanDerWaalsContact O-CB 3.28Å; Y1090-L1094 WeakPolarHBondContact O-CB 3.48Å; Y1090-L1094 VanDerWaalsContact O-CG 3.23Å; Y1090-L1094 WeakPolarHBondContact O-CG 3.18Å; Y1090-L1094 PolarHBondContact O-N 3.25Å; L1094-M1096 VanDerWaalsContact C-N 3.3Å; L1094-M1096 PolarHBondContact O-N 2.9Å; L1094-E1097 PolarHBondContact O-N 2.82Å; L1094-L1098 WeakPolarHBondContact O-CG 3.44Å; L1094-L1098 PolarHBondContact O-N 3.43Å |
| 1095 | T | 91 | Very high | 89.8 | Confident | 21 Ų | 21 | 41.3 Ų | 41.3 | 13% | 0.129 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -65.9 | -36.3 | 174.8 | -55.7 | 0 | 0 | 0 | 0 | 111.2 | L1091 G1093 K1099 | L1091-T1095 WeakPolarHBondContact O-CB 3.29Å; L1091-T1095 PolarHBondContact O-N 2.95Å; L1091-T1095 PolarHBondContact O-OG1 2.86Å; G1093-T1095 PolarHBondContact O-N 3.47Å; T1095-K1099 WeakPolarHBondContact O-CG 3.43Å; T1095-K1099 PolarHBondContact O-N 3.38Å; T1095-K1099 VanDerWaalsContact O-N 3.08Å |
| 1096 | M | 90.5 | Very high | 89.1 | Confident | 4 Ų | 4 | 45.1 Ų | 45.1 | 2% | 0.02 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -67.6 | -41.1 | 175.2 | -164.4 | -176.5 | -26 | 0 | 0 | 111.5 | I1092 G1093 L1094 K1099 R1100 M1117 Y1120 F1121 V1198 C1203 | I1092-M1096 HydrophobicContact CG2-CE 4.02Å; I1092-M1096 VanDerWaalsContact O-CB 3.29Å; I1092-M1096 WeakPolarHBondContact O-CB 3.41Å; I1092-M1096 PolarHBondContact O-N 3.04Å; G1093-M1096 WeakPolarHBondContact O-CB 3.19Å; G1093-M1096 PolarHBondContact O-N 3.49Å; L1094-M1096 VanDerWaalsContact C-N 3.3Å; L1094-M1096 PolarHBondContact O-N 2.9Å; M1096-K1099 PolarHBondContact O-N 3.1Å; M1096-R1100 WeakPolarHBondContact O-CB 3.24Å; M1096-R1100 PolarHBondContact O-N 3.34Å; M1096-M1117 HydrophobicContact CG-CB 4.19Å; M1096-M1117 HydrophobicContact CG-CE 3.7Å; M1096-M1117 HydrophobicContact CG-CG 4.39Å; M1096-M1117 VanDerWaalsContact O-CE 3.24Å; M1096-M1117 WeakPolarHBondContact O-CE 3.27Å; M1096-M1117 HydrophobicContact SD-CB 4.36Å; M1096-M1117 VanDerWaalsContact SD-O 3.34Å; M1096-Y1120 HydrophobicContact SD-CD2 4.37Å; M1096-F1121 HydrophobicContact SD-CB 4.49Å; M1096-V1198 HydrophobicContact CE-CB 4.14Å; M1096-V1198 HydrophobicContact CE-CG1 3.76Å; M1096-V1198 HydrophobicContact CE-CG2 4.15Å; M1096-V1198 HydrophobicContact SD-CG1 4.31Å; M1096-C1203 HydrophobicContact CG-CB 4.34Å |
| 1097 | E | 89.6 | Confident | 88.7 | Confident | 7 Ų | 7 | 46.7 Ų | 46.7 | 3% | 0.033 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -66.3 | -39.3 | 176.5 | 179.4 | 58.8 | -163.6 | 0 | 0 | 112.5 | F1052 G1093 L1094 R1100 K1101 F1121 | F1052-E1097 HydrophobicContact CD2-CG 3.85Å; F1052-E1097 HydrophobicContact CE2-CG 3.48Å; F1052-E1097 VanDerWaalsContact CE2-CG 3.48Å; F1052-E1097 HydrophobicContact CZ-CG 4.16Å; G1093-E1097 WeakPolarHBondContact O-CB 3.21Å; G1093-E1097 PolarHBondContact O-N 3.4Å; L1094-E1097 PolarHBondContact O-N 2.82Å; E1097-R1100 VanDerWaalsContact CD-NH2 3.34Å; E1097-R1100 WeakPolarHBondContact O-CB 3.45Å; E1097-R1100 PolarHBondContact O-N 3.05Å; E1097-R1100 IonicContact OE1-CZ 2.84Å; E1097-R1100 IonicContact OE1-NE 3.35Å; E1097-R1100 IonicContact OE1-NH2 3.19Å; E1097-R1100 PolarHBondContact OE1-NH2 2.98Å; E1097-R1100 IonicContact OE2-CZ 2.69Å; E1097-R1100 IonicContact OE2-NE 2.75Å; E1097-R1100 PolarHBondContact OE2-NE 3.08Å; E1097-R1100 IonicContact OE2-NH2 2.79Å; E1097-R1100 PolarHBondContact OE2-NH2 3.36Å; E1097-K1101 PolarHBondContact O-N 2.81Å; E1097-F1121 HydrophobicContact CB-CD1 4.03Å; E1097-F1121 HydrophobicContact CB-CE1 3.68Å; E1097-F1121 HydrophobicContact CB-CZ 4.44Å; E1097-F1121 HydrophobicContact CG-CE1 3.98Å |
| 1098 | L | 90.2 | Very high | 88 | Confident | 41 Ų | 41 | 51.9 Ų | 51.9 | 22% | 0.215 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -61.4 | -52.4 | 171.8 | -73.9 | 170.2 | 0 | 0 | 0 | 111.3 | F1052 T1053 V1056 L1094 R1100 K1101 E1102 | F1052-L1098 HydrophobicContact CB-CD2 3.93Å; F1052-L1098 HydrophobicContact CB-CG 4.18Å; T1053-L1098 HydrophobicContact CG2-CD2 4.3Å; V1056-L1098 HydrophobicContact CG2-CD1 4.13Å; L1094-L1098 WeakPolarHBondContact O-CG 3.44Å; L1094-L1098 PolarHBondContact O-N 3.43Å; L1098-R1100 PolarHBondContact O-N 2.97Å; L1098-K1101 WeakPolarHBondContact O-CB 3.5Å; L1098-K1101 PolarHBondContact O-N 3.5Å; L1098-E1102 WeakPolarHBondContact O-CG 3.39Å; L1098-E1102 PolarHBondContact O-N 3.35Å |
| 1099 | K | 88.1 | Confident | 87.5 | Confident | 59 Ų | 59 | 53.4 Ų | 53.4 | 26% | 0.257 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -55.3 | -38 | 173.6 | -74.7 | 176.3 | 173.3 | -178.5 | 0 | 112.1 | T1095 M1096 E1102 M1103 M1117 P1200 I1201 | T1095-K1099 WeakPolarHBondContact O-CG 3.43Å; T1095-K1099 PolarHBondContact O-N 3.38Å; T1095-K1099 VanDerWaalsContact O-N 3.08Å; M1096-K1099 PolarHBondContact O-N 3.1Å; K1099-E1102 PolarHBondContact O-N 2.87Å; K1099-M1103 WeakPolarHBondContact O-CG 3.05Å; K1099-M1103 PolarHBondContact O-N 3.23Å; K1099-M1117 HydrophobicContact CB-CE 3.77Å; K1099-P1200 PolarHBondContact NZ-O 2.83Å; K1099-I1201 PolarHBondContact NZ-O 3.29Å |
| 1100 | R | 89.4 | Confident | 87.1 | Confident | 24 Ų | 24 | 54.2 Ų | 54.2 | 9% | 0.091 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -67.3 | -32.9 | 177 | -166.3 | -167.4 | 67.1 | 76 | -1.6 | 112.7 | M1096 E1097 L1098 C1114 M1117 | M1096-R1100 WeakPolarHBondContact O-CB 3.24Å; M1096-R1100 PolarHBondContact O-N 3.34Å; E1097-R1100 VanDerWaalsContact CD-NH2 3.34Å; E1097-R1100 WeakPolarHBondContact O-CB 3.45Å; E1097-R1100 PolarHBondContact O-N 3.05Å; E1097-R1100 IonicContact OE1-CZ 2.84Å; E1097-R1100 IonicContact OE1-NE 3.35Å; E1097-R1100 IonicContact OE1-NH2 3.19Å; E1097-R1100 PolarHBondContact OE1-NH2 2.98Å; E1097-R1100 IonicContact OE2-CZ 2.69Å; E1097-R1100 IonicContact OE2-NE 2.75Å; E1097-R1100 PolarHBondContact OE2-NE 3.08Å; E1097-R1100 IonicContact OE2-NH2 2.79Å; E1097-R1100 PolarHBondContact OE2-NH2 3.36Å; L1098-R1100 PolarHBondContact O-N 2.97Å; R1100-C1114 WeakPolarHBondContact CD-O 3.5Å; R1100-C1114 HydrophobicContact CG-CB 4.41Å; R1100-M1117 HydrophobicContact CB-CB 4.5Å; R1100-M1117 HydrophobicContact CB-CE 4.16Å; R1100-M1117 HydrophobicContact CG-CB 4.29Å |
| 1101 | K | 85.9 | Confident | 86.6 | Confident | 94 Ų | 94 | 57.7 Ų | 57.7 | 41% | 0.409 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -72.3 | -32.1 | 173.8 | -76.1 | -175.7 | 172.2 | -172.5 | 0 | 112.2 | E1097 L1098 | E1097-K1101 PolarHBondContact O-N 2.81Å; L1098-K1101 WeakPolarHBondContact O-CB 3.5Å; L1098-K1101 PolarHBondContact O-N 3.5Å |
| 1102 | E | 86.2 | Confident | 86.2 | Confident | 154 Ų | 154 | 58.2 Ų | 58.2 | 72% | 0.72 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -77.1 | -25 | 179.1 | -69.3 | 169 | 179.2 | 0 | 0 | 114.7 | L1098 K1099 | L1098-E1102 WeakPolarHBondContact O-CG 3.39Å; L1098-E1102 PolarHBondContact O-N 3.35Å; K1099-E1102 PolarHBondContact O-N 2.87Å |
| 1103 | M | 82.8 | Confident | 86 | Confident | 46 Ų | 46 | 59.9 Ų | 59.9 | 23% | 0.227 | 31% | 0.306 | C | S | . | . | S | Bend | trans | -66.6 | 144.9 | -178.1 | -75.1 | -168.3 | -50 | 0 | 0 | 113.2 | K1099 R1113 C1114 M1117 | K1099-M1103 WeakPolarHBondContact O-CG 3.05Å; K1099-M1103 PolarHBondContact O-N 3.23Å; M1103-R1113 HydrophobicContact CE-CB 4.49Å; M1103-R1113 HydrophobicContact CE-CG 4.01Å; M1103-R1113 HydrophobicContact SD-CG 4.03Å; M1103-C1114 HydrophobicContact CE-CB 4.49Å; M1103-M1117 HydrophobicContact CE-CE 4.48Å; M1103-M1117 HydrophobicContact CE-SD 3.47Å; M1103-M1117 WeakPolarHBondContact CE-SD 3.1Å; M1103-M1117 HydrophobicContact SD-SD 3.99Å |
| 1104 | P | 82.4 | Confident | 85.8 | Confident | 77 Ų | 77 | 60.1 Ų | 60.1 | 50% | 0.5 | 31% | 0.307 | S | S | . | . | trans | -60.1 | 159.3 | 168 | 28.6 | -35 | 0 | 0 | 0 | 110.7 | D1110 | P1104-D1110 VanDerWaalsContact O-CB 3.3Å; P1104-D1110 WeakPolarHBondContact O-CB 3.29Å | ||
| 1105 | K | 78.8 | Confident | 85.6 | Confident | 121 Ų | 121 | 60.1 Ų | 60.1 | 53% | 0.526 | 31% | 0.307 | S | S | . | . | trans | -128.2 | 16.8 | -176.5 | -62.5 | 170.9 | -170.6 | 156.9 | 0 | 112.3 | Q1111 | K1105-Q1111 PolarHBondContact O-NE2 3.43Š| ||
| 1106 | E | 78.5 | Confident | 85.5 | Confident | 180 Ų | 180 | 60 Ų | 60 | 84% | 0.841 | 31% | 0.305 | S | S | * | . | S | Bend | trans | -81.5 | -41.2 | -168.1 | -61.4 | -173.6 | 174.1 | 0 | 0 | 112.5 | ||
| 1107 | T | 83.8 | Confident | 85.5 | Confident | 70 Ų | 70 | 60.1 Ų | 60.1 | 43% | 0.429 | 31% | 0.306 | S | S | . | . | S | Bend | trans | -93.3 | 155.3 | 179.3 | 79 | 0 | 0 | 0 | 0 | 112.1 | A1109 D1110 Q1111 | T1107-A1109 PolarHBondContact O-N 3.13Å; T1107-A1109 PolarHBondContact OG1-N 2.87Å; T1107-D1110 VanDerWaalsContact CB-OD2 3.3Å; T1107-D1110 WeakPolarHBondContact CB-OD2 3.3Å; T1107-D1110 WeakPolarHBondContact CG2-OD2 3.35Å; T1107-D1110 PolarHBondContact N-OD2 2.91Å; T1107-D1110 PolarHBondContact O-N 2.86Å; T1107-D1110 VanDerWaalsContact O-N 3.16Å; T1107-D1110 PolarHBondContact OG1-N 3.06Å; T1107-D1110 VanDerWaalsContact OG1-N 3.1Å; T1107-D1110 PolarHBondContact OG1-OD2 3Å; T1107-Q1111 WeakPolarHBondContact O-CG 3.48Å; T1107-Q1111 PolarHBondContact O-N 3.41Å |
| 1108 | L | 80.3 | Confident | 85.5 | Confident | 109 Ų | 109 | 60 Ų | 60 | 57% | 0.571 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -59.9 | -33.1 | 172.4 | -70.3 | 172.3 | 0 | 0 | 0 | 112 | Q1111 A1112 | L1108-Q1111 PolarHBondContact O-N 2.83Å; L1108-A1112 WeakPolarHBondContact O-CB 3.4Å; L1108-A1112 PolarHBondContact O-N 2.88Å |
| 1109 | A | 82.3 | Confident | 85.5 | Confident | 71 Ų | 71 | 58 Ų | 58 | 59% | 0.587 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -65.2 | -41 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | T1107 A1112 R1113 | T1107-A1109 PolarHBondContact O-N 3.13Å; T1107-A1109 PolarHBondContact OG1-N 2.87Å; A1109-A1112 PolarHBondContact O-N 3.04Å; A1109-R1113 VanDerWaalsContact O-CB 3.31Å; A1109-R1113 WeakPolarHBondContact O-CB 3.33Å; A1109-R1113 PolarHBondContact O-N 2.89Å |
| 1110 | D | 84.9 | Confident | 85.7 | Confident | 43 Ų | 43 | 55.2 Ų | 55.2 | 23% | 0.23 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -66.6 | -38.5 | 175.7 | -52 | -48.1 | 0 | 0 | 0 | 111.6 | P1104 T1107 R1113 C1114 | P1104-D1110 VanDerWaalsContact O-CB 3.3Å; P1104-D1110 WeakPolarHBondContact O-CB 3.29Å; T1107-D1110 VanDerWaalsContact CB-OD2 3.3Å; T1107-D1110 WeakPolarHBondContact CB-OD2 3.3Å; T1107-D1110 WeakPolarHBondContact CG2-OD2 3.35Å; T1107-D1110 PolarHBondContact N-OD2 2.91Å; T1107-D1110 PolarHBondContact O-N 2.86Å; T1107-D1110 VanDerWaalsContact O-N 3.16Å; T1107-D1110 PolarHBondContact OG1-N 3.06Å; T1107-D1110 VanDerWaalsContact OG1-N 3.1Å; T1107-D1110 PolarHBondContact OG1-OD2 3Å; D1110-R1113 PolarHBondContact O-N 2.87Å; D1110-C1114 WeakPolarHBondContact O-CB 3.26Å; D1110-C1114 PolarHBondContact O-N 2.84Å; D1110-C1114 PolarHBondContact O-SG 2.77Å |
| 1111 | Q | 83.9 | Confident | 85.8 | Confident | 76 Ų | 76 | 54.4 Ų | 54.4 | 36% | 0.355 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -67.8 | -42.1 | 177.1 | -66.2 | 176.9 | 17.3 | 0 | 0 | 111.7 | K1105 T1107 L1108 C1114 A1115 L1145 | K1105-Q1111 PolarHBondContact O-NE2 3.43Å; T1107-Q1111 WeakPolarHBondContact O-CG 3.48Å; T1107-Q1111 PolarHBondContact O-N 3.41Å; L1108-Q1111 PolarHBondContact O-N 2.83Å; Q1111-C1114 WeakPolarHBondContact O-CB 3.44Å; Q1111-C1114 PolarHBondContact O-N 3.04Å; Q1111-A1115 PolarHBondContact O-N 3.18Å; Q1111-L1145 HydrophobicContact CB-CD2 3.93Å |
| 1112 | A | 85.8 | Confident | 86 | Confident | 11 Ų | 11 | 50.1 Ų | 50.1 | 9% | 0.091 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -58.4 | -47.3 | 170.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | L1108 A1109 C1114 A1115 E1116 L1188 | L1108-A1112 WeakPolarHBondContact O-CB 3.4Å; L1108-A1112 PolarHBondContact O-N 2.88Å; A1109-A1112 PolarHBondContact O-N 3.04Å; A1112-C1114 PolarHBondContact O-N 3.44Å; A1112-A1115 WeakPolarHBondContact O-CB 3.42Å; A1112-A1115 PolarHBondContact O-N 3.4Å; A1112-E1116 WeakPolarHBondContact O-CG 3.23Å; A1112-E1116 PolarHBondContact O-N 3.05Å; A1112-L1188 HydrophobicContact CB-CD2 3.93Å |
| 1113 | R | 87.4 | Confident | 86.1 | Confident | 49 Ų | 49 | 45.6 Ų | 45.6 | 19% | 0.185 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -63.7 | -37.1 | 177.9 | -172.8 | 57.1 | -178.3 | 161.3 | 6.2 | 113.3 | M1103 A1109 D1110 A1115 E1116 M1117 T1202 C1203 | M1103-R1113 HydrophobicContact CE-CB 4.49Å; M1103-R1113 HydrophobicContact CE-CG 4.01Å; M1103-R1113 HydrophobicContact SD-CG 4.03Å; A1109-R1113 VanDerWaalsContact O-CB 3.31Å; A1109-R1113 WeakPolarHBondContact O-CB 3.33Å; A1109-R1113 PolarHBondContact O-N 2.89Å; D1110-R1113 PolarHBondContact O-N 2.87Å; R1113-A1115 VanDerWaalsContact C-N 3.32Å; R1113-A1115 PolarHBondContact O-N 3.4Å; R1113-E1116 WeakPolarHBondContact CD-OE2 3.46Å; R1113-E1116 IonicContact CZ-OE2 3.56Å; R1113-E1116 IonicContact NE-OE2 3.58Å; R1113-E1116 IonicContact NH1-OE2 3.8Å; R1113-E1116 PolarHBondContact NH1-OE2 3.36Å; R1113-E1116 PolarHBondContact O-N 3.47Å; R1113-M1117 WeakPolarHBondContact O-CG 3.33Å; R1113-M1117 PolarHBondContact O-N 3.4Å; R1113-M1117 VanDerWaalsContact O-N 3.07Å; R1113-T1202 PolarHBondContact NH2-O 2.82Å; R1113-C1203 PolarHBondContact NH2-O 2.97Å |
| 1114 | C | 87.8 | Confident | 86.4 | Confident | 5 Ų | 5 | 43.7 Ų | 43.7 | 3% | 0.034 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -60.7 | -40.7 | 171.2 | -75.5 | 0 | 0 | 0 | 0 | 112 | R1100 M1103 D1110 Q1111 A1112 A1118 | R1100-C1114 WeakPolarHBondContact CD-O 3.5Å; R1100-C1114 HydrophobicContact CG-CB 4.41Å; M1103-C1114 HydrophobicContact CE-CB 4.49Å; D1110-C1114 WeakPolarHBondContact O-CB 3.26Å; D1110-C1114 PolarHBondContact O-N 2.84Å; D1110-C1114 PolarHBondContact O-SG 2.77Å; Q1111-C1114 WeakPolarHBondContact O-CB 3.44Å; Q1111-C1114 PolarHBondContact O-N 3.04Å; A1112-C1114 PolarHBondContact O-N 3.44Å; C1114-A1118 PolarHBondContact O-N 2.74Å; C1114-A1118 VanDerWaalsContact O-N 3.1Å |
| 1115 | A | 87.8 | Confident | 86.7 | Confident | 1 Ų | 1 | 46.7 Ų | 46.7 | 1% | 0.008 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -73.8 | -37 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | Q1111 A1112 R1113 A1118 A1119 L1141 M1142 L1145 | Q1111-A1115 PolarHBondContact O-N 3.18Å; A1112-A1115 WeakPolarHBondContact O-CB 3.42Å; A1112-A1115 PolarHBondContact O-N 3.4Å; R1113-A1115 VanDerWaalsContact C-N 3.32Å; R1113-A1115 PolarHBondContact O-N 3.4Å; A1115-A1118 PolarHBondContact O-N 2.79Å; A1115-A1119 WeakPolarHBondContact O-CB 3.39Å; A1115-A1119 PolarHBondContact O-N 3.41Å; A1115-L1141 HydrophobicContact CB-CB 4.34Å; A1115-M1142 HydrophobicContact CB-CE 3.87Å; A1115-M1142 HydrophobicContact CB-SD 3.95Å; A1115-M1142 WeakPolarHBondContact O-CE 3.2Å; A1115-L1145 HydrophobicContact CB-CD1 3.34Å |
| 1116 | E | 89.9 | Confident | 87.2 | Confident | 17 Ų | 17 | 41.6 Ų | 41.6 | 8% | 0.079 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -55.8 | -50.9 | 169.4 | -73.7 | -178.7 | 170 | 0 | 0 | 111.6 | A1112 R1113 A1118 A1119 Y1120 L1188 E1189 | A1112-E1116 WeakPolarHBondContact O-CG 3.23Å; A1112-E1116 PolarHBondContact O-N 3.05Å; R1113-E1116 WeakPolarHBondContact CD-OE2 3.46Å; R1113-E1116 IonicContact CZ-OE2 3.56Å; R1113-E1116 IonicContact NE-OE2 3.58Å; R1113-E1116 IonicContact NH1-OE2 3.8Å; R1113-E1116 PolarHBondContact NH1-OE2 3.36Å; R1113-E1116 PolarHBondContact O-N 3.47Å; E1116-A1118 VanDerWaalsContact C-N 3.34Å; E1116-A1118 PolarHBondContact O-N 3.3Å; E1116-A1119 WeakPolarHBondContact O-CB 3.37Å; E1116-A1119 PolarHBondContact O-N 2.7Å; E1116-A1119 VanDerWaalsContact O-N 3.11Å; E1116-Y1120 HydrophobicContact CB-CE2 3.78Å; E1116-Y1120 WeakPolarHBondContact O-CD2 3.26Å; E1116-Y1120 PolarHBondContact O-N 3.37Å; E1116-L1188 HydrophobicContact CG-CB 4.04Å; E1116-L1188 HydrophobicContact CG-CD2 4.06Å; E1116-E1189 PolarHBondContact OE1-N 3.02Å |
| 1117 | M | 89.7 | Confident | 87.7 | Confident | 7 Ų | 7 | 36.5 Ų | 36.5 | 3% | 0.034 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -64.5 | -37.7 | -179.6 | -72.3 | 177.3 | 61.9 | 0 | 0 | 112.4 | M1096 K1099 R1100 M1103 R1113 Y1120 F1121 C1203 | M1096-M1117 HydrophobicContact CG-CB 4.19Å; M1096-M1117 HydrophobicContact CG-CE 3.7Å; M1096-M1117 HydrophobicContact CG-CG 4.39Å; M1096-M1117 VanDerWaalsContact O-CE 3.24Å; M1096-M1117 WeakPolarHBondContact O-CE 3.27Å; M1096-M1117 HydrophobicContact SD-CB 4.36Å; M1096-M1117 VanDerWaalsContact SD-O 3.34Å; K1099-M1117 HydrophobicContact CB-CE 3.77Å; R1100-M1117 HydrophobicContact CB-CB 4.5Å; R1100-M1117 HydrophobicContact CB-CE 4.16Å; R1100-M1117 HydrophobicContact CG-CB 4.29Å; M1103-M1117 HydrophobicContact CE-CE 4.48Å; M1103-M1117 HydrophobicContact CE-SD 3.47Å; M1103-M1117 WeakPolarHBondContact CE-SD 3.1Å; M1103-M1117 HydrophobicContact SD-SD 3.99Å; R1113-M1117 WeakPolarHBondContact O-CG 3.33Å; R1113-M1117 PolarHBondContact O-N 3.4Å; R1113-M1117 VanDerWaalsContact O-N 3.07Å; M1117-Y1120 PolarHBondContact O-N 3.38Å; M1117-F1121 PolarHBondContact O-N 2.65Å; M1117-F1121 VanDerWaalsContact O-N 3.07Å; M1117-C1203 HydrophobicContact CE-CB 4.08Å; M1117-C1203 HydrophobicContact CG-CB 4.39Å; M1117-C1203 HydrophobicContact SD-CB 4.32Å |
| 1118 | A | 89.9 | Confident | 87.9 | Confident | 4 Ų | 4 | 36.9 Ų | 36.9 | 3% | 0.033 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -63.1 | -42.6 | 171.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | C1114 A1115 E1116 F1121 T1122 L1141 | C1114-A1118 PolarHBondContact O-N 2.74Å; C1114-A1118 VanDerWaalsContact O-N 3.1Å; A1115-A1118 PolarHBondContact O-N 2.79Å; E1116-A1118 VanDerWaalsContact C-N 3.34Å; E1116-A1118 PolarHBondContact O-N 3.3Å; A1118-F1121 PolarHBondContact O-N 3.39Å; A1118-T1122 WeakPolarHBondContact O-CG2 3.32Å; A1118-T1122 PolarHBondContact O-N 3.06Å; A1118-L1141 HydrophobicContact CB-CD1 3.5Å |
| 1119 | A | 90.1 | Very high | 88.2 | Confident | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -60.8 | -46.2 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | A1115 E1116 F1121 T1122 H1123 M1142 M1154 Y1190 | A1115-A1119 WeakPolarHBondContact O-CB 3.39Å; A1115-A1119 PolarHBondContact O-N 3.41Å; E1116-A1119 WeakPolarHBondContact O-CB 3.37Å; E1116-A1119 PolarHBondContact O-N 2.7Å; E1116-A1119 VanDerWaalsContact O-N 3.11Å; A1119-F1121 VanDerWaalsContact C-N 3.34Å; A1119-F1121 PolarHBondContact O-N 3.27Å; A1119-T1122 WeakPolarHBondContact O-CB 3.43Å; A1119-T1122 PolarHBondContact O-N 2.79Å; A1119-T1122 VanDerWaalsContact O-N 3.13Å; A1119-T1122 PolarHBondContact O-OG1 2.8Å; A1119-H1123 PolarHBondContact O-CD2 2.79Å; A1119-M1142 HydrophobicContact CB-CE 3.78Å; A1119-M1154 HydrophobicContact CB-CE 3.48Å; A1119-M1154 VanDerWaalsContact CB-CE 3.48Å; A1119-Y1190 HydrophobicContact CB-CD2 3.8Å; A1119-Y1190 HydrophobicContact CB-CE2 3.88Å; A1119-Y1190 HydrophobicContact CB-CG 4.19Å |
| 1120 | Y | 92 | Very high | 88.5 | Confident | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -61.4 | -39.7 | 176.7 | -57.2 | -33.4 | 0 | 0 | 0 | 112.2 | M1096 E1116 M1117 T1122 H1123 E1189 Y1190 F1196 V1198 C1203 P1205 | M1096-Y1120 HydrophobicContact SD-CD2 4.37Å; E1116-Y1120 HydrophobicContact CB-CE2 3.78Å; E1116-Y1120 WeakPolarHBondContact O-CD2 3.26Å; E1116-Y1120 PolarHBondContact O-N 3.37Å; M1117-Y1120 PolarHBondContact O-N 3.38Å; Y1120-T1122 PolarHBondContact O-N 3.46Å; Y1120-H1123 PolarHBondContact O-N 2.67Å; Y1120-E1189 PolarHBondContact OH-O 3.35Å; Y1120-E1189 VanDerWaalsContact OH-O 3.11Å; Y1120-Y1190 HydrophobicContact CD1-CD2 4.06Å; Y1120-Y1190 HydrophobicContact CE1-CD2 4.02Å; Y1120-F1196 AromaticContact CD1-CE2 3.87Å; Y1120-F1196 HydrophobicContact CD1-CE2 3.87Å; Y1120-F1196 AromaticContact CD1-CZ 3.92Å; Y1120-F1196 HydrophobicContact CD1-CZ 3.92Å; Y1120-V1198 HydrophobicContact CG-CG2 4.44Å; Y1120-C1203 WeakPolarHBondContact CE2-O 3.37Å; Y1120-P1205 HydrophobicContact CE1-CB 4.2Å; Y1120-P1205 HydrophobicContact CE1-CG 3.79Å |
| 1121 | F | 91.6 | Very high | 88.7 | Confident | 7 Ų | 7 | 31.2 Ų | 31.2 | 3% | 0.031 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -63.3 | -26.7 | 176.2 | -172.4 | -163.3 | 0 | 0 | 0 | 112.5 | W906 G1093 M1096 E1097 M1117 A1118 A1119 H1123 C1124 L1126 T1134 | W906-F1121 HydrophobicContact CH2-CE1 4.3Å; G1093-F1121 VanDerWaalsContact C-CE2 3.47Å; M1096-F1121 HydrophobicContact SD-CB 4.49Å; E1097-F1121 HydrophobicContact CB-CD1 4.03Å; E1097-F1121 HydrophobicContact CB-CE1 3.68Å; E1097-F1121 HydrophobicContact CB-CZ 4.44Å; E1097-F1121 HydrophobicContact CG-CE1 3.98Å; M1117-F1121 PolarHBondContact O-N 2.65Å; M1117-F1121 VanDerWaalsContact O-N 3.07Å; A1118-F1121 PolarHBondContact O-N 3.39Å; A1119-F1121 VanDerWaalsContact C-N 3.34Å; A1119-F1121 PolarHBondContact O-N 3.27Å; F1121-H1123 PolarHBondContact O-N 2.94Å; F1121-C1124 HydrophobicContact CD2-CB 4.42Å; F1121-C1124 PolarHBondContact O-N 2.84Å; F1121-L1126 HydrophobicContact CD2-CD1 4.23Å; F1121-L1126 HydrophobicContact CE2-CD1 3.61Å; F1121-L1126 HydrophobicContact CE2-CD2 4.45Å; F1121-L1126 HydrophobicContact CZ-CD1 4.27Å; F1121-T1134 HydrophobicContact CD1-CG2 3.65Å; F1121-T1134 HydrophobicContact CD2-CG2 3.96Å; F1121-T1134 HydrophobicContact CE1-CG2 3.44Å; F1121-T1134 VanDerWaalsContact CE1-CG2 3.44Å; F1121-T1134 HydrophobicContact CE2-CG2 3.75Å; F1121-T1134 HydrophobicContact CG-CG2 3.91Å; F1121-T1134 HydrophobicContact CZ-CG2 3.5Å; F1121-T1134 VanDerWaalsContact CZ-CG2 3.5Å |
| 1122 | T | 90.3 | Very high | 88.9 | Confident | 4 Ų | 4 | 29 Ų | 29 | 3% | 0.025 | 16% | 0.155 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.6 | -10.8 | 172.1 | 76.9 | 0 | 0 | 0 | 0 | 114.4 | A1118 A1119 Y1120 L1135 R1157 | A1118-T1122 WeakPolarHBondContact O-CG2 3.32Å; A1118-T1122 PolarHBondContact O-N 3.06Å; A1119-T1122 WeakPolarHBondContact O-CB 3.43Å; A1119-T1122 PolarHBondContact O-N 2.79Å; A1119-T1122 VanDerWaalsContact O-N 3.13Å; A1119-T1122 PolarHBondContact O-OG1 2.8Å; Y1120-T1122 PolarHBondContact O-N 3.46Å; T1122-L1135 HydrophobicContact CG2-CD2 3.87Å; T1122-L1135 HydrophobicContact CG2-CG 4.21Å; T1122-R1157 PolarHBondContact O-NH2 3.12Å; T1122-R1157 PolarHBondContact OG1-NH1 2.72Å |
| 1123 | H | 89 | Confident | 89 | Confident | 60 Ų | 60 | 29.8 Ų | 29.8 | 28% | 0.278 | 16% | 0.158 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -102.7 | -5.3 | 179.2 | -74.6 | -88.4 | 0 | 0 | 0 | 114 | A1119 Y1120 F1121 R1157 Y1190 F1196 | A1119-H1123 PolarHBondContact O-CD2 2.79Å; Y1120-H1123 PolarHBondContact O-N 2.67Å; F1121-H1123 PolarHBondContact O-N 2.94Å; H1123-R1157 PolarHBondContact NE2-NH1 3.24Å; H1123-Y1190 AromaticContact CD2-CE2 3.79Å; H1123-Y1190 AromaticContact NE2-CE2 3.48Å; H1123-Y1190 WeakPolarHBondContact NE2-CE2 3.44Å; H1123-Y1190 AromaticContact NE2-CZ 3.62Å; H1123-Y1190 PolarHBondContact NE2-OH 3.12Å; H1123-F1196 HydrophobicContact CB-CE2 4.24Å; H1123-F1196 HydrophobicContact CB-CZ 4.09Å; H1123-F1196 AromaticContact CD2-CZ 3.54Å; H1123-F1196 AromaticContact CG-CZ 3.79Å |
| 1124 | C | 88.4 | Confident | 89.1 | Confident | 6 Ų | 6 | 27.6 Ų | 27.6 | 4% | 0.041 | 15% | 0.15 | C | C | . | . | S | Bend | trans | -66.2 | 141 | 170.2 | -64 | 0 | 0 | 0 | 0 | 110.6 | F1121 L1126 | F1121-C1124 HydrophobicContact CD2-CB 4.42Å; F1121-C1124 PolarHBondContact O-N 2.84Å; C1124-L1126 VanDerWaalsContact C-N 3.27Å; C1124-L1126 HydrophobicContact CB-CD2 4.12Å; C1124-L1126 HydrophobicContact CB-CG 4.14Å; C1124-L1126 PolarHBondContact O-N 2.9Å |
| 1125 | H | 88.5 | Confident | 89.2 | Confident | 140 Ų | 140 | 27.5 Ų | 27.5 | 65% | 0.648 | 15% | 0.148 | S | C | * | . | trans | -78.5 | 71.6 | -178 | -59.5 | -69.5 | 0 | 0 | 0 | 112.7 | E1089 | E1089-H1125 HydrophobicContact CG-CB 4.04Å; E1089-H1125 IonicContact OE2-CD2 3.69Å; E1089-H1125 PolarHBondContact OE2-N 3.07Å; E1089-H1125 VanDerWaalsContact OE2-N 3.16Å | ||
| 1126 | L | 90.4 | Very high | 89.3 | Confident | 13 Ų | 13 | 30.7 Ų | 30.7 | 7% | 0.068 | 16% | 0.16 | C | C | . | . | trans | -85.8 | 169.9 | 177.6 | -46.9 | 174.4 | 0 | 0 | 0 | 111.7 | Y1090 F1121 C1124 H1130 Q1131 T1134 | Y1090-L1126 HydrophobicContact CD1-CD2 4.02Å; Y1090-L1126 HydrophobicContact CD2-CD2 3.75Å; Y1090-L1126 HydrophobicContact CE1-CD2 4.12Å; Y1090-L1126 HydrophobicContact CE2-CB 4.3Å; Y1090-L1126 HydrophobicContact CE2-CD2 3.88Å; Y1090-L1126 HydrophobicContact CG-CD2 3.85Å; F1121-L1126 HydrophobicContact CD2-CD1 4.23Å; F1121-L1126 HydrophobicContact CE2-CD1 3.61Å; F1121-L1126 HydrophobicContact CE2-CD2 4.45Å; F1121-L1126 HydrophobicContact CZ-CD1 4.27Å; C1124-L1126 VanDerWaalsContact C-N 3.27Å; C1124-L1126 HydrophobicContact CB-CD2 4.12Å; C1124-L1126 HydrophobicContact CB-CG 4.14Å; C1124-L1126 PolarHBondContact O-N 2.9Å; L1126-H1130 HydrophobicContact CB-CB 4.1Å; L1126-H1130 HydrophobicContact CD1-CB 4.27Å; L1126-Q1131 HydrophobicContact CB-CG 3.87Å; L1126-Q1131 PolarHBondContact O-NE2 2.81Å; L1126-T1134 HydrophobicContact CD1-CG2 3.81Å | ||
| 1127 | Q | 88.7 | Confident | 89.1 | Confident | 74 Ų | 74 | 31.5 Ų | 31.5 | 35% | 0.346 | 17% | 0.167 | S | C | . | . | trans | -66.2 | 150.6 | 167.5 | -77.8 | -169.7 | -17 | 0 | 0 | 111 | Y1044 Y1090 A1129 H1130 Q1131 | Y1044-Q1127 HydrophobicContact CE1-CG 4.45Å; Y1044-Q1127 HydrophobicContact CE2-CG 4.49Å; Y1090-Q1127 WeakPolarHBondContact OH-CB 3.27Å; Y1090-Q1127 WeakPolarHBondContact OH-CG 3.37Å; Y1090-Q1127 PolarHBondContact OH-N 3.17Å; Q1127-A1129 VanDerWaalsContact C-N 3.26Å; Q1127-A1129 PolarHBondContact O-N 3.13Å; Q1127-A1129 VanDerWaalsContact O-N 3.13Å; Q1127-H1130 PolarHBondContact O-N 2.84Å; Q1127-Q1131 PolarHBondContact O-N 2.9Å | ||
| 1128 | P | 86.9 | Confident | 89.1 | Confident | 77 Ų | 77 | 31.2 Ų | 31.2 | 50% | 0.5 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -51.8 | -39.9 | -177.3 | -29.3 | 35.7 | 0 | 0 | 0 | 114.4 | H1130 Q1131 I1132 | P1128-H1130 PolarHBondContact O-N 2.98Å; P1128-Q1131 PolarHBondContact O-N 2.91Å; P1128-I1132 VanDerWaalsContact O-CG1 3.32Å; P1128-I1132 WeakPolarHBondContact O-CG1 3.18Å; P1128-I1132 PolarHBondContact O-N 3.26Å |
| 1129 | A | 86.5 | Confident | 89 | Confident | 59 Ų | 59 | 31.7 Ų | 31.7 | 49% | 0.488 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -57.8 | -44.3 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | Q1127 L1133 | Q1127-A1129 VanDerWaalsContact C-N 3.26Å; Q1127-A1129 PolarHBondContact O-N 3.13Å; Q1127-A1129 VanDerWaalsContact O-N 3.13Å; A1129-L1133 PolarHBondContact O-N 2.62Å |
| 1130 | H | 90.4 | Very high | 88.9 | Confident | 3 Ų | 3 | 34.4 Ų | 34.4 | 1% | 0.014 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -76.3 | -33.6 | 177.7 | -57.9 | 131.6 | 0 | 0 | 0 | 112.4 | Y1044 T1048 Y1090 L1126 Q1127 P1128 I1132 L1133 T1134 | Y1044-H1130 AromaticContact CD1-CE1 3.85Å; Y1044-H1130 PolarHBondContact O-NE2 2.85Å; T1048-H1130 PolarHBondContact OG1-NE2 3.11Å; Y1090-H1130 AromaticContact CE1-CE1 3.97Å; Y1090-H1130 AromaticContact CE1-ND1 3.43Å; Y1090-H1130 WeakPolarHBondContact CE1-ND1 3.17Å; Y1090-H1130 AromaticContact CZ-ND1 3.59Å; Y1090-H1130 PolarHBondContact OH-ND1 3.45Å; L1126-H1130 HydrophobicContact CB-CB 4.1Å; L1126-H1130 HydrophobicContact CD1-CB 4.27Å; Q1127-H1130 PolarHBondContact O-N 2.84Å; P1128-H1130 PolarHBondContact O-N 2.98Å; H1130-I1132 VanDerWaalsContact C-N 3.29Å; H1130-I1132 PolarHBondContact O-N 3.49Å; H1130-L1133 WeakPolarHBondContact O-CB 3.48Å; H1130-L1133 PolarHBondContact O-N 3.14Å; H1130-L1133 VanDerWaalsContact O-N 3.16Å; H1130-T1134 PolarHBondContact O-N 3.14Å |
| 1131 | Q | 88 | Confident | 88.6 | Confident | 42 Ų | 42 | 35.9 Ų | 35.9 | 20% | 0.196 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -61.5 | -37.4 | 172.7 | -65.6 | -172.6 | 12.8 | 0 | 0 | 112.1 | L1126 Q1127 P1128 L1133 T1134 L1135 L1161 | L1126-Q1131 HydrophobicContact CB-CG 3.87Å; L1126-Q1131 PolarHBondContact O-NE2 2.81Å; Q1127-Q1131 PolarHBondContact O-N 2.9Å; P1128-Q1131 PolarHBondContact O-N 2.91Å; Q1131-L1133 VanDerWaalsContact C-N 3.31Å; Q1131-L1133 PolarHBondContact O-N 3.11Å; Q1131-T1134 PolarHBondContact O-N 3.09Å; Q1131-T1134 PolarHBondContact O-OG1 2.81Å; Q1131-T1134 VanDerWaalsContact O-OG1 3.07Å; Q1131-L1135 WeakPolarHBondContact O-CB 3.36Å; Q1131-L1135 WeakPolarHBondContact O-CD1 3.14Å; Q1131-L1135 WeakPolarHBondContact O-CG 3.35Å; Q1131-L1135 PolarHBondContact O-N 2.84Å; Q1131-L1161 HydrophobicContact CB-CD1 3.72Å |
| 1132 | I | 87.8 | Confident | 88.4 | Confident | 29 Ų | 29 | 35.6 Ų | 35.6 | 15% | 0.149 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -61.2 | -41 | 174.1 | -72.6 | 163 | 0 | 0 | 0 | 110.8 | P1128 H1130 R1136 L1158 L1161 P1163 | P1128-I1132 VanDerWaalsContact O-CG1 3.32Å; P1128-I1132 WeakPolarHBondContact O-CG1 3.18Å; P1128-I1132 PolarHBondContact O-N 3.26Å; H1130-I1132 VanDerWaalsContact C-N 3.29Å; H1130-I1132 PolarHBondContact O-N 3.49Å; I1132-R1136 WeakPolarHBondContact O-CB 3.33Å; I1132-R1136 VanDerWaalsContact O-CG 3.24Å; I1132-R1136 WeakPolarHBondContact O-CG 3.4Å; I1132-R1136 PolarHBondContact O-N 2.91Å; I1132-L1158 HydrophobicContact CB-CD1 4.29Å; I1132-L1158 HydrophobicContact CG1-CD1 4.11Å; I1132-L1158 HydrophobicContact CG2-CD1 4.05Å; I1132-L1161 HydrophobicContact CG1-CB 4.2Å; I1132-L1161 HydrophobicContact CG1-CD1 4.19Å; I1132-P1163 HydrophobicContact CD1-CB 4.03Å; I1132-P1163 HydrophobicContact CG1-CB 4.3Å; I1132-P1163 HydrophobicContact CG2-CB 4.34Å |
| 1133 | L | 88 | Confident | 88 | Confident | 29 Ų | 29 | 39 Ų | 39 | 15% | 0.152 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -65.7 | -47.4 | 177.1 | -63 | 174.5 | 0 | 0 | 0 | 111.8 | W906 A1129 H1130 Q1131 L1135 R1136 T1137 | W906-L1133 HydrophobicContact CD2-CB 4.13Å; W906-L1133 HydrophobicContact CD2-CD1 4.14Å; W906-L1133 HydrophobicContact CE3-CB 3.92Å; W906-L1133 HydrophobicContact CG-CD1 4.37Å; W906-L1133 HydrophobicContact CH2-CB 3.84Å; W906-L1133 HydrophobicContact CZ2-CB 4.02Å; W906-L1133 HydrophobicContact CZ2-CD1 4.21Å; W906-L1133 HydrophobicContact CZ3-CB 3.78Å; A1129-L1133 PolarHBondContact O-N 2.62Å; H1130-L1133 WeakPolarHBondContact O-CB 3.48Å; H1130-L1133 PolarHBondContact O-N 3.14Å; H1130-L1133 VanDerWaalsContact O-N 3.16Å; Q1131-L1133 VanDerWaalsContact C-N 3.31Å; Q1131-L1133 PolarHBondContact O-N 3.11Å; L1133-L1135 PolarHBondContact O-N 2.7Å; L1133-R1136 PolarHBondContact O-N 2.99Å; L1133-T1137 PolarHBondContact O-N 3.17Å; L1133-T1137 VanDerWaalsContact O-N 3.09Å; L1133-T1137 PolarHBondContact O-OG1 3.26Å |
| 1134 | T | 89.8 | Confident | 87.8 | Confident | 3 Ų | 3 | 43.4 Ų | 43.4 | 2% | 0.018 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -64 | -41.1 | 179.1 | 60.4 | 0 | 0 | 0 | 0 | 112.4 | W906 F1121 L1126 H1130 Q1131 T1137 S1138 | W906-T1134 HydrophobicContact CH2-CG2 3.98Å; F1121-T1134 HydrophobicContact CD1-CG2 3.65Å; F1121-T1134 HydrophobicContact CD2-CG2 3.96Å; F1121-T1134 HydrophobicContact CE1-CG2 3.44Å; F1121-T1134 VanDerWaalsContact CE1-CG2 3.44Å; F1121-T1134 HydrophobicContact CE2-CG2 3.75Å; F1121-T1134 HydrophobicContact CG-CG2 3.91Å; F1121-T1134 HydrophobicContact CZ-CG2 3.5Å; F1121-T1134 VanDerWaalsContact CZ-CG2 3.5Å; L1126-T1134 HydrophobicContact CD1-CG2 3.81Å; H1130-T1134 PolarHBondContact O-N 3.14Å; Q1131-T1134 PolarHBondContact O-N 3.09Å; Q1131-T1134 PolarHBondContact O-OG1 2.81Å; Q1131-T1134 VanDerWaalsContact O-OG1 3.07Å; T1134-T1137 PolarHBondContact O-N 2.84Å; T1134-S1138 WeakPolarHBondContact O-CB 3.29Å; T1134-S1138 PolarHBondContact O-N 2.56Å |
| 1135 | L | 89.7 | Confident | 87.5 | Confident | 2 Ų | 2 | 43.9 Ų | 43.9 | 1% | 0.01 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -63.1 | -42.5 | 175.5 | -78.5 | 162.6 | 0 | 0 | 0 | 112.2 | T1122 Q1131 L1133 T1137 S1138 I1139 M1154 R1157 L1158 L1161 | T1122-L1135 HydrophobicContact CG2-CD2 3.87Å; T1122-L1135 HydrophobicContact CG2-CG 4.21Å; Q1131-L1135 WeakPolarHBondContact O-CB 3.36Å; Q1131-L1135 WeakPolarHBondContact O-CD1 3.14Å; Q1131-L1135 WeakPolarHBondContact O-CG 3.35Å; Q1131-L1135 PolarHBondContact O-N 2.84Å; L1133-L1135 PolarHBondContact O-N 2.7Å; L1135-T1137 PolarHBondContact O-N 3.3Å; L1135-S1138 PolarHBondContact O-N 3.35Å; L1135-I1139 WeakPolarHBondContact O-CB 3.35Å; L1135-I1139 WeakPolarHBondContact O-CD1 3.35Å; L1135-I1139 VanDerWaalsContact O-CG1 3.22Å; L1135-I1139 WeakPolarHBondContact O-CG1 3.48Å; L1135-I1139 PolarHBondContact O-N 2.91Å; L1135-M1154 HydrophobicContact CD2-CB 4.2Å; L1135-M1154 HydrophobicContact CD2-CG 4.44Å; L1135-R1157 HydrophobicContact CD1-CB 4.49Å; L1135-R1157 HydrophobicContact CD2-CB 4.31Å; L1135-L1158 HydrophobicContact CB-CB 4.32Å; L1135-L1158 HydrophobicContact CB-CD1 4.18Å; L1135-L1158 HydrophobicContact CD1-CB 4.28Å; L1135-L1158 HydrophobicContact CD1-CD1 4.48Å; L1135-L1161 HydrophobicContact CD1-CD1 3.5Å |
| 1136 | R | 89 | Confident | 87.3 | Confident | 69 Ų | 69 | 42.4 Ų | 42.4 | 26% | 0.26 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -60 | -44.5 | 175.4 | -74.7 | 174.8 | 75.7 | 177.7 | 5 | 111.8 | I1132 L1133 S1140 L1158 V1167 | I1132-R1136 WeakPolarHBondContact O-CB 3.33Å; I1132-R1136 VanDerWaalsContact O-CG 3.24Å; I1132-R1136 WeakPolarHBondContact O-CG 3.4Å; I1132-R1136 PolarHBondContact O-N 2.91Å; L1133-R1136 PolarHBondContact O-N 2.99Å; R1136-S1140 PolarHBondContact O-N 2.95Å; R1136-S1140 VanDerWaalsContact O-N 3.12Å; R1136-L1158 HydrophobicContact CG-CD2 4.16Å; R1136-V1167 HydrophobicContact CG-CG1 4.32Å |
| 1137 | T | 87.4 | Confident | 87 | Confident | 34 Ų | 34 | 41.8 Ų | 41.8 | 21% | 0.209 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -62.8 | -44 | 176.2 | -57 | 0 | 0 | 0 | 0 | 111.7 | L1133 T1134 L1135 S1140 L1141 | L1133-T1137 PolarHBondContact O-N 3.17Å; L1133-T1137 VanDerWaalsContact O-N 3.09Å; L1133-T1137 PolarHBondContact O-OG1 3.26Å; T1134-T1137 PolarHBondContact O-N 2.84Å; L1135-T1137 PolarHBondContact O-N 3.3Å; T1137-S1140 WeakPolarHBondContact O-CB 3.47Å; T1137-S1140 PolarHBondContact O-N 2.71Å; T1137-L1141 HydrophobicContact CG2-CD1 4.43Å; T1137-L1141 WeakPolarHBondContact O-CG 3.27Å; T1137-L1141 PolarHBondContact O-N 2.86Å |
| 1138 | S | 88.9 | Confident | 86.8 | Confident | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -67 | -41.6 | 179.3 | -164.1 | 0 | 0 | 0 | 0 | 112.6 | T1134 L1135 S1140 L1141 M1142 M1154 | T1134-S1138 WeakPolarHBondContact O-CB 3.29Å; T1134-S1138 PolarHBondContact O-N 2.56Å; L1135-S1138 PolarHBondContact O-N 3.35Å; S1138-S1140 VanDerWaalsContact C-N 3.32Å; S1138-S1140 PolarHBondContact O-N 2.8Å; S1138-L1141 PolarHBondContact O-N 2.78Å; S1138-L1141 VanDerWaalsContact O-N 3.16Å; S1138-M1142 WeakPolarHBondContact O-CG 3.4Å; S1138-M1142 PolarHBondContact O-N 3.23Å; S1138-M1154 VanDerWaalsContact OG-CE 3.27Å; S1138-M1154 WeakPolarHBondContact OG-CE 3.47Å; S1138-M1154 PolarHBondContact OG-SD 3.13Å |
| 1139 | I | 88.3 | Confident | 86.8 | Confident | 15 Ų | 15 | 41.6 Ų | 41.6 | 8% | 0.077 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -58.7 | -43.4 | 174.2 | -72.3 | 162.6 | 0 | 0 | 0 | 111 | L1135 L1141 M1142 L1143 M1154 L1158 V1174 | L1135-I1139 WeakPolarHBondContact O-CB 3.35Å; L1135-I1139 WeakPolarHBondContact O-CD1 3.35Å; L1135-I1139 VanDerWaalsContact O-CG1 3.22Å; L1135-I1139 WeakPolarHBondContact O-CG1 3.48Å; L1135-I1139 PolarHBondContact O-N 2.91Å; I1139-L1141 VanDerWaalsContact C-N 3.3Å; I1139-L1141 PolarHBondContact O-N 3.41Å; I1139-M1142 PolarHBondContact O-N 3.43Å; I1139-L1143 VanDerWaalsContact O-CB 3.26Å; I1139-L1143 WeakPolarHBondContact O-CB 3.22Å; I1139-L1143 PolarHBondContact O-N 2.94Å; I1139-M1154 HydrophobicContact CD1-CB 4.32Å; I1139-M1154 HydrophobicContact CG1-CB 3.75Å; I1139-L1158 HydrophobicContact CD1-CB 4.17Å; I1139-L1158 HydrophobicContact CD1-CD2 3.56Å; I1139-V1174 HydrophobicContact CG2-CG1 4.1Å |
| 1140 | S | 86.7 | Confident | 86.8 | Confident | 56 Ų | 56 | 39.6 Ų | 39.6 | 39% | 0.392 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -59.9 | -38.3 | 176.7 | -175.1 | 0 | 0 | 0 | 0 | 112.5 | R1136 T1137 S1138 K1144 | R1136-S1140 PolarHBondContact O-N 2.95Å; R1136-S1140 VanDerWaalsContact O-N 3.12Å; T1137-S1140 WeakPolarHBondContact O-CB 3.47Å; T1137-S1140 PolarHBondContact O-N 2.71Å; S1138-S1140 VanDerWaalsContact C-N 3.32Å; S1138-S1140 PolarHBondContact O-N 2.8Å; S1140-K1144 VanDerWaalsContact O-CG 3.32Å; S1140-K1144 WeakPolarHBondContact O-CG 3.4Å; S1140-K1144 PolarHBondContact O-N 2.95Å |
| 1141 | L | 86.5 | Confident | 86.7 | Confident | 32 Ų | 32 | 39.4 Ų | 39.4 | 17% | 0.168 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -74.8 | -45.6 | 178.1 | -67.4 | 167.7 | 0 | 0 | 0 | 112.6 | A1115 A1118 T1137 S1138 I1139 L1143 K1144 L1145 | A1115-L1141 HydrophobicContact CB-CB 4.34Å; A1118-L1141 HydrophobicContact CB-CD1 3.5Å; T1137-L1141 HydrophobicContact CG2-CD1 4.43Å; T1137-L1141 WeakPolarHBondContact O-CG 3.27Å; T1137-L1141 PolarHBondContact O-N 2.86Å; S1138-L1141 PolarHBondContact O-N 2.78Å; S1138-L1141 VanDerWaalsContact O-N 3.16Å; I1139-L1141 VanDerWaalsContact C-N 3.3Å; I1139-L1141 PolarHBondContact O-N 3.41Å; L1141-L1143 VanDerWaalsContact C-N 3.28Å; L1141-L1143 PolarHBondContact O-N 3.48Å; L1141-K1144 WeakPolarHBondContact O-CB 3.48Å; L1141-K1144 PolarHBondContact O-N 2.77Å; L1141-K1144 VanDerWaalsContact O-N 3.13Å; L1141-L1145 PolarHBondContact O-N 2.85Å; L1141-L1145 VanDerWaalsContact O-N 3.11Å |
| 1142 | M | 86.9 | Confident | 86.7 | Confident | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -62.9 | -35.6 | 177.8 | -65.4 | -57.6 | 175.5 | 0 | 0 | 112.2 | A1115 A1119 S1138 I1139 L1145 K1146 N1147 C1151 M1154 L1188 | A1115-M1142 HydrophobicContact CB-CE 3.87Å; A1115-M1142 HydrophobicContact CB-SD 3.95Å; A1115-M1142 WeakPolarHBondContact O-CE 3.2Å; A1119-M1142 HydrophobicContact CB-CE 3.78Å; S1138-M1142 WeakPolarHBondContact O-CG 3.4Å; S1138-M1142 PolarHBondContact O-N 3.23Å; I1139-M1142 PolarHBondContact O-N 3.43Å; M1142-L1145 PolarHBondContact O-N 3.28Å; M1142-K1146 PolarHBondContact O-N 3.13Å; M1142-K1146 VanDerWaalsContact O-N 3.08Å; M1142-N1147 PolarHBondContact O-N 2.82Å; M1142-N1147 HydrophobicContact SD-CB 4.29Å; M1142-C1151 HydrophobicContact CB-CB 3.86Å; M1142-M1154 HydrophobicContact CE-CE 3.86Å; M1142-M1154 HydrophobicContact CG-CE 4.4Å; M1142-M1154 HydrophobicContact CG-SD 3.95Å; M1142-L1188 HydrophobicContact CE-CD1 3.68Å; M1142-L1188 HydrophobicContact SD-CD1 3.77Å |
| 1143 | L | 83 | Confident | 86.7 | Confident | 75 Ų | 75 | 36.9 Ų | 36.9 | 39% | 0.393 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -65.8 | -36.9 | 174.9 | -168.7 | 68 | 0 | 0 | 0 | 112.2 | I1139 L1141 K1146 F1148 V1174 | I1139-L1143 VanDerWaalsContact O-CB 3.26Å; I1139-L1143 WeakPolarHBondContact O-CB 3.22Å; I1139-L1143 PolarHBondContact O-N 2.94Å; L1141-L1143 VanDerWaalsContact C-N 3.28Å; L1141-L1143 PolarHBondContact O-N 3.48Å; L1143-K1146 PolarHBondContact O-N 2.97Å; L1143-F1148 HydrophobicContact CD1-CE1 4.2Å; L1143-V1174 HydrophobicContact CD1-CG1 4.42Å |
| 1144 | K | 83.6 | Confident | 86.8 | Confident | 154 Ų | 154 | 35.5 Ų | 35.5 | 67% | 0.67 | 17% | 0.172 | S | C | * | . | H | α-helix | trans | -65.8 | -40.2 | 174.6 | -73.2 | 170.6 | -175.8 | -178.2 | 0 | 112.1 | S1140 L1141 K1146 | S1140-K1144 VanDerWaalsContact O-CG 3.32Å; S1140-K1144 WeakPolarHBondContact O-CG 3.4Å; S1140-K1144 PolarHBondContact O-N 2.95Å; L1141-K1144 WeakPolarHBondContact O-CB 3.48Å; L1141-K1144 PolarHBondContact O-N 2.77Å; L1141-K1144 VanDerWaalsContact O-N 3.13Å; K1144-K1146 VanDerWaalsContact C-N 3.25Å; K1144-K1146 PolarHBondContact O-N 3.01Å |
| 1145 | L | 83.1 | Confident | 86.8 | Confident | 16 Ų | 16 | 35.4 Ų | 35.4 | 8% | 0.084 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -74.3 | -10 | 174.8 | -70.2 | 178.3 | 0 | 0 | 0 | 114.3 | Q1111 A1115 L1141 M1142 N1147 | Q1111-L1145 HydrophobicContact CB-CD2 3.93Å; A1115-L1145 HydrophobicContact CB-CD1 3.34Å; L1141-L1145 PolarHBondContact O-N 2.85Å; L1141-L1145 VanDerWaalsContact O-N 3.11Å; M1142-L1145 PolarHBondContact O-N 3.28Å; L1145-N1147 HydrophobicContact CB-CB 4.48Å; L1145-N1147 PolarHBondContact O-N 2.82Å |
| 1146 | K | 83.5 | Confident | 86.8 | Confident | 108 Ų | 108 | 39.8 Ų | 39.8 | 47% | 0.47 | 19% | 0.188 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 60 | 31.8 | -172.6 | -53.8 | 172.7 | -177.4 | 173.1 | 0 | 112.5 | M1142 L1143 K1144 F1148 K1185 | M1142-K1146 PolarHBondContact O-N 3.13Å; M1142-K1146 VanDerWaalsContact O-N 3.08Å; L1143-K1146 PolarHBondContact O-N 2.97Å; K1144-K1146 VanDerWaalsContact C-N 3.25Å; K1144-K1146 PolarHBondContact O-N 3.01Å; K1146-F1148 HydrophobicContact CB-CE1 4.34Å; K1146-F1148 HydrophobicContact CB-CE2 3.99Å; K1146-F1148 HydrophobicContact CB-CZ 3.81Å; K1146-F1148 HydrophobicContact CG-CZ 4.14Å; K1146-F1148 WeakPolarHBondContact O-CD2 3.26Å; K1146-F1148 PolarHBondContact O-N 3.46Å; K1146-K1185 HydrophobicContact CB-CD 3.92Å; K1146-K1185 HydrophobicContact CB-CG 4.16Å; K1146-K1185 HydrophobicContact CD-CD 4.25Å |
| 1147 | N | 85 | Confident | 86.8 | Confident | 1 Ų | 1 | 39.1 Ų | 39.1 | 1% | 0.005 | 19% | 0.185 | C | C | . | . | trans | -87.8 | 80 | 173.1 | -84.4 | 12.5 | 0 | 0 | 0 | 109.5 | M1142 L1145 T1150 C1151 D1184 K1185 E1186 L1188 | M1142-N1147 PolarHBondContact O-N 2.82Å; M1142-N1147 HydrophobicContact SD-CB 4.29Å; L1145-N1147 HydrophobicContact CB-CB 4.48Å; L1145-N1147 PolarHBondContact O-N 2.82Å; N1147-T1150 WeakPolarHBondContact CB-OG1 3.29Å; N1147-T1150 PolarHBondContact O-OG1 3.22Å; N1147-C1151 WeakPolarHBondContact O-CB 3.46Å; N1147-C1151 PolarHBondContact O-N 2.79Å; N1147-C1151 VanDerWaalsContact O-N 3.07Å; N1147-D1184 VanDerWaalsContact CA-OD1 3.3Å; N1147-D1184 WeakPolarHBondContact CA-OD1 3.36Å; N1147-D1184 HydrophobicContact CB-CB 4.21Å; N1147-D1184 WeakPolarHBondContact CB-OD1 3.39Å; N1147-K1185 PolarHBondContact OD1-N 3Å; N1147-E1186 PolarHBondContact ND2-O 3.22Å; N1147-E1186 PolarHBondContact OD1-N 3.45Å; N1147-L1188 WeakPolarHBondContact ND2-CD1 3.33Å | ||
| 1148 | F | 85 | Confident | 86.9 | Confident | 36 Ų | 36 | 37.7 Ų | 37.7 | 16% | 0.158 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -78.1 | -31.6 | -165.7 | -62 | -54.3 | 0 | 0 | 0 | 113.8 | L1143 K1146 C1151 A1152 C1178 D1181 S1183 D1184 | L1143-F1148 HydrophobicContact CD1-CE1 4.2Å; K1146-F1148 HydrophobicContact CB-CE1 4.34Å; K1146-F1148 HydrophobicContact CB-CE2 3.99Å; K1146-F1148 HydrophobicContact CB-CZ 3.81Å; K1146-F1148 HydrophobicContact CG-CZ 4.14Å; K1146-F1148 WeakPolarHBondContact O-CD2 3.26Å; K1146-F1148 PolarHBondContact O-N 3.46Å; F1148-C1151 PolarHBondContact O-N 2.99Å; F1148-A1152 VanDerWaalsContact O-CB 3.3Å; F1148-A1152 WeakPolarHBondContact O-CB 3.5Å; F1148-A1152 PolarHBondContact O-N 2.79Å; F1148-C1178 HydrophobicContact CB-CB 4.08Å; F1148-C1178 WeakPolarHBondContact O-CB 3.35Å; F1148-D1181 WeakPolarHBondContact CB-O 3.22Å; F1148-D1181 HydrophobicContact CD2-CB 3.84Å; F1148-D1181 VanDerWaalsContact CD2-O 3.31Å; F1148-D1181 WeakPolarHBondContact CD2-O 3.31Å; F1148-D1181 HydrophobicContact CE2-CB 4.09Å; F1148-S1183 PolarHBondContact N-O 2.95Å; F1148-S1183 VanDerWaalsContact N-O 3.16Å; F1148-D1184 PolarHBondContact N-OD1 3.01Å |
| 1149 | K | 86.1 | Confident | 86.9 | Confident | 111 Ų | 111 | 39.8 Ų | 39.8 | 48% | 0.483 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -69.7 | -46.3 | -179.7 | 170.8 | -165.8 | 172.8 | -161.9 | 0 | 110.3 | A1152 S1153 M1182 D1184 | K1149-A1152 PolarHBondContact O-N 3.11Å; K1149-S1153 PolarHBondContact O-N 3.43Å; K1149-M1182 HydrophobicContact CG-CE 4.25Å; K1149-D1184 WeakPolarHBondContact CB-OD2 3.32Å; K1149-D1184 PolarHBondContact N-OD1 3.33Å; K1149-D1184 VanDerWaalsContact N-OD1 3.08Å |
| 1150 | T | 85.8 | Confident | 86.9 | Confident | 16 Ų | 16 | 46.5 Ų | 46.5 | 10% | 0.098 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -65.8 | -40.4 | 173.1 | 46.9 | 0 | 0 | 0 | 0 | 112.4 | N1147 A1152 S1153 M1154 D1184 Y1190 | N1147-T1150 WeakPolarHBondContact CB-OG1 3.29Å; N1147-T1150 PolarHBondContact O-OG1 3.22Å; T1150-A1152 PolarHBondContact O-N 2.59Å; T1150-S1153 PolarHBondContact O-N 3.05Å; T1150-M1154 WeakPolarHBondContact O-CG 3.5Å; T1150-M1154 PolarHBondContact O-N 3.36Å; T1150-D1184 PolarHBondContact N-OD1 3.04Å; T1150-D1184 VanDerWaalsContact N-OD1 3.11Å; T1150-D1184 PolarHBondContact OG1-OD1 3.34Å; T1150-D1184 VanDerWaalsContact OG1-OD1 3.1Å; T1150-Y1190 HydrophobicContact CG2-CD1 4.24Å; T1150-Y1190 HydrophobicContact CG2-CE1 4.4Å |
| 1151 | C | 88.4 | Confident | 86.9 | Confident | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -59.3 | -42.7 | 173.5 | -171.4 | 0 | 0 | 0 | 0 | 112.6 | M1142 N1147 F1148 S1153 M1154 C1155 C1178 | M1142-C1151 HydrophobicContact CB-CB 3.86Å; N1147-C1151 WeakPolarHBondContact O-CB 3.46Å; N1147-C1151 PolarHBondContact O-N 2.79Å; N1147-C1151 VanDerWaalsContact O-N 3.07Å; F1148-C1151 PolarHBondContact O-N 2.99Å; C1151-S1153 PolarHBondContact O-N 3.44Å; C1151-M1154 PolarHBondContact O-N 2.66Å; C1151-C1155 PolarHBondContact O-N 3.31Å; C1151-C1155 PolarHBondContact O-SG 3.37Å; C1151-C1178 VanDerWaalsContact SG-SG 3.69Å |
| 1152 | A | 87.7 | Confident | 86.8 | Confident | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -61.5 | -41.8 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112 | F1148 K1149 T1150 C1155 R1156 L1175 C1178 M1182 | F1148-A1152 VanDerWaalsContact O-CB 3.3Å; F1148-A1152 WeakPolarHBondContact O-CB 3.5Å; F1148-A1152 PolarHBondContact O-N 2.79Å; K1149-A1152 PolarHBondContact O-N 3.11Å; T1150-A1152 PolarHBondContact O-N 2.59Å; A1152-C1155 PolarHBondContact O-N 3.12Å; A1152-R1156 WeakPolarHBondContact O-CG 3.44Å; A1152-R1156 PolarHBondContact O-N 3.29Å; A1152-L1175 HydrophobicContact CB-CD1 3.81Å; A1152-L1175 WeakPolarHBondContact O-CD1 3.42Å; A1152-C1178 HydrophobicContact CB-CB 3.96Å; A1152-M1182 HydrophobicContact CB-SD 4.42Å |
| 1153 | S | 88.5 | Confident | 86.7 | Confident | 18 Ų | 18 | 48.5 Ų | 48.5 | 13% | 0.126 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -60.3 | -47.8 | 173.7 | -179.6 | 0 | 0 | 0 | 0 | 112.1 | K1149 T1150 C1151 C1155 R1156 R1157 E1192 | K1149-S1153 PolarHBondContact O-N 3.43Å; T1150-S1153 PolarHBondContact O-N 3.05Å; C1151-S1153 PolarHBondContact O-N 3.44Å; S1153-C1155 VanDerWaalsContact C-N 3.3Å; S1153-C1155 PolarHBondContact O-N 2.94Å; S1153-R1156 PolarHBondContact O-N 2.98Å; S1153-R1156 VanDerWaalsContact O-N 3.09Å; S1153-R1157 PolarHBondContact O-N 3.31Å; S1153-E1192 WeakPolarHBondContact CB-OE2 3.29Å; S1153-E1192 PolarHBondContact OG-OE2 2.68Å |
| 1154 | M | 89.9 | Confident | 86.8 | Confident | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -61.8 | -36 | 176.2 | -67.3 | -180 | 177.2 | 0 | 0 | 112.9 | A1119 L1135 S1138 I1139 M1142 T1150 C1151 R1157 L1158 | A1119-M1154 HydrophobicContact CB-CE 3.48Å; A1119-M1154 VanDerWaalsContact CB-CE 3.48Å; L1135-M1154 HydrophobicContact CD2-CB 4.2Å; L1135-M1154 HydrophobicContact CD2-CG 4.44Å; S1138-M1154 VanDerWaalsContact OG-CE 3.27Å; S1138-M1154 WeakPolarHBondContact OG-CE 3.47Å; S1138-M1154 PolarHBondContact OG-SD 3.13Å; I1139-M1154 HydrophobicContact CD1-CB 4.32Å; I1139-M1154 HydrophobicContact CG1-CB 3.75Å; M1142-M1154 HydrophobicContact CE-CE 3.86Å; M1142-M1154 HydrophobicContact CG-CE 4.4Å; M1142-M1154 HydrophobicContact CG-SD 3.95Å; T1150-M1154 WeakPolarHBondContact O-CG 3.5Å; T1150-M1154 PolarHBondContact O-N 3.36Å; C1151-M1154 PolarHBondContact O-N 2.66Å; M1154-R1157 PolarHBondContact O-N 3.14Å; M1154-L1158 WeakPolarHBondContact O-CB 3.37Å; M1154-L1158 PolarHBondContact O-N 3.49Å |
| 1155 | C | 89.5 | Confident | 86.7 | Confident | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -65.5 | -36.6 | 174 | -68.4 | 0 | 0 | 0 | 0 | 112.4 | C1151 A1152 S1153 L1159 L1175 | C1151-C1155 PolarHBondContact O-N 3.31Å; C1151-C1155 PolarHBondContact O-SG 3.37Å; A1152-C1155 PolarHBondContact O-N 3.12Å; S1153-C1155 VanDerWaalsContact C-N 3.3Å; S1153-C1155 PolarHBondContact O-N 2.94Å; C1155-L1159 VanDerWaalsContact O-CG 3.31Å; C1155-L1159 WeakPolarHBondContact O-CG 3.46Å; C1155-L1159 PolarHBondContact O-N 2.84Å; C1155-L1159 VanDerWaalsContact O-N 3.1Å; C1155-L1175 HydrophobicContact CB-CB 4.01Å; C1155-L1175 HydrophobicContact CB-CD1 4.11Å |
| 1156 | R | 90.1 | Very high | 86.7 | Confident | 95 Ų | 95 | 49.6 Ų | 49.6 | 36% | 0.358 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -66.4 | -48.8 | 174.2 | -67.4 | 176.9 | -164.1 | 117.6 | 5.1 | 111 | A1152 S1153 L1158 L1159 E1160 L1175 E1179 | A1152-R1156 WeakPolarHBondContact O-CG 3.44Å; A1152-R1156 PolarHBondContact O-N 3.29Å; S1153-R1156 PolarHBondContact O-N 2.98Å; S1153-R1156 VanDerWaalsContact O-N 3.09Å; R1156-L1158 VanDerWaalsContact C-N 3.29Å; R1156-L1158 PolarHBondContact O-N 3.18Å; R1156-L1159 WeakPolarHBondContact O-CB 3.32Å; R1156-L1159 PolarHBondContact O-N 3.33Å; R1156-E1160 WeakPolarHBondContact O-CG 3.21Å; R1156-E1160 PolarHBondContact O-N 3.38Å; R1156-L1175 HydrophobicContact CG-CD1 4.1Å; R1156-L1175 HydrophobicContact CG-CD2 4.2Å; R1156-E1179 IonicContact CZ-OE1 2.83Å; R1156-E1179 IonicContact NE-OE1 2.74Å; R1156-E1179 IonicContact NH2-OE1 3.18Å; R1156-E1179 PolarHBondContact NH2-OE1 3.37Å |
| 1157 | R | 88.7 | Confident | 86.7 | Confident | 54 Ų | 54 | 45 Ų | 45 | 20% | 0.204 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -56.4 | -41.1 | 174 | -67.8 | 176.8 | 65 | -147.7 | -5.9 | 112.3 | T1122 H1123 L1135 S1153 M1154 L1159 E1160 L1161 | T1122-R1157 PolarHBondContact O-NH2 3.12Å; T1122-R1157 PolarHBondContact OG1-NH1 2.72Å; H1123-R1157 PolarHBondContact NE2-NH1 3.24Å; L1135-R1157 HydrophobicContact CD1-CB 4.49Å; L1135-R1157 HydrophobicContact CD2-CB 4.31Å; S1153-R1157 PolarHBondContact O-N 3.31Å; M1154-R1157 PolarHBondContact O-N 3.14Å; R1157-L1159 VanDerWaalsContact C-N 3.32Å; R1157-L1159 PolarHBondContact O-N 2.88Å; R1157-E1160 PolarHBondContact O-N 3.33Å; R1157-L1161 PolarHBondContact O-N 2.71Å |
| 1158 | L | 89.9 | Confident | 86.6 | Confident | 4 Ų | 4 | 45.3 Ų | 45.3 | 2% | 0.021 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -64 | -35.2 | 175.1 | 178 | 60 | 0 | 0 | 0 | 112.4 | I1132 L1135 R1136 I1139 M1154 R1156 P1163 V1167 A1171 | I1132-L1158 HydrophobicContact CB-CD1 4.29Å; I1132-L1158 HydrophobicContact CG1-CD1 4.11Å; I1132-L1158 HydrophobicContact CG2-CD1 4.05Å; L1135-L1158 HydrophobicContact CB-CB 4.32Å; L1135-L1158 HydrophobicContact CB-CD1 4.18Å; L1135-L1158 HydrophobicContact CD1-CB 4.28Å; L1135-L1158 HydrophobicContact CD1-CD1 4.48Å; R1136-L1158 HydrophobicContact CG-CD2 4.16Å; I1139-L1158 HydrophobicContact CD1-CB 4.17Å; I1139-L1158 HydrophobicContact CD1-CD2 3.56Å; M1154-L1158 WeakPolarHBondContact O-CB 3.37Å; M1154-L1158 PolarHBondContact O-N 3.49Å; R1156-L1158 VanDerWaalsContact C-N 3.29Å; R1156-L1158 PolarHBondContact O-N 3.18Å; L1158-P1163 HydrophobicContact CD1-CB 4.35Å; L1158-P1163 HydrophobicContact CD1-CG 4.34Å; L1158-P1163 HydrophobicContact CG-CG 4.42Å; L1158-P1163 WeakPolarHBondContact O-CD 3.5Å; L1158-P1163 WeakPolarHBondContact O-CG 3.39Å; L1158-V1167 HydrophobicContact CD1-CG1 4.45Å; L1158-V1167 HydrophobicContact CD2-CG1 4.19Å; L1158-A1171 HydrophobicContact CD2-CB 3.93Å; L1158-A1171 HydrophobicContact CG-CB 4.42Å |
| 1159 | L | 89.3 | Confident | 86.6 | Confident | 44 Ų | 44 | 51.7 Ų | 51.7 | 23% | 0.23 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -74.7 | -32 | 177 | -71.6 | 167.9 | 0 | 0 | 0 | 112.9 | C1155 R1156 R1157 L1161 G1162 A1168 A1171 R1172 L1175 | C1155-L1159 VanDerWaalsContact O-CG 3.31Å; C1155-L1159 WeakPolarHBondContact O-CG 3.46Å; C1155-L1159 PolarHBondContact O-N 2.84Å; C1155-L1159 VanDerWaalsContact O-N 3.1Å; R1156-L1159 WeakPolarHBondContact O-CB 3.32Å; R1156-L1159 PolarHBondContact O-N 3.33Å; R1157-L1159 VanDerWaalsContact C-N 3.32Å; R1157-L1159 PolarHBondContact O-N 2.88Å; L1159-L1161 VanDerWaalsContact C-N 3.28Å; L1159-L1161 PolarHBondContact O-N 3.13Å; L1159-G1162 PolarHBondContact O-N 2.76Å; L1159-A1168 HydrophobicContact CD2-CB 4.06Å; L1159-A1171 HydrophobicContact CD2-CB 4.07Å; L1159-A1171 HydrophobicContact CG-CB 4.18Å; L1159-R1172 HydrophobicContact CD1-CG 3.91Å; L1159-R1172 HydrophobicContact CD2-CG 4.03Å; L1159-L1175 HydrophobicContact CD1-CD2 4.14Å |
| 1160 | E | 89 | Confident | 86.4 | Confident | 156 Ų | 156 | 50.7 Ų | 50.7 | 73% | 0.729 | 27% | 0.271 | S | S | * | . | H | α-helix | trans | -64.2 | -29.7 | 175.4 | -72.3 | 166.8 | -178.9 | 0 | 0 | 112.9 | R1156 R1157 G1162 | R1156-E1160 WeakPolarHBondContact O-CG 3.21Å; R1156-E1160 PolarHBondContact O-N 3.38Å; R1157-E1160 PolarHBondContact O-N 3.33Å; E1160-G1162 VanDerWaalsContact C-N 3.25Å; E1160-G1162 PolarHBondContact O-N 2.81Å |
| 1161 | L | 85 | Confident | 86.3 | Confident | 52 Ų | 52 | 50.2 Ų | 50.2 | 27% | 0.272 | 27% | 0.269 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.7 | -3.4 | 178.1 | -68 | 176.4 | 0 | 0 | 0 | 115 | Q1131 I1132 L1135 R1157 L1159 | Q1131-L1161 HydrophobicContact CB-CD1 3.72Å; I1132-L1161 HydrophobicContact CG1-CB 4.2Å; I1132-L1161 HydrophobicContact CG1-CD1 4.19Å; L1135-L1161 HydrophobicContact CD1-CD1 3.5Å; R1157-L1161 PolarHBondContact O-N 2.71Å; L1159-L1161 VanDerWaalsContact C-N 3.28Å; L1159-L1161 PolarHBondContact O-N 3.13Å |
| 1162 | G | 85.2 | Confident | 86.2 | Confident | 61 Ų | 61 | 58 Ų | 58 | 63% | 0.629 | 30% | 0.298 | S | S | * | . | trans | 61.7 | 55.3 | -179.9 | 0 | 0 | 0 | 0 | 0 | 115 | L1159 E1160 | L1159-G1162 PolarHBondContact O-N 2.76Å; E1160-G1162 VanDerWaalsContact C-N 3.25Å; E1160-G1162 PolarHBondContact O-N 2.81Å | ||
| 1163 | P | 85 | Confident | 86 | Confident | 17 Ų | 17 | 68 Ų | 68 | 11% | 0.11 | 34% | 0.336 | C | S | . | . | trans | -71.7 | 170.8 | -179.4 | 33.8 | -37.1 | 0 | 0 | 0 | 111.4 | I1132 L1158 V1167 A1168 | I1132-P1163 HydrophobicContact CD1-CB 4.03Å; I1132-P1163 HydrophobicContact CG1-CB 4.3Å; I1132-P1163 HydrophobicContact CG2-CB 4.34Å; L1158-P1163 HydrophobicContact CD1-CB 4.35Å; L1158-P1163 HydrophobicContact CD1-CG 4.34Å; L1158-P1163 HydrophobicContact CG-CG 4.42Å; L1158-P1163 WeakPolarHBondContact O-CD 3.5Å; L1158-P1163 WeakPolarHBondContact O-CG 3.39Å; P1163-V1167 HydrophobicContact CB-CB 4.09Å; P1163-V1167 HydrophobicContact CB-CG1 3.82Å; P1163-V1167 HydrophobicContact CG-CG1 4.22Å; P1163-A1168 HydrophobicContact CG-CB 4.22Å | ||
| 1164 | S | 84.4 | Confident | 85.7 | Confident | 74 Ų | 74 | 68.8 Ų | 68.8 | 52% | 0.517 | 34% | 0.34 | S | S | . | . | trans | -53.5 | 149.8 | 178.2 | 72.5 | 0 | 0 | 0 | 0 | 112.1 | E1166 V1167 A1168 | S1164-E1166 PolarHBondContact O-N 2.83Å; S1164-V1167 PolarHBondContact O-N 2.96Å; S1164-V1167 WeakPolarHBondContact OG-CG2 3.3Å; S1164-A1168 PolarHBondContact O-N 2.81Å | ||
| 1165 | A | 82.7 | Confident | 85.5 | Confident | 81 Ų | 81 | 69.8 Ų | 69.8 | 67% | 0.669 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -57.6 | -24.9 | -172.4 | 0 | 0 | 0 | 0 | 0 | 114 | R1169 | A1165-R1169 WeakPolarHBondContact O-CB 3.2Å; A1165-R1169 PolarHBondContact O-N 3.19Å |
| 1166 | E | 83.1 | Confident | 85.1 | Confident | 114 Ų | 114 | 72.4 Ų | 72.4 | 53% | 0.533 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -75.7 | -51.1 | 172.3 | 177.5 | 162.7 | -158.6 | 0 | 0 | 112.7 | S1164 A1168 R1169 Q1170 | S1164-E1166 PolarHBondContact O-N 2.83Å; E1166-A1168 VanDerWaalsContact C-N 3.26Å; E1166-A1168 PolarHBondContact O-N 2.88Å; E1166-R1169 WeakPolarHBondContact O-CA 3.38Å; E1166-R1169 VanDerWaalsContact O-CB 3.3Å; E1166-R1169 WeakPolarHBondContact O-CB 3.49Å; E1166-R1169 PolarHBondContact O-N 2.87Å; E1166-Q1170 WeakPolarHBondContact O-CG 3.32Å; E1166-Q1170 PolarHBondContact O-N 3.19Å |
| 1167 | V | 83 | Confident | 84.4 | Confident | 10 Ų | 10 | 70.3 Ų | 70.3 | 6% | 0.061 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -60.1 | -38.9 | 177 | 174.4 | 0 | 0 | 0 | 0 | 110.6 | R1136 L1158 P1163 S1164 R1169 Q1170 A1171 | R1136-V1167 HydrophobicContact CG-CG1 4.32Å; L1158-V1167 HydrophobicContact CD1-CG1 4.45Å; L1158-V1167 HydrophobicContact CD2-CG1 4.19Å; P1163-V1167 HydrophobicContact CB-CB 4.09Å; P1163-V1167 HydrophobicContact CB-CG1 3.82Å; P1163-V1167 HydrophobicContact CG-CG1 4.22Å; S1164-V1167 PolarHBondContact O-N 2.96Å; S1164-V1167 WeakPolarHBondContact OG-CG2 3.3Å; V1167-R1169 VanDerWaalsContact C-N 3.32Å; V1167-R1169 PolarHBondContact O-N 2.74Å; V1167-Q1170 PolarHBondContact O-N 3.08Å; V1167-A1171 WeakPolarHBondContact O-CB 3.47Å; V1167-A1171 PolarHBondContact O-N 2.89Å |
| 1168 | A | 83.4 | Confident | 84.1 | Confident | 9 Ų | 9 | 67.7 Ų | 67.7 | 7% | 0.074 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -61.2 | -37.4 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | L1159 P1163 S1164 E1166 R1172 | L1159-A1168 HydrophobicContact CD2-CB 4.06Å; P1163-A1168 HydrophobicContact CG-CB 4.22Å; S1164-A1168 PolarHBondContact O-N 2.81Å; E1166-A1168 VanDerWaalsContact C-N 3.26Å; E1166-A1168 PolarHBondContact O-N 2.88Å; A1168-R1172 WeakPolarHBondContact O-CB 3.44Å; A1168-R1172 VanDerWaalsContact O-CG 3.28Å; A1168-R1172 WeakPolarHBondContact O-CG 3.43Å; A1168-R1172 PolarHBondContact O-N 2.92Å |
| 1169 | R | 83.7 | Confident | 83.6 | Confident | 170 Ų | 170 | 72 Ų | 72 | 64% | 0.642 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -69 | -42.5 | 176.7 | -163 | -167.8 | -48.8 | 155.4 | 8.8 | 111.3 | A1165 E1166 V1167 R1173 | A1165-R1169 WeakPolarHBondContact O-CB 3.2Å; A1165-R1169 PolarHBondContact O-N 3.19Å; E1166-R1169 WeakPolarHBondContact O-CA 3.38Å; E1166-R1169 VanDerWaalsContact O-CB 3.3Å; E1166-R1169 WeakPolarHBondContact O-CB 3.49Å; E1166-R1169 PolarHBondContact O-N 2.87Å; V1167-R1169 VanDerWaalsContact C-N 3.32Å; V1167-R1169 PolarHBondContact O-N 2.74Å; R1169-R1173 PolarHBondContact O-N 2.69Å; R1169-R1173 VanDerWaalsContact O-N 3.14Å |
| 1170 | Q | 82 | Confident | 82.9 | Confident | 90 Ų | 90 | 77.9 Ų | 77.9 | 42% | 0.421 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -62.5 | -49.2 | 174.5 | -66.1 | 176.3 | 3.7 | 0 | 0 | 110.8 | E1166 V1167 R1172 R1173 V1174 | E1166-Q1170 WeakPolarHBondContact O-CG 3.32Å; E1166-Q1170 PolarHBondContact O-N 3.19Å; V1167-Q1170 PolarHBondContact O-N 3.08Å; Q1170-R1172 PolarHBondContact O-N 3.01Å; Q1170-R1173 WeakPolarHBondContact O-CB 3.41Å; Q1170-R1173 PolarHBondContact O-N 3.16Å; Q1170-R1173 VanDerWaalsContact O-N 3.09Å; Q1170-V1174 PolarHBondContact O-N 3.29Å |
| 1171 | A | 84.2 | Confident | 81.9 | Confident | 6 Ų | 6 | 75.2 Ų | 75.2 | 5% | 0.05 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -59.3 | -43.4 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | L1158 L1159 V1167 R1173 V1174 L1175 | L1158-A1171 HydrophobicContact CD2-CB 3.93Å; L1158-A1171 HydrophobicContact CG-CB 4.42Å; L1159-A1171 HydrophobicContact CD2-CB 4.07Å; L1159-A1171 HydrophobicContact CG-CB 4.18Å; V1167-A1171 WeakPolarHBondContact O-CB 3.47Å; V1167-A1171 PolarHBondContact O-N 2.89Å; A1171-R1173 VanDerWaalsContact C-N 3.33Å; A1171-R1173 PolarHBondContact O-N 2.99Å; A1171-V1174 PolarHBondContact O-N 3.37Å; A1171-L1175 WeakPolarHBondContact O-CB 3.22Å; A1171-L1175 PolarHBondContact O-N 3.43Å |
| 1172 | R | 86.9 | Confident | 81.5 | Confident | 163 Ų | 163 | 77.6 Ų | 77.6 | 62% | 0.615 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -62.4 | -37.2 | 173.9 | -73.1 | 171.6 | -170.2 | 154.7 | 4.8 | 112.9 | L1159 A1168 Q1170 A1176 | L1159-R1172 HydrophobicContact CD1-CG 3.91Å; L1159-R1172 HydrophobicContact CD2-CG 4.03Å; A1168-R1172 WeakPolarHBondContact O-CB 3.44Å; A1168-R1172 VanDerWaalsContact O-CG 3.28Å; A1168-R1172 WeakPolarHBondContact O-CG 3.43Å; A1168-R1172 PolarHBondContact O-N 2.92Å; Q1170-R1172 PolarHBondContact O-N 3.01Å; R1172-A1176 WeakPolarHBondContact O-CB 3.44Å; R1172-A1176 PolarHBondContact O-N 3.23Å |
| 1173 | R | 82.1 | Confident | 81.2 | Confident | 211 Ų | 211 | 77.6 Ų | 77.6 | 80% | 0.796 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -67.5 | -39.6 | 176.9 | -174 | -178.9 | -179.9 | -176.2 | 0.5 | 111.9 | R1169 Q1170 A1171 A1177 | R1169-R1173 PolarHBondContact O-N 2.69Å; R1169-R1173 VanDerWaalsContact O-N 3.14Å; Q1170-R1173 WeakPolarHBondContact O-CB 3.41Å; Q1170-R1173 PolarHBondContact O-N 3.16Å; Q1170-R1173 VanDerWaalsContact O-N 3.09Å; A1171-R1173 VanDerWaalsContact C-N 3.33Å; A1171-R1173 PolarHBondContact O-N 2.99Å; R1173-A1177 PolarHBondContact O-N 2.69Å |
| 1174 | V | 82.9 | Confident | 81 | Confident | 33 Ų | 33 | 79.6 Ų | 79.6 | 20% | 0.2 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -68.6 | -45.9 | 174.7 | 177.6 | 0 | 0 | 0 | 0 | 110.5 | I1139 L1143 Q1170 A1171 A1176 A1177 C1178 | I1139-V1174 HydrophobicContact CG2-CG1 4.1Å; L1143-V1174 HydrophobicContact CD1-CG1 4.42Å; Q1170-V1174 PolarHBondContact O-N 3.29Å; A1171-V1174 PolarHBondContact O-N 3.37Å; V1174-A1176 PolarHBondContact O-N 2.82Å; V1174-A1177 WeakPolarHBondContact O-CA 3.4Å; V1174-A1177 WeakPolarHBondContact O-CB 3.18Å; V1174-A1177 PolarHBondContact O-N 3.05Å; V1174-C1178 PolarHBondContact O-N 2.95Å; V1174-C1178 PolarHBondContact O-SG 3.39Å; V1174-C1178 VanDerWaalsContact O-SG 3.35Å |
| 1175 | L | 86.2 | Confident | 80.6 | Confident | 22 Ų | 22 | 82.3 Ų | 82.3 | 12% | 0.115 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -54.9 | -49.5 | 176.4 | -177 | 62.7 | 0 | 0 | 0 | 111.8 | A1152 C1155 R1156 L1159 A1171 A1177 C1178 E1179 | A1152-L1175 HydrophobicContact CB-CD1 3.81Å; A1152-L1175 WeakPolarHBondContact O-CD1 3.42Å; C1155-L1175 HydrophobicContact CB-CB 4.01Å; C1155-L1175 HydrophobicContact CB-CD1 4.11Å; R1156-L1175 HydrophobicContact CG-CD1 4.1Å; R1156-L1175 HydrophobicContact CG-CD2 4.2Å; L1159-L1175 HydrophobicContact CD1-CD2 4.14Å; A1171-L1175 WeakPolarHBondContact O-CB 3.22Å; A1171-L1175 PolarHBondContact O-N 3.43Å; L1175-A1177 PolarHBondContact O-N 3.02Å; L1175-C1178 PolarHBondContact O-N 2.9Å; L1175-C1178 VanDerWaalsContact O-N 3.14Å; L1175-E1179 HydrophobicContact CD1-CG 4.1Å; L1175-E1179 HydrophobicContact CG-CG 4.38Å; L1175-E1179 WeakPolarHBondContact O-CB 3.27Å; L1175-E1179 WeakPolarHBondContact O-CG 3.33Å; L1175-E1179 PolarHBondContact O-N 3.12Å |
| 1176 | A | 79.7 | Confident | 80.4 | Confident | 55 Ų | 55 | 81.8 Ų | 81.8 | 46% | 0.455 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -67.5 | -12.3 | 177.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | R1172 V1174 K1180 | R1172-A1176 WeakPolarHBondContact O-CB 3.44Å; R1172-A1176 PolarHBondContact O-N 3.23Å; V1174-A1176 PolarHBondContact O-N 2.82Å; A1176-K1180 WeakPolarHBondContact O-CE 3.47Å |
| 1177 | A | 77.2 | Confident | 80.3 | Confident | 50 Ų | 50 | 84.7 Ų | 84.7 | 41% | 0.413 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -87.6 | -44.2 | 168.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | R1173 V1174 L1175 K1180 | R1173-A1177 PolarHBondContact O-N 2.69Å; V1174-A1177 WeakPolarHBondContact O-CA 3.4Å; V1174-A1177 WeakPolarHBondContact O-CB 3.18Å; V1174-A1177 PolarHBondContact O-N 3.05Å; L1175-A1177 PolarHBondContact O-N 3.02Å; A1177-K1180 WeakPolarHBondContact O-CB 3.17Å; A1177-K1180 PolarHBondContact O-N 2.96Å |
| 1178 | C | 81 | Confident | 80.2 | Confident | 0 Ų | 0 | 85.7 Ų | 85.7 | 0% | 0 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -66.4 | -35.7 | 178.4 | -63.3 | 0 | 0 | 0 | 0 | 113.2 | F1148 C1151 A1152 V1174 L1175 K1180 D1181 | F1148-C1178 HydrophobicContact CB-CB 4.08Å; F1148-C1178 WeakPolarHBondContact O-CB 3.35Å; C1151-C1178 VanDerWaalsContact SG-SG 3.69Å; A1152-C1178 HydrophobicContact CB-CB 3.96Å; V1174-C1178 PolarHBondContact O-N 2.95Å; V1174-C1178 PolarHBondContact O-SG 3.39Å; V1174-C1178 VanDerWaalsContact O-SG 3.35Å; L1175-C1178 PolarHBondContact O-N 2.9Å; L1175-C1178 VanDerWaalsContact O-N 3.14Å; C1178-K1180 PolarHBondContact O-N 3.38Å; C1178-D1181 CarbonylContact O-C 3.44Å; C1178-D1181 PolarHBondContact O-N 3.3Å |
| 1179 | E | 79.1 | Confident | 80.2 | Confident | 93 Ų | 93 | 89.9 Ų | 89.9 | 44% | 0.435 | 43% | 0.433 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.4 | -10.8 | 179.1 | -73 | 178.3 | 159.3 | 0 | 0 | 113.8 | R1156 L1175 | R1156-E1179 IonicContact CZ-OE1 2.83Å; R1156-E1179 IonicContact NE-OE1 2.74Å; R1156-E1179 IonicContact NH2-OE1 3.18Å; R1156-E1179 PolarHBondContact NH2-OE1 3.37Å; L1175-E1179 HydrophobicContact CD1-CG 4.1Å; L1175-E1179 HydrophobicContact CG-CG 4.38Å; L1175-E1179 WeakPolarHBondContact O-CB 3.27Å; L1175-E1179 WeakPolarHBondContact O-CG 3.33Å; L1175-E1179 PolarHBondContact O-N 3.12Å |
| 1180 | K | 75.4 | Confident | 80.3 | Confident | 169 Ų | 169 | 83 Ų | 83 | 74% | 0.735 | 41% | 0.407 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.7 | -36.6 | 172.4 | -64.4 | 179.8 | -180 | -177 | 0 | 112.8 | A1176 A1177 C1178 | A1176-K1180 WeakPolarHBondContact O-CE 3.47Å; A1177-K1180 WeakPolarHBondContact O-CB 3.17Å; A1177-K1180 PolarHBondContact O-N 2.96Å; C1178-K1180 PolarHBondContact O-N 3.38Å |
| 1181 | D | 67.2 | Low | 80.4 | Confident | 100 Ų | 100 | 81.9 Ų | 81.9 | 54% | 0.535 | 40% | 0.404 | S | S | . | . | S | Bend | trans | -126.4 | 74.8 | -176 | -73.7 | -39 | 0 | 0 | 0 | 109.6 | F1148 C1178 S1183 | F1148-D1181 WeakPolarHBondContact CB-O 3.22Å; F1148-D1181 HydrophobicContact CD2-CB 3.84Å; F1148-D1181 VanDerWaalsContact CD2-O 3.31Å; F1148-D1181 WeakPolarHBondContact CD2-O 3.31Å; F1148-D1181 HydrophobicContact CE2-CB 4.09Å; C1178-D1181 CarbonylContact O-C 3.44Å; C1178-D1181 PolarHBondContact O-N 3.3Å; D1181-S1183 PolarHBondContact O-N 2.79Å |
| 1182 | M | 76.8 | Confident | 80.3 | Confident | 101 Ų | 101 | 84.7 Ų | 84.7 | 50% | 0.498 | 42% | 0.416 | S | S | . | . | trans | -73.1 | 55.8 | -175.9 | -76.5 | -72.8 | -68.2 | 0 | 0 | 114 | K1149 A1152 | K1149-M1182 HydrophobicContact CG-CE 4.25Å; A1152-M1182 HydrophobicContact CB-SD 4.42Å | ||
| 1183 | S | 78.9 | Confident | 80.1 | Confident | 62 Ų | 62 | 84.2 Ų | 84.2 | 43% | 0.434 | 43% | 0.425 | S | S | . | . | trans | -130.2 | 144.9 | 176.9 | 62 | 0 | 0 | 0 | 0 | 111.3 | F1148 D1181 | F1148-S1183 PolarHBondContact N-O 2.95Å; F1148-S1183 VanDerWaalsContact N-O 3.16Å; D1181-S1183 PolarHBondContact O-N 2.79Å | ||
| 1184 | D | 81.2 | Confident | 80.2 | Confident | 58 Ų | 58 | 76.6 Ų | 76.6 | 31% | 0.31 | 40% | 0.4 | S | S | . | . | trans | -100.4 | 136.2 | 165.7 | -62 | -50.2 | 0 | 0 | 0 | 108.1 | N1147 F1148 K1149 T1150 | N1147-D1184 VanDerWaalsContact CA-OD1 3.3Å; N1147-D1184 WeakPolarHBondContact CA-OD1 3.36Å; N1147-D1184 HydrophobicContact CB-CB 4.21Å; N1147-D1184 WeakPolarHBondContact CB-OD1 3.39Å; F1148-D1184 PolarHBondContact N-OD1 3.01Å; K1149-D1184 WeakPolarHBondContact CB-OD2 3.32Å; K1149-D1184 PolarHBondContact N-OD1 3.33Å; K1149-D1184 VanDerWaalsContact N-OD1 3.08Å; T1150-D1184 PolarHBondContact N-OD1 3.04Å; T1150-D1184 VanDerWaalsContact N-OD1 3.11Å; T1150-D1184 PolarHBondContact OG1-OD1 3.34Å; T1150-D1184 VanDerWaalsContact OG1-OD1 3.1Å | ||
| 1185 | K | 76.8 | Confident | 80.3 | Confident | 131 Ų | 131 | 79 Ų | 79 | 57% | 0.57 | 42% | 0.416 | S | S | * | . | S | Bend | trans | -87 | -39.6 | -179.1 | -66.3 | -156.1 | -179.5 | -147.7 | 0 | 112.8 | K1146 N1147 | K1146-K1185 HydrophobicContact CB-CD 3.92Å; K1146-K1185 HydrophobicContact CB-CG 4.16Å; K1146-K1185 HydrophobicContact CD-CD 4.25Å; N1147-K1185 PolarHBondContact OD1-N 3Å |
| 1186 | E | 77.8 | Confident | 80.5 | Confident | 70 Ų | 70 | 79.3 Ų | 79.3 | 33% | 0.327 | 42% | 0.417 | S | S | . | . | S | Bend | trans | -106.9 | 133 | -178.9 | -61.4 | -57.1 | 150.4 | 0 | 0 | 110.1 | N1147 L1188 | N1147-E1186 PolarHBondContact ND2-O 3.22Å; N1147-E1186 PolarHBondContact OD1-N 3.45Å; E1186-L1188 PolarHBondContact O-N 3.16Å |
| 1187 | L | 80.3 | Confident | 80.8 | Confident | 176 Ų | 176 | 79.3 Ų | 79.3 | 92% | 0.921 | 41% | 0.413 | S | S | * | . | trans | -75.8 | 118 | 175.5 | -74.4 | 162.6 | 0 | 0 | 0 | 109.7 | ||||
| 1188 | L | 81.5 | Confident | 81.4 | Confident | 31 Ų | 31 | 77.6 Ų | 77.6 | 16% | 0.162 | 40% | 0.397 | C | S | . | . | trans | -105.5 | 145.6 | 178 | -54 | 178.7 | 0 | 0 | 0 | 110.3 | A1112 E1116 M1142 N1147 E1186 Y1190 | A1112-L1188 HydrophobicContact CB-CD2 3.93Å; E1116-L1188 HydrophobicContact CG-CB 4.04Å; E1116-L1188 HydrophobicContact CG-CD2 4.06Å; M1142-L1188 HydrophobicContact CE-CD1 3.68Å; M1142-L1188 HydrophobicContact SD-CD1 3.77Å; N1147-L1188 WeakPolarHBondContact ND2-CD1 3.33Å; E1186-L1188 PolarHBondContact O-N 3.16Å; L1188-Y1190 PolarHBondContact O-N 3.01Å | ||
| 1189 | E | 83.1 | Confident | 81.9 | Confident | 97 Ų | 97 | 77.6 Ų | 77.6 | 45% | 0.453 | 40% | 0.397 | S | S | . | . | S | Bend | trans | -71.6 | 36.7 | 171.1 | -71.1 | -170.3 | 171.8 | 0 | 0 | 113.2 | E1116 Y1120 K1204 Y1207 | E1116-E1189 PolarHBondContact OE1-N 3.02Å; Y1120-E1189 PolarHBondContact OH-O 3.35Å; Y1120-E1189 VanDerWaalsContact OH-O 3.11Å; E1189-K1204 IonicContact OE1-NZ 3.41Å; E1189-K1204 PolarHBondContact OE1-NZ 3.44Å; E1189-K1204 WeakPolarHBondContact OE2-CE 3.35Å; E1189-K1204 IonicContact OE2-NZ 2.69Å; E1189-K1204 PolarHBondContact OE2-NZ 3.13Å; E1189-Y1207 PolarHBondContact O-OH 2.79Å |
| 1190 | Y | 85.7 | Confident | 82.4 | Confident | 24 Ų | 24 | 73.5 Ų | 73.5 | 9% | 0.094 | 38% | 0.379 | C | S | . | . | trans | -121.8 | 111.6 | -172.2 | 173.2 | -99 | 0 | 0 | 0 | 112.1 | A1119 Y1120 H1123 T1150 L1188 E1192 F1196 | A1119-Y1190 HydrophobicContact CB-CD2 3.8Å; A1119-Y1190 HydrophobicContact CB-CE2 3.88Å; A1119-Y1190 HydrophobicContact CB-CG 4.19Å; Y1120-Y1190 HydrophobicContact CD1-CD2 4.06Å; Y1120-Y1190 HydrophobicContact CE1-CD2 4.02Å; H1123-Y1190 AromaticContact CD2-CE2 3.79Å; H1123-Y1190 AromaticContact NE2-CE2 3.48Å; H1123-Y1190 WeakPolarHBondContact NE2-CE2 3.44Å; H1123-Y1190 AromaticContact NE2-CZ 3.62Å; H1123-Y1190 PolarHBondContact NE2-OH 3.12Å; T1150-Y1190 HydrophobicContact CG2-CD1 4.24Å; T1150-Y1190 HydrophobicContact CG2-CE1 4.4Å; L1188-Y1190 PolarHBondContact O-N 3.01Å; Y1190-E1192 HydrophobicContact CE1-CB 3.87Å; Y1190-E1192 WeakPolarHBondContact OH-CB 3.35Å; Y1190-F1196 HydrophobicContact CD2-CE1 4.33Å; Y1190-F1196 HydrophobicContact CD2-CZ 4.24Å; Y1190-F1196 HydrophobicContact CE2-CE1 4.15Å; Y1190-F1196 HydrophobicContact CE2-CZ 4.05Å | ||
| 1191 | D | 84.2 | Confident | 83.1 | Confident | 67 Ų | 67 | 67.5 Ų | 67.5 | 36% | 0.358 | 35% | 0.354 | S | S | . | . | trans | -110.7 | 116 | 169 | 178 | 6.2 | 0 | 0 | 0 | 109.5 | L1193 N1194 Y1207 | D1191-L1193 WeakPolarHBondContact OD1-CB 3.13Å; D1191-L1193 PolarHBondContact OD1-N 2.05Å; D1191-N1194 HydrophobicContact CB-CB 4.48Å; D1191-N1194 WeakPolarHBondContact OD2-CB 3.47Å; D1191-Y1207 HydrophobicContact CB-CE1 3.81Å; D1191-Y1207 PolarHBondContact N-OH 2.82Å | ||
| 1192 | E | 81.9 | Confident | 84.1 | Confident | 66 Ų | 66 | 65 Ų | 65 | 31% | 0.308 | 34% | 0.343 | S | S | . | . | S | Bend | trans | -80.6 | -16.9 | -179.3 | 66.4 | -172.9 | 177.7 | 0 | 0 | 114.2 | S1153 Y1190 | S1153-E1192 WeakPolarHBondContact CB-OE2 3.29Å; S1153-E1192 PolarHBondContact OG-OE2 2.68Å; Y1190-E1192 HydrophobicContact CE1-CB 3.87Å; Y1190-E1192 WeakPolarHBondContact OH-CB 3.35Å |
| 1193 | L | 83.6 | Confident | 84.6 | Confident | 152 Ų | 152 | 60.4 Ų | 60.4 | 80% | 0.796 | 32% | 0.32 | S | S | * | . | S | Bend | trans | -89.9 | -19.2 | -175.8 | -60.5 | 176.8 | 0 | 0 | 0 | 112.3 | D1191 | D1191-L1193 WeakPolarHBondContact OD1-CB 3.13Å; D1191-L1193 PolarHBondContact OD1-N 2.05Å |
| 1194 | N | 84.6 | Confident | 85.1 | Confident | 52 Ų | 52 | 61.3 Ų | 61.3 | 28% | 0.278 | 32% | 0.317 | S | S | . | . | S | Bend | trans | -105.6 | 109.2 | -178.8 | -172.1 | -0.9 | 0 | 0 | 0 | 110.7 | D1191 F1196 Y1207 | D1191-N1194 HydrophobicContact CB-CB 4.48Å; D1191-N1194 WeakPolarHBondContact OD2-CB 3.47Å; N1194-F1196 WeakPolarHBondContact O-CD1 3.41Å; N1194-F1196 PolarHBondContact O-N 2.8Å; N1194-Y1207 HydrophobicContact CB-CD1 3.85Å; N1194-Y1207 HydrophobicContact CB-CE1 4.31Å; N1194-Y1207 WeakPolarHBondContact O-CD1 3.39Å |
| 1195 | P | 84.9 | Confident | 85.5 | Confident | 83 Ų | 83 | 59.1 Ų | 59.1 | 54% | 0.539 | 31% | 0.306 | S | S | . | . | trans | -55 | 131.3 | -178.9 | -26.9 | 35.2 | 0 | 0 | 0 | 112.6 | R1208 | P1195-R1208 WeakPolarHBondContact O-CB 3.3Å; P1195-R1208 PolarHBondContact O-N 3.35Å | ||
| 1196 | F | 89.5 | Confident | 86.1 | Confident | 29 Ų | 29 | 53.4 Ų | 53.4 | 13% | 0.127 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 159.4 | -178.9 | 63.2 | -97.4 | 0 | 0 | 0 | 112.2 | Y1120 H1123 Y1190 N1194 V1198 P1205 I1206 Y1207 | Y1120-F1196 AromaticContact CD1-CE2 3.87Å; Y1120-F1196 HydrophobicContact CD1-CE2 3.87Å; Y1120-F1196 AromaticContact CD1-CZ 3.92Å; Y1120-F1196 HydrophobicContact CD1-CZ 3.92Å; H1123-F1196 HydrophobicContact CB-CE2 4.24Å; H1123-F1196 HydrophobicContact CB-CZ 4.09Å; H1123-F1196 AromaticContact CD2-CZ 3.54Å; H1123-F1196 AromaticContact CG-CZ 3.79Å; Y1190-F1196 HydrophobicContact CD2-CE1 4.33Å; Y1190-F1196 HydrophobicContact CD2-CZ 4.24Å; Y1190-F1196 HydrophobicContact CE2-CE1 4.15Å; Y1190-F1196 HydrophobicContact CE2-CZ 4.05Å; N1194-F1196 WeakPolarHBondContact O-CD1 3.41Å; N1194-F1196 PolarHBondContact O-N 2.8Å; F1196-V1198 HydrophobicContact CD2-CG2 4.16Å; F1196-V1198 HydrophobicContact CE2-CG2 3.96Å; F1196-P1205 HydrophobicContact CB-CB 3.92Å; F1196-P1205 HydrophobicContact CD1-CB 4.4Å; F1196-P1205 HydrophobicContact CD2-CB 3.59Å; F1196-P1205 HydrophobicContact CE2-CB 4.2Å; F1196-P1205 HydrophobicContact CG-CB 3.72Å; F1196-I1206 VanDerWaalsContact CA-O 3.28Å; F1196-I1206 WeakPolarHBondContact CA-O 3.35Å; F1196-Y1207 HydrophobicContact CB-CD1 3.75Å; F1196-Y1207 HydrophobicContact CB-CE1 4.01Å; F1196-Y1207 HydrophobicContact CB-CG 4.29Å; F1196-Y1207 HydrophobicContact CD1-CD1 4.2Å; F1196-Y1207 AromaticContact CD1-CE1 3.7Å; F1196-Y1207 HydrophobicContact CD1-CE1 3.7Å; F1196-Y1207 HydrophobicContact CG-CD1 4.38Å; F1196-Y1207 HydrophobicContact CG-CE1 4.16Å |
| 1197 | S | 86.2 | Confident | 86.7 | Confident | 54 Ų | 54 | 51.7 Ų | 51.7 | 38% | 0.378 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 144.5 | 166.5 | -56.2 | 0 | 0 | 0 | 0 | 109.5 | I1206 | S1197-I1206 PolarHBondContact N-O 2.91Å; S1197-I1206 WeakPolarHBondContact O-CA 3.34Å; S1197-I1206 WeakPolarHBondContact O-CB 3.43Å; S1197-I1206 PolarHBondContact O-N 2.89Å |
| 1198 | V | 89.8 | Confident | 86.9 | Confident | 14 Ų | 14 | 53.1 Ų | 53.1 | 9% | 0.085 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 126 | -173.2 | -171.8 | 0 | 0 | 0 | 0 | 110.7 | I1092 M1096 Y1120 F1196 P1200 | I1092-V1198 HydrophobicContact CG2-CB 4.45Å; M1096-V1198 HydrophobicContact CE-CB 4.14Å; M1096-V1198 HydrophobicContact CE-CG1 3.76Å; M1096-V1198 HydrophobicContact CE-CG2 4.15Å; M1096-V1198 HydrophobicContact SD-CG1 4.31Å; Y1120-V1198 HydrophobicContact CG-CG2 4.44Å; F1196-V1198 HydrophobicContact CD2-CG2 4.16Å; F1196-V1198 HydrophobicContact CE2-CG2 3.96Å; V1198-P1200 VanDerWaalsContact O-CD 3.25Å; V1198-P1200 WeakPolarHBondContact O-CD 3.37Å |
| 1199 | C | 91.3 | Very high | 86.8 | Confident | 0 Ų | 0 | 55.6 Ų | 55.6 | 0% | 0 | 30% | 0.299 | C | S | . | . | trans | -66.7 | 118.4 | 172.4 | -177.4 | 0 | 0 | 0 | 0 | 110.2 | I1201 T1202 C1203 K1204 I1206 L1223 | C1199-I1201 VanDerWaalsContact C-N 3.28Å; C1199-I1201 PolarHBondContact O-N 2.81Å; C1199-T1202 WeakPolarHBondContact CB-OG1 3.36Å; C1199-T1202 PolarHBondContact SG-OG1 2.97Å; C1199-C1203 VanDerWaalsContact O-CA 3.22Å; C1199-C1203 WeakPolarHBondContact O-CA 3.18Å; C1199-C1203 PolarHBondContact O-N 2.75Å; C1199-K1204 PolarHBondContact N-O 3.2Å; C1199-I1206 HydrophobicContact CB-CD1 4.02Å; C1199-I1206 HydrophobicContact CB-CG1 4.27Å; C1199-L1223 HydrophobicContact CB-CG 4.32Å | ||
| 1200 | P | 90.4 | Very high | 86.8 | Confident | 7 Ų | 7 | 57.4 Ų | 57.4 | 5% | 0.045 | 31% | 0.305 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.4 | -24.5 | -174.4 | -23.9 | 34.5 | 0 | 0 | 0 | 115.1 | I1092 K1099 V1198 A1220 I1221 Y1222 V1233 | I1092-P1200 HydrophobicContact CD1-CG 4.11Å; I1092-P1200 HydrophobicContact CG1-CG 4.03Å; K1099-P1200 PolarHBondContact NZ-O 2.83Å; V1198-P1200 VanDerWaalsContact O-CD 3.25Å; V1198-P1200 WeakPolarHBondContact O-CD 3.37Å; P1200-A1220 HydrophobicContact CG-CB 4.23Å; P1200-I1221 WeakPolarHBondContact CD-O 3.36Å; P1200-Y1222 HydrophobicContact CB-CE1 4.03Å; P1200-Y1222 HydrophobicContact CG-CE1 3.92Å; P1200-Y1222 HydrophobicContact CG-CE2 4.41Å; P1200-V1233 HydrophobicContact CB-CG2 3.69Å; P1200-V1233 HydrophobicContact CG-CG2 3.58Å |
| 1201 | I | 89.4 | Confident | 86.9 | Confident | 43 Ų | 43 | 64 Ų | 64 | 22% | 0.221 | 34% | 0.336 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -75.1 | -63 | 176.9 | -73.8 | 160.1 | 0 | 0 | 0 | 109.9 | K1099 C1199 Y1222 H1226 V1232 I1239 | K1099-I1201 PolarHBondContact NZ-O 3.29Å; C1199-I1201 VanDerWaalsContact C-N 3.28Å; C1199-I1201 PolarHBondContact O-N 2.81Å; I1201-Y1222 HydrophobicContact CD1-CD1 3.8Å; I1201-Y1222 HydrophobicContact CD1-CE1 3.69Å; I1201-Y1222 HydrophobicContact CG1-CD1 4.26Å; I1201-Y1222 HydrophobicContact CG1-CE1 3.88Å; I1201-H1226 HydrophobicContact CD1-CB 3.87Å; I1201-V1232 HydrophobicContact CD1-CG2 4.16Å; I1201-V1232 HydrophobicContact CG1-CG2 3.59Å; I1201-I1239 HydrophobicContact CD1-CD1 4.41Å |
| 1202 | T | 88.4 | Confident | 87.1 | Confident | 47 Ų | 47 | 63.5 Ų | 63.5 | 29% | 0.288 | 34% | 0.338 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.8 | -13.8 | -173 | 57.6 | 0 | 0 | 0 | 0 | 114.1 | R1113 C1199 K1204 L1223 | R1113-T1202 PolarHBondContact NH2-O 2.82Å; C1199-T1202 WeakPolarHBondContact CB-OG1 3.36Å; C1199-T1202 PolarHBondContact SG-OG1 2.97Å; T1202-K1204 PolarHBondContact O-N 3.04Å; T1202-L1223 HydrophobicContact CG2-CD1 4.25Å |
| 1203 | C | 88.1 | Confident | 87.6 | Confident | 5 Ų | 5 | 61.2 Ų | 61.2 | 3% | 0.034 | 33% | 0.33 | C | S | . | . | trans | 52.2 | 37.6 | -171.5 | -58.2 | 0 | 0 | 0 | 0 | 112.1 | M1096 R1113 M1117 Y1120 C1199 | M1096-C1203 HydrophobicContact CG-CB 4.34Å; R1113-C1203 PolarHBondContact NH2-O 2.97Å; M1117-C1203 HydrophobicContact CE-CB 4.08Å; M1117-C1203 HydrophobicContact CG-CB 4.39Å; M1117-C1203 HydrophobicContact SD-CB 4.32Å; Y1120-C1203 WeakPolarHBondContact CE2-O 3.37Å; C1199-C1203 VanDerWaalsContact O-CA 3.22Å; C1199-C1203 WeakPolarHBondContact O-CA 3.18Å; C1199-C1203 PolarHBondContact O-N 2.75Å | ||
| 1204 | K | 88.1 | Confident | 88 | Confident | 81 Ų | 81 | 57.3 Ų | 57.3 | 35% | 0.352 | 31% | 0.313 | S | S | . | . | trans | -111.2 | 149.8 | 176 | -72.7 | -158.7 | 171.4 | -142.6 | 0 | 111.5 | E1189 C1199 T1202 | E1189-K1204 IonicContact OE1-NZ 3.41Å; E1189-K1204 PolarHBondContact OE1-NZ 3.44Å; E1189-K1204 WeakPolarHBondContact OE2-CE 3.35Å; E1189-K1204 IonicContact OE2-NZ 2.69Å; E1189-K1204 PolarHBondContact OE2-NZ 3.13Å; C1199-K1204 PolarHBondContact N-O 3.2Å; T1202-K1204 PolarHBondContact O-N 3.04Å | ||
| 1205 | P | 90 | Very high | 88.3 | Confident | 13 Ų | 13 | 55 Ų | 55 | 8% | 0.084 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.5 | 131 | 179.8 | 30 | -33.8 | 0 | 0 | 0 | 112 | Y1120 F1196 Y1207 | Y1120-P1205 HydrophobicContact CE1-CB 4.2Å; Y1120-P1205 HydrophobicContact CE1-CG 3.79Å; F1196-P1205 HydrophobicContact CB-CB 3.92Å; F1196-P1205 HydrophobicContact CD1-CB 4.4Å; F1196-P1205 HydrophobicContact CD2-CB 3.59Å; F1196-P1205 HydrophobicContact CE2-CB 4.2Å; F1196-P1205 HydrophobicContact CG-CB 3.72Å; P1205-Y1207 HydrophobicContact CB-CD2 4.44Å; P1205-Y1207 HydrophobicContact CB-CE1 4.41Å; P1205-Y1207 HydrophobicContact CB-CE2 3.91Å; P1205-Y1207 HydrophobicContact CG-CD2 4.42Å; P1205-Y1207 HydrophobicContact CG-CE2 3.57Å |
| 1206 | I | 89.9 | Confident | 88.6 | Confident | 10 Ų | 10 | 52.5 Ų | 52.5 | 5% | 0.051 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 92.8 | 169.8 | -52.9 | 174.2 | 0 | 0 | 0 | 106.7 | F1196 S1197 C1199 K1210 I1221 Y1222 L1223 | F1196-I1206 VanDerWaalsContact CA-O 3.28Å; F1196-I1206 WeakPolarHBondContact CA-O 3.35Å; S1197-I1206 PolarHBondContact N-O 2.91Å; S1197-I1206 WeakPolarHBondContact O-CA 3.34Å; S1197-I1206 WeakPolarHBondContact O-CB 3.43Å; S1197-I1206 PolarHBondContact O-N 2.89Å; C1199-I1206 HydrophobicContact CB-CD1 4.02Å; C1199-I1206 HydrophobicContact CB-CG1 4.27Å; I1206-K1210 HydrophobicContact CG2-CB 4.35Å; I1206-I1221 HydrophobicContact CD1-CG2 3.89Å; I1206-Y1222 VanDerWaalsContact CD1-C 3.5Å; I1206-L1223 HydrophobicContact CD1-CD2 4.29Å; I1206-L1223 HydrophobicContact CD1-CG 4.35Å; I1206-L1223 HydrophobicContact CG1-CD2 3.95Å; I1206-L1223 HydrophobicContact CG1-CG 4.35Å |
| 1207 | Y | 88.7 | Confident | 88.7 | Confident | 34 Ų | 34 | 51.8 Ų | 51.8 | 13% | 0.133 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.8 | 145.7 | 177.9 | -66.8 | -74.9 | 0 | 0 | 0 | 112.3 | E1189 D1191 N1194 F1196 P1205 G1209 K1210 | E1189-Y1207 PolarHBondContact O-OH 2.79Å; D1191-Y1207 HydrophobicContact CB-CE1 3.81Å; D1191-Y1207 PolarHBondContact N-OH 2.82Å; N1194-Y1207 HydrophobicContact CB-CD1 3.85Å; N1194-Y1207 HydrophobicContact CB-CE1 4.31Å; N1194-Y1207 WeakPolarHBondContact O-CD1 3.39Å; F1196-Y1207 HydrophobicContact CB-CD1 3.75Å; F1196-Y1207 HydrophobicContact CB-CE1 4.01Å; F1196-Y1207 HydrophobicContact CB-CG 4.29Å; F1196-Y1207 HydrophobicContact CD1-CD1 4.2Å; F1196-Y1207 AromaticContact CD1-CE1 3.7Å; F1196-Y1207 HydrophobicContact CD1-CE1 3.7Å; F1196-Y1207 HydrophobicContact CG-CD1 4.38Å; F1196-Y1207 HydrophobicContact CG-CE1 4.16Å; P1205-Y1207 HydrophobicContact CB-CD2 4.44Å; P1205-Y1207 HydrophobicContact CB-CE1 4.41Å; P1205-Y1207 HydrophobicContact CB-CE2 3.91Å; P1205-Y1207 HydrophobicContact CG-CD2 4.42Å; P1205-Y1207 HydrophobicContact CG-CE2 3.57Å; Y1207-G1209 PolarHBondContact O-N 3.24Å; Y1207-K1210 PolarHBondContact O-N 2.94Å |
| 1208 | R | 84.7 | Confident | 89 | Confident | 206 Ų | 206 | 49.3 Ų | 49.3 | 78% | 0.777 | 27% | 0.265 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.1 | 126 | -179.3 | -173.2 | 177.4 | -176.3 | -178.3 | 1.7 | 111.8 | P1195 | P1195-R1208 WeakPolarHBondContact O-CB 3.3Å; P1195-R1208 PolarHBondContact O-N 3.35Å |
| 1209 | G | 80.9 | Confident | 89 | Confident | 84 Ų | 84 | 50 Ų | 50 | 87% | 0.866 | 28% | 0.275 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 101.2 | -9.2 | 179.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | Y1207 | Y1207-G1209 PolarHBondContact O-N 3.24Š|
| 1210 | K | 83.2 | Confident | 89 | Confident | 135 Ų | 135 | 50 Ų | 50 | 59% | 0.587 | 28% | 0.275 | S | S | * | . | S | Bend | trans | -78.8 | 149.5 | 167.3 | -66.1 | -172 | 177.9 | -175.3 | 0 | 111.2 | I1206 Y1207 | I1206-K1210 HydrophobicContact CG2-CB 4.35Å; Y1207-K1210 PolarHBondContact O-N 2.94Å |
| 1211 | E | 86.8 | Confident | 89.1 | Confident | 161 Ų | 161 | 52 Ų | 52 | 75% | 0.752 | 29% | 0.285 | S | S | * | . | trans | -60.6 | 145 | 172.3 | -66.4 | -174.2 | 171.2 | 0 | 0 | 111.2 | P1224 | E1211-P1224 HydrophobicContact CB-CG 3.84Š| ||
| 1212 | S | 89.3 | Confident | 89.2 | Confident | 58 Ų | 58 | 50 Ų | 50 | 41% | 0.406 | 28% | 0.275 | S | S | . | . | trans | -155.4 | 158.1 | -178.3 | 62 | 0 | 0 | 0 | 0 | 112.5 | I1221 Y1222 | S1212-I1221 VanDerWaalsContact CB-CG2 3.44Å; S1212-Y1222 WeakPolarHBondContact CA-O 3.31Å; S1212-Y1222 WeakPolarHBondContact CB-O 3.43Å | ||
| 1213 | S | 90.9 | Very high | 89.4 | Confident | 18 Ų | 18 | 49.7 Ų | 49.7 | 13% | 0.126 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 109.8 | -179.1 | -57.4 | 0 | 0 | 0 | 0 | 110 | Y1222 | S1213-Y1222 PolarHBondContact N-O 3.37Å; S1213-Y1222 WeakPolarHBondContact O-CB 3.19Å; S1213-Y1222 PolarHBondContact O-N 2.76Å |
| 1214 | P | 92.5 | Very high | 89.4 | Confident | 69 Ų | 69 | 52 Ų | 52 | 45% | 0.448 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.2 | 149.3 | 178.4 | 31 | -33.9 | 0 | 0 | 0 | 111.9 | A1220 G1240 | P1214-A1220 CarbonylContact C-O 3.55Å; P1214-A1220 WeakPolarHBondContact CA-O 3.48Å; P1214-G1240 WeakPolarHBondContact O-CA 3.13Å; P1214-G1240 PolarHBondContact O-N 2.89Å |
| 1215 | C | 92.2 | Very high | 89.5 | Confident | 3 Ų | 3 | 55.7 Ų | 55.7 | 2% | 0.02 | 31% | 0.305 | C | S | . | . | B | Isolated β-bridge | trans | -73.6 | 127.3 | 165.4 | 173 | 0 | 0 | 0 | 0 | 110.5 | F1217 C1218 G1219 A1220 Y1222 C1231 | C1215-F1217 PolarHBondContact O-N 3.38Å; C1215-C1218 VanDerWaalsContact SG-SG 3.69Å; C1215-G1219 WeakPolarHBondContact O-CA 3.21Å; C1215-G1219 PolarHBondContact O-N 3.47Å; C1215-A1220 HydrophobicContact CB-CB 4.46Å; C1215-A1220 PolarHBondContact N-O 3.08Å; C1215-Y1222 HydrophobicContact CB-CE2 4.19Å; C1215-C1231 HydrophobicContact CB-CB 3.96Å; C1215-C1231 WeakPolarHBondContact SG-CB 3.39Å |
| 1216 | S | 89.4 | Confident | 89.5 | Confident | 31 Ų | 31 | 56 Ų | 56 | 22% | 0.217 | 31% | 0.305 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.5 | -8.7 | -174.3 | -35.7 | 0 | 0 | 0 | 0 | 115.6 | E1238 K1241 C1243 | S1216-E1238 PolarHBondContact OG-O 3.03Å; S1216-K1241 WeakPolarHBondContact CB-O 3.36Å; S1216-K1241 PolarHBondContact OG-N 3.38Å; S1216-K1241 PolarHBondContact OG-O 3.35Å; S1216-C1243 VanDerWaalsContact CB-SG 3.54Å |
| 1217 | F | 92.8 | Very high | 89.4 | Confident | 14 Ų | 14 | 58 Ų | 58 | 6% | 0.061 | 32% | 0.323 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -108.5 | -63.5 | 177.8 | 176.2 | -149.9 | 0 | 0 | 0 | 112.8 | I977 L1063 L1064 P1067 I1084 C1215 C1234 V1236 S1237 | I977-F1217 HydrophobicContact CB-CB 4.03Å; I977-F1217 HydrophobicContact CB-CD2 4.22Å; I977-F1217 HydrophobicContact CB-CG 4.32Å; I977-F1217 HydrophobicContact CD1-CB 4.39Å; I977-F1217 HydrophobicContact CD1-CD1 4.23Å; I977-F1217 HydrophobicContact CD1-CD2 3.69Å; I977-F1217 HydrophobicContact CD1-CE1 4.47Å; I977-F1217 HydrophobicContact CD1-CE2 3.97Å; I977-F1217 HydrophobicContact CD1-CG 3.85Å; I977-F1217 HydrophobicContact CD1-CZ 4.35Å; I977-F1217 HydrophobicContact CG1-CB 4.49Å; I977-F1217 HydrophobicContact CG1-CD2 4.48Å; I977-F1217 HydrophobicContact CG1-CG 4.46Å; I977-F1217 HydrophobicContact CG2-CD2 4.3Å; L1063-F1217 HydrophobicContact CD1-CE1 4.19Å; L1063-F1217 HydrophobicContact CD1-CE2 4.34Å; L1063-F1217 HydrophobicContact CD1-CZ 3.85Å; L1063-F1217 HydrophobicContact CD2-CE1 4.31Å; L1063-F1217 HydrophobicContact CG-CE1 3.87Å; L1063-F1217 HydrophobicContact CG-CZ 3.89Å; L1063-F1217 WeakPolarHBondContact O-CZ 3.21Å; L1064-F1217 HydrophobicContact CD2-CE1 4.49Å; P1067-F1217 HydrophobicContact CG-CE1 4.44Å; P1067-F1217 HydrophobicContact CG-CE2 3.55Å; P1067-F1217 HydrophobicContact CG-CZ 3.5Å; P1067-F1217 VanDerWaalsContact CG-CZ 3.5Å; I1084-F1217 HydrophobicContact CD1-CE2 4.1Å; C1215-F1217 PolarHBondContact O-N 3.38Å; F1217-C1234 HydrophobicContact CD1-CB 3.8Å; F1217-C1234 HydrophobicContact CE1-CB 4.19Å; F1217-V1236 HydrophobicContact CD1-CG2 3.72Å; F1217-V1236 HydrophobicContact CE1-CG2 4.04Å; F1217-S1237 VanDerWaalsContact CB-OG 3.26Å; F1217-S1237 WeakPolarHBondContact CB-OG 3.26Å |
| 1218 | C | 91.5 | Very high | 89.4 | Confident | 2 Ų | 2 | 58.7 Ų | 58.7 | 1% | 0.014 | 34% | 0.34 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -88 | -12.4 | -174.5 | 64.7 | 0 | 0 | 0 | 0 | 114.2 | L1063 I1084 R1088 C1215 A1220 C1231 C1234 | L1063-C1218 HydrophobicContact CD2-CB 4.29Å; I1084-C1218 HydrophobicContact CG2-CB 4.39Å; R1088-C1218 WeakPolarHBondContact CD-O 3.19Å; R1088-C1218 PolarHBondContact NH1-O 2.83Å; C1215-C1218 VanDerWaalsContact SG-SG 3.69Å; C1218-A1220 VanDerWaalsContact C-N 3.26Å; C1218-A1220 PolarHBondContact O-N 3.43Å; C1218-A1220 VanDerWaalsContact SG-CB 3.55Å; C1218-C1231 VanDerWaalsContact SG-SG 3.64Å; C1218-C1234 HydrophobicContact CB-CB 4.35Å |
| 1219 | G | 90.6 | Very high | 89.8 | Confident | 29 Ų | 29 | 53.3 Ų | 53.3 | 30% | 0.299 | 32% | 0.324 | S | S | . | . | trans | 74.8 | 8.1 | -175.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | C1215 I1221 | C1215-G1219 WeakPolarHBondContact O-CA 3.21Å; C1215-G1219 PolarHBondContact O-N 3.47Å; G1219-I1221 PolarHBondContact O-N 3.09Å | ||
| 1220 | A | 91.7 | Very high | 90.3 | Very high | 0 Ų | 0 | 52.8 Ų | 52.8 | 0% | 0 | 30% | 0.304 | C | S | . | . | trans | -60.2 | 132 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111 | R1088 I1092 P1200 P1214 C1215 C1218 Y1222 V1233 | R1088-A1220 HydrophobicContact CG-CB 4.24Å; I1092-A1220 HydrophobicContact CD1-CB 4.17Å; P1200-A1220 HydrophobicContact CG-CB 4.23Å; P1214-A1220 CarbonylContact C-O 3.55Å; P1214-A1220 WeakPolarHBondContact CA-O 3.48Å; C1215-A1220 HydrophobicContact CB-CB 4.46Å; C1215-A1220 PolarHBondContact N-O 3.08Å; C1218-A1220 VanDerWaalsContact C-N 3.26Å; C1218-A1220 PolarHBondContact O-N 3.43Å; C1218-A1220 VanDerWaalsContact SG-CB 3.55Å; A1220-Y1222 HydrophobicContact CB-CE2 3.89Å; A1220-Y1222 WeakPolarHBondContact O-CD2 3.27Å; A1220-Y1222 WeakPolarHBondContact O-CE2 3.32Å; A1220-V1233 HydrophobicContact CB-CB 4.27Å; A1220-V1233 HydrophobicContact CB-CG2 3.87Å | ||
| 1221 | I | 91.9 | Very high | 90.7 | Very high | 50 Ų | 50 | 46.4 Ų | 46.4 | 26% | 0.256 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 129.9 | -171.1 | -55.2 | -176.6 | 0 | 0 | 0 | 109.9 | P1200 I1206 S1212 G1219 | P1200-I1221 WeakPolarHBondContact CD-O 3.36Å; I1206-I1221 HydrophobicContact CD1-CG2 3.89Å; S1212-I1221 VanDerWaalsContact CB-CG2 3.44Å; G1219-I1221 PolarHBondContact O-N 3.09Å |
| 1222 | Y | 92.8 | Very high | 90.9 | Very high | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 159.5 | -178.8 | -66.8 | -94.5 | 0 | 0 | 0 | 112 | P1200 I1201 I1206 S1212 S1213 C1215 A1220 H1226 C1231 V1232 I1239 | P1200-Y1222 HydrophobicContact CB-CE1 4.03Å; P1200-Y1222 HydrophobicContact CG-CE1 3.92Å; P1200-Y1222 HydrophobicContact CG-CE2 4.41Å; I1201-Y1222 HydrophobicContact CD1-CD1 3.8Å; I1201-Y1222 HydrophobicContact CD1-CE1 3.69Å; I1201-Y1222 HydrophobicContact CG1-CD1 4.26Å; I1201-Y1222 HydrophobicContact CG1-CE1 3.88Å; I1206-Y1222 VanDerWaalsContact CD1-C 3.5Å; S1212-Y1222 WeakPolarHBondContact CA-O 3.31Å; S1212-Y1222 WeakPolarHBondContact CB-O 3.43Å; S1213-Y1222 PolarHBondContact N-O 3.37Å; S1213-Y1222 WeakPolarHBondContact O-CB 3.19Å; S1213-Y1222 PolarHBondContact O-N 2.76Å; C1215-Y1222 HydrophobicContact CB-CE2 4.19Å; A1220-Y1222 HydrophobicContact CB-CE2 3.89Å; A1220-Y1222 WeakPolarHBondContact O-CD2 3.27Å; A1220-Y1222 WeakPolarHBondContact O-CE2 3.32Å; Y1222-H1226 HydrophobicContact CD1-CB 4.34Å; Y1222-C1231 HydrophobicContact CE2-CB 4.42Å; Y1222-C1231 PolarHBondContact OH-SG 3.21Å; Y1222-V1232 PolarHBondContact OH-N 2.91Å; Y1222-V1232 VanDerWaalsContact OH-N 3.16Å; Y1222-I1239 HydrophobicContact CD1-CD1 3.7Å; Y1222-I1239 HydrophobicContact CD2-CB 4.43Å; Y1222-I1239 HydrophobicContact CD2-CD1 3.78Å; Y1222-I1239 HydrophobicContact CD2-CG1 3.77Å; Y1222-I1239 HydrophobicContact CD2-CG2 3.75Å; Y1222-I1239 HydrophobicContact CE1-CD1 3.72Å; Y1222-I1239 HydrophobicContact CE2-CD1 3.81Å; Y1222-I1239 HydrophobicContact CE2-CG1 3.79Å; Y1222-I1239 HydrophobicContact CG-CD1 3.73Å; Y1222-I1239 HydrophobicContact CG-CG1 4.2Å; Y1222-I1239 HydrophobicContact CG-CG2 3.92Å |
| 1223 | L | 91.1 | Very high | 91 | Very high | 41 Ų | 41 | 38.7 Ų | 38.7 | 22% | 0.215 | 24% | 0.238 | C | C | . | . | trans | -65.4 | 147.1 | 165.2 | -66.6 | 168.1 | 0 | 0 | 0 | 110 | C1199 T1202 I1206 E1225 H1226 | C1199-L1223 HydrophobicContact CB-CG 4.32Å; T1202-L1223 HydrophobicContact CG2-CD1 4.25Å; I1206-L1223 HydrophobicContact CD1-CD2 4.29Å; I1206-L1223 HydrophobicContact CD1-CG 4.35Å; I1206-L1223 HydrophobicContact CG1-CD2 3.95Å; I1206-L1223 HydrophobicContact CG1-CG 4.35Å; L1223-E1225 PolarHBondContact O-N 3.3Å; L1223-E1225 VanDerWaalsContact O-N 3.08Å; L1223-H1226 PolarHBondContact O-N 3.46Å | ||
| 1224 | P | 88.5 | Confident | 91 | Very high | 54 Ų | 54 | 38 Ų | 38 | 35% | 0.351 | 23% | 0.233 | S | C | . | . | G | 310 helix | trans | -55.2 | -29 | -177.9 | -28 | 36 | 0 | 0 | 0 | 114.8 | E1211 H1226 A1227 | E1211-P1224 HydrophobicContact CB-CG 3.84Å; P1224-H1226 PolarHBondContact O-N 3.23Å; P1224-H1226 VanDerWaalsContact O-N 3.08Å; P1224-A1227 WeakPolarHBondContact O-CB 3.33Å; P1224-A1227 PolarHBondContact O-N 3.05Å; P1224-A1227 VanDerWaalsContact O-N 3.08Å |
| 1225 | E | 90.2 | Very high | 91 | Very high | 158 Ų | 158 | 38.3 Ų | 38.3 | 74% | 0.738 | 23% | 0.229 | S | C | * | . | G | 310 helix | trans | -57.4 | -19.4 | 175.9 | -63.3 | 169 | -154.5 | 0 | 0 | 114.3 | L1223 | L1223-E1225 PolarHBondContact O-N 3.3Å; L1223-E1225 VanDerWaalsContact O-N 3.08Å |
| 1226 | H | 90 | Very high | 91 | Very high | 19 Ų | 19 | 38.2 Ų | 38.2 | 9% | 0.088 | 23% | 0.228 | C | C | . | . | G | 310 helix | trans | -104 | 5.1 | 179.9 | -54.9 | -52.3 | 0 | 0 | 0 | 113.8 | I1201 Y1222 L1223 P1224 Q1229 I1239 | I1201-H1226 HydrophobicContact CD1-CB 3.87Å; Y1222-H1226 HydrophobicContact CD1-CB 4.34Å; L1223-H1226 PolarHBondContact O-N 3.46Å; P1224-H1226 PolarHBondContact O-N 3.23Å; P1224-H1226 VanDerWaalsContact O-N 3.08Å; H1226-Q1229 WeakPolarHBondContact O-CB 3.47Å; H1226-Q1229 PolarHBondContact O-N 3.32Å; H1226-Q1229 VanDerWaalsContact O-N 3.17Å; H1226-I1239 HydrophobicContact CB-CD1 4.24Å; H1226-I1239 WeakPolarHBondContact O-CB 3.38Å; H1226-I1239 WeakPolarHBondContact O-CD1 3.4Å |
| 1227 | A | 88.2 | Confident | 91.2 | Very high | 52 Ų | 52 | 36.7 Ų | 36.7 | 43% | 0.43 | 22% | 0.217 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.9 | 140.2 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111 | P1224 Q1229 | P1224-A1227 WeakPolarHBondContact O-CB 3.33Å; P1224-A1227 PolarHBondContact O-N 3.05Å; P1224-A1227 VanDerWaalsContact O-N 3.08Å; A1227-Q1229 PolarHBondContact O-N 2.6Å |
| 1228 | G | 88.9 | Confident | 91.1 | Very high | 48 Ų | 48 | 38.7 Ų | 38.7 | 50% | 0.495 | 23% | 0.227 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 79.2 | -9.4 | -174.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | I1239 | G1228-I1239 PolarHBondContact N-O 3.28Š|
| 1229 | Q | 92.4 | Very high | 91.2 | Very high | 93 Ų | 93 | 38.7 Ų | 38.7 | 44% | 0.435 | 23% | 0.226 | S | C | . | . | S | Bend | trans | -80.6 | 161.2 | 172.2 | -57.5 | -175 | 8.7 | 0 | 0 | 111.3 | H1226 A1227 I1239 | H1226-Q1229 WeakPolarHBondContact O-CB 3.47Å; H1226-Q1229 PolarHBondContact O-N 3.32Å; H1226-Q1229 VanDerWaalsContact O-N 3.17Å; A1227-Q1229 PolarHBondContact O-N 2.6Å; Q1229-I1239 HydrophobicContact CB-CD1 4.24Å; Q1229-I1239 WeakPolarHBondContact O-CG1 3.32Å; Q1229-I1239 PolarHBondContact O-N 3.3Å |
| 1230 | T | 91.6 | Very high | 91 | Very high | 74 Ų | 74 | 39 Ų | 39 | 45% | 0.454 | 23% | 0.229 | S | C | . | . | B | Isolated β-bridge | trans | -74.2 | 131.9 | 172.6 | 47.5 | 0 | 0 | 0 | 0 | 110.8 | V1232 | T1230-V1232 PolarHBondContact O-N 3.23Å |
| 1231 | C | 92.4 | Very high | 90.8 | Very high | 1 Ų | 1 | 41.3 Ų | 41.3 | 1% | 0.007 | 24% | 0.24 | C | C | . | . | P | Polyproline II helix | trans | -63.2 | 117.8 | -179.6 | 171.8 | 0 | 0 | 0 | 0 | 111.7 | C1215 C1218 Y1222 V1233 C1234 Q1235 S1237 I1239 | C1215-C1231 HydrophobicContact CB-CB 3.96Å; C1215-C1231 WeakPolarHBondContact SG-CB 3.39Å; C1218-C1231 VanDerWaalsContact SG-SG 3.64Å; Y1222-C1231 HydrophobicContact CE2-CB 4.42Å; Y1222-C1231 PolarHBondContact OH-SG 3.21Å; C1231-V1233 PolarHBondContact O-N 2.99Å; C1231-C1234 VanDerWaalsContact SG-SG 3.65Å; C1231-Q1235 WeakPolarHBondContact O-CA 3.26Å; C1231-Q1235 PolarHBondContact O-N 3.39Å; C1231-S1237 VanDerWaalsContact CB-O 3.27Å; C1231-S1237 WeakPolarHBondContact CB-O 3.46Å; C1231-S1237 PolarHBondContact N-O 3.31Å; C1231-I1239 HydrophobicContact CB-CG1 4.06Å |
| 1232 | V | 91.2 | Very high | 90.6 | Very high | 54 Ų | 54 | 46.7 Ų | 46.7 | 33% | 0.327 | 27% | 0.269 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.4 | -27 | 179.4 | -178.3 | 0 | 0 | 0 | 0 | 113.4 | I1201 Y1222 T1230 | I1201-V1232 HydrophobicContact CD1-CG2 4.16Å; I1201-V1232 HydrophobicContact CG1-CG2 3.59Å; Y1222-V1232 PolarHBondContact OH-N 2.91Å; Y1222-V1232 VanDerWaalsContact OH-N 3.16Å; T1230-V1232 PolarHBondContact O-N 3.23Å |
| 1233 | V | 91.1 | Very high | 90.3 | Very high | 3 Ų | 3 | 48.7 Ų | 48.7 | 2% | 0.018 | 28% | 0.282 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -71.7 | -54.3 | -179.1 | 178 | 0 | 0 | 0 | 0 | 111 | L1091 I1092 P1200 A1220 C1231 | L1091-V1233 HydrophobicContact CB-CG1 3.76Å; L1091-V1233 HydrophobicContact CD1-CG1 3.96Å; I1092-V1233 HydrophobicContact CD1-CG2 4.43Å; I1092-V1233 HydrophobicContact CG1-CG2 3.74Å; P1200-V1233 HydrophobicContact CB-CG2 3.69Å; P1200-V1233 HydrophobicContact CG-CG2 3.58Å; A1220-V1233 HydrophobicContact CB-CB 4.27Å; A1220-V1233 HydrophobicContact CB-CG2 3.87Å; C1231-V1233 PolarHBondContact O-N 2.99Å |
| 1234 | C | 90.7 | Very high | 90.1 | Very high | 3 Ų | 3 | 52.3 Ų | 52.3 | 2% | 0.02 | 31% | 0.306 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -94.9 | -12.7 | -177.8 | 72 | 0 | 0 | 0 | 0 | 114.5 | L1063 F1217 C1218 C1231 V1236 | L1063-C1234 HydrophobicContact CD2-CB 3.71Å; F1217-C1234 HydrophobicContact CD1-CB 3.8Å; F1217-C1234 HydrophobicContact CE1-CB 4.19Å; C1218-C1234 HydrophobicContact CB-CB 4.35Å; C1231-C1234 VanDerWaalsContact SG-SG 3.65Å; C1234-V1236 HydrophobicContact CB-CG2 4.11Å; C1234-V1236 PolarHBondContact O-N 2.99Å |
| 1235 | Q | 91.8 | Very high | 89.9 | Confident | 76 Ų | 76 | 51 Ų | 51 | 36% | 0.355 | 30% | 0.303 | S | S | . | . | S | Bend | trans | 60.2 | -0.3 | -178.4 | -59.3 | -179.2 | -17.2 | 0 | 0 | 116.8 | N981 P984 R1060 C1231 | N981-Q1235 PolarHBondContact ND2-O 2.98Å; P984-Q1235 HydrophobicContact CG-CB 4.47Å; R1060-Q1235 VanDerWaalsContact CZ-NE2 3.28Å; C1231-Q1235 WeakPolarHBondContact O-CA 3.26Å; C1231-Q1235 PolarHBondContact O-N 3.39Å |
| 1236 | V | 92.5 | Very high | 89.9 | Confident | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 27% | 0.273 | C | S | . | . | S | Bend | trans | -114.4 | -39.9 | -170.9 | -65.1 | 0 | 0 | 0 | 0 | 114.8 | V979 V980 N981 P984 F985 L1064 F1217 C1234 | V979-V1236 WeakPolarHBondContact CA-O 3.3Å; V979-V1236 HydrophobicContact CG1-CB 4.12Å; V979-V1236 HydrophobicContact CG2-CB 4.46Å; V979-V1236 HydrophobicContact CG2-CG2 4.43Å; V980-V1236 PolarHBondContact N-O 3.44Å; N981-V1236 PolarHBondContact N-O 2.97Å; N981-V1236 VanDerWaalsContact N-O 3.11Å; N981-V1236 WeakPolarHBondContact O-CG1 3.32Å; P984-V1236 HydrophobicContact CB-CG1 3.96Å; P984-V1236 HydrophobicContact CG-CG1 3.7Å; F985-V1236 HydrophobicContact CD2-CG1 4.06Å; F985-V1236 HydrophobicContact CE2-CB 4.01Å; F985-V1236 HydrophobicContact CE2-CG1 3.73Å; F985-V1236 HydrophobicContact CE2-CG2 4.17Å; L1064-V1236 HydrophobicContact CD2-CB 4.49Å; L1064-V1236 HydrophobicContact CD2-CG1 3.61Å; L1064-V1236 HydrophobicContact CD2-CG2 4.05Å; F1217-V1236 HydrophobicContact CD1-CG2 3.72Å; F1217-V1236 HydrophobicContact CE1-CG2 4.04Å; C1234-V1236 HydrophobicContact CB-CG2 4.11Å; C1234-V1236 PolarHBondContact O-N 2.99Å |
| 1237 | S | 92.7 | Very high | 89.8 | Confident | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 27% | 0.272 | C | S | . | . | B | Isolated β-bridge | trans | -102 | 147.9 | -168.9 | -61.7 | 0 | 0 | 0 | 0 | 114.2 | I977 G978 F1217 C1231 | I977-S1237 VanDerWaalsContact O-CB 3.3Å; I977-S1237 WeakPolarHBondContact O-CB 3.34Å; I977-S1237 PolarHBondContact O-OG 2.76Å; G978-S1237 VanDerWaalsContact O-CA 3.3Å; G978-S1237 WeakPolarHBondContact O-CA 3.37Å; F1217-S1237 VanDerWaalsContact CB-OG 3.26Å; F1217-S1237 WeakPolarHBondContact CB-OG 3.26Å; C1231-S1237 VanDerWaalsContact CB-O 3.27Å; C1231-S1237 WeakPolarHBondContact CB-O 3.46Å; C1231-S1237 PolarHBondContact N-O 3.31Å |
| 1238 | E | 92.1 | Very high | 89.9 | Confident | 55 Ų | 55 | 41.8 Ų | 41.8 | 26% | 0.257 | 25% | 0.252 | S | S | . | . | B | Isolated β-bridge | trans | -70.2 | 138.4 | 174.7 | -165.3 | 179.9 | 159.8 | 0 | 0 | 111.7 | G978 V980 S1216 K1241 | G978-E1238 PolarHBondContact O-N 3.47Å; V980-E1238 HydrophobicContact CG2-CB 3.97Å; S1216-E1238 PolarHBondContact OG-O 3.03Å; E1238-K1241 HydrophobicContact CB-CB 4.05Å; E1238-K1241 HydrophobicContact CB-CD 4.18Å; E1238-K1241 HydrophobicContact CG-CB 4.31Å; E1238-K1241 WeakPolarHBondContact OE2-CD 3.47Å; E1238-K1241 IonicContact OE2-NZ 3.65Å; E1238-K1241 PolarHBondContact OE2-NZ 2.73Å |
| 1239 | I | 92.5 | Very high | 89.8 | Confident | 2 Ų | 2 | 39.5 Ų | 39.5 | 1% | 0.01 | 23% | 0.229 | C | C | . | . | B | Isolated β-bridge | trans | -78.8 | 129.5 | 178.5 | -64.5 | 163.4 | 0 | 0 | 0 | 109.8 | I1201 Y1222 H1226 G1228 Q1229 C1231 | I1201-I1239 HydrophobicContact CD1-CD1 4.41Å; Y1222-I1239 HydrophobicContact CD1-CD1 3.7Å; Y1222-I1239 HydrophobicContact CD2-CB 4.43Å; Y1222-I1239 HydrophobicContact CD2-CD1 3.78Å; Y1222-I1239 HydrophobicContact CD2-CG1 3.77Å; Y1222-I1239 HydrophobicContact CD2-CG2 3.75Å; Y1222-I1239 HydrophobicContact CE1-CD1 3.72Å; Y1222-I1239 HydrophobicContact CE2-CD1 3.81Å; Y1222-I1239 HydrophobicContact CE2-CG1 3.79Å; Y1222-I1239 HydrophobicContact CG-CD1 3.73Å; Y1222-I1239 HydrophobicContact CG-CG1 4.2Å; Y1222-I1239 HydrophobicContact CG-CG2 3.92Å; H1226-I1239 HydrophobicContact CB-CD1 4.24Å; H1226-I1239 WeakPolarHBondContact O-CB 3.38Å; H1226-I1239 WeakPolarHBondContact O-CD1 3.4Å; G1228-I1239 PolarHBondContact N-O 3.28Å; Q1229-I1239 HydrophobicContact CB-CD1 4.24Å; Q1229-I1239 WeakPolarHBondContact O-CG1 3.32Å; Q1229-I1239 PolarHBondContact O-N 3.3Å; C1231-I1239 HydrophobicContact CB-CG1 4.06Å |
| 1240 | G | 86.2 | Confident | 89.1 | Confident | 35 Ų | 35 | 37.9 Ų | 37.9 | 36% | 0.361 | 23% | 0.228 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 81 | 6.8 | 176.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | P1214 | P1214-G1240 WeakPolarHBondContact O-CA 3.13Å; P1214-G1240 PolarHBondContact O-N 2.89Å |
| 1241 | K | 88.5 | Confident | 88.5 | Confident | 49 Ų | 49 | 38.1 Ų | 38.1 | 21% | 0.213 | 23% | 0.229 | C | C | . | . | trans | -78.2 | 127.5 | -177.4 | -167.9 | -172 | -161.9 | 129.3 | 0 | 112.4 | H974 S1216 E1238 C1243 | H974-K1241 PolarHBondContact CE1-NZ 3.01Å; H974-K1241 PolarHBondContact NE2-NZ 2.9Å; S1216-K1241 WeakPolarHBondContact CB-O 3.36Å; S1216-K1241 PolarHBondContact OG-N 3.38Å; S1216-K1241 PolarHBondContact OG-O 3.35Å; E1238-K1241 HydrophobicContact CB-CB 4.05Å; E1238-K1241 HydrophobicContact CB-CD 4.18Å; E1238-K1241 HydrophobicContact CG-CB 4.31Å; E1238-K1241 WeakPolarHBondContact OE2-CD 3.47Å; E1238-K1241 IonicContact OE2-NZ 3.65Å; E1238-K1241 PolarHBondContact OE2-NZ 2.73Å; K1241-C1243 PolarHBondContact O-N 3.4Å; K1241-C1243 PolarHBondContact O-SG 2.9Å | ||
| 1242 | N | 86.9 | Confident | 87.9 | Confident | 163 Ų | 163 | 41.2 Ų | 41.2 | 87% | 0.872 | 24% | 0.243 | S | C | * | . | trans | -70.3 | 119.6 | 171.8 | -68.3 | -35 | 0 | 0 | 0 | 110.6 | ||||
| 1243 | C | 87.2 | Confident | 86.8 | Confident | 42 Ų | 42 | 42.3 Ų | 42.3 | 28% | 0.284 | 25% | 0.247 | S | C | . | . | trans | -134.5 | 166.9 | -176.7 | -53.2 | 0 | 0 | 0 | 0 | 110.5 | Q976 G978 S1216 K1241 G1245 | Q976-C1243 VanDerWaalsContact O-CB 3.26Å; Q976-C1243 WeakPolarHBondContact O-CB 3.37Å; G978-C1243 WeakPolarHBondContact CA-SG 3.17Å; G978-C1243 PolarHBondContact N-SG 2.76Å; G978-C1243 VanDerWaalsContact N-SG 3.4Å; S1216-C1243 VanDerWaalsContact CB-SG 3.54Å; K1241-C1243 PolarHBondContact O-N 3.4Å; K1241-C1243 PolarHBondContact O-SG 2.9Å; C1243-G1245 VanDerWaalsContact C-N 3.3Å; C1243-G1245 PolarHBondContact O-N 2.87Å | ||
| 1244 | V | 85.9 | Confident | 85.2 | Confident | 117 Ų | 117 | 53.2 Ų | 53.2 | 71% | 0.709 | 29% | 0.294 | S | S | * | . | trans | -68.9 | -28.4 | -179.9 | -179.3 | 0 | 0 | 0 | 0 | 112.7 | D975 | D975-V1244 PolarHBondContact O-N 3.34Š| ||
| 1245 | G | 85.8 | Confident | 84.9 | Confident | 28 Ų | 28 | 55.7 Ų | 55.7 | 29% | 0.289 | 31% | 0.308 | S | S | . | . | trans | 101.9 | 169.7 | -171.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | Q976 C1243 T1247 | Q976-G1245 CarbonylContact O-C 3.39Å; Q976-G1245 VanDerWaalsContact O-C 3.31Å; Q976-G1245 VanDerWaalsContact O-CA 3.26Å; Q976-G1245 WeakPolarHBondContact O-CA 3.31Å; Q976-G1245 PolarHBondContact O-N 3.18Å; C1243-G1245 VanDerWaalsContact C-N 3.3Å; C1243-G1245 PolarHBondContact O-N 2.87Å; G1245-T1247 PolarHBondContact O-N 2.71Å | ||
| 1246 | L | 88.8 | Confident | 84.5 | Confident | 20 Ų | 20 | 54.6 Ų | 54.6 | 11% | 0.105 | 31% | 0.305 | C | S | . | . | trans | -63.8 | 115.2 | -178.9 | -179.5 | 77.4 | 0 | 0 | 0 | 111.8 | I977 I1066 P1067 I1084 I1248 Q1252 | I977-L1246 HydrophobicContact CG2-CB 4.37Å; I977-L1246 HydrophobicContact CG2-CD1 4.36Å; I1066-L1246 HydrophobicContact CG2-CD2 4.26Å; P1067-L1246 HydrophobicContact CB-CD1 4.35Å; P1067-L1246 HydrophobicContact CG-CD1 4.29Å; I1084-L1246 HydrophobicContact CD1-CD2 3.75Å; L1246-I1248 HydrophobicContact CD1-CG2 3.93Å; L1246-I1248 HydrophobicContact CD2-CD1 4.13Å; L1246-I1248 HydrophobicContact CD2-CG1 4.28Å; L1246-I1248 HydrophobicContact CD2-CG2 4.35Å; L1246-I1248 HydrophobicContact CG-CG1 4.42Å; L1246-I1248 HydrophobicContact CG-CG2 3.99Å; L1246-Q1252 PolarHBondContact O-NE2 2.94Å | ||
| 1247 | T | 88.7 | Confident | 84.1 | Confident | 13 Ų | 13 | 57.7 Ų | 57.7 | 8% | 0.08 | 32% | 0.322 | C | S | . | . | trans | -111.7 | 100.7 | 173 | 60.9 | 0 | 0 | 0 | 0 | 111.9 | Q976 G1245 L1253 | Q976-T1247 PolarHBondContact NE2-OG1 3.13Å; Q976-T1247 VanDerWaalsContact NE2-OG1 3.1Å; Q976-T1247 PolarHBondContact OE1-OG1 3.46Å; G1245-T1247 PolarHBondContact O-N 2.71Å; T1247-L1253 HydrophobicContact CG2-CD2 4.17Å | ||
| 1248 | I | 89.8 | Confident | 83.6 | Confident | 1 Ų | 1 | 61.1 Ų | 61.1 | 1% | 0.005 | 34% | 0.341 | C | S | . | . | trans | -116.7 | -3.2 | 179.2 | 53.3 | 166.6 | 0 | 0 | 0 | 112.9 | I1066 L1069 V1070 V1071 V1077 A1080 L1246 | I1066-I1248 WeakPolarHBondContact O-CG2 3.3Å; L1069-I1248 HydrophobicContact CB-CB 4.44Å; L1069-I1248 HydrophobicContact CB-CG2 4.37Å; V1070-I1248 WeakPolarHBondContact CA-O 3.46Å; V1071-I1248 HydrophobicContact CG2-CB 4.4Å; V1071-I1248 HydrophobicContact CG2-CD1 3.74Å; V1071-I1248 HydrophobicContact CG2-CG1 3.82Å; V1071-I1248 PolarHBondContact N-O 2.6Å; V1077-I1248 HydrophobicContact CG2-CG1 4.4Å; A1080-I1248 HydrophobicContact CB-CD1 3.54Å; L1246-I1248 HydrophobicContact CD1-CG2 3.93Å; L1246-I1248 HydrophobicContact CD2-CD1 4.13Å; L1246-I1248 HydrophobicContact CD2-CG1 4.28Å; L1246-I1248 HydrophobicContact CD2-CG2 4.35Å; L1246-I1248 HydrophobicContact CG-CG1 4.42Å; L1246-I1248 HydrophobicContact CG-CG2 3.99Å | ||
| 1249 | S | 86.5 | Confident | 83 | Confident | 1 Ų | 1 | 61.4 Ų | 61.4 | 1% | 0.007 | 35% | 0.346 | C | S | . | . | S | Bend | trans | -121.1 | 143.4 | 174.5 | -170 | 0 | 0 | 0 | 0 | 112.2 | V1071 V1251 Q1252 | V1071-S1249 WeakPolarHBondContact O-CA 3.43Å; V1071-S1249 WeakPolarHBondContact O-CB 3.11Å; V1071-S1249 PolarHBondContact O-OG 3.19Å; S1249-V1251 PolarHBondContact O-N 3.08Å; S1249-V1251 PolarHBondContact OG-N 2.79Å; S1249-V1251 VanDerWaalsContact OG-N 3.14Å; S1249-Q1252 PolarHBondContact O-N 3.44Å; S1249-Q1252 VanDerWaalsContact O-N 3.15Å |
| 1250 | S | 78.2 | Confident | 82.4 | Confident | 58 Ų | 58 | 65.4 Ų | 65.4 | 41% | 0.406 | 37% | 0.369 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.4 | -16.7 | 166.7 | 64.6 | 0 | 0 | 0 | 0 | 113.1 | ||
| 1251 | V | 78.8 | Confident | 82.1 | Confident | 79 Ų | 79 | 67.6 Ų | 67.6 | 48% | 0.479 | 37% | 0.369 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.8 | -28.3 | 174.1 | -175.6 | 0 | 0 | 0 | 0 | 111.8 | S1249 L1253 | S1249-V1251 PolarHBondContact O-N 3.08Å; S1249-V1251 PolarHBondContact OG-N 2.79Å; S1249-V1251 VanDerWaalsContact OG-N 3.14Å; V1251-L1253 VanDerWaalsContact C-N 3.27Å; V1251-L1253 PolarHBondContact O-N 2.71Å |
| 1252 | Q | 79.5 | Confident | 81.6 | Confident | 66 Ų | 66 | 69 Ų | 69 | 31% | 0.308 | 38% | 0.381 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.4 | -14.2 | 175.4 | -65.4 | 173.7 | -74.7 | 0 | 0 | 113.2 | V1077 L1246 S1249 | V1077-Q1252 HydrophobicContact CG2-CG 4.48Å; L1246-Q1252 PolarHBondContact O-NE2 2.94Å; S1249-Q1252 PolarHBondContact O-N 3.44Å; S1249-Q1252 VanDerWaalsContact O-N 3.15Å |
| 1253 | L | 69 | Low | 81.2 | Confident | 77 Ų | 77 | 61.2 Ų | 61.2 | 40% | 0.403 | 34% | 0.34 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.3 | 5.5 | -179.5 | -66.7 | 171.2 | 0 | 0 | 0 | 112.9 | R955 L956 T1247 V1251 | R955-L1253 HydrophobicContact CB-CD1 4.11Å; L956-L1253 HydrophobicContact CD2-CD1 3.83Å; L956-L1253 HydrophobicContact CG-CD1 4.3Å; T1247-L1253 HydrophobicContact CG2-CD2 4.17Å; V1251-L1253 VanDerWaalsContact C-N 3.27Å; V1251-L1253 PolarHBondContact O-N 2.71Å |
| 1254 | K | 56.2 | Low | 80.7 | Confident | 232 Ų | 232 | 62.9 Ų | 62.9 | 100% | 1.009 | 35% | 0.345 | S | S | * | . | trans | -112.4 | 0 | 177.7 | -72.5 | -179.4 | 178.7 | 179 | 0 | 110.5 |
Retrieved 1,254 of 1,254 residues in 1780.5 ms
(Link to these results)