A0A077YXH5_TRITR Loading...

WD repeat containing protein 74

AlphaFold DB , UniProt , Accession A0A077YXH5, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 338 aa.

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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
1M81Confident84.2Confident30 Ų3013.5 Ų13.515%0.1488%0.077CC..  01250-175.5-176-179.900108.6V3 F17 H264 V271 L281 V314 G318M1-V3 HydrophobicContact CE-CG2 4.21Å; M1-V3 HydrophobicContact CG-CG2 4.48Å; M1-F17 PolarHBondContact O-N 2.95Å; M1-H264 HydrophobicContact CE-CB 4.33Å; M1-V271 HydrophobicContact CE-CG2 3.52Å; M1-V271 HydrophobicContact SD-CG2 4.22Å; M1-L281 HydrophobicContact SD-CD1 4.07Å; M1-V314 HydrophobicContact CE-CB 3.93Å; M1-V314 HydrophobicContact CE-CG1 3.26Å; M1-V314 HydrophobicContact CE-CG2 3.33Å; M1-V314 HydrophobicContact CG-CG1 4.29Å; M1-G318 VanDerWaalsContact CA-O 3.24Å; M1-G318 WeakPolarHBondContact CA-O 3.18Å
2D86Confident84.4Confident0 Ų013.4 Ų13.40%08%0.075CC..EExtended strand (participates in β ladder)trans-100.5144.5171.3-71.2-55.1000110.6R14 V15 S16 S315 H320 I321D2-R14 HydrophobicContact CB-CG 4.42Å; D2-R14 VanDerWaalsContact CG-CZ 3.48Å; D2-R14 IonicContact OD1-CZ 3.7Å; D2-R14 IonicContact OD1-NE 3.47Å; D2-R14 PolarHBondContact OD1-NE 3.04Å; D2-R14 VanDerWaalsContact OD1-NE 3.09Å; D2-R14 IonicContact OD1-NH2 3.04Å; D2-R14 PolarHBondContact OD1-NH2 3.12Å; D2-R14 IonicContact OD2-CZ 2.7Å; D2-R14 VanDerWaalsContact OD2-CZ 3.29Å; D2-R14 IonicContact OD2-NE 3.92Å; D2-R14 PolarHBondContact OD2-NE 2.8Å; D2-R14 IonicContact OD2-NH2 3.77Å; D2-R14 PolarHBondContact OD2-NH2 3.08Å; D2-V15 CarbonylContact C-O 3.54Å; D2-V15 WeakPolarHBondContact CA-O 3.5Å; D2-S16 WeakPolarHBondContact OD1-CA 3.28Å; D2-S16 WeakPolarHBondContact OD1-CB 3.47Å; D2-S315 PolarHBondContact O-N 2.84Å; D2-H320 IonicContact OD1-CD2 2.69Å; D2-H320 PolarHBondContact OD1-CD2 3.43Å; D2-H320 WeakPolarHBondContact OD2-CA 3.45Å; D2-H320 IonicContact OD2-CD2 2.7Å; D2-H320 IonicContact OD2-CG 2.77Å; D2-I321 PolarHBondContact OD2-N 3.17Å
3V88.8Confident84.5Confident0 Ų012.6 Ų12.60%07%0.071CC..EExtended strand (participates in β ladder)trans-130.4130.5177-179.40000109M1 V5 R14 V15 F17 V271 L312 Q313 V314M1-V3 HydrophobicContact CE-CG2 4.21Å; M1-V3 HydrophobicContact CG-CG2 4.48Å; V3-V5 HydrophobicContact CG1-CG2 4.16Å; V3-R14 CarbonylContact O-C 3.53Å; V3-R14 WeakPolarHBondContact O-CA 3.46Å; V3-V15 PolarHBondContact N-O 3Å; V3-V15 PolarHBondContact O-N 3.35Å; V3-F17 HydrophobicContact CB-CE2 4.39Å; V3-F17 HydrophobicContact CG2-CD2 4.09Å; V3-F17 HydrophobicContact CG2-CE2 3.64Å; V3-V271 HydrophobicContact CG1-CG1 4.16Å; V3-V271 HydrophobicContact CG2-CG1 4.22Å; V3-V271 HydrophobicContact CG2-CG2 4.14Å; V3-L312 HydrophobicContact CG1-CD2 3.73Å; V3-Q313 CarbonylContact C-O 3.53Å; V3-Q313 WeakPolarHBondContact CA-O 3.29Å; V3-Q313 WeakPolarHBondContact CG1-O 3.42Å; V3-V314 HydrophobicContact CG2-CG2 4.33Å
4F90.1Very high84.8Confident0 Ų012.7 Ų12.70%07%0.069CC..EExtended strand (participates in β ladder)trans-95.9134.5174.6-67.2-96.4000109.3L12 K13 R14 W42 L47 Y59 V61 L312 Q313F4-L12 HydrophobicContact CB-CD1 4.27Å; F4-K13 CarbonylContact C-O 3.46Å; F4-K13 VanDerWaalsContact CA-O 3.29Å; F4-K13 WeakPolarHBondContact CA-O 3.47Å; F4-R14 HydrophobicContact CD1-CB 4.14Å; F4-R14 HydrophobicContact CD1-CG 4.39Å; F4-R14 HydrophobicContact CE1-CB 3.92Å; F4-R14 HydrophobicContact CE1-CG 3.94Å; F4-R14 HydrophobicContact CE2-CG 4.4Å; F4-R14 HydrophobicContact CZ-CB 4.43Å; F4-R14 HydrophobicContact CZ-CG 3.94Å; F4-W42 HydrophobicContact CD2-CH2 4.01Å; F4-W42 AromaticContact CD2-CZ2 3.57Å; F4-W42 HydrophobicContact CD2-CZ2 3.57Å; F4-W42 AromaticContact CE2-CH2 3.58Å; F4-W42 HydrophobicContact CE2-CH2 3.58Å; F4-W42 AromaticContact CE2-CZ2 3.57Å; F4-W42 HydrophobicContact CE2-CZ2 3.57Å; F4-W42 HydrophobicContact CG-CZ2 4.44Å; F4-W42 HydrophobicContact CZ-CH2 4.06Å; F4-W42 HydrophobicContact CZ-CZ2 4.45Å; F4-L47 HydrophobicContact CB-CD2 3.85Å; F4-L47 HydrophobicContact CD1-CD2 4Å; F4-L47 HydrophobicContact CG-CD2 3.96Å; F4-Y59 HydrophobicContact CE1-CE1 4.27Å; F4-V61 HydrophobicContact CE1-CG1 4.25Å; F4-V61 HydrophobicContact CE1-CG2 3.98Å; F4-V61 HydrophobicContact CZ-CB 4.38Å; F4-V61 HydrophobicContact CZ-CG1 3.66Å; F4-V61 HydrophobicContact CZ-CG2 3.75Å; F4-L312 CarbonylContact O-C 3.57Å; F4-L312 WeakPolarHBondContact O-CA 3.48Å; F4-Q313 PolarHBondContact N-O 3.13Å; F4-Q313 PolarHBondContact O-N 3.2Å
5V89.9Confident84.9Confident0 Ų012.1 Ų12.10%07%0.066CC..EExtended strand (participates in β ladder)trans-134.2128.3-168.1-168.60000107.9V3 K13 V15 V279 I309 L311 L312V3-V5 HydrophobicContact CG1-CG2 4.16Å; V5-K13 HydrophobicContact CB-CB 4.48Å; V5-K13 PolarHBondContact N-O 3.16Å; V5-K13 PolarHBondContact O-N 2.79Å; V5-V15 HydrophobicContact CG2-CG2 3.85Å; V5-V279 HydrophobicContact CG1-CG2 4.4Å; V5-V279 HydrophobicContact CG2-CG2 4.04Å; V5-I309 HydrophobicContact CG1-CB 4.13Å; V5-I309 HydrophobicContact CG1-CD1 4.05Å; V5-I309 HydrophobicContact CG1-CG1 3.91Å; V5-I309 HydrophobicContact CG1-CG2 3.19Å; V5-L311 WeakPolarHBondContact CA-O 3.38Å; V5-L312 HydrophobicContact CB-CD2 4.16Å; V5-L312 HydrophobicContact CG1-CD2 3.91Å; V5-L312 HydrophobicContact CG2-CD2 3.64Å
6S87.9Confident85Confident1 Ų111.4 Ų11.41%0.0076%0.062CC..EExtended strand (participates in β ladder)trans-101144.3170.272.30000111.6L11 G310 L311S6-L11 WeakPolarHBondContact CA-O 3.41Å; S6-G310 PolarHBondContact O-N 3.18Å; S6-L311 PolarHBondContact N-O 3.07Å; S6-L311 WeakPolarHBondContact OG-CB 3.48Å; S6-L311 WeakPolarHBondContact OG-CD1 3.25Å; S6-L311 PolarHBondContact OG-N 2.68Å
7T82.9Confident84.9Confident4 Ų411.4 Ų11.43%0.0256%0.061CC..EExtended strand (participates in β ladder)trans-103160.9172.961.90000110.9S9 G10 L11 K13T7-S9 PolarHBondContact O-N 2.81Å; T7-S9 PolarHBondContact OG1-OG 3.42Å; T7-G10 PolarHBondContact O-N 2.89Å; T7-L11 PolarHBondContact N-O 3.49Å; T7-L11 WeakPolarHBondContact OG1-CB 3.15Å; T7-L11 PolarHBondContact OG1-N 2.8Å; T7-L11 PolarHBondContact OG1-O 2.81Å; T7-K13 HydrophobicContact CG2-CD 4.41Å
8E78.8Confident84.8Confident76 Ų7614.6 Ų14.636%0.3559%0.09SC..THydrogen-bonded Turntrans-62.8-19.7174.2-73176.3170.200114.2G10 R36 S308E8-G10 PolarHBondContact O-N 3.21Å; E8-R36 WeakPolarHBondContact O-CB 3.34Å; E8-S308 PolarHBondContact N-O 3.4Å; E8-S308 VanDerWaalsContact N-O 3.16Å; E8-S308 WeakPolarHBondContact OE1-CB 3.37Å; E8-S308 PolarHBondContact OE1-OG 3.42Å; E8-S308 PolarHBondContact OE2-N 3.21Å
9S76.8Confident84.7Confident10 Ų1017.4 Ų17.47%0.0711%0.107CC..THydrogen-bonded Turntrans-74.9-9.5172.2470000114T7 Q32 E307T7-S9 PolarHBondContact O-N 2.81Å; T7-S9 PolarHBondContact OG1-OG 3.42Å; S9-Q32 CarbonylContact O-C 3.54Å; S9-E307 WeakPolarHBondContact CB-OE1 3.48Å; S9-E307 PolarHBondContact OG-OE1 3.21Å; S9-E307 VanDerWaalsContact OG-OE1 3.13Å; S9-E307 PolarHBondContact OG-OE2 3.26Å
10G79.3Confident84.5Confident18 Ų1820.9 Ų20.919%0.18613%0.132CC..SBendtrans89.48.8-17800000115T7 E8T7-G10 PolarHBondContact O-N 2.89Å; E8-G10 PolarHBondContact O-N 3.21Å
11L84.6Confident84.4Confident10 Ų1022.2 Ų22.25%0.05214%0.14CC..  trans-75.5139172.1-61.5167.2000110.4S6 T7 A31S6-L11 WeakPolarHBondContact CA-O 3.41Å; T7-L11 PolarHBondContact N-O 3.49Å; T7-L11 WeakPolarHBondContact OG1-CB 3.15Å; T7-L11 PolarHBondContact OG1-N 2.8Å; T7-L11 PolarHBondContact OG1-O 2.81Å; L11-A31 HydrophobicContact CD2-CB 3.52Å; L11-A31 HydrophobicContact CG-CB 3.94Å
12L86.6Confident84.5Confident12 Ų1223.3 Ų23.36%0.06315%0.151CC..EExtended strand (participates in β ladder)trans-96.6130.7163.3-177.864.9000108.3F4 C25 I37 M40 L47 Y59F4-L12 HydrophobicContact CB-CD1 4.27Å; L12-C25 HydrophobicContact CB-CB 3.89Å; L12-C25 HydrophobicContact CD2-CB 3.74Å; L12-C25 HydrophobicContact CG-CB 3.71Å; L12-C25 WeakPolarHBondContact O-CB 3.28Å; L12-C25 PolarHBondContact O-N 3.33Å; L12-I37 HydrophobicContact CB-CD1 3.87Å; L12-I37 HydrophobicContact CD1-CD1 4.22Å; L12-M40 HydrophobicContact CD1-SD 3.7Å; L12-L47 HydrophobicContact CD1-CD2 3.9Å; L12-L47 HydrophobicContact CD2-CD2 3.93Å; L12-Y59 HydrophobicContact CD2-CD1 3.75Å; L12-Y59 HydrophobicContact CD2-CD2 4.37Å; L12-Y59 HydrophobicContact CD2-CE1 4.23Å; L12-Y59 HydrophobicContact CD2-CG 3.82Å
13K86.1Confident84.3Confident3 Ų327.8 Ų27.81%0.01317%0.168CC..EExtended strand (participates in β ladder)trans-125.5147.3177.9-60.4-170.8-179.1171.60110.2F4 V5 T7 Y23 N24 S295 R296F4-K13 CarbonylContact C-O 3.46Å; F4-K13 VanDerWaalsContact CA-O 3.29Å; F4-K13 WeakPolarHBondContact CA-O 3.47Å; V5-K13 HydrophobicContact CB-CB 4.48Å; V5-K13 PolarHBondContact N-O 3.16Å; V5-K13 PolarHBondContact O-N 2.79Å; T7-K13 HydrophobicContact CG2-CD 4.41Å; K13-Y23 CarbonylContact C-O 3.54Å; K13-Y23 VanDerWaalsContact CA-O 3.31Å; K13-Y23 WeakPolarHBondContact CA-O 3.42Å; K13-N24 WeakPolarHBondContact CD-OD1 3.4Å; K13-N24 VanDerWaalsContact CE-OD1 3.27Å; K13-N24 WeakPolarHBondContact CE-OD1 3.29Å; K13-N24 WeakPolarHBondContact CG-OD1 3.42Å; K13-S295 PolarHBondContact NZ-OG 3.07Å; K13-R296 PolarHBondContact NZ-O 3.2Å
14R87.6Confident84.1Confident14 Ų1431 Ų315%0.05319%0.186CC..EExtended strand (participates in β ladder)trans-111.9124.5171.7-177.9-179.1158.1-155.5-21.1109.6D2 V3 F4 S22 Y23 I321D2-R14 HydrophobicContact CB-CG 4.42Å; D2-R14 VanDerWaalsContact CG-CZ 3.48Å; D2-R14 IonicContact OD1-CZ 3.7Å; D2-R14 IonicContact OD1-NE 3.47Å; D2-R14 PolarHBondContact OD1-NE 3.04Å; D2-R14 VanDerWaalsContact OD1-NE 3.09Å; D2-R14 IonicContact OD1-NH2 3.04Å; D2-R14 PolarHBondContact OD1-NH2 3.12Å; D2-R14 IonicContact OD2-CZ 2.7Å; D2-R14 VanDerWaalsContact OD2-CZ 3.29Å; D2-R14 IonicContact OD2-NE 3.92Å; D2-R14 PolarHBondContact OD2-NE 2.8Å; D2-R14 IonicContact OD2-NH2 3.77Å; D2-R14 PolarHBondContact OD2-NH2 3.08Å; V3-R14 CarbonylContact O-C 3.53Å; V3-R14 WeakPolarHBondContact O-CA 3.46Å; F4-R14 HydrophobicContact CD1-CB 4.14Å; F4-R14 HydrophobicContact CD1-CG 4.39Å; F4-R14 HydrophobicContact CE1-CB 3.92Å; F4-R14 HydrophobicContact CE1-CG 3.94Å; F4-R14 HydrophobicContact CE2-CG 4.4Å; F4-R14 HydrophobicContact CZ-CB 4.43Å; F4-R14 HydrophobicContact CZ-CG 3.94Å; R14-S22 CarbonylContact O-C 3.55Å; R14-S22 VanDerWaalsContact O-CA 3.24Å; R14-S22 WeakPolarHBondContact O-CA 3.22Å; R14-Y23 PolarHBondContact N-O 3.2Å; R14-Y23 PolarHBondContact O-N 3.42Å; R14-I321 PolarHBondContact NH1-O 2.77Å; R14-I321 PolarHBondContact NH2-O 2.77Å
15V87.2Confident83.6Confident4 Ų431.8 Ų31.82%0.02419%0.191CC..EExtended strand (participates in β ladder)trans-111.2117.2177.1-179.50000108.4D2 V3 V5 A293D2-V15 CarbonylContact C-O 3.54Å; D2-V15 WeakPolarHBondContact CA-O 3.5Å; V3-V15 PolarHBondContact N-O 3Å; V3-V15 PolarHBondContact O-N 3.35Å; V5-V15 HydrophobicContact CG2-CG2 3.85Å; V15-A293 HydrophobicContact CG1-CB 3.85Å
16S87Confident82.9Confident0 Ų034.3 Ų34.30%022%0.217CC..EExtended strand (participates in β ladder)trans-96.5118172.7173.10000109.5D2 A18 T19 S20 T21 H320D2-S16 WeakPolarHBondContact OD1-CA 3.28Å; D2-S16 WeakPolarHBondContact OD1-CB 3.47Å; S16-A18 VanDerWaalsContact C-N 3.31Å; S16-A18 PolarHBondContact OG-N 3.38Å; S16-T19 WeakPolarHBondContact CB-OG1 3.48Å; S16-T19 PolarHBondContact OG-N 2.8Å; S16-T19 PolarHBondContact OG-OG1 3.48Å; S16-S20 VanDerWaalsContact O-CA 3.22Å; S16-S20 WeakPolarHBondContact O-CA 3.32Å; S16-S20 PolarHBondContact O-N 2.77Å; S16-T21 PolarHBondContact N-O 3Å; S16-T21 PolarHBondContact O-N 2.86Å; S16-H320 PolarHBondContact OG-CD2 3.07Å; S16-H320 PolarHBondContact OG-NE2 3.3Å
17F83.4Confident82Confident11 Ų1140 Ų405%0.04825%0.247CC..THydrogen-bonded Turntrans-74.7-24172.1-71.9-69000112.7M1 V3 V271 V279 L281 H291 A293M1-F17 PolarHBondContact O-N 2.95Å; V3-F17 HydrophobicContact CB-CE2 4.39Å; V3-F17 HydrophobicContact CG2-CD2 4.09Å; V3-F17 HydrophobicContact CG2-CE2 3.64Å; F17-V271 HydrophobicContact CE2-CG1 4.37Å; F17-V271 HydrophobicContact CE2-CG2 4.28Å; F17-V279 HydrophobicContact CZ-CG1 3.9Å; F17-L281 HydrophobicContact CB-CD2 4.33Å; F17-L281 HydrophobicContact CD1-CB 4.26Å; F17-L281 HydrophobicContact CD1-CD2 4.38Å; F17-L281 HydrophobicContact CD2-CB 4.47Å; F17-L281 HydrophobicContact CD2-CD2 4.21Å; F17-L281 HydrophobicContact CE1-CB 3.91Å; F17-L281 HydrophobicContact CE2-CB 4.12Å; F17-L281 HydrophobicContact CG-CD2 4.06Å; F17-L281 HydrophobicContact CZ-CB 3.83Å; F17-H291 HydrophobicContact CD1-CB 3.57Å; F17-H291 HydrophobicContact CE1-CB 3.9Å; F17-A293 HydrophobicContact CE1-CB 4.25Å
18A82.8Confident81.1Confident70 Ų7043.2 Ų43.258%0.57926%0.263SS*.THydrogen-bonded Turntrans-69.5-40.6-179.800000111.7S16S16-A18 VanDerWaalsContact C-N 3.31Å; S16-A18 PolarHBondContact OG-N 3.38Å
19T81.9Confident80.2Confident68 Ų6846.9 Ų46.942%0.41729%0.285SS..THydrogen-bonded Turntrans-101.1-4.3179.451.40000112.7S16 T21S16-T19 WeakPolarHBondContact CB-OG1 3.48Å; S16-T19 PolarHBondContact OG-N 2.8Å; S16-T19 PolarHBondContact OG-OG1 3.48Å; T19-T21 WeakPolarHBondContact CB-OG1 3.35Å; T19-T21 WeakPolarHBondContact O-CG2 3.41Å; T19-T21 PolarHBondContact O-N 3.46Å; T19-T21 PolarHBondContact OG1-OG1 3.02Å
20S80.9Confident79.7Confident87 Ų8748.7 Ų48.761%0.60831%0.306SS*.THydrogen-bonded Turntrans51.536.2-173.1-63.50000112.9S16S16-S20 VanDerWaalsContact O-CA 3.22Å; S16-S20 WeakPolarHBondContact O-CA 3.32Å; S16-S20 PolarHBondContact O-N 2.77Å
21T81.7Confident79.2Confident49 Ų4949.7 Ų49.730%0.30131%0.313SS..EExtended strand (participates in β ladder)trans-117.7153.2-178.1530000111S16 T19 Y23S16-T21 PolarHBondContact N-O 3Å; S16-T21 PolarHBondContact O-N 2.86Å; T19-T21 WeakPolarHBondContact CB-OG1 3.35Å; T19-T21 WeakPolarHBondContact O-CG2 3.41Å; T19-T21 PolarHBondContact O-N 3.46Å; T19-T21 PolarHBondContact OG1-OG1 3.02Å; T21-Y23 WeakPolarHBondContact CB-OH 3.41Å; T21-Y23 WeakPolarHBondContact OG1-CE2 3.34Å; T21-Y23 VanDerWaalsContact OG1-CZ 3.27Å; T21-Y23 PolarHBondContact OG1-OH 2.98Å
22S83.2Confident78.8Confident53 Ų5354.3 Ų54.337%0.37133%0.334SS..EExtended strand (participates in β ladder)trans-124.9139.4173.961.80000110.7R14R14-S22 CarbonylContact O-C 3.55Å; R14-S22 VanDerWaalsContact O-CA 3.24Å; R14-S22 WeakPolarHBondContact O-CA 3.22Å
23Y82.9Confident78.4Confident93 Ų9360.6 Ų60.637%0.36536%0.357SS..EExtended strand (participates in β ladder)trans-127.9144.7-179.8-51.3-86.5000109.8K13 R14 T21 A323K13-Y23 CarbonylContact C-O 3.54Å; K13-Y23 VanDerWaalsContact CA-O 3.31Å; K13-Y23 WeakPolarHBondContact CA-O 3.42Å; R14-Y23 PolarHBondContact N-O 3.2Å; R14-Y23 PolarHBondContact O-N 3.42Å; T21-Y23 WeakPolarHBondContact CB-OH 3.41Å; T21-Y23 WeakPolarHBondContact OG1-CE2 3.34Å; T21-Y23 VanDerWaalsContact OG1-CZ 3.27Å; T21-Y23 PolarHBondContact OG1-OH 2.98Å; Y23-A323 HydrophobicContact CE1-CB 4.49Å
24N84.2Confident78.2Confident68 Ų6863.8 Ų63.836%0.36438%0.379SS..EExtended strand (participates in β ladder)trans-86.1132.9171.3-65-29.5000109.4K13 G26 I28K13-N24 WeakPolarHBondContact CD-OD1 3.4Å; K13-N24 VanDerWaalsContact CE-OD1 3.27Å; K13-N24 WeakPolarHBondContact CE-OD1 3.29Å; K13-N24 WeakPolarHBondContact CG-OD1 3.42Å; N24-G26 PolarHBondContact O-N 2.8Å; N24-I28 HydrophobicContact CB-CG1 4.3Å; N24-I28 WeakPolarHBondContact ND2-CD1 3.41Å; N24-I28 WeakPolarHBondContact ND2-CG1 3.28Å
25C79.8Confident78Confident17 Ų1766.3 Ų66.312%0.11539%0.392CS..SBendtrans-96.873.4179.1-69.30000108.9L12 Y59L12-C25 HydrophobicContact CB-CB 3.89Å; L12-C25 HydrophobicContact CD2-CB 3.74Å; L12-C25 HydrophobicContact CG-CB 3.71Å; L12-C25 WeakPolarHBondContact O-CB 3.28Å; L12-C25 PolarHBondContact O-N 3.33Å; C25-Y59 HydrophobicContact CB-CE1 3.86Å; C25-Y59 HydrophobicContact CB-CE2 3.87Å; C25-Y59 VanDerWaalsContact CB-CZ 3.45Å; C25-Y59 WeakPolarHBondContact CB-OH 3.23Å; C25-Y59 PolarHBondContact SG-OH 3.23Å; C25-Y59 VanDerWaalsContact SG-OH 3.37Å
26G75.7Confident78Confident52 Ų5270.3 Ų70.354%0.53641%0.406SS..SBendtrans134.2178.3-179.100000113N24N24-G26 PolarHBondContact O-N 2.8Å
27D67.9Low78.1Confident121 Ų12171 Ų7165%0.64741%0.41SS*.  trans-73.5133.1176.8-166.4-1.8000110.7D29D27-D29 PolarHBondContact OD1-N 2.9Å
28I65Low78.5Confident71 Ų7170.8 Ų70.836%0.36441%0.409SS..SBendtrans-78.4-36.9-177.3-55.5168.1000109.8N24 G30 A31N24-I28 HydrophobicContact CB-CG1 4.3Å; N24-I28 WeakPolarHBondContact ND2-CD1 3.41Å; N24-I28 WeakPolarHBondContact ND2-CG1 3.28Å; I28-G30 VanDerWaalsContact C-N 3.3Å; I28-G30 PolarHBondContact O-N 2.82Å; I28-A31 WeakPolarHBondContact O-CB 3.49Å; I28-A31 PolarHBondContact O-N 3.34Å
29D60Low78.9Confident153 Ų15369.5 Ų69.582%0.81839%0.39SS*.THydrogen-bonded Turntrans-76.6-20.9-171.5-67-28.8000112.2D27D27-D29 PolarHBondContact OD1-N 2.9Å
30G65.3Low79.5Confident48 Ų4866.8 Ų66.850%0.49537%0.372SS..THydrogen-bonded Turntrans-86.3-2.3175.600000115.3I28 Q32I28-G30 VanDerWaalsContact C-N 3.3Å; I28-G30 PolarHBondContact O-N 2.82Å; G30-Q32 PolarHBondContact O-N 2.69Å
31A69.5Low80Confident40 Ų4063.8 Ų63.833%0.33135%0.351SS..  trans-71.8122.6-173.300000112.2L11 I28L11-A31 HydrophobicContact CD2-CB 3.52Å; L11-A31 HydrophobicContact CG-CB 3.94Å; I28-A31 WeakPolarHBondContact O-CB 3.49Å; I28-A31 PolarHBondContact O-N 3.34Å
32Q77.2Confident80.4Confident107 Ų10762.7 Ų62.750%0.534%0.341SS..  trans-118.3134.8178.6-62.5-174.32.800111.1S9 G30 S34 Q35S9-Q32 CarbonylContact O-C 3.54Å; G30-Q32 PolarHBondContact O-N 2.69Å; Q32-S34 PolarHBondContact O-N 3.46Å; Q32-S34 PolarHBondContact OE1-OG 3.22Å; Q32-Q35 HydrophobicContact CB-CG 4.47Å; Q32-Q35 CarbonylContact O-C 3.49Å; Q32-Q35 WeakPolarHBondContact O-CA 3.28Å; Q32-Q35 PolarHBondContact O-N 3.4Å
33R77.2Confident80.8Confident143 Ų14361.4 Ų61.454%0.5433%0.33SS..G310 helixtrans-58.1-31.2175.5-81.6-179.1165.9161.6-4113.5Q35 R36R33-Q35 PolarHBondContact O-N 3.42Å; R33-R36 WeakPolarHBondContact O-CB 3.25Å; R33-R36 WeakPolarHBondContact O-CG 3.29Å; R33-R36 PolarHBondContact O-N 2.85Å
34S81.4Confident80.9Confident70 Ų7061.6 Ų61.649%0.4934%0.337SS..G310 helixtrans-62.8-25.3174.249.90000112.7Q32 D53Q32-S34 PolarHBondContact O-N 3.46Å; Q32-S34 PolarHBondContact OE1-OG 3.22Å; S34-D53 PolarHBondContact O-N 2.91Å
35Q83.4Confident80.8Confident67 Ų6762.5 Ų62.531%0.31334%0.339SS..G310 helixtrans-106.425.4179.8-59-172.2800111.8Q32 R33 I37 L51 R68Q32-Q35 HydrophobicContact CB-CG 4.47Å; Q32-Q35 CarbonylContact O-C 3.49Å; Q32-Q35 WeakPolarHBondContact O-CA 3.28Å; Q32-Q35 PolarHBondContact O-N 3.4Å; R33-Q35 PolarHBondContact O-N 3.42Å; Q35-I37 PolarHBondContact O-N 3.2Å; Q35-L51 HydrophobicContact CB-CD1 4.37Å; Q35-R68 VanDerWaalsContact NE2-NH2 3.16Å; Q35-R68 VanDerWaalsContact OE1-NH2 3.09Å
36R86.8Confident81.3Confident89 Ų8964.6 Ų64.634%0.33635%0.347SS..  trans-62.6141.4179.971.9-179.3-175.9117.51111.4E8 R33 V38 L51 A52E8-R36 WeakPolarHBondContact O-CB 3.34Å; R33-R36 WeakPolarHBondContact O-CB 3.25Å; R33-R36 WeakPolarHBondContact O-CG 3.29Å; R33-R36 PolarHBondContact O-N 2.85Å; R36-V38 HydrophobicContact CG-CG1 4.28Å; R36-V38 PolarHBondContact O-N 2.92Å; R36-L51 CarbonylContact O-C 3.52Å; R36-L51 WeakPolarHBondContact O-CA 3.46Å; R36-A52 HydrophobicContact CG-CB 3.71Å; R36-A52 PolarHBondContact O-N 2.85Å
37I90.1Very high82.1Confident14 Ų1462.1 Ų62.17%0.07232%0.322CS..EExtended strand (participates in β ladder)trans-72.9117.6177.7-56.9167.8000108.9L12 Q35 R39 M40 C49 A50 L51 L311L12-I37 HydrophobicContact CB-CD1 3.87Å; L12-I37 HydrophobicContact CD1-CD1 4.22Å; Q35-I37 PolarHBondContact O-N 3.2Å; I37-R39 WeakPolarHBondContact CG2-O 3.36Å; I37-M40 HydrophobicContact CG2-CG 3.45Å; I37-M40 VanDerWaalsContact CG2-CG 3.45Å; I37-M40 HydrophobicContact CG2-SD 4.08Å; I37-C49 HydrophobicContact CD1-CB 4.37Å; I37-C49 HydrophobicContact CG1-CB 4.27Å; I37-C49 HydrophobicContact CG2-CB 3.96Å; I37-A50 CarbonylContact C-O 3.54Å; I37-L51 HydrophobicContact CB-CD2 4.42Å; I37-L51 HydrophobicContact CG1-CD2 3.7Å; I37-L311 HydrophobicContact CG2-CD1 4.03Å; I37-L311 WeakPolarHBondContact O-CD1 3.12Å
38V90.8Very high83.3Confident6 Ų656.4 Ų56.44%0.03629%0.291CS..EExtended strand (participates in β ladder)trans-99.4-27-178.7-64.50000113.2R36 A50 A52 L79 V80 L311R36-V38 HydrophobicContact CG-CG1 4.28Å; R36-V38 PolarHBondContact O-N 2.92Å; V38-A50 HydrophobicContact CG2-CB 4.18Å; V38-A50 VanDerWaalsContact CG2-O 3.28Å; V38-A50 WeakPolarHBondContact CG2-O 3.44Å; V38-A50 PolarHBondContact N-O 2.82Å; V38-A52 HydrophobicContact CG1-CB 3.82Å; V38-L79 HydrophobicContact CG1-CD1 4.48Å; V38-L79 HydrophobicContact CG1-CD2 4.36Å; V38-V80 HydrophobicContact CG2-CB 4.09Å; V38-L311 VanDerWaalsContact O-CD1 3.27Å; V38-L311 WeakPolarHBondContact O-CD1 3.46Å
39R92.7Very high84.6Confident44 Ų4453.1 Ų53.117%0.16628%0.275CS..EExtended strand (participates in β ladder)trans-146.3153.7171.2-67.1-64.5-179.4-95.8-0.3111.2I37 C49 A50 V80 K81 I83 N120I37-R39 WeakPolarHBondContact CG2-O 3.36Å; R39-C49 WeakPolarHBondContact O-CA 3.32Å; R39-A50 HydrophobicContact CB-CB 4.14Å; R39-A50 PolarHBondContact N-O 3.45Å; R39-A50 PolarHBondContact O-N 3.47Å; R39-V80 HydrophobicContact CG-CG1 4.47Å; R39-V80 WeakPolarHBondContact CG-O 3.24Å; R39-K81 VanDerWaalsContact NE-C 3.33Å; R39-K81 PolarHBondContact NE-O 2.84Å; R39-K81 PolarHBondContact NH2-O 3.14Å; R39-I83 HydrophobicContact CB-CB 4.38Å; R39-I83 HydrophobicContact CB-CG2 3.72Å; R39-N120 PolarHBondContact NH2-O 2.88Å; R39-N120 VanDerWaalsContact NH2-O 3.07Å
40M93.4Very high86.1Confident11 Ų1145.9 Ų45.95%0.05424%0.236CC..EExtended strand (participates in β ladder)trans-137.9145.5176.4-61.2-174.3-68.400110.8L12 I37 L47 L48 L311 Q313L12-M40 HydrophobicContact CD1-SD 3.7Å; I37-M40 HydrophobicContact CG2-CG 3.45Å; I37-M40 VanDerWaalsContact CG2-CG 3.45Å; I37-M40 HydrophobicContact CG2-SD 4.08Å; M40-L47 HydrophobicContact CB-CD1 4.23Å; M40-L47 HydrophobicContact SD-CD2 4.03Å; M40-L48 CarbonylContact C-O 3.38Å; M40-L48 WeakPolarHBondContact CA-O 3.27Å; M40-L311 HydrophobicContact CE-CB 3.5Å; M40-L311 VanDerWaalsContact CE-CB 3.5Å; M40-L311 HydrophobicContact CE-CD1 4.44Å; M40-L311 HydrophobicContact CG-CD1 4.23Å; M40-Q313 HydrophobicContact CB-CG 3.73Å; M40-Q313 HydrophobicContact CE-CG 4.28Å; M40-Q313 PolarHBondContact O-NE2 2.9Å
41C92.4Very high87.4Confident23 Ų2344.2 Ų44.216%0.15522%0.215CC..EExtended strand (participates in β ladder)trans-151.9155.2172.1-174.70000109.7L48 I83C41-L48 PolarHBondContact N-O 3.31Å; C41-L48 WeakPolarHBondContact O-CA 3.17Å; C41-L48 WeakPolarHBondContact O-CB 3.33Å; C41-L48 PolarHBondContact O-N 3.27Å; C41-I83 HydrophobicContact CB-CG2 3.72Å; C41-I83 WeakPolarHBondContact CB-O 3.33Å
42W90.5Very high88.3Confident27 Ų2743.4 Ų43.410%0.10221%0.209CC..EExtended strand (participates in β ladder)trans-87.7142175.6-71.899.6000111.6F4 L47 V61 T85 V314 P316F4-W42 HydrophobicContact CD2-CH2 4.01Å; F4-W42 AromaticContact CD2-CZ2 3.57Å; F4-W42 HydrophobicContact CD2-CZ2 3.57Å; F4-W42 AromaticContact CE2-CH2 3.58Å; F4-W42 HydrophobicContact CE2-CH2 3.58Å; F4-W42 AromaticContact CE2-CZ2 3.57Å; F4-W42 HydrophobicContact CE2-CZ2 3.57Å; F4-W42 HydrophobicContact CG-CZ2 4.44Å; F4-W42 HydrophobicContact CZ-CH2 4.06Å; F4-W42 HydrophobicContact CZ-CZ2 4.45Å; W42-L47 HydrophobicContact CD2-CD1 3.96Å; W42-L47 HydrophobicContact CE3-CB 4.29Å; W42-L47 HydrophobicContact CE3-CD1 4.46Å; W42-L47 HydrophobicContact CG-CD1 4.28Å; W42-L47 HydrophobicContact CZ2-CD1 4.31Å; W42-L47 HydrophobicContact CZ3-CB 4.23Å; W42-V61 HydrophobicContact CH2-CG2 3.72Å; W42-V61 HydrophobicContact CZ3-CG2 3.76Å; W42-T85 WeakPolarHBondContact O-CG2 3.43Å; W42-T85 PolarHBondContact O-OG1 3.24Å; W42-V314 PolarHBondContact NE1-O 3.26Å; W42-P316 HydrophobicContact CD2-CG 4.07Å; W42-P316 VanDerWaalsContact CE2-CD 3.48Å; W42-P316 HydrophobicContact CE3-CG 4.18Å; W42-P316 HydrophobicContact CG-CG 4.27Å
43M89.7Confident88.8Confident25 Ų2540.2 Ų40.212%0.12320%0.195CC..EExtended strand (participates in β ladder)trans-125.595.3166.3-168.7176.173.400106.5E45 E46 L48 T85M43-E45 PolarHBondContact O-N 3.35Å; M43-E45 VanDerWaalsContact O-N 3.1Å; M43-E46 PolarHBondContact N-O 3.02Å; M43-E46 PolarHBondContact O-N 2.85Å; M43-L48 HydrophobicContact CB-CD1 3.93Å; M43-L48 HydrophobicContact CB-CG 3.95Å; M43-L48 HydrophobicContact CE-CD2 4.33Å; M43-L48 HydrophobicContact SD-CD1 4.15Å; M43-L48 HydrophobicContact SD-CD2 4.49Å; M43-T85 HydrophobicContact CB-CG2 3.77Å; M43-T85 HydrophobicContact CG-CG2 3.91Å; M43-T85 HydrophobicContact SD-CG2 4.43Å
44D85.2Confident89.4Confident98 Ų9833.6 Ų33.652%0.52417%0.171SC..THydrogen-bonded Turntrans51.8-111.2-167.3-66.2-37.2000113N88D44-N88 PolarHBondContact OD1-ND2 3.31Å; D44-N88 PolarHBondContact OD2-ND2 3Å; D44-N88 VanDerWaalsContact OD2-ND2 3.14Å
45E83.7Confident89.9Confident86 Ų8633.3 Ų33.340%0.40216%0.161SC..THydrogen-bonded Turntrans-96.9-1.9-179.9-64.5-69.8161.500112.8M43M43-E45 PolarHBondContact O-N 3.35Å; M43-E45 VanDerWaalsContact O-N 3.1Å
46E89.3Confident90.3Very high62 Ų6230.1 Ų30.129%0.2915%0.146SC..EExtended strand (participates in β ladder)trans-96.1138174.9-62.6-166.3171.900111.2M43 S58 D60M43-E46 PolarHBondContact N-O 3.02Å; M43-E46 PolarHBondContact O-N 2.85Å; E46-S58 WeakPolarHBondContact OE2-CB 3.42Å; E46-S58 PolarHBondContact OE2-OG 3.19Å; E46-D60 HydrophobicContact CG-CB 4.35Å
47L91.8Very high90.6Very high0 Ų026.3 Ų26.30%013%0.133CC..EExtended strand (participates in β ladder)trans-95.1109.2172-175.366.9000109.5F4 L12 M40 W42 Y59 Q313F4-L47 HydrophobicContact CB-CD2 3.85Å; F4-L47 HydrophobicContact CD1-CD2 4Å; F4-L47 HydrophobicContact CG-CD2 3.96Å; L12-L47 HydrophobicContact CD1-CD2 3.9Å; L12-L47 HydrophobicContact CD2-CD2 3.93Å; M40-L47 HydrophobicContact CB-CD1 4.23Å; M40-L47 HydrophobicContact SD-CD2 4.03Å; W42-L47 HydrophobicContact CD2-CD1 3.96Å; W42-L47 HydrophobicContact CE3-CB 4.29Å; W42-L47 HydrophobicContact CE3-CD1 4.46Å; W42-L47 HydrophobicContact CG-CD1 4.28Å; W42-L47 HydrophobicContact CZ2-CD1 4.31Å; W42-L47 HydrophobicContact CZ3-CB 4.23Å; L47-Y59 PolarHBondContact N-O 2.73Å; L47-Y59 PolarHBondContact O-N 2.83Å; L47-Q313 HydrophobicContact CD1-CB 4.21Å; L47-Q313 HydrophobicContact CD1-CG 4.18Å
48L93.1Very high90.7Very high0 Ų025.8 Ų25.80%013%0.131CC..EExtended strand (participates in β ladder)trans-74.6133.2170.6-61.2179000110.2M40 C41 M43 T57 L69 I83 T85 I91M40-L48 CarbonylContact C-O 3.38Å; M40-L48 WeakPolarHBondContact CA-O 3.27Å; C41-L48 PolarHBondContact N-O 3.31Å; C41-L48 WeakPolarHBondContact O-CA 3.17Å; C41-L48 WeakPolarHBondContact O-CB 3.33Å; C41-L48 PolarHBondContact O-N 3.27Å; M43-L48 HydrophobicContact CB-CD1 3.93Å; M43-L48 HydrophobicContact CB-CG 3.95Å; M43-L48 HydrophobicContact CE-CD2 4.33Å; M43-L48 HydrophobicContact SD-CD1 4.15Å; M43-L48 HydrophobicContact SD-CD2 4.49Å; L48-T57 CarbonylContact C-O 3.54Å; L48-T57 WeakPolarHBondContact CA-O 3.5Å; L48-L69 HydrophobicContact CD2-CD1 3.82Å; L48-I83 HydrophobicContact CB-CD1 3.86Å; L48-I83 HydrophobicContact CD1-CD1 4.41Å; L48-T85 HydrophobicContact CD1-CG2 3.58Å; L48-I91 HydrophobicContact CD1-CD1 3.99Å; L48-I91 HydrophobicContact CD1-CG1 3.91Å; L48-I91 HydrophobicContact CD1-CG2 4.47Å; L48-I91 HydrophobicContact CD2-CD1 4.33Å
49C92.9Very high90.7Very high3 Ų326.7 Ų26.72%0.0213%0.133CC..EExtended strand (participates in β ladder)trans-125.3121.5178.2-630000109.1I37 R39 L51 T57I37-C49 HydrophobicContact CD1-CB 4.37Å; I37-C49 HydrophobicContact CG1-CB 4.27Å; I37-C49 HydrophobicContact CG2-CB 3.96Å; R39-C49 WeakPolarHBondContact O-CA 3.32Å; C49-L51 HydrophobicContact CB-CD2 4.44Å; C49-T57 PolarHBondContact N-O 2.83Å; C49-T57 PolarHBondContact O-N 2.65Å; C49-T57 PolarHBondContact O-OG1 3.5Å
50A92.6Very high90.4Very high0 Ų026.6 Ų26.60%014%0.136CC..EExtended strand (participates in β ladder)trans-88.5127.8166.700000108.8I37 V38 R39 I56 V80 I83I37-A50 CarbonylContact C-O 3.54Å; V38-A50 HydrophobicContact CG2-CB 4.18Å; V38-A50 VanDerWaalsContact CG2-O 3.28Å; V38-A50 WeakPolarHBondContact CG2-O 3.44Å; V38-A50 PolarHBondContact N-O 2.82Å; R39-A50 HydrophobicContact CB-CB 4.14Å; R39-A50 PolarHBondContact N-O 3.45Å; R39-A50 PolarHBondContact O-N 3.47Å; A50-I56 HydrophobicContact CB-CD1 3.64Å; A50-V80 HydrophobicContact CB-CB 3.84Å; A50-V80 HydrophobicContact CB-CG1 3.71Å; A50-V80 HydrophobicContact CB-CG2 4.17Å; A50-I83 HydrophobicContact CB-CD1 4.38Å
51L91.7Very high89.9Confident13 Ų1326.7 Ų26.77%0.06814%0.138CC..EExtended strand (participates in β ladder)trans-97.5159.1-178.8-54.5-172.9000111.3Q35 R36 I37 C49 D53 G54 F55 T57Q35-L51 HydrophobicContact CB-CD1 4.37Å; R36-L51 CarbonylContact O-C 3.52Å; R36-L51 WeakPolarHBondContact O-CA 3.46Å; I37-L51 HydrophobicContact CB-CD2 4.42Å; I37-L51 HydrophobicContact CG1-CD2 3.7Å; C49-L51 HydrophobicContact CB-CD2 4.44Å; L51-D53 WeakPolarHBondContact CB-OD1 3.42Å; L51-D53 PolarHBondContact O-N 3.19Å; L51-G54 PolarHBondContact O-N 3.2Å; L51-G54 VanDerWaalsContact O-N 3.11Å; L51-F55 HydrophobicContact CD1-CB 4.37Å; L51-F55 PolarHBondContact N-O 3.39Å; L51-T57 HydrophobicContact CD1-CG2 3.68Å; L51-T57 HydrophobicContact CG-CG2 4.11Å
52A89.4Confident89.4Confident23 Ų2328.8 Ų28.819%0.1915%0.151CC..THydrogen-bonded Turntrans-67.6-19.6178.200000113.9R36 V38 G54 L79R36-A52 HydrophobicContact CG-CB 3.71Å; R36-A52 PolarHBondContact O-N 2.85Å; V38-A52 HydrophobicContact CG1-CB 3.82Å; A52-G54 PolarHBondContact O-N 2.82Å; A52-L79 HydrophobicContact CB-CD2 4.03Å
53D87.4Confident89Confident41 Ų4129.4 Ų29.422%0.21916%0.159CC..THydrogen-bonded Turntrans-80.21.8172.768.1-4.1000113S34 L51 F55 R68S34-D53 PolarHBondContact O-N 2.91Å; L51-D53 WeakPolarHBondContact CB-OD1 3.42Å; L51-D53 PolarHBondContact O-N 3.19Å; D53-F55 WeakPolarHBondContact OD1-CB 3.49Å; D53-F55 PolarHBondContact OD1-N 3.27Å; D53-F55 VanDerWaalsContact OD1-N 3.11Å; D53-R68 IonicContact OD2-CZ 2.75Å; D53-R68 IonicContact OD2-NH1 3.66Å; D53-R68 PolarHBondContact OD2-NH1 3.11Å; D53-R68 IonicContact OD2-NH2 3.8Å; D53-R68 PolarHBondContact OD2-NH2 3.34Å
54G88.9Confident88.6Confident3 Ų330 Ų303%0.03117%0.172CC..SBendtrans88-3.117900000114.6L51 A52 V72L51-G54 PolarHBondContact O-N 3.2Å; L51-G54 VanDerWaalsContact O-N 3.11Å; A52-G54 PolarHBondContact O-N 2.82Å; G54-V72 PolarHBondContact O-N 2.82Å
55F91.7Very high88.6Confident65 Ų6534.6 Ų34.629%0.28518%0.182SC..EExtended strand (participates in β ladder)trans-76.9142.6175.9-82.3-95.1000112.5L51 D53 R68 A71L51-F55 HydrophobicContact CD1-CB 4.37Å; L51-F55 PolarHBondContact N-O 3.39Å; D53-F55 WeakPolarHBondContact OD1-CB 3.49Å; D53-F55 PolarHBondContact OD1-N 3.27Å; D53-F55 VanDerWaalsContact OD1-N 3.11Å; F55-R68 VanDerWaalsContact CD2-NH1 3.29Å; F55-A71 HydrophobicContact CD1-CB 4.04Å; F55-A71 HydrophobicContact CD2-CB 4.21Å; F55-A71 HydrophobicContact CE1-CB 3.82Å; F55-A71 HydrophobicContact CE2-CB 3.99Å; F55-A71 HydrophobicContact CG-CB 4.25Å; F55-A71 HydrophobicContact CZ-CB 3.8Å
56I92.7Very high88.7Confident0 Ų034.8 Ų34.80%019%0.192CC..EExtended strand (participates in β ladder)trans-98.1128165.1-50.7-54.2000108.3A50 L69 F70 V72 I83 T93A50-I56 HydrophobicContact CB-CD1 3.64Å; I56-L69 HydrophobicContact CG2-CD1 4.3Å; I56-L69 PolarHBondContact O-N 3.47Å; I56-F70 HydrophobicContact CG1-CE2 4.09Å; I56-F70 HydrophobicContact CG1-CZ 4.15Å; I56-F70 PolarHBondContact N-O 2.76Å; I56-V72 HydrophobicContact CD1-CG2 4Å; I56-V72 HydrophobicContact CG1-CG2 3.93Å; I56-I83 HydrophobicContact CD1-CD1 4.15Å; I56-I83 HydrophobicContact CG2-CD1 3.92Å; I56-T93 HydrophobicContact CD1-CG2 4.06Å; I56-T93 HydrophobicContact CG1-CG2 4.33Å
57T92.6Very high88.7Confident9 Ų940.1 Ų40.16%0.05521%0.209CC..EExtended strand (participates in β ladder)trans-121.8149.3176.767.40000110.5L48 C49 L51 R67 R68L48-T57 CarbonylContact C-O 3.54Å; L48-T57 WeakPolarHBondContact CA-O 3.5Å; C49-T57 PolarHBondContact N-O 2.83Å; C49-T57 PolarHBondContact O-N 2.65Å; C49-T57 PolarHBondContact O-OG1 3.5Å; L51-T57 HydrophobicContact CD1-CG2 3.68Å; L51-T57 HydrophobicContact CG-CG2 4.11Å; T57-R67 CarbonylContact C-O 3.58Å; T57-R67 WeakPolarHBondContact CA-O 3.48Å; T57-R67 WeakPolarHBondContact CB-O 3.5Å; T57-R68 HydrophobicContact CG2-CB 4.39Å; T57-R68 HydrophobicContact CG2-CG 3.79Å
58S92Very high88.6Confident3 Ų345 Ų452%0.02123%0.228CC..EExtended strand (participates in β ladder)trans-108.6138.9168.676.60000110.3E46 C66 R67E46-S58 WeakPolarHBondContact OE2-CB 3.42Å; E46-S58 PolarHBondContact OE2-OG 3.19Å; S58-C66 CarbonylContact O-C 3.5Å; S58-C66 VanDerWaalsContact O-CA 3.32Å; S58-C66 WeakPolarHBondContact O-CA 3.15Å; S58-R67 PolarHBondContact N-O 3.23Å; S58-R67 PolarHBondContact O-N 3.44Å
59Y90.2Very high88.6Confident24 Ų2446.8 Ų46.89%0.09424%0.237CC..EExtended strand (participates in β ladder)trans-116.2110.5173.2177.6-101.4000109F4 L12 C25 L47 V61 R65 C66F4-Y59 HydrophobicContact CE1-CE1 4.27Å; L12-Y59 HydrophobicContact CD2-CD1 3.75Å; L12-Y59 HydrophobicContact CD2-CD2 4.37Å; L12-Y59 HydrophobicContact CD2-CE1 4.23Å; L12-Y59 HydrophobicContact CD2-CG 3.82Å; C25-Y59 HydrophobicContact CB-CE1 3.86Å; C25-Y59 HydrophobicContact CB-CE2 3.87Å; C25-Y59 VanDerWaalsContact CB-CZ 3.45Å; C25-Y59 WeakPolarHBondContact CB-OH 3.23Å; C25-Y59 PolarHBondContact SG-OH 3.23Å; C25-Y59 VanDerWaalsContact SG-OH 3.37Å; L47-Y59 PolarHBondContact N-O 2.73Å; L47-Y59 PolarHBondContact O-N 2.83Å; Y59-V61 HydrophobicContact CD1-CG2 3.87Å; Y59-V61 HydrophobicContact CE1-CB 4.43Å; Y59-V61 HydrophobicContact CE1-CG2 3.94Å; Y59-V61 PolarHBondContact O-N 2.9Å; Y59-R65 WeakPolarHBondContact CA-O 3.23Å; Y59-C66 HydrophobicContact CD2-CB 4.4Å
60D88.1Confident88.6Confident43 Ų4347.5 Ų47.523%0.2324%0.24CC..EExtended strand (participates in β ladder)trans-81.1111.6176.9177.836.3000109.6E46 P62 S63 G64 R65E46-D60 HydrophobicContact CG-CB 4.35Å; D60-P62 VanDerWaalsContact OD1-CD 3.24Å; D60-P62 WeakPolarHBondContact OD1-CD 3.48Å; D60-S63 WeakPolarHBondContact CB-OG 3.48Å; D60-S63 WeakPolarHBondContact OD2-CB 3.21Å; D60-S63 PolarHBondContact OD2-N 2.9Å; D60-S63 PolarHBondContact OD2-OG 2.8Å; D60-G64 VanDerWaalsContact O-CA 3.3Å; D60-G64 WeakPolarHBondContact O-CA 3.1Å; D60-G64 PolarHBondContact O-N 3.27Å; D60-R65 PolarHBondContact N-O 2.96Å
61V83.2Confident88.6Confident13 Ų1349.8 Ų49.88%0.07926%0.259CS..THydrogen-bonded Turntrans-67.9-44.2-169.2177.30000113.1F4 W42 Y59 I321F4-V61 HydrophobicContact CE1-CG1 4.25Å; F4-V61 HydrophobicContact CE1-CG2 3.98Å; F4-V61 HydrophobicContact CZ-CB 4.38Å; F4-V61 HydrophobicContact CZ-CG1 3.66Å; F4-V61 HydrophobicContact CZ-CG2 3.75Å; W42-V61 HydrophobicContact CH2-CG2 3.72Å; W42-V61 HydrophobicContact CZ3-CG2 3.76Å; Y59-V61 HydrophobicContact CD1-CG2 3.87Å; Y59-V61 HydrophobicContact CE1-CB 4.43Å; Y59-V61 HydrophobicContact CE1-CG2 3.94Å; Y59-V61 PolarHBondContact O-N 2.9Å; V61-I321 HydrophobicContact CG1-CD1 3.73Å; V61-I321 HydrophobicContact CG1-CG2 4.13Å
62P80.7Confident88.5Confident67 Ų6749.5 Ų49.544%0.43526%0.257SS..THydrogen-bonded Turntrans-65.1-36.2177.6-24.436.3000114.3D60 R324D60-P62 VanDerWaalsContact OD1-CD 3.24Å; D60-P62 WeakPolarHBondContact OD1-CD 3.48Å; P62-R324 PolarHBondContact O-NE 3.45Å
63S82.2Confident87.9Confident39 Ų3952.3 Ų52.327%0.27327%0.274SS..THydrogen-bonded Turntrans-90-21.1179.776.10000113.8D60 R65D60-S63 WeakPolarHBondContact CB-OG 3.48Å; D60-S63 WeakPolarHBondContact OD2-CB 3.21Å; D60-S63 PolarHBondContact OD2-N 2.9Å; D60-S63 PolarHBondContact OD2-OG 2.8Å; S63-R65 PolarHBondContact O-N 2.85Å; S63-R65 WeakPolarHBondContact OG-CB 3.27Å; S63-R65 WeakPolarHBondContact OG-CG 3.43Å; S63-R65 PolarHBondContact OG-N 2.78Å
64G82.1Confident86.8Confident39 Ų3953.3 Ų53.340%0.40228%0.279SS..THydrogen-bonded Turntrans69.914.5-172.800000113.7D60D60-G64 VanDerWaalsContact O-CA 3.3Å; D60-G64 WeakPolarHBondContact O-CA 3.1Å; D60-G64 PolarHBondContact O-N 3.27Å
65R84.4Confident85.4Confident193 Ų19353.5 Ų53.573%0.72828%0.281SS*.EExtended strand (participates in β ladder)trans-85.2140.5-180-68.5-179.5173.9-175.3-1.7110.6Y59 D60 S63Y59-R65 WeakPolarHBondContact CA-O 3.23Å; D60-R65 PolarHBondContact N-O 2.96Å; S63-R65 PolarHBondContact O-N 2.85Å; S63-R65 WeakPolarHBondContact OG-CB 3.27Å; S63-R65 WeakPolarHBondContact OG-CG 3.43Å; S63-R65 PolarHBondContact OG-N 2.78Å
66C86.5Confident83.8Confident90 Ų9058.3 Ų58.361%0.60830%0.304SS*.EExtended strand (participates in β ladder)trans-110.7136171.9-175.30000109.2S58 Y59S58-C66 CarbonylContact O-C 3.5Å; S58-C66 VanDerWaalsContact O-CA 3.32Å; S58-C66 WeakPolarHBondContact O-CA 3.15Å; Y59-C66 HydrophobicContact CD2-CB 4.4Å
67R89.4Confident82.7Confident174 Ų17464 Ų6466%0.65734%0.335SS*.EExtended strand (participates in β ladder)trans-128.6130.5177.3-178.8179.3175.7-173.4-1.8109.7T57 S58 L69T57-R67 CarbonylContact C-O 3.58Å; T57-R67 WeakPolarHBondContact CA-O 3.48Å; T57-R67 WeakPolarHBondContact CB-O 3.5Å; S58-R67 PolarHBondContact N-O 3.23Å; S58-R67 PolarHBondContact O-N 3.44Å; R67-L69 HydrophobicContact CG-CD2 4.28Å
68R89.9Confident82.3Confident102 Ų10264.2 Ų64.239%0.38534%0.339SS..EExtended strand (participates in β ladder)trans-76.3127.6165.1-67.9-167.3165.3-142.9-8.3108.7Q35 D53 F55 T57Q35-R68 VanDerWaalsContact NE2-NH2 3.16Å; Q35-R68 VanDerWaalsContact OE1-NH2 3.09Å; D53-R68 IonicContact OD2-CZ 2.75Å; D53-R68 IonicContact OD2-NH1 3.66Å; D53-R68 PolarHBondContact OD2-NH1 3.11Å; D53-R68 IonicContact OD2-NH2 3.8Å; D53-R68 PolarHBondContact OD2-NH2 3.34Å; F55-R68 VanDerWaalsContact CD2-NH1 3.29Å; T57-R68 HydrophobicContact CG2-CB 4.39Å; T57-R68 HydrophobicContact CG2-CG 3.79Å
69L91.6Very high82.2Confident38 Ų3866.6 Ų66.620%0.19935%0.351CS..EExtended strand (participates in β ladder)trans-90.4-68.9179.9-60.3-179.3000110L48 I56 R67 I91L48-L69 HydrophobicContact CD2-CD1 3.82Å; I56-L69 HydrophobicContact CG2-CD1 4.3Å; I56-L69 PolarHBondContact O-N 3.47Å; R67-L69 HydrophobicContact CG-CD2 4.28Å; L69-I91 HydrophobicContact CD1-CD1 3.71Å
70F93.7Very high82.4Confident19 Ų1965.6 Ų65.68%0.08335%0.347CS..EExtended strand (participates in β ladder)trans-156.1168.2178.960.6-91.7000110.9I56 V72 I91 W103 G107I56-F70 HydrophobicContact CG1-CE2 4.09Å; I56-F70 HydrophobicContact CG1-CZ 4.15Å; I56-F70 PolarHBondContact N-O 2.76Å; F70-V72 HydrophobicContact CE2-CG2 4.21Å; F70-I91 HydrophobicContact CE1-CD1 4.04Å; F70-W103 HydrophobicContact CE1-CB 4.14Å; F70-W103 HydrophobicContact CE2-CB 4.14Å; F70-W103 AromaticContact CE2-CD2 3.68Å; F70-W103 HydrophobicContact CE2-CD2 3.68Å; F70-W103 HydrophobicContact CE2-CE3 4.04Å; F70-W103 AromaticContact CE2-CG 3.69Å; F70-W103 HydrophobicContact CE2-CG 3.69Å; F70-W103 HydrophobicContact CZ-CB 3.54Å; F70-W103 AromaticContact CZ-CD1 3.84Å; F70-W103 HydrophobicContact CZ-CD2 4.01Å; F70-W103 AromaticContact CZ-CG 3.5Å; F70-W103 HydrophobicContact CZ-CG 3.5Å; F70-W103 VanDerWaalsContact CZ-CG 3.5Å; F70-G107 VanDerWaalsContact CD1-CA 3.43Å; F70-G107 VanDerWaalsContact CG-CA 3.49Å
71A91.5Very high82.7Confident47 Ų4764.5 Ų64.539%0.38834%0.341SS..EExtended strand (participates in β ladder)trans-97.6133.817200000110.2F55 P73F55-A71 HydrophobicContact CD1-CB 4.04Å; F55-A71 HydrophobicContact CD2-CB 4.21Å; F55-A71 HydrophobicContact CE1-CB 3.82Å; F55-A71 HydrophobicContact CE2-CB 3.99Å; F55-A71 HydrophobicContact CG-CB 4.25Å; F55-A71 HydrophobicContact CZ-CB 3.8Å; A71-P73 WeakPolarHBondContact O-CD 3.45Å
72V89.7Confident83.2Confident7 Ų764 Ų644%0.04234%0.338CS..  trans-74117.6169.9-178.70000107.7G54 I56 F70 N74 G75 T93 V95 W103G54-V72 PolarHBondContact O-N 2.82Å; I56-V72 HydrophobicContact CD1-CG2 4Å; I56-V72 HydrophobicContact CG1-CG2 3.93Å; F70-V72 HydrophobicContact CE2-CG2 4.21Å; V72-N74 VanDerWaalsContact C-N 3.29Å; V72-N74 PolarHBondContact O-N 2.87Å; V72-G75 PolarHBondContact O-N 2.72Å; V72-T93 HydrophobicContact CG2-CG2 4.11Å; V72-V95 HydrophobicContact CG1-CG1 3.99Å; V72-W103 HydrophobicContact CG1-CZ2 4.05Å
73P76.9Confident83.9Confident82 Ų8261.5 Ų61.553%0.53232%0.321SS..G310 helixtrans-54.3-43.4-172.4-25.633.2000113.3A71 G75 W103A71-P73 WeakPolarHBondContact O-CD 3.45Å; P73-G75 VanDerWaalsContact C-N 3.29Å; P73-G75 PolarHBondContact O-N 2.88Å; P73-W103 HydrophobicContact CG-CH2 3.99Å; P73-W103 HydrophobicContact CG-CZ3 4.4Å
74N65.4Low84.5Confident62 Ų6259.8 Ų59.833%0.33231%0.309SS..G310 helixtrans-90.815.1-178.9-63.9-13.7000113.1V72 Q76 D77 E99V72-N74 VanDerWaalsContact C-N 3.29Å; V72-N74 PolarHBondContact O-N 2.87Å; N74-Q76 PolarHBondContact O-N 2.85Å; N74-D77 PolarHBondContact O-N 2.87Å; N74-E99 PolarHBondContact ND2-OE2 2.85Å
75G59Low85.1Confident7 Ų758.5 Ų58.57%0.07229%0.294CS..G310 helixtrans-67-18.917300000113.4V72 P73 G78V72-G75 PolarHBondContact O-N 2.72Å; P73-G75 VanDerWaalsContact C-N 3.29Å; P73-G75 PolarHBondContact O-N 2.88Å; G75-G78 CarbonylContact C-O 3.49Å; G75-G78 CarbonylContact O-C 3.54Å
76Q58.1Low85.5Confident166 Ų16649.6 Ų49.678%0.77626%0.26SS*.THydrogen-bonded Turntrans-73.1-30.3172.3-66.1-82.8-38.800111.9N74 G78N74-Q76 PolarHBondContact O-N 2.85Å; Q76-G78 PolarHBondContact O-N 3.45Å
77D69.9Low85.6Confident120 Ų12049.9 Ų49.964%0.64226%0.256SS*.THydrogen-bonded Turntrans-80.30.7177.9-69.1-20.2000112.8N74N74-D77 PolarHBondContact O-N 2.87Å
78G83Confident85.3Confident14 Ų1444.5 Ų44.514%0.14424%0.24CC..SBendtrans155164.4171.100000113.4G75 Q76G75-G78 CarbonylContact C-O 3.49Å; G75-G78 CarbonylContact O-C 3.54Å; Q76-G78 PolarHBondContact O-N 3.45Å
79L90.8Very high85.3Confident53 Ų5346.3 Ų46.328%0.27725%0.253SS..  trans-66.4150.1-174.4-59.6177.5000111.5V38 A52 K81 E96V38-L79 HydrophobicContact CG1-CD1 4.48Å; V38-L79 HydrophobicContact CG1-CD2 4.36Å; A52-L79 HydrophobicContact CB-CD2 4.03Å; L79-K81 WeakPolarHBondContact O-CG 3.38Å; L79-K81 PolarHBondContact O-N 2.85Å; L79-E96 PolarHBondContact O-N 3.3Å
80V93.9Very high85.4Confident2 Ų248 Ų481%0.01226%0.258CS..EExtended strand (participates in β ladder)trans-64.8121.2166.8-179.90000109.4V38 R39 A50 G82 C94 V95V38-V80 HydrophobicContact CG2-CB 4.09Å; R39-V80 HydrophobicContact CG-CG1 4.47Å; R39-V80 WeakPolarHBondContact CG-O 3.24Å; A50-V80 HydrophobicContact CB-CB 3.84Å; A50-V80 HydrophobicContact CB-CG1 3.71Å; A50-V80 HydrophobicContact CB-CG2 4.17Å; V80-G82 VanDerWaalsContact CG1-O 3.27Å; V80-G82 WeakPolarHBondContact CG1-O 3.17Å; V80-C94 CarbonylContact C-O 3.59Å; V80-C94 WeakPolarHBondContact CA-O 3.37Å; V80-V95 HydrophobicContact CG2-CG1 4.31Å
81K94Very high85.5Confident20 Ų2047 Ų479%0.08725%0.254CS..EExtended strand (participates in β ladder)trans-102.7-12.1-176.3-59.9-69-173.7163.50113.7R39 L79 C94 E96 V119 M122R39-K81 VanDerWaalsContact NE-C 3.33Å; R39-K81 PolarHBondContact NE-O 2.84Å; R39-K81 PolarHBondContact NH2-O 3.14Å; L79-K81 WeakPolarHBondContact O-CG 3.38Å; L79-K81 PolarHBondContact O-N 2.85Å; K81-C94 PolarHBondContact N-O 2.67Å; K81-E96 HydrophobicContact CD-CB 4.47Å; K81-E96 VanDerWaalsContact CE-CG 3.46Å; K81-E96 WeakPolarHBondContact CE-OE1 3.39Å; K81-E96 WeakPolarHBondContact CE-OE2 3.48Å; K81-E96 HydrophobicContact CG-CB 4.15Å; K81-E96 IonicContact NZ-OE1 2.95Å; K81-E96 PolarHBondContact NZ-OE1 2.85Å; K81-E96 IonicContact NZ-OE2 2.9Å; K81-E96 PolarHBondContact NZ-OE2 2.85Å; K81-V119 HydrophobicContact CB-CG1 4.22Å; K81-V119 WeakPolarHBondContact CD-O 2.98Å; K81-V119 VanDerWaalsContact CE-O 3.25Å; K81-V119 WeakPolarHBondContact CE-O 3.4Å; K81-V119 WeakPolarHBondContact CG-O 3.18Å; K81-M122 PolarHBondContact O-N 2.75Å
82G94.3Very high85.7Confident2 Ų244.8 Ų44.82%0.02124%0.236CC..EExtended strand (participates in β ladder)trans-160.2153.3166.100000112V80 T93 C94V80-G82 VanDerWaalsContact CG1-O 3.27Å; V80-G82 WeakPolarHBondContact CG1-O 3.17Å; G82-T93 WeakPolarHBondContact O-CA 3.36Å; G82-C94 PolarHBondContact N-O 2.99Å; G82-C94 PolarHBondContact O-N 2.94Å
83I95.3Very high86Confident16 Ų1644.5 Ų44.58%0.08223%0.234CC..EExtended strand (participates in β ladder)trans-139.7139.3174-169.1175.7000108.3R39 C41 L48 A50 I56 I91 I92R39-I83 HydrophobicContact CB-CB 4.38Å; R39-I83 HydrophobicContact CB-CG2 3.72Å; C41-I83 HydrophobicContact CB-CG2 3.72Å; C41-I83 WeakPolarHBondContact CB-O 3.33Å; L48-I83 HydrophobicContact CB-CD1 3.86Å; L48-I83 HydrophobicContact CD1-CD1 4.41Å; A50-I83 HydrophobicContact CB-CD1 4.38Å; I56-I83 HydrophobicContact CD1-CD1 4.15Å; I56-I83 HydrophobicContact CG2-CD1 3.92Å; I83-I91 HydrophobicContact CD1-CG2 4.3Å; I83-I91 HydrophobicContact CG1-CG2 4.13Å; I83-I92 CarbonylContact C-O 3.54Å; I83-I92 VanDerWaalsContact CA-O 3.26Å; I83-I92 WeakPolarHBondContact CA-O 3.32Å
84A95.4Very high86.9Confident2 Ų240.6 Ų40.62%0.01721%0.209CC..EExtended strand (participates in β ladder)trans-151.9173.2179.200000110.5I92 M122 Q124A84-I92 HydrophobicContact CB-CB 4.24Å; A84-I92 HydrophobicContact CB-CD1 4.37Å; A84-I92 PolarHBondContact N-O 3.09Å; A84-I92 PolarHBondContact O-N 3Å; A84-M122 HydrophobicContact CB-CE 4.43Å; A84-Q124 HydrophobicContact CB-CB 3.73Å; A84-Q124 HydrophobicContact CB-CG 4.28Å
85T94.6Very high88.3Confident13 Ų1337.7 Ų37.78%0.0819%0.193CC..EExtended strand (participates in β ladder)trans-126.8146.7-179.358.70000110.6W42 M43 L48 K90 Q124W42-T85 WeakPolarHBondContact O-CG2 3.43Å; W42-T85 PolarHBondContact O-OG1 3.24Å; M43-T85 HydrophobicContact CB-CG2 3.77Å; M43-T85 HydrophobicContact CG-CG2 3.91Å; M43-T85 HydrophobicContact SD-CG2 4.43Å; L48-T85 HydrophobicContact CD1-CG2 3.58Å; T85-K90 CarbonylContact C-O 3.49Å; T85-K90 VanDerWaalsContact CA-O 3.32Å; T85-K90 WeakPolarHBondContact CA-O 3.31Å; T85-Q124 PolarHBondContact O-NE2 3.02Å; T85-Q124 PolarHBondContact O-OE1 2.93Å
86M92.6Very high90Very high5 Ų540.1 Ų40.13%0.02520%0.203CC..EExtended strand (participates in β ladder)trans-129.6125.9176.8-16717988.400108.9N88 Q89 K90 I92 Q129 T130M86-N88 PolarHBondContact O-N 2.79Å; M86-Q89 PolarHBondContact O-N 3.35Å; M86-Q89 VanDerWaalsContact O-N 3.09Å; M86-K90 HydrophobicContact CB-CB 4.27Å; M86-K90 HydrophobicContact CE-CD 3.72Å; M86-K90 PolarHBondContact N-O 2.95Å; M86-K90 PolarHBondContact O-N 2.87Å; M86-I92 HydrophobicContact CB-CD1 4.1Å; M86-Q129 HydrophobicContact CG-CB 4.13Å; M86-T130 HydrophobicContact SD-CG2 4.01Å
87D88Confident91.7Very high97 Ų9733.9 Ų33.952%0.51918%0.18SC..THydrogen-bonded Turntrans52.621.3-174.7-51.3-46.9000114.1Q89D87-Q89 PolarHBondContact O-N 3.07Å
88N84.2Confident92.8Very high60 Ų6028.2 Ų28.232%0.32115%0.149SC..THydrogen-bonded Turntrans5217.4-170.5-64.3-32.7000115.3D44 M86D44-N88 PolarHBondContact OD1-ND2 3.31Å; D44-N88 PolarHBondContact OD2-ND2 3Å; D44-N88 VanDerWaalsContact OD2-ND2 3.14Å; M86-N88 PolarHBondContact O-N 2.79Å
89Q89.1Confident93.3Very high141 Ų14129.2 Ų29.266%0.65915%0.15SC*.THydrogen-bonded Turntrans-123.1-16.8-179.5-69.7-175.60.200112.7M86 D87 T105M86-Q89 PolarHBondContact O-N 3.35Å; M86-Q89 VanDerWaalsContact O-N 3.09Å; D87-Q89 PolarHBondContact O-N 3.07Å; Q89-T105 WeakPolarHBondContact O-CG2 3.16Å
90K94.2Very high93.5Very high72 Ų7226.7 Ų26.731%0.31314%0.137SC..EExtended strand (participates in β ladder)trans-120.9146.8176.2-55-168.7-159.6164.40110.7T85 M86 V102 W103T85-K90 CarbonylContact C-O 3.49Å; T85-K90 VanDerWaalsContact CA-O 3.32Å; T85-K90 WeakPolarHBondContact CA-O 3.31Å; M86-K90 HydrophobicContact CB-CB 4.27Å; M86-K90 HydrophobicContact CE-CD 3.72Å; M86-K90 PolarHBondContact N-O 2.95Å; M86-K90 PolarHBondContact O-N 2.87Å; K90-V102 HydrophobicContact CB-CG1 3.92Å; K90-V102 HydrophobicContact CD-CG1 3.69Å; K90-V102 HydrophobicContact CG-CG1 4.4Å; K90-W103 CarbonylContact C-O 3.52Å; K90-W103 WeakPolarHBondContact CA-O 3.41Å; K90-W103 VanDerWaalsContact CB-O 3.31Å; K90-W103 WeakPolarHBondContact CB-O 3.36Å
91I95.6Very high93.6Very high0 Ų026.7 Ų26.70%014%0.137CC..EExtended strand (participates in β ladder)trans-109132175.6-63171.3000107.4L48 L69 F70 I83 T93 W103L48-I91 HydrophobicContact CD1-CD1 3.99Å; L48-I91 HydrophobicContact CD1-CG1 3.91Å; L48-I91 HydrophobicContact CD1-CG2 4.47Å; L48-I91 HydrophobicContact CD2-CD1 4.33Å; L69-I91 HydrophobicContact CD1-CD1 3.71Å; F70-I91 HydrophobicContact CE1-CD1 4.04Å; I83-I91 HydrophobicContact CD1-CG2 4.3Å; I83-I91 HydrophobicContact CG1-CG2 4.13Å; I91-T93 HydrophobicContact CG2-CG2 4.11Å; I91-W103 PolarHBondContact N-O 2.94Å; I91-W103 VanDerWaalsContact O-CD1 3.3Å; I91-W103 PolarHBondContact O-N 2.97Å
92I96.3Very high93.6Very high0 Ų025.9 Ų25.90%013%0.133CC..EExtended strand (participates in β ladder)trans-106.1128.6174.5-54162.9000107.4I83 A84 M86 V100 S101 V102 M122 V132 L146I83-I92 CarbonylContact C-O 3.54Å; I83-I92 VanDerWaalsContact CA-O 3.26Å; I83-I92 WeakPolarHBondContact CA-O 3.32Å; A84-I92 HydrophobicContact CB-CB 4.24Å; A84-I92 HydrophobicContact CB-CD1 4.37Å; A84-I92 PolarHBondContact N-O 3.09Å; A84-I92 PolarHBondContact O-N 3Å; M86-I92 HydrophobicContact CB-CD1 4.1Å; I92-V100 HydrophobicContact CG2-CG1 4.01Å; I92-S101 WeakPolarHBondContact CA-O 3.49Å; I92-V102 HydrophobicContact CG1-CG2 4.37Å; I92-M122 HydrophobicContact CG2-CE 3.93Å; I92-V132 HydrophobicContact CD1-CG1 4.21Å; I92-V132 HydrophobicContact CG2-CG1 4.39Å; I92-L146 HydrophobicContact CD1-CD1 3.55Å; I92-L146 HydrophobicContact CG1-CD1 3.94Å; I92-L146 HydrophobicContact CG2-CD1 3.95Å
93T95.8Very high93.7Very high1 Ų126 Ų261%0.00613%0.134CC..EExtended strand (participates in β ladder)trans-122.8150.117464.10000110.4I56 V72 G82 I91 V100 S101 W103I56-T93 HydrophobicContact CD1-CG2 4.06Å; I56-T93 HydrophobicContact CG1-CG2 4.33Å; V72-T93 HydrophobicContact CG2-CG2 4.11Å; G82-T93 WeakPolarHBondContact O-CA 3.36Å; I91-T93 HydrophobicContact CG2-CG2 4.11Å; T93-V100 CarbonylContact O-C 3.57Å; T93-V100 VanDerWaalsContact O-CA 3.29Å; T93-V100 WeakPolarHBondContact O-CA 3.41Å; T93-S101 PolarHBondContact N-O 3.21Å; T93-S101 PolarHBondContact O-N 3.2Å; T93-W103 PolarHBondContact OG1-NE1 2.69Å
94C95.1Very high93.5Very high0 Ų027.6 Ų27.60%014%0.142CC..EExtended strand (participates in β ladder)trans-129.2128.8168.4175.50000109.1V80 K81 G82 E99 V100 M122V80-C94 CarbonylContact C-O 3.59Å; V80-C94 WeakPolarHBondContact CA-O 3.37Å; K81-C94 PolarHBondContact N-O 2.67Å; G82-C94 PolarHBondContact N-O 2.99Å; G82-C94 PolarHBondContact O-N 2.94Å; C94-E99 VanDerWaalsContact CA-O 3.32Å; C94-E99 WeakPolarHBondContact CA-O 3.42Å; C94-V100 HydrophobicContact CB-CG2 3.98Å; C94-M122 HydrophobicContact CB-CB 3.47Å; C94-M122 VanDerWaalsContact CB-CB 3.47Å; C94-M122 HydrophobicContact CB-CE 4Å; C94-M122 HydrophobicContact CB-CG 3.88Å
95V95.1Very high93.1Very high1 Ų131.2 Ų31.21%0.00616%0.164CC..EExtended strand (participates in β ladder)trans-101.4161.8175.7-63.90000111.5V72 V80 A97 G98 E99V72-V95 HydrophobicContact CG1-CG1 3.99Å; V80-V95 HydrophobicContact CG2-CG1 4.31Å; V95-A97 HydrophobicContact CG2-CB 4.2Å; V95-A97 PolarHBondContact O-N 3.25Å; V95-G98 PolarHBondContact O-N 3.01Å; V95-E99 HydrophobicContact CG2-CB 3.76Å; V95-E99 PolarHBondContact N-O 2.72Å
96E94.4Very high92.7Very high58 Ų5834.8 Ų34.827%0.27119%0.19SC..THydrogen-bonded Turntrans-54.8-36.1178.6-171.1150.2-149.700113.8L79 K81 G98 D118 V119L79-E96 PolarHBondContact O-N 3.3Å; K81-E96 HydrophobicContact CD-CB 4.47Å; K81-E96 VanDerWaalsContact CE-CG 3.46Å; K81-E96 WeakPolarHBondContact CE-OE1 3.39Å; K81-E96 WeakPolarHBondContact CE-OE2 3.48Å; K81-E96 HydrophobicContact CG-CB 4.15Å; K81-E96 IonicContact NZ-OE1 2.95Å; K81-E96 PolarHBondContact NZ-OE1 2.85Å; K81-E96 IonicContact NZ-OE2 2.9Å; K81-E96 PolarHBondContact NZ-OE2 2.85Å; E96-G98 PolarHBondContact O-N 3.12Å; E96-D118 PolarHBondContact O-N 3.2Å; E96-V119 PolarHBondContact O-N 2.9Å; E96-V119 VanDerWaalsContact O-N 3.1Å
97A93.8Very high92.6Very high35 Ų3535.6 Ų35.629%0.28920%0.199SC..THydrogen-bonded Turntrans-64.5-6.5175.800000113.8V95V95-A97 HydrophobicContact CG2-CB 4.2Å; V95-A97 PolarHBondContact O-N 3.25Å
98G93Very high92.8Very high0 Ų033.1 Ų33.10%019%0.192CC..SBendtrans96.8-6.3174.500000114.6V95 E96 V100 A115 N116V95-G98 PolarHBondContact O-N 3.01Å; E96-G98 PolarHBondContact O-N 3.12Å; G98-V100 PolarHBondContact O-N 3.11Å; G98-A115 WeakPolarHBondContact O-CA 3.43Å; G98-A115 VanDerWaalsContact O-CB 3.3Å; G98-A115 WeakPolarHBondContact O-CB 3.48Å; G98-A115 PolarHBondContact O-N 2.83Å; G98-N116 WeakPolarHBondContact CA-O 3.31Å
99E94.1Very high93.2Very high35 Ų3534.3 Ų34.316%0.16420%0.196CC..EExtended strand (participates in β ladder)trans-70.1123.1176.8-160.8-171.5174.200110.5N74 C94 V95 S101 Q109 T112N74-E99 PolarHBondContact ND2-OE2 2.85Å; C94-E99 VanDerWaalsContact CA-O 3.32Å; C94-E99 WeakPolarHBondContact CA-O 3.42Å; V95-E99 HydrophobicContact CG2-CB 3.76Å; V95-E99 PolarHBondContact N-O 2.72Å; E99-S101 WeakPolarHBondContact CG-OG 3.38Å; E99-S101 PolarHBondContact OE1-OG 3.3Å; E99-S101 VanDerWaalsContact OE1-OG 3.04Å; E99-Q109 PolarHBondContact OE1-NE2 2.89Å; E99-T112 WeakPolarHBondContact CG-OG1 3.15Å; E99-T112 PolarHBondContact OE1-OG1 3.01Å
100V95.3Very high93.4Very high0 Ų031.1 Ų31.10%019%0.188CC..EExtended strand (participates in β ladder)trans-110.3113.2171.3-177.50000107.5I92 T93 C94 G98 T112 V113 A115 V132 T134 L146I92-V100 HydrophobicContact CG2-CG1 4.01Å; T93-V100 CarbonylContact O-C 3.57Å; T93-V100 VanDerWaalsContact O-CA 3.29Å; T93-V100 WeakPolarHBondContact O-CA 3.41Å; C94-V100 HydrophobicContact CB-CG2 3.98Å; G98-V100 PolarHBondContact O-N 3.11Å; V100-T112 CarbonylContact O-C 3.55Å; V100-T112 WeakPolarHBondContact O-CA 3.06Å; V100-V113 HydrophobicContact CB-CG2 3.69Å; V100-V113 HydrophobicContact CG1-CG2 4.28Å; V100-V113 HydrophobicContact CG2-CG2 4.36Å; V100-V113 PolarHBondContact N-O 3.23Å; V100-V113 PolarHBondContact O-N 3.29Å; V100-A115 HydrophobicContact CG2-CB 4.06Å; V100-V132 HydrophobicContact CG1-CG2 4.24Å; V100-T134 HydrophobicContact CG2-CG2 3.87Å; V100-L146 HydrophobicContact CG1-CD2 4.16Å
101S94.7Very high93.3Very high2 Ų230.7 Ų30.71%0.01419%0.187CC..EExtended strand (participates in β ladder)trans-119.8142.6-172-57.50000111.2I92 T93 E99 W103 Q109 Q111 T112I92-S101 WeakPolarHBondContact CA-O 3.49Å; T93-S101 PolarHBondContact N-O 3.21Å; T93-S101 PolarHBondContact O-N 3.2Å; E99-S101 WeakPolarHBondContact CG-OG 3.38Å; E99-S101 PolarHBondContact OE1-OG 3.3Å; E99-S101 VanDerWaalsContact OE1-OG 3.04Å; S101-W103 VanDerWaalsContact CB-CE2 3.48Å; S101-Q109 PolarHBondContact OG-NE2 2.81Å; S101-Q111 CarbonylContact C-O 3.53Å; S101-Q111 WeakPolarHBondContact CA-O 3.39Å; S101-T112 PolarHBondContact OG-OG1 3.33Å
102V95.5Very high93.2Very high3 Ų333.9 Ų33.92%0.01821%0.207CC..EExtended strand (participates in β ladder)trans-105.7125.4172.6-173.20000107.8K90 I92 C110 Q111 L146K90-V102 HydrophobicContact CB-CG1 3.92Å; K90-V102 HydrophobicContact CD-CG1 3.69Å; K90-V102 HydrophobicContact CG-CG1 4.4Å; I92-V102 HydrophobicContact CG1-CG2 4.37Å; V102-C110 PolarHBondContact O-N 3.3Å; V102-Q111 HydrophobicContact CB-CB 4.2Å; V102-Q111 HydrophobicContact CG2-CB 4.28Å; V102-Q111 PolarHBondContact N-O 2.78Å; V102-Q111 PolarHBondContact O-N 2.79Å; V102-L146 HydrophobicContact CG2-CB 4.38Å; V102-L146 HydrophobicContact CG2-CD1 3.84Å; V102-L146 HydrophobicContact CG2-CD2 4.4Å; V102-L146 HydrophobicContact CG2-CG 4.43Å
103W95Very high93.1Very high6 Ų634.2 Ų34.22%0.02321%0.209CC..EExtended strand (participates in β ladder)trans-117.7146.8-177.8-47.389.3000109.5F70 V72 P73 K90 I91 T93 S101 A108 Q109F70-W103 HydrophobicContact CE1-CB 4.14Å; F70-W103 HydrophobicContact CE2-CB 4.14Å; F70-W103 AromaticContact CE2-CD2 3.68Å; F70-W103 HydrophobicContact CE2-CD2 3.68Å; F70-W103 HydrophobicContact CE2-CE3 4.04Å; F70-W103 AromaticContact CE2-CG 3.69Å; F70-W103 HydrophobicContact CE2-CG 3.69Å; F70-W103 HydrophobicContact CZ-CB 3.54Å; F70-W103 AromaticContact CZ-CD1 3.84Å; F70-W103 HydrophobicContact CZ-CD2 4.01Å; F70-W103 AromaticContact CZ-CG 3.5Å; F70-W103 HydrophobicContact CZ-CG 3.5Å; F70-W103 VanDerWaalsContact CZ-CG 3.5Å; V72-W103 HydrophobicContact CG1-CZ2 4.05Å; P73-W103 HydrophobicContact CG-CH2 3.99Å; P73-W103 HydrophobicContact CG-CZ3 4.4Å; K90-W103 CarbonylContact C-O 3.52Å; K90-W103 WeakPolarHBondContact CA-O 3.41Å; K90-W103 VanDerWaalsContact CB-O 3.31Å; K90-W103 WeakPolarHBondContact CB-O 3.36Å; I91-W103 PolarHBondContact N-O 2.94Å; I91-W103 VanDerWaalsContact O-CD1 3.3Å; I91-W103 PolarHBondContact O-N 2.97Å; T93-W103 PolarHBondContact OG1-NE1 2.69Å; S101-W103 VanDerWaalsContact CB-CE2 3.48Å; W103-A108 WeakPolarHBondContact CA-O 3.33Å; W103-Q109 HydrophobicContact CE3-CB 3.75Å; W103-Q109 HydrophobicContact CE3-CG 4.14Å; W103-Q109 HydrophobicContact CH2-CB 4.03Å; W103-Q109 HydrophobicContact CH2-CG 3.89Å; W103-Q109 HydrophobicContact CZ2-CG 4.36Å; W103-Q109 HydrophobicContact CZ3-CB 3.46Å; W103-Q109 VanDerWaalsContact CZ3-CB 3.46Å; W103-Q109 HydrophobicContact CZ3-CG 3.82Å
104D92.4Very high93Very high48 Ų4839.3 Ų39.326%0.25724%0.236SC..EExtended strand (participates in β ladder)trans-75.6173.5158.671.818.9000110.9S106 G107 A108D104-S106 PolarHBondContact O-N 2.78Å; D104-S106 VanDerWaalsContact OD1-CA 3.27Å; D104-S106 WeakPolarHBondContact OD1-CA 3.47Å; D104-S106 VanDerWaalsContact OD1-CB 3.31Å; D104-S106 WeakPolarHBondContact OD1-CB 3.47Å; D104-S106 PolarHBondContact OD1-N 3.41Å; D104-S106 PolarHBondContact OD1-OG 3.01Å; D104-S106 PolarHBondContact OD2-OG 2.9Å; D104-S106 VanDerWaalsContact OD2-OG 3.07Å; D104-G107 PolarHBondContact O-N 3.43Å; D104-G107 VanDerWaalsContact O-N 3.17Å; D104-G107 PolarHBondContact OD1-N 2.77Å; D104-A108 PolarHBondContact N-O 2.7Å; D104-A108 PolarHBondContact OD1-N 2.78Å; D104-A108 WeakPolarHBondContact OD2-CB 3.35Å
105T85.8Confident93Very high78 Ų7839.3 Ų39.348%0.47924%0.236SC..THydrogen-bonded Turntrans-69.9-12.6177.751.50000114.1Q89 G107Q89-T105 WeakPolarHBondContact O-CG2 3.16Å; T105-G107 VanDerWaalsContact C-N 3.34Å
106S87.8Confident92.9Very high89 Ų8943.5 Ų43.562%0.62226%0.259SS*.THydrogen-bonded Turntrans-82.5-15.2173.3840000112.7D104D104-S106 PolarHBondContact O-N 2.78Å; D104-S106 VanDerWaalsContact OD1-CA 3.27Å; D104-S106 WeakPolarHBondContact OD1-CA 3.47Å; D104-S106 VanDerWaalsContact OD1-CB 3.31Å; D104-S106 WeakPolarHBondContact OD1-CB 3.47Å; D104-S106 PolarHBondContact OD1-N 3.41Å; D104-S106 PolarHBondContact OD1-OG 3.01Å; D104-S106 PolarHBondContact OD2-OG 2.9Å; D104-S106 VanDerWaalsContact OD2-OG 3.07Å
107G89.6Confident92.8Very high21 Ų2145.2 Ų45.222%0.21627%0.273CS..SBendtrans94.110.3-176.100000114F70 D104 T105F70-G107 VanDerWaalsContact CD1-CA 3.43Å; F70-G107 VanDerWaalsContact CG-CA 3.49Å; D104-G107 PolarHBondContact O-N 3.43Å; D104-G107 VanDerWaalsContact O-N 3.17Å; D104-G107 PolarHBondContact OD1-N 2.77Å; T105-G107 VanDerWaalsContact C-N 3.34Å
108A92.7Very high92.8Very high46 Ų4647.2 Ų47.238%0.3828%0.278SS..  trans-77.1130172.800000110.1W103 D104 C110W103-A108 WeakPolarHBondContact CA-O 3.33Å; D104-A108 PolarHBondContact N-O 2.7Å; D104-A108 PolarHBondContact OD1-N 2.78Å; D104-A108 WeakPolarHBondContact OD2-CB 3.35Å; A108-C110 PolarHBondContact O-N 2.85Å
109Q92.7Very high93Very high84 Ų8447.2 Ų47.239%0.39328%0.278SS..EExtended strand (participates in β ladder)trans-75.6112.9177.9-162.8170.2-0.700109.9E99 S101 W103 T112E99-Q109 PolarHBondContact OE1-NE2 2.89Å; S101-Q109 PolarHBondContact OG-NE2 2.81Å; W103-Q109 HydrophobicContact CE3-CB 3.75Å; W103-Q109 HydrophobicContact CE3-CG 4.14Å; W103-Q109 HydrophobicContact CH2-CB 4.03Å; W103-Q109 HydrophobicContact CH2-CG 3.89Å; W103-Q109 HydrophobicContact CZ2-CG 4.36Å; W103-Q109 HydrophobicContact CZ3-CB 3.46Å; W103-Q109 VanDerWaalsContact CZ3-CB 3.46Å; W103-Q109 HydrophobicContact CZ3-CG 3.82Å; Q109-T112 VanDerWaalsContact NE2-CB 3.33Å
110C91.8Very high93Very high74 Ų7446.6 Ų46.650%0.528%0.277SS..EExtended strand (participates in β ladder)trans-83-37.2177-53.80000111.7V102 A108V102-C110 PolarHBondContact O-N 3.3Å; A108-C110 PolarHBondContact O-N 2.85Å
111Q92.4Very high93.1Very high63 Ų6348.5 Ų48.529%0.29428%0.284SS..EExtended strand (participates in β ladder)trans-156.5154.3-173.5-168.2172.50.100111.5S101 V102 L146S101-Q111 CarbonylContact C-O 3.53Å; S101-Q111 WeakPolarHBondContact CA-O 3.39Å; V102-Q111 HydrophobicContact CB-CB 4.2Å; V102-Q111 HydrophobicContact CG2-CB 4.28Å; V102-Q111 PolarHBondContact N-O 2.78Å; V102-Q111 PolarHBondContact O-N 2.79Å; Q111-L146 PolarHBondContact NE2-O 3.13Å; Q111-L146 PolarHBondContact OE1-O 2.84Å
112T93.5Very high93.2Very high67 Ų6748.7 Ų48.741%0.41128%0.284SS..EExtended strand (participates in β ladder)trans-142.2145.9173.2-168.80000111.4E99 V100 S101 Q109E99-T112 WeakPolarHBondContact CG-OG1 3.15Å; E99-T112 PolarHBondContact OE1-OG1 3.01Å; V100-T112 CarbonylContact O-C 3.55Å; V100-T112 WeakPolarHBondContact O-CA 3.06Å; S101-T112 PolarHBondContact OG-OG1 3.33Å; Q109-T112 VanDerWaalsContact NE2-CB 3.33Å
113V95.1Very high93.2Very high8 Ų851.7 Ų51.75%0.04830%0.295CS..EExtended strand (participates in β ladder)trans-134.6147168.9-55.30000109.4V100 W144 L146V100-V113 HydrophobicContact CB-CG2 3.69Å; V100-V113 HydrophobicContact CG1-CG2 4.28Å; V100-V113 HydrophobicContact CG2-CG2 4.36Å; V100-V113 PolarHBondContact N-O 3.23Å; V100-V113 PolarHBondContact O-N 3.29Å; V113-W144 HydrophobicContact CB-CE3 4.02Å; V113-W144 HydrophobicContact CB-CZ3 4.16Å; V113-W144 HydrophobicContact CG2-CD2 4.07Å; V113-W144 HydrophobicContact CG2-CE3 3.79Å; V113-W144 HydrophobicContact CG2-CG 4.46Å; V113-W144 HydrophobicContact CG2-CZ3 4.29Å; V113-L146 HydrophobicContact CG2-CD2 4.11Å
114N94Very high93.3Very high107 Ų10753.5 Ų53.557%0.57230%0.304SS*.EExtended strand (participates in β ladder)trans-101.5111-179.1-172.6-20.9000111N116 W144N114-N116 VanDerWaalsContact C-N 3.3Å; N114-N116 PolarHBondContact O-N 3.12Å; N114-N116 WeakPolarHBondContact OD1-CA 3.46Å; N114-N116 PolarHBondContact OD1-N 2.77Å; N114-W144 WeakPolarHBondContact O-CH2 3.49Å
115A94.4Very high93.5Very high0 Ų051.5 Ų51.50%029%0.294CS..  trans-85.59.5179.900000115.3G98 V100 V119 T134 N139 K142 W144G98-A115 WeakPolarHBondContact O-CA 3.43Å; G98-A115 VanDerWaalsContact O-CB 3.3Å; G98-A115 WeakPolarHBondContact O-CB 3.48Å; G98-A115 PolarHBondContact O-N 2.83Å; V100-A115 HydrophobicContact CG2-CB 4.06Å; A115-V119 HydrophobicContact CB-CG2 4.25Å; A115-T134 HydrophobicContact CB-CG2 3.95Å; A115-N139 PolarHBondContact O-ND2 3.1Å; A115-N139 PolarHBondContact O-OD1 3.28Å; A115-K142 PolarHBondContact O-NZ 2.88Å; A115-W144 VanDerWaalsContact CA-CZ2 3.46Å; A115-W144 HydrophobicContact CB-CZ2 3.73Å
116N92.5Very high93.7Very high90 Ų9052.5 Ų52.548%0.48130%0.301SS..  trans66.1154.8-164-56.41.4000112.8G98 N114 V119 N139 K142G98-N116 WeakPolarHBondContact CA-O 3.31Å; N114-N116 VanDerWaalsContact C-N 3.3Å; N114-N116 PolarHBondContact O-N 3.12Å; N114-N116 WeakPolarHBondContact OD1-CA 3.46Å; N114-N116 PolarHBondContact OD1-N 2.77Å; N116-V119 VanDerWaalsContact O-CG2 3.31Å; N116-V119 WeakPolarHBondContact O-CG2 3.36Å; N116-N139 PolarHBondContact O-ND2 2.93Å; N116-N139 VanDerWaalsContact O-ND2 3.12Å; N116-K142 PolarHBondContact ND2-NZ 2.64Å; N116-K142 PolarHBondContact OD1-NZ 3.45Å
117V93.3Very high93.9Very high93 Ų9352 Ų5256%0.56429%0.289SS*.SBendtrans-58.8170.7178.8-58.90000113.6V119 N139V117-V119 VanDerWaalsContact C-N 3.32Å; V117-V119 PolarHBondContact O-N 2.9Å; V117-N139 PolarHBondContact O-ND2 2.82Å
118D94.2Very high94.1Very high77 Ų7756.7 Ų56.741%0.41230%0.3SS..  trans61.332.3177.3-68.2-36000114.7E96 N120 G136 K137E96-D118 PolarHBondContact O-N 3.2Å; D118-N120 PolarHBondContact O-N 3.39Å; D118-G136 CarbonylContact O-C 3.51Å; D118-G136 WeakPolarHBondContact O-CA 3.24Å; D118-K137 HydrophobicContact CB-CB 4.04Å; D118-K137 PolarHBondContact O-N 2.86Å
119V95.7Very high94.1Very high0 Ų058.7 Ų58.70%030%0.302CS..EExtended strand (participates in β ladder)trans-64.4132.9172-179.90000109.2K81 E96 A115 N116 V117 R121K81-V119 HydrophobicContact CB-CG1 4.22Å; K81-V119 WeakPolarHBondContact CD-O 2.98Å; K81-V119 VanDerWaalsContact CE-O 3.25Å; K81-V119 WeakPolarHBondContact CE-O 3.4Å; K81-V119 WeakPolarHBondContact CG-O 3.18Å; E96-V119 PolarHBondContact O-N 2.9Å; E96-V119 VanDerWaalsContact O-N 3.1Å; A115-V119 HydrophobicContact CB-CG2 4.25Å; N116-V119 VanDerWaalsContact O-CG2 3.31Å; N116-V119 WeakPolarHBondContact O-CG2 3.36Å; V117-V119 VanDerWaalsContact C-N 3.32Å; V117-V119 PolarHBondContact O-N 2.9Å; V119-R121 WeakPolarHBondContact CG1-O 3.2Å
120N95.3Very high94.2Very high23 Ų2355.5 Ų55.512%0.12329%0.288CS..EExtended strand (participates in β ladder)trans-102.5-31.1170.9-97.6-29.1000112.6R39 D118 G135 W171 R173R39-N120 PolarHBondContact NH2-O 2.88Å; R39-N120 VanDerWaalsContact NH2-O 3.07Å; D118-N120 PolarHBondContact O-N 3.39Å; N120-G135 PolarHBondContact N-O 2.81Å; N120-W171 PolarHBondContact ND2-NE1 3.42Å; N120-R173 PolarHBondContact ND2-NH1 2.98Å; N120-R173 VanDerWaalsContact ND2-NH1 3.1Å
121R95.8Very high94.4Very high39 Ų3952.4 Ų52.415%0.14727%0.267CS..EExtended strand (participates in β ladder)trans-145.6137.5-176.4-147.676.7-171.1-120.60.2112V119 R123 T134 G135 D174V119-R121 WeakPolarHBondContact CG1-O 3.2Å; R121-R123 HydrophobicContact CG-CG 4.35Å; R121-T134 WeakPolarHBondContact O-CA 3.48Å; R121-G135 PolarHBondContact N-O 3Å; R121-G135 PolarHBondContact O-N 2.81Å; R121-D174 WeakPolarHBondContact CG-OD1 3.5Å; R121-D174 IonicContact CZ-OD1 3.09Å; R121-D174 IonicContact CZ-OD2 3.46Å; R121-D174 IonicContact NE-OD1 2.76Å; R121-D174 IonicContact NH1-OD1 3.29Å; R121-D174 IonicContact NH1-OD2 3.59Å; R121-D174 PolarHBondContact NH1-OD2 2.79Å; R121-D174 VanDerWaalsContact NH1-OD2 3.08Å
122M97Very high94.7Very high6 Ų649.4 Ų49.43%0.0325%0.253CS..EExtended strand (participates in β ladder)trans-118.6139.9158.1177.3-81-81.400109K81 A84 I92 C94 V132 A133 T134K81-M122 PolarHBondContact O-N 2.75Å; A84-M122 HydrophobicContact CB-CE 4.43Å; I92-M122 HydrophobicContact CG2-CE 3.93Å; C94-M122 HydrophobicContact CB-CB 3.47Å; C94-M122 VanDerWaalsContact CB-CB 3.47Å; C94-M122 HydrophobicContact CB-CE 4Å; C94-M122 HydrophobicContact CB-CG 3.88Å; M122-V132 HydrophobicContact CG-CB 4.22Å; M122-V132 HydrophobicContact SD-CB 4.16Å; M122-V132 HydrophobicContact SD-CG1 4.13Å; M122-A133 CarbonylContact C-O 3.59Å; M122-A133 WeakPolarHBondContact CA-O 3.13Å; M122-T134 HydrophobicContact CB-CG2 4.08Å; M122-T134 HydrophobicContact CG-CG2 3.99Å
123R96.7Very high94.9Very high66 Ų6646.2 Ų46.225%0.24923%0.234CC..EExtended strand (participates in β ladder)trans-133.6143.9169.6-67-154.1-176.7-1196.2110.5R121 V132 A133 D174 I175 F177 M219R121-R123 HydrophobicContact CG-CG 4.35Å; R123-V132 CarbonylContact O-C 3.4Å; R123-V132 WeakPolarHBondContact O-CA 3.48Å; R123-A133 PolarHBondContact N-O 3.3Å; R123-A133 PolarHBondContact O-N 3.47Å; R123-D174 IonicContact CZ-OD1 3.95Å; R123-D174 IonicContact CZ-OD2 3.42Å; R123-D174 IonicContact NE-OD1 3.37Å; R123-D174 PolarHBondContact NE-OD1 2.85Å; R123-D174 IonicContact NH2-OD1 3.21Å; R123-D174 PolarHBondContact NH2-OD1 2.89Å; R123-D174 IonicContact NH2-OD2 2.83Å; R123-D174 PolarHBondContact NH2-OD2 3.07Å; R123-I175 WeakPolarHBondContact CD-O 3.28Å; R123-I175 HydrophobicContact CG-CB 4.47Å; R123-I175 PolarHBondContact NE-O 3.47Å; R123-F177 HydrophobicContact CB-CE2 4.21Å; R123-F177 WeakPolarHBondContact O-CE2 3.5Å; R123-M219 PolarHBondContact NH2-O 3.09Å
124Q96.5Very high95Very high45 Ų4545.9 Ų45.921%0.2123%0.231CC..EExtended strand (participates in β ladder)trans-84.7147.4171-170.2-178.336.700110.6A84 T85 Q129 V132 F177A84-Q124 HydrophobicContact CB-CB 3.73Å; A84-Q124 HydrophobicContact CB-CG 4.28Å; T85-Q124 PolarHBondContact O-NE2 3.02Å; T85-Q124 PolarHBondContact O-OE1 2.93Å; Q124-Q129 PolarHBondContact NE2-O 2.82Å; Q124-V132 HydrophobicContact CB-CG1 4.26Å; Q124-V132 HydrophobicContact CG-CG1 4.26Å; Q124-F177 WeakPolarHBondContact O-CD2 3.33Å
125S95.7Very high95.2Very high5 Ų540.8 Ų40.84%0.03520%0.204CC..  trans-68.8129.5170176.30000109.9H127 R128 V131S125-H127 PolarHBondContact O-N 2.99Å; S125-H127 PolarHBondContact OG-N 2.83Å; S125-R128 WeakPolarHBondContact CB-O 3.31Å; S125-R128 PolarHBondContact OG-N 2.89Å; S125-V131 PolarHBondContact N-O 2.89Å
126P91.4Very high95.4Very high99 Ų9940.8 Ų40.864%0.64320%0.204SC*.SBendtrans-71.1-10.1173.431-34.3000112.7F177P126-F177 HydrophobicContact CG-CB 4.21Å
127H91.7Very high95.6Very high80 Ų8040.8 Ų40.837%0.3720%0.2SC..SBendtrans-99.4-28.6-177.4-52.8-70.7000113.5S125 D179 E180S125-H127 PolarHBondContact O-N 2.99Å; S125-H127 PolarHBondContact OG-N 2.83Å; H127-D179 VanDerWaalsContact NE2-CA 3.34Å; H127-D179 WeakPolarHBondContact NE2-CA 3.39Å; H127-E180 HydrophobicContact CB-CG 3.42Å; H127-E180 VanDerWaalsContact CB-CG 3.42Å; H127-E180 PolarHBondContact CD2-N 3.02Å
128R94Very high95.7Very high118 Ų11840.7 Ų40.745%0.44519%0.193SC..  trans-140.4112.7178.7-70.4-173.565.4-159.7-9.9109.7S125 T130 V131 D145S125-R128 WeakPolarHBondContact CB-O 3.31Å; S125-R128 PolarHBondContact OG-N 2.89Å; R128-T130 PolarHBondContact O-N 2.92Å; R128-V131 HydrophobicContact CB-CB 4.14Å; R128-V131 HydrophobicContact CB-CG2 3.78Å; R128-V131 PolarHBondContact O-N 3.47Å; R128-D145 IonicContact CZ-OD2 3.65Å; R128-D145 IonicContact NH1-OD2 3.82Å; R128-D145 IonicContact NH2-OD2 2.64Å; R128-D145 PolarHBondContact NH2-OD2 2.76Å
129Q93.4Very high95.7Very high89 Ų8937.3 Ų37.342%0.41618%0.175SC..THydrogen-bonded Turntrans-65.1-26.2-174.5-62.5-174.85.300113.4M86 Q124 V131M86-Q129 HydrophobicContact CG-CB 4.13Å; Q124-Q129 PolarHBondContact NE2-O 2.82Å; Q129-V131 PolarHBondContact O-N 2.92Å
130T94.3Very high95.8Very high16 Ų1638.1 Ų38.110%0.09818%0.18CC..THydrogen-bonded Turntrans-74.4-13.4176.770.60000112.6M86 R128 D145 L146 E147M86-T130 HydrophobicContact SD-CG2 4.01Å; R128-T130 PolarHBondContact O-N 2.92Å; T130-D145 VanDerWaalsContact CB-OD1 3.29Å; T130-D145 WeakPolarHBondContact CB-OD1 3.33Å; T130-D145 PolarHBondContact OG1-OD1 3.25Å; T130-L146 WeakPolarHBondContact O-CB 3.27Å; T130-L146 WeakPolarHBondContact O-CG 3.3Å; T130-L146 PolarHBondContact O-N 3.19Å; T130-E147 VanDerWaalsContact CG2-CD 3.42Å; T130-E147 HydrophobicContact CG2-CG 3.76Å
131V96.1Very high95.9Very high10 Ų1037 Ų376%0.06117%0.174CC..EExtended strand (participates in β ladder)trans-98.6125.7-173178.20000111.1S125 R128 Q129 V143 W144 D145 I153 F177S125-V131 PolarHBondContact N-O 2.89Å; R128-V131 HydrophobicContact CB-CB 4.14Å; R128-V131 HydrophobicContact CB-CG2 3.78Å; R128-V131 PolarHBondContact O-N 3.47Å; Q129-V131 PolarHBondContact O-N 2.92Å; V131-V143 HydrophobicContact CG1-CG1 3.55Å; V131-W144 CarbonylContact C-O 3.51Å; V131-W144 VanDerWaalsContact CA-O 3.25Å; V131-W144 WeakPolarHBondContact CA-O 3.08Å; V131-D145 HydrophobicContact CG2-CB 4.31Å; V131-I153 HydrophobicContact CG1-CD1 4.45Å; V131-F177 HydrophobicContact CG1-CE1 4.39Å
132V97.5Very high96Very high0 Ų036 Ų360%017%0.17CC..EExtended strand (participates in β ladder)trans-128.8147175.5-60.50000111.2I92 V100 M122 R123 Q124 V143 W144 L146I92-V132 HydrophobicContact CD1-CG1 4.21Å; I92-V132 HydrophobicContact CG2-CG1 4.39Å; V100-V132 HydrophobicContact CG1-CG2 4.24Å; M122-V132 HydrophobicContact CG-CB 4.22Å; M122-V132 HydrophobicContact SD-CB 4.16Å; M122-V132 HydrophobicContact SD-CG1 4.13Å; R123-V132 CarbonylContact O-C 3.4Å; R123-V132 WeakPolarHBondContact O-CA 3.48Å; Q124-V132 HydrophobicContact CB-CG1 4.26Å; Q124-V132 HydrophobicContact CG-CG1 4.26Å; V132-V143 CarbonylContact O-C 3.55Å; V132-V143 WeakPolarHBondContact O-CA 3.48Å; V132-W144 HydrophobicContact CG2-CB 3.9Å; V132-W144 HydrophobicContact CG2-CG 4.37Å; V132-W144 PolarHBondContact N-O 3.03Å; V132-W144 PolarHBondContact O-N 2.87Å; V132-L146 HydrophobicContact CG1-CD1 4.05Å; V132-L146 HydrophobicContact CG2-CD1 4.22Å; V132-L146 HydrophobicContact CG2-CD2 4.07Å; V132-L146 HydrophobicContact CG2-CG 4.14Å
133A98Very high96Very high0 Ų035.7 Ų35.70%017%0.169CC..EExtended strand (participates in β ladder)trans-114.5139.1173.900000110.8M122 R123 L141 K142 V143 I175 F177 I183M122-A133 CarbonylContact C-O 3.59Å; M122-A133 WeakPolarHBondContact CA-O 3.13Å; R123-A133 PolarHBondContact N-O 3.3Å; R123-A133 PolarHBondContact O-N 3.47Å; A133-L141 HydrophobicContact CB-CD1 3.91Å; A133-K142 CarbonylContact C-O 3.6Å; A133-K142 WeakPolarHBondContact CA-O 3.29Å; A133-V143 HydrophobicContact CB-CG2 4.4Å; A133-I175 HydrophobicContact CB-CD1 4.23Å; A133-I175 HydrophobicContact CB-CG2 3.96Å; A133-F177 HydrophobicContact CB-CE1 4.39Å; A133-F177 HydrophobicContact CB-CE2 3.69Å; A133-F177 HydrophobicContact CB-CZ 3.41Å; A133-F177 VanDerWaalsContact CB-CZ 3.41Å; A133-I183 HydrophobicContact CB-CD1 4.34Å
134T98.2Very high96Very high0 Ų033 Ų330%016%0.159CC..EExtended strand (participates in β ladder)trans-126.1150.4179.759.10000110.9V100 A115 R121 M122 L141 K142 W144 I175V100-T134 HydrophobicContact CG2-CG2 3.87Å; A115-T134 HydrophobicContact CB-CG2 3.95Å; R121-T134 WeakPolarHBondContact O-CA 3.48Å; M122-T134 HydrophobicContact CB-CG2 4.08Å; M122-T134 HydrophobicContact CG-CG2 3.99Å; T134-L141 WeakPolarHBondContact O-CA 3.49Å; T134-K142 PolarHBondContact N-O 2.86Å; T134-K142 PolarHBondContact O-N 3.17Å; T134-W144 PolarHBondContact OG1-NE1 3.45Å; T134-I175 VanDerWaalsContact C-CD1 3.46Å
135G97.7Very high95.9Very high0 Ų031.4 Ų31.40%015%0.152CC..EExtended strand (participates in β ladder)trans-167.8156.9174.800000112.1N120 R121N120-G135 PolarHBondContact N-O 2.81Å; R121-G135 PolarHBondContact N-O 3Å; R121-G135 PolarHBondContact O-N 2.81Å
136G97.7Very high95.9Very high0 Ų031.3 Ų31.30%015%0.151CC..EExtended strand (participates in β ladder)trans-168.7-158.8-169.800000115.5D118 N139 W171 V172D118-G136 CarbonylContact O-C 3.51Å; D118-G136 WeakPolarHBondContact O-CA 3.24Å; G136-N139 CarbonylContact C-O 3.56Å; G136-N139 PolarHBondContact N-O 2.67Å; G136-W171 CarbonylContact O-C 3.5Å; G136-W171 WeakPolarHBondContact O-CA 3.49Å; G136-V172 PolarHBondContact O-N 3.1Å
137K96.8Very high95.9Very high91 Ų9132.6 Ų32.640%0.39615%0.148SC..BIsolated β-bridgetrans-80.3126.1176.5-165.2-176.3177.5-170.30108.8D118 N139 W171D118-K137 HydrophobicContact CB-CB 4.04Å; D118-K137 PolarHBondContact O-N 2.86Å; K137-N139 PolarHBondContact O-N 3.04Å; K137-W171 HydrophobicContact CB-CD2 4.27Å; K137-W171 HydrophobicContact CB-CG 4.16Å; K137-W171 HydrophobicContact CD-CD2 4.34Å; K137-W171 HydrophobicContact CD-CH2 4.24Å; K137-W171 HydrophobicContact CD-CZ2 3.92Å; K137-W171 HydrophobicContact CG-CD2 3.86Å; K137-W171 HydrophobicContact CG-CE3 4.38Å; K137-W171 HydrophobicContact CG-CG 4.06Å; K137-W171 HydrophobicContact CG-CZ2 4.26Å
138E95.7Very high95.7Very high91 Ų9132 Ų3243%0.42515%0.152SC..SBendtrans54.114.5-173.3-61.2-56.9133.100114.5R167 V170E138-R167 IonicContact OE1-NH1 3.12Å; E138-R167 IonicContact OE2-CZ 2.81Å; E138-R167 IonicContact OE2-NH1 3.11Å; E138-R167 PolarHBondContact OE2-NH1 2.75Å; E138-R167 IonicContact OE2-NH2 3.91Å; E138-R167 PolarHBondContact OE2-NH2 2.76Å; E138-V170 PolarHBondContact N-O 2.9Å; E138-V170 PolarHBondContact OE1-N 3.05Å
139N95.3Very high94.9Very high5 Ų529.5 Ų29.53%0.02716%0.164CC..  trans-128.193.4-178.8-1683.1000107.1A115 N116 V117 G136 K137 K142A115-N139 PolarHBondContact O-ND2 3.1Å; A115-N139 PolarHBondContact O-OD1 3.28Å; N116-N139 PolarHBondContact O-ND2 2.93Å; N116-N139 VanDerWaalsContact O-ND2 3.12Å; V117-N139 PolarHBondContact O-ND2 2.82Å; G136-N139 CarbonylContact C-O 3.56Å; G136-N139 PolarHBondContact N-O 2.67Å; K137-N139 PolarHBondContact O-N 3.04Å; N139-K142 VanDerWaalsContact OD1-CE 3.27Å; N139-K142 WeakPolarHBondContact OD1-CE 3.32Å; N139-K142 PolarHBondContact OD1-NZ 2.81Å
140D96.3Very high94.6Very high18 Ų1826.7 Ų26.710%0.09616%0.159CC..  trans-68.5175.6-179.4-150.2-15.9000111K142 A156 V170 Y195D140-K142 PolarHBondContact O-N 2.84Å; D140-A156 HydrophobicContact CB-CB 4Å; D140-V170 HydrophobicContact CB-CG1 3.84Å; D140-Y195 PolarHBondContact OD1-OH 3.47Å
141L97.9Very high94.5Very high0 Ų034 Ų340%019%0.189CC..  trans-53.2125.3-179.9177.266.7000112A133 T134 V143 F154 A156 I175 I183 T185 Y195A133-L141 HydrophobicContact CB-CD1 3.91Å; T134-L141 WeakPolarHBondContact O-CA 3.49Å; L141-V143 HydrophobicContact CG-CG2 4.46Å; L141-F154 HydrophobicContact CD2-CE1 4.25Å; L141-A156 HydrophobicContact CB-CB 3.94Å; L141-A156 VanDerWaalsContact O-CB 3.23Å; L141-A156 WeakPolarHBondContact O-CB 3.49Å; L141-A156 PolarHBondContact O-N 3.4Å; L141-I175 HydrophobicContact CD1-CD1 3.99Å; L141-I175 HydrophobicContact CD1-CG1 4.39Å; L141-I175 HydrophobicContact CD1-CG2 4.1Å; L141-I183 HydrophobicContact CD1-CG2 4.06Å; L141-I183 HydrophobicContact CD2-CB 4.02Å; L141-I183 HydrophobicContact CD2-CD1 4.35Å; L141-I183 HydrophobicContact CD2-CG2 3.75Å; L141-T185 HydrophobicContact CB-CG2 4.12Å; L141-T185 HydrophobicContact CD1-CG2 4.08Å; L141-T185 HydrophobicContact CD2-CG2 4.08Å; L141-T185 HydrophobicContact CG-CG2 4.32Å; L141-Y195 HydrophobicContact CD2-CD2 3.62Å; L141-Y195 HydrophobicContact CD2-CE2 4.14Å; L141-Y195 HydrophobicContact CD2-CG 3.84Å
142K97.2Very high94.5Very high16 Ų1635.7 Ų35.77%0.0720%0.2CC..EExtended strand (participates in β ladder)trans-123.5144.9165.8-62.8175.6-170.3166.60109.8A115 N116 A133 T134 N139 D140 W144 F154 T155A115-K142 PolarHBondContact O-NZ 2.88Å; N116-K142 PolarHBondContact ND2-NZ 2.64Å; N116-K142 PolarHBondContact OD1-NZ 3.45Å; A133-K142 CarbonylContact C-O 3.6Å; A133-K142 WeakPolarHBondContact CA-O 3.29Å; T134-K142 PolarHBondContact N-O 2.86Å; T134-K142 PolarHBondContact O-N 3.17Å; N139-K142 VanDerWaalsContact OD1-CE 3.27Å; N139-K142 WeakPolarHBondContact OD1-CE 3.32Å; N139-K142 PolarHBondContact OD1-NZ 2.81Å; D140-K142 PolarHBondContact O-N 2.84Å; K142-W144 HydrophobicContact CB-CZ2 3.95Å; K142-W144 HydrophobicContact CD-CH2 4.37Å; K142-W144 HydrophobicContact CD-CZ2 3.56Å; K142-W144 HydrophobicContact CG-CZ2 4.4Å; K142-F154 CarbonylContact C-O 3.5Å; K142-F154 VanDerWaalsContact CA-O 3.29Å; K142-F154 WeakPolarHBondContact CA-O 3.37Å; K142-T155 HydrophobicContact CG-CG2 4.15Å
143V97.2Very high94.4Very high0 Ų039.5 Ų39.50%022%0.22CC..EExtended strand (participates in β ladder)trans-122135176-1670000108.1V131 V132 A133 L141 P152 I153 F154 I183 I197V131-V143 HydrophobicContact CG1-CG1 3.55Å; V132-V143 CarbonylContact O-C 3.55Å; V132-V143 WeakPolarHBondContact O-CA 3.48Å; A133-V143 HydrophobicContact CB-CG2 4.4Å; L141-V143 HydrophobicContact CG-CG2 4.46Å; V143-P152 CarbonylContact O-C 3.51Å; V143-P152 VanDerWaalsContact O-CA 3.29Å; V143-P152 WeakPolarHBondContact O-CA 3.31Å; V143-P152 WeakPolarHBondContact O-CB 3.48Å; V143-I153 HydrophobicContact CB-CD1 4.35Å; V143-I153 HydrophobicContact CB-CG1 3.95Å; V143-I153 HydrophobicContact CG1-CD1 3.8Å; V143-I153 HydrophobicContact CG1-CG1 3.91Å; V143-I153 VanDerWaalsContact O-CG1 3.28Å; V143-I153 WeakPolarHBondContact O-CG1 3.31Å; V143-I153 PolarHBondContact O-N 2.88Å; V143-F154 HydrophobicContact CB-CB 3.95Å; V143-F154 HydrophobicContact CG2-CB 3.98Å; V143-F154 HydrophobicContact CG2-CD1 4.09Å; V143-F154 HydrophobicContact CG2-CG 4.42Å; V143-F154 PolarHBondContact N-O 3.49Å; V143-F154 PolarHBondContact O-N 2.93Å; V143-I183 HydrophobicContact CG1-CD1 4.46Å; V143-I183 HydrophobicContact CG2-CD1 3.44Å; V143-I183 VanDerWaalsContact CG2-CD1 3.44Å; V143-I197 HydrophobicContact CG2-CD1 4.32Å
144W96.5Very high94.3Very high10 Ų1040 Ų404%0.03822%0.222CC..EExtended strand (participates in β ladder)trans-124133.8-174.4-49.984.2000107.8V113 N114 A115 V131 V132 T134 K142 P152V113-W144 HydrophobicContact CB-CE3 4.02Å; V113-W144 HydrophobicContact CB-CZ3 4.16Å; V113-W144 HydrophobicContact CG2-CD2 4.07Å; V113-W144 HydrophobicContact CG2-CE3 3.79Å; V113-W144 HydrophobicContact CG2-CG 4.46Å; V113-W144 HydrophobicContact CG2-CZ3 4.29Å; N114-W144 WeakPolarHBondContact O-CH2 3.49Å; A115-W144 VanDerWaalsContact CA-CZ2 3.46Å; A115-W144 HydrophobicContact CB-CZ2 3.73Å; V131-W144 CarbonylContact C-O 3.51Å; V131-W144 VanDerWaalsContact CA-O 3.25Å; V131-W144 WeakPolarHBondContact CA-O 3.08Å; V132-W144 HydrophobicContact CG2-CB 3.9Å; V132-W144 HydrophobicContact CG2-CG 4.37Å; V132-W144 PolarHBondContact N-O 3.03Å; V132-W144 PolarHBondContact O-N 2.87Å; T134-W144 PolarHBondContact OG1-NE1 3.45Å; K142-W144 HydrophobicContact CB-CZ2 3.95Å; K142-W144 HydrophobicContact CD-CH2 4.37Å; K142-W144 HydrophobicContact CD-CZ2 3.56Å; K142-W144 HydrophobicContact CG-CZ2 4.4Å; W144-P152 HydrophobicContact CD2-CB 3.99Å; W144-P152 HydrophobicContact CE3-CB 3.84Å; W144-P152 HydrophobicContact CE3-CG 4.5Å; W144-P152 HydrophobicContact CH2-CB 3.9Å; W144-P152 HydrophobicContact CH2-CG 3.94Å; W144-P152 HydrophobicContact CZ2-CB 4.02Å; W144-P152 HydrophobicContact CZ2-CG 4.42Å; W144-P152 HydrophobicContact CZ3-CB 3.83Å; W144-P152 VanDerWaalsContact CZ3-CD 3.47Å; W144-P152 HydrophobicContact CZ3-CG 4Å
145D95.4Very high94.2Very high12 Ų1242.2 Ų42.26%0.06424%0.236CC..EExtended strand (participates in β ladder)trans-99.9112.8158.8-173.1-15.1000106R128 T130 V131 E147 S148 I153R128-D145 IonicContact CZ-OD2 3.65Å; R128-D145 IonicContact NH1-OD2 3.82Å; R128-D145 IonicContact NH2-OD2 2.64Å; R128-D145 PolarHBondContact NH2-OD2 2.76Å; T130-D145 VanDerWaalsContact CB-OD1 3.29Å; T130-D145 WeakPolarHBondContact CB-OD1 3.33Å; T130-D145 PolarHBondContact OG1-OD1 3.25Å; V131-D145 HydrophobicContact CG2-CB 4.31Å; D145-E147 PolarHBondContact O-N 2.78Å; D145-E147 PolarHBondContact OD1-N 3.18Å; D145-S148 WeakPolarHBondContact CB-OG 3.36Å; D145-S148 PolarHBondContact O-N 3.35Å; D145-S148 PolarHBondContact OD2-OG 3.28Å; D145-I153 HydrophobicContact CB-CD1 4.39Å; D145-I153 HydrophobicContact CB-CG2 3.83Å
146L94.7Very high94.2Very high3 Ų342.7 Ų42.72%0.01624%0.239CC..THydrogen-bonded Turntrans-64.1-21.7-173.9-63.5170.7000110.8I92 V100 V102 Q111 V113 T130 V132I92-L146 HydrophobicContact CD1-CD1 3.55Å; I92-L146 HydrophobicContact CG1-CD1 3.94Å; I92-L146 HydrophobicContact CG2-CD1 3.95Å; V100-L146 HydrophobicContact CG1-CD2 4.16Å; V102-L146 HydrophobicContact CG2-CB 4.38Å; V102-L146 HydrophobicContact CG2-CD1 3.84Å; V102-L146 HydrophobicContact CG2-CD2 4.4Å; V102-L146 HydrophobicContact CG2-CG 4.43Å; Q111-L146 PolarHBondContact NE2-O 3.13Å; Q111-L146 PolarHBondContact OE1-O 2.84Å; V113-L146 HydrophobicContact CG2-CD2 4.11Å; T130-L146 WeakPolarHBondContact O-CB 3.27Å; T130-L146 WeakPolarHBondContact O-CG 3.3Å; T130-L146 PolarHBondContact O-N 3.19Å; V132-L146 HydrophobicContact CG1-CD1 4.05Å; V132-L146 HydrophobicContact CG2-CD1 4.22Å; V132-L146 HydrophobicContact CG2-CD2 4.07Å; V132-L146 HydrophobicContact CG2-CG 4.14Å
147E91.7Very high94.1Very high126 Ų12650 Ų5059%0.58927%0.267SS*.THydrogen-bonded Turntrans-84.8-12.9175.1-63.4-174.2159.300113.5T130 D145 G149T130-E147 VanDerWaalsContact CG2-CD 3.42Å; T130-E147 HydrophobicContact CG2-CG 3.76Å; D145-E147 PolarHBondContact O-N 2.78Å; D145-E147 PolarHBondContact OD1-N 3.18Å; E147-G149 PolarHBondContact O-N 3.23Å
148S87.1Confident93.9Very high66 Ų6647 Ų4746%0.46226%0.256SS..SBendtrans-91.535.1-168.5-66.60000115.5D145 G150D145-S148 WeakPolarHBondContact CB-OG 3.36Å; D145-S148 PolarHBondContact O-N 3.35Å; D145-S148 PolarHBondContact OD2-OG 3.28Å; S148-G150 PolarHBondContact O-N 2.85Å
149G78.1Confident93.9Very high67 Ų6743.8 Ų43.869%0.69124%0.242SC*.THydrogen-bonded Turntrans7326.9166.900000115.8E147 K151E147-G149 PolarHBondContact O-N 3.23Å; G149-K151 PolarHBondContact O-N 2.9Å
150G87Confident93.7Very high30 Ų3052.7 Ų52.731%0.30928%0.275SS..THydrogen-bonded Turntrans84.4-4.1161.800000117.5S148S148-G150 PolarHBondContact O-N 2.85Å
151K93Very high93.4Very high169 Ų16955.5 Ų55.574%0.73530%0.295SS*.SBendtrans-91.5146.1170.1-68.8-178.1-177173.90110.6G149 I153G149-K151 PolarHBondContact O-N 2.9Å; K151-I153 PolarHBondContact O-N 2.87Å
152P95.1Very high93Very high45 Ų4558.2 Ų58.229%0.29231%0.31SS..EExtended strand (participates in β ladder)trans-67.7133.7174.328-31.6000109.8V143 W144 F154 T155V143-P152 CarbonylContact O-C 3.51Å; V143-P152 VanDerWaalsContact O-CA 3.29Å; V143-P152 WeakPolarHBondContact O-CA 3.31Å; V143-P152 WeakPolarHBondContact O-CB 3.48Å; W144-P152 HydrophobicContact CD2-CB 3.99Å; W144-P152 HydrophobicContact CE3-CB 3.84Å; W144-P152 HydrophobicContact CE3-CG 4.5Å; W144-P152 HydrophobicContact CH2-CB 3.9Å; W144-P152 HydrophobicContact CH2-CG 3.94Å; W144-P152 HydrophobicContact CZ2-CB 4.02Å; W144-P152 HydrophobicContact CZ2-CG 4.42Å; W144-P152 HydrophobicContact CZ3-CB 3.83Å; W144-P152 VanDerWaalsContact CZ3-CD 3.47Å; W144-P152 HydrophobicContact CZ3-CG 4Å; P152-F154 PolarHBondContact O-N 2.84Å; P152-T155 WeakPolarHBondContact CG-OG1 3.49Å
153I95Very high92.6Very high81 Ų8167.2 Ų67.242%0.41535%0.345SS..EExtended strand (participates in β ladder)trans-69.6-24.8173.158.9168.7000111.4V131 V143 D145 K151V131-I153 HydrophobicContact CG1-CD1 4.45Å; V143-I153 HydrophobicContact CB-CD1 4.35Å; V143-I153 HydrophobicContact CB-CG1 3.95Å; V143-I153 HydrophobicContact CG1-CD1 3.8Å; V143-I153 HydrophobicContact CG1-CG1 3.91Å; V143-I153 VanDerWaalsContact O-CG1 3.28Å; V143-I153 WeakPolarHBondContact O-CG1 3.31Å; V143-I153 PolarHBondContact O-N 2.88Å; D145-I153 HydrophobicContact CB-CD1 4.39Å; D145-I153 HydrophobicContact CB-CG2 3.83Å; K151-I153 PolarHBondContact O-N 2.87Å
154F95.9Very high92.3Very high11 Ų1172 Ų725%0.04837%0.37CS..EExtended strand (participates in β ladder)trans-144.8138.4175.5-178.6-91.3000111.3L141 K142 V143 P152 A156 Y195 I197L141-F154 HydrophobicContact CD2-CE1 4.25Å; K142-F154 CarbonylContact C-O 3.5Å; K142-F154 VanDerWaalsContact CA-O 3.29Å; K142-F154 WeakPolarHBondContact CA-O 3.37Å; V143-F154 HydrophobicContact CB-CB 3.95Å; V143-F154 HydrophobicContact CG2-CB 3.98Å; V143-F154 HydrophobicContact CG2-CD1 4.09Å; V143-F154 HydrophobicContact CG2-CG 4.42Å; V143-F154 PolarHBondContact N-O 3.49Å; V143-F154 PolarHBondContact O-N 2.93Å; P152-F154 PolarHBondContact O-N 2.84Å; F154-A156 HydrophobicContact CE1-CB 3.95Å; F154-Y195 HydrophobicContact CE1-CD1 4.13Å; F154-Y195 HydrophobicContact CE1-CG 4.5Å; F154-Y195 AromaticContact CZ-CD1 3.97Å; F154-Y195 HydrophobicContact CZ-CD1 3.97Å; F154-I197 HydrophobicContact CB-CG2 4.06Å; F154-I197 HydrophobicContact CD2-CG2 4.26Å; F154-I197 HydrophobicContact CG-CG2 4.38Å
155T96.5Very high92Very high46 Ų4676.3 Ų76.328%0.28240%0.402SS..EExtended strand (participates in β ladder)trans-133.2116.6172-58.80000108.4K142 P152 R202K142-T155 HydrophobicContact CG-CG2 4.15Å; P152-T155 WeakPolarHBondContact CG-OG1 3.49Å; T155-R202 WeakPolarHBondContact O-CD 3.2Å
156A97.4Very high91.8Very high9 Ų980.7 Ų80.77%0.07442%0.424CS..PPolyproline II helixtrans-62.6144.9175.600000110.9D140 L141 F154 Y195 R202D140-A156 HydrophobicContact CB-CB 4Å; L141-A156 HydrophobicContact CB-CB 3.94Å; L141-A156 VanDerWaalsContact O-CB 3.23Å; L141-A156 WeakPolarHBondContact O-CB 3.49Å; L141-A156 PolarHBondContact O-N 3.4Å; F154-A156 HydrophobicContact CE1-CB 3.95Å; A156-Y195 HydrophobicContact CB-CD1 4.21Å; A156-Y195 HydrophobicContact CB-CE1 3.6Å; A156-R202 CarbonylContact C-O 3.58Å; A156-R202 VanDerWaalsContact CA-O 3.28Å; A156-R202 WeakPolarHBondContact CA-O 3.22Å
157R95.3Very high91.8Very high154 Ų15487.1 Ų87.158%0.58145%0.448SS*.PPolyproline II helixtrans-103.3138.1164.2-75.8-176.1-180-175.72107.2R202 R203R157-R202 HydrophobicContact CB-CB 3.98Å; R157-R202 HydrophobicContact CG-CB 3.77Å; R157-R202 PolarHBondContact N-O 3.25Å; R157-R203 HydrophobicContact CB-CG 4.19Å
158N94.4Very high91.8Very high29 Ų2982 Ų8216%0.15543%0.426CS..PPolyproline II helixtrans-53.9155.1174.1-161.87.2000111.1V168 V170 R203N158-V168 PolarHBondContact ND2-O 2.87Å; N158-V170 HydrophobicContact CB-CG2 4.11Å; N158-V170 WeakPolarHBondContact ND2-CG2 3.33Å; N158-V170 WeakPolarHBondContact OD1-CG2 3.29Å; N158-R203 PolarHBondContact O-NE 2.95Å
159V94.4Very high92.1Very high23 Ų2381.2 Ų81.214%0.13942%0.419CS..PPolyproline II helixtrans-59167174.6-63.80000110.7V168 P204V159-V168 HydrophobicContact CG2-CB 3.58Å; V159-V168 HydrophobicContact CG2-CG1 3.85Å; V159-V168 HydrophobicContact CG2-CG2 3.66Å; V159-P204 HydrophobicContact CG1-CG 3.54Å
160R92.4Very high93Very high192 Ų19278.1 Ų78.173%0.72539%0.387SS*.PPolyproline II helixtrans-61.3156172.9-70.1179.8177.1150.9-0.6109.4R203R160-R203 VanDerWaalsContact CG-NH1 3.31Å
161C90.1Very high93.4Very high76 Ų7679.8 Ų79.851%0.51438%0.384SS..PPolyproline II helixtrans-53.7152.9169.4-61.40000110.4L166C161-L166 CarbonylContact C-O 3.43Å; C161-L166 WeakPolarHBondContact CA-O 3.47Å; C161-L166 VanDerWaalsContact CB-O 3.24Å; C161-L166 WeakPolarHBondContact CB-O 3.44Å
162D88.6Confident93.7Very high58 Ų5871.7 Ų71.731%0.3135%0.349SS..  trans-70.5-174.1177.567.411.9000112L164 S165 L166 V168D162-L164 PolarHBondContact O-N 3Å; D162-L164 WeakPolarHBondContact OD1-CA 3.19Å; D162-L164 WeakPolarHBondContact OD1-CB 3.33Å; D162-L164 PolarHBondContact OD1-N 3.44Å; D162-S165 PolarHBondContact O-N 3Å; D162-S165 PolarHBondContact OD1-N 2.95Å; D162-L166 PolarHBondContact N-O 2.85Å; D162-L166 WeakPolarHBondContact OD1-CB 3.5Å; D162-L166 PolarHBondContact OD1-N 2.87Å; D162-V168 HydrophobicContact CB-CG2 4.35Å
163Y88.4Confident93.7Very high205 Ų20572.4 Ų72.480%0.80435%0.345SS*.THydrogen-bonded Turntrans-64.7-17.3179.868-84.4000113.6S165Y163-S165 VanDerWaalsContact C-N 3.33Å
164L91.3Very high93.8Very high101 Ų10168.5 Ų68.553%0.52933%0.325SS..THydrogen-bonded Turntrans-93.79.1174.1-62.2176.6000112.1D162 L166D162-L164 PolarHBondContact O-N 3Å; D162-L164 WeakPolarHBondContact OD1-CA 3.19Å; D162-L164 WeakPolarHBondContact OD1-CB 3.33Å; D162-L164 PolarHBondContact OD1-N 3.44Å; L164-L166 HydrophobicContact CB-CD1 4.09Å; L164-L166 HydrophobicContact CB-CG 4.02Å; L164-L166 HydrophobicContact CD1-CD1 4.33Å; L164-L166 PolarHBondContact O-N 3.03Å
165S89.3Confident93.9Very high100 Ų10068 Ų6870%0.69932%0.323SS*.SBendtrans60.719.8-173.1-55.70000114.1D162 Y163D162-S165 PolarHBondContact O-N 3Å; D162-S165 PolarHBondContact OD1-N 2.95Å; Y163-S165 VanDerWaalsContact C-N 3.33Å
166L92.7Very high93.9Very high103 Ų10366 Ų6654%0.53931%0.311SS..PPolyproline II helixtrans-86.8146.5177.4-61.6175000111C161 D162 L164 V168C161-L166 CarbonylContact C-O 3.43Å; C161-L166 WeakPolarHBondContact CA-O 3.47Å; C161-L166 VanDerWaalsContact CB-O 3.24Å; C161-L166 WeakPolarHBondContact CB-O 3.44Å; D162-L166 PolarHBondContact N-O 2.85Å; D162-L166 WeakPolarHBondContact OD1-CB 3.5Å; D162-L166 PolarHBondContact OD1-N 2.87Å; L164-L166 HydrophobicContact CB-CD1 4.09Å; L164-L166 HydrophobicContact CB-CG 4.02Å; L164-L166 HydrophobicContact CD1-CD1 4.33Å; L164-L166 PolarHBondContact O-N 3.03Å; L166-V168 PolarHBondContact O-N 3.08Å
167R93.7Very high93.9Very high138 Ų13866.1 Ų66.152%0.52131%0.31SS..PPolyproline II helixtrans-67.9121.5174.6179.7179.7176.6-85.57.9109.2E138E138-R167 IonicContact OE1-NH1 3.12Å; E138-R167 IonicContact OE2-CZ 2.81Å; E138-R167 IonicContact OE2-NH1 3.11Å; E138-R167 PolarHBondContact OE2-NH1 2.75Å; E138-R167 IonicContact OE2-NH2 3.91Å; E138-R167 PolarHBondContact OE2-NH2 2.76Å
168V92.8Very high93.9Very high19 Ų1959.1 Ų59.112%0.11528%0.284CS..PPolyproline II helixtrans-65.6124.5173.4-177.70000109N158 V159 D162 L166N158-V168 PolarHBondContact ND2-O 2.87Å; V159-V168 HydrophobicContact CG2-CB 3.58Å; V159-V168 HydrophobicContact CG2-CG1 3.85Å; V159-V168 HydrophobicContact CG2-CG2 3.66Å; D162-V168 HydrophobicContact CB-CG2 4.35Å; L166-V168 PolarHBondContact O-N 3.08Å
169P93.7Very high93.8Very high49 Ų4959 Ų5932%0.31828%0.284SS..PPolyproline II helixtrans-66.7149.3-179.428.2-35.3000111.2Y189P169-Y189 HydrophobicContact CB-CD2 4.32Å; P169-Y189 HydrophobicContact CB-CE2 3.55Å; P169-Y189 HydrophobicContact CG-CD1 4.48Å; P169-Y189 HydrophobicContact CG-CD2 3.96Å; P169-Y189 HydrophobicContact CG-CE1 4.16Å; P169-Y189 HydrophobicContact CG-CE2 3.61Å; P169-Y189 HydrophobicContact CG-CG 4.39Å
170V95.3Very high93.8Very high2 Ų263.5 Ų63.51%0.01230%0.303CS..  trans-112123.1-178178.60000108.9E138 D140 N158 V172E138-V170 PolarHBondContact N-O 2.9Å; E138-V170 PolarHBondContact OE1-N 3.05Å; D140-V170 HydrophobicContact CB-CG1 3.84Å; N158-V170 HydrophobicContact CB-CG2 4.11Å; N158-V170 WeakPolarHBondContact ND2-CG2 3.33Å; N158-V170 WeakPolarHBondContact OD1-CG2 3.29Å; V170-V172 HydrophobicContact CG1-CG2 4.45Å
171W97.1Very high93.9Very high65 Ų6557 Ų5725%0.24628%0.283CS..BIsolated β-bridgetrans-149.783.5171.9-159.9-8.3000111.1N120 G136 K137 R173 T187 A188 Y189N120-W171 PolarHBondContact ND2-NE1 3.42Å; G136-W171 CarbonylContact O-C 3.5Å; G136-W171 WeakPolarHBondContact O-CA 3.49Å; K137-W171 HydrophobicContact CB-CD2 4.27Å; K137-W171 HydrophobicContact CB-CG 4.16Å; K137-W171 HydrophobicContact CD-CD2 4.34Å; K137-W171 HydrophobicContact CD-CH2 4.24Å; K137-W171 HydrophobicContact CD-CZ2 3.92Å; K137-W171 HydrophobicContact CG-CD2 3.86Å; K137-W171 HydrophobicContact CG-CE3 4.38Å; K137-W171 HydrophobicContact CG-CG 4.06Å; K137-W171 HydrophobicContact CG-CZ2 4.26Å; W171-R173 VanDerWaalsContact CE2-CZ 3.49Å; W171-R173 PolarHBondContact O-N 3.39Å; W171-T187 CarbonylContact O-C 3.56Å; W171-T187 WeakPolarHBondContact O-CA 3.26Å; W171-A188 HydrophobicContact CB-CB 3.74Å; W171-A188 HydrophobicContact CD2-CB 3.72Å; W171-A188 HydrophobicContact CE3-CB 3.83Å; W171-A188 HydrophobicContact CG-CB 3.65Å; W171-A188 PolarHBondContact O-N 2.64Å; W171-Y189 HydrophobicContact CB-CD2 4.17Å; W171-Y189 HydrophobicContact CB-CE2 3.58Å
172V97.7Very high94.1Very high0 Ų054.7 Ų54.70%027%0.267CS..EExtended strand (participates in β ladder)trans-68.5126.2175.81790000108.7G136 V170 I175 T185G136-V172 PolarHBondContact O-N 3.1Å; V170-V172 HydrophobicContact CG1-CG2 4.45Å; V172-I175 HydrophobicContact CG1-CD1 4.41Å; V172-I175 HydrophobicContact CG1-CG1 3.87Å; V172-T185 HydrophobicContact CG1-CG2 4.27Å
173R96.5Very high94.5Very high59 Ų5951.9 Ų51.922%0.22325%0.252CS..EExtended strand (participates in β ladder)trans-103.3-37.2179.9-160.264.459.5167.46.5112.3N120 W171 C186 F216 T217N120-R173 PolarHBondContact ND2-NH1 2.98Å; N120-R173 VanDerWaalsContact ND2-NH1 3.1Å; W171-R173 VanDerWaalsContact CE2-CZ 3.49Å; W171-R173 PolarHBondContact O-N 3.39Å; R173-C186 PolarHBondContact N-O 2.78Å; R173-F216 WeakPolarHBondContact CG-O 3.37Å; R173-T217 WeakPolarHBondContact CG-O 3.26Å
174D96.9Very high95Very high0 Ų042.1 Ų42.10%021%0.214CC..EExtended strand (participates in β ladder)trans-151.4162.3176.5-148.5-14.2000111.1R121 R123 T185 C186 V218 M219R121-D174 WeakPolarHBondContact CG-OD1 3.5Å; R121-D174 IonicContact CZ-OD1 3.09Å; R121-D174 IonicContact CZ-OD2 3.46Å; R121-D174 IonicContact NE-OD1 2.76Å; R121-D174 IonicContact NH1-OD1 3.29Å; R121-D174 IonicContact NH1-OD2 3.59Å; R121-D174 PolarHBondContact NH1-OD2 2.79Å; R121-D174 VanDerWaalsContact NH1-OD2 3.08Å; R123-D174 IonicContact CZ-OD1 3.95Å; R123-D174 IonicContact CZ-OD2 3.42Å; R123-D174 IonicContact NE-OD1 3.37Å; R123-D174 PolarHBondContact NE-OD1 2.85Å; R123-D174 IonicContact NH2-OD1 3.21Å; R123-D174 PolarHBondContact NH2-OD1 2.89Å; R123-D174 IonicContact NH2-OD2 2.83Å; R123-D174 PolarHBondContact NH2-OD2 3.07Å; D174-T185 WeakPolarHBondContact O-CA 3.42Å; D174-C186 VanDerWaalsContact CB-SG 3.52Å; D174-C186 PolarHBondContact O-N 2.82Å; D174-V218 VanDerWaalsContact OD2-CA 3.31Å; D174-V218 WeakPolarHBondContact OD2-CA 3.36Å; D174-M219 HydrophobicContact CB-CB 3.96Å; D174-M219 PolarHBondContact OD2-N 2.83Å
175I97.8Very high95.3Very high0 Ų037.3 Ų37.30%019%0.189CC..EExtended strand (participates in β ladder)trans-131.2150.9-173.6-57.3170.3000107.3R123 A133 T134 L141 V172 I183 S184 T185R123-I175 WeakPolarHBondContact CD-O 3.28Å; R123-I175 HydrophobicContact CG-CB 4.47Å; R123-I175 PolarHBondContact NE-O 3.47Å; A133-I175 HydrophobicContact CB-CD1 4.23Å; A133-I175 HydrophobicContact CB-CG2 3.96Å; T134-I175 VanDerWaalsContact C-CD1 3.46Å; L141-I175 HydrophobicContact CD1-CD1 3.99Å; L141-I175 HydrophobicContact CD1-CG1 4.39Å; L141-I175 HydrophobicContact CD1-CG2 4.1Å; V172-I175 HydrophobicContact CG1-CD1 4.41Å; V172-I175 HydrophobicContact CG1-CG1 3.87Å; I175-I183 HydrophobicContact CG2-CG2 3.48Å; I175-I183 VanDerWaalsContact CG2-CG2 3.48Å; I175-S184 CarbonylContact C-O 3.56Å; I175-S184 WeakPolarHBondContact CA-O 3.36Å; I175-T185 HydrophobicContact CG1-CG2 4.17Å; I175-T185 HydrophobicContact CG2-CG2 4.45Å
176A97Very high95.6Very high4 Ų432.6 Ų32.63%0.03316%0.156CC..EExtended strand (participates in β ladder)trans-144.9125.117200000109.8I183 S184 M219 A221 V227A176-I183 WeakPolarHBondContact O-CA 3.33Å; A176-S184 PolarHBondContact N-O 3.25Å; A176-S184 PolarHBondContact O-N 3Å; A176-M219 HydrophobicContact CB-CG 3.81Å; A176-M219 HydrophobicContact CB-SD 3.9Å; A176-A221 HydrophobicContact CB-CB 4.11Å; A176-V227 HydrophobicContact CB-CG1 4.37Å
177F96.5Very high95.8Very high12 Ų1227.7 Ų27.75%0.05313%0.13CC..EExtended strand (participates in β ladder)trans-77.4121.7169-71.8-93.6000108.5R123 Q124 P126 V131 A133 I183 A221R123-F177 HydrophobicContact CB-CE2 4.21Å; R123-F177 WeakPolarHBondContact O-CE2 3.5Å; Q124-F177 WeakPolarHBondContact O-CD2 3.33Å; P126-F177 HydrophobicContact CG-CB 4.21Å; V131-F177 HydrophobicContact CG1-CE1 4.39Å; A133-F177 HydrophobicContact CB-CE1 4.39Å; A133-F177 HydrophobicContact CB-CE2 3.69Å; A133-F177 HydrophobicContact CB-CZ 3.41Å; A133-F177 VanDerWaalsContact CB-CZ 3.41Å; F177-I183 HydrophobicContact CD1-CD1 3.88Å; F177-I183 HydrophobicContact CD1-CG1 3.66Å; F177-I183 HydrophobicContact CE1-CD1 3.44Å; F177-I183 VanDerWaalsContact CE1-CD1 3.44Å; F177-I183 HydrophobicContact CE1-CG1 3.8Å; F177-I183 HydrophobicContact CG-CG1 4.36Å; F177-I183 HydrophobicContact CZ-CD1 4.02Å; F177-A221 WeakPolarHBondContact O-CB 3.43Å
178L95Very high95.9Very high7 Ų721.5 Ų21.54%0.03711%0.109CC..  trans-89.1-49.5176.7-73.9171.1000110.1S182 A221 N224 Q226 V227 I241L178-S182 WeakPolarHBondContact CB-O 3.2Å; L178-S182 PolarHBondContact N-O 2.86Å; L178-A221 HydrophobicContact CD2-CB 4.32Å; L178-N224 WeakPolarHBondContact CB-O 3.47Å; L178-N224 WeakPolarHBondContact O-CA 3.31Å; L178-Q226 WeakPolarHBondContact CD2-O 3.39Å; L178-V227 HydrophobicContact CD2-CG1 3.58Å; L178-V227 HydrophobicContact CG-CG1 4.33Å; L178-I241 HydrophobicContact CD1-CB 4.33Å; L178-I241 HydrophobicContact CD1-CG1 3.97Å; L178-I241 HydrophobicContact CD1-CG2 4.25Å
179D93.7Very high96Very high27 Ų2725.1 Ų25.114%0.14412%0.121CC..SBendtrans-142.2-169.1171.362.644000109.2H127 N181 S182 R242H127-D179 VanDerWaalsContact NE2-CA 3.34Å; H127-D179 WeakPolarHBondContact NE2-CA 3.39Å; D179-N181 PolarHBondContact O-N 2.94Å; D179-N181 WeakPolarHBondContact OD1-CA 3.31Å; D179-N181 PolarHBondContact OD1-N 3.25Å; D179-S182 PolarHBondContact N-O 3.28Å; D179-S182 WeakPolarHBondContact OD1-CA 3.41Å; D179-S182 WeakPolarHBondContact OD1-CB 3.38Å; D179-S182 PolarHBondContact OD1-N 3.05Å; D179-S182 PolarHBondContact OD1-OG 3.28Å; D179-S182 PolarHBondContact OD2-OG 2.69Å; D179-R242 IonicContact OD2-NH2 3.68Å
180E93.5Very high96Very high117 Ų11722.9 Ų22.955%0.54711%0.107SC..SBendtrans-58.8-27.2178.4-75.1-179.2-177.900114.3H127H127-E180 HydrophobicContact CB-CG 3.42Å; H127-E180 VanDerWaalsContact CB-CG 3.42Å; H127-E180 PolarHBondContact CD2-N 3.02Å
181N94.1Very high96Very high56 Ų5624.4 Ų24.430%0.29911%0.114SC..SBendtrans-120.3-12.9-171.3-61.3-63.1000113D179 D196 I197 R198D179-N181 PolarHBondContact O-N 2.94Å; D179-N181 WeakPolarHBondContact OD1-CA 3.31Å; D179-N181 PolarHBondContact OD1-N 3.25Å; N181-D196 CarbonylContact O-C 3.12Å; N181-D196 WeakPolarHBondContact O-CA 3.36Å; N181-I197 WeakPolarHBondContact O-CB 3.39Å; N181-I197 VanDerWaalsContact O-CG1 3.28Å; N181-I197 WeakPolarHBondContact O-CG1 3.24Å; N181-I197 PolarHBondContact O-N 2.97Å; N181-R198 HydrophobicContact CB-CB 4.31Å
182S95.3Very high95.9Very high26 Ų2621.3 Ų21.318%0.18210%0.102CC..EExtended strand (participates in β ladder)trans-111122.3-174.5-55.70000110.2L178 D179 Y195L178-S182 WeakPolarHBondContact CB-O 3.2Å; L178-S182 PolarHBondContact N-O 2.86Å; D179-S182 PolarHBondContact N-O 3.28Å; D179-S182 WeakPolarHBondContact OD1-CA 3.41Å; D179-S182 WeakPolarHBondContact OD1-CB 3.38Å; D179-S182 PolarHBondContact OD1-N 3.05Å; D179-S182 PolarHBondContact OD1-OG 3.28Å; D179-S182 PolarHBondContact OD2-OG 2.69Å; S182-Y195 WeakPolarHBondContact CA-O 3.16Å
183I97.3Very high95.9Very high0 Ų021.4 Ų21.40%010%0.102CC..EExtended strand (participates in β ladder)trans-124.9133.4177.4-61.2173.7000109.1A133 L141 V143 I175 A176 F177 T185 A194 Y195 I197A133-I183 HydrophobicContact CB-CD1 4.34Å; L141-I183 HydrophobicContact CD1-CG2 4.06Å; L141-I183 HydrophobicContact CD2-CB 4.02Å; L141-I183 HydrophobicContact CD2-CD1 4.35Å; L141-I183 HydrophobicContact CD2-CG2 3.75Å; V143-I183 HydrophobicContact CG1-CD1 4.46Å; V143-I183 HydrophobicContact CG2-CD1 3.44Å; V143-I183 VanDerWaalsContact CG2-CD1 3.44Å; I175-I183 HydrophobicContact CG2-CG2 3.48Å; I175-I183 VanDerWaalsContact CG2-CG2 3.48Å; A176-I183 WeakPolarHBondContact O-CA 3.33Å; F177-I183 HydrophobicContact CD1-CD1 3.88Å; F177-I183 HydrophobicContact CD1-CG1 3.66Å; F177-I183 HydrophobicContact CE1-CD1 3.44Å; F177-I183 VanDerWaalsContact CE1-CD1 3.44Å; F177-I183 HydrophobicContact CE1-CG1 3.8Å; F177-I183 HydrophobicContact CG-CG1 4.36Å; F177-I183 HydrophobicContact CZ-CD1 4.02Å; I183-T185 HydrophobicContact CG2-CG2 4.47Å; I183-A194 CarbonylContact O-C 3.51Å; I183-A194 WeakPolarHBondContact O-CA 3.45Å; I183-Y195 PolarHBondContact N-O 2.86Å; I183-Y195 PolarHBondContact O-N 3.06Å; I183-I197 HydrophobicContact CD1-CD1 3.51Å; I183-I197 HydrophobicContact CD1-CG1 4.11Å; I183-I197 HydrophobicContact CG1-CD1 3.93Å; I183-I197 HydrophobicContact CG1-CG1 4.47Å
184S97.6Very high95.9Very high0 Ų018.9 Ų18.90%09%0.094CC..EExtended strand (participates in β ladder)trans-103145.8169.5-173.30000110.7I175 A176 R193 M219I175-S184 CarbonylContact C-O 3.56Å; I175-S184 WeakPolarHBondContact CA-O 3.36Å; A176-S184 PolarHBondContact N-O 3.25Å; A176-S184 PolarHBondContact O-N 3Å; S184-R193 CarbonylContact C-O 3.57Å; S184-R193 VanDerWaalsContact CA-O 3.23Å; S184-R193 WeakPolarHBondContact CA-O 3.25Å; S184-R193 PolarHBondContact OG-O 2.07Å; S184-M219 PolarHBondContact OG-SD 2.84Å; S184-M219 VanDerWaalsContact OG-SD 3.41Å
185T97.8Very high95.9Very high0 Ų019 Ų190%010%0.095CC..EExtended strand (participates in β ladder)trans-128.6151.9171.866.90000110.2L141 V172 D174 I175 I183 I192 R193 Y195L141-T185 HydrophobicContact CB-CG2 4.12Å; L141-T185 HydrophobicContact CD1-CG2 4.08Å; L141-T185 HydrophobicContact CD2-CG2 4.08Å; L141-T185 HydrophobicContact CG-CG2 4.32Å; V172-T185 HydrophobicContact CG1-CG2 4.27Å; D174-T185 WeakPolarHBondContact O-CA 3.42Å; I175-T185 HydrophobicContact CG1-CG2 4.17Å; I175-T185 HydrophobicContact CG2-CG2 4.45Å; I183-T185 HydrophobicContact CG2-CG2 4.47Å; T185-I192 WeakPolarHBondContact O-CA 3.42Å; T185-R193 PolarHBondContact N-O 2.73Å; T185-R193 PolarHBondContact O-N 3.45Å; T185-Y195 HydrophobicContact CG2-CE2 4.16Å
186C96.8Very high95.7Very high0 Ų021.7 Ų21.70%011%0.109CC..EExtended strand (participates in β ladder)trans-116.2143.116764.60000110.9R173 D174 Q191 I192 F216 M219R173-C186 PolarHBondContact N-O 2.78Å; D174-C186 VanDerWaalsContact CB-SG 3.52Å; D174-C186 PolarHBondContact O-N 2.82Å; C186-Q191 WeakPolarHBondContact CA-O 3.24Å; C186-I192 HydrophobicContact CB-CG1 4.49Å; C186-F216 HydrophobicContact CB-CB 3.57Å; C186-F216 HydrophobicContact CB-CD2 3.98Å; C186-F216 HydrophobicContact CB-CG 3.81Å; C186-M219 HydrophobicContact CB-CE 3.59Å; C186-M219 HydrophobicContact CB-SD 4.45Å
187T96.5Very high95.5Very high1 Ų123 Ų231%0.00612%0.115CC..EExtended strand (participates in β ladder)trans-106.6155.6-177.277.80000112.5W171 Y189 G190 Q191 F216W171-T187 CarbonylContact O-C 3.56Å; W171-T187 WeakPolarHBondContact O-CA 3.26Å; T187-Y189 PolarHBondContact O-N 3Å; T187-Y189 VanDerWaalsContact O-N 3.13Å; T187-Y189 PolarHBondContact OG1-N 2.85Å; T187-G190 PolarHBondContact O-N 2.82Å; T187-G190 PolarHBondContact OG1-N 2.77Å; T187-Q191 HydrophobicContact CG2-CB 4.1Å; T187-Q191 PolarHBondContact N-O 3.3Å; T187-Q191 WeakPolarHBondContact OG1-CB 3.45Å; T187-Q191 PolarHBondContact OG1-N 2.72Å; T187-Q191 PolarHBondContact OG1-O 2.8Å; T187-Q191 PolarHBondContact OG1-OE1 2.98Å; T187-F216 WeakPolarHBondContact O-CB 3.27Å; T187-F216 PolarHBondContact O-N 3.22Å
188A95.8Very high95.3Very high8 Ų832.1 Ų32.17%0.06615%0.149CC..THydrogen-bonded Turntrans-66.2-7.1171.400000113.9W171 T214 S215W171-A188 HydrophobicContact CB-CB 3.74Å; W171-A188 HydrophobicContact CD2-CB 3.72Å; W171-A188 HydrophobicContact CE3-CB 3.83Å; W171-A188 HydrophobicContact CG-CB 3.65Å; W171-A188 PolarHBondContact O-N 2.64Å; A188-T214 VanDerWaalsContact O-O 3.06Å; A188-S215 WeakPolarHBondContact CA-OG 3.38Å; A188-S215 WeakPolarHBondContact O-CA 3.47Å; A188-S215 VanDerWaalsContact O-CB 3.23Å; A188-S215 WeakPolarHBondContact O-CB 3.44Å; A188-S215 PolarHBondContact O-OG 3.06Å
189Y94.3Very high94.9Very high94 Ų9434 Ų3437%0.36916%0.163SC..THydrogen-bonded Turntrans-107.413.4-180-55.3-65.1000112.5P169 W171 T187 T214P169-Y189 HydrophobicContact CB-CD2 4.32Å; P169-Y189 HydrophobicContact CB-CE2 3.55Å; P169-Y189 HydrophobicContact CG-CD1 4.48Å; P169-Y189 HydrophobicContact CG-CD2 3.96Å; P169-Y189 HydrophobicContact CG-CE1 4.16Å; P169-Y189 HydrophobicContact CG-CE2 3.61Å; P169-Y189 HydrophobicContact CG-CG 4.39Å; W171-Y189 HydrophobicContact CB-CD2 4.17Å; W171-Y189 HydrophobicContact CB-CE2 3.58Å; T187-Y189 PolarHBondContact O-N 3Å; T187-Y189 VanDerWaalsContact O-N 3.13Å; T187-Y189 PolarHBondContact OG1-N 2.85Å; Y189-T214 CarbonylContact C-O 3.56Å; Y189-T214 WeakPolarHBondContact CA-O 3.47Å
190G93.6Very high94.4Very high2 Ų235.6 Ų35.62%0.02119%0.185CC..SBendtrans83.317.4171.700000114.8T187 S209 W210 C213 T214 F216T187-G190 PolarHBondContact O-N 2.82Å; T187-G190 PolarHBondContact OG1-N 2.77Å; G190-S209 VanDerWaalsContact O-CA 3.31Å; G190-S209 WeakPolarHBondContact O-CA 3.23Å; G190-W210 PolarHBondContact O-N 2.91Å; G190-C213 VanDerWaalsContact CA-O 3.22Å; G190-C213 WeakPolarHBondContact CA-O 3.48Å; G190-T214 PolarHBondContact N-O 3.41Å; G190-F216 VanDerWaalsContact C-CE2 3.43Å; G190-F216 WeakPolarHBondContact O-CE2 3.37Å
191Q94.7Very high94.4Very high35 Ų3538.3 Ų38.316%0.16419%0.191CC..EExtended strand (participates in β ladder)trans-98.3145.5173.3-56.1121.9-9.300111.3C186 T187 F208C186-Q191 WeakPolarHBondContact CA-O 3.24Å; T187-Q191 HydrophobicContact CG2-CB 4.1Å; T187-Q191 PolarHBondContact N-O 3.3Å; T187-Q191 WeakPolarHBondContact OG1-CB 3.45Å; T187-Q191 PolarHBondContact OG1-N 2.72Å; T187-Q191 PolarHBondContact OG1-O 2.8Å; T187-Q191 PolarHBondContact OG1-OE1 2.98Å; Q191-F208 CarbonylContact C-O 3.5Å; Q191-F208 WeakPolarHBondContact CA-O 3.33Å
192I96.4Very high94.4Very high0 Ų041.6 Ų41.60%020%0.199CC..EExtended strand (participates in β ladder)trans-112128.4162.4-64.7176.6000107.2T185 C186 F208 F216 M219 A229 F239 I241T185-I192 WeakPolarHBondContact O-CA 3.42Å; C186-I192 HydrophobicContact CB-CG1 4.49Å; I192-F208 HydrophobicContact CB-CE1 3.94Å; I192-F208 HydrophobicContact CB-CE2 3.95Å; I192-F208 HydrophobicContact CB-CZ 3.62Å; I192-F208 HydrophobicContact CD1-CE2 3.95Å; I192-F208 HydrophobicContact CD1-CZ 3.91Å; I192-F208 HydrophobicContact CG1-CE2 4.35Å; I192-F208 HydrophobicContact CG1-CZ 4.29Å; I192-F208 HydrophobicContact CG2-CE1 3.84Å; I192-F208 HydrophobicContact CG2-CZ 3.7Å; I192-F208 PolarHBondContact N-O 2.79Å; I192-F208 PolarHBondContact O-N 3.05Å; I192-F208 VanDerWaalsContact O-N 3.12Å; I192-F216 HydrophobicContact CD1-CE1 4.16Å; I192-F216 HydrophobicContact CD1-CE2 4.11Å; I192-F216 HydrophobicContact CD1-CZ 3.69Å; I192-F216 HydrophobicContact CG1-CD2 4.24Å; I192-F216 HydrophobicContact CG1-CE1 4.46Å; I192-F216 HydrophobicContact CG1-CE2 3.61Å; I192-F216 HydrophobicContact CG1-CZ 3.75Å; I192-M219 HydrophobicContact CB-CE 4.4Å; I192-M219 HydrophobicContact CD1-CE 4.05Å; I192-M219 HydrophobicContact CG1-CE 3.9Å; I192-M219 HydrophobicContact CG2-CE 3.77Å; I192-A229 HydrophobicContact CD1-CB 4.03Å; I192-F239 HydrophobicContact CD1-CD1 4.19Å; I192-F239 HydrophobicContact CD1-CD2 3.65Å; I192-F239 HydrophobicContact CD1-CE1 4.19Å; I192-F239 HydrophobicContact CD1-CE2 3.66Å; I192-F239 HydrophobicContact CD1-CG 3.92Å; I192-F239 HydrophobicContact CD1-CZ 3.93Å; I192-I241 HydrophobicContact CG2-CD1 4.14Å
193R96.3Very high94.4Very high1 Ų145.7 Ų45.70%0.00421%0.21CC..EExtended strand (participates in β ladder)trans-123.2137.9-178.8-73.2174.8-179.1162.62.7110.3S184 T185 Y195 P204 I206 D207S184-R193 CarbonylContact C-O 3.57Å; S184-R193 VanDerWaalsContact CA-O 3.23Å; S184-R193 WeakPolarHBondContact CA-O 3.25Å; S184-R193 PolarHBondContact OG-O 2.07Å; T185-R193 PolarHBondContact N-O 2.73Å; T185-R193 PolarHBondContact O-N 3.45Å; R193-Y195 HydrophobicContact CB-CD2 4.48Å; R193-Y195 HydrophobicContact CB-CE2 3.6Å; R193-Y195 WeakPolarHBondContact CD-OH 3.2Å; R193-P204 HydrophobicContact CB-CB 3.99Å; R193-P204 HydrophobicContact CG-CB 4.14Å; R193-P204 HydrophobicContact CG-CG 4.27Å; R193-I206 CarbonylContact C-O 3.55Å; R193-I206 VanDerWaalsContact CA-O 3.27Å; R193-I206 WeakPolarHBondContact CA-O 3.18Å; R193-D207 HydrophobicContact CG-CB 4.24Å; R193-D207 WeakPolarHBondContact CG-OD1 3.44Å; R193-D207 IonicContact NE-OD1 2.79Å; R193-D207 PolarHBondContact NE-OD1 2.79Å; R193-D207 VanDerWaalsContact NE-OD1 3.11Å; R193-D207 IonicContact NE-OD2 2.97Å
194A96.3Very high94.3Very high6 Ų646.8 Ų46.85%0.0522%0.217CC..EExtended strand (participates in β ladder)trans-118.7140.4172.100000111.3I183 P204 V205 I206 I241I183-A194 CarbonylContact O-C 3.51Å; I183-A194 WeakPolarHBondContact O-CA 3.45Å; A194-P204 CarbonylContact O-C 3.49Å; A194-P204 WeakPolarHBondContact O-CA 3.37Å; A194-V205 PolarHBondContact O-N 3.2Å; A194-I206 HydrophobicContact CB-CB 4.09Å; A194-I206 HydrophobicContact CB-CD1 4.29Å; A194-I206 PolarHBondContact N-O 2.97Å; A194-I206 PolarHBondContact O-N 2.92Å; A194-I241 HydrophobicContact CB-CG2 3.58Å
195Y96.7Very high94.2Very high4 Ų450.8 Ų50.82%0.01624%0.242CC..EExtended strand (participates in β ladder)trans-125.6139.3-174.8-60.4-99.5000109.5D140 L141 F154 A156 S182 I183 T185 R193 P204D140-Y195 PolarHBondContact OD1-OH 3.47Å; L141-Y195 HydrophobicContact CD2-CD2 3.62Å; L141-Y195 HydrophobicContact CD2-CE2 4.14Å; L141-Y195 HydrophobicContact CD2-CG 3.84Å; F154-Y195 HydrophobicContact CE1-CD1 4.13Å; F154-Y195 HydrophobicContact CE1-CG 4.5Å; F154-Y195 AromaticContact CZ-CD1 3.97Å; F154-Y195 HydrophobicContact CZ-CD1 3.97Å; A156-Y195 HydrophobicContact CB-CD1 4.21Å; A156-Y195 HydrophobicContact CB-CE1 3.6Å; S182-Y195 WeakPolarHBondContact CA-O 3.16Å; I183-Y195 PolarHBondContact N-O 2.86Å; I183-Y195 PolarHBondContact O-N 3.06Å; T185-Y195 HydrophobicContact CG2-CE2 4.16Å; R193-Y195 HydrophobicContact CB-CD2 4.48Å; R193-Y195 HydrophobicContact CB-CE2 3.6Å; R193-Y195 WeakPolarHBondContact CD-OH 3.2Å; Y195-P204 HydrophobicContact CD1-CB 4.25Å; Y195-P204 HydrophobicContact CE1-CB 3.88Å; Y195-P204 HydrophobicContact CE1-CG 4.31Å; Y195-P204 HydrophobicContact CE2-CB 4.29Å
196D94.7Very high94Very high56 Ų5652.7 Ų52.730%0.29925%0.252SS..EExtended strand (participates in β ladder)trans-106.3108.6169.3177.5-11.3000108.3N181 R198 S199 V205N181-D196 CarbonylContact O-C 3.12Å; N181-D196 WeakPolarHBondContact O-CA 3.36Å; D196-R198 VanDerWaalsContact C-N 3.28Å; D196-R198 PolarHBondContact O-N 3.13Å; D196-R198 PolarHBondContact OD1-N 3.47Å; D196-S199 PolarHBondContact O-N 2.6Å; D196-S199 PolarHBondContact O-OG 3.48Å; D196-S199 PolarHBondContact OD1-N 3.1Å; D196-S199 VanDerWaalsContact OD1-N 3.16Å; D196-V205 HydrophobicContact CB-CG2 3.98Å
197I93.4Very high93.9Very high31 Ų3156.4 Ų56.416%0.15927%0.271CS..SBendtrans-62.3-36.8-178-57.1167.7000110.9V143 F154 N181 I183V143-I197 HydrophobicContact CG2-CD1 4.32Å; F154-I197 HydrophobicContact CB-CG2 4.06Å; F154-I197 HydrophobicContact CD2-CG2 4.26Å; F154-I197 HydrophobicContact CG-CG2 4.38Å; N181-I197 WeakPolarHBondContact O-CB 3.39Å; N181-I197 VanDerWaalsContact O-CG1 3.28Å; N181-I197 WeakPolarHBondContact O-CG1 3.24Å; N181-I197 PolarHBondContact O-N 2.97Å; I183-I197 HydrophobicContact CD1-CD1 3.51Å; I183-I197 HydrophobicContact CD1-CG1 4.11Å; I183-I197 HydrophobicContact CG1-CD1 3.93Å; I183-I197 HydrophobicContact CG1-CG1 4.47Å
198R91.2Very high93.8Very high203 Ų20357.6 Ų57.677%0.76628%0.276SS*.THydrogen-bonded Turntrans-79.1-27.2-173.3-126.9-172.777.4140.73.6112.7N181 D196 G200N181-R198 HydrophobicContact CB-CB 4.31Å; D196-R198 VanDerWaalsContact C-N 3.28Å; D196-R198 PolarHBondContact O-N 3.13Å; D196-R198 PolarHBondContact OD1-N 3.47Å; R198-G200 PolarHBondContact O-N 2.87Å; R198-G200 VanDerWaalsContact O-N 3.12Å
199S86.9Confident93.6Very high47 Ų4760.6 Ų60.633%0.32930%0.297SS..THydrogen-bonded Turntrans-65-13.8-177.572.60000114.4D196 R201D196-S199 PolarHBondContact O-N 2.6Å; D196-S199 PolarHBondContact O-OG 3.48Å; D196-S199 PolarHBondContact OD1-N 3.1Å; D196-S199 VanDerWaalsContact OD1-N 3.16Å; S199-R201 PolarHBondContact O-N 2.84Å; S199-R201 VanDerWaalsContact OG-CB 3.28Å; S199-R201 WeakPolarHBondContact OG-CB 3.15Å; S199-R201 PolarHBondContact OG-N 2.82Å; S199-R201 VanDerWaalsContact OG-N 3.08Å
200G84.1Confident93.4Very high60 Ų6057.5 Ų57.562%0.61929%0.285SS*.  trans67.8-5.2-169.300000113.7R198 R202R198-G200 PolarHBondContact O-N 2.87Å; R198-G200 VanDerWaalsContact O-N 3.12Å; G200-R202 PolarHBondContact O-N 2.86Å; G200-R202 VanDerWaalsContact O-N 3.17Å
201R91.5Very high92.5Very high174 Ų17464.5 Ų64.566%0.65732%0.322SS*.  trans-72.2110.3174.8-61.6-174.6176.4-136.90.1108.6S199 R203S199-R201 PolarHBondContact O-N 2.84Å; S199-R201 VanDerWaalsContact OG-CB 3.28Å; S199-R201 WeakPolarHBondContact OG-CB 3.15Å; S199-R201 PolarHBondContact OG-N 2.82Å; S199-R201 VanDerWaalsContact OG-N 3.08Å; R201-R203 VanDerWaalsContact C-N 3.29Å; R201-R203 PolarHBondContact O-N 2.86Å
202R95.1Very high91.8Very high126 Ų12666.7 Ų66.748%0.47534%0.335SS..  trans-76.3-16.8177.5-61.7-171.9178.2-174.11.8113.4T155 A156 R157 G200T155-R202 WeakPolarHBondContact O-CD 3.2Å; A156-R202 CarbonylContact C-O 3.58Å; A156-R202 VanDerWaalsContact CA-O 3.28Å; A156-R202 WeakPolarHBondContact CA-O 3.22Å; R157-R202 HydrophobicContact CB-CB 3.98Å; R157-R202 HydrophobicContact CG-CB 3.77Å; R157-R202 PolarHBondContact N-O 3.25Å; G200-R202 PolarHBondContact O-N 2.86Å; G200-R202 VanDerWaalsContact O-N 3.17Å
203R95.5Very high91.2Very high111 Ų11167 Ų6742%0.41934%0.336SS..SBendtrans-88.3153.1175.7-76.6-176.5172.6156.32.4110.3R157 N158 R160 R201 V205R157-R203 HydrophobicContact CB-CG 4.19Å; N158-R203 PolarHBondContact O-NE 2.95Å; R160-R203 VanDerWaalsContact CG-NH1 3.31Å; R201-R203 VanDerWaalsContact C-N 3.29Å; R201-R203 PolarHBondContact O-N 2.86Å; R203-V205 PolarHBondContact O-N 2.91Å
204P95.7Very high90.7Very high23 Ų2371.1 Ų71.115%0.14936%0.362CS..  trans-58.5139.2176.425.7-34.4000110.7V159 R193 A194 Y195 I206 D207V159-P204 HydrophobicContact CG1-CG 3.54Å; R193-P204 HydrophobicContact CB-CB 3.99Å; R193-P204 HydrophobicContact CG-CB 4.14Å; R193-P204 HydrophobicContact CG-CG 4.27Å; A194-P204 CarbonylContact O-C 3.49Å; A194-P204 WeakPolarHBondContact O-CA 3.37Å; Y195-P204 HydrophobicContact CD1-CB 4.25Å; Y195-P204 HydrophobicContact CE1-CB 3.88Å; Y195-P204 HydrophobicContact CE1-CG 4.31Å; Y195-P204 HydrophobicContact CE2-CB 4.29Å; P204-I206 WeakPolarHBondContact CB-O 3.03Å; P204-D207 HydrophobicContact CG-CB 4.35Å
205V94.1Very high90.7Very high84 Ų8472 Ų7251%0.50937%0.368SS..SBendtrans-76.6-33.2174-175.70000109.8A194 D196 R203A194-V205 PolarHBondContact O-N 3.2Å; D196-V205 HydrophobicContact CB-CG2 3.98Å; R203-V205 PolarHBondContact O-N 2.91Å
206I94.5Very high90.6Very high41 Ų4171.9 Ų71.921%0.2137%0.368CS..EExtended strand (participates in β ladder)trans-129.4132.8178.5-65.8156000107.9R193 A194 P204 F208 I241R193-I206 CarbonylContact C-O 3.55Å; R193-I206 VanDerWaalsContact CA-O 3.27Å; R193-I206 WeakPolarHBondContact CA-O 3.18Å; A194-I206 HydrophobicContact CB-CB 4.09Å; A194-I206 HydrophobicContact CB-CD1 4.29Å; A194-I206 PolarHBondContact N-O 2.97Å; A194-I206 PolarHBondContact O-N 2.92Å; P204-I206 WeakPolarHBondContact CB-O 3.03Å; I206-F208 HydrophobicContact CG2-CD1 3.67Å; I206-F208 HydrophobicContact CG2-CE1 4.01Å; I206-I241 HydrophobicContact CD1-CG2 3.39Å; I206-I241 WeakPolarHBondContact CD1-O 3.25Å
207D94.2Very high90.6Very high77 Ų7770.8 Ų70.841%0.41236%0.363SS..EExtended strand (participates in β ladder)trans-143.8114.5177-17531.7000108R193 P204R193-D207 HydrophobicContact CG-CB 4.24Å; R193-D207 WeakPolarHBondContact CG-OD1 3.44Å; R193-D207 IonicContact NE-OD1 2.79Å; R193-D207 PolarHBondContact NE-OD1 2.79Å; R193-D207 VanDerWaalsContact NE-OD1 3.11Å; R193-D207 IonicContact NE-OD2 2.97Å; P204-D207 HydrophobicContact CG-CB 4.35Å
208F94.1Very high90.7Very high26 Ų2669.6 Ų69.611%0.11436%0.357CS..EExtended strand (participates in β ladder)trans-144154.6177.967.9-90.1000111.3Q191 I192 I206 F239 I241 H246Q191-F208 CarbonylContact C-O 3.5Å; Q191-F208 WeakPolarHBondContact CA-O 3.33Å; I192-F208 HydrophobicContact CB-CE1 3.94Å; I192-F208 HydrophobicContact CB-CE2 3.95Å; I192-F208 HydrophobicContact CB-CZ 3.62Å; I192-F208 HydrophobicContact CD1-CE2 3.95Å; I192-F208 HydrophobicContact CD1-CZ 3.91Å; I192-F208 HydrophobicContact CG1-CE2 4.35Å; I192-F208 HydrophobicContact CG1-CZ 4.29Å; I192-F208 HydrophobicContact CG2-CE1 3.84Å; I192-F208 HydrophobicContact CG2-CZ 3.7Å; I192-F208 PolarHBondContact N-O 2.79Å; I192-F208 PolarHBondContact O-N 3.05Å; I192-F208 VanDerWaalsContact O-N 3.12Å; I206-F208 HydrophobicContact CG2-CD1 3.67Å; I206-F208 HydrophobicContact CG2-CE1 4.01Å; F208-F239 AromaticContact CE2-CD1 3.65Å; F208-F239 HydrophobicContact CE2-CD1 3.65Å; F208-F239 AromaticContact CE2-CE1 3.99Å; F208-F239 HydrophobicContact CE2-CE1 3.99Å; F208-F239 HydrophobicContact CE2-CG 4.37Å; F208-F239 HydrophobicContact CZ-CB 4.24Å; F208-F239 AromaticContact CZ-CD1 3.92Å; F208-F239 HydrophobicContact CZ-CD1 3.92Å; F208-F239 HydrophobicContact CZ-CG 4.24Å; F208-I241 HydrophobicContact CE1-CD1 4.21Å; F208-I241 HydrophobicContact CZ-CD1 4.47Å; F208-H246 HydrophobicContact CD1-CB 4.12Å; F208-H246 AromaticContact CD1-CD2 3.33Å; F208-H246 WeakPolarHBondContact CD1-CD2 3.48Å; F208-H246 AromaticContact CD1-CG 3.57Å; F208-H246 AromaticContact CD1-NE2 3.71Å; F208-H246 HydrophobicContact CD2-CB 3.97Å; F208-H246 HydrophobicContact CE1-CB 3.81Å; F208-H246 AromaticContact CE1-CD2 3.86Å; F208-H246 AromaticContact CE1-CG 3.57Å; F208-H246 AromaticContact CE1-ND1 3.88Å; F208-H246 HydrophobicContact CE2-CB 3.65Å; F208-H246 HydrophobicContact CG-CB 4.2Å; F208-H246 AromaticContact CG-CD2 3.43Å; F208-H246 VanDerWaalsContact CG-CD2 3.43Å; F208-H246 WeakPolarHBondContact CG-CD2 3.3Å; F208-H246 AromaticContact CG-CG 3.89Å; F208-H246 HydrophobicContact CZ-CB 3.56Å; F208-H246 AromaticContact CZ-CG 3.89Å
209S92.6Very high90.9Very high72 Ų7259.9 Ų59.950%0.50332%0.321SS..EExtended strand (participates in β ladder)trans-103156.7172.151.80000111.5G190G190-S209 VanDerWaalsContact O-CA 3.31Å; G190-S209 WeakPolarHBondContact O-CA 3.23Å
210W89.8Confident91.3Very high28 Ų2858.1 Ų58.111%0.10631%0.308CS..  trans-107.2107.3169.6-175.225.9000109.2G190 D212 C213 F216 K235 F239 L247 A250G190-W210 PolarHBondContact O-N 2.91Å; W210-D212 PolarHBondContact O-N 3.19Å; W210-C213 HydrophobicContact CD2-CB 4.34Å; W210-C213 HydrophobicContact CE3-CB 3.79Å; W210-C213 WeakPolarHBondContact CZ3-SG 3.33Å; W210-C213 PolarHBondContact O-N 3.34Å; W210-F216 HydrophobicContact CB-CZ 3.97Å; W210-F216 AromaticContact CE3-CE1 3.87Å; W210-F216 HydrophobicContact CE3-CE1 3.87Å; W210-F216 HydrophobicContact CE3-CZ 4.12Å; W210-F216 HydrophobicContact CZ3-CE1 4.47Å; W210-K235 HydrophobicContact CH2-CB 3.56Å; W210-K235 HydrophobicContact CH2-CD 4.24Å; W210-K235 HydrophobicContact CH2-CG 4.45Å; W210-K235 HydrophobicContact CZ2-CB 4.42Å; W210-K235 HydrophobicContact CZ2-CD 4.33Å; W210-K235 HydrophobicContact CZ3-CB 3.77Å; W210-F239 HydrophobicContact CB-CE1 4.23Å; W210-F239 HydrophobicContact CB-CZ 4.24Å; W210-F239 HydrophobicContact CD2-CE1 4.15Å; W210-F239 AromaticContact CD2-CZ 3.65Å; W210-F239 HydrophobicContact CD2-CZ 3.65Å; W210-F239 HydrophobicContact CE3-CE1 4.5Å; W210-F239 HydrophobicContact CE3-CE2 4.4Å; W210-F239 AromaticContact CE3-CZ 3.58Å; W210-F239 HydrophobicContact CE3-CZ 3.58Å; W210-F239 HydrophobicContact CG-CE1 4.04Å; W210-F239 AromaticContact CG-CZ 3.97Å; W210-F239 HydrophobicContact CG-CZ 3.97Å; W210-F239 HydrophobicContact CZ3-CZ 4.06Å; W210-L247 HydrophobicContact CZ2-CD1 4.07Å; W210-A250 HydrophobicContact CH2-CB 4.41Å; W210-A250 HydrophobicContact CZ2-CB 3.93Å
211D75.1Confident91.8Very high149 Ų14956.6 Ų56.680%0.79729%0.29SS*.THydrogen-bonded Turntrans-48.6-10.3-159.5-65.3-21000118.6
212D79.5Confident91.9Very high81 Ų8150.2 Ų50.243%0.43327%0.268SS..THydrogen-bonded Turntrans-119.1-18.1174.5-73.4-45.3000114.8W210 T214 R233 K235W210-D212 PolarHBondContact O-N 3.19Å; D212-T214 PolarHBondContact O-N 3.34Å; D212-R233 WeakPolarHBondContact O-CD 3.38Å; D212-R233 PolarHBondContact O-NH1 3.32Å; D212-K235 HydrophobicContact CB-CD 4.42Å; D212-K235 IonicContact OD2-NZ 3.83Å; D212-K235 PolarHBondContact OD2-NZ 3.18Å
213C84.1Confident91.6Very high6 Ų646.5 Ų46.54%0.04127%0.269CS..  trans-90.6103.4-178-80.50000109.7G190 W210 S215 F216 C231G190-C213 VanDerWaalsContact CA-O 3.22Å; G190-C213 WeakPolarHBondContact CA-O 3.48Å; W210-C213 HydrophobicContact CD2-CB 4.34Å; W210-C213 HydrophobicContact CE3-CB 3.79Å; W210-C213 WeakPolarHBondContact CZ3-SG 3.33Å; W210-C213 PolarHBondContact O-N 3.34Å; C213-S215 VanDerWaalsContact C-N 3.32Å; C213-F216 HydrophobicContact CB-CE1 4.39Å; C213-F216 HydrophobicContact CB-CZ 4.4Å; C213-C231 HydrophobicContact CB-CB 3.59Å; C213-C231 WeakPolarHBondContact CB-SG 3.28Å; C213-C231 WeakPolarHBondContact SG-CB 3.45Å; C213-C231 CovalentContact SG-SG 2.07Å; C213-C231 PolarHBondContact SG-SG 2.78Å
214T86.5Confident91.3Very high89 Ų8945.9 Ų45.955%0.54627%0.274SS..SBendtrans-74.3-23.7177.754.70000113A188 Y189 G190 D212A188-T214 VanDerWaalsContact O-O 3.06Å; Y189-T214 CarbonylContact C-O 3.56Å; Y189-T214 WeakPolarHBondContact CA-O 3.47Å; G190-T214 PolarHBondContact N-O 3.41Å; D212-T214 PolarHBondContact O-N 3.34Å
215S94.7Very high91.2Very high25 Ų2547.1 Ų47.118%0.17528%0.279CS..  trans-150.7113.6-176-1570000111.8A188 C213 C231 T232A188-S215 WeakPolarHBondContact CA-OG 3.38Å; A188-S215 WeakPolarHBondContact O-CA 3.47Å; A188-S215 VanDerWaalsContact O-CB 3.23Å; A188-S215 WeakPolarHBondContact O-CB 3.44Å; A188-S215 PolarHBondContact O-OG 3.06Å; C213-S215 VanDerWaalsContact C-N 3.32Å; S215-C231 WeakPolarHBondContact O-CA 3.28Å; S215-C231 VanDerWaalsContact O-CB 3.25Å; S215-C231 WeakPolarHBondContact O-CB 3.49Å; S215-T232 PolarHBondContact O-N 3.46Å
216F95.8Very high91.2Very high0 Ų045.6 Ų45.60%027%0.266CS..EExtended strand (participates in β ladder)trans-75.6145.8170-70-73.7000110.6R173 C186 T187 G190 I192 W210 C213 A229 G230 C231 F239R173-F216 WeakPolarHBondContact CG-O 3.37Å; C186-F216 HydrophobicContact CB-CB 3.57Å; C186-F216 HydrophobicContact CB-CD2 3.98Å; C186-F216 HydrophobicContact CB-CG 3.81Å; T187-F216 WeakPolarHBondContact O-CB 3.27Å; T187-F216 PolarHBondContact O-N 3.22Å; G190-F216 VanDerWaalsContact C-CE2 3.43Å; G190-F216 WeakPolarHBondContact O-CE2 3.37Å; I192-F216 HydrophobicContact CD1-CE1 4.16Å; I192-F216 HydrophobicContact CD1-CE2 4.11Å; I192-F216 HydrophobicContact CD1-CZ 3.69Å; I192-F216 HydrophobicContact CG1-CD2 4.24Å; I192-F216 HydrophobicContact CG1-CE1 4.46Å; I192-F216 HydrophobicContact CG1-CE2 3.61Å; I192-F216 HydrophobicContact CG1-CZ 3.75Å; W210-F216 HydrophobicContact CB-CZ 3.97Å; W210-F216 AromaticContact CE3-CE1 3.87Å; W210-F216 HydrophobicContact CE3-CE1 3.87Å; W210-F216 HydrophobicContact CE3-CZ 4.12Å; W210-F216 HydrophobicContact CZ3-CE1 4.47Å; C213-F216 HydrophobicContact CB-CE1 4.39Å; C213-F216 HydrophobicContact CB-CZ 4.4Å; F216-A229 HydrophobicContact CD1-CB 3.79Å; F216-A229 HydrophobicContact CE1-CB 3.77Å; F216-G230 WeakPolarHBondContact CA-O 3.27Å; F216-G230 WeakPolarHBondContact CD1-O 3.31Å; F216-C231 HydrophobicContact CD1-CB 4.06Å; F216-C231 HydrophobicContact CE1-CB 4.46Å; F216-F239 HydrophobicContact CE1-CZ 4.49Å; F216-F239 HydrophobicContact CZ-CZ 4.46Å
217T94.2Very high91.3Very high33 Ų3343.6 Ų43.620%0.20226%0.256CS..EExtended strand (participates in β ladder)trans-109.9-38.9179.151.10000111.8R173 G230 T232 V258R173-T217 WeakPolarHBondContact CG-O 3.26Å; T217-G230 PolarHBondContact N-O 2.84Å; T217-G230 PolarHBondContact OG1-O 3.42Å; T217-G230 VanDerWaalsContact OG1-O 3.13Å; T217-T232 HydrophobicContact CG2-CG2 3.46Å; T217-T232 VanDerWaalsContact CG2-CG2 3.46Å; T217-V258 VanDerWaalsContact CB-O 3.28Å; T217-V258 WeakPolarHBondContact CB-O 3.3Å; T217-V258 PolarHBondContact OG1-O 3.38Å
218V95.1Very high91.5Very high6 Ų640 Ų404%0.03624%0.237CC..EExtended strand (participates in β ladder)trans-149.6157.9-173.2-67.90000112.9D174 A229 G230 V258 T259 V261D174-V218 VanDerWaalsContact OD2-CA 3.31Å; D174-V218 WeakPolarHBondContact OD2-CA 3.36Å; V218-A229 WeakPolarHBondContact O-CA 3.42Å; V218-G230 PolarHBondContact N-O 2.85Å; V218-G230 PolarHBondContact O-N 2.72Å; V218-V258 HydrophobicContact CG2-CG1 3.78Å; V218-T259 WeakPolarHBondContact CG1-O 3.39Å; V218-V261 HydrophobicContact CB-CG1 3.96Å; V218-V261 HydrophobicContact CG2-CB 4.06Å; V218-V261 HydrophobicContact CG2-CG1 3.63Å
219M96Very high91.6Very high0 Ų038.7 Ų38.70%023%0.231CC..EExtended strand (participates in β ladder)trans-145.2147.3176.9-173175.6-90.400111.2R123 D174 A176 S184 C186 I192 V227 V228 A229R123-M219 PolarHBondContact NH2-O 3.09Å; D174-M219 HydrophobicContact CB-CB 3.96Å; D174-M219 PolarHBondContact OD2-N 2.83Å; A176-M219 HydrophobicContact CB-CG 3.81Å; A176-M219 HydrophobicContact CB-SD 3.9Å; S184-M219 PolarHBondContact OG-SD 2.84Å; S184-M219 VanDerWaalsContact OG-SD 3.41Å; C186-M219 HydrophobicContact CB-CE 3.59Å; C186-M219 HydrophobicContact CB-SD 4.45Å; I192-M219 HydrophobicContact CB-CE 4.4Å; I192-M219 HydrophobicContact CD1-CE 4.05Å; I192-M219 HydrophobicContact CG1-CE 3.9Å; I192-M219 HydrophobicContact CG2-CE 3.77Å; M219-V227 HydrophobicContact CE-CB 4.38Å; M219-V227 HydrophobicContact CE-CG2 4Å; M219-V227 HydrophobicContact CG-CB 4.13Å; M219-V227 HydrophobicContact CG-CG1 4.48Å; M219-V227 HydrophobicContact SD-CB 4.28Å; M219-V227 HydrophobicContact SD-CG1 4.25Å; M219-V227 HydrophobicContact SD-CG2 4.49Å; M219-V228 CarbonylContact C-O 3.59Å; M219-V228 VanDerWaalsContact CA-O 3.28Å; M219-V228 WeakPolarHBondContact CA-O 3.33Å; M219-A229 HydrophobicContact CE-CB 4Å
220A95.3Very high91.7Very high9 Ų935.3 Ų35.37%0.07421%0.207CC..EExtended strand (participates in β ladder)trans-141.2143168.900000110.1V227 V228 V261A220-V227 CarbonylContact O-C 3.58Å; A220-V227 WeakPolarHBondContact O-CA 3.49Å; A220-V228 PolarHBondContact N-O 3.37Å; A220-V228 PolarHBondContact O-N 2.76Å; A220-V261 HydrophobicContact CB-CG1 3.92Å; A220-V261 HydrophobicContact CB-CG2 4.49Å
221A94.9Very high92Very high28 Ų2834 Ų3423%0.23120%0.202CC..EExtended strand (participates in β ladder)trans-79148.6172.600000111A176 F177 L178 C263A176-A221 HydrophobicContact CB-CB 4.11Å; F177-A221 WeakPolarHBondContact O-CB 3.43Å; L178-A221 HydrophobicContact CD2-CB 4.32Å; A221-C263 WeakPolarHBondContact O-CB 3.15Å; A221-C263 PolarHBondContact O-SG 3.08Å
222H92.2Very high92.9Very high40 Ų4030.1 Ų30.119%0.18518%0.184CC..EExtended strand (participates in β ladder)trans-130.7103.7167.6-177.864.3000108.9Q226 C263 I284H222-Q226 HydrophobicContact CB-CB 4.39Å; H222-Q226 PolarHBondContact N-O 2.76Å; H222-Q226 WeakPolarHBondContact O-CB 3.06Å; H222-C263 HydrophobicContact CB-CB 4.45Å; H222-I284 HydrophobicContact CB-CD1 4.22Å; H222-I284 VanDerWaalsContact CE1-CD1 3.46Å; H222-I284 WeakPolarHBondContact CE1-CD1 3.48Å; H222-I284 VanDerWaalsContact CG-CD1 3.47Å; H222-I284 VanDerWaalsContact ND1-CD1 3.31Å; H222-I284 WeakPolarHBondContact ND1-CD1 3.21Å
223G89.1Confident93.5Very high48 Ų4832.8 Ų32.850%0.49519%0.188SC..THydrogen-bonded Turntrans61.4-154.2-169.800000112.1
224N90.2Very high93.9Very high98 Ų9833.5 Ų33.552%0.52420%0.195SC..THydrogen-bonded Turntrans-92.1-12-165.5-606.4000114.9L178L178-N224 WeakPolarHBondContact CB-O 3.47Å; L178-N224 WeakPolarHBondContact O-CA 3.31Å
225N92.9Very high94.3Very high50 Ų5032.3 Ų32.327%0.26718%0.182SC..THydrogen-bonded Turntrans-132.3-8.3-171.1-62.9-10.2000113.5I241 R242N225-I241 WeakPolarHBondContact O-CB 3.29Å; N225-I241 WeakPolarHBondContact O-CG1 3.48Å; N225-I241 PolarHBondContact O-N 2.85Å; N225-R242 HydrophobicContact CB-CG 4.22Å; N225-R242 WeakPolarHBondContact ND2-CD 3.47Å; N225-R242 WeakPolarHBondContact OD1-CD 3.48Å; N225-R242 PolarHBondContact OD1-NE 2.87Å; N225-R242 PolarHBondContact OD1-NH2 2.9Å
226Q95Very high94.3Very high51 Ų5131.1 Ų31.124%0.23817%0.174CC..EExtended strand (participates in β ladder)trans-115.3144.2-175-60.6-178.9-1400111.6L178 H222 L238 F239 D240L178-Q226 WeakPolarHBondContact CD2-O 3.39Å; H222-Q226 HydrophobicContact CB-CB 4.39Å; H222-Q226 PolarHBondContact N-O 2.76Å; H222-Q226 WeakPolarHBondContact O-CB 3.06Å; Q226-L238 HydrophobicContact CB-CD1 4.11Å; Q226-F239 CarbonylContact C-O 3.56Å; Q226-F239 WeakPolarHBondContact CA-O 3.38Å; Q226-F239 WeakPolarHBondContact CB-O 3.42Å; Q226-D240 HydrophobicContact CG-CB 4.4Å
227V96.6Very high94.4Very high0 Ų031.1 Ų31.10%017%0.174CC..EExtended strand (participates in β ladder)trans-128.2144171.5-61.50000110A176 L178 M219 A220 F239 I241A176-V227 HydrophobicContact CB-CG1 4.37Å; L178-V227 HydrophobicContact CD2-CG1 3.58Å; L178-V227 HydrophobicContact CG-CG1 4.33Å; M219-V227 HydrophobicContact CE-CB 4.38Å; M219-V227 HydrophobicContact CE-CG2 4Å; M219-V227 HydrophobicContact CG-CB 4.13Å; M219-V227 HydrophobicContact CG-CG1 4.48Å; M219-V227 HydrophobicContact SD-CB 4.28Å; M219-V227 HydrophobicContact SD-CG1 4.25Å; M219-V227 HydrophobicContact SD-CG2 4.49Å; A220-V227 CarbonylContact O-C 3.58Å; A220-V227 WeakPolarHBondContact O-CA 3.49Å; V227-F239 HydrophobicContact CG2-CB 3.88Å; V227-F239 HydrophobicContact CG2-CD2 4.32Å; V227-F239 PolarHBondContact N-O 2.71Å; V227-F239 PolarHBondContact O-N 2.57Å; V227-I241 HydrophobicContact CG1-CG1 4.37Å; V227-I241 HydrophobicContact CG2-CD1 3.84Å; V227-I241 HydrophobicContact CG2-CG1 4.32Å
228V97Very high94.5Very high0 Ų029.7 Ų29.70%017%0.165CC..EExtended strand (participates in β ladder)trans-104124.4166.5-173.40000107.7M219 A220 L236 G237 L238 F251 V261 V270M219-V228 CarbonylContact C-O 3.59Å; M219-V228 VanDerWaalsContact CA-O 3.28Å; M219-V228 WeakPolarHBondContact CA-O 3.33Å; A220-V228 PolarHBondContact N-O 3.37Å; A220-V228 PolarHBondContact O-N 2.76Å; V228-L236 HydrophobicContact CG1-CD1 3.66Å; V228-L236 HydrophobicContact CG1-CD2 4.16Å; V228-L236 HydrophobicContact CG1-CG 3.72Å; V228-G237 CarbonylContact C-O 3.5Å; V228-G237 VanDerWaalsContact CA-O 3.26Å; V228-G237 WeakPolarHBondContact CA-O 3.35Å; V228-G237 WeakPolarHBondContact CG1-O 3.44Å; V228-L238 HydrophobicContact CG2-CD1 3.74Å; V228-F251 HydrophobicContact CG1-CE2 4.48Å; V228-V261 HydrophobicContact CB-CG2 4.22Å; V228-V261 HydrophobicContact CG1-CG2 3.86Å; V228-V270 HydrophobicContact CB-CG2 4.39Å; V228-V270 HydrophobicContact CG1-CG2 4.16Å; V228-V270 HydrophobicContact CG2-CG2 4.23Å
229A96.9Very high94.5Very high0 Ų029.5 Ų29.50%016%0.163CC..EExtended strand (participates in β ladder)trans-125135.8178.700000111.4I192 F216 V218 M219 L236 G237 F239I192-A229 HydrophobicContact CD1-CB 4.03Å; F216-A229 HydrophobicContact CD1-CB 3.79Å; F216-A229 HydrophobicContact CE1-CB 3.77Å; V218-A229 WeakPolarHBondContact O-CA 3.42Å; M219-A229 HydrophobicContact CE-CB 4Å; A229-L236 WeakPolarHBondContact O-CA 3.39Å; A229-G237 PolarHBondContact N-O 2.94Å; A229-G237 PolarHBondContact O-N 3.41Å; A229-F239 HydrophobicContact CB-CD2 4.27Å; A229-F239 HydrophobicContact CB-CE2 3.9Å
230G95.7Very high94.5Very high0 Ų031.4 Ų31.40%017%0.174CC..EExtended strand (participates in β ladder)trans-107.2148.6178.300000111.5F216 T217 V218 K235F216-G230 WeakPolarHBondContact CA-O 3.27Å; F216-G230 WeakPolarHBondContact CD1-O 3.31Å; T217-G230 PolarHBondContact N-O 2.84Å; T217-G230 PolarHBondContact OG1-O 3.42Å; T217-G230 VanDerWaalsContact OG1-O 3.13Å; V218-G230 PolarHBondContact N-O 2.85Å; V218-G230 PolarHBondContact O-N 2.72Å; G230-K235 WeakPolarHBondContact CA-O 3.17Å
231C94.8Very high94.5Very high0 Ų031.3 Ų31.30%017%0.172CC..EExtended strand (participates in β ladder)trans-129.4166-178.992.30000112.9C213 S215 F216 R233 A234 K235 V258C213-C231 HydrophobicContact CB-CB 3.59Å; C213-C231 WeakPolarHBondContact CB-SG 3.28Å; C213-C231 WeakPolarHBondContact SG-CB 3.45Å; C213-C231 CovalentContact SG-SG 2.07Å; C213-C231 PolarHBondContact SG-SG 2.78Å; S215-C231 WeakPolarHBondContact O-CA 3.28Å; S215-C231 VanDerWaalsContact O-CB 3.25Å; S215-C231 WeakPolarHBondContact O-CB 3.49Å; F216-C231 HydrophobicContact CD1-CB 4.06Å; F216-C231 HydrophobicContact CE1-CB 4.46Å; C231-R233 PolarHBondContact O-N 3.34Å; C231-A234 PolarHBondContact O-N 3.11Å; C231-K235 PolarHBondContact N-O 3.44Å; C231-V258 PolarHBondContact O-N 2.95Å; C231-V258 VanDerWaalsContact O-N 3.15Å
232T93.8Very high94.2Very high68 Ų6837.9 Ų37.942%0.41719%0.191SC..THydrogen-bonded Turntrans-64-23.6-178.353.80000113.1S215 T217 A234 G257S215-T232 PolarHBondContact O-N 3.46Å; T217-T232 HydrophobicContact CG2-CG2 3.46Å; T217-T232 VanDerWaalsContact CG2-CG2 3.46Å; T232-A234 VanDerWaalsContact C-N 3.25Å; T232-A234 PolarHBondContact O-N 2.87Å; T232-G257 WeakPolarHBondContact O-CA 3.2Å
233R93Very high93.9Very high137 Ų13737 Ų3752%0.51719%0.192SC..THydrogen-bonded Turntrans-87.732.3-179.2-60.3-176.871-177.85.6114.1D212 C231 K235D212-R233 WeakPolarHBondContact O-CD 3.38Å; D212-R233 PolarHBondContact O-NH1 3.32Å; C231-R233 PolarHBondContact O-N 3.34Å; R233-K235 PolarHBondContact O-N 2.91Å
234A93.2Very high93.5Very high22 Ų2244.9 Ų44.918%0.18221%0.213CC..SBendtrans56.432.917700000114.8C231 T232 H254 G256C231-A234 PolarHBondContact O-N 3.11Å; T232-A234 VanDerWaalsContact C-N 3.25Å; T232-A234 PolarHBondContact O-N 2.87Å; A234-H254 HydrophobicContact CB-CB 4.08Å; A234-G256 VanDerWaalsContact CA-O 3.26Å; A234-G256 WeakPolarHBondContact CA-O 3.4Å; A234-G256 WeakPolarHBondContact CB-O 3.41Å
235K94Very high93.2Very high63 Ų6349 Ų4927%0.27423%0.226SC..  trans-114.8142.2175.9-63.8-176.1174.1-173.50110.7W210 D212 G230 C231 R233 V258W210-K235 HydrophobicContact CH2-CB 3.56Å; W210-K235 HydrophobicContact CH2-CD 4.24Å; W210-K235 HydrophobicContact CH2-CG 4.45Å; W210-K235 HydrophobicContact CZ2-CB 4.42Å; W210-K235 HydrophobicContact CZ2-CD 4.33Å; W210-K235 HydrophobicContact CZ3-CB 3.77Å; D212-K235 HydrophobicContact CB-CD 4.42Å; D212-K235 IonicContact OD2-NZ 3.83Å; D212-K235 PolarHBondContact OD2-NZ 3.18Å; G230-K235 WeakPolarHBondContact CA-O 3.17Å; C231-K235 PolarHBondContact N-O 3.44Å; R233-K235 PolarHBondContact O-N 2.91Å; K235-V258 WeakPolarHBondContact O-CG2 3.19Å
236L95.8Very high93.2Very high0 Ų048.9 Ų48.90%022%0.224CC..EExtended strand (participates in β ladder)trans-128.6114.1174.4-174.275.1000108.3V228 A229 A250 F251 V258 V261 Y282V228-L236 HydrophobicContact CG1-CD1 3.66Å; V228-L236 HydrophobicContact CG1-CD2 4.16Å; V228-L236 HydrophobicContact CG1-CG 3.72Å; A229-L236 WeakPolarHBondContact O-CA 3.39Å; L236-A250 CarbonylContact O-C 3.6Å; L236-F251 HydrophobicContact CB-CB 4.21Å; L236-F251 HydrophobicContact CD2-CB 4.16Å; L236-F251 HydrophobicContact CD2-CD2 3.9Å; L236-F251 HydrophobicContact CD2-CG 4.31Å; L236-F251 HydrophobicContact CG-CD2 4.06Å; L236-F251 PolarHBondContact O-N 3.49Å; L236-V258 HydrophobicContact CB-CG2 4.35Å; L236-V258 HydrophobicContact CD1-CG1 4.1Å; L236-V258 HydrophobicContact CD1-CG2 4.42Å; L236-V261 HydrophobicContact CD1-CB 4.38Å; L236-V261 HydrophobicContact CD1-CG2 4.05Å; L236-Y282 HydrophobicContact CD2-CE2 4.29Å
237G96Very high93.2Very high0 Ų049.9 Ų49.90%023%0.23CC..EExtended strand (participates in β ladder)trans-107.8139.7-177.600000111.9V228 A229 F239 H249V228-G237 CarbonylContact C-O 3.5Å; V228-G237 VanDerWaalsContact CA-O 3.26Å; V228-G237 WeakPolarHBondContact CA-O 3.35Å; V228-G237 WeakPolarHBondContact CG1-O 3.44Å; A229-G237 PolarHBondContact N-O 2.94Å; A229-G237 PolarHBondContact O-N 3.41Å; G237-F239 WeakPolarHBondContact O-CD2 3.46Å; G237-F239 WeakPolarHBondContact O-CE2 3.2Å; G237-H249 WeakPolarHBondContact CA-O 3.32Å
238L96.7Very high93.1Very high3 Ų352.2 Ų52.22%0.01624%0.244CC..EExtended strand (participates in β ladder)trans-95.4123.9163.4176.467.7000108.2Q226 V228 V248 H249 F251 I284Q226-L238 HydrophobicContact CB-CD1 4.11Å; V228-L238 HydrophobicContact CG2-CD1 3.74Å; L238-V248 HydrophobicContact CB-CB 4.5Å; L238-V248 HydrophobicContact CD2-CB 4.05Å; L238-V248 HydrophobicContact CD2-CG1 3.91Å; L238-V248 HydrophobicContact CG-CB 4.07Å; L238-V248 HydrophobicContact CG-CG1 4.47Å; L238-V248 PolarHBondContact O-N 3.48Å; L238-H249 HydrophobicContact CB-CB 4.41Å; L238-H249 PolarHBondContact N-O 3.44Å; L238-H249 PolarHBondContact O-N 3.15Å; L238-F251 HydrophobicContact CB-CE2 3.91Å; L238-F251 HydrophobicContact CB-CZ 4.43Å; L238-I284 HydrophobicContact CD1-CG2 4.46Å; L238-I284 HydrophobicContact CD2-CG2 3.91Å
239F96.3Very high93Very high2 Ų254.8 Ų54.81%0.00926%0.256CS..EExtended strand (participates in β ladder)trans-119.9138.1-178.1-54.9-90.6000111.1I192 F208 W210 F216 Q226 V227 A229 G237 H246 L247I192-F239 HydrophobicContact CD1-CD1 4.19Å; I192-F239 HydrophobicContact CD1-CD2 3.65Å; I192-F239 HydrophobicContact CD1-CE1 4.19Å; I192-F239 HydrophobicContact CD1-CE2 3.66Å; I192-F239 HydrophobicContact CD1-CG 3.92Å; I192-F239 HydrophobicContact CD1-CZ 3.93Å; F208-F239 AromaticContact CE2-CD1 3.65Å; F208-F239 HydrophobicContact CE2-CD1 3.65Å; F208-F239 AromaticContact CE2-CE1 3.99Å; F208-F239 HydrophobicContact CE2-CE1 3.99Å; F208-F239 HydrophobicContact CE2-CG 4.37Å; F208-F239 HydrophobicContact CZ-CB 4.24Å; F208-F239 AromaticContact CZ-CD1 3.92Å; F208-F239 HydrophobicContact CZ-CD1 3.92Å; F208-F239 HydrophobicContact CZ-CG 4.24Å; W210-F239 HydrophobicContact CB-CE1 4.23Å; W210-F239 HydrophobicContact CB-CZ 4.24Å; W210-F239 HydrophobicContact CD2-CE1 4.15Å; W210-F239 AromaticContact CD2-CZ 3.65Å; W210-F239 HydrophobicContact CD2-CZ 3.65Å; W210-F239 HydrophobicContact CE3-CE1 4.5Å; W210-F239 HydrophobicContact CE3-CE2 4.4Å; W210-F239 AromaticContact CE3-CZ 3.58Å; W210-F239 HydrophobicContact CE3-CZ 3.58Å; W210-F239 HydrophobicContact CG-CE1 4.04Å; W210-F239 AromaticContact CG-CZ 3.97Å; W210-F239 HydrophobicContact CG-CZ 3.97Å; W210-F239 HydrophobicContact CZ3-CZ 4.06Å; F216-F239 HydrophobicContact CE1-CZ 4.49Å; F216-F239 HydrophobicContact CZ-CZ 4.46Å; Q226-F239 CarbonylContact C-O 3.56Å; Q226-F239 WeakPolarHBondContact CA-O 3.38Å; Q226-F239 WeakPolarHBondContact CB-O 3.42Å; V227-F239 HydrophobicContact CG2-CB 3.88Å; V227-F239 HydrophobicContact CG2-CD2 4.32Å; V227-F239 PolarHBondContact N-O 2.71Å; V227-F239 PolarHBondContact O-N 2.57Å; A229-F239 HydrophobicContact CB-CD2 4.27Å; A229-F239 HydrophobicContact CB-CE2 3.9Å; G237-F239 WeakPolarHBondContact O-CD2 3.46Å; G237-F239 WeakPolarHBondContact O-CE2 3.2Å; F239-H246 CarbonylContact C-O 3.55Å; F239-H246 WeakPolarHBondContact CA-O 3.18Å; F239-L247 HydrophobicContact CD1-CB 4.26Å; F239-L247 HydrophobicContact CD1-CD1 4Å; F239-L247 HydrophobicContact CE1-CB 4.22Å; F239-L247 HydrophobicContact CE1-CD1 3.55Å; F239-L247 HydrophobicContact CE1-CG 4.49Å; F239-L247 HydrophobicContact CZ-CD1 3.92Å
240D95.5Very high92.9Very high40 Ų4056.3 Ų56.321%0.21427%0.269CS..EExtended strand (participates in β ladder)trans-101.2117167.1-174.4-12.8000108.8Q226 R242 G243 H246 V248Q226-D240 HydrophobicContact CG-CB 4.4Å; D240-R242 PolarHBondContact OD1-N 2.82Å; D240-G243 PolarHBondContact OD1-N 3.41Å; D240-H246 PolarHBondContact N-O 2.9Å; D240-H246 WeakPolarHBondContact O-CA 3.4Å; D240-H246 PolarHBondContact O-ND1 3.43Å; D240-V248 HydrophobicContact CB-CG2 3.56Å
241I94.4Very high92.9Very high8 Ų856.5 Ų56.54%0.04127%0.27CS..SBendtrans-72.9-33.3-176.2-58.7-61.2000110.4L178 I192 A194 I206 F208 N225 V227L178-I241 HydrophobicContact CD1-CB 4.33Å; L178-I241 HydrophobicContact CD1-CG1 3.97Å; L178-I241 HydrophobicContact CD1-CG2 4.25Å; I192-I241 HydrophobicContact CG2-CD1 4.14Å; A194-I241 HydrophobicContact CB-CG2 3.58Å; I206-I241 HydrophobicContact CD1-CG2 3.39Å; I206-I241 WeakPolarHBondContact CD1-O 3.25Å; F208-I241 HydrophobicContact CE1-CD1 4.21Å; F208-I241 HydrophobicContact CZ-CD1 4.47Å; N225-I241 WeakPolarHBondContact O-CB 3.29Å; N225-I241 WeakPolarHBondContact O-CG1 3.48Å; N225-I241 PolarHBondContact O-N 2.85Å; V227-I241 HydrophobicContact CG1-CG1 4.37Å; V227-I241 HydrophobicContact CG2-CD1 3.84Å; V227-I241 HydrophobicContact CG2-CG1 4.32Å
242R89.6Confident92.7Very high166 Ų16666.9 Ų66.963%0.62631%0.309SS*.SBendtrans-88.3-15.5179.9-59.9-163.3-171.6177.63.5113D179 N225 D240D179-R242 IonicContact OD2-NH2 3.68Å; N225-R242 HydrophobicContact CB-CG 4.22Å; N225-R242 WeakPolarHBondContact ND2-CD 3.47Å; N225-R242 WeakPolarHBondContact OD1-CD 3.48Å; N225-R242 PolarHBondContact OD1-NE 2.87Å; N225-R242 PolarHBondContact OD1-NH2 2.9Å; D240-R242 PolarHBondContact OD1-N 2.82Å
243G86.1Confident92.5Very high20 Ų2065.5 Ų65.521%0.20631%0.308CS..SBendtrans-70.8150.3-179.500000113.7D240 K245 H246D240-G243 PolarHBondContact OD1-N 3.41Å; G243-K245 VanDerWaalsContact C-N 3.32Å; G243-H246 PolarHBondContact O-CE1 2.85Å; G243-H246 PolarHBondContact O-ND1 3.21Å
244K80.5Confident92.5Very high215 Ų21559.7 Ų59.794%0.93529%0.287SS*.SBendtrans-63.7-37.9172.2-69.3-174.8178.8-178.10112.5
245K84.6Confident92.5Very high183 Ų18364.2 Ų64.280%0.79631%0.312SS*.SBendtrans-102.4108.4170.5-72.3-172.7178.6-1770107G243 L247G243-K245 VanDerWaalsContact C-N 3.32Å; K245-L247 PolarHBondContact O-N 2.8Å
246H92.1Very high92.4Very high49 Ų4962 Ų6223%0.22731%0.307CS..SBendtrans-64.4-42.1-176.8-64.1-55.3000112F208 F239 D240 G243 V248F208-H246 HydrophobicContact CD1-CB 4.12Å; F208-H246 AromaticContact CD1-CD2 3.33Å; F208-H246 WeakPolarHBondContact CD1-CD2 3.48Å; F208-H246 AromaticContact CD1-CG 3.57Å; F208-H246 AromaticContact CD1-NE2 3.71Å; F208-H246 HydrophobicContact CD2-CB 3.97Å; F208-H246 HydrophobicContact CE1-CB 3.81Å; F208-H246 AromaticContact CE1-CD2 3.86Å; F208-H246 AromaticContact CE1-CG 3.57Å; F208-H246 AromaticContact CE1-ND1 3.88Å; F208-H246 HydrophobicContact CE2-CB 3.65Å; F208-H246 HydrophobicContact CG-CB 4.2Å; F208-H246 AromaticContact CG-CD2 3.43Å; F208-H246 VanDerWaalsContact CG-CD2 3.43Å; F208-H246 WeakPolarHBondContact CG-CD2 3.3Å; F208-H246 AromaticContact CG-CG 3.89Å; F208-H246 HydrophobicContact CZ-CB 3.56Å; F208-H246 AromaticContact CZ-CG 3.89Å; F239-H246 CarbonylContact C-O 3.55Å; F239-H246 WeakPolarHBondContact CA-O 3.18Å; D240-H246 PolarHBondContact N-O 2.9Å; D240-H246 WeakPolarHBondContact O-CA 3.4Å; D240-H246 PolarHBondContact O-ND1 3.43Å; G243-H246 PolarHBondContact O-CE1 2.85Å; G243-H246 PolarHBondContact O-ND1 3.21Å; H246-V248 PolarHBondContact O-N 2.5Å
247L94.6Very high92.2Very high71 Ų7162.7 Ų62.737%0.37232%0.315SS..EExtended strand (participates in β ladder)trans-76114.8178.3-175.871.1000111.4W210 F239 K245 H249W210-L247 HydrophobicContact CZ2-CD1 4.07Å; F239-L247 HydrophobicContact CD1-CB 4.26Å; F239-L247 HydrophobicContact CD1-CD1 4Å; F239-L247 HydrophobicContact CE1-CB 4.22Å; F239-L247 HydrophobicContact CE1-CD1 3.55Å; F239-L247 HydrophobicContact CE1-CG 4.49Å; F239-L247 HydrophobicContact CZ-CD1 3.92Å; K245-L247 PolarHBondContact O-N 2.8Å; L247-H249 WeakPolarHBondContact CD1-O 3.41Å
248V94.5Very high92.2Very high49 Ų4962.7 Ų62.730%0.29732%0.315SS..EExtended strand (participates in β ladder)trans-88.7-42.9175.5-1800000111.1L238 D240 H246L238-V248 HydrophobicContact CB-CB 4.5Å; L238-V248 HydrophobicContact CD2-CB 4.05Å; L238-V248 HydrophobicContact CD2-CG1 3.91Å; L238-V248 HydrophobicContact CG-CB 4.07Å; L238-V248 HydrophobicContact CG-CG1 4.47Å; L238-V248 PolarHBondContact O-N 3.48Å; D240-V248 HydrophobicContact CB-CG2 3.56Å; H246-V248 PolarHBondContact O-N 2.5Å
249H95Very high92Very high54 Ų5464.1 Ų64.125%0.2532%0.323CS..EExtended strand (participates in β ladder)trans-159.5151.7-179.7-169.464.4000111.8G237 L238 L247 F251 K287G237-H249 WeakPolarHBondContact CA-O 3.32Å; L238-H249 HydrophobicContact CB-CB 4.41Å; L238-H249 PolarHBondContact N-O 3.44Å; L238-H249 PolarHBondContact O-N 3.15Å; L247-H249 WeakPolarHBondContact CD1-O 3.41Å; H249-F251 AromaticContact CD2-CD1 3.72Å; H249-F251 AromaticContact CD2-CE1 3.88Å; H249-K287 HydrophobicContact CB-CD 4.06Å; H249-K287 HydrophobicContact CB-CG 4.29Å; H249-K287 PolarHBondContact NE2-O 3.19Å
250A94.7Very high91.8Very high33 Ų3364.4 Ų64.427%0.27333%0.327SS..EExtended strand (participates in β ladder)trans-117.1108.2172.200000109.2W210 L236 R252W210-A250 HydrophobicContact CH2-CB 4.41Å; W210-A250 HydrophobicContact CZ2-CB 3.93Å; L236-A250 CarbonylContact O-C 3.6Å; A250-R252 PolarHBondContact O-N 3.22Å
251F94.9Very high91.8Very high4 Ų462.8 Ų62.82%0.01832%0.318CS..EExtended strand (participates in β ladder)trans-69.3127.9177.1-59.8-76.9000109.8V228 L236 L238 H249 V270 Y282V228-F251 HydrophobicContact CG1-CE2 4.48Å; L236-F251 HydrophobicContact CB-CB 4.21Å; L236-F251 HydrophobicContact CD2-CB 4.16Å; L236-F251 HydrophobicContact CD2-CD2 3.9Å; L236-F251 HydrophobicContact CD2-CG 4.31Å; L236-F251 HydrophobicContact CG-CD2 4.06Å; L236-F251 PolarHBondContact O-N 3.49Å; L238-F251 HydrophobicContact CB-CE2 3.91Å; L238-F251 HydrophobicContact CB-CZ 4.43Å; H249-F251 AromaticContact CD2-CD1 3.72Å; H249-F251 AromaticContact CD2-CE1 3.88Å; F251-V270 HydrophobicContact CE2-CG1 4.18Å; F251-V270 HydrophobicContact CZ-CG1 4.07Å; F251-Y282 HydrophobicContact CB-CD1 4.12Å; F251-Y282 HydrophobicContact CB-CE1 3.84Å; F251-Y282 HydrophobicContact CB-CE2 4.48Å; F251-Y282 AromaticContact CD1-CD1 3.5Å; F251-Y282 HydrophobicContact CD1-CD1 3.5Å; F251-Y282 HydrophobicContact CD1-CE1 4.09Å; F251-Y282 AromaticContact CD1-CG 3.79Å; F251-Y282 HydrophobicContact CD1-CG 3.79Å; F251-Y282 HydrophobicContact CE1-CD1 4.25Å; F251-Y282 HydrophobicContact CE1-CG 4.23Å; F251-Y282 HydrophobicContact CG-CD1 4.1Å; F251-Y282 HydrophobicContact CG-CE1 4.33Å; F251-Y282 HydrophobicContact CG-CG 4.28Å
252R91.4Very high91.7Very high217 Ų21763.7 Ų63.782%0.81932%0.324SS*.  trans-101163.5179.6-63.6-173.6-179.7-116.42.9111.3A250 Y282 M289A250-R252 PolarHBondContact O-N 3.22Å; R252-Y282 PolarHBondContact O-OH 3.47Å; R252-M289 WeakPolarHBondContact O-CE 3.36Å
253G90.5Very high91.8Very high39 Ų3956.7 Ų56.740%0.40230%0.3SS..  trans117.6-11.6168.200000115.4R280G253-R280 VanDerWaalsContact O-CZ 3.23Å; G253-R280 PolarHBondContact O-NE 3.24Å; G253-R280 PolarHBondContact O-NH2 3.12Å
254H92.5Very high92Very high15 Ų1556.3 Ų56.37%0.06929%0.293CS..  trans-72139.3168.8-54.883.9000110.2A234 S272 Y282A234-H254 HydrophobicContact CB-CB 4.08Å; H254-S272 PolarHBondContact CE1-OG 3.46Å; H254-S272 PolarHBondContact NE2-OG 2.77Å; H254-Y282 AromaticContact CE1-CE2 3.82Å; H254-Y282 AromaticContact CE1-CZ 3.86Å; H254-Y282 PolarHBondContact CE1-OH 3.04Å; H254-Y282 PolarHBondContact ND1-OH 3.43Å
255T93Very high92.1Very high117 Ų11750.9 Ų50.972%0.71829%0.288SS*.SBendtrans-112-1.9175.955.90000112.7D276T255-D276 PolarHBondContact N-OD2 2.82Å; T255-D276 WeakPolarHBondContact OG1-CB 3.02Å; T255-D276 PolarHBondContact OG1-OD2 3.4Å
256G91.4Very high92Very high16 Ų1649.2 Ų49.217%0.16529%0.285CS..SBendtrans-139.3169.9172.900000111.2A234 V258 S274A234-G256 VanDerWaalsContact CA-O 3.26Å; A234-G256 WeakPolarHBondContact CA-O 3.4Å; A234-G256 WeakPolarHBondContact CB-O 3.41Å; G256-V258 PolarHBondContact O-N 2.7Å; G256-S274 WeakPolarHBondContact CA-OG 3.27Å; G256-S274 PolarHBondContact O-OG 3.5Å
257G92.5Very high91.8Very high15 Ų1551 Ų5116%0.15529%0.293CS..  trans-51.5140178.800000112.8T232 T259 S274 V275T232-G257 WeakPolarHBondContact O-CA 3.2Å; G257-T259 PolarHBondContact O-N 3.37Å; G257-S274 VanDerWaalsContact O-CA 3.24Å; G257-S274 WeakPolarHBondContact O-CA 3.34Å; G257-S274 WeakPolarHBondContact O-CB 3.49Å; G257-S274 PolarHBondContact O-OG 3.15Å; G257-S274 VanDerWaalsContact O-OG 3.08Å; G257-V275 PolarHBondContact O-N 2.9Å
258V94.4Very high91.6Very high1 Ų149.2 Ų49.21%0.00629%0.286CS..EExtended strand (participates in β ladder)trans-72.2127.8177.3-178.20000108.3T217 V218 C231 K235 L236 G256 S273T217-V258 VanDerWaalsContact CB-O 3.28Å; T217-V258 WeakPolarHBondContact CB-O 3.3Å; T217-V258 PolarHBondContact OG1-O 3.38Å; V218-V258 HydrophobicContact CG2-CG1 3.78Å; C231-V258 PolarHBondContact O-N 2.95Å; C231-V258 VanDerWaalsContact O-N 3.15Å; K235-V258 WeakPolarHBondContact O-CG2 3.19Å; L236-V258 HydrophobicContact CB-CG2 4.35Å; L236-V258 HydrophobicContact CD1-CG1 4.1Å; L236-V258 HydrophobicContact CD1-CG2 4.42Å; G256-V258 PolarHBondContact O-N 2.7Å; V258-S273 WeakPolarHBondContact CA-O 3.47Å; V258-S273 WeakPolarHBondContact CG1-O 3.26Å
259T92.9Very high91.5Very high32 Ų3251.1 Ų51.120%0.19629%0.288CS..EExtended strand (participates in β ladder)trans-102.8-33-175.953.80000113V218 G257 S273 V275 I309V218-T259 WeakPolarHBondContact CG1-O 3.39Å; G257-T259 PolarHBondContact O-N 3.37Å; T259-S273 PolarHBondContact N-O 3.28Å; T259-S273 PolarHBondContact OG1-O 2.78Å; T259-S273 PolarHBondContact OG1-OG 2.95Å; T259-V275 HydrophobicContact CG2-CG2 3.6Å; T259-I309 WeakPolarHBondContact CB-O 3.34Å; T259-I309 WeakPolarHBondContact CG2-O 3.24Å; T259-I309 PolarHBondContact OG1-O 3.24Å
260A92.8Very high91.4Very high9 Ų948.5 Ų48.57%0.07428%0.276CS..EExtended strand (participates in β ladder)trans-148.7152.3174.300000111.4S272 S273 L312A260-S272 VanDerWaalsContact O-CA 3.3Å; A260-S272 WeakPolarHBondContact O-CA 3.44Å; A260-S273 WeakPolarHBondContact CB-OG 3.46Å; A260-S273 PolarHBondContact N-OG 2.9Å; A260-S273 PolarHBondContact O-N 3.48Å; A260-L312 HydrophobicContact CB-CB 4Å; A260-L312 HydrophobicContact CB-CD1 3.94Å; A260-L312 HydrophobicContact CB-CG 3.82Å
261V94.2Very high91.4Very high5 Ų547 Ų473%0.0326%0.263CS..EExtended strand (participates in β ladder)trans-141.9136.9174.467.20000108.9V218 A220 V228 L236 V270 V271V218-V261 HydrophobicContact CB-CG1 3.96Å; V218-V261 HydrophobicContact CG2-CB 4.06Å; V218-V261 HydrophobicContact CG2-CG1 3.63Å; A220-V261 HydrophobicContact CB-CG1 3.92Å; A220-V261 HydrophobicContact CB-CG2 4.49Å; V228-V261 HydrophobicContact CB-CG2 4.22Å; V228-V261 HydrophobicContact CG1-CG2 3.86Å; L236-V261 HydrophobicContact CD1-CB 4.38Å; L236-V261 HydrophobicContact CD1-CG2 4.05Å; V261-V270 HydrophobicContact CG2-CG2 3.54Å; V261-V271 WeakPolarHBondContact CA-O 3.37Å
262V93.1Very high91.3Very high28 Ų2846.8 Ų46.817%0.1726%0.263CS..EExtended strand (participates in β ladder)trans-139130.5175.6-177.80000108.5V271 L312 V314V262-V271 PolarHBondContact N-O 3.04Å; V262-V271 PolarHBondContact O-N 2.62Å; V262-L312 HydrophobicContact CG2-CB 3.91Å; V262-L312 WeakPolarHBondContact CG2-O 3.03Å; V262-V314 HydrophobicContact CB-CG2 4.12Å; V262-V314 HydrophobicContact CG1-CB 4.29Å; V262-V314 HydrophobicContact CG1-CG2 3.63Å
263C91.8Very high91.4Very high19 Ų1936.4 Ų36.413%0.12822%0.224CC..EExtended strand (participates in β ladder)trans-91.5139.6170.2-640000109.1A221 H222A221-C263 WeakPolarHBondContact O-CB 3.15Å; A221-C263 PolarHBondContact O-SG 3.08Å; H222-C263 HydrophobicContact CB-CB 4.45Å
264H89.3Confident91.4Very high12 Ų1234.6 Ų34.66%0.05620%0.204CC..  trans-70.6137.8171.8-170.5-58.1000109.6M1 M266 H267 Y269 G318M1-H264 HydrophobicContact CE-CB 4.33Å; H264-M266 PolarHBondContact ND1-N 2.87Å; H264-M266 VanDerWaalsContact ND1-N 3.11Å; H264-H267 AromaticContact CE1-CD2 3.47Å; H264-H267 PolarHBondContact CE1-CD2 2.84Å; H264-H267 VanDerWaalsContact CE1-CD2 3.47Å; H264-H267 PolarHBondContact ND1-N 2.87Å; H264-H267 VanDerWaalsContact ND1-N 3.2Å; H264-H267 AromaticContact NE2-CD2 3.65Å; H264-Y269 PolarHBondContact N-O 2.91Å; H264-G318 WeakPolarHBondContact NE2-CA 3.45Å
265A83.1Confident91.3Very high101 Ų10137.7 Ų37.784%0.83522%0.224SC*.SBendtrans-65.4-48.1-175.700000113.2
266M82.9Confident91.1Very high147 Ų14733 Ų3372%0.72420%0.195SC*.SBendtrans-94.2-32.4-176.4-67.9175.742.500116.2H264H264-M266 PolarHBondContact ND1-N 2.87Å; H264-M266 VanDerWaalsContact ND1-N 3.11Å
267H87.2Confident90.8Very high86 Ų8637.2 Ų37.240%0.39821%0.206SC..SBendtrans-108151.6-172.9-62.3-53.6000110.7H264 Y269H264-H267 AromaticContact CE1-CD2 3.47Å; H264-H267 PolarHBondContact CE1-CD2 2.84Å; H264-H267 VanDerWaalsContact CE1-CD2 3.47Å; H264-H267 PolarHBondContact ND1-N 2.87Å; H264-H267 VanDerWaalsContact ND1-N 3.2Å; H264-H267 AromaticContact NE2-CD2 3.65Å; H267-Y269 HydrophobicContact CB-CD2 3.5Å; H267-Y269 HydrophobicContact CB-CE2 3.71Å; H267-Y269 HydrophobicContact CB-CG 4.34Å; H267-Y269 PolarHBondContact O-N 2.91Å
268P90.6Very high90.6Very high34 Ų3439 Ų3922%0.22121%0.209CC..SBendtrans-77.655.1-178.234.2-37000111.8I284 Q285P268-I284 HydrophobicContact CB-CB 4.3Å; P268-I284 WeakPolarHBondContact O-CB 3.45Å; P268-I284 PolarHBondContact O-N 3.47Å; P268-Q285 HydrophobicContact CB-CG 3.92Å; P268-Q285 HydrophobicContact CG-CG 4.22Å
269Y92.1Very high90.5Very high89 Ų8939 Ų3935%0.34921%0.209SC..EExtended strand (participates in β ladder)trans-116.1140.5-179.8-63.9-43.9000110.9H264 H267 L281 Y282 L290H264-Y269 PolarHBondContact N-O 2.91Å; H267-Y269 HydrophobicContact CB-CD2 3.5Å; H267-Y269 HydrophobicContact CB-CE2 3.71Å; H267-Y269 HydrophobicContact CB-CG 4.34Å; H267-Y269 PolarHBondContact O-N 2.91Å; Y269-L281 HydrophobicContact CD1-CD1 4.49Å; Y269-L281 HydrophobicContact CG-CD1 4.21Å; Y269-Y282 WeakPolarHBondContact CA-O 3.44Å; Y269-L290 HydrophobicContact CD1-CD1 3.78Å; Y269-L290 HydrophobicContact CE1-CD1 3.51Å
270V93.8Very high90.5Very high0 Ų037.4 Ų37.40%020%0.2CC..EExtended strand (participates in β ladder)trans-123.6133.8169.764.20000109.8V228 F251 V261 Y282 I284V228-V270 HydrophobicContact CB-CG2 4.39Å; V228-V270 HydrophobicContact CG1-CG2 4.16Å; V228-V270 HydrophobicContact CG2-CG2 4.23Å; F251-V270 HydrophobicContact CE2-CG1 4.18Å; F251-V270 HydrophobicContact CZ-CG1 4.07Å; V261-V270 HydrophobicContact CG2-CG2 3.54Å; V270-Y282 HydrophobicContact CG1-CD2 4.3Å; V270-Y282 HydrophobicContact CG1-CG 4.39Å; V270-Y282 PolarHBondContact N-O 3.04Å; V270-Y282 PolarHBondContact O-N 3.37Å; V270-I284 HydrophobicContact CB-CD1 4.17Å; V270-I284 HydrophobicContact CB-CG1 4.13Å; V270-I284 HydrophobicContact CG1-CG1 4.04Å
271V93.9Very high90.5Very high0 Ų037.5 Ų37.50%020%0.199CC..EExtended strand (participates in β ladder)trans-109.9136.4174.4-176.40000108.4M1 V3 F17 V261 V262 V279 R280 L281 L312M1-V271 HydrophobicContact CE-CG2 3.52Å; M1-V271 HydrophobicContact SD-CG2 4.22Å; V3-V271 HydrophobicContact CG1-CG1 4.16Å; V3-V271 HydrophobicContact CG2-CG1 4.22Å; V3-V271 HydrophobicContact CG2-CG2 4.14Å; F17-V271 HydrophobicContact CE2-CG1 4.37Å; F17-V271 HydrophobicContact CE2-CG2 4.28Å; V261-V271 WeakPolarHBondContact CA-O 3.37Å; V262-V271 PolarHBondContact N-O 3.04Å; V262-V271 PolarHBondContact O-N 2.62Å; V271-V279 HydrophobicContact CG1-CG1 3.49Å; V271-V279 VanDerWaalsContact CG1-CG1 3.49Å; V271-R280 VanDerWaalsContact CA-O 3.31Å; V271-R280 WeakPolarHBondContact CA-O 3.15Å; V271-L281 HydrophobicContact CG2-CD1 3.67Å; V271-L312 HydrophobicContact CG1-CD1 4.06Å
272S94.2Very high90.6Very high0 Ų037.4 Ų37.40%020%0.198CC..EExtended strand (participates in β ladder)trans-136.9150.6176.460.10000111.3H254 A260 V279 R280H254-S272 PolarHBondContact CE1-OG 3.46Å; H254-S272 PolarHBondContact NE2-OG 2.77Å; A260-S272 VanDerWaalsContact O-CA 3.3Å; A260-S272 WeakPolarHBondContact O-CA 3.44Å; S272-V279 WeakPolarHBondContact O-CA 3.37Å; S272-R280 PolarHBondContact N-O 2.77Å; S272-R280 PolarHBondContact O-N 2.8Å
273S92.4Very high90.6Very high0 Ų036.3 Ų36.30%019%0.192CC..EExtended strand (participates in β ladder)trans-120.9157.5170.659.90000110.2V258 T259 A260 I309 L312V258-S273 WeakPolarHBondContact CA-O 3.47Å; V258-S273 WeakPolarHBondContact CG1-O 3.26Å; T259-S273 PolarHBondContact N-O 3.28Å; T259-S273 PolarHBondContact OG1-O 2.78Å; T259-S273 PolarHBondContact OG1-OG 2.95Å; A260-S273 WeakPolarHBondContact CB-OG 3.46Å; A260-S273 PolarHBondContact N-OG 2.9Å; A260-S273 PolarHBondContact O-N 3.48Å; S273-I309 WeakPolarHBondContact OG-CG2 3.22Å; S273-L312 VanDerWaalsContact N-CD1 3.34Å; S273-L312 WeakPolarHBondContact OG-CD1 3.14Å
274S91.7Very high90.7Very high0 Ų035.8 Ų35.80%019%0.188CC..EExtended strand (participates in β ladder)trans-139.2164.2177.4162.30000110.6G256 G257 D276 R277G256-S274 WeakPolarHBondContact CA-OG 3.27Å; G256-S274 PolarHBondContact O-OG 3.5Å; G257-S274 VanDerWaalsContact O-CA 3.24Å; G257-S274 WeakPolarHBondContact O-CA 3.34Å; G257-S274 WeakPolarHBondContact O-CB 3.49Å; G257-S274 PolarHBondContact O-OG 3.15Å; G257-S274 VanDerWaalsContact O-OG 3.08Å; S274-D276 WeakPolarHBondContact CB-OD1 3.46Å; S274-D276 PolarHBondContact O-N 3.22Å; S274-D276 VanDerWaalsContact O-N 3.07Å; S274-D276 VanDerWaalsContact OG-CG 3.29Å; S274-D276 PolarHBondContact OG-N 3.24Å; S274-D276 VanDerWaalsContact OG-N 3.14Å; S274-D276 PolarHBondContact OG-OD1 2.84Å; S274-R277 PolarHBondContact O-N 3.23Å
275V89.8Confident90.8Very high80 Ų8042.7 Ų42.749%0.48522%0.22SC..THydrogen-bonded Turntrans-53.5-22167.7-177.50000111.5G257 T259 R277G257-V275 PolarHBondContact O-N 2.9Å; T259-V275 HydrophobicContact CG2-CG2 3.6Å; V275-R277 PolarHBondContact O-N 2.85Å; V275-R277 VanDerWaalsContact O-N 3.12Å
276D89Confident91.3Very high19 Ų1941.9 Ų41.910%0.10221%0.205CC..THydrogen-bonded Turntrans-69.60.7174.672.116.3000115.6T255 S274 F278 R280T255-D276 PolarHBondContact N-OD2 2.82Å; T255-D276 WeakPolarHBondContact OG1-CB 3.02Å; T255-D276 PolarHBondContact OG1-OD2 3.4Å; S274-D276 WeakPolarHBondContact CB-OD1 3.46Å; S274-D276 PolarHBondContact O-N 3.22Å; S274-D276 VanDerWaalsContact O-N 3.07Å; S274-D276 VanDerWaalsContact OG-CG 3.29Å; S274-D276 PolarHBondContact OG-N 3.24Å; S274-D276 VanDerWaalsContact OG-N 3.14Å; S274-D276 PolarHBondContact OG-OD1 2.84Å; D276-F278 HydrophobicContact CB-CD2 4.32Å; D276-F278 WeakPolarHBondContact O-CD2 3.31Å; D276-F278 PolarHBondContact O-N 2.66Å; D276-F278 WeakPolarHBondContact OD1-CB 3.24Å; D276-F278 PolarHBondContact OD1-N 2.87Å; D276-R280 VanDerWaalsContact CG-NH1 3.34Å; D276-R280 IonicContact OD1-CZ 3.79Å; D276-R280 IonicContact OD1-NH1 3.81Å; D276-R280 PolarHBondContact OD1-NH1 2.79Å; D276-R280 IonicContact OD1-NH2 2.76Å; D276-R280 IonicContact OD2-CZ 3.55Å; D276-R280 IonicContact OD2-NH1 3.08Å; D276-R280 PolarHBondContact OD2-NH1 3.49Å; D276-R280 IonicContact OD2-NH2 3.84Å; D276-R280 PolarHBondContact OD2-NH2 2.86Å
277R84.4Confident91.8Very high105 Ų10539.3 Ų39.340%0.39619%0.19SC..SBendtrans70.58.3175.8-47.2178.2-70.1-178.7-3.4115.1S274 V275 L294 S295 E307S274-R277 PolarHBondContact O-N 3.23Å; V275-R277 PolarHBondContact O-N 2.85Å; V275-R277 VanDerWaalsContact O-N 3.12Å; R277-L294 HydrophobicContact CB-CD1 4.23Å; R277-S295 WeakPolarHBondContact O-CB 3.48Å; R277-S295 PolarHBondContact O-N 3.28Å; R277-E307 WeakPolarHBondContact CD-O 3.15Å; R277-E307 VanDerWaalsContact CG-O 3.25Å; R277-E307 WeakPolarHBondContact CG-O 3.15Å
278F89.8Confident92.1Very high52 Ų5238.6 Ų38.623%0.22819%0.191CC..EExtended strand (participates in β ladder)trans-97.9138.8174-66.9-83.4000110.9D276 K292 A293 L294D276-F278 HydrophobicContact CB-CD2 4.32Å; D276-F278 WeakPolarHBondContact O-CD2 3.31Å; D276-F278 PolarHBondContact O-N 2.66Å; D276-F278 WeakPolarHBondContact OD1-CB 3.24Å; D276-F278 PolarHBondContact OD1-N 2.87Å; F278-K292 HydrophobicContact CB-CG 4.34Å; F278-K292 HydrophobicContact CD1-CD 4.1Å; F278-K292 HydrophobicContact CD1-CG 3.74Å; F278-K292 HydrophobicContact CE1-CD 4.38Å; F278-K292 HydrophobicContact CE1-CG 4.37Å; F278-K292 HydrophobicContact CG-CD 4.48Å; F278-K292 VanDerWaalsContact CG-CE 3.43Å; F278-K292 HydrophobicContact CG-CG 4.25Å; F278-A293 WeakPolarHBondContact CA-O 3.45Å; F278-L294 HydrophobicContact CD1-CB 3.99Å; F278-L294 HydrophobicContact CD1-CD1 3.9Å; F278-L294 HydrophobicContact CD2-CD1 4.43Å; F278-L294 HydrophobicContact CE1-CB 3.77Å; F278-L294 HydrophobicContact CE1-CD1 3.59Å; F278-L294 HydrophobicContact CE1-CG 4.21Å; F278-L294 HydrophobicContact CE2-CD1 4.15Å; F278-L294 HydrophobicContact CG-CD1 4.31Å; F278-L294 HydrophobicContact CZ-CD1 3.74Å
279V91.4Very high92.3Very high0 Ų040.3 Ų40.30%020%0.198CC..EExtended strand (participates in β ladder)trans-97.7128.6164-170.50000107.4V5 F17 V271 S272 A293 I309 L312V5-V279 HydrophobicContact CG1-CG2 4.4Å; V5-V279 HydrophobicContact CG2-CG2 4.04Å; F17-V279 HydrophobicContact CZ-CG1 3.9Å; V271-V279 HydrophobicContact CG1-CG1 3.49Å; V271-V279 VanDerWaalsContact CG1-CG1 3.49Å; S272-V279 WeakPolarHBondContact O-CA 3.37Å; V279-A293 PolarHBondContact N-O 2.82Å; V279-A293 PolarHBondContact O-N 3.29Å; V279-I309 HydrophobicContact CG2-CD1 3.69Å; V279-L312 HydrophobicContact CG1-CD2 4.2Å; V279-L312 HydrophobicContact CG2-CD2 4.35Å
280R92.4Very high92.3Very high0 Ų039.4 Ų39.40%020%0.198CC..EExtended strand (participates in β ladder)trans-120.6135.9-177.2-65.8176.1179.279.2-3110.2G253 V271 S272 D276 Y282 M289 H291 K292G253-R280 VanDerWaalsContact O-CZ 3.23Å; G253-R280 PolarHBondContact O-NE 3.24Å; G253-R280 PolarHBondContact O-NH2 3.12Å; V271-R280 VanDerWaalsContact CA-O 3.31Å; V271-R280 WeakPolarHBondContact CA-O 3.15Å; S272-R280 PolarHBondContact N-O 2.77Å; S272-R280 PolarHBondContact O-N 2.8Å; D276-R280 VanDerWaalsContact CG-NH1 3.34Å; D276-R280 IonicContact OD1-CZ 3.79Å; D276-R280 IonicContact OD1-NH1 3.81Å; D276-R280 PolarHBondContact OD1-NH1 2.79Å; D276-R280 IonicContact OD1-NH2 2.76Å; D276-R280 IonicContact OD2-CZ 3.55Å; D276-R280 IonicContact OD2-NH1 3.08Å; D276-R280 PolarHBondContact OD2-NH1 3.49Å; D276-R280 IonicContact OD2-NH2 3.84Å; D276-R280 PolarHBondContact OD2-NH2 2.86Å; R280-Y282 HydrophobicContact CB-CD2 4.23Å; R280-Y282 HydrophobicContact CB-CE2 3.52Å; R280-Y282 VanDerWaalsContact CD-OH 3.27Å; R280-Y282 WeakPolarHBondContact CD-OH 3.47Å; R280-M289 HydrophobicContact CG-CE 4.33Å; R280-M289 HydrophobicContact CG-SD 4.24Å; R280-H291 WeakPolarHBondContact CA-O 3.48Å; R280-K292 HydrophobicContact CG-CG 4.36Å
281L93.9Very high92.1Very high11 Ų1143.4 Ų43.46%0.05822%0.217CC..EExtended strand (participates in β ladder)trans-108.6126.7173.5175.867.8000108.6M1 F17 Y269 V271 L290 H291M1-L281 HydrophobicContact SD-CD1 4.07Å; F17-L281 HydrophobicContact CB-CD2 4.33Å; F17-L281 HydrophobicContact CD1-CB 4.26Å; F17-L281 HydrophobicContact CD1-CD2 4.38Å; F17-L281 HydrophobicContact CD2-CB 4.47Å; F17-L281 HydrophobicContact CD2-CD2 4.21Å; F17-L281 HydrophobicContact CE1-CB 3.91Å; F17-L281 HydrophobicContact CE2-CB 4.12Å; F17-L281 HydrophobicContact CG-CD2 4.06Å; F17-L281 HydrophobicContact CZ-CB 3.83Å; Y269-L281 HydrophobicContact CD1-CD1 4.49Å; Y269-L281 HydrophobicContact CG-CD1 4.21Å; V271-L281 HydrophobicContact CG2-CD1 3.67Å; L281-L290 HydrophobicContact CD2-CB 4.45Å; L281-L290 HydrophobicContact CG-CB 4.39Å; L281-L290 HydrophobicContact CG-CD1 4.47Å; L281-L290 PolarHBondContact O-N 3.48Å; L281-H291 HydrophobicContact CB-CB 4.22Å; L281-H291 PolarHBondContact N-O 3.11Å; L281-H291 PolarHBondContact O-N 3.4Å
282Y95Very high91.9Very high3 Ų348.8 Ų48.81%0.01224%0.24CC..EExtended strand (participates in β ladder)trans-120.5147.7176.8-59.9-96000110.8L236 F251 R252 H254 Y269 V270 R280 T288 M289L236-Y282 HydrophobicContact CD2-CE2 4.29Å; F251-Y282 HydrophobicContact CB-CD1 4.12Å; F251-Y282 HydrophobicContact CB-CE1 3.84Å; F251-Y282 HydrophobicContact CB-CE2 4.48Å; F251-Y282 AromaticContact CD1-CD1 3.5Å; F251-Y282 HydrophobicContact CD1-CD1 3.5Å; F251-Y282 HydrophobicContact CD1-CE1 4.09Å; F251-Y282 AromaticContact CD1-CG 3.79Å; F251-Y282 HydrophobicContact CD1-CG 3.79Å; F251-Y282 HydrophobicContact CE1-CD1 4.25Å; F251-Y282 HydrophobicContact CE1-CG 4.23Å; F251-Y282 HydrophobicContact CG-CD1 4.1Å; F251-Y282 HydrophobicContact CG-CE1 4.33Å; F251-Y282 HydrophobicContact CG-CG 4.28Å; R252-Y282 PolarHBondContact O-OH 3.47Å; H254-Y282 AromaticContact CE1-CE2 3.82Å; H254-Y282 AromaticContact CE1-CZ 3.86Å; H254-Y282 PolarHBondContact CE1-OH 3.04Å; H254-Y282 PolarHBondContact ND1-OH 3.43Å; Y269-Y282 WeakPolarHBondContact CA-O 3.44Å; V270-Y282 HydrophobicContact CG1-CD2 4.3Å; V270-Y282 HydrophobicContact CG1-CG 4.39Å; V270-Y282 PolarHBondContact N-O 3.04Å; V270-Y282 PolarHBondContact O-N 3.37Å; R280-Y282 HydrophobicContact CB-CD2 4.23Å; R280-Y282 HydrophobicContact CB-CE2 3.52Å; R280-Y282 VanDerWaalsContact CD-OH 3.27Å; R280-Y282 WeakPolarHBondContact CD-OH 3.47Å; Y282-T288 VanDerWaalsContact CA-O 3.31Å; Y282-T288 WeakPolarHBondContact CA-O 3.39Å; Y282-M289 VanDerWaalsContact CD1-CA 3.47Å; Y282-M289 HydrophobicContact CD1-CB 3.79Å; Y282-M289 HydrophobicContact CD1-CG 4.26Å; Y282-M289 HydrophobicContact CE1-CB 3.63Å; Y282-M289 HydrophobicContact CE1-CE 3.85Å; Y282-M289 HydrophobicContact CE1-CG 3.97Å; Y282-M289 WeakPolarHBondContact OH-CE 3.37Å
283G94.4Very high91.5Very high4 Ų449.7 Ų49.74%0.04125%0.248CC..EExtended strand (participates in β ladder)trans-85.4123.7164.400000109.8T286 K287 T288G283-T286 WeakPolarHBondContact CA-OG1 3.35Å; G283-T286 PolarHBondContact O-OG1 2.97Å; G283-K287 VanDerWaalsContact O-CA 3.29Å; G283-K287 WeakPolarHBondContact O-CA 3.44Å; G283-K287 PolarHBondContact O-N 2.7Å; G283-T288 PolarHBondContact N-O 2.73Å
284I92.8Very high90.9Very high8 Ų852.7 Ų52.74%0.04126%0.263CS..THydrogen-bonded Turntrans-68.8-41.5-179.9-66173.2000110.4H222 L238 P268 V270 K287H222-I284 HydrophobicContact CB-CD1 4.22Å; H222-I284 VanDerWaalsContact CE1-CD1 3.46Å; H222-I284 WeakPolarHBondContact CE1-CD1 3.48Å; H222-I284 VanDerWaalsContact CG-CD1 3.47Å; H222-I284 VanDerWaalsContact ND1-CD1 3.31Å; H222-I284 WeakPolarHBondContact ND1-CD1 3.21Å; L238-I284 HydrophobicContact CD1-CG2 4.46Å; L238-I284 HydrophobicContact CD2-CG2 3.91Å; P268-I284 HydrophobicContact CB-CB 4.3Å; P268-I284 WeakPolarHBondContact O-CB 3.45Å; P268-I284 PolarHBondContact O-N 3.47Å; V270-I284 HydrophobicContact CB-CD1 4.17Å; V270-I284 HydrophobicContact CB-CG1 4.13Å; V270-I284 HydrophobicContact CG1-CG1 4.04Å; I284-K287 WeakPolarHBondContact O-CG 3.2Å
285Q92.3Very high89.8Confident157 Ų15753.2 Ų53.273%0.73427%0.267SS*.THydrogen-bonded Turntrans-71.3-46.5177.6-70.8177-10.600112P268 K287P268-Q285 HydrophobicContact CB-CG 3.92Å; P268-Q285 HydrophobicContact CG-CG 4.22Å; Q285-K287 VanDerWaalsContact C-N 3.26Å; Q285-K287 PolarHBondContact O-N 3.24Å
286T93.7Very high88.3Confident84 Ų8456.6 Ų56.652%0.51527%0.271SS..THydrogen-bonded Turntrans-73.1-21.6-179.763.40000112.4G283 T288G283-T286 WeakPolarHBondContact CA-OG1 3.35Å; G283-T286 PolarHBondContact O-OG1 2.97Å; T286-T288 WeakPolarHBondContact CB-OG1 3.39Å; T286-T288 PolarHBondContact O-N 3.29Å; T286-T288 PolarHBondContact OG1-N 3.03Å; T286-T288 PolarHBondContact OG1-OG1 3.12Å
287K93.5Very high86.3Confident93 Ų9358.7 Ų58.740%0.40428%0.281SS..THydrogen-bonded Turntrans58.725.3-175.9-57.3174.8-176.9-177.60113H249 G283 I284 Q285H249-K287 HydrophobicContact CB-CD 4.06Å; H249-K287 HydrophobicContact CB-CG 4.29Å; H249-K287 PolarHBondContact NE2-O 3.19Å; G283-K287 VanDerWaalsContact O-CA 3.29Å; G283-K287 WeakPolarHBondContact O-CA 3.44Å; G283-K287 PolarHBondContact O-N 2.7Å; I284-K287 WeakPolarHBondContact O-CG 3.2Å; Q285-K287 VanDerWaalsContact C-N 3.26Å; Q285-K287 PolarHBondContact O-N 3.24Å
288T93.6Very high83.7Confident71 Ų7157.7 Ų57.744%0.43630%0.295SS..EExtended strand (participates in β ladder)trans-118.4153.1-177.453.80000111.7Y282 G283 T286 L290Y282-T288 VanDerWaalsContact CA-O 3.31Å; Y282-T288 WeakPolarHBondContact CA-O 3.39Å; G283-T288 PolarHBondContact N-O 2.73Å; T286-T288 WeakPolarHBondContact CB-OG1 3.39Å; T286-T288 PolarHBondContact O-N 3.29Å; T286-T288 PolarHBondContact OG1-N 3.03Å; T286-T288 PolarHBondContact OG1-OG1 3.12Å; T288-L290 PolarHBondContact O-N 3.04Å
289M93.9Very high81Confident71 Ų7160.3 Ų60.335%0.3531%0.307SS..EExtended strand (participates in β ladder)trans-74.5121.8168.2-170.7-176.1-54.400108.5R252 R280 Y282 K292R252-M289 WeakPolarHBondContact O-CE 3.36Å; R280-M289 HydrophobicContact CG-CE 4.33Å; R280-M289 HydrophobicContact CG-SD 4.24Å; Y282-M289 VanDerWaalsContact CD1-CA 3.47Å; Y282-M289 HydrophobicContact CD1-CB 3.79Å; Y282-M289 HydrophobicContact CD1-CG 4.26Å; Y282-M289 HydrophobicContact CE1-CB 3.63Å; Y282-M289 HydrophobicContact CE1-CE 3.85Å; Y282-M289 HydrophobicContact CE1-CG 3.97Å; Y282-M289 WeakPolarHBondContact OH-CE 3.37Å; M289-K292 HydrophobicContact SD-CB 3.93Å; M289-K292 HydrophobicContact SD-CD 4.49Å
290L92.3Very high77.9Confident69 Ų6971.7 Ų71.736%0.36135%0.35SS..EExtended strand (participates in β ladder)trans-90.4-46.1179.7-59.9175.6000110.8Y269 L281 T288Y269-L290 HydrophobicContact CD1-CD1 3.78Å; Y269-L290 HydrophobicContact CE1-CD1 3.51Å; L281-L290 HydrophobicContact CD2-CB 4.45Å; L281-L290 HydrophobicContact CG-CB 4.39Å; L281-L290 HydrophobicContact CG-CD1 4.47Å; L281-L290 PolarHBondContact O-N 3.48Å; T288-L290 PolarHBondContact O-N 3.04Å
291H89.8Confident74.8Confident85 Ų8580 Ų8039%0.39439%0.387SS..EExtended strand (participates in β ladder)trans-141.4150.5179.7-76.1-81.7000112F17 R280 L281F17-H291 HydrophobicContact CD1-CB 3.57Å; F17-H291 HydrophobicContact CE1-CB 3.9Å; R280-H291 WeakPolarHBondContact CA-O 3.48Å; L281-H291 HydrophobicContact CB-CB 4.22Å; L281-H291 PolarHBondContact N-O 3.11Å; L281-H291 PolarHBondContact O-N 3.4Å
292K89.3Confident71.5Confident112 Ų11284.7 Ų84.749%0.48743%0.427SS..EExtended strand (participates in β ladder)trans-132.6121.1172.9178180174.5-175.20108.2F278 R280 M289F278-K292 HydrophobicContact CB-CG 4.34Å; F278-K292 HydrophobicContact CD1-CD 4.1Å; F278-K292 HydrophobicContact CD1-CG 3.74Å; F278-K292 HydrophobicContact CE1-CD 4.38Å; F278-K292 HydrophobicContact CE1-CG 4.37Å; F278-K292 HydrophobicContact CG-CD 4.48Å; F278-K292 VanDerWaalsContact CG-CE 3.43Å; F278-K292 HydrophobicContact CG-CG 4.25Å; R280-K292 HydrophobicContact CG-CG 4.36Å; M289-K292 HydrophobicContact SD-CB 3.93Å; M289-K292 HydrophobicContact SD-CD 4.49Å
293A85.5Confident68.4Low20 Ų2088.4 Ų88.417%0.16545%0.453CS..EExtended strand (participates in β ladder)trans-121.7136.7177.800000109.9V15 F17 F278 V279V15-A293 HydrophobicContact CG1-CB 3.85Å; F17-A293 HydrophobicContact CE1-CB 4.25Å; F278-A293 WeakPolarHBondContact CA-O 3.45Å; V279-A293 PolarHBondContact N-O 2.82Å; V279-A293 PolarHBondContact O-N 3.29Å
294L80.3Confident65.2Low62 Ų6296.3 Ų96.333%0.32549%0.489SS..EExtended strand (participates in β ladder)trans-84.6129.4173.5-176.566.1000109.1R277 F278 R296R277-L294 HydrophobicContact CB-CD1 4.23Å; F278-L294 HydrophobicContact CD1-CB 3.99Å; F278-L294 HydrophobicContact CD1-CD1 3.9Å; F278-L294 HydrophobicContact CD2-CD1 4.43Å; F278-L294 HydrophobicContact CE1-CB 3.77Å; F278-L294 HydrophobicContact CE1-CD1 3.59Å; F278-L294 HydrophobicContact CE1-CG 4.21Å; F278-L294 HydrophobicContact CE2-CD1 4.15Å; F278-L294 HydrophobicContact CG-CD1 4.31Å; F278-L294 HydrophobicContact CZ-CD1 3.74Å; L294-R296 HydrophobicContact CB-CG 4.4Å; L294-R296 HydrophobicContact CD2-CG 3.45Å; L294-R296 VanDerWaalsContact CD2-CG 3.45Å; L294-R296 HydrophobicContact CG-CG 3.91Å; L294-R296 PolarHBondContact O-N 3.14Å
295S67.7Low62.2Low11 Ų11100.5 Ų100.58%0.07751%0.512CS..  trans-74.578.7163.4160.50000108.4K13 R277K13-S295 PolarHBondContact NZ-OG 3.07Å; R277-S295 WeakPolarHBondContact O-CB 3.48Å; R277-S295 PolarHBondContact O-N 3.28Å
296R59.1Low59.5Low151 Ų151100.2 Ų100.257%0.5751%0.508SS*.  trans-64.2148.6178.9-84.6-169.4173.5-163.8-1.3111.4K13 L294 E332K13-R296 PolarHBondContact NZ-O 3.2Å; L294-R296 HydrophobicContact CB-CG 4.4Å; L294-R296 HydrophobicContact CD2-CG 3.45Å; L294-R296 VanDerWaalsContact CD2-CG 3.45Å; L294-R296 HydrophobicContact CG-CG 3.91Å; L294-R296 PolarHBondContact O-N 3.14Å; R296-E332 IonicContact CZ-OE2 3.22Å; R296-E332 IonicContact NH1-OE2 2.87Å; R296-E332 PolarHBondContact NH1-OE2 2.97Å
297Q46.8Very low57.2Low64 Ų6497.5 Ų97.530%0.29949%0.489SS..  trans-129120.9156.1-156.2174.827.500104.9H299 E307Q297-H299 VanDerWaalsContact C-N 3.34Å; Q297-H299 VanDerWaalsContact CG-CD2 3.46Å; Q297-H299 WeakPolarHBondContact CG-CD2 3.46Å; Q297-H299 PolarHBondContact NE2-CD2 3.16Å; Q297-H299 VanDerWaalsContact NE2-CD2 3.27Å; Q297-H299 PolarHBondContact NE2-NE2 3.49Å; Q297-H299 PolarHBondContact O-N 2.58Å; Q297-H299 PolarHBondContact OE1-CD2 2.95Å; Q297-H299 VanDerWaalsContact OE1-CD2 3.26Å; Q297-E307 PolarHBondContact NE2-OE1 3.46Å; Q297-E307 PolarHBondContact NE2-OE2 3.33Å; Q297-E307 PolarHBondContact OE1-OE1 3Å; Q297-E307 PolarHBondContact OE1-OE2 2.91Å
298A29.4Very low55.3Low84 Ų8493.6 Ų93.669%0.69447%0.474SS*.  trans-90.979.4163.100000106.3R300A298-R300 PolarHBondContact O-N 3.49Å
299H33.7Very low53.7Low106 Ų10690.2 Ų90.249%0.49145%0.453SS..  trans-74.9120.2160.8-90.2-59.4000107.5Q297 F301Q297-H299 VanDerWaalsContact C-N 3.34Å; Q297-H299 VanDerWaalsContact CG-CD2 3.46Å; Q297-H299 WeakPolarHBondContact CG-CD2 3.46Å; Q297-H299 PolarHBondContact NE2-CD2 3.16Å; Q297-H299 VanDerWaalsContact NE2-CD2 3.27Å; Q297-H299 PolarHBondContact NE2-NE2 3.49Å; Q297-H299 PolarHBondContact O-N 2.58Å; Q297-H299 PolarHBondContact OE1-CD2 2.95Å; Q297-H299 VanDerWaalsContact OE1-CD2 3.26Å; H299-F301 PolarHBondContact O-N 2.78Å
300R27.2Very low52.1Low239 Ų23988.1 Ų88.190%0.90245%0.45SS*.SBendtrans-68.91.3171.1-94.3-175.5175.3172-1.2113.8A298A298-R300 PolarHBondContact O-N 3.49Å
301F26.5Very low51Low175 Ų17585.7 Ų85.777%0.76844%0.437SS*.SBendtrans-116.3114.4174.8-67.9-78.8000109.7H299 S303H299-F301 PolarHBondContact O-N 2.78Å; F301-S303 VanDerWaalsContact C-N 3.28Å; F301-S303 PolarHBondContact O-N 2.69Å
302A25.6Very low50.4Low109 Ų10982 Ų8290%0.90142%0.421SS*.  trans-57.190.3168.400000109.6
303S28.2Very low49.9Very low81 Ų8179 Ų7957%0.56641%0.408SS*.  trans-134.4129.5153.967.90000107.2F301 N305F301-S303 VanDerWaalsContact C-N 3.28Å; F301-S303 PolarHBondContact O-N 2.69Å; S303-N305 PolarHBondContact O-N 3.24Å
304H27.7Very low49.5Very low170 Ų17078.8 Ų78.879%0.78741%0.405SS*.  trans-67.334.9-171.8-78.9-93000114.5F306H304-F306 WeakPolarHBondContact O-CD2 3.27Å; H304-F306 PolarHBondContact O-N 3.45Å
305N30.3Very low49.3Very low97 Ų9776 Ų7652%0.51939%0.391SS..  trans-8195.7179.4-76-24.4000109.7S303 E307S303-N305 PolarHBondContact O-N 3.24Å; N305-E307 PolarHBondContact O-N 3Å
306F35.8Very low49.1Very low150 Ų15078.6 Ų78.666%0.65841%0.407SS*.  trans-64.3112.1171.4-65.3-89.7000109.5H304H304-F306 WeakPolarHBondContact O-CD2 3.27Å; H304-F306 PolarHBondContact O-N 3.45Å
307E45.5Very low49.3Very low27 Ų2776 Ų7613%0.12641%0.405CS..PPolyproline II helixtrans-93.5123.6175.7-65.1-169.2174.200111.3S9 R277 Q297 N305S9-E307 WeakPolarHBondContact CB-OE1 3.48Å; S9-E307 PolarHBondContact OG-OE1 3.21Å; S9-E307 VanDerWaalsContact OG-OE1 3.13Å; S9-E307 PolarHBondContact OG-OE2 3.26Å; R277-E307 WeakPolarHBondContact CD-O 3.15Å; R277-E307 VanDerWaalsContact CG-O 3.25Å; R277-E307 WeakPolarHBondContact CG-O 3.15Å; Q297-E307 PolarHBondContact NE2-OE1 3.46Å; Q297-E307 PolarHBondContact NE2-OE2 3.33Å; Q297-E307 PolarHBondContact OE1-OE1 3Å; Q297-E307 PolarHBondContact OE1-OE2 2.91Å; N305-E307 PolarHBondContact O-N 3Å
308S52.3Low49.8Very low12 Ų1273.6 Ų73.68%0.08440%0.397CS..PPolyproline II helixtrans-88.2152.2176.3107.70000111.7E8E8-S308 PolarHBondContact N-O 3.4Å; E8-S308 VanDerWaalsContact N-O 3.16Å; E8-S308 WeakPolarHBondContact OE1-CB 3.37Å; E8-S308 PolarHBondContact OE1-OG 3.42Å; E8-S308 PolarHBondContact OE2-N 3.21Å
309I60.1Low50.9Low0 Ų079 Ų790%040%0.399CS..EExtended strand (participates in β ladder)trans-83122.4171.6-66.9169.7000108V5 T259 S273 V279 L312V5-I309 HydrophobicContact CG1-CB 4.13Å; V5-I309 HydrophobicContact CG1-CD1 4.05Å; V5-I309 HydrophobicContact CG1-CG1 3.91Å; V5-I309 HydrophobicContact CG1-CG2 3.19Å; T259-I309 WeakPolarHBondContact CB-O 3.34Å; T259-I309 WeakPolarHBondContact CG2-O 3.24Å; T259-I309 PolarHBondContact OG1-O 3.24Å; S273-I309 WeakPolarHBondContact OG-CG2 3.22Å; V279-I309 HydrophobicContact CG2-CD1 3.69Å; I309-L312 HydrophobicContact CG2-CD2 4.49Å
310G61.2Low51.8Low27 Ų2777.3 Ų77.328%0.27839%0.391SS..EExtended strand (participates in β ladder)trans-89.6-45.7-177.300000114S6S6-G310 PolarHBondContact O-N 3.18Å
311L68.3Low53Low17 Ų1767.4 Ų67.49%0.08936%0.356CS..EExtended strand (participates in β ladder)trans-140.7157.7-168.6-56.4162.1000112V5 S6 I37 V38 M40V5-L311 WeakPolarHBondContact CA-O 3.38Å; S6-L311 PolarHBondContact N-O 3.07Å; S6-L311 WeakPolarHBondContact OG-CB 3.48Å; S6-L311 WeakPolarHBondContact OG-CD1 3.25Å; S6-L311 PolarHBondContact OG-N 2.68Å; I37-L311 HydrophobicContact CG2-CD1 4.03Å; I37-L311 WeakPolarHBondContact O-CD1 3.12Å; V38-L311 VanDerWaalsContact O-CD1 3.27Å; V38-L311 WeakPolarHBondContact O-CD1 3.46Å; M40-L311 HydrophobicContact CE-CB 3.5Å; M40-L311 VanDerWaalsContact CE-CB 3.5Å; M40-L311 HydrophobicContact CE-CD1 4.44Å; M40-L311 HydrophobicContact CG-CD1 4.23Å
312L78.3Confident53.6Low9 Ų964 Ų645%0.04735%0.351CS..EExtended strand (participates in β ladder)trans-134.9141.1176.8-68.7173.9000110.7V3 F4 V5 A260 V262 V271 S273 V279 I309V3-L312 HydrophobicContact CG1-CD2 3.73Å; F4-L312 CarbonylContact O-C 3.57Å; F4-L312 WeakPolarHBondContact O-CA 3.48Å; V5-L312 HydrophobicContact CB-CD2 4.16Å; V5-L312 HydrophobicContact CG1-CD2 3.91Å; V5-L312 HydrophobicContact CG2-CD2 3.64Å; A260-L312 HydrophobicContact CB-CB 4Å; A260-L312 HydrophobicContact CB-CD1 3.94Å; A260-L312 HydrophobicContact CB-CG 3.82Å; V262-L312 HydrophobicContact CG2-CB 3.91Å; V262-L312 WeakPolarHBondContact CG2-O 3.03Å; V271-L312 HydrophobicContact CG1-CD1 4.06Å; S273-L312 VanDerWaalsContact N-CD1 3.34Å; S273-L312 WeakPolarHBondContact OG-CD1 3.14Å; V279-L312 HydrophobicContact CG1-CD2 4.2Å; V279-L312 HydrophobicContact CG2-CD2 4.35Å; I309-L312 HydrophobicContact CG2-CD2 4.49Å
313Q79.5Confident54.2Low48 Ų4861 Ų6122%0.22433%0.327CS..EExtended strand (participates in β ladder)trans-135.9141.6165.3-76.9-65-11.700109.6V3 F4 M40 L47V3-Q313 CarbonylContact C-O 3.53Å; V3-Q313 WeakPolarHBondContact CA-O 3.29Å; V3-Q313 WeakPolarHBondContact CG1-O 3.42Å; F4-Q313 PolarHBondContact N-O 3.13Å; F4-Q313 PolarHBondContact O-N 3.2Å; M40-Q313 HydrophobicContact CB-CG 3.73Å; M40-Q313 HydrophobicContact CE-CG 4.28Å; M40-Q313 PolarHBondContact O-NE2 2.9Å; L47-Q313 HydrophobicContact CD1-CB 4.21Å; L47-Q313 HydrophobicContact CD1-CG 4.18Å
314V76.7Confident54.7Low15 Ų1565.9 Ų65.99%0.09133%0.333CS..EExtended strand (participates in β ladder)trans-98.2143.9175.4172.50000108.2M1 V3 W42 V262M1-V314 HydrophobicContact CE-CB 3.93Å; M1-V314 HydrophobicContact CE-CG1 3.26Å; M1-V314 HydrophobicContact CE-CG2 3.33Å; M1-V314 HydrophobicContact CG-CG1 4.29Å; V3-V314 HydrophobicContact CG2-CG2 4.33Å; W42-V314 PolarHBondContact NE1-O 3.26Å; V262-V314 HydrophobicContact CB-CG2 4.12Å; V262-V314 HydrophobicContact CG1-CB 4.29Å; V262-V314 HydrophobicContact CG1-CG2 3.63Å
315S75.9Confident54.7Low5 Ų569.6 Ų69.64%0.03534%0.34CS..  trans-57.2135.1174.359.20000111.2D2 N317 G318 R319D2-S315 PolarHBondContact O-N 2.84Å; S315-N317 PolarHBondContact O-N 3.27Å; S315-G318 PolarHBondContact O-N 3.21Å; S315-R319 PolarHBondContact OG-O 3.36Å
316P64.1Low54.7Low64 Ų6470.9 Ų70.942%0.41635%0.347SS..THydrogen-bonded Turntrans-57.8-26-169.512.4-24.7000113.7W42W42-P316 HydrophobicContact CD2-CG 4.07Å; W42-P316 VanDerWaalsContact CE2-CD 3.48Å; W42-P316 HydrophobicContact CE3-CG 4.18Å; W42-P316 HydrophobicContact CG-CG 4.27Å
317N62.4Low54.4Low98 Ų9874 Ų7452%0.52436%0.361SS..THydrogen-bonded Turntrans-100.31179.5-64-34000114.2S315 R319S315-N317 PolarHBondContact O-N 3.27Å; N317-R319 HydrophobicContact CB-CB 4.42Å; N317-R319 HydrophobicContact CB-CG 4.43Å; N317-R319 PolarHBondContact O-N 3.36Å
318G57.2Low53.6Low13 Ų1376.3 Ų76.313%0.13439%0.392CS..  trans64.4-7.6-173.600000115.2M1 H264 S315M1-G318 VanDerWaalsContact CA-O 3.24Å; M1-G318 WeakPolarHBondContact CA-O 3.18Å; H264-G318 WeakPolarHBondContact NE2-CA 3.45Å; S315-G318 PolarHBondContact O-N 3.21Å
319R51.7Low52.3Low198 Ų19884 Ų8475%0.74743%0.426SS*.  trans-74.7150.1-177-73.7-176.6178.7-176.20.1110.8S315 N317S315-R319 PolarHBondContact OG-O 3.36Å; N317-R319 HydrophobicContact CB-CB 4.42Å; N317-R319 HydrophobicContact CB-CG 4.43Å; N317-R319 PolarHBondContact O-N 3.36Å
320H53Low50.9Low69 Ų6990 Ų9032%0.31947%0.466SS..  trans-74.4126.7169178.2-100.6000109.3D2 S16D2-H320 IonicContact OD1-CD2 2.69Å; D2-H320 PolarHBondContact OD1-CD2 3.43Å; D2-H320 WeakPolarHBondContact OD2-CA 3.45Å; D2-H320 IonicContact OD2-CD2 2.7Å; D2-H320 IonicContact OD2-CG 2.77Å; S16-H320 PolarHBondContact OG-CD2 3.07Å; S16-H320 PolarHBondContact OG-NE2 3.3Å
321I53.7Low49.3Very low31 Ų3199.4 Ų99.416%0.15949%0.493CS..  trans-94.7106.3177.9-59171.7000107.2D2 R14 V61 A323D2-I321 PolarHBondContact OD2-N 3.17Å; R14-I321 PolarHBondContact NH1-O 2.77Å; R14-I321 PolarHBondContact NH2-O 2.77Å; V61-I321 HydrophobicContact CG1-CD1 3.73Å; V61-I321 HydrophobicContact CG1-CG2 4.13Å; I321-A323 PolarHBondContact O-N 3.43Å; I321-A323 VanDerWaalsContact O-N 3.15Å
322P37.4Very low47.5Very low104 Ų104105.6 Ų105.668%0.67552%0.522SS*.PPolyproline II helixtrans-52.9127.6-176.719.7-30.1000112.1
323A39.9Very low45.3Very low47 Ų47108.4 Ų108.439%0.38855%0.552SS.*PPolyproline II helixtrans-66.4141177.100000110.2Y23 I321 R325Y23-A323 HydrophobicContact CE1-CB 4.49Å; I321-A323 PolarHBondContact O-N 3.43Å; I321-A323 VanDerWaalsContact O-N 3.15Å; A323-R325 PolarHBondContact O-N 3.32Å
324R38.4Very low42.9Very low183 Ų183109.5 Ų109.569%0.69158%0.577SS**PPolyproline II helixtrans-62.6132.8169.5-86.3-171.2174.7-147.8-3.7109.6P62 N326P62-R324 PolarHBondContact O-NE 3.45Å; R324-N326 VanDerWaalsContact C-N 3.35Å; R324-N326 PolarHBondContact O-N 3.22Å
325R27.7Very low40.5Very low247 Ų247113 Ų11393%0.93261%0.608SS**  trans-67.395.9157.6-83.9-177.6173.4178.6-1.5107.1A323A323-R325 PolarHBondContact O-N 3.32Å
326N30.1Very low38.2Very low124 Ų124119 Ų11966%0.66364%0.644SS**  trans-143.5143.4159.8-90-19.9000109.3R324R324-N326 VanDerWaalsContact C-N 3.35Å; R324-N326 PolarHBondContact O-N 3.22Å
327F28.7Very low36.6Very low217 Ų217125.8 Ų125.895%0.95267%0.667SS**SBendtrans-69.3141.1-150.2-77.9-105.9000115.4
328G28.6Very low35.7Very low75 Ų75130 Ų13077%0.77370%0.704SS**  trans153.883174.900000111.4
329H26.3Very low34.6Very low174 Ų174135.8 Ų135.881%0.80673%0.733SS**  trans-61.3135.6179.2-89.6-14.8000113.2
330C29.2Very low33.7Very low124 Ų124132.5 Ų132.584%0.83873%0.732SS**  trans-14478.6136.2-95.40000108.3
331R29.2Very low32.6Very low226 Ų226136.1 Ų136.185%0.85376%0.755SS**  trans-85.8103.2155.3-85-176172.6-175.2-2.8106.5G333R331-G333 VanDerWaalsContact C-N 3.25Å; R331-G333 PolarHBondContact O-N 2.84Å
332E29Very low31.4Very low147 Ų147142.2 Ų142.269%0.68779%0.79SS**  trans-78.990.4150.8-79.7-178.3170.500106.1R296R296-E332 IonicContact CZ-OE2 3.22Å; R296-E332 IonicContact NH1-OE2 2.87Å; R296-E332 PolarHBondContact NH1-OE2 2.97Å
333G33.1Very low31Very low67 Ų67144.6 Ų144.669%0.69180%0.797SS**PPolyproline II helixtrans-66.2130.6167.400000108.9R331R331-G333 VanDerWaalsContact C-N 3.25Å; R331-G333 PolarHBondContact O-N 2.84Å
334G29.7Very low30.4Very low72 Ų72151.1 Ų151.174%0.74282%0.824SS**PPolyproline II helixtrans-57.7140.9170.100000110.8T336G334-T336 PolarHBondContact O-N 3.19Å
335A25.4Very low29.9Very low89 Ų89148.9 Ų148.974%0.73683%0.834SS**PPolyproline II helixtrans-55.2123.217000000110.4F337A335-F337 HydrophobicContact CB-CD2 4.39Å; A335-F337 HydrophobicContact CB-CE2 4.45Å
336T28.4Very low30Very low131 Ų131141.3 Ų141.380%0.80483%0.826SS**  trans-103.7106.1151.6460000106.5G334G334-T336 PolarHBondContact O-N 3.19Å
337F29.1Very low30Very low205 Ų205142.8 Ų142.890%0.89984%0.84SS**  trans-74.4125.9155.4-80.1-92.8000107A335A335-F337 HydrophobicContact CB-CD2 4.39Å; A335-F337 HydrophobicContact CB-CE2 4.45Å
338S43.9Very low30.2Very low186 Ų186136 Ų136100%1.30183%0.83SS**  trans-136.90162.855.30000107.4

Retrieved 338 of 338 residues in 900.2 ms (Link to these results)

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