A0A087X9C0_POEFO Loading...

Transcription factor IIIB 90 kDa subunit

AlphaFold DB , UniProt , Accession A0A087X9C0, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 701 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
1M39.3Very low72Confident245 Ų245105.1 Ų105.1100%1.20759%0.591SS**  0113.60-72166.2163.400107.1
2S42.6Very low73Confident113 Ų113104.9 Ų104.979%0.7960%0.602SS**  trans-73.3132.6173.7-64.60000109.1R4S2-R4 PolarHBondContact O-N 3.41Å
3S55Low73.9Confident110 Ų110104.7 Ų104.777%0.76960%0.597SS**  trans-62.599.7169.140.60000109.1V5S3-V5 PolarHBondContact O-N 3.11Å
4R71.6Confident74.8Confident112 Ų11299.5 Ų99.542%0.42357%0.567SS.*  trans-71.3115.3169.9-66.5177177-164.3-10.7106.4S2 I14 E33S2-R4 PolarHBondContact O-N 3.41Å; R4-I14 HydrophobicContact CB-CD1 3.44Å; R4-I14 VanDerWaalsContact CB-CD1 3.44Å; R4-I14 WeakPolarHBondContact O-CD1 3.34Å; R4-E33 IonicContact CZ-OE1 3.68Å; R4-E33 IonicContact CZ-OE2 2.62Å; R4-E33 IonicContact NE-OE1 2.67Å; R4-E33 VanDerWaalsContact NH1-CD 3.34Å; R4-E33 IonicContact NH1-OE1 3.92Å; R4-E33 IonicContact NH1-OE2 3.8Å; R4-E33 PolarHBondContact NH1-OE2 3.4Å; R4-E33 IonicContact NH2-OE1 3.49Å; R4-E33 PolarHBondContact NH2-OE1 3.08Å; R4-E33 IonicContact NH2-OE2 2.64Å; R4-E33 PolarHBondContact NH2-OE2 3.25Å
5V86.6Confident75.5Confident76 Ų7699.8 Ų99.846%0.46157%0.566SS.*  trans-117.1135175.9-173.30000107.3S3 R7 G10S3-V5 PolarHBondContact O-N 3.11Å; V5-R7 PolarHBondContact O-N 2.83Å; V5-G10 VanDerWaalsContact CG1-O 3.22Å; V5-G10 WeakPolarHBondContact CG1-O 3.36Å
6C83.8Confident76.1Confident3 Ų398.2 Ų98.22%0.0256%0.559CS.*  trans-64.2123.1-178.7-179.20000111.3T8 G10 G11 C25 C28 S30 L32C6-T8 PolarHBondContact O-N 3.35Å; C6-G10 VanDerWaalsContact O-CA 3.29Å; C6-G10 WeakPolarHBondContact O-CA 3.06Å; C6-G10 PolarHBondContact O-N 3.32Å; C6-G11 WeakPolarHBondContact CB-O 3.36Å; C6-G11 PolarHBondContact N-O 3.15Å; C6-C25 HydrophobicContact CB-CB 3.85Å; C6-C25 VanDerWaalsContact CB-SG 3.53Å; C6-C28 PolarHBondContact SG-SG 3.25Å; C6-S30 PolarHBondContact SG-OG 2.96Å; C6-L32 HydrophobicContact CB-CD1 4.38Å; C6-L32 HydrophobicContact CB-CD2 4.32Å
7R82.8Confident76.4Confident247 Ų24795.6 Ų95.693%0.93254%0.543SS*.THydrogen-bonded Turntrans-66.3-21.2-179.6-64.4-174.8-179.7-173.11.5113.5V5V5-R7 PolarHBondContact O-N 2.83Å
8T80.7Confident76.5Confident107 Ų10796.2 Ų96.266%0.65654%0.54SS*.THydrogen-bonded Turntrans-94.3-35.9-171.6-38.70000112.7C6 S30C6-T8 PolarHBondContact O-N 3.35Å; T8-S30 PolarHBondContact OG1-OG 3.25Å
9C85.4Confident76.3Confident65 Ų6596.5 Ų96.544%0.43956%0.556SS.*THydrogen-bonded Turntrans-127-2.8-176.969.20000115G11 C28C9-G11 PolarHBondContact O-N 3.42Å; C9-G11 PolarHBondContact SG-N 3.16Å; C9-C28 HydrophobicContact CB-CB 3.98Å; C9-C28 PolarHBondContact SG-SG 3.01Å
10G82.8Confident76.3Confident53 Ų53101.5 Ų101.555%0.54657%0.565SS.*  trans720.4-176.600000115.1V5 C6V5-G10 VanDerWaalsContact CG1-O 3.22Å; V5-G10 WeakPolarHBondContact CG1-O 3.36Å; C6-G10 VanDerWaalsContact O-CA 3.29Å; C6-G10 WeakPolarHBondContact O-CA 3.06Å; C6-G10 PolarHBondContact O-N 3.32Å
11G81.4Confident76.4Confident25 Ų2597.2 Ų97.226%0.25854%0.544SS..  trans-64.6137.6178.600000112.9C6 C9C6-G11 WeakPolarHBondContact CB-O 3.36Å; C6-G11 PolarHBondContact N-O 3.15Å; C9-G11 PolarHBondContact O-N 3.42Å; C9-G11 PolarHBondContact SG-N 3.16Å
12S84.5Confident78.6Confident103 Ų10386 Ų8672%0.7249%0.49SS*.  trans-89.1-6.5171.156.40000113.5
13D84.1Confident80.7Confident102 Ų10280.6 Ų80.655%0.54545%0.452SS..  trans-87.9117.2-180-16833.3000110.4C25 T26D13-C25 PolarHBondContact O-SG 2.75Å; D13-T26 WeakPolarHBondContact CB-OG1 3.29Å; D13-T26 PolarHBondContact O-N 3.27Å; D13-T26 PolarHBondContact O-OG1 3.11Å; D13-T26 WeakPolarHBondContact OD2-CB 3.41Å; D13-T26 PolarHBondContact OD2-OG1 3.07Å
14I86.1Confident82.3Confident32 Ų3277.4 Ų77.416%0.16443%0.428CS..EExtended strand (participates in β ladder)trans-140115.7-170.2-59.9169.2000107.4R4 V16 A23 V24 L32R4-I14 HydrophobicContact CB-CD1 3.44Å; R4-I14 VanDerWaalsContact CB-CD1 3.44Å; R4-I14 WeakPolarHBondContact O-CD1 3.34Å; I14-V16 HydrophobicContact CG2-CG2 4.34Å; I14-A23 HydrophobicContact CG2-CB 4Å; I14-V24 CarbonylContact C-O 3.55Å; I14-V24 WeakPolarHBondContact CA-O 3.43Å; I14-L32 HydrophobicContact CD1-CD1 3.34Å; I14-L32 HydrophobicContact CG1-CD1 3.62Å; I14-L32 HydrophobicContact CG2-CD1 4.1Å
15D85Confident83.2Confident104 Ų10472.1 Ų72.156%0.55641%0.408SS*.EExtended strand (participates in β ladder)trans-80.2141.7170.8-171.620.6000109.8A23 V24 T26D15-A23 CarbonylContact O-C 3.39Å; D15-A23 WeakPolarHBondContact O-CA 3.46Å; D15-V24 PolarHBondContact N-O 2.89Å; D15-V24 PolarHBondContact O-N 3.27Å; D15-T26 HydrophobicContact CB-CG2 3.95Å
16V85.4Confident83.2Confident74 Ų7472.1 Ų72.145%0.44841%0.408SS..EExtended strand (participates in β ladder)trans-125.593.2-174.3171.30000108.4I14 Q18 A23 I36I14-V16 HydrophobicContact CG2-CG2 4.34Å; V16-Q18 PolarHBondContact O-N 3.02Å; V16-Q18 VanDerWaalsContact O-N 3.16Å; V16-A23 HydrophobicContact CG2-CB 4.21Å; V16-I36 HydrophobicContact CG1-CD1 3.56Å
17D82.3Confident83.1Confident54 Ų5475.2 Ų75.229%0.28944%0.44SS..EExtended strand (participates in β ladder)trans-78.3100.7175.2-174.6-23.2000109.1A19 R20 G21 S22D17-A19 VanDerWaalsContact C-N 3.3Å; D17-A19 PolarHBondContact O-N 2.75Å; D17-A19 WeakPolarHBondContact OD1-CA 3.43Å; D17-A19 WeakPolarHBondContact OD1-CB 3.42Å; D17-A19 PolarHBondContact OD1-N 2.93Å; D17-R20 HydrophobicContact CB-CB 4.24Å; D17-R20 PolarHBondContact OD1-N 3.2Å; D17-R20 WeakPolarHBondContact OD2-CD 3.5Å; D17-R20 WeakPolarHBondContact OD2-CG 3.28Å; D17-G21 WeakPolarHBondContact O-CA 3.42Å; D17-G21 PolarHBondContact O-N 3.36Å; D17-S22 PolarHBondContact N-O 3.48Å; D17-S22 VanDerWaalsContact N-O 3.1Å; D17-S22 PolarHBondContact O-N 3.31Å; D17-S22 VanDerWaalsContact O-N 3.11Å
18Q77.6Confident83.4Confident107 Ų10766.1 Ų66.150%0.541%0.414SS..THydrogen-bonded Turntrans-70.4-23.1178.6-171.5170.9-5.100112.9V16 E40V16-Q18 PolarHBondContact O-N 3.02Å; V16-Q18 VanDerWaalsContact O-N 3.16Å; Q18-E40 PolarHBondContact NE2-OE1 3.29Å; Q18-E40 PolarHBondContact NE2-OE2 3.18Å
19A73.5Confident83.5Confident101 Ų10163.4 Ų63.484%0.83541%0.408SS*.THydrogen-bonded Turntrans-79.4-32.8177.900000112D17D17-A19 VanDerWaalsContact C-N 3.3Å; D17-A19 PolarHBondContact O-N 2.75Å; D17-A19 WeakPolarHBondContact OD1-CA 3.43Å; D17-A19 WeakPolarHBondContact OD1-CB 3.42Å; D17-A19 PolarHBondContact OD1-N 2.93Å
20R76.4Confident83.5Confident197 Ų19761.6 Ų61.674%0.74340%0.396SS*.THydrogen-bonded Turntrans-91.6-14.5172.4-63.6-177.767.1-168.1-4.5113.6D17 S22D17-R20 HydrophobicContact CB-CB 4.24Å; D17-R20 PolarHBondContact OD1-N 3.2Å; D17-R20 WeakPolarHBondContact OD2-CD 3.5Å; D17-R20 WeakPolarHBondContact OD2-CG 3.28Å; R20-S22 VanDerWaalsContact C-N 3.33Å
21G78.1Confident83.6Confident12 Ų1262.5 Ų62.512%0.12439%0.39CS..THydrogen-bonded Turntrans66.432.5-177.500000113.1D17 N35 I36D17-G21 WeakPolarHBondContact O-CA 3.42Å; D17-G21 PolarHBondContact O-N 3.36Å; G21-N35 CarbonylContact O-C 3.59Å; G21-N35 VanDerWaalsContact O-CA 3.27Å; G21-N35 WeakPolarHBondContact O-CA 3.4Å; G21-N35 PolarHBondContact O-N 2.72Å; G21-I36 PolarHBondContact O-N 3.38Å
22S85.4Confident83.7Confident9 Ų963.9 Ų63.96%0.06339%0.391CS..EExtended strand (participates in β ladder)trans-128.2133.5-17359.50000112.3D17 R20 E33D17-S22 PolarHBondContact N-O 3.48Å; D17-S22 VanDerWaalsContact N-O 3.1Å; D17-S22 PolarHBondContact O-N 3.31Å; D17-S22 VanDerWaalsContact O-N 3.11Å; R20-S22 VanDerWaalsContact C-N 3.33Å; S22-E33 WeakPolarHBondContact CA-O 3.43Å
23A87Confident83.5Confident0 Ų062.3 Ų62.30%037%0.373CS..EExtended strand (participates in β ladder)trans-100.1121.9174.900000109.8I14 D15 V16 V31 L32 E33 I36I14-A23 HydrophobicContact CG2-CB 4Å; D15-A23 CarbonylContact O-C 3.39Å; D15-A23 WeakPolarHBondContact O-CA 3.46Å; V16-A23 HydrophobicContact CG2-CB 4.21Å; A23-V31 CarbonylContact O-C 3.56Å; A23-V31 WeakPolarHBondContact O-CA 3.4Å; A23-L32 PolarHBondContact O-N 3.48Å; A23-E33 HydrophobicContact CB-CB 4.33Å; A23-E33 PolarHBondContact N-O 2.78Å; A23-I36 HydrophobicContact CB-CD1 3.91Å; A23-I36 HydrophobicContact CB-CG1 4.43Å
24V88.5Confident83.1Confident42 Ų4262.9 Ų62.926%0.25538%0.376SS..EExtended strand (participates in β ladder)trans-126132.8-172.8-169.90000110.2I14 D15 T26 G29 V31I14-V24 CarbonylContact C-O 3.55Å; I14-V24 WeakPolarHBondContact CA-O 3.43Å; D15-V24 PolarHBondContact N-O 2.89Å; D15-V24 PolarHBondContact O-N 3.27Å; V24-T26 PolarHBondContact O-N 2.74Å; V24-G29 WeakPolarHBondContact CG1-O 3.47Å; V24-V31 HydrophobicContact CG2-CG1 4.49Å; V24-V31 HydrophobicContact CG2-CG2 4.2Å
25C89.3Confident82.5Confident1 Ų168 Ų681%0.00740%0.403CS..EExtended strand (participates in β ladder)trans-73.7123.6174.7-176.90000110.9C6 D13 G27 G29 S30 L32C6-C25 HydrophobicContact CB-CB 3.85Å; C6-C25 VanDerWaalsContact CB-SG 3.53Å; D13-C25 PolarHBondContact O-SG 2.75Å; C25-G27 VanDerWaalsContact C-N 3.31Å; C25-G27 PolarHBondContact O-N 3.08Å; C25-G29 VanDerWaalsContact O-CA 3.3Å; C25-G29 WeakPolarHBondContact O-CA 3.4Å; C25-G29 PolarHBondContact O-N 3.29Å; C25-S30 PolarHBondContact N-O 3.49Å; C25-L32 HydrophobicContact CB-CD1 4.39Å
26T86.8Confident82Confident77 Ų7764.6 Ų64.647%0.47239%0.385SS..THydrogen-bonded Turntrans-62.2-36.7-179.554.90000112.5D13 D15 V24 C28D13-T26 WeakPolarHBondContact CB-OG1 3.29Å; D13-T26 PolarHBondContact O-N 3.27Å; D13-T26 PolarHBondContact O-OG1 3.11Å; D13-T26 WeakPolarHBondContact OD2-CB 3.41Å; D13-T26 PolarHBondContact OD2-OG1 3.07Å; D15-T26 HydrophobicContact CB-CG2 3.95Å; V24-T26 PolarHBondContact O-N 2.74Å; T26-C28 PolarHBondContact O-N 2.88Å
27G82.9Confident81.3Confident67 Ų6769 Ų6969%0.69140%0.404SS*.THydrogen-bonded Turntrans-77.1-17-174.700000116C25C25-G27 VanDerWaalsContact C-N 3.31Å; C25-G27 PolarHBondContact O-N 3.08Å
28C87.6Confident80.5Confident56 Ų5669.4 Ų69.438%0.37841%0.409SS..THydrogen-bonded Turntrans-143.30.3-179.968.30000115.4C6 C9 T26 S30C6-C28 PolarHBondContact SG-SG 3.25Å; C9-C28 HydrophobicContact CB-CB 3.98Å; C9-C28 PolarHBondContact SG-SG 3.01Å; T26-C28 PolarHBondContact O-N 2.88Å; C28-S30 PolarHBondContact O-N 2.68Å; C28-S30 VanDerWaalsContact O-N 3.17Å; C28-S30 PolarHBondContact SG-OG 3Å
29G83.4Confident80.1Confident51 Ų5170.3 Ų70.353%0.52643%0.427SS..  trans69.83.9178.700000115.5V24 C25 V31V24-G29 WeakPolarHBondContact CG1-O 3.47Å; C25-G29 VanDerWaalsContact O-CA 3.3Å; C25-G29 WeakPolarHBondContact O-CA 3.4Å; C25-G29 PolarHBondContact O-N 3.29Å; G29-V31 PolarHBondContact O-N 2.91Å
30S84.4Confident79.9Confident27 Ų2771.7 Ų71.719%0.18942%0.416CS..  trans-74.9126.7179.9690000111.3C6 T8 C25 C28C6-S30 PolarHBondContact SG-OG 2.96Å; T8-S30 PolarHBondContact OG1-OG 3.25Å; C25-S30 PolarHBondContact N-O 3.49Å; C28-S30 PolarHBondContact O-N 2.68Å; C28-S30 VanDerWaalsContact O-N 3.17Å; C28-S30 PolarHBondContact SG-OG 3Å
31V86.4Confident79.5Confident71 Ų7166.9 Ų66.943%0.4341%0.408SS..EExtended strand (participates in β ladder)trans-69.1129.9171-167.30000109.3A23 V24 G29 D34A23-V31 CarbonylContact O-C 3.56Å; A23-V31 WeakPolarHBondContact O-CA 3.4Å; V24-V31 HydrophobicContact CG2-CG1 4.49Å; V24-V31 HydrophobicContact CG2-CG2 4.2Å; G29-V31 PolarHBondContact O-N 2.91Å; V31-D34 WeakPolarHBondContact CG1-OD1 3.39Å
32L83.1Confident79.1Confident54 Ų5472.8 Ų72.828%0.28343%0.433SS..EExtended strand (participates in β ladder)trans-101.9-33.3-177.4-62.2177.3000112.2C6 I14 A23 C25C6-L32 HydrophobicContact CB-CD1 4.38Å; C6-L32 HydrophobicContact CB-CD2 4.32Å; I14-L32 HydrophobicContact CD1-CD1 3.34Å; I14-L32 HydrophobicContact CG1-CD1 3.62Å; I14-L32 HydrophobicContact CG2-CD1 4.1Å; A23-L32 PolarHBondContact O-N 3.48Å; C25-L32 HydrophobicContact CB-CD1 4.39Å
33E80.1Confident78.6Confident71 Ų7178.5 Ų78.533%0.33246%0.456SS..EExtended strand (participates in β ladder)trans-143.8130.4172.6-70.2-178.5-178.900109.9R4 S22 A23 I36R4-E33 IonicContact CZ-OE1 3.68Å; R4-E33 IonicContact CZ-OE2 2.62Å; R4-E33 IonicContact NE-OE1 2.67Å; R4-E33 VanDerWaalsContact NH1-CD 3.34Å; R4-E33 IonicContact NH1-OE1 3.92Å; R4-E33 IonicContact NH1-OE2 3.8Å; R4-E33 PolarHBondContact NH1-OE2 3.4Å; R4-E33 IonicContact NH2-OE1 3.49Å; R4-E33 PolarHBondContact NH2-OE1 3.08Å; R4-E33 IonicContact NH2-OE2 2.64Å; R4-E33 PolarHBondContact NH2-OE2 3.25Å; S22-E33 WeakPolarHBondContact CA-O 3.43Å; A23-E33 HydrophobicContact CB-CB 4.33Å; A23-E33 PolarHBondContact N-O 2.78Å; E33-I36 HydrophobicContact CB-CG1 4.44Å
34D74.8Confident78.3Confident114 Ų11482.3 Ų82.361%0.6148%0.479SS*.EExtended strand (participates in β ladder)trans-102.9130.9165.6-74.4-54.4000108.9V31V31-D34 WeakPolarHBondContact CG1-OD1 3.39Å
35N73.4Confident77.8Confident139 Ų13986.9 Ų86.974%0.74350%0.498SS*.SBendtrans69.263.6-172.7-42.8-87.2000113.3G21 I37G21-N35 CarbonylContact O-C 3.59Å; G21-N35 VanDerWaalsContact O-CA 3.27Å; G21-N35 WeakPolarHBondContact O-CA 3.4Å; G21-N35 PolarHBondContact O-N 2.72Å; N35-I37 PolarHBondContact O-N 3.46Å
36I75.6Confident77.4Confident33 Ų3388.5 Ų88.517%0.16952%0.515CS..  trans-54.6125.9167.9-60.2172.1000109.3V16 G21 A23 E33 V38V16-I36 HydrophobicContact CG1-CD1 3.56Å; G21-I36 PolarHBondContact O-N 3.38Å; A23-I36 HydrophobicContact CB-CD1 3.91Å; A23-I36 HydrophobicContact CB-CG1 4.43Å; E33-I36 HydrophobicContact CB-CG1 4.44Å; I36-V38 PolarHBondContact O-N 2.97Å
37I70.6Confident77Confident166 Ų16691.7 Ų91.785%0.85154%0.541SS*.  trans-72.599.1173.6-56.9174.8000108.1N35N35-I37 PolarHBondContact O-N 3.46Å
38V65.5Low76.8Confident63 Ų6391.7 Ų91.738%0.38254%0.54SS..  trans-73.3137.6176.7-164.10000109.6I36 E40I36-V38 PolarHBondContact O-N 2.97Å; V38-E40 HydrophobicContact CG1-CB 3.89Å; V38-E40 HydrophobicContact CG1-CG 4.01Å; V38-E40 PolarHBondContact O-N 2.95Å
39S68.4Low76.4Confident126 Ų12691.5 Ų91.588%0.88155%0.548SS*.  trans-80.3-1.4176.849.40000114.3
40E70Confident76Confident130 Ų13094 Ų9461%0.60755%0.553SS**SBendtrans-85.2143.9-178.2-68172.8-168.500111.4Q18 V38 Q42Q18-E40 PolarHBondContact NE2-OE1 3.29Å; Q18-E40 PolarHBondContact NE2-OE2 3.18Å; V38-E40 HydrophobicContact CG1-CB 3.89Å; V38-E40 HydrophobicContact CG1-CG 4.01Å; V38-E40 PolarHBondContact O-N 2.95Å; E40-Q42 PolarHBondContact O-N 2.79Å
41V68.6Low75.6Confident95 Ų9596.3 Ų96.358%0.57657%0.569SS**  trans-82.898.9-177.9-176.50000109.6F43 A53V41-F43 HydrophobicContact CB-CE2 4.28Å; V41-F43 HydrophobicContact CG1-CD2 4.49Å; V41-F43 HydrophobicContact CG1-CE1 4.49Å; V41-F43 HydrophobicContact CG1-CE2 3.89Å; V41-F43 HydrophobicContact CG1-CZ 3.89Å; V41-F43 VanDerWaalsContact O-CD2 3.3Å; V41-F43 WeakPolarHBondContact O-CD2 3.32Å; V41-F43 WeakPolarHBondContact O-CE2 3.41Å; V41-A53 HydrophobicContact CG1-CB 3.61Å
42Q70Confident75.1Confident137 Ų13796.6 Ų96.664%0.6457%0.574SS**  trans-73.7133.3172.7-167.1175.922.500110.5E40 A53 V54E40-Q42 PolarHBondContact O-N 2.79Å; Q42-A53 CarbonylContact O-C 3.58Å; Q42-A53 WeakPolarHBondContact O-CA 3.45Å; Q42-V54 PolarHBondContact O-N 2.93Å
43F74Confident74.6Confident128 Ų12896 Ų9656%0.56158%0.577SS**EExtended strand (participates in β ladder)trans-103.8128.8173-65.1-95.3000109.5V41 S52 A53V41-F43 HydrophobicContact CB-CE2 4.28Å; V41-F43 HydrophobicContact CG1-CD2 4.49Å; V41-F43 HydrophobicContact CG1-CE1 4.49Å; V41-F43 HydrophobicContact CG1-CE2 3.89Å; V41-F43 HydrophobicContact CG1-CZ 3.89Å; V41-F43 VanDerWaalsContact O-CD2 3.3Å; V41-F43 WeakPolarHBondContact O-CD2 3.32Å; V41-F43 WeakPolarHBondContact O-CE2 3.41Å; F43-S52 WeakPolarHBondContact CA-O 3.44Å; F43-A53 HydrophobicContact CD1-CB 4.11Å; F43-A53 HydrophobicContact CE1-CB 3.93Å
44V79.9Confident73.9Confident80 Ų8096.6 Ų96.649%0.48559%0.585SS.*EExtended strand (participates in β ladder)trans-106127.2169.8165.10000108.4G46 S52 V54V44-G46 PolarHBondContact O-N 3.05Å; V44-S52 PolarHBondContact N-O 2.79Å; V44-S52 PolarHBondContact O-N 2.93Å; V44-V54 HydrophobicContact CB-CG2 3.74Å; V44-V54 HydrophobicContact CG2-CG2 3.36Å
45E79.8Confident73.5Confident138 Ų13894.6 Ų94.665%0.64559%0.591SS**EExtended strand (participates in β ladder)trans-77.6113.3176.2-156.8168.4-164.500109.4
46G80.6Confident73Confident35 Ų3594.4 Ų94.436%0.36159%0.586SS.*EExtended strand (participates in β ladder)trans-67.9159.5173.900000111.1V44 G48 G49 V50V44-G46 PolarHBondContact O-N 3.05Å; G46-G48 PolarHBondContact O-N 3.4Å; G46-G49 PolarHBondContact O-N 3.39Å; G46-V50 PolarHBondContact N-O 3.22Å
47S78.7Confident72.2Confident145 Ų145101.2 Ų101.2100%1.01462%0.615SS**THydrogen-bonded Turntrans-60.13.3-176.849.50000116.6
48G78.1Confident71.6Confident66 Ų6698.5 Ų98.568%0.6861%0.606SS**THydrogen-bonded Turntrans-116.319.6171.100000114.8G46 V50G46-G48 PolarHBondContact O-N 3.4Å; G48-V50 VanDerWaalsContact C-N 3.28Å; G48-V50 PolarHBondContact O-N 3.29Å
49G77.9Confident71.1Confident52 Ų5298.2 Ų98.254%0.53661%0.606SS.*THydrogen-bonded Turntrans72.518.5-179.600000114.3G46G46-G49 PolarHBondContact O-N 3.39Å
50V75.4Confident70.5Confident105 Ų10597.4 Ų97.464%0.63661%0.607SS**EExtended strand (participates in β ladder)trans-100.2109177.6-177.60000108.5G46 G48 S52G46-V50 PolarHBondContact N-O 3.22Å; G48-V50 VanDerWaalsContact C-N 3.28Å; G48-V50 PolarHBondContact O-N 3.29Å; V50-S52 PolarHBondContact O-N 3.25Å
51S77.8Confident69.8Low74 Ų7497 Ų9752%0.51761%0.61SS.*EExtended strand (participates in β ladder)trans-67.7114.4170.8-74.10000110.7
52S74.4Confident69.3Low78 Ų7894 Ų9455%0.54560%0.598SS.*EExtended strand (participates in β ladder)trans-106.7131.4171.6-174.80000109.8F43 V44 V50 V54F43-S52 WeakPolarHBondContact CA-O 3.44Å; V44-S52 PolarHBondContact N-O 2.79Å; V44-S52 PolarHBondContact O-N 2.93Å; V50-S52 PolarHBondContact O-N 3.25Å; S52-V54 PolarHBondContact O-N 3.29Å
53A73.4Confident68.4Low42 Ų4291.6 Ų91.635%0.34759%0.594SS.*EExtended strand (participates in β ladder)trans-59.7136.2167.300000109.9V41 Q42 F43V41-A53 HydrophobicContact CG1-CB 3.61Å; Q42-A53 CarbonylContact O-C 3.58Å; Q42-A53 WeakPolarHBondContact O-CA 3.45Å; F43-A53 HydrophobicContact CD1-CB 4.11Å; F43-A53 HydrophobicContact CE1-CB 3.93Å
54V66.1Low67.1Low83 Ų8391.8 Ų91.850%0.50361%0.605SS.*SBendtrans-87.5128173.8-179.10000108.7Q42 V44 S52Q42-V54 PolarHBondContact O-N 2.93Å; V44-V54 HydrophobicContact CB-CG2 3.74Å; V44-V54 HydrophobicContact CG2-CG2 3.36Å; S52-V54 PolarHBondContact O-N 3.29Å
55G65Low65.8Low71 Ų7196.1 Ų96.173%0.73262%0.618SS**SBendtrans104.1169.4-179.700000113.8
56Q62.8Low64Low135 Ų13593.6 Ų93.663%0.63162%0.62SS**  trans-108.8126.6-179.7-177173.8-43.300109.5V58Q56-V58 PolarHBondContact O-N 3.29Å; Q56-V58 VanDerWaalsContact O-N 3.13Å
57F60Low62.4Low177 Ų17796.8 Ų96.878%0.77663%0.634SS**  trans-63.7114.1176.9179.4-99.7000111.1
58V57.5Low60.7Low109 Ų10997.5 Ų97.566%0.66163%0.626SS**  trans-95.7109.2172.3-176.10000108.2Q56Q56-V58 PolarHBondContact O-N 3.29Å; Q56-V58 VanDerWaalsContact O-N 3.13Å
59S55.3Low58.8Low56 Ų56103 Ų10339%0.39264%0.639SS.*  trans-78.3129179.1-165.50000110.9D61 G62S59-D61 PolarHBondContact O-N 3.39Å; S59-G62 PolarHBondContact O-N 2.97Å
60A56.1Low57.3Low110 Ų110104 Ų10491%0.90965%0.65SS**THydrogen-bonded Turntrans-59.1-28.6177.700000113.7
61D54.8Low55.6Low122 Ų122103.7 Ų103.765%0.65265%0.652SS**THydrogen-bonded Turntrans-92.10.4178.9-79.2-23.6000113.6S59 K115S59-D61 PolarHBondContact O-N 3.39Å; D61-K115 IonicContact OD2-NZ 2.71Å; D61-K115 PolarHBondContact OD2-NZ 3.09Å
62G57.9Low53.9Low32 Ų32102.5 Ų102.533%0.3365%0.652SS.*SBendtrans-103.5144.7-171.600000113.9S59 V64S59-G62 PolarHBondContact O-N 2.97Å; G62-V64 PolarHBondContact O-N 3.33Å
63P51.1Low52.6Low85 Ų85107.9 Ų107.955%0.55267%0.666SS**  trans-63.1127.4170.326.8-33000109.9K65P63-K65 PolarHBondContact O-N 3.13Å
64V47.6Very low51Low132 Ų132112.8 Ų112.880%0.868%0.681SS**  trans-64.791.3180-177.30000109.8G62G62-V64 PolarHBondContact O-N 3.33Å
65K50.7Low50.2Low172 Ų172114.8 Ų114.875%0.74869%0.694SS**  trans-85121.4169.3-73.4-172.9177.4-179.60109P63P63-K65 PolarHBondContact O-N 3.13Å
66A43.7Very low49.4Very low85 Ų85114.8 Ų114.870%0.70269%0.694SS**  trans-54143.1171.800000110.8L68A66-L68 PolarHBondContact O-N 3.2Å; A66-L68 VanDerWaalsContact O-N 3.14Å
67P45.8Very low48.7Very low101 Ų101114.7 Ų114.766%0.65670%0.702SS**  trans-68.7112.4-179.628.1-33.6000110L69P67-L69 PolarHBondContact O-N 2.91Å
68L43.5Very low48.2Very low160 Ų160109.6 Ų109.684%0.83870%0.7SS**  trans-83.6108.6168.4-151.480.5000108.4A66 G70A66-L68 PolarHBondContact O-N 3.2Å; A66-L68 VanDerWaalsContact O-N 3.14Å; L68-G70 PolarHBondContact O-N 3.45Å
69L38.8Very low48Very low181 Ų181111.1 Ų111.195%0.94870%0.697SS**THydrogen-bonded Turntrans-56121.1-177.9-17468.8000111P67P67-L69 PolarHBondContact O-N 2.91Å
70G45.7Very low48.7Very low75 Ų75113.4 Ų113.477%0.77370%0.702SS**THydrogen-bonded Turntrans111.81.7169.600000117.7L68 G72L68-G70 PolarHBondContact O-N 3.45Å; G70-G72 PolarHBondContact O-N 3.1Å
71S40.4Very low49.8Very low98 Ų98112.6 Ų112.669%0.68569%0.69SS**  trans-81.587.2177.7-155.30000112.5
72G42.3Very low51Low49 Ų49113 Ų11351%0.50568%0.682SS.*  trans-68132.5173.900000113.1G70 H74G70-G72 PolarHBondContact O-N 3.1Å; G72-H74 PolarHBondContact O-N 3.49Å
73F46Very low52.2Low191 Ų191113.9 Ų113.984%0.83869%0.686SS**  trans31.258.4153.6-143.6-94.6000118.1T75F73-T75 WeakPolarHBondContact CE1-OG1 3.5Å
74H40.2Very low53.9Low144 Ų144114.5 Ų114.567%0.66768%0.681SS**  trans-104.479.2169.3-71.8-34.6000111.9G72 G76G72-H74 PolarHBondContact O-N 3.49Å; H74-G76 PolarHBondContact O-N 3.05Å
75T50Low55.9Low126 Ų126110.6 Ų110.677%0.77366%0.658SS**THydrogen-bonded Turntrans-67.924.6-178.2-15.10000115.2F73F73-T75 WeakPolarHBondContact CE1-OG1 3.5Å
76G48.1Very low57.8Low71 Ų71103.7 Ų103.773%0.73263%0.629SS**THydrogen-bonded Turntrans-151.6-9.8-171.200000117.7H74H74-G76 PolarHBondContact O-N 3.05Å
77V48Very low60Low132 Ų132103.5 Ų103.580%0.861%0.613SS**SBendtrans-114.1100.1-173.9-171.30000110.7
78G48.5Very low62.2Low71 Ų71102.3 Ų102.373%0.73260%0.602SS**  trans109.329.7170.900000116.9E80G78-E80 PolarHBondContact O-N 3.04Å; G78-E80 VanDerWaalsContact O-N 3.09Å
79K54.2Low64.5Low141 Ų14194.9 Ų94.961%0.61356%0.563SS**  trans-60114.4153.8-82.8-169.4177.5-177.60107.8S81K79-S81 PolarHBondContact O-N 2.99Å
80E68.6Low67.1Low104 Ų10489.4 Ų89.449%0.48653%0.532SS..  trans-57134.3175.9-169.7174.2178.600109.7G78 R82 A83 Q84G78-E80 PolarHBondContact O-N 3.04Å; G78-E80 VanDerWaalsContact O-N 3.09Å; E80-R82 HydrophobicContact CG-CB 4.39Å; E80-R82 PolarHBondContact O-N 3.41Å; E80-A83 HydrophobicContact CB-CB 4.3Å; E80-A83 WeakPolarHBondContact O-CA 3.4Å; E80-A83 WeakPolarHBondContact O-CB 3.32Å; E80-A83 PolarHBondContact O-N 2.72Å; E80-Q84 PolarHBondContact O-N 3.35Å
81S79.6Confident69.4Low93 Ų9393.2 Ų93.265%0.6552%0.523SS*.Hα-helixtrans-53.2-34.9-175.1177.80000112.4K79 T85K79-S81 PolarHBondContact O-N 2.99Å; S81-T85 WeakPolarHBondContact O-CB 3.46Å; S81-T85 PolarHBondContact O-N 3.42Å; S81-T85 PolarHBondContact O-OG1 3.05Å
82R81Confident72Confident131 Ų13191.2 Ų91.249%0.49450%0.503SS..Hα-helixtrans-61.7-48.8171.9-172.6178.9-179.9-170.9-2.3112.6E80 Q84 T85 L86 V118E80-R82 HydrophobicContact CG-CB 4.39Å; E80-R82 PolarHBondContact O-N 3.41Å; R82-Q84 PolarHBondContact O-N 3.36Å; R82-T85 WeakPolarHBondContact O-CB 3.28Å; R82-T85 PolarHBondContact O-N 2.97Å; R82-L86 HydrophobicContact CG-CD1 4.44Å; R82-L86 WeakPolarHBondContact O-CG 3.39Å; R82-L86 PolarHBondContact O-N 3.21Å; R82-V118 HydrophobicContact CG-CG1 4.34Å
83A83.5Confident74.5Confident49 Ų4989 Ų8941%0.40548%0.479SS..Hα-helixtrans-64-38.4179.400000112.2E80 L86 Q87E80-A83 HydrophobicContact CB-CB 4.3Å; E80-A83 WeakPolarHBondContact O-CA 3.4Å; E80-A83 WeakPolarHBondContact O-CB 3.32Å; E80-A83 PolarHBondContact O-N 2.72Å; A83-L86 PolarHBondContact O-N 3.3Å; A83-Q87 WeakPolarHBondContact O-CB 3.48Å; A83-Q87 PolarHBondContact O-N 2.92Å
84Q86.6Confident76.8Confident99 Ų9983.9 Ų83.946%0.46346%0.458SS..Hα-helixtrans-66.1-40.2173.5-172.4172.98.300112E80 R82 Q87 N88E80-Q84 PolarHBondContact O-N 3.35Å; R82-Q84 PolarHBondContact O-N 3.36Å; Q84-Q87 PolarHBondContact O-N 3.23Å; Q84-N88 PolarHBondContact O-N 3.48Å
85T88.1Confident79.4Confident50 Ų5082.5 Ų82.531%0.30745%0.452SS..Hα-helixtrans-61.1-43.8175-57.50000111.5S81 R82 N88 G89S81-T85 WeakPolarHBondContact O-CB 3.46Å; S81-T85 PolarHBondContact O-N 3.42Å; S81-T85 PolarHBondContact O-OG1 3.05Å; R82-T85 WeakPolarHBondContact O-CB 3.28Å; R82-T85 PolarHBondContact O-N 2.97Å; T85-N88 PolarHBondContact O-N 2.83Å; T85-G89 PolarHBondContact O-N 3.48Å
86L90.9Very high81.4Confident27 Ų2777.2 Ų77.214%0.14142%0.419CS..Hα-helixtrans-65.4-40.9175.3-68.1174.8000112.3R82 A83 N88 G89 K90 F111 F114 K115 V118R82-L86 HydrophobicContact CG-CD1 4.44Å; R82-L86 WeakPolarHBondContact O-CG 3.39Å; R82-L86 PolarHBondContact O-N 3.21Å; A83-L86 PolarHBondContact O-N 3.3Å; L86-N88 PolarHBondContact O-N 2.79Å; L86-G89 PolarHBondContact O-N 2.94Å; L86-K90 PolarHBondContact O-N 2.92Å; L86-F111 HydrophobicContact CB-CE2 4.41Å; L86-F111 HydrophobicContact CB-CZ 4.42Å; L86-F111 WeakPolarHBondContact O-CE2 3.41Å; L86-F114 HydrophobicContact CD2-CD1 4.12Å; L86-F114 HydrophobicContact CD2-CE1 4.15Å; L86-K115 HydrophobicContact CD2-CG 4.08Å; L86-V118 HydrophobicContact CD2-CB 4.16Å; L86-V118 HydrophobicContact CD2-CG1 4.23Å; L86-V118 HydrophobicContact CD2-CG2 4.06Å
87Q90.3Very high83.5Confident80 Ų8073.9 Ų73.937%0.37438%0.384SS..Hα-helixtrans-64.5-39.4176.9-174.216736.200112.2A83 Q84 R91A83-Q87 WeakPolarHBondContact O-CB 3.48Å; A83-Q87 PolarHBondContact O-N 2.92Å; Q84-Q87 PolarHBondContact O-N 3.23Å; Q87-R91 WeakPolarHBondContact O-CG 3.25Å; Q87-R91 PolarHBondContact O-N 3.01Å
88N91.3Very high85.5Confident77 Ų7771.5 Ų71.541%0.41237%0.374SS..Hα-helixtrans-66.6-42.7173.9-71.1-9.9000111.5Q84 T85 L86 R91 Q92Q84-N88 PolarHBondContact O-N 3.48Å; T85-N88 PolarHBondContact O-N 2.83Å; L86-N88 PolarHBondContact O-N 2.79Å; N88-R91 PolarHBondContact O-N 3.33Å; N88-Q92 PolarHBondContact O-N 3.27Å
89G92.7Very high87.6Confident3 Ų372.8 Ų72.83%0.03136%0.36CS..Hα-helixtrans-59.1-46174.400000112.9T85 L86 R91 Q92 I93T85-G89 PolarHBondContact O-N 3.48Å; L86-G89 PolarHBondContact O-N 2.94Å; G89-R91 VanDerWaalsContact C-N 3.33Å; G89-R91 PolarHBondContact O-N 2.86Å; G89-Q92 PolarHBondContact O-N 3.44Å; G89-I93 WeakPolarHBondContact O-CB 3.48Å; G89-I93 VanDerWaalsContact O-CG1 3.29Å; G89-I93 WeakPolarHBondContact O-CG1 3.33Å; G89-I93 PolarHBondContact O-N 2.99Å
90K93.8Very high89.3Confident66 Ų6666.8 Ų66.829%0.28734%0.335SS..Hα-helixtrans-59-42.7176.9-171161.6-172.5156.10111.9L86 I93 Q94 D108 F111L86-K90 PolarHBondContact O-N 2.92Å; K90-I93 PolarHBondContact O-N 3.3Å; K90-Q94 WeakPolarHBondContact O-CB 3.45Å; K90-Q94 WeakPolarHBondContact O-CG 3.29Å; K90-Q94 PolarHBondContact O-N 3.47Å; K90-D108 IonicContact NZ-OD1 3.94Å; K90-D108 PolarHBondContact NZ-OD1 3.44Å; K90-F111 HydrophobicContact CB-CD2 3.87Å; K90-F111 HydrophobicContact CB-CE2 3.69Å; K90-F111 HydrophobicContact CB-CG 4.49Å; K90-F111 HydrophobicContact CB-CZ 4.14Å; K90-F111 HydrophobicContact CD-CD1 4.12Å; K90-F111 HydrophobicContact CD-CE1 4.05Å; K90-F111 HydrophobicContact CD-CG 4.37Å; K90-F111 HydrophobicContact CD-CZ 4.26Å; K90-F111 HydrophobicContact CG-CD2 4.28Å; K90-F111 HydrophobicContact CG-CE2 4.4Å; K90-F111 HydrophobicContact CG-CG 4.42Å
91R94.3Very high90.3Very high156 Ų15670.4 Ų70.459%0.58935%0.352SS*.Hα-helixtrans-61.8-45176.2-72.5174.7174-174.4-4.1112.3Q87 N88 G89 Q94 Q95Q87-R91 WeakPolarHBondContact O-CG 3.25Å; Q87-R91 PolarHBondContact O-N 3.01Å; N88-R91 PolarHBondContact O-N 3.33Å; G89-R91 VanDerWaalsContact C-N 3.33Å; G89-R91 PolarHBondContact O-N 2.86Å; R91-Q94 PolarHBondContact O-N 2.85Å; R91-Q95 WeakPolarHBondContact O-CB 3.29Å; R91-Q95 PolarHBondContact O-N 3.23Å
92Q93.4Very high90.8Very high56 Ų5666.8 Ų66.826%0.26233%0.325SS..Hα-helixtrans-68-38.3178-76.2-173.3-25.800112.5N88 G89 Q95 L96 I132N88-Q92 PolarHBondContact O-N 3.27Å; G89-Q92 PolarHBondContact O-N 3.44Å; Q92-Q95 PolarHBondContact O-N 2.53Å; Q92-L96 PolarHBondContact O-N 3.44Å; Q92-I132 HydrophobicContact CB-CD1 3.81Å
93I95.2Very high91.3Very high2 Ų265.8 Ų65.81%0.0133%0.329CS..Hα-helixtrans-60.7-46172.6-72.6164.7000110.7G89 K90 G97 L107 A110 F111 F114 I132 L136G89-I93 WeakPolarHBondContact O-CB 3.48Å; G89-I93 VanDerWaalsContact O-CG1 3.29Å; G89-I93 WeakPolarHBondContact O-CG1 3.33Å; G89-I93 PolarHBondContact O-N 2.99Å; K90-I93 PolarHBondContact O-N 3.3Å; I93-G97 WeakPolarHBondContact O-CA 3.41Å; I93-G97 PolarHBondContact O-N 3.01Å; I93-L107 HydrophobicContact CG2-CB 4.38Å; I93-L107 HydrophobicContact CG2-CD2 4.37Å; I93-A110 HydrophobicContact CG2-CB 4.35Å; I93-F111 HydrophobicContact CD1-CB 4.19Å; I93-F111 HydrophobicContact CD1-CD2 4.09Å; I93-F114 HydrophobicContact CD1-CB 3.81Å; I93-F114 HydrophobicContact CD1-CD1 4.4Å; I93-F114 HydrophobicContact CD1-CG 4.07Å; I93-I132 HydrophobicContact CG1-CG1 4.38Å; I93-I132 HydrophobicContact CG1-CG2 3.58Å; I93-L136 HydrophobicContact CG2-CD2 4.23Å
94Q94.6Very high91.6Very high83 Ų8368.9 Ų68.939%0.38834%0.336SS..Hα-helixtrans-65.7-38.9177.2-74177.3-35.800112.5K90 R91 S98K90-Q94 WeakPolarHBondContact O-CB 3.45Å; K90-Q94 WeakPolarHBondContact O-CG 3.29Å; K90-Q94 PolarHBondContact O-N 3.47Å; R91-Q94 PolarHBondContact O-N 2.85Å; Q94-S98 WeakPolarHBondContact O-CB 3.48Å; Q94-S98 PolarHBondContact O-N 3.18Å; Q94-S98 PolarHBondContact O-OG 3.23Å
95Q93.8Very high91.9Very high116 Ų11669.2 Ų69.254%0.54234%0.337SS..Hα-helixtrans-65.3-48.3177.4-178.2-179.2-7.300112.5R91 Q92 G97 S98 Q99R91-Q95 WeakPolarHBondContact O-CB 3.29Å; R91-Q95 PolarHBondContact O-N 3.23Å; Q92-Q95 PolarHBondContact O-N 2.53Å; Q95-G97 VanDerWaalsContact C-N 3.34Å; Q95-S98 PolarHBondContact O-OG 2.91Å; Q95-Q99 WeakPolarHBondContact O-CG 3.49Å; Q95-Q99 PolarHBondContact O-N 3.32Å
96L92.9Very high92.1Very high15 Ų1567.2 Ų67.28%0.07933%0.325CS..Hα-helixtrans-70.2-35.4176.8-69.4169.3000111.3Q92 Q99 L100 I132 L136 L156Q92-L96 PolarHBondContact O-N 3.44Å; L96-Q99 PolarHBondContact O-N 3.44Å; L96-L100 WeakPolarHBondContact O-CG 3.27Å; L96-L100 PolarHBondContact O-N 2.93Å; L96-I132 HydrophobicContact CD1-CG2 3.9Å; L96-L136 HydrophobicContact CB-CD1 3.71Å; L96-L136 HydrophobicContact CD1-CD1 4.22Å; L96-L156 HydrophobicContact CD1-CD2 4.29Å; L96-L156 HydrophobicContact CD2-CD2 4.08Å
97G92.1Very high92.2Very high0 Ų066.2 Ų66.20%032%0.32CS..Hα-helixtrans-61.3-43175.800000113.8I93 Q95 L100 Q101 L102I93-G97 WeakPolarHBondContact O-CA 3.41Å; I93-G97 PolarHBondContact O-N 3.01Å; Q95-G97 VanDerWaalsContact C-N 3.34Å; G97-L100 CarbonylContact O-C 3.55Å; G97-L100 PolarHBondContact O-N 2.86Å; G97-Q101 PolarHBondContact O-N 3.43Å; G97-Q101 VanDerWaalsContact O-N 3.07Å; G97-L102 PolarHBondContact O-N 3.48Å
98S91.1Very high92.4Very high83 Ų8365.6 Ų65.658%0.5832%0.319SS*.Hα-helixtrans-69.2-35.2177.1680000112.5Q94 Q95 L100 Q101Q94-S98 WeakPolarHBondContact O-CB 3.48Å; Q94-S98 PolarHBondContact O-N 3.18Å; Q94-S98 PolarHBondContact O-OG 3.23Å; Q95-S98 PolarHBondContact O-OG 2.91Å; S98-L100 VanDerWaalsContact C-N 3.3Å; S98-L100 PolarHBondContact O-N 3.33Å; S98-Q101 PolarHBondContact O-N 2.98Å
99Q92.3Very high92.4Very high97 Ų9763.4 Ų63.445%0.45331%0.309SS..Hα-helixtrans-66.3-31.8173.8-70.2174.8-3.100112.7Q95 L96 L155Q95-Q99 WeakPolarHBondContact O-CG 3.49Å; Q95-Q99 PolarHBondContact O-N 3.32Å; L96-Q99 PolarHBondContact O-N 3.44Å; Q99-L155 HydrophobicContact CB-CD1 4.01Å; Q99-L155 HydrophobicContact CB-CD2 4.23Å
100L89.3Confident92.4Very high16 Ų1663.3 Ų63.38%0.08431%0.307CS..THydrogen-bonded Turntrans-88.4-0.9175.1-69.5168.1000113.9L96 G97 S98 L102 H147 D151 L152 L155L96-L100 WeakPolarHBondContact O-CG 3.27Å; L96-L100 PolarHBondContact O-N 2.93Å; G97-L100 CarbonylContact O-C 3.55Å; G97-L100 PolarHBondContact O-N 2.86Å; S98-L100 VanDerWaalsContact C-N 3.3Å; S98-L100 PolarHBondContact O-N 3.33Å; L100-L102 HydrophobicContact CB-CD1 3.98Å; L100-L102 HydrophobicContact CB-CG 3.95Å; L100-L102 HydrophobicContact CD1-CD1 4.04Å; L100-L102 PolarHBondContact O-N 2.92Å; L100-H147 PolarHBondContact O-NE2 3.21Å; L100-D151 HydrophobicContact CD2-CB 4.1Å; L100-L152 HydrophobicContact CD1-CD2 3.59Å; L100-L152 HydrophobicContact CD1-CG 4.05Å; L100-L155 HydrophobicContact CD1-CD1 4.29Å; L100-L155 HydrophobicContact CD2-CD1 3.6Å; L100-L155 HydrophobicContact CG-CD1 3.62Å
101Q89.8Confident92.5Very high180 Ų18061.4 Ų61.484%0.84130%0.299SS*.THydrogen-bonded Turntrans53.635.4-175.9-58.4179-30.500113.8G97 S98G97-Q101 PolarHBondContact O-N 3.43Å; G97-Q101 VanDerWaalsContact O-N 3.07Å; S98-Q101 PolarHBondContact O-N 2.98Å
102L89.3Confident92.4Very high16 Ų1658.2 Ų58.28%0.08429%0.294CS..  trans-75.8144.2178.2-75.5167.8000112.3G97 L100 L107 L136 H147G97-L102 PolarHBondContact O-N 3.48Å; L100-L102 HydrophobicContact CB-CD1 3.98Å; L100-L102 HydrophobicContact CB-CG 3.95Å; L100-L102 HydrophobicContact CD1-CD1 4.04Å; L100-L102 PolarHBondContact O-N 2.92Å; L102-L107 HydrophobicContact CB-CD2 3.9Å; L102-L107 HydrophobicContact CB-CG 4.38Å; L102-L107 HydrophobicContact CD1-CD2 4.18Å; L102-L136 HydrophobicContact CD1-CD2 4.07Å; L102-H147 VanDerWaalsContact CD2-CE1 3.45Å; L102-H147 WeakPolarHBondContact CD2-CE1 3.23Å; L102-H147 WeakPolarHBondContact CD2-ND1 3.47Å
103N91.7Very high92.3Very high110 Ų11057.6 Ų57.659%0.58829%0.29SS*.  trans-64.7146.2175.2-170.89.9000111.4H105 C106 L107N103-H105 VanDerWaalsContact C-N 3.26Å; N103-H105 PolarHBondContact O-N 3.43Å; N103-C106 WeakPolarHBondContact O-CB 3.42Å; N103-C106 PolarHBondContact O-N 3.2Å; N103-L107 PolarHBondContact O-N 2.91Å
104Q91.1Very high92.2Very high114 Ų11457.5 Ų57.553%0.53329%0.29SS..Hα-helixtrans-57.7-36.8-178.2-65.3-64.7-18.400112.5C106 L107 D108Q104-C106 VanDerWaalsContact C-N 3.31Å; Q104-C106 PolarHBondContact O-N 3.04Å; Q104-L107 WeakPolarHBondContact O-CB 3.33Å; Q104-L107 PolarHBondContact O-N 2.7Å; Q104-D108 PolarHBondContact O-N 3.07Å
105H92.3Very high92.1Very high106 Ų10656.3 Ų56.349%0.49128%0.283SS..Hα-helixtrans-51.7-48.9172.8-179.6-107.2000112.1N103 L107 D108 T109 E143N103-H105 VanDerWaalsContact C-N 3.26Å; N103-H105 PolarHBondContact O-N 3.43Å; H105-L107 VanDerWaalsContact C-N 3.28Å; H105-L107 PolarHBondContact O-N 3.14Å; H105-D108 PolarHBondContact O-N 3.13Å; H105-T109 WeakPolarHBondContact O-CB 3.46Å; H105-T109 PolarHBondContact O-N 3.41Å; H105-T109 PolarHBondContact O-OG1 2.91Å; H105-E143 IonicContact CE1-OE2 3.62Å; H105-E143 PolarHBondContact CE1-OE2 2.9Å; H105-E143 IonicContact ND1-OE2 3.53Å; H105-E143 PolarHBondContact ND1-OE2 3.15Å; H105-E143 VanDerWaalsContact ND1-OE2 3.1Å
106C91.8Very high91.9Very high9 Ų954 Ų546%0.06127%0.274CS..Hα-helixtrans-65.8-31.9178.9-52.10000111.8N103 Q104 A110 V139N103-C106 WeakPolarHBondContact O-CB 3.42Å; N103-C106 PolarHBondContact O-N 3.2Å; Q104-C106 VanDerWaalsContact C-N 3.31Å; Q104-C106 PolarHBondContact O-N 3.04Å; C106-A110 VanDerWaalsContact O-CB 3.25Å; C106-A110 WeakPolarHBondContact O-CB 3.44Å; C106-A110 PolarHBondContact O-N 3.17Å; C106-V139 HydrophobicContact CB-CG1 3.85Å
107L93.7Very high91.8Very high6 Ų653.2 Ų53.23%0.03127%0.27CS..Hα-helixtrans-73.6-40.2178.4-58.7-176.8000112.8I93 L102 N103 Q104 H105 A110 F111 L136I93-L107 HydrophobicContact CG2-CB 4.38Å; I93-L107 HydrophobicContact CG2-CD2 4.37Å; L102-L107 HydrophobicContact CB-CD2 3.9Å; L102-L107 HydrophobicContact CB-CG 4.38Å; L102-L107 HydrophobicContact CD1-CD2 4.18Å; N103-L107 PolarHBondContact O-N 2.91Å; Q104-L107 WeakPolarHBondContact O-CB 3.33Å; Q104-L107 PolarHBondContact O-N 2.7Å; H105-L107 VanDerWaalsContact C-N 3.28Å; H105-L107 PolarHBondContact O-N 3.14Å; L107-A110 PolarHBondContact O-N 3.31Å; L107-F111 WeakPolarHBondContact O-CB 3.48Å; L107-F111 PolarHBondContact O-N 3.13Å; L107-L136 HydrophobicContact CD2-CD2 3.78Å
108D93.2Very high91.8Very high67 Ų6753.8 Ų53.836%0.35827%0.274SS..Hα-helixtrans-70.7-37.7174.8-77.5-44000111.3K90 Q104 H105 A110 F111 N112K90-D108 IonicContact NZ-OD1 3.94Å; K90-D108 PolarHBondContact NZ-OD1 3.44Å; Q104-D108 PolarHBondContact O-N 3.07Å; H105-D108 PolarHBondContact O-N 3.13Å; D108-A110 PolarHBondContact O-N 3.2Å; D108-F111 WeakPolarHBondContact O-CB 3.3Å; D108-F111 PolarHBondContact O-N 3.09Å; D108-N112 PolarHBondContact O-N 3.05Å; D108-N112 PolarHBondContact O-ND2 3.16Å
109T91.7Very high91.6Very high31 Ų3152.4 Ų52.419%0.1926%0.264CS..Hα-helixtrans-62.3-40.4170-63.90000111.8H105 F111 N112 F113 V139H105-T109 WeakPolarHBondContact O-CB 3.46Å; H105-T109 PolarHBondContact O-N 3.41Å; H105-T109 PolarHBondContact O-OG1 2.91Å; T109-F111 VanDerWaalsContact C-N 3.31Å; T109-F111 PolarHBondContact O-N 2.72Å; T109-N112 WeakPolarHBondContact O-CB 3.42Å; T109-N112 PolarHBondContact O-N 2.95Å; T109-F113 HydrophobicContact CG2-CD2 4.1Å; T109-F113 HydrophobicContact CG2-CE2 3.71Å; T109-F113 VanDerWaalsContact O-CD2 3.29Å; T109-F113 WeakPolarHBondContact O-CD2 3.48Å; T109-F113 PolarHBondContact O-N 2.96Å; T109-V139 HydrophobicContact CG2-CG1 4.17Å; T109-V139 HydrophobicContact CG2-CG2 3.94Å
110A93.9Very high91.4Very high0 Ų052.2 Ų52.20%026%0.261CS..Hα-helixtrans-65.8-34.7174.400000112.1I93 C106 L107 D108 F113 F114 L136 V139I93-A110 HydrophobicContact CG2-CB 4.35Å; C106-A110 VanDerWaalsContact O-CB 3.25Å; C106-A110 WeakPolarHBondContact O-CB 3.44Å; C106-A110 PolarHBondContact O-N 3.17Å; L107-A110 PolarHBondContact O-N 3.31Å; D108-A110 PolarHBondContact O-N 3.2Å; A110-F113 PolarHBondContact O-N 3.16Å; A110-F114 WeakPolarHBondContact O-CB 3.39Å; A110-F114 PolarHBondContact O-N 2.88Å; A110-L136 HydrophobicContact CB-CD2 3.83Å; A110-L136 HydrophobicContact CB-CG 4.38Å; A110-V139 HydrophobicContact CB-CB 4.44Å; A110-V139 HydrophobicContact CB-CG2 3.78Å
111F94.7Very high91.3Very high26 Ų2656.3 Ų56.311%0.11428%0.28CS..Hα-helixtrans-68-36.3172.7-179.1-120.1000112.4L86 K90 I93 L107 D108 T109 F114 K115L86-F111 HydrophobicContact CB-CE2 4.41Å; L86-F111 HydrophobicContact CB-CZ 4.42Å; L86-F111 WeakPolarHBondContact O-CE2 3.41Å; K90-F111 HydrophobicContact CB-CD2 3.87Å; K90-F111 HydrophobicContact CB-CE2 3.69Å; K90-F111 HydrophobicContact CB-CG 4.49Å; K90-F111 HydrophobicContact CB-CZ 4.14Å; K90-F111 HydrophobicContact CD-CD1 4.12Å; K90-F111 HydrophobicContact CD-CE1 4.05Å; K90-F111 HydrophobicContact CD-CG 4.37Å; K90-F111 HydrophobicContact CD-CZ 4.26Å; K90-F111 HydrophobicContact CG-CD2 4.28Å; K90-F111 HydrophobicContact CG-CE2 4.4Å; K90-F111 HydrophobicContact CG-CG 4.42Å; I93-F111 HydrophobicContact CD1-CB 4.19Å; I93-F111 HydrophobicContact CD1-CD2 4.09Å; L107-F111 WeakPolarHBondContact O-CB 3.48Å; L107-F111 PolarHBondContact O-N 3.13Å; D108-F111 WeakPolarHBondContact O-CB 3.3Å; D108-F111 PolarHBondContact O-N 3.09Å; T109-F111 VanDerWaalsContact C-N 3.31Å; T109-F111 PolarHBondContact O-N 2.72Å; F111-F114 HydrophobicContact CD2-CD1 4.45Å; F111-F114 PolarHBondContact O-N 2.94Å; F111-K115 HydrophobicContact CE1-CD 4.44Å; F111-K115 VanDerWaalsContact CE1-CE 3.48Å; F111-K115 HydrophobicContact CE1-CG 4.38Å; F111-K115 HydrophobicContact CE2-CG 4.5Å; F111-K115 HydrophobicContact CZ-CG 4.26Å; F111-K115 PolarHBondContact O-N 3.2Å
112N92.5Very high91Very high90 Ų9048.8 Ų48.848%0.48125%0.245SC..Hα-helixtrans-64.7-43.5173.2-70-28.4000111.8D108 T109 F114 K115 L116D108-N112 PolarHBondContact O-N 3.05Å; D108-N112 PolarHBondContact O-ND2 3.16Å; T109-N112 WeakPolarHBondContact O-CB 3.42Å; T109-N112 PolarHBondContact O-N 2.95Å; N112-F114 VanDerWaalsContact C-N 3.33Å; N112-F114 PolarHBondContact O-N 3.42Å; N112-K115 WeakPolarHBondContact O-CB 3.14Å; N112-K115 PolarHBondContact O-N 2.8Å; N112-L116 PolarHBondContact O-N 2.75Å; N112-L116 VanDerWaalsContact O-N 3.12Å
113F91.8Very high90.8Very high42 Ų4249.3 Ų49.318%0.18425%0.249CC..Hα-helixtrans-61.3-40.9170.2-72.7-58.4000112.1T109 A110 K115 L116 V117 V139 I176T109-F113 HydrophobicContact CG2-CD2 4.1Å; T109-F113 HydrophobicContact CG2-CE2 3.71Å; T109-F113 VanDerWaalsContact O-CD2 3.29Å; T109-F113 WeakPolarHBondContact O-CD2 3.48Å; T109-F113 PolarHBondContact O-N 2.96Å; A110-F113 PolarHBondContact O-N 3.16Å; F113-K115 PolarHBondContact O-N 2.62Å; F113-L116 WeakPolarHBondContact O-CB 3.34Å; F113-L116 PolarHBondContact O-N 2.77Å; F113-L116 VanDerWaalsContact O-N 3.17Å; F113-V117 VanDerWaalsContact O-CG2 3.28Å; F113-V117 WeakPolarHBondContact O-CG2 3.31Å; F113-V117 PolarHBondContact O-N 3.45Å; F113-V139 HydrophobicContact CD2-CG2 3.5Å; F113-V139 VanDerWaalsContact CD2-CG2 3.5Å; F113-V139 HydrophobicContact CE2-CG2 3.76Å; F113-I176 HydrophobicContact CD1-CD1 3.73Å; F113-I176 HydrophobicContact CE1-CD1 3.31Å; F113-I176 HydrophobicContact CE1-CG1 4.09Å; F113-I176 HydrophobicContact CZ-CD1 4.02Å
114F93.5Very high90.5Very high1 Ų152.5 Ų52.50%0.00425%0.253CS..Hα-helixtrans-63-39.2175.6-175.3-102.2000112.9L86 I93 A110 F111 N112 L116 V117 V118 T123 V131 I132L86-F114 HydrophobicContact CD2-CD1 4.12Å; L86-F114 HydrophobicContact CD2-CE1 4.15Å; I93-F114 HydrophobicContact CD1-CB 3.81Å; I93-F114 HydrophobicContact CD1-CD1 4.4Å; I93-F114 HydrophobicContact CD1-CG 4.07Å; A110-F114 WeakPolarHBondContact O-CB 3.39Å; A110-F114 PolarHBondContact O-N 2.88Å; F111-F114 HydrophobicContact CD2-CD1 4.45Å; F111-F114 PolarHBondContact O-N 2.94Å; N112-F114 VanDerWaalsContact C-N 3.33Å; N112-F114 PolarHBondContact O-N 3.42Å; F114-L116 VanDerWaalsContact C-N 3.31Å; F114-L116 PolarHBondContact O-N 3.13Å; F114-V117 PolarHBondContact O-N 3.49Å; F114-V118 HydrophobicContact CD1-CG2 4.21Å; F114-V118 HydrophobicContact CE1-CG2 3.78Å; F114-V118 HydrophobicContact CE2-CG2 4.3Å; F114-V118 HydrophobicContact CZ-CG2 3.84Å; F114-V118 WeakPolarHBondContact O-CG2 3.09Å; F114-V118 PolarHBondContact O-N 3.47Å; F114-T123 HydrophobicContact CE2-CG2 4.34Å; F114-V131 HydrophobicContact CD2-CG1 4.38Å; F114-V131 HydrophobicContact CE2-CG1 4.27Å; F114-I132 HydrophobicContact CD2-CG1 3.76Å; F114-I132 HydrophobicContact CE2-CD1 4.08Å; F114-I132 HydrophobicContact CE2-CG1 3.54Å; F114-I132 HydrophobicContact CZ-CD1 4.31Å; F114-I132 HydrophobicContact CZ-CG1 4.24Å
115K92Very high90.2Very high58 Ų5851.5 Ų51.525%0.25227%0.274SS..Hα-helixtrans-55.7-46.8171.1-74.8-173.6-179.3-169.90111D61 L86 F111 N112 F113 V118 S119D61-K115 IonicContact OD2-NZ 2.71Å; D61-K115 PolarHBondContact OD2-NZ 3.09Å; L86-K115 HydrophobicContact CD2-CG 4.08Å; F111-K115 HydrophobicContact CE1-CD 4.44Å; F111-K115 VanDerWaalsContact CE1-CE 3.48Å; F111-K115 HydrophobicContact CE1-CG 4.38Å; F111-K115 HydrophobicContact CE2-CG 4.5Å; F111-K115 HydrophobicContact CZ-CG 4.26Å; F111-K115 PolarHBondContact O-N 3.2Å; N112-K115 WeakPolarHBondContact O-CB 3.14Å; N112-K115 PolarHBondContact O-N 2.8Å; F113-K115 PolarHBondContact O-N 2.62Å; K115-V118 PolarHBondContact O-N 2.74Å; K115-S119 PolarHBondContact O-N 2.93Å; K115-S119 PolarHBondContact O-OG 3.43Å
116L89.7Confident89.9Confident66 Ų6650.6 Ų50.635%0.34627%0.266SS..Hα-helixtrans-65.5-41-179.3-175.759.2000112.5N112 F113 F114 V118 S119 K120 L174N112-L116 PolarHBondContact O-N 2.75Å; N112-L116 VanDerWaalsContact O-N 3.12Å; F113-L116 WeakPolarHBondContact O-CB 3.34Å; F113-L116 PolarHBondContact O-N 2.77Å; F113-L116 VanDerWaalsContact O-N 3.17Å; F114-L116 VanDerWaalsContact C-N 3.31Å; F114-L116 PolarHBondContact O-N 3.13Å; L116-V118 VanDerWaalsContact C-N 3.34Å; L116-V118 PolarHBondContact O-N 3.37Å; L116-S119 VanDerWaalsContact CA-OG 3.3Å; L116-S119 WeakPolarHBondContact CA-OG 3.44Å; L116-S119 PolarHBondContact O-N 3.43Å; L116-S119 PolarHBondContact O-OG 3Å; L116-K120 PolarHBondContact O-N 3.43Å; L116-L174 HydrophobicContact CB-CD2 4.31Å; L116-L174 HydrophobicContact CD2-CD2 3.74Å; L116-L174 HydrophobicContact CG-CD2 3.71Å
117V91.4Very high89.9Confident0 Ų057.5 Ų57.50%029%0.29CS..Hα-helixtrans-62.6-39174.11690000111.8F113 F114 H121 L122 T123 V131 L170 L174F113-V117 VanDerWaalsContact O-CG2 3.28Å; F113-V117 WeakPolarHBondContact O-CG2 3.31Å; F113-V117 PolarHBondContact O-N 3.45Å; F114-V117 PolarHBondContact O-N 3.49Å; V117-H121 PolarHBondContact O-N 2.67Å; V117-L122 HydrophobicContact CG1-CB 3.87Å; V117-L122 PolarHBondContact O-N 3.33Å; V117-L122 VanDerWaalsContact O-N 3.1Å; V117-T123 HydrophobicContact CG1-CG2 4.1Å; V117-V131 HydrophobicContact CG1-CG1 3.52Å; V117-L170 HydrophobicContact CG1-CD2 3.92Å; V117-L170 HydrophobicContact CG2-CD2 4.02Å; V117-L174 HydrophobicContact CG2-CD1 3.76Å; V117-L174 HydrophobicContact CG2-CD2 3.81Å; V117-L174 HydrophobicContact CG2-CG 4.21Å
118V90.7Very high89.7Confident12 Ų1260 Ų607%0.07331%0.306CS..Hα-helixtrans-68.3-40.9174.3169.80000111.7R82 L86 F114 K115 L116 H121 T123R82-V118 HydrophobicContact CG-CG1 4.34Å; L86-V118 HydrophobicContact CD2-CB 4.16Å; L86-V118 HydrophobicContact CD2-CG1 4.23Å; L86-V118 HydrophobicContact CD2-CG2 4.06Å; F114-V118 HydrophobicContact CD1-CG2 4.21Å; F114-V118 HydrophobicContact CE1-CG2 3.78Å; F114-V118 HydrophobicContact CE2-CG2 4.3Å; F114-V118 HydrophobicContact CZ-CG2 3.84Å; F114-V118 WeakPolarHBondContact O-CG2 3.09Å; F114-V118 PolarHBondContact O-N 3.47Å; K115-V118 PolarHBondContact O-N 2.74Å; L116-V118 VanDerWaalsContact C-N 3.34Å; L116-V118 PolarHBondContact O-N 3.37Å; V118-H121 PolarHBondContact O-N 3.15Å; V118-H121 VanDerWaalsContact O-N 3.14Å; V118-H121 PolarHBondContact O-ND1 2.92Å; V118-T123 HydrophobicContact CG2-CG2 3.76Å
119S88.4Confident89.7Confident53 Ų5360.8 Ų60.837%0.37131%0.308SS..Hα-helixtrans-66.4-35.4175.4480000113.2K115 L116 H121K115-S119 PolarHBondContact O-N 2.93Å; K115-S119 PolarHBondContact O-OG 3.43Å; L116-S119 VanDerWaalsContact CA-OG 3.3Å; L116-S119 WeakPolarHBondContact CA-OG 3.44Å; L116-S119 PolarHBondContact O-N 3.43Å; L116-S119 PolarHBondContact O-OG 3Å; S119-H121 PolarHBondContact O-N 3.03Å
120K86.8Confident89.7Confident93 Ų9359.9 Ų59.940%0.40430%0.301SS..THydrogen-bonded Turntrans-785.5172.5-72.1-173.5167.5-176.40113.6L116 L122 E173 L174L116-K120 PolarHBondContact O-N 3.43Å; K120-L122 HydrophobicContact CB-CD1 3.89Å; K120-L122 HydrophobicContact CB-CG 3.91Å; K120-L122 HydrophobicContact CD-CD1 4.43Å; K120-L122 PolarHBondContact O-N 3.33Å; K120-E173 PolarHBondContact NZ-O 2.93Å; K120-L174 HydrophobicContact CD-CD2 4.37Å
121H86.5Confident89.7Confident103 Ų10360 Ų6048%0.47730%0.302SS..THydrogen-bonded Turntrans58.115.5180-59.4-28000116.2V117 V118 S119 T123 R124V117-H121 PolarHBondContact O-N 2.67Å; V118-H121 PolarHBondContact O-N 3.15Å; V118-H121 VanDerWaalsContact O-N 3.14Å; V118-H121 PolarHBondContact O-ND1 2.92Å; S119-H121 PolarHBondContact O-N 3.03Å; H121-T123 PolarHBondContact O-N 2.95Å; H121-R124 WeakPolarHBondContact O-CB 3.33Å; H121-R124 PolarHBondContact O-N 3.42Å
122L85.5Confident89.6Confident21 Ų2158.7 Ų58.711%0.1130%0.296CS..THydrogen-bonded Turntrans-68.2-7.2-178.1-63.6170.2000113.6V117 K120 L169 L170 E173V117-L122 HydrophobicContact CG1-CB 3.87Å; V117-L122 PolarHBondContact O-N 3.33Å; V117-L122 VanDerWaalsContact O-N 3.1Å; K120-L122 HydrophobicContact CB-CD1 3.89Å; K120-L122 HydrophobicContact CB-CG 3.91Å; K120-L122 HydrophobicContact CD-CD1 4.43Å; K120-L122 PolarHBondContact O-N 3.33Å; L122-L169 HydrophobicContact CD2-CD2 4.3Å; L122-L170 HydrophobicContact CB-CD2 3.91Å; L122-L170 HydrophobicContact CD1-CD2 3.85Å; L122-L170 HydrophobicContact CG-CD2 4.45Å; L122-E173 HydrophobicContact CD1-CB 3.63Å; L122-E173 HydrophobicContact CD1-CG 4.36Å; L122-E173 HydrophobicContact CD2-CB 3.98Å; L122-E173 HydrophobicContact CD2-CG 3.78Å; L122-E173 HydrophobicContact CG-CB 4.46Å
123T84.9Confident89.7Confident27 Ų2754.4 Ų54.417%0.16627%0.273CS..THydrogen-bonded Turntrans-77.9-16.3170.952.90000114F114 V117 V118 H121 V131F114-T123 HydrophobicContact CE2-CG2 4.34Å; V117-T123 HydrophobicContact CG1-CG2 4.1Å; V118-T123 HydrophobicContact CG2-CG2 3.76Å; H121-T123 PolarHBondContact O-N 2.95Å; T123-V131 HydrophobicContact CG2-CG1 4.27Å
124R84.3Confident89.8Confident178 Ų17852.4 Ų52.467%0.67226%0.264SS*.THydrogen-bonded Turntrans-70.5135.5-177.9-68-175.8177.3173.62.2111.3H121 R126H121-R124 WeakPolarHBondContact O-CB 3.33Å; H121-R124 PolarHBondContact O-N 3.42Å; R124-R126 VanDerWaalsContact C-N 3.25Å; R124-R126 PolarHBondContact O-N 3.37Å
125G84.4Confident89.7Confident93 Ų9352.4 Ų52.496%0.95926%0.264SS*.THydrogen-bonded Turntrans737.3178.500000115.6
126R87.3Confident89.7Confident86 Ų8649.7 Ų49.733%0.32525%0.253SS..SBendtrans-126.1154.6-177.8-57.3-178.7-165.6-152.13.3110.9R124 T128 V131R124-R126 VanDerWaalsContact C-N 3.25Å; R124-R126 PolarHBondContact O-N 3.37Å; R126-T128 PolarHBondContact O-N 3.08Å; R126-V131 HydrophobicContact CB-CG2 4.1Å
127R90.6Very high89.8Confident154 Ų15447.9 Ų47.958%0.58124%0.241SC*.  trans-69.1128.6170.9-55.5-169.5-158.5167.51.8108.9E129 H130 V131R127-E129 PolarHBondContact O-N 3.24Å; R127-H130 PolarHBondContact O-N 3.19Å; R127-V131 PolarHBondContact O-N 2.96Å
128T90.6Very high89.7Confident59 Ų5948 Ų4836%0.36224%0.242SC..Hα-helixtrans-61.2-34.6-178.850.10000112R126 H130 V131 I132R126-T128 PolarHBondContact O-N 3.08Å; T128-H130 PolarHBondContact O-N 3.13Å; T128-V131 WeakPolarHBondContact O-CB 3.34Å; T128-V131 PolarHBondContact O-N 3.02Å; T128-I132 WeakPolarHBondContact O-CB 3.3Å; T128-I132 VanDerWaalsContact O-CG1 3.31Å; T128-I132 WeakPolarHBondContact O-CG1 3.12Å; T128-I132 PolarHBondContact O-N 3.24Å
129E92.2Very high89.7Confident84 Ų8447.5 Ų47.539%0.39324%0.239SC..Hα-helixtrans-55.3-47.4175.3-67.4155.7-174.100112.5R127 V131 I132 A133 L156R127-E129 PolarHBondContact O-N 3.24Å; E129-V131 VanDerWaalsContact C-N 3.34Å; E129-V131 PolarHBondContact O-N 3.27Å; E129-I132 PolarHBondContact O-N 3.08Å; E129-A133 WeakPolarHBondContact O-CB 3.28Å; E129-A133 PolarHBondContact O-N 3.24Å; E129-L156 HydrophobicContact CB-CD2 4.23Å
130H93Very high89.7Confident12 Ų1245 Ų456%0.05622%0.221CC..Hα-helixtrans-66-39.4178.8-58.8-175.3000111.2R127 T128 A134 L163 T166R127-H130 PolarHBondContact O-N 3.19Å; T128-H130 PolarHBondContact O-N 3.13Å; H130-A134 VanDerWaalsContact O-CB 3.26Å; H130-A134 WeakPolarHBondContact O-CB 3.3Å; H130-A134 PolarHBondContact O-N 3.36Å; H130-L163 HydrophobicContact CB-CD1 4.34Å; H130-L163 WeakPolarHBondContact O-CD1 3.44Å; H130-T166 HydrophobicContact CB-CG2 4.3Å
131V92.9Very high89.6Confident1 Ų142.3 Ų42.31%0.00621%0.209CC..Hα-helixtrans-64.5-44.1177.7174.90000110.4F114 V117 T123 R126 R127 T128 E129 A134 C135 L170F114-V131 HydrophobicContact CD2-CG1 4.38Å; F114-V131 HydrophobicContact CE2-CG1 4.27Å; V117-V131 HydrophobicContact CG1-CG1 3.52Å; T123-V131 HydrophobicContact CG2-CG1 4.27Å; R126-V131 HydrophobicContact CB-CG2 4.1Å; R127-V131 PolarHBondContact O-N 2.96Å; T128-V131 WeakPolarHBondContact O-CB 3.34Å; T128-V131 PolarHBondContact O-N 3.02Å; E129-V131 VanDerWaalsContact C-N 3.34Å; E129-V131 PolarHBondContact O-N 3.27Å; V131-A134 PolarHBondContact O-N 2.67Å; V131-C135 PolarHBondContact O-N 3.49Å; V131-C135 PolarHBondContact O-SG 2.96Å; V131-L170 HydrophobicContact CG1-CD1 4.1Å
132I93.4Very high89.5Confident0 Ų040.4 Ų40.40%020%0.204CC..Hα-helixtrans-64.8-46.4178.5-74.8163.8000111.4Q92 I93 L96 F114 T128 E129 A134 C135 L136Q92-I132 HydrophobicContact CB-CD1 3.81Å; I93-I132 HydrophobicContact CG1-CG1 4.38Å; I93-I132 HydrophobicContact CG1-CG2 3.58Å; L96-I132 HydrophobicContact CD1-CG2 3.9Å; F114-I132 HydrophobicContact CD2-CG1 3.76Å; F114-I132 HydrophobicContact CE2-CD1 4.08Å; F114-I132 HydrophobicContact CE2-CG1 3.54Å; F114-I132 HydrophobicContact CZ-CD1 4.31Å; F114-I132 HydrophobicContact CZ-CG1 4.24Å; T128-I132 WeakPolarHBondContact O-CB 3.3Å; T128-I132 VanDerWaalsContact O-CG1 3.31Å; T128-I132 WeakPolarHBondContact O-CG1 3.12Å; T128-I132 PolarHBondContact O-N 3.24Å; E129-I132 PolarHBondContact O-N 3.08Å; I132-A134 VanDerWaalsContact C-N 3.3Å; I132-A134 PolarHBondContact O-N 2.71Å; I132-C135 PolarHBondContact O-N 2.69Å; I132-L136 HydrophobicContact CG2-CD1 4.19Å; I132-L136 PolarHBondContact O-N 2.87Å
133A94.1Very high89.4Confident0 Ų043.2 Ų43.20%022%0.217CC..Hα-helixtrans-64.1-34.6175.600000112.6E129 L136 Y137 L152 L156 L163E129-A133 WeakPolarHBondContact O-CB 3.28Å; E129-A133 PolarHBondContact O-N 3.24Å; A133-L136 PolarHBondContact O-N 3.34Å; A133-Y137 WeakPolarHBondContact O-CB 3.15Å; A133-Y137 PolarHBondContact O-N 3.46Å; A133-L152 HydrophobicContact CB-CD2 3.9Å; A133-L156 HydrophobicContact CB-CD1 3.47Å; A133-L156 VanDerWaalsContact CB-CD1 3.47Å; A133-L156 HydrophobicContact CB-CG 4.47Å; A133-L163 HydrophobicContact CB-CD1 3.71Å; A133-L163 HydrophobicContact CB-CD2 4.26Å
134A92.6Very high89.2Confident0 Ų043.4 Ų43.40%023%0.225CC..Hα-helixtrans-68.9-37.6172.800000112.7H130 V131 I132 Y137 L138 L163 F167 L170H130-A134 VanDerWaalsContact O-CB 3.26Å; H130-A134 WeakPolarHBondContact O-CB 3.3Å; H130-A134 PolarHBondContact O-N 3.36Å; V131-A134 PolarHBondContact O-N 2.67Å; I132-A134 VanDerWaalsContact C-N 3.3Å; I132-A134 PolarHBondContact O-N 2.71Å; A134-Y137 PolarHBondContact O-N 2.92Å; A134-L138 WeakPolarHBondContact O-CB 3.28Å; A134-L138 PolarHBondContact O-N 3.1Å; A134-L163 HydrophobicContact CB-CD1 4.46Å; A134-F167 HydrophobicContact CB-CB 4.14Å; A134-L170 HydrophobicContact CB-CD1 3.73Å
135C92.3Very high89.3Confident0 Ų036 Ų360%020%0.199CC..Hα-helixtrans-65.1-42.4171.6-67.30000112.2V131 I132 L138 V139V131-C135 PolarHBondContact O-N 3.49Å; V131-C135 PolarHBondContact O-SG 2.96Å; I132-C135 PolarHBondContact O-N 2.69Å; C135-L138 WeakPolarHBondContact O-CB 3.34Å; C135-L138 PolarHBondContact O-N 3.03Å; C135-V139 PolarHBondContact O-N 3.33Å
136L93Very high89.5Confident1 Ų133.6 Ų33.61%0.00517%0.167CC..Hα-helixtrans-60.6-49.1173.3-80166.6000111I93 L96 L102 L107 A110 I132 A133 L138 V139 C140 L152I93-L136 HydrophobicContact CG2-CD2 4.23Å; L96-L136 HydrophobicContact CB-CD1 3.71Å; L96-L136 HydrophobicContact CD1-CD1 4.22Å; L102-L136 HydrophobicContact CD1-CD2 4.07Å; L107-L136 HydrophobicContact CD2-CD2 3.78Å; A110-L136 HydrophobicContact CB-CD2 3.83Å; A110-L136 HydrophobicContact CB-CG 4.38Å; I132-L136 HydrophobicContact CG2-CD1 4.19Å; I132-L136 PolarHBondContact O-N 2.87Å; A133-L136 PolarHBondContact O-N 3.34Å; L136-L138 VanDerWaalsContact C-N 3.25Å; L136-L138 PolarHBondContact O-N 3.11Å; L136-V139 PolarHBondContact O-N 2.82Å; L136-C140 PolarHBondContact O-N 2.84Å; L136-C140 PolarHBondContact O-SG 3.26Å; L136-L152 HydrophobicContact CB-CD2 4.43Å
137Y91.6Very high89.6Confident29 Ų2930.6 Ų30.611%0.11416%0.156CC..Hα-helixtrans-60.2-35.1178.8-173.8-114.6000113.3A133 A134 C140 R141 L149 L152 F167A133-Y137 WeakPolarHBondContact O-CB 3.15Å; A133-Y137 PolarHBondContact O-N 3.46Å; A134-Y137 PolarHBondContact O-N 2.92Å; Y137-C140 CarbonylContact O-C 3.58Å; Y137-C140 PolarHBondContact O-N 2.94Å; Y137-R141 WeakPolarHBondContact O-CB 3.44Å; Y137-R141 PolarHBondContact O-N 3.31Å; Y137-L149 HydrophobicContact CD1-CD1 3.77Å; Y137-L149 HydrophobicContact CD2-CB 4.25Å; Y137-L149 HydrophobicContact CD2-CD1 3.99Å; Y137-L149 HydrophobicContact CE1-CB 4.41Å; Y137-L149 HydrophobicContact CE1-CD1 4.13Å; Y137-L149 HydrophobicContact CE2-CB 3.87Å; Y137-L149 HydrophobicContact CE2-CD1 4.35Å; Y137-L149 HydrophobicContact CG-CD1 3.69Å; Y137-L152 HydrophobicContact CD2-CD1 4.02Å; Y137-L152 HydrophobicContact CG-CD1 4.25Å; Y137-F167 HydrophobicContact CD1-CD1 4.32Å; Y137-F167 AromaticContact CD1-CD2 3.61Å; Y137-F167 HydrophobicContact CD1-CD2 3.61Å; Y137-F167 HydrophobicContact CD1-CE1 4.4Å; Y137-F167 AromaticContact CD1-CE2 3.67Å; Y137-F167 HydrophobicContact CD1-CE2 3.67Å; Y137-F167 AromaticContact CD1-CG 3.94Å; Y137-F167 HydrophobicContact CD1-CG 3.94Å; Y137-F167 HydrophobicContact CD1-CZ 4.09Å; Y137-F167 HydrophobicContact CE1-CD1 4.31Å; Y137-F167 HydrophobicContact CE1-CD2 4.3Å; Y137-F167 HydrophobicContact CE1-CE1 4.15Å; Y137-F167 HydrophobicContact CE1-CE2 4.12Å; Y137-F167 HydrophobicContact CE1-CG 4.39Å; Y137-F167 HydrophobicContact CE1-CZ 4.06Å
138L89.5Confident89.5Confident2 Ų223.9 Ų23.91%0.0113%0.132CC..Hα-helixtrans-62.3-47.2176.2-174.560.7000111.1A134 C135 L136 R141 T142 F167 L174 I176A134-L138 WeakPolarHBondContact O-CB 3.28Å; A134-L138 PolarHBondContact O-N 3.1Å; C135-L138 WeakPolarHBondContact O-CB 3.34Å; C135-L138 PolarHBondContact O-N 3.03Å; L136-L138 VanDerWaalsContact C-N 3.25Å; L136-L138 PolarHBondContact O-N 3.11Å; L138-R141 WeakPolarHBondContact O-CB 3.27Å; L138-R141 PolarHBondContact O-N 3.09Å; L138-R141 VanDerWaalsContact O-N 3.1Å; L138-T142 PolarHBondContact O-N 3.42Å; L138-F167 HydrophobicContact CB-CE2 4.16Å; L138-F167 HydrophobicContact CD1-CE2 3.81Å; L138-F167 HydrophobicContact CD1-CZ 4.47Å; L138-L174 HydrophobicContact CD2-CD1 3.85Å; L138-I176 HydrophobicContact CD2-CD1 3.58Å; L138-I176 HydrophobicContact CG-CD1 4.31Å
139V89.8Confident89.5Confident1 Ų122.3 Ų22.31%0.00612%0.121CC..Hα-helixtrans-64.9-43.7173.3-1780000111.8C106 T109 A110 F113 C135 L136 R141 T142 E143C106-V139 HydrophobicContact CB-CG1 3.85Å; T109-V139 HydrophobicContact CG2-CG1 4.17Å; T109-V139 HydrophobicContact CG2-CG2 3.94Å; A110-V139 HydrophobicContact CB-CB 4.44Å; A110-V139 HydrophobicContact CB-CG2 3.78Å; F113-V139 HydrophobicContact CD2-CG2 3.5Å; F113-V139 VanDerWaalsContact CD2-CG2 3.5Å; F113-V139 HydrophobicContact CE2-CG2 3.76Å; C135-V139 PolarHBondContact O-N 3.33Å; L136-V139 PolarHBondContact O-N 2.82Å; V139-R141 PolarHBondContact O-N 3.47Å; V139-T142 WeakPolarHBondContact CA-OG1 3.5Å; V139-T142 PolarHBondContact O-N 3.28Å; V139-T142 VanDerWaalsContact O-N 3.15Å; V139-T142 PolarHBondContact O-OG1 2.95Å; V139-E143 HydrophobicContact CG1-CG 3.5Å; V139-E143 WeakPolarHBondContact O-CB 3.45Å; V139-E143 VanDerWaalsContact O-CG 3.3Å; V139-E143 WeakPolarHBondContact O-CG 3.43Å; V139-E143 PolarHBondContact O-N 3.47Å
140C88.3Confident89.5Confident1 Ų119.6 Ų19.61%0.00711%0.109CC..Hα-helixtrans-59.9-12.7174.6-65.40000113.4L136 Y137 T145 H147 K204L136-C140 PolarHBondContact O-N 2.84Å; L136-C140 PolarHBondContact O-SG 3.26Å; Y137-C140 CarbonylContact O-C 3.58Å; Y137-C140 PolarHBondContact O-N 2.94Å; C140-T145 VanDerWaalsContact CA-OG1 3.31Å; C140-T145 WeakPolarHBondContact CA-OG1 3.46Å; C140-T145 WeakPolarHBondContact CB-OG1 3.49Å; C140-T145 PolarHBondContact O-N 3.46Å; C140-T145 PolarHBondContact O-OG1 3.19Å; C140-T145 VanDerWaalsContact O-OG1 3.08Å; C140-H147 HydrophobicContact CB-CB 4.17Å; C140-K204 WeakPolarHBondContact O-CE 3.35Å; C140-K204 PolarHBondContact O-NZ 3.33Å
141R85.4Confident89.4Confident37 Ų3719.5 Ų19.514%0.1411%0.109CC..Hα-helixtrans-100.1-37.5174.6-165.1177.5-178.7172.40.7112.8Y137 L138 V139 L202 K204Y137-R141 WeakPolarHBondContact O-CB 3.44Å; Y137-R141 PolarHBondContact O-N 3.31Å; L138-R141 WeakPolarHBondContact O-CB 3.27Å; L138-R141 PolarHBondContact O-N 3.09Å; L138-R141 VanDerWaalsContact O-N 3.1Å; V139-R141 PolarHBondContact O-N 3.47Å; R141-L202 HydrophobicContact CG-CD1 3.97Å; R141-L202 HydrophobicContact CG-CD2 3.95Å; R141-L202 HydrophobicContact CG-CG 3.79Å; R141-L202 PolarHBondContact NE-O 2.96Å; R141-L202 PolarHBondContact NH2-O 3.5Å; R141-L202 WeakPolarHBondContact O-CD1 3.36Å; R141-K204 HydrophobicContact CG-CG 4.33Å
142T83.2Confident89.4Confident62 Ų6219.5 Ų19.538%0.3811%0.109SC..Hα-helixtrans-69.8-39.7174.257.20000112.2L138 V139 G144L138-T142 PolarHBondContact O-N 3.42Å; V139-T142 WeakPolarHBondContact CA-OG1 3.5Å; V139-T142 PolarHBondContact O-N 3.28Å; V139-T142 VanDerWaalsContact O-N 3.15Å; V139-T142 PolarHBondContact O-OG1 2.95Å; T142-G144 VanDerWaalsContact C-N 3.25Å; T142-G144 PolarHBondContact O-N 3.39Å
143E83.5Confident89.4Confident80 Ų8020 Ų2037%0.37411%0.112SC..THydrogen-bonded Turntrans-83.26.1-180-53.3-74.1112.800113H105 V139 T145H105-E143 IonicContact CE1-OE2 3.62Å; H105-E143 PolarHBondContact CE1-OE2 2.9Å; H105-E143 IonicContact ND1-OE2 3.53Å; H105-E143 PolarHBondContact ND1-OE2 3.15Å; H105-E143 VanDerWaalsContact ND1-OE2 3.1Å; V139-E143 HydrophobicContact CG1-CG 3.5Å; V139-E143 WeakPolarHBondContact O-CB 3.45Å; V139-E143 VanDerWaalsContact O-CG 3.3Å; V139-E143 WeakPolarHBondContact O-CG 3.43Å; V139-E143 PolarHBondContact O-N 3.47Å; E143-T145 HydrophobicContact CB-CG2 4.02Å; E143-T145 PolarHBondContact O-N 3.42Å
144G81.7Confident89.3Confident32 Ų3223.9 Ų23.933%0.3313%0.133SC..  trans66.28.7177.900000116.9T142T142-G144 VanDerWaalsContact C-N 3.25Å; T142-G144 PolarHBondContact O-N 3.39Å
145T86.9Confident89.2Confident23 Ų2327.2 Ų27.214%0.14115%0.15CC..  trans-64.5151.6-172.572.40000114.1C140 E143 H147 K204C140-T145 VanDerWaalsContact CA-OG1 3.31Å; C140-T145 WeakPolarHBondContact CA-OG1 3.46Å; C140-T145 WeakPolarHBondContact CB-OG1 3.49Å; C140-T145 PolarHBondContact O-N 3.46Å; C140-T145 PolarHBondContact O-OG1 3.19Å; C140-T145 VanDerWaalsContact O-OG1 3.08Å; E143-T145 HydrophobicContact CB-CG2 4.02Å; E143-T145 PolarHBondContact O-N 3.42Å; T145-H147 WeakPolarHBondContact CB-ND1 3.41Å; T145-H147 PolarHBondContact O-N 2.98Å; T145-H147 PolarHBondContact OG1-ND1 3.01Å; T145-K204 PolarHBondContact O-NZ 3.37Å
146P87.5Confident89.2Confident42 Ų4228.8 Ų28.827%0.27316%0.159SC..SBendtrans-78.733-176.135-39.5000114.6L208 Y209 R212P146-L208 VanDerWaalsContact CB-O 3.32Å; P146-L208 WeakPolarHBondContact CB-O 3.49Å; P146-Y209 HydrophobicContact CB-CD1 4.35Å; P146-R212 PolarHBondContact O-NH1 3.2Å
147H89.3Confident89.1Confident23 Ų2337.5 Ų37.511%0.10620%0.199CC..  trans-94.6134.6178-60.995.6000111.8L100 L102 C140 T145 K204L100-H147 PolarHBondContact O-NE2 3.21Å; L102-H147 VanDerWaalsContact CD2-CE1 3.45Å; L102-H147 WeakPolarHBondContact CD2-CE1 3.23Å; L102-H147 WeakPolarHBondContact CD2-ND1 3.47Å; C140-H147 HydrophobicContact CB-CB 4.17Å; T145-H147 WeakPolarHBondContact CB-ND1 3.41Å; T145-H147 PolarHBondContact O-N 2.98Å; T145-H147 PolarHBondContact OG1-ND1 3.01Å; H147-K204 PolarHBondContact O-NZ 3.3Å
148M89.3Confident89.2Confident13 Ų1337.1 Ų37.16%0.06420%0.2CC..  trans-100.8155177.7-63.6-172.8-69.600111.4L150 D151 Y209 F213M148-L150 HydrophobicContact CB-CB 4.34Å; M148-L150 PolarHBondContact O-N 3.42Å; M148-D151 PolarHBondContact N-OD2 2.86Å; M148-D151 PolarHBondContact O-N 2.87Å; M148-D151 VanDerWaalsContact O-N 3.08Å; M148-Y209 HydrophobicContact CG-CD1 3.97Å; M148-Y209 HydrophobicContact CG-CE1 3.49Å; M148-Y209 VanDerWaalsContact CG-CE1 3.49Å; M148-Y209 HydrophobicContact SD-CE1 4.48Å; M148-F213 HydrophobicContact CE-CE1 3.71Å; M148-F213 HydrophobicContact CE-CZ 3.54Å; M148-F213 HydrophobicContact SD-CZ 3.92Å
149L90.8Very high89.3Confident26 Ų2641.4 Ų41.414%0.13622%0.223CC..Hα-helixtrans-61.3-26.4172.5-167.265.4000112.5Y137 S153 V160 L163Y137-L149 HydrophobicContact CD1-CD1 3.77Å; Y137-L149 HydrophobicContact CD2-CB 4.25Å; Y137-L149 HydrophobicContact CD2-CD1 3.99Å; Y137-L149 HydrophobicContact CE1-CB 4.41Å; Y137-L149 HydrophobicContact CE1-CD1 4.13Å; Y137-L149 HydrophobicContact CE2-CB 3.87Å; Y137-L149 HydrophobicContact CE2-CD1 4.35Å; Y137-L149 HydrophobicContact CG-CD1 3.69Å; L149-S153 WeakPolarHBondContact O-CB 3.39Å; L149-S153 PolarHBondContact O-N 3.44Å; L149-V160 HydrophobicContact CD2-CG1 3.86Å; L149-V160 HydrophobicContact CG-CG1 4.13Å; L149-L163 HydrophobicContact CD1-CD2 3.55Å; L149-L163 HydrophobicContact CD1-CG 3.84Å; L149-L163 HydrophobicContact CG-CD2 4.18Å
150L91.3Very high89.4Confident27 Ų2742.6 Ų42.614%0.14123%0.23CC..Hα-helixtrans-61.9-39.7173.2-75.2159.7000112.1M148 L152 S153 D154 V160 K277M148-L150 HydrophobicContact CB-CB 4.34Å; M148-L150 PolarHBondContact O-N 3.42Å; L150-L152 VanDerWaalsContact C-N 3.35Å; L150-L152 PolarHBondContact O-N 2.91Å; L150-S153 VanDerWaalsContact O-CB 3.26Å; L150-S153 WeakPolarHBondContact O-CB 3.38Å; L150-S153 PolarHBondContact O-N 3.43Å; L150-S153 VanDerWaalsContact O-N 3.13Å; L150-D154 PolarHBondContact O-N 2.94Å; L150-V160 HydrophobicContact CD2-CG2 3.64Å; L150-K277 HydrophobicContact CB-CD 4.33Å; L150-K277 HydrophobicContact CD1-CB 4.36Å
151D91Very high89.6Confident9 Ų950 Ų505%0.04826%0.259CS..Hα-helixtrans-64.8-40.7-179.1-57.2-50.3000111.6L100 M148 D154 L155 R212 K277L100-D151 HydrophobicContact CD2-CB 4.1Å; M148-D151 PolarHBondContact N-OD2 2.86Å; M148-D151 PolarHBondContact O-N 2.87Å; M148-D151 VanDerWaalsContact O-N 3.08Å; D151-D154 PolarHBondContact O-N 3.12Å; D151-L155 WeakPolarHBondContact O-CG 3.24Å; D151-L155 PolarHBondContact O-N 3.29Å; D151-L155 VanDerWaalsContact O-N 3.14Å; D151-R212 VanDerWaalsContact CG-NH2 3.29Å; D151-R212 IonicContact OD1-NH2 2.8Å; D151-R212 PolarHBondContact OD1-NH2 3.06Å; D151-R212 VanDerWaalsContact OD1-NH2 3.15Å; D151-R212 IonicContact OD2-CZ 3.65Å; D151-R212 IonicContact OD2-NH1 3.52Å; D151-R212 PolarHBondContact OD2-NH1 3.46Å; D151-R212 IonicContact OD2-NH2 3.67Å; D151-R212 PolarHBondContact OD2-NH2 3.1Å; D151-K277 IonicContact OD1-NZ 2.7Å; D151-K277 PolarHBondContact OD1-NZ 3.45Å
152L92.4Very high89.9Confident1 Ų152.1 Ų52.11%0.00527%0.272CS..Hα-helixtrans-68-34.4173.3-75.4154.8000112.7L100 A133 L136 Y137 L150 L156 L163L100-L152 HydrophobicContact CD1-CD2 3.59Å; L100-L152 HydrophobicContact CD1-CG 4.05Å; A133-L152 HydrophobicContact CB-CD2 3.9Å; L136-L152 HydrophobicContact CB-CD2 4.43Å; Y137-L152 HydrophobicContact CD2-CD1 4.02Å; Y137-L152 HydrophobicContact CG-CD1 4.25Å; L150-L152 VanDerWaalsContact C-N 3.35Å; L150-L152 PolarHBondContact O-N 2.91Å; L152-L156 WeakPolarHBondContact O-CB 3.34Å; L152-L156 PolarHBondContact O-N 3.34Å; L152-L156 VanDerWaalsContact O-N 3.1Å; L152-L163 HydrophobicContact CB-CD2 3.87Å
153S93.3Very high90.2Very high10 Ų1049.3 Ų49.37%0.0726%0.255CS..Hα-helixtrans-63.3-41.6175.3-178.90000111.5L149 L150 Q157 V158 V160L149-S153 WeakPolarHBondContact O-CB 3.39Å; L149-S153 PolarHBondContact O-N 3.44Å; L150-S153 VanDerWaalsContact O-CB 3.26Å; L150-S153 WeakPolarHBondContact O-CB 3.38Å; L150-S153 PolarHBondContact O-N 3.43Å; L150-S153 VanDerWaalsContact O-N 3.13Å; S153-Q157 WeakPolarHBondContact O-CA 3.44Å; S153-Q157 PolarHBondContact O-N 2.82Å; S153-V158 PolarHBondContact O-N 3.49Å; S153-V158 PolarHBondContact OG-O 3.24Å; S153-V160 WeakPolarHBondContact OG-CG2 3.39Å; S153-V160 PolarHBondContact OG-N 3.5Å
154D91.9Very high90.6Very high82 Ų8246.2 Ų46.244%0.43925%0.245SC..Hα-helixtrans-71.6-42.8179.7-60.7-27.1000111.6L150 D151 L156 Q157 K277L150-D154 PolarHBondContact O-N 2.94Å; D151-D154 PolarHBondContact O-N 3.12Å; D154-L156 PolarHBondContact O-N 3.01Å; D154-Q157 PolarHBondContact O-N 3.04Å; D154-K277 WeakPolarHBondContact OD2-CD 3.45Å; D154-K277 VanDerWaalsContact OD2-CE 3.28Å; D154-K277 WeakPolarHBondContact OD2-CE 3.17Å; D154-K277 IonicContact OD2-NZ 2.75Å; D154-K277 PolarHBondContact OD2-NZ 3.08Å
155L91.9Very high91Very high70 Ų7052.3 Ų52.337%0.36626%0.262SS..Hα-helixtrans-63.5-37.8176.6-70.4178.6000113Q99 L100 D151Q99-L155 HydrophobicContact CB-CD1 4.01Å; Q99-L155 HydrophobicContact CB-CD2 4.23Å; L100-L155 HydrophobicContact CD1-CD1 4.29Å; L100-L155 HydrophobicContact CD2-CD1 3.6Å; L100-L155 HydrophobicContact CG-CD1 3.62Å; D151-L155 WeakPolarHBondContact O-CG 3.24Å; D151-L155 PolarHBondContact O-N 3.29Å; D151-L155 VanDerWaalsContact O-N 3.14Å
156L91.3Very high91.2Very high33 Ų3351.9 Ų51.917%0.17326%0.259CS..Hα-helixtrans-85.6-12.9176.5-71.4-175.3000114L96 E129 A133 L152 D154 V158L96-L156 HydrophobicContact CD1-CD2 4.29Å; L96-L156 HydrophobicContact CD2-CD2 4.08Å; E129-L156 HydrophobicContact CB-CD2 4.23Å; A133-L156 HydrophobicContact CB-CD1 3.47Å; A133-L156 VanDerWaalsContact CB-CD1 3.47Å; A133-L156 HydrophobicContact CB-CG 4.47Å; L152-L156 WeakPolarHBondContact O-CB 3.34Å; L152-L156 PolarHBondContact O-N 3.34Å; L152-L156 VanDerWaalsContact O-N 3.1Å; D154-L156 PolarHBondContact O-N 3.01Å; L156-V158 HydrophobicContact CB-CB 4.38Å; L156-V158 HydrophobicContact CB-CG2 4.28Å; L156-V158 PolarHBondContact O-N 3.45Å
157Q91.9Very high91.3Very high185 Ų18550.4 Ų50.486%0.86425%0.248SC*.THydrogen-bonded Turntrans53.139.2-171.2-57.3-174.5-2000113.2S153 D154S153-Q157 WeakPolarHBondContact O-CA 3.44Å; S153-Q157 PolarHBondContact O-N 2.82Å; D154-Q157 PolarHBondContact O-N 3.04Å
158V92.6Very high91.3Very high20 Ų2053.5 Ų53.512%0.12127%0.266CS..  trans-122.8138.1-179.3172.50000109.8S153 L156 V160 I162S153-V158 PolarHBondContact O-N 3.49Å; S153-V158 PolarHBondContact OG-O 3.24Å; L156-V158 HydrophobicContact CB-CB 4.38Å; L156-V158 HydrophobicContact CB-CG2 4.28Å; L156-V158 PolarHBondContact O-N 3.45Å; V158-V160 PolarHBondContact O-N 3.32Å; V158-I162 HydrophobicContact CG1-CB 4.18Å; V158-I162 HydrophobicContact CG1-CD1 4.31Å; V158-I162 HydrophobicContact CG1-CG2 4.37Å
159N92.5Very high91.2Very high92 Ų9255.6 Ų55.649%0.49228%0.277SS..  trans-54.4126179.8-174.5-50.1000113.1Y161 I162 L163N159-Y161 PolarHBondContact O-N 2.93Å; N159-Y161 WeakPolarHBondContact OD1-CB 3.43Å; N159-Y161 WeakPolarHBondContact OD1-CD2 2.93Å; N159-Y161 PolarHBondContact OD1-N 3.49Å; N159-I162 HydrophobicContact CB-CD1 4.24Å; N159-I162 HydrophobicContact CB-CG1 4.41Å; N159-I162 WeakPolarHBondContact O-CB 3.27Å; N159-I162 PolarHBondContact O-N 3.24Å; N159-L163 PolarHBondContact O-N 3.41Å
160V91.7Very high91Very high27 Ų2754.5 Ų54.516%0.16427%0.271CS..Hα-helixtrans-42.9-41178.5-170.10000113.7L149 L150 S153 V158 I162 L163 G164L149-V160 HydrophobicContact CD2-CG1 3.86Å; L149-V160 HydrophobicContact CG-CG1 4.13Å; L150-V160 HydrophobicContact CD2-CG2 3.64Å; S153-V160 WeakPolarHBondContact OG-CG2 3.39Å; S153-V160 PolarHBondContact OG-N 3.5Å; V158-V160 PolarHBondContact O-N 3.32Å; V160-I162 VanDerWaalsContact C-N 3.3Å; V160-I162 PolarHBondContact O-N 3.5Å; V160-L163 PolarHBondContact O-N 2.92Å; V160-G164 PolarHBondContact O-N 3.45Å
161Y92.1Very high90.8Very high156 Ų15653.5 Ų53.561%0.61227%0.267SS*.Hα-helixtrans-66.8-30.3-177.3-64.4-67.5000112.9N159 K165N159-Y161 PolarHBondContact O-N 2.93Å; N159-Y161 WeakPolarHBondContact OD1-CB 3.43Å; N159-Y161 WeakPolarHBondContact OD1-CD2 2.93Å; N159-Y161 PolarHBondContact OD1-N 3.49Å; Y161-K165 VanDerWaalsContact O-CG 3.31Å; Y161-K165 WeakPolarHBondContact O-CG 3.39Å; Y161-K165 PolarHBondContact O-N 2.9Å
162I91.4Very high90.4Very high82 Ų8262.5 Ų62.542%0.42130%0.3SS..Hα-helixtrans-70-45.9175.3-58.7175.1000109.3V158 N159 V160 K165 T166V158-I162 HydrophobicContact CG1-CB 4.18Å; V158-I162 HydrophobicContact CG1-CD1 4.31Å; V158-I162 HydrophobicContact CG1-CG2 4.37Å; N159-I162 HydrophobicContact CB-CD1 4.24Å; N159-I162 HydrophobicContact CB-CG1 4.41Å; N159-I162 WeakPolarHBondContact O-CB 3.27Å; N159-I162 PolarHBondContact O-N 3.24Å; V160-I162 VanDerWaalsContact C-N 3.3Å; V160-I162 PolarHBondContact O-N 3.5Å; I162-K165 PolarHBondContact O-N 3.4Å; I162-T166 PolarHBondContact O-N 3.41Å; I162-T166 VanDerWaalsContact O-N 3.09Å; I162-T166 PolarHBondContact O-OG1 3.31Å
163L91Very high89.9Confident3 Ų366.6 Ų66.62%0.01632%0.319CS..Hα-helixtrans-65.3-40.2178.6-17063.4000111.5H130 A133 A134 L149 L152 N159 V160 T166 F167H130-L163 HydrophobicContact CB-CD1 4.34Å; H130-L163 WeakPolarHBondContact O-CD1 3.44Å; A133-L163 HydrophobicContact CB-CD1 3.71Å; A133-L163 HydrophobicContact CB-CD2 4.26Å; A134-L163 HydrophobicContact CB-CD1 4.46Å; L149-L163 HydrophobicContact CD1-CD2 3.55Å; L149-L163 HydrophobicContact CD1-CG 3.84Å; L149-L163 HydrophobicContact CG-CD2 4.18Å; L152-L163 HydrophobicContact CB-CD2 3.87Å; N159-L163 PolarHBondContact O-N 3.41Å; V160-L163 PolarHBondContact O-N 2.92Å; L163-T166 WeakPolarHBondContact CA-OG1 3.33Å; L163-T166 PolarHBondContact O-N 3.14Å; L163-T166 PolarHBondContact O-OG1 2.73Å; L163-F167 WeakPolarHBondContact O-CB 3.35Å; L163-F167 PolarHBondContact O-N 2.99Å
164G91.2Very high89.3Confident15 Ų1566.7 Ų66.716%0.15532%0.319CS..Hα-helixtrans-60.7-44173.700000113V160 T166 F167 L168V160-G164 PolarHBondContact O-N 3.45Å; G164-T166 PolarHBondContact O-N 3.43Å; G164-F167 PolarHBondContact O-N 2.94Å; G164-L168 WeakPolarHBondContact O-CG 3.14Å; G164-L168 PolarHBondContact O-N 3.35Å
165K90.3Very high88.1Confident159 Ų15967.7 Ų67.769%0.69133%0.331SS*.Hα-helixtrans-60.9-41.9173.4-76.6176.3-178.8-173.40112.1Y161 I162 L169Y161-K165 VanDerWaalsContact O-CG 3.31Å; Y161-K165 WeakPolarHBondContact O-CG 3.39Å; Y161-K165 PolarHBondContact O-N 2.9Å; I162-K165 PolarHBondContact O-N 3.4Å; K165-L169 PolarHBondContact O-N 2.92Å
166T90.6Very high87Confident14 Ų1466.2 Ų66.29%0.08632%0.323CS..Hα-helixtrans-66.4-39.8174.744.80000112.5H130 I162 L163 G164 L170H130-T166 HydrophobicContact CB-CG2 4.3Å; I162-T166 PolarHBondContact O-N 3.41Å; I162-T166 VanDerWaalsContact O-N 3.09Å; I162-T166 PolarHBondContact O-OG1 3.31Å; L163-T166 WeakPolarHBondContact CA-OG1 3.33Å; L163-T166 PolarHBondContact O-N 3.14Å; L163-T166 PolarHBondContact O-OG1 2.73Å; G164-T166 PolarHBondContact O-N 3.43Å; T166-L170 WeakPolarHBondContact O-CG 3.42Å; T166-L170 PolarHBondContact O-N 2.77Å
167F90.3Very high85.2Confident11 Ų1171.9 Ų71.95%0.04835%0.354CS..Hα-helixtrans-63.1-50.1177165.8-100.4000112.7A134 Y137 L138 L163 G164 L169 L170 A171A134-F167 HydrophobicContact CB-CB 4.14Å; Y137-F167 HydrophobicContact CD1-CD1 4.32Å; Y137-F167 AromaticContact CD1-CD2 3.61Å; Y137-F167 HydrophobicContact CD1-CD2 3.61Å; Y137-F167 HydrophobicContact CD1-CE1 4.4Å; Y137-F167 AromaticContact CD1-CE2 3.67Å; Y137-F167 HydrophobicContact CD1-CE2 3.67Å; Y137-F167 AromaticContact CD1-CG 3.94Å; Y137-F167 HydrophobicContact CD1-CG 3.94Å; Y137-F167 HydrophobicContact CD1-CZ 4.09Å; Y137-F167 HydrophobicContact CE1-CD1 4.31Å; Y137-F167 HydrophobicContact CE1-CD2 4.3Å; Y137-F167 HydrophobicContact CE1-CE1 4.15Å; Y137-F167 HydrophobicContact CE1-CE2 4.12Å; Y137-F167 HydrophobicContact CE1-CG 4.39Å; Y137-F167 HydrophobicContact CE1-CZ 4.06Å; L138-F167 HydrophobicContact CB-CE2 4.16Å; L138-F167 HydrophobicContact CD1-CE2 3.81Å; L138-F167 HydrophobicContact CD1-CZ 4.47Å; L163-F167 WeakPolarHBondContact O-CB 3.35Å; L163-F167 PolarHBondContact O-N 2.99Å; G164-F167 PolarHBondContact O-N 2.94Å; F167-L169 VanDerWaalsContact C-N 3.27Å; F167-L169 PolarHBondContact O-N 2.97Å; F167-L170 PolarHBondContact O-N 3.45Å; F167-A171 WeakPolarHBondContact O-CB 3.28Å; F167-A171 PolarHBondContact O-N 3.31Å
168L88.2Confident83.3Confident89 Ų8963.7 Ų63.747%0.46632%0.317SS..Hα-helixtrans-58.8-40-179.6-72.8171.4000111.9G164 R172 I181G164-L168 WeakPolarHBondContact O-CG 3.14Å; G164-L168 PolarHBondContact O-N 3.35Å; L168-R172 PolarHBondContact O-N 2.98Å; L168-R172 VanDerWaalsContact O-N 3.08Å; L168-I181 HydrophobicContact CD2-CD1 4.21Å
169L86.9Confident81Confident57 Ų5764.7 Ų64.730%0.29832%0.324SS..Hα-helixtrans-69-44.3177-166.1151000111.8L122 K165 F167 A171 R172 E173L122-L169 HydrophobicContact CD2-CD2 4.3Å; K165-L169 PolarHBondContact O-N 2.92Å; F167-L169 VanDerWaalsContact C-N 3.27Å; F167-L169 PolarHBondContact O-N 2.97Å; L169-A171 VanDerWaalsContact C-N 3.34Å; L169-A171 PolarHBondContact O-N 3.45Å; L169-R172 PolarHBondContact O-N 3.25Å; L169-E173 HydrophobicContact CD2-CG 3.58Å; L169-E173 HydrophobicContact CG-CG 4.34Å; L169-E173 WeakPolarHBondContact O-CB 3.47Å; L169-E173 VanDerWaalsContact O-CG 3.32Å; L169-E173 WeakPolarHBondContact O-CG 3.48Å; L169-E173 PolarHBondContact O-N 2.9Å
170L87.6Confident78.7Confident2 Ų263 Ų631%0.0132%0.323CS..Hα-helixtrans-62.7-40.1175.9-68.8-178.6000111.9V117 L122 V131 A134 T166 F167 R172 E173 L174V117-L170 HydrophobicContact CG1-CD2 3.92Å; V117-L170 HydrophobicContact CG2-CD2 4.02Å; L122-L170 HydrophobicContact CB-CD2 3.91Å; L122-L170 HydrophobicContact CD1-CD2 3.85Å; L122-L170 HydrophobicContact CG-CD2 4.45Å; V131-L170 HydrophobicContact CG1-CD1 4.1Å; A134-L170 HydrophobicContact CB-CD1 3.73Å; T166-L170 WeakPolarHBondContact O-CG 3.42Å; T166-L170 PolarHBondContact O-N 2.77Å; F167-L170 PolarHBondContact O-N 3.45Å; L170-R172 PolarHBondContact O-N 3.08Å; L170-E173 PolarHBondContact O-N 2.95Å; L170-L174 HydrophobicContact CB-CD1 4.28Å; L170-L174 WeakPolarHBondContact O-CB 3.36Å; L170-L174 WeakPolarHBondContact O-CD1 3.26Å; L170-L174 WeakPolarHBondContact O-CG 3.49Å; L170-L174 PolarHBondContact O-N 2.98Å
171A85.9Confident76.4Confident7 Ų765.8 Ų65.86%0.05834%0.336CS..Hα-helixtrans-59.7-46.1175.900000111.7F167 L169 C175F167-A171 WeakPolarHBondContact O-CB 3.28Å; F167-A171 PolarHBondContact O-N 3.31Å; L169-A171 VanDerWaalsContact C-N 3.34Å; L169-A171 PolarHBondContact O-N 3.45Å; A171-C175 PolarHBondContact O-N 3.36Å
172R84.1Confident74Confident197 Ų19761.3 Ų61.374%0.74334%0.337SS*.Hα-helixtrans-61-52.2175.2-176.1179.6178.7176.11112.1L168 L169 L170 L174 C175L168-R172 PolarHBondContact O-N 2.98Å; L168-R172 VanDerWaalsContact O-N 3.08Å; L169-R172 PolarHBondContact O-N 3.25Å; L170-R172 PolarHBondContact O-N 3.08Å; R172-L174 VanDerWaalsContact C-N 3.34Å; R172-L174 PolarHBondContact O-N 3.23Å; R172-C175 PolarHBondContact O-N 3.18Å
173E81.8Confident71.6Confident88 Ų8862.4 Ų62.441%0.41136%0.358SS..Hα-helixtrans-72.2-24.4-174.5-70.2-67.4167.600114.1K120 L122 L169 L170 C175K120-E173 PolarHBondContact NZ-O 2.93Å; L122-E173 HydrophobicContact CD1-CB 3.63Å; L122-E173 HydrophobicContact CD1-CG 4.36Å; L122-E173 HydrophobicContact CD2-CB 3.98Å; L122-E173 HydrophobicContact CD2-CG 3.78Å; L122-E173 HydrophobicContact CG-CB 4.46Å; L169-E173 HydrophobicContact CD2-CG 3.58Å; L169-E173 HydrophobicContact CG-CG 4.34Å; L169-E173 WeakPolarHBondContact O-CB 3.47Å; L169-E173 VanDerWaalsContact O-CG 3.32Å; L169-E173 WeakPolarHBondContact O-CG 3.48Å; L169-E173 PolarHBondContact O-N 2.9Å; L170-E173 PolarHBondContact O-N 2.95Å; E173-C175 VanDerWaalsContact C-N 3.3Å
174L79.9Confident69.2Low12 Ų1266.8 Ų66.86%0.06340%0.395CS..Hα-helixtrans-83.4-7.9175.8-66.2169.2000112.6L116 V117 K120 L138 L170 R172 I176L116-L174 HydrophobicContact CB-CD2 4.31Å; L116-L174 HydrophobicContact CD2-CD2 3.74Å; L116-L174 HydrophobicContact CG-CD2 3.71Å; V117-L174 HydrophobicContact CG2-CD1 3.76Å; V117-L174 HydrophobicContact CG2-CD2 3.81Å; V117-L174 HydrophobicContact CG2-CG 4.21Å; K120-L174 HydrophobicContact CD-CD2 4.37Å; L138-L174 HydrophobicContact CD2-CD1 3.85Å; L170-L174 HydrophobicContact CB-CD1 4.28Å; L170-L174 WeakPolarHBondContact O-CB 3.36Å; L170-L174 WeakPolarHBondContact O-CD1 3.26Å; L170-L174 WeakPolarHBondContact O-CG 3.49Å; L170-L174 PolarHBondContact O-N 2.98Å; R172-L174 VanDerWaalsContact C-N 3.34Å; R172-L174 PolarHBondContact O-N 3.23Å; L174-I176 HydrophobicContact CB-CD1 3.55Å; L174-I176 HydrophobicContact CB-CG1 3.98Å; L174-I176 HydrophobicContact CD1-CD1 3.91Å; L174-I176 HydrophobicContact CG-CD1 4.35Å; L174-I176 PolarHBondContact O-N 2.93Å; L174-I176 VanDerWaalsContact O-N 3.16Å
175C66.3Low66.7Low102 Ų10270.5 Ų70.569%0.68942%0.424SS*.THydrogen-bonded Turntrans51.330.2-175.4-52.30000113.2A171 R172 E173 N177A171-C175 PolarHBondContact O-N 3.36Å; R172-C175 PolarHBondContact O-N 3.18Å; E173-C175 VanDerWaalsContact C-N 3.3Å; C175-N177 PolarHBondContact O-N 2.95Å
176I69.3Low64.4Low40 Ų4071.5 Ų71.521%0.20543%0.432CS..  trans-77.5123.4173.1-68155.7000105.6F113 L138 L174 A178F113-I176 HydrophobicContact CD1-CD1 3.73Å; F113-I176 HydrophobicContact CE1-CD1 3.31Å; F113-I176 HydrophobicContact CE1-CG1 4.09Å; F113-I176 HydrophobicContact CZ-CD1 4.02Å; L138-I176 HydrophobicContact CD2-CD1 3.58Å; L138-I176 HydrophobicContact CG-CD1 4.31Å; L174-I176 HydrophobicContact CB-CD1 3.55Å; L174-I176 HydrophobicContact CB-CG1 3.98Å; L174-I176 HydrophobicContact CD1-CD1 3.91Å; L174-I176 HydrophobicContact CG-CD1 4.35Å; L174-I176 PolarHBondContact O-N 2.93Å; L174-I176 VanDerWaalsContact O-N 3.16Å; I176-A178 PolarHBondContact O-N 2.94Å
177N53.5Low62Low152 Ų15280.1 Ų80.181%0.81347%0.468SS*.  trans-61.885.9174.1-95.45000109.6C175 P179C175-N177 PolarHBondContact O-N 2.95Å; N177-P179 VanDerWaalsContact C-CD 3.49Å; N177-P179 WeakPolarHBondContact O-CD 3.4Å
178A51.3Low59.5Low12 Ų1288.7 Ų88.710%0.09951%0.508CS..  trans-105.690.9172.100000107.2I176 A180 I181 L202I176-A178 PolarHBondContact O-N 2.94Å; A178-A180 PolarHBondContact O-N 3.06Å; A178-I181 PolarHBondContact O-N 3.36Å; A178-L202 HydrophobicContact CB-CD2 3.65Å
179P45.8Very low57Low41 Ų4191.8 Ų91.827%0.26652%0.524SS..THydrogen-bonded Turntrans-69.537.8-17627.9-36.7000114.4N177 I181 L202N177-P179 VanDerWaalsContact C-CD 3.49Å; N177-P179 WeakPolarHBondContact O-CD 3.4Å; P179-I181 VanDerWaalsContact C-N 3.32Å; P179-L202 HydrophobicContact CG-CB 3.63Å
180A43.6Very low54.7Low56 Ų5697 Ų9746%0.46355%0.552SS.*THydrogen-bonded Turntrans-82-11.6155.700000112.6A178A178-A180 PolarHBondContact O-N 3.06Å
181I44.5Very low52.2Low87 Ų87102.6 Ų102.645%0.44659%0.586SS.*SBendtrans-127.345.1-176.4-39.6179.7000109.9L168 A178 P179 A183L168-I181 HydrophobicContact CD2-CD1 4.21Å; A178-I181 PolarHBondContact O-N 3.36Å; P179-I181 VanDerWaalsContact C-N 3.32Å; I181-A183 PolarHBondContact O-N 3.16Å
182G40.8Very low50Low61 Ų61107.2 Ų107.263%0.62962%0.624SS**THydrogen-bonded Turntrans-82.595.9169.600000110.1
183A41.3Very low47.7Very low105 Ų105101.6 Ų101.687%0.86863%0.627SS**THydrogen-bonded Turntrans-170.6-29.116800000113.9I181I181-A183 PolarHBondContact O-N 3.16Å
184A39.9Very low45.2Very low95 Ų95106.2 Ų106.279%0.78565%0.649SS**SBendtrans-124.33.5-162.200000116.3
185A38.4Very low43Very low93 Ų93113.9 Ų113.977%0.76968%0.684SS**SBendtrans-122.61-173.800000114.7
186E42.9Very low41.8Very low181 Ų181116.5 Ų116.585%0.84669%0.691SS**  trans-114.972.9-178.1-70.3176.6175.800110.4
187K39.3Very low40.4Very low195 Ų195124.1 Ų124.185%0.84872%0.717SS**SBendtrans-112.3130.3150.5-72.8-171.1175.8-173.40106.5
188H38.2Very low39.5Very low191 Ų191122.1 Ų122.188%0.88472%0.715SS**SBendtrans73.175.3-172.3-57-99.9000117.1
189L36.5Very low39Very low153 Ų153126.4 Ų126.480%0.80174%0.736SS**  -154.894.9123.5-169.660.2000111.4V191L189-V191 HydrophobicContact CD1-CG2 4.5Å; L189-V191 HydrophobicContact CG-CG2 4.27Å; L189-V191 PolarHBondContact O-N 3.41Å
190N38.1Very low38.9Very low168 Ų168130.1 Ų130.190%0.89875%0.75SS**  trans-75.6103.9169.1-74.9-15.9000109.7
191V34.8Very low38.7Very low119 Ų119133.4 Ų133.472%0.72176%0.759SS**  trans-126.2106.2156.1177.70000107.4L189L189-V191 HydrophobicContact CD1-CG2 4.5Å; L189-V191 HydrophobicContact CG-CG2 4.27Å; L189-V191 PolarHBondContact O-N 3.41Å
192A38.8Very low38.9Very low103 Ų103130.2 Ų130.285%0.85174%0.743SS**  trans-68.7141.8175.200000110.6
193G35.8Very low39.8Very low79 Ų79133.6 Ų133.681%0.81474%0.74SS**  trans8853.7163.500000116.9
194H30.1Very low41Very low186 Ų186130.2 Ų130.286%0.86171%0.706SS**  trans-139.6134.6148.7-145.3-72.1000111.4D196H194-D196 PolarHBondContact O-N 3.46Å
195Q34.5Very low42.9Very low173 Ų173128 Ų12881%0.80868%0.68SS**  trans-72.6115.8-167.9-65.6157.9-3.300112.3W197Q195-W197 PolarHBondContact O-N 3.01Å
196D41Very low45.1Very low156 Ų156123.8 Ų123.883%0.83465%0.645SS**SBendtrans37.912.2137.4-137.27.2000122.7H194H194-D196 PolarHBondContact O-N 3.46Å
197W38.3Very low47.1Very low200 Ų200116.1 Ų116.176%0.75861%0.612SS**  trans-88.8-25.4-173.8-171.3-87.7000114.5Q195 L199 H200Q195-W197 PolarHBondContact O-N 3.01Å; W197-L199 VanDerWaalsContact C-N 3.35Å; W197-L199 PolarHBondContact O-N 2.87Å; W197-H200 PolarHBondContact O-N 3.41Å
198S35.4Very low49.4Very low110 Ų110110.5 Ų110.577%0.76959%0.591SS**THydrogen-bonded Turntrans-71.4-20.9-170.5-720000115.3H200S198-H200 VanDerWaalsContact C-N 3.35Å
199L41.1Very low51.9Low103 Ų103101.9 Ų101.954%0.53955%0.55SS.*THydrogen-bonded Turntrans-79.5-16.5-178.7-15079.1000113.3W197W197-L199 VanDerWaalsContact C-N 3.35Å; W197-L199 PolarHBondContact O-N 2.87Å
200H42.6Very low54.6Low118 Ų11894.6 Ų94.655%0.54651%0.512SS..G310 helixtrans-74.7-26.7-177-136.8103000112.8W197 S198 L202W197-H200 PolarHBondContact O-N 3.41Å; S198-H200 VanDerWaalsContact C-N 3.35Å; H200-L202 VanDerWaalsContact C-N 3.27Å; H200-L202 PolarHBondContact O-N 2.98Å
201L39.6Very low57.1Low126 Ų12689.9 Ų89.966%0.6649%0.49SS*.G310 helixtrans-70.8-6.9-158.8-125.479.5000116.8
202L49.8Very low59.7Low20 Ų2087.1 Ų87.111%0.10547%0.467CS..G310 helixtrans-145.615.1-178.6-138.177.1000117R141 A178 P179 H200 K204R141-L202 HydrophobicContact CG-CD1 3.97Å; R141-L202 HydrophobicContact CG-CD2 3.95Å; R141-L202 HydrophobicContact CG-CG 3.79Å; R141-L202 PolarHBondContact NE-O 2.96Å; R141-L202 PolarHBondContact NH2-O 3.5Å; R141-L202 WeakPolarHBondContact O-CD1 3.36Å; A178-L202 HydrophobicContact CB-CD2 3.65Å; P179-L202 HydrophobicContact CG-CB 3.63Å; H200-L202 VanDerWaalsContact C-N 3.27Å; H200-L202 PolarHBondContact O-N 2.98Å; L202-K204 PolarHBondContact O-N 3.47Å
203K59.4Low62.3Low131 Ų13182.2 Ų82.257%0.5743%0.427SS*.SBendtrans-77111.8156.6-70.6177.6-177.3172.90106.1D205K203-D205 PolarHBondContact O-N 3.26Å
204K66.4Low65Low34 Ų3478.5 Ų78.515%0.14839%0.388CS..  trans-65.2112.3-179.9-83.3-156171.2-156.10109.1C140 R141 T145 H147 L202 Y209C140-K204 WeakPolarHBondContact O-CE 3.35Å; C140-K204 PolarHBondContact O-NZ 3.33Å; R141-K204 HydrophobicContact CG-CG 4.33Å; T145-K204 PolarHBondContact O-NZ 3.37Å; H147-K204 PolarHBondContact O-NZ 3.3Å; L202-K204 PolarHBondContact O-N 3.47Å; K204-Y209 WeakPolarHBondContact CD-OH 3.5Å
205D78.9Confident67.9Low48 Ų4876.5 Ų76.526%0.25738%0.379SS..  trans-60.4130.7177.7-80.2-53.6000111.1K203 C207 L208 K238K203-D205 PolarHBondContact O-N 3.26Å; D205-C207 PolarHBondContact O-N 2.94Å; D205-L208 HydrophobicContact CB-CD1 4.29Å; D205-L208 HydrophobicContact CB-CG 4.34Å; D205-L208 PolarHBondContact O-N 3.27Å; D205-K238 IonicContact OD1-NZ 3.6Å; D205-K238 PolarHBondContact OD1-NZ 3.38Å
206P84.4Confident70.5Confident5 Ų572.3 Ų72.33%0.03236%0.361CS..G310 helixtrans-59.3-33178.722.9-32.6000112L208 Y209 V234 P248 C252P206-L208 PolarHBondContact O-N 3.34Å; P206-L208 VanDerWaalsContact O-N 3.09Å; P206-Y209 WeakPolarHBondContact O-CD2 3.48Å; P206-Y209 PolarHBondContact O-N 3.32Å; P206-Y209 VanDerWaalsContact O-N 3.11Å; P206-V234 HydrophobicContact CB-CG1 3.58Å; P206-V234 HydrophobicContact CG-CG1 3.42Å; P206-V234 VanDerWaalsContact CG-CG1 3.42Å; P206-P248 HydrophobicContact CB-CB 3.77Å; P206-C252 PolarHBondContact O-SG 3.34Å
207C85.9Confident72.8Confident21 Ų2165.4 Ų65.414%0.14232%0.323CS..G310 helixtrans-48.4-37.5177.1-55.90000113.7D205 Y209 I210 L231D205-C207 PolarHBondContact O-N 2.94Å; C207-Y209 PolarHBondContact O-N 3.07Å; C207-I210 PolarHBondContact O-N 2.62Å; C207-L231 HydrophobicContact CB-CD2 3.58Å; C207-L231 WeakPolarHBondContact O-CD2 3.45Å
208L88.2Confident75.1Confident77 Ų7763.1 Ų63.140%0.40332%0.321SS..G310 helixtrans-61-29.4-176.7-66.2166.9000113.2P146 D205 P206P146-L208 VanDerWaalsContact CB-O 3.32Å; P146-L208 WeakPolarHBondContact CB-O 3.49Å; D205-L208 HydrophobicContact CB-CD1 4.29Å; D205-L208 HydrophobicContact CB-CG 4.34Å; D205-L208 PolarHBondContact O-N 3.27Å; P206-L208 PolarHBondContact O-N 3.34Å; P206-L208 VanDerWaalsContact O-N 3.09Å
209Y89.9Confident77.5Confident10 Ų1057.9 Ų57.94%0.03929%0.285CS..G310 helixtrans-83.1-20-176.6-55-72.5000113.7P146 M148 K204 P206 C207 R212 F213 P248P146-Y209 HydrophobicContact CB-CD1 4.35Å; M148-Y209 HydrophobicContact CG-CD1 3.97Å; M148-Y209 HydrophobicContact CG-CE1 3.49Å; M148-Y209 VanDerWaalsContact CG-CE1 3.49Å; M148-Y209 HydrophobicContact SD-CE1 4.48Å; K204-Y209 WeakPolarHBondContact CD-OH 3.5Å; P206-Y209 WeakPolarHBondContact O-CD2 3.48Å; P206-Y209 PolarHBondContact O-N 3.32Å; P206-Y209 VanDerWaalsContact O-N 3.11Å; C207-Y209 PolarHBondContact O-N 3.07Å; Y209-R212 PolarHBondContact O-N 3.33Å; Y209-F213 VanDerWaalsContact CB-CE2 3.49Å; Y209-F213 HydrophobicContact CG-CE2 4.33Å; Y209-F213 WeakPolarHBondContact O-CD2 3.38Å; Y209-F213 WeakPolarHBondContact O-CG 3.34Å; Y209-F213 PolarHBondContact O-N 3.39Å; Y209-P248 HydrophobicContact CE2-CB 4.33Å; Y209-P248 HydrophobicContact CE2-CG 4.03Å
210I92.7Very high79.6Confident0 Ų055.1 Ų55.10%028%0.281CS..Hα-helixtrans-62.2-48.5-170-59.8176.8000112.4C207 R212 F213 A214 A230 L231 V234 C252 L256C207-I210 PolarHBondContact O-N 2.62Å; I210-R212 VanDerWaalsContact C-N 3.28Å; I210-R212 PolarHBondContact O-N 3.28Å; I210-F213 PolarHBondContact O-N 3.25Å; I210-A214 WeakPolarHBondContact O-CB 3.19Å; I210-A214 PolarHBondContact O-N 3.17Å; I210-A230 HydrophobicContact CG2-CB 3.7Å; I210-L231 HydrophobicContact CB-CD2 4.36Å; I210-L231 HydrophobicContact CB-CG 4.31Å; I210-L231 HydrophobicContact CD1-CD2 3.95Å; I210-L231 HydrophobicContact CD1-CG 4.09Å; I210-L231 HydrophobicContact CG2-CG 4.27Å; I210-V234 HydrophobicContact CD1-CB 3.72Å; I210-V234 HydrophobicContact CD1-CG1 4.16Å; I210-V234 HydrophobicContact CD1-CG2 3.52Å; I210-C252 HydrophobicContact CG1-CB 4.34Å; I210-L256 HydrophobicContact CG2-CD2 3.96Å; I210-L256 HydrophobicContact CG2-CG 4.3Å
211P91.2Very high81.7Confident68 Ų6857.7 Ų57.744%0.44230%0.299SS..Hα-helixtrans-61.5-36.8-179.8-23.134.8000112.7H215P211-H215 PolarHBondContact O-N 3.48Å; P211-H215 VanDerWaalsContact O-N 3.08Å
212R90.4Very high84Confident61 Ų6155.9 Ų55.923%0.2329%0.285CS..Hα-helixtrans-67-47.2177.3179.1179.3167.4-141.6-11.3111.3P146 D151 Y209 I210 H215 M216P146-R212 PolarHBondContact O-NH1 3.2Å; D151-R212 VanDerWaalsContact CG-NH2 3.29Å; D151-R212 IonicContact OD1-NH2 2.8Å; D151-R212 PolarHBondContact OD1-NH2 3.06Å; D151-R212 VanDerWaalsContact OD1-NH2 3.15Å; D151-R212 IonicContact OD2-CZ 3.65Å; D151-R212 IonicContact OD2-NH1 3.52Å; D151-R212 PolarHBondContact OD2-NH1 3.46Å; D151-R212 IonicContact OD2-NH2 3.67Å; D151-R212 PolarHBondContact OD2-NH2 3.1Å; Y209-R212 PolarHBondContact O-N 3.33Å; I210-R212 VanDerWaalsContact C-N 3.28Å; I210-R212 PolarHBondContact O-N 3.28Å; R212-H215 PolarHBondContact O-N 3.08Å; R212-M216 HydrophobicContact CG-SD 4.4Å; R212-M216 WeakPolarHBondContact O-CG 3.24Å; R212-M216 PolarHBondContact O-N 3.29Å; R212-M216 VanDerWaalsContact O-N 3.17Å
213F92.3Very high85.9Confident1 Ų156.9 Ų56.90%0.00429%0.291CS..Hα-helixtrans-67.5-36.2177.8-67.1-33.7000112.5M148 Y209 I210 M216 L217 C252 L256 V275 V276M148-F213 HydrophobicContact CE-CE1 3.71Å; M148-F213 HydrophobicContact CE-CZ 3.54Å; M148-F213 HydrophobicContact SD-CZ 3.92Å; Y209-F213 VanDerWaalsContact CB-CE2 3.49Å; Y209-F213 HydrophobicContact CG-CE2 4.33Å; Y209-F213 WeakPolarHBondContact O-CD2 3.38Å; Y209-F213 WeakPolarHBondContact O-CG 3.34Å; Y209-F213 PolarHBondContact O-N 3.39Å; I210-F213 PolarHBondContact O-N 3.25Å; F213-M216 PolarHBondContact O-N 3.31Å; F213-L217 WeakPolarHBondContact O-CG 3.46Å; F213-L217 PolarHBondContact O-N 3.01Å; F213-L217 VanDerWaalsContact O-N 3.1Å; F213-C252 HydrophobicContact CD2-CB 4.03Å; F213-C252 HydrophobicContact CE2-CB 3.99Å; F213-L256 HydrophobicContact CB-CD1 3.5Å; F213-L256 VanDerWaalsContact CB-CD1 3.5Å; F213-L256 HydrophobicContact CD2-CD1 4.23Å; F213-L256 HydrophobicContact CG-CD1 4.36Å; F213-V275 HydrophobicContact CB-CG1 4.05Å; F213-V275 HydrophobicContact CD1-CG1 3.67Å; F213-V275 HydrophobicContact CG-CG1 4.18Å; F213-V276 HydrophobicContact CD2-CG2 4.24Å; F213-V276 HydrophobicContact CE2-CG2 4.41Å; F213-V276 HydrophobicContact CG-CG2 4.35Å
214A92.7Very high87.5Confident1 Ų157.2 Ų57.21%0.00829%0.294CS..Hα-helixtrans-64-43.3176.200000111.9I210 M216 L217 E218 F219 N223 S227 L256I210-A214 WeakPolarHBondContact O-CB 3.19Å; I210-A214 PolarHBondContact O-N 3.17Å; A214-M216 VanDerWaalsContact C-N 3.3Å; A214-M216 PolarHBondContact O-N 3.26Å; A214-L217 PolarHBondContact O-N 2.92Å; A214-E218 PolarHBondContact O-N 3.38Å; A214-F219 HydrophobicContact CB-CD2 4.2Å; A214-F219 HydrophobicContact CB-CE2 4.07Å; A214-N223 PolarHBondContact O-OD1 2.94Å; A214-S227 WeakPolarHBondContact CB-OG 3.2Å; A214-L256 HydrophobicContact CB-CD2 4.09Å
215H90.5Very high88.6Confident144 Ų14459.8 Ų59.867%0.66731%0.307SS*.Hα-helixtrans-59.4-40.5173.3-172.363.8000112.2P211 R212 L217 E218P211-H215 PolarHBondContact O-N 3.48Å; P211-H215 VanDerWaalsContact O-N 3.08Å; R212-H215 PolarHBondContact O-N 3.08Å; H215-L217 VanDerWaalsContact C-N 3.25Å; H215-L217 PolarHBondContact O-N 2.85Å; H215-E218 PolarHBondContact O-N 3.11Å
216M89.3Confident89.3Confident85 Ų8557.5 Ų57.542%0.41929%0.294SS..Hα-helixtrans-70.6-12.6175.6-68.717767.300114.8R212 F213 A214 V275R212-M216 HydrophobicContact CG-SD 4.4Å; R212-M216 WeakPolarHBondContact O-CG 3.24Å; R212-M216 PolarHBondContact O-N 3.29Å; R212-M216 VanDerWaalsContact O-N 3.17Å; F213-M216 PolarHBondContact O-N 3.31Å; A214-M216 VanDerWaalsContact C-N 3.3Å; A214-M216 PolarHBondContact O-N 3.26Å; M216-V275 HydrophobicContact CB-CG1 3.68Å; M216-V275 HydrophobicContact CB-CG2 4.02Å; M216-V275 HydrophobicContact CE-CG1 4.08Å; M216-V275 HydrophobicContact CE-CG2 4.45Å; M216-V275 HydrophobicContact SD-CG1 4.16Å
217L89.5Confident89.7Confident10 Ų1057.9 Ų57.95%0.05230%0.297CS..THydrogen-bonded Turntrans-102.9-0.9177.6-72168.9000113.4F213 A214 H215 F219 L256 R267 V272 V275F213-L217 WeakPolarHBondContact O-CG 3.46Å; F213-L217 PolarHBondContact O-N 3.01Å; F213-L217 VanDerWaalsContact O-N 3.1Å; A214-L217 PolarHBondContact O-N 2.92Å; H215-L217 VanDerWaalsContact C-N 3.25Å; H215-L217 PolarHBondContact O-N 2.85Å; L217-F219 HydrophobicContact CB-CD2 4.28Å; L217-F219 HydrophobicContact CB-CE1 4.34Å; L217-F219 HydrophobicContact CB-CE2 3.67Å; L217-F219 HydrophobicContact CB-CZ 3.7Å; L217-F219 HydrophobicContact CD1-CE2 4.16Å; L217-F219 HydrophobicContact CD1-CZ 3.89Å; L217-F219 HydrophobicContact CG-CZ 4.43Å; L217-F219 PolarHBondContact O-N 3.19Å; L217-L256 HydrophobicContact CD1-CD1 4.36Å; L217-R267 PolarHBondContact O-NE 3.23Å; L217-R267 PolarHBondContact O-NH2 3.05Å; L217-V272 HydrophobicContact CD1-CG2 4.33Å; L217-V272 HydrophobicContact CD2-CG2 4.19Å; L217-V275 HydrophobicContact CD2-CB 4.18Å; L217-V275 HydrophobicContact CD2-CG2 3.7Å; L217-V275 HydrophobicContact CG-CB 4.37Å; L217-V275 HydrophobicContact CG-CG1 4.34Å; L217-V275 HydrophobicContact CG-CG2 4.07Å
218E86.5Confident90Very high152 Ų15261.6 Ų61.671%0.7131%0.314SS*.THydrogen-bonded Turntrans49.960.2170-59.6-177.7175.100113.9A214 H215 G220 R267A214-E218 PolarHBondContact O-N 3.38Å; H215-E218 PolarHBondContact O-N 3.11Å; E218-G220 PolarHBondContact O-N 2.94Å; E218-G220 VanDerWaalsContact O-N 3.13Å; E218-R267 PolarHBondContact O-NH2 3.07Å
219F85.4Confident90.1Very high1 Ų158.1 Ų58.10%0.00430%0.296CS..  trans-78.819.8177.5-53.3-75.9000114.6A214 L217 N223 V226 L256 A260 F265 R267A214-F219 HydrophobicContact CB-CD2 4.2Å; A214-F219 HydrophobicContact CB-CE2 4.07Å; L217-F219 HydrophobicContact CB-CD2 4.28Å; L217-F219 HydrophobicContact CB-CE1 4.34Å; L217-F219 HydrophobicContact CB-CE2 3.67Å; L217-F219 HydrophobicContact CB-CZ 3.7Å; L217-F219 HydrophobicContact CD1-CE2 4.16Å; L217-F219 HydrophobicContact CD1-CZ 3.89Å; L217-F219 HydrophobicContact CG-CZ 4.43Å; L217-F219 PolarHBondContact O-N 3.19Å; F219-N223 WeakPolarHBondContact CA-OD1 3.42Å; F219-N223 VanDerWaalsContact CB-OD1 3.3Å; F219-N223 WeakPolarHBondContact CB-OD1 3.4Å; F219-N223 PolarHBondContact N-OD1 3.36Å; F219-V226 HydrophobicContact CB-CG2 4.4Å; F219-V226 HydrophobicContact CD1-CG1 4.46Å; F219-V226 HydrophobicContact CD2-CB 4.32Å; F219-V226 HydrophobicContact CD2-CG1 3.92Å; F219-V226 HydrophobicContact CE1-CG1 4.38Å; F219-V226 HydrophobicContact CE2-CG1 3.8Å; F219-V226 HydrophobicContact CG-CB 4.48Å; F219-V226 HydrophobicContact CG-CG1 4.24Å; F219-V226 HydrophobicContact CG-CG2 4.42Å; F219-V226 HydrophobicContact CZ-CG1 4.05Å; F219-L256 HydrophobicContact CE2-CD2 4.27Å; F219-A260 HydrophobicContact CD1-CB 4.43Å; F219-A260 HydrophobicContact CE1-CB 3.55Å; F219-A260 HydrophobicContact CZ-CB 4.01Å; F219-F265 HydrophobicContact CD1-CB 4.1Å; F219-F265 HydrophobicContact CD1-CD2 4.41Å; F219-F265 HydrophobicContact CD1-CG 4.14Å; F219-F265 HydrophobicContact CE1-CB 4.47Å; F219-F265 WeakPolarHBondContact O-CZ 3.34Å; F219-R267 HydrophobicContact CD1-CG 4.39Å; F219-R267 HydrophobicContact CE1-CG 3.71Å
220G85.1Confident90.3Very high44 Ų4457.6 Ų57.645%0.45429%0.294SS..G310 helixtrans57.3-139.1179.100000113.8E218 K222 N223E218-G220 PolarHBondContact O-N 2.94Å; E218-G220 VanDerWaalsContact O-N 3.13Å; G220-K222 VanDerWaalsContact C-N 3.25Å; G220-K222 PolarHBondContact O-N 3.35Å; G220-N223 PolarHBondContact N-ND2 3.11Å; G220-N223 WeakPolarHBondContact O-CB 3.42Å; G220-N223 VanDerWaalsContact O-CG 3.23Å; G220-N223 PolarHBondContact O-N 2.96Å; G220-N223 PolarHBondContact O-ND2 3.36Å
221D86.6Confident90.3Very high173 Ų17359 Ų5993%0.92530%0.301SS*.G310 helixtrans-65.7-28.2-174.3-51.8-48.2000112.9N223D221-N223 VanDerWaalsContact C-N 3.29Å; D221-N223 PolarHBondContact O-N 2.8Å
222K87.9Confident90.3Very high87 Ų8758.5 Ų58.538%0.37829%0.29SS..G310 helixtrans-86.18.9179.6-66.1-172.8161.5-108.70114.4G220 H224 E225 V226 F265G220-K222 VanDerWaalsContact C-N 3.25Å; G220-K222 PolarHBondContact O-N 3.35Å; K222-H224 PolarHBondContact O-N 3.34Å; K222-H224 VanDerWaalsContact O-N 3.1Å; K222-E225 WeakPolarHBondContact CD-OE2 3.44Å; K222-E225 WeakPolarHBondContact CE-OE2 3.4Å; K222-E225 WeakPolarHBondContact CG-OE2 3.26Å; K222-E225 IonicContact NZ-OE1 3.38Å; K222-E225 IonicContact NZ-OE2 3.1Å; K222-E225 PolarHBondContact NZ-OE2 3.34Å; K222-E225 PolarHBondContact O-N 3.22Å; K222-E225 VanDerWaalsContact O-N 3.13Å; K222-V226 WeakPolarHBondContact O-CG2 3.48Å; K222-V226 PolarHBondContact O-N 3.21Å; K222-F265 HydrophobicContact CB-CE2 3.7Å; K222-F265 HydrophobicContact CB-CZ 3.93Å; K222-F265 HydrophobicContact CD-CE2 3.94Å; K222-F265 HydrophobicContact CD-CZ 4.16Å; K222-F265 HydrophobicContact CG-CE2 4.36Å; K222-F265 HydrophobicContact CG-CZ 4.39Å
223N91.4Very high90.3Very high42 Ų4255.9 Ų55.923%0.22528%0.281CS..Hα-helixtrans-46.7-40.9175.2-93.1-46.2000113.1A214 F219 G220 D221 S227A214-N223 PolarHBondContact O-OD1 2.94Å; F219-N223 WeakPolarHBondContact CA-OD1 3.42Å; F219-N223 VanDerWaalsContact CB-OD1 3.3Å; F219-N223 WeakPolarHBondContact CB-OD1 3.4Å; F219-N223 PolarHBondContact N-OD1 3.36Å; G220-N223 PolarHBondContact N-ND2 3.11Å; G220-N223 WeakPolarHBondContact O-CB 3.42Å; G220-N223 VanDerWaalsContact O-CG 3.23Å; G220-N223 PolarHBondContact O-N 2.96Å; G220-N223 PolarHBondContact O-ND2 3.36Å; D221-N223 VanDerWaalsContact C-N 3.29Å; D221-N223 PolarHBondContact O-N 2.8Å; N223-S227 VanDerWaalsContact O-CB 3.28Å; N223-S227 WeakPolarHBondContact O-CB 3.37Å; N223-S227 PolarHBondContact O-N 3.35Å; N223-S227 PolarHBondContact O-OG 3.21Å
224H91.9Very high90.2Very high137 Ų13755.9 Ų55.963%0.63428%0.281SS*.Hα-helixtrans-70.3-47.3-179.8-173.162.9000112.5K222 V226 S227 M228K222-H224 PolarHBondContact O-N 3.34Å; K222-H224 VanDerWaalsContact O-N 3.1Å; H224-V226 PolarHBondContact O-N 3.11Å; H224-S227 PolarHBondContact O-N 3.09Å; H224-M228 WeakPolarHBondContact O-CG 3.35Å; H224-M228 PolarHBondContact O-N 3.25Å
225E90.9Very high90.1Very high88 Ų8860.3 Ų60.341%0.41130%0.302SS..Hα-helixtrans-57.6-48.1177.9-60.7177.8175.300111.4K222 S227 M228 T229 H263K222-E225 WeakPolarHBondContact CD-OE2 3.44Å; K222-E225 WeakPolarHBondContact CE-OE2 3.4Å; K222-E225 WeakPolarHBondContact CG-OE2 3.26Å; K222-E225 IonicContact NZ-OE1 3.38Å; K222-E225 IonicContact NZ-OE2 3.1Å; K222-E225 PolarHBondContact NZ-OE2 3.34Å; K222-E225 PolarHBondContact O-N 3.22Å; K222-E225 VanDerWaalsContact O-N 3.13Å; E225-S227 PolarHBondContact O-N 3.47Å; E225-M228 PolarHBondContact O-N 3.12Å; E225-T229 WeakPolarHBondContact O-CB 3.37Å; E225-T229 PolarHBondContact O-N 3.23Å; E225-T229 PolarHBondContact O-OG1 3.03Å; E225-H263 IonicContact OE2-ND1 3.59Å
226V92.6Very high89.9Confident0 Ų054 Ų540%027%0.272CS..Hα-helixtrans-62.3-43.2177.11780000111.1F219 K222 H224 T229 A230 A259 H263 F265F219-V226 HydrophobicContact CB-CG2 4.4Å; F219-V226 HydrophobicContact CD1-CG1 4.46Å; F219-V226 HydrophobicContact CD2-CB 4.32Å; F219-V226 HydrophobicContact CD2-CG1 3.92Å; F219-V226 HydrophobicContact CE1-CG1 4.38Å; F219-V226 HydrophobicContact CE2-CG1 3.8Å; F219-V226 HydrophobicContact CG-CB 4.48Å; F219-V226 HydrophobicContact CG-CG1 4.24Å; F219-V226 HydrophobicContact CG-CG2 4.42Å; F219-V226 HydrophobicContact CZ-CG1 4.05Å; K222-V226 WeakPolarHBondContact O-CG2 3.48Å; K222-V226 PolarHBondContact O-N 3.21Å; H224-V226 PolarHBondContact O-N 3.11Å; V226-T229 PolarHBondContact O-N 3.08Å; V226-A230 WeakPolarHBondContact O-CB 3.41Å; V226-A230 PolarHBondContact O-N 2.82Å; V226-A259 HydrophobicContact CG1-CB 4.11Å; V226-H263 HydrophobicContact CG2-CB 3.68Å; V226-F265 HydrophobicContact CG2-CD2 4.08Å; V226-F265 HydrophobicContact CG2-CE2 4.2Å
227S92.9Very high89.8Confident13 Ų1350.1 Ų50.19%0.09125%0.253CS..Hα-helixtrans-64.1-43.5178.9-61.90000112.4A214 N223 H224 E225 A230 L231A214-S227 WeakPolarHBondContact CB-OG 3.2Å; N223-S227 VanDerWaalsContact O-CB 3.28Å; N223-S227 WeakPolarHBondContact O-CB 3.37Å; N223-S227 PolarHBondContact O-N 3.35Å; N223-S227 PolarHBondContact O-OG 3.21Å; H224-S227 PolarHBondContact O-N 3.09Å; E225-S227 PolarHBondContact O-N 3.47Å; S227-A230 PolarHBondContact O-N 3.47Å; S227-L231 WeakPolarHBondContact O-CB 3.46Å; S227-L231 WeakPolarHBondContact O-CD1 3.28Å; S227-L231 VanDerWaalsContact O-CG 3.28Å; S227-L231 WeakPolarHBondContact O-CG 3.46Å; S227-L231 PolarHBondContact O-N 3.11Å
228M91.6Very high89.7Confident99 Ų9952.3 Ų52.349%0.48826%0.262SS..Hα-helixtrans-67.5-39178.5-70.4-57.2-63.200111.9H224 E225 L231 R232H224-M228 WeakPolarHBondContact O-CG 3.35Å; H224-M228 PolarHBondContact O-N 3.25Å; E225-M228 PolarHBondContact O-N 3.12Å; M228-L231 WeakPolarHBondContact O-CB 3.45Å; M228-L231 PolarHBondContact O-N 3.42Å; M228-L231 HydrophobicContact SD-CD1 3.85Å; M228-R232 PolarHBondContact O-N 3.5Å
229T91.5Very high89.7Confident4 Ų450.3 Ų50.33%0.02525%0.248CC..Hα-helixtrans-64.5-45.1174.8-49.90000111E225 V226 L231 R232 L233 A259 M262 H263 M304E225-T229 WeakPolarHBondContact O-CB 3.37Å; E225-T229 PolarHBondContact O-N 3.23Å; E225-T229 PolarHBondContact O-OG1 3.03Å; V226-T229 PolarHBondContact O-N 3.08Å; T229-L231 VanDerWaalsContact C-N 3.35Å; T229-L231 PolarHBondContact O-N 2.97Å; T229-R232 PolarHBondContact O-N 3Å; T229-L233 HydrophobicContact CG2-CD1 4.48Å; T229-L233 WeakPolarHBondContact O-CG 3.19Å; T229-L233 PolarHBondContact O-N 3.06Å; T229-A259 HydrophobicContact CG2-CB 4.13Å; T229-M262 HydrophobicContact CG2-CE 3.83Å; T229-M262 HydrophobicContact CG2-SD 3.76Å; T229-H263 PolarHBondContact OG1-NE2 3.03Å; T229-M304 HydrophobicContact CG2-SD 4.21Å
230A94.1Very high89.7Confident0 Ų050.2 Ų50.20%025%0.247CC..Hα-helixtrans-64.3-36.117500000112.8I210 V226 S227 L233 V234 L256 A259I210-A230 HydrophobicContact CG2-CB 3.7Å; V226-A230 WeakPolarHBondContact O-CB 3.41Å; V226-A230 PolarHBondContact O-N 2.82Å; S227-A230 PolarHBondContact O-N 3.47Å; A230-L233 PolarHBondContact O-N 3.35Å; A230-V234 WeakPolarHBondContact O-CB 3.35Å; A230-V234 WeakPolarHBondContact O-CG2 3.38Å; A230-V234 PolarHBondContact O-N 2.92Å; A230-L256 HydrophobicContact CB-CD2 3.83Å; A230-L256 HydrophobicContact CB-CG 4.15Å; A230-A259 HydrophobicContact CB-CB 3.8Å
231L92.1Very high89.8Confident30 Ų3054 Ų5416%0.15725%0.248CC..Hα-helixtrans-60.7-47.5172.5-82161.1000111.6C207 I210 S227 M228 T229 V234 Q235C207-L231 HydrophobicContact CB-CD2 3.58Å; C207-L231 WeakPolarHBondContact O-CD2 3.45Å; I210-L231 HydrophobicContact CB-CD2 4.36Å; I210-L231 HydrophobicContact CB-CG 4.31Å; I210-L231 HydrophobicContact CD1-CD2 3.95Å; I210-L231 HydrophobicContact CD1-CG 4.09Å; I210-L231 HydrophobicContact CG2-CG 4.27Å; S227-L231 WeakPolarHBondContact O-CB 3.46Å; S227-L231 WeakPolarHBondContact O-CD1 3.28Å; S227-L231 VanDerWaalsContact O-CG 3.28Å; S227-L231 WeakPolarHBondContact O-CG 3.46Å; S227-L231 PolarHBondContact O-N 3.11Å; M228-L231 WeakPolarHBondContact O-CB 3.45Å; M228-L231 PolarHBondContact O-N 3.42Å; M228-L231 HydrophobicContact SD-CD1 3.85Å; T229-L231 VanDerWaalsContact C-N 3.35Å; T229-L231 PolarHBondContact O-N 2.97Å; L231-V234 PolarHBondContact O-N 2.71Å; L231-Q235 VanDerWaalsContact O-CG 3.29Å; L231-Q235 WeakPolarHBondContact O-CG 3.43Å; L231-Q235 PolarHBondContact O-N 3.06Å
232R90.8Very high89.8Confident57 Ų5745.9 Ų45.922%0.21520%0.204CC..Hα-helixtrans-61.6-45.9176.5-168.6180-170.7164.5-5.6111.7M228 T229 V234 Q235 R236 F303 M304 D307M228-R232 PolarHBondContact O-N 3.5Å; T229-R232 PolarHBondContact O-N 3Å; R232-V234 PolarHBondContact O-N 3.05Å; R232-Q235 PolarHBondContact O-N 3.08Å; R232-R236 PolarHBondContact O-N 3.38Å; R232-F303 HydrophobicContact CB-CZ 4.38Å; R232-F303 HydrophobicContact CG-CE1 4.31Å; R232-F303 HydrophobicContact CG-CZ 4Å; R232-F303 PolarHBondContact NE-O 3.45Å; R232-F303 PolarHBondContact NH1-O 3.44Å; R232-F303 PolarHBondContact NH2-O 2.9Å; R232-M304 PolarHBondContact NH1-O 3.34Å; R232-D307 IonicContact CZ-OD1 3.26Å; R232-D307 VanDerWaalsContact CZ-OD1 3.26Å; R232-D307 IonicContact NE-OD1 3.97Å; R232-D307 PolarHBondContact NE-OD1 3.03Å; R232-D307 IonicContact NH2-OD1 2.72Å; R232-D307 PolarHBondContact NH2-OD1 3.37Å
233L90.7Very high89.7Confident5 Ų544 Ų443%0.02620%0.197CC..Hα-helixtrans-56.4-48.2174.6-76.4165.7000111.7T229 A230 Q235 R236 M237 A255 V258 A259 M262 F290 F303T229-L233 HydrophobicContact CG2-CD1 4.48Å; T229-L233 WeakPolarHBondContact O-CG 3.19Å; T229-L233 PolarHBondContact O-N 3.06Å; A230-L233 PolarHBondContact O-N 3.35Å; L233-Q235 VanDerWaalsContact C-N 3.34Å; L233-Q235 PolarHBondContact O-N 2.93Å; L233-R236 PolarHBondContact O-N 2.75Å; L233-M237 VanDerWaalsContact O-CG 3.27Å; L233-M237 WeakPolarHBondContact O-CG 3.47Å; L233-M237 PolarHBondContact O-N 2.96Å; L233-A255 HydrophobicContact CB-CB 3.97Å; L233-V258 HydrophobicContact CD1-CB 4.15Å; L233-V258 HydrophobicContact CD1-CG1 3.88Å; L233-A259 HydrophobicContact CD1-CB 4.18Å; L233-M262 HydrophobicContact CD1-SD 4.19Å; L233-F290 HydrophobicContact CD2-CE2 4.33Å; L233-F290 HydrophobicContact CD2-CZ 3.75Å; L233-F303 HydrophobicContact CB-CZ 4.46Å; L233-F303 HydrophobicContact CD2-CE1 3.89Å; L233-F303 HydrophobicContact CD2-CE2 3.87Å; L233-F303 HydrophobicContact CD2-CZ 3.42Å; L233-F303 VanDerWaalsContact CD2-CZ 3.42Å; L233-F303 HydrophobicContact CG-CE1 3.93Å; L233-F303 HydrophobicContact CG-CZ 3.67Å
234V91.1Very high89.4Confident2 Ų244.9 Ų44.91%0.01220%0.204CC..Hα-helixtrans-66.9-32.7178.6167.90000112.7P206 I210 A230 L231 R232 K238 A255P206-V234 HydrophobicContact CB-CG1 3.58Å; P206-V234 HydrophobicContact CG-CG1 3.42Å; P206-V234 VanDerWaalsContact CG-CG1 3.42Å; I210-V234 HydrophobicContact CD1-CB 3.72Å; I210-V234 HydrophobicContact CD1-CG1 4.16Å; I210-V234 HydrophobicContact CD1-CG2 3.52Å; A230-V234 WeakPolarHBondContact O-CB 3.35Å; A230-V234 WeakPolarHBondContact O-CG2 3.38Å; A230-V234 PolarHBondContact O-N 2.92Å; L231-V234 PolarHBondContact O-N 2.71Å; R232-V234 PolarHBondContact O-N 3.05Å; V234-K238 WeakPolarHBondContact O-CB 3.46Å; V234-K238 PolarHBondContact O-N 3.25Å; V234-A255 HydrophobicContact CG2-CB 3.38Å
235Q89.3Confident89Confident94 Ų9442.6 Ų42.644%0.43922%0.218SC..Hα-helixtrans-66.7-39.9172.3-73.4170.8-6.700111.7L231 R232 L233 K238 R239L231-Q235 VanDerWaalsContact O-CG 3.29Å; L231-Q235 WeakPolarHBondContact O-CG 3.43Å; L231-Q235 PolarHBondContact O-N 3.06Å; R232-Q235 PolarHBondContact O-N 3.08Å; L233-Q235 VanDerWaalsContact C-N 3.34Å; L233-Q235 PolarHBondContact O-N 2.93Å; Q235-K238 VanDerWaalsContact O-CB 3.3Å; Q235-K238 WeakPolarHBondContact O-CB 3.33Å; Q235-K238 PolarHBondContact O-N 3.49Å; Q235-K238 VanDerWaalsContact O-N 3.16Å; Q235-R239 PolarHBondContact O-N 2.92Å; Q235-R239 VanDerWaalsContact O-N 3.17Å
236R87.3Confident88.8Confident10 Ų1041.1 Ų41.14%0.03821%0.208CC..Hα-helixtrans-65-48.4173.1-175.161.5-177143.730.9111.3R232 L233 K238 R239 D240 T295 L308 Q310R232-R236 PolarHBondContact O-N 3.38Å; L233-R236 PolarHBondContact O-N 2.75Å; R236-K238 PolarHBondContact O-N 3.16Å; R236-R239 WeakPolarHBondContact O-CA 3.32Å; R236-R239 WeakPolarHBondContact O-CB 3.43Å; R236-R239 PolarHBondContact O-N 2.93Å; R236-D240 IonicContact CZ-OD1 3.86Å; R236-D240 IonicContact CZ-OD2 2.74Å; R236-D240 IonicContact NE-OD1 3.78Å; R236-D240 IonicContact NE-OD2 3.83Å; R236-D240 IonicContact NH1-OD1 3.18Å; R236-D240 IonicContact NH2-OD1 2.97Å; R236-D240 PolarHBondContact NH2-OD1 3.16Å; R236-D240 IonicContact NH2-OD2 3Å; R236-D240 PolarHBondContact O-N 3.22Å; R236-T295 HydrophobicContact CG-CG2 3.7Å; R236-T295 WeakPolarHBondContact CG-OG1 3.43Å; R236-T295 PolarHBondContact NE-OG1 2.9Å; R236-T295 PolarHBondContact NH2-OG1 3.24Å; R236-L308 PolarHBondContact NH1-O 3.42Å; R236-Q310 PolarHBondContact NH1-O 3.35Å; R236-Q310 PolarHBondContact NH2-O 3.43Å
237M87.6Confident88.5Confident4 Ų447.5 Ų47.52%0.0223%0.232CC..Hα-helixtrans-57.3-22170.3-65.1177.1131.300114L233 M242 L251 A254 A255 F290L233-M237 VanDerWaalsContact O-CG 3.27Å; L233-M237 WeakPolarHBondContact O-CG 3.47Å; L233-M237 PolarHBondContact O-N 2.96Å; M237-M242 HydrophobicContact CB-CE 4Å; M237-M242 HydrophobicContact CE-CE 3.72Å; M237-M242 HydrophobicContact CG-CE 3.61Å; M237-M242 PolarHBondContact O-N 3.37Å; M237-M242 HydrophobicContact SD-CE 4.41Å; M237-L251 HydrophobicContact CE-CD2 3.87Å; M237-L251 HydrophobicContact SD-CB 4.41Å; M237-L251 HydrophobicContact SD-CD2 3.96Å; M237-A254 HydrophobicContact CE-CB 4.4Å; M237-A255 HydrophobicContact SD-CB 4.29Å; M237-F290 HydrophobicContact CE-CB 3.95Å; M237-F290 HydrophobicContact CE-CD2 3.81Å; M237-F290 HydrophobicContact CE-CG 4Å; M237-F290 HydrophobicContact CG-CD2 4.15Å; M237-F290 HydrophobicContact CG-CE2 4.39Å
238K87.2Confident88.4Confident56 Ų5648.9 Ų48.924%0.24324%0.241CC..Hα-helixtrans-75.9-41.9173.8-168.4-175.2172.6178.90111D205 V234 Q235 R236 H243D205-K238 IonicContact OD1-NZ 3.6Å; D205-K238 PolarHBondContact OD1-NZ 3.38Å; V234-K238 WeakPolarHBondContact O-CB 3.46Å; V234-K238 PolarHBondContact O-N 3.25Å; Q235-K238 VanDerWaalsContact O-CB 3.3Å; Q235-K238 WeakPolarHBondContact O-CB 3.33Å; Q235-K238 PolarHBondContact O-N 3.49Å; Q235-K238 VanDerWaalsContact O-N 3.16Å; R236-K238 PolarHBondContact O-N 3.16Å; K238-H243 VanDerWaalsContact CG-CE1 3.43Å; K238-H243 WeakPolarHBondContact CG-CE1 3.36Å; K238-H243 PolarHBondContact O-CE1 3.4Å; K238-H243 VanDerWaalsContact O-CE1 3.31Å; K238-H243 PolarHBondContact O-ND1 3.08Å; K238-H243 VanDerWaalsContact O-ND1 3.16Å
239R85.6Confident88.3Confident110 Ų11044.4 Ų44.442%0.41522%0.219SC..Hα-helixtrans-66.1-41.9173.9-65.2177.8-179.6135.6-7.1111.4Q235 R236 W241 D307Q235-R239 PolarHBondContact O-N 2.92Å; Q235-R239 VanDerWaalsContact O-N 3.17Å; R236-R239 WeakPolarHBondContact O-CA 3.32Å; R236-R239 WeakPolarHBondContact O-CB 3.43Å; R236-R239 PolarHBondContact O-N 2.93Å; R239-W241 PolarHBondContact O-N 2.93Å; R239-D307 IonicContact CZ-OD2 3.78Å; R239-D307 IonicContact NH1-OD2 2.68Å; R239-D307 PolarHBondContact NH1-OD2 3.13Å; R239-D307 IonicContact NH2-OD2 3.15Å
240D86.8Confident88.3Confident0 Ų044.3 Ų44.30%022%0.219CC..THydrogen-bonded Turntrans-73.222.9177.6-57.1-25.4000113.6R236 M242 T295 C312R236-D240 IonicContact CZ-OD1 3.86Å; R236-D240 IonicContact CZ-OD2 2.74Å; R236-D240 IonicContact NE-OD1 3.78Å; R236-D240 IonicContact NE-OD2 3.83Å; R236-D240 IonicContact NH1-OD1 3.18Å; R236-D240 IonicContact NH2-OD1 2.97Å; R236-D240 PolarHBondContact NH2-OD1 3.16Å; R236-D240 IonicContact NH2-OD2 3Å; R236-D240 PolarHBondContact O-N 3.22Å; D240-M242 HydrophobicContact CB-CG 4.4Å; D240-M242 VanDerWaalsContact O-CG 3.27Å; D240-M242 WeakPolarHBondContact O-CG 3.4Å; D240-M242 PolarHBondContact O-N 3.08Å; D240-T295 PolarHBondContact OD2-OG1 2.86Å; D240-C312 CarbonylContact C-O 3.6Å; D240-C312 HydrophobicContact CB-CB 4.23Å
241W86.3Confident88.2Confident122 Ų12244.4 Ų44.446%0.46222%0.22SC..THydrogen-bonded Turntrans50.33.1179.3-71.986.9000118.4R239 H243 T244 E311 P314R239-W241 PolarHBondContact O-N 2.93Å; W241-H243 PolarHBondContact O-N 2.84Å; W241-T244 PolarHBondContact O-N 2.74Å; W241-E311 PolarHBondContact NE1-OE2 2.89Å; W241-P314 HydrophobicContact CB-CB 4.07Å
242M87Confident88.2Confident3 Ų343 Ų432%0.01521%0.212CC..THydrogen-bonded Turntrans-65.9-13.4-173.8-66.3-149.9-70.300115M237 D240 R246 L251 E289 F290 T293 P315M237-M242 HydrophobicContact CB-CE 4Å; M237-M242 HydrophobicContact CE-CE 3.72Å; M237-M242 HydrophobicContact CG-CE 3.61Å; M237-M242 PolarHBondContact O-N 3.37Å; M237-M242 HydrophobicContact SD-CE 4.41Å; D240-M242 HydrophobicContact CB-CG 4.4Å; D240-M242 VanDerWaalsContact O-CG 3.27Å; D240-M242 WeakPolarHBondContact O-CG 3.4Å; D240-M242 PolarHBondContact O-N 3.08Å; M242-R246 WeakPolarHBondContact O-CD 3.33Å; M242-R246 PolarHBondContact O-NH1 3.35Å; M242-L251 HydrophobicContact CB-CD2 4.44Å; M242-E289 HydrophobicContact SD-CB 3.96Å; M242-E289 VanDerWaalsContact SD-O 3.39Å; M242-F290 HydrophobicContact CE-CB 4.14Å; M242-F290 HydrophobicContact CE-CD2 3.95Å; M242-T293 HydrophobicContact CE-CG2 4.12Å; M242-T293 HydrophobicContact SD-CG2 4.07Å; M242-P315 HydrophobicContact CG-CG 4.37Å
243H85.9Confident88.3Confident47 Ų4740.2 Ų40.222%0.21820%0.202CC..THydrogen-bonded Turntrans-90.1-22.5-177.279.9-72.3000114.8K238 W241 R246 L251K238-H243 VanDerWaalsContact CG-CE1 3.43Å; K238-H243 WeakPolarHBondContact CG-CE1 3.36Å; K238-H243 PolarHBondContact O-CE1 3.4Å; K238-H243 VanDerWaalsContact O-CE1 3.31Å; K238-H243 PolarHBondContact O-ND1 3.08Å; K238-H243 VanDerWaalsContact O-ND1 3.16Å; W241-H243 PolarHBondContact O-N 2.84Å; H243-R246 PolarHBondContact O-N 2.86Å; H243-L251 HydrophobicContact CB-CD1 3.78Å
244T85.1Confident88.4Confident62 Ų6240 Ų4038%0.3820%0.201SC..THydrogen-bonded Turntrans-69137.1-172.1-63.70000111.5W241 R246W241-T244 PolarHBondContact O-N 2.74Å; T244-R246 WeakPolarHBondContact O-CD 3.4Å; T244-R246 WeakPolarHBondContact O-CG 3.33Å; T244-R246 PolarHBondContact O-N 3.49Å; T244-R246 VanDerWaalsContact O-N 3.08Å
245G82.1Confident88.5Confident89 Ų8940 Ų4092%0.91820%0.201SC*.THydrogen-bonded Turntrans67.42.8-178.900000115.7
246R86.7Confident88.7Confident57 Ų5735.6 Ų35.622%0.21518%0.181CC..SBendtrans-117.5165.4-168.9-68.4154.7164.8-134.1-17111.7M242 H243 T244 R286 E289M242-R246 WeakPolarHBondContact O-CD 3.33Å; M242-R246 PolarHBondContact O-NH1 3.35Å; H243-R246 PolarHBondContact O-N 2.86Å; T244-R246 WeakPolarHBondContact O-CD 3.4Å; T244-R246 WeakPolarHBondContact O-CG 3.33Å; T244-R246 PolarHBondContact O-N 3.49Å; T244-R246 VanDerWaalsContact O-N 3.08Å; R246-R286 VanDerWaalsContact NH1-NH1 3.12Å; R246-E289 IonicContact CZ-OE1 2.65Å; R246-E289 IonicContact CZ-OE2 2.72Å; R246-E289 IonicContact NH1-OE1 2.86Å; R246-E289 PolarHBondContact NH1-OE1 2.84Å; R246-E289 IonicContact NH1-OE2 2.68Å; R246-E289 PolarHBondContact NH1-OE2 3.43Å; R246-E289 IonicContact NH2-OE1 3.35Å; R246-E289 PolarHBondContact NH2-OE1 2.84Å; R246-E289 IonicContact NH2-OE2 2.68Å; R246-E289 PolarHBondContact NH2-OE2 3.17Å
247R87.8Confident89Confident134 Ų13435.3 Ų35.351%0.50618%0.179SC..  trans-78.7122177-71.6-171.3177.4-143.12.9110.4S249 G250R247-S249 VanDerWaalsContact C-N 3.28Å; R247-S249 PolarHBondContact O-N 3.1Å; R247-G250 PolarHBondContact O-N 3.45Å
248P89.3Confident89.2Confident41 Ų4136.5 Ų36.527%0.26619%0.187SC..Hα-helixtrans-66.5-27.7-175.824.7-33.8000113.4P206 Y209 G250 L251 C252P206-P248 HydrophobicContact CB-CB 3.77Å; Y209-P248 HydrophobicContact CE2-CB 4.33Å; Y209-P248 HydrophobicContact CE2-CG 4.03Å; P248-G250 VanDerWaalsContact C-N 3.34Å; P248-G250 PolarHBondContact O-N 3.18Å; P248-L251 PolarHBondContact O-N 2.96Å; P248-C252 PolarHBondContact O-N 2.95Å; P248-C252 PolarHBondContact O-SG 3.38Å
249S90.5Very high89.5Confident5 Ų533.8 Ų33.84%0.03518%0.175CC..Hα-helixtrans-56.9-44.3-179.953.80000112.5R247 L251 C252 G253 V276 V278R247-S249 VanDerWaalsContact C-N 3.28Å; R247-S249 PolarHBondContact O-N 3.1Å; S249-L251 VanDerWaalsContact C-N 3.31Å; S249-L251 PolarHBondContact O-N 3.28Å; S249-C252 PolarHBondContact O-N 2.89Å; S249-G253 PolarHBondContact O-N 3.5Å; S249-V276 WeakPolarHBondContact O-CG1 3.41Å; S249-V278 VanDerWaalsContact OG-CG2 3.25Å; S249-V278 WeakPolarHBondContact OG-CG2 3.46Å
250G91.6Very high89.8Confident2 Ų228.6 Ų28.62%0.02116%0.156CC..Hα-helixtrans-62.5-34.9-18000000113.8R247 P248 A254R247-G250 PolarHBondContact O-N 3.45Å; P248-G250 VanDerWaalsContact C-N 3.34Å; P248-G250 PolarHBondContact O-N 3.18Å; G250-A254 PolarHBondContact O-N 2.91Å; G250-A254 VanDerWaalsContact O-N 3.11Å
251L91.6Very high90Very high2 Ų232.4 Ų32.41%0.0117%0.17CC..Hα-helixtrans-73-42.5175.3-70.8163.8000111.5M237 M242 H243 P248 S249 G253 A254 A255 R286M237-L251 HydrophobicContact CE-CD2 3.87Å; M237-L251 HydrophobicContact SD-CB 4.41Å; M237-L251 HydrophobicContact SD-CD2 3.96Å; M242-L251 HydrophobicContact CB-CD2 4.44Å; H243-L251 HydrophobicContact CB-CD1 3.78Å; P248-L251 PolarHBondContact O-N 2.96Å; S249-L251 VanDerWaalsContact C-N 3.31Å; S249-L251 PolarHBondContact O-N 3.28Å; L251-G253 VanDerWaalsContact C-N 3.28Å; L251-G253 PolarHBondContact O-N 3.35Å; L251-A254 PolarHBondContact O-N 3.3Å; L251-A255 WeakPolarHBondContact O-CB 3.44Å; L251-A255 PolarHBondContact O-N 3.05Å; L251-R286 HydrophobicContact CD2-CB 4.46Å; L251-R286 HydrophobicContact CD2-CG 4.36Å
252C92.4Very high90.1Very high0 Ų028.3 Ų28.30%016%0.157CC..Hα-helixtrans-59.1-41.8174.8-58.80000111.3P206 I210 F213 P248 S249 L256P206-C252 PolarHBondContact O-SG 3.34Å; I210-C252 HydrophobicContact CG1-CB 4.34Å; F213-C252 HydrophobicContact CD2-CB 4.03Å; F213-C252 HydrophobicContact CE2-CB 3.99Å; P248-C252 PolarHBondContact O-N 2.95Å; P248-C252 PolarHBondContact O-SG 3.38Å; S249-C252 PolarHBondContact O-N 2.89Å; C252-L256 VanDerWaalsContact O-CB 3.27Å; C252-L256 WeakPolarHBondContact O-CB 3.19Å; C252-L256 WeakPolarHBondContact O-CD1 3.48Å; C252-L256 VanDerWaalsContact O-CG 3.28Å; C252-L256 WeakPolarHBondContact O-CG 3.33Å; C252-L256 PolarHBondContact O-N 3.03Å
253G93Very high90.2Very high0 Ų030.3 Ų30.30%017%0.166CC..Hα-helixtrans-65.6-39.3175.800000113.5S249 L251 L257S249-G253 PolarHBondContact O-N 3.5Å; L251-G253 VanDerWaalsContact C-N 3.28Å; L251-G253 PolarHBondContact O-N 3.35Å; G253-L257 WeakPolarHBondContact O-CB 3.29Å; G253-L257 PolarHBondContact O-N 3.1Å
254A93Very high90.4Very high1 Ų137.3 Ų37.31%0.00820%0.196CC..Hα-helixtrans-66-49.517700000110.9M237 G250 L251 L256 L257 V258 L283 R286 L287M237-A254 HydrophobicContact CE-CB 4.4Å; G250-A254 PolarHBondContact O-N 2.91Å; G250-A254 VanDerWaalsContact O-N 3.11Å; L251-A254 PolarHBondContact O-N 3.3Å; A254-L256 PolarHBondContact O-N 3.38Å; A254-L257 PolarHBondContact O-N 3.07Å; A254-L257 VanDerWaalsContact O-N 3.15Å; A254-V258 WeakPolarHBondContact O-CG2 3.5Å; A254-V258 PolarHBondContact O-N 3.33Å; A254-L283 HydrophobicContact CB-CD1 4.1Å; A254-R286 HydrophobicContact CB-CB 4Å; A254-L287 HydrophobicContact CB-CD2 3.93Å; A254-L287 HydrophobicContact CB-CG 4.23Å
255A93.4Very high90.6Very high2 Ų236.8 Ų36.82%0.01719%0.188CC..Hα-helixtrans-62.6-38.6177.400000113L233 V234 M237 L251 V258 A259L233-A255 HydrophobicContact CB-CB 3.97Å; V234-A255 HydrophobicContact CG2-CB 3.38Å; M237-A255 HydrophobicContact SD-CB 4.29Å; L251-A255 WeakPolarHBondContact O-CB 3.44Å; L251-A255 PolarHBondContact O-N 3.05Å; A255-V258 PolarHBondContact O-N 3.45Å; A255-A259 VanDerWaalsContact O-CB 3.25Å; A255-A259 WeakPolarHBondContact O-CB 3.43Å; A255-A259 PolarHBondContact O-N 3.36Å
256L93.4Very high90.8Very high1 Ų143.7 Ų43.71%0.00519%0.186CC..Hα-helixtrans-65.5-36.6173.7-81.2165.7000112.6I210 F213 A214 L217 F219 A230 C252 A254 A260I210-L256 HydrophobicContact CG2-CD2 3.96Å; I210-L256 HydrophobicContact CG2-CG 4.3Å; F213-L256 HydrophobicContact CB-CD1 3.5Å; F213-L256 VanDerWaalsContact CB-CD1 3.5Å; F213-L256 HydrophobicContact CD2-CD1 4.23Å; F213-L256 HydrophobicContact CG-CD1 4.36Å; A214-L256 HydrophobicContact CB-CD2 4.09Å; L217-L256 HydrophobicContact CD1-CD1 4.36Å; F219-L256 HydrophobicContact CE2-CD2 4.27Å; A230-L256 HydrophobicContact CB-CD2 3.83Å; A230-L256 HydrophobicContact CB-CG 4.15Å; C252-L256 VanDerWaalsContact O-CB 3.27Å; C252-L256 WeakPolarHBondContact O-CB 3.19Å; C252-L256 WeakPolarHBondContact O-CD1 3.48Å; C252-L256 VanDerWaalsContact O-CG 3.28Å; C252-L256 WeakPolarHBondContact O-CG 3.33Å; C252-L256 PolarHBondContact O-N 3.03Å; A254-L256 PolarHBondContact O-N 3.38Å; L256-A260 WeakPolarHBondContact O-CB 3.29Å; L256-A260 PolarHBondContact O-N 3.43Å
257L93Very high90.8Very high3 Ų344.8 Ų44.82%0.01619%0.191CC..Hα-helixtrans-68.3-40.4175.9-173.969.9000111.7G253 A254 R261 V269 V272 L283 L287G253-L257 WeakPolarHBondContact O-CB 3.29Å; G253-L257 PolarHBondContact O-N 3.1Å; A254-L257 PolarHBondContact O-N 3.07Å; A254-L257 VanDerWaalsContact O-N 3.15Å; L257-R261 WeakPolarHBondContact O-CG 3.16Å; L257-R261 PolarHBondContact O-N 3.49Å; L257-V269 HydrophobicContact CD2-CG2 4.02Å; L257-V272 HydrophobicContact CD1-CG2 4.19Å; L257-L283 HydrophobicContact CD2-CD2 4.38Å; L257-L287 HydrophobicContact CD2-CD1 3.88Å
258V91.9Very high90.9Very high29 Ų2940.2 Ų40.218%0.17618%0.18CC..Hα-helixtrans-66.3-51.2175.1174.90000110.6L233 A254 A255 A260 R261 M262 L287L233-V258 HydrophobicContact CD1-CB 4.15Å; L233-V258 HydrophobicContact CD1-CG1 3.88Å; A254-V258 WeakPolarHBondContact O-CG2 3.5Å; A254-V258 PolarHBondContact O-N 3.33Å; A255-V258 PolarHBondContact O-N 3.45Å; V258-A260 VanDerWaalsContact C-N 3.33Å; V258-A260 PolarHBondContact O-N 2.76Å; V258-R261 WeakPolarHBondContact O-CB 3.27Å; V258-R261 PolarHBondContact O-N 2.58Å; V258-M262 HydrophobicContact CG1-CG 4.49Å; V258-M262 HydrophobicContact CG1-SD 4.08Å; V258-M262 WeakPolarHBondContact O-CG 3.46Å; V258-M262 PolarHBondContact O-N 2.68Å; V258-L287 HydrophobicContact CG2-CD2 3.87Å
259A92.6Very high91.1Very high0 Ų039.5 Ų39.50%017%0.174CC..Hα-helixtrans-59.6-40.3177.900000112.7V226 T229 A230 L233 A255 R261 M262 H263V226-A259 HydrophobicContact CG1-CB 4.11Å; T229-A259 HydrophobicContact CG2-CB 4.13Å; A230-A259 HydrophobicContact CB-CB 3.8Å; L233-A259 HydrophobicContact CD1-CB 4.18Å; A255-A259 VanDerWaalsContact O-CB 3.25Å; A255-A259 WeakPolarHBondContact O-CB 3.43Å; A255-A259 PolarHBondContact O-N 3.36Å; A259-R261 VanDerWaalsContact C-N 3.3Å; A259-R261 PolarHBondContact O-N 2.75Å; A259-M262 PolarHBondContact O-N 2.85Å; A259-H263 PolarHBondContact O-CD2 3.07Å; A259-H263 VanDerWaalsContact O-CD2 3.3Å; A259-H263 PolarHBondContact O-N 3.38Å; A259-H263 VanDerWaalsContact O-N 3.11Å
260A92.9Very high91.1Very high1 Ų147.1 Ų47.11%0.00821%0.207CC..Hα-helixtrans-59.1-42.7174.300000111.6F219 L256 V258 H263 K264 F265F219-A260 HydrophobicContact CD1-CB 4.43Å; F219-A260 HydrophobicContact CE1-CB 3.55Å; F219-A260 HydrophobicContact CZ-CB 4.01Å; L256-A260 WeakPolarHBondContact O-CB 3.29Å; L256-A260 PolarHBondContact O-N 3.43Å; V258-A260 VanDerWaalsContact C-N 3.33Å; V258-A260 PolarHBondContact O-N 2.76Å; A260-H263 CarbonylContact O-C 3.56Å; A260-H263 PolarHBondContact O-N 3.33Å; A260-K264 PolarHBondContact O-N 3.19Å; A260-F265 CarbonylContact C-O 3.4Å; A260-F265 HydrophobicContact CB-CB 4.26Å; A260-F265 WeakPolarHBondContact O-CA 3.02Å; A260-F265 WeakPolarHBondContact O-CB 3.27Å; A260-F265 PolarHBondContact O-N 3.45Å
261R89.9Confident91.1Very high80 Ų8050.9 Ų50.930%0.30223%0.227SC..Hα-helixtrans-65.4-44176.9-73.2170.1169.1-150.1-13.6112.6L257 V258 A259 H263 K264 L689L257-R261 WeakPolarHBondContact O-CG 3.16Å; L257-R261 PolarHBondContact O-N 3.49Å; V258-R261 WeakPolarHBondContact O-CB 3.27Å; V258-R261 PolarHBondContact O-N 2.58Å; A259-R261 VanDerWaalsContact C-N 3.3Å; A259-R261 PolarHBondContact O-N 2.75Å; R261-H263 VanDerWaalsContact C-N 3.25Å; R261-H263 PolarHBondContact O-N 3.4Å; R261-K264 PolarHBondContact O-N 3.47Å; R261-L689 VanDerWaalsContact CZ-O 3.26Å; R261-L689 VanDerWaalsContact NH1-C 3.29Å; R261-L689 VanDerWaalsContact NH1-CB 3.29Å; R261-L689 PolarHBondContact NH1-O 2.7Å; R261-L689 PolarHBondContact NH2-O 3.38Å
262M89Confident91.2Very high36 Ų3651 Ų5118%0.17723%0.227CC..Hα-helixtrans-55.6-42.5175.3-65.1167.277.700111.3T229 L233 V258 A259 K264 I300 F303T229-M262 HydrophobicContact CG2-CE 3.83Å; T229-M262 HydrophobicContact CG2-SD 3.76Å; L233-M262 HydrophobicContact CD1-SD 4.19Å; V258-M262 HydrophobicContact CG1-CG 4.49Å; V258-M262 HydrophobicContact CG1-SD 4.08Å; V258-M262 WeakPolarHBondContact O-CG 3.46Å; V258-M262 PolarHBondContact O-N 2.68Å; A259-M262 PolarHBondContact O-N 2.85Å; M262-K264 PolarHBondContact O-N 3.1Å; M262-I300 HydrophobicContact CE-CG2 3.94Å; M262-F303 HydrophobicContact CE-CD1 3.92Å; M262-F303 HydrophobicContact CE-CE1 4.45Å
263H89.8Confident91.2Very high44 Ų4452.9 Ų52.920%0.20424%0.237CC..THydrogen-bonded Turntrans-84.716.8177.1-72.1-73.4000114.5E225 V226 T229 A259 A260 R261 F265E225-H263 IonicContact OE2-ND1 3.59Å; V226-H263 HydrophobicContact CG2-CB 3.68Å; T229-H263 PolarHBondContact OG1-NE2 3.03Å; A259-H263 PolarHBondContact O-CD2 3.07Å; A259-H263 VanDerWaalsContact O-CD2 3.3Å; A259-H263 PolarHBondContact O-N 3.38Å; A259-H263 VanDerWaalsContact O-N 3.11Å; A260-H263 CarbonylContact O-C 3.56Å; A260-H263 PolarHBondContact O-N 3.33Å; R261-H263 VanDerWaalsContact C-N 3.25Å; R261-H263 PolarHBondContact O-N 3.4Å; H263-F265 HydrophobicContact CB-CD2 3.88Å; H263-F265 HydrophobicContact CB-CE2 4.15Å; H263-F265 VanDerWaalsContact O-CD2 3.29Å; H263-F265 WeakPolarHBondContact O-CD2 3.4Å; H263-F265 PolarHBondContact O-N 3.37Å
264K89.6Confident91Very high194 Ų19455.5 Ų55.584%0.84326%0.264SS*.THydrogen-bonded Turntrans64.416.4176.8-53.1-178.6-179.8-179.30115.4A260 R261 M262A260-K264 PolarHBondContact O-N 3.19Å; R261-K264 PolarHBondContact O-N 3.47Å; M262-K264 PolarHBondContact O-N 3.1Å
265F89.1Confident91Very high51 Ų5156.3 Ų56.322%0.22427%0.268CS..  trans-89.5105172.3-66.3-78.6000112.3F219 K222 V226 A260 H263 R267F219-F265 HydrophobicContact CD1-CB 4.1Å; F219-F265 HydrophobicContact CD1-CD2 4.41Å; F219-F265 HydrophobicContact CD1-CG 4.14Å; F219-F265 HydrophobicContact CE1-CB 4.47Å; F219-F265 WeakPolarHBondContact O-CZ 3.34Å; K222-F265 HydrophobicContact CB-CE2 3.7Å; K222-F265 HydrophobicContact CB-CZ 3.93Å; K222-F265 HydrophobicContact CD-CE2 3.94Å; K222-F265 HydrophobicContact CD-CZ 4.16Å; K222-F265 HydrophobicContact CG-CE2 4.36Å; K222-F265 HydrophobicContact CG-CZ 4.39Å; V226-F265 HydrophobicContact CG2-CD2 4.08Å; V226-F265 HydrophobicContact CG2-CE2 4.2Å; A260-F265 CarbonylContact C-O 3.4Å; A260-F265 HydrophobicContact CB-CB 4.26Å; A260-F265 WeakPolarHBondContact O-CA 3.02Å; A260-F265 WeakPolarHBondContact O-CB 3.27Å; A260-F265 PolarHBondContact O-N 3.45Å; H263-F265 HydrophobicContact CB-CD2 3.88Å; H263-F265 HydrophobicContact CB-CE2 4.15Å; H263-F265 VanDerWaalsContact O-CD2 3.29Å; H263-F265 WeakPolarHBondContact O-CD2 3.4Å; H263-F265 PolarHBondContact O-N 3.37Å; F265-R267 PolarHBondContact O-N 3.27Å; F265-R267 VanDerWaalsContact O-N 3.09Å
266R85.4Confident90.8Very high234 Ų23456.3 Ų56.388%0.88327%0.268SS*.  trans-82.680.7175.1-58.5-177.177.6164.83.4111
267R87.3Confident90.7Very high80 Ų8059.6 Ų59.630%0.30228%0.282SS..  trans-80146.8166.7-68.8-70.7175.3-93.33.2110.5L217 E218 F219 F265 V272L217-R267 PolarHBondContact O-NE 3.23Å; L217-R267 PolarHBondContact O-NH2 3.05Å; E218-R267 PolarHBondContact O-NH2 3.07Å; F219-R267 HydrophobicContact CD1-CG 4.39Å; F219-R267 HydrophobicContact CE1-CG 3.71Å; F265-R267 PolarHBondContact O-N 3.27Å; F265-R267 VanDerWaalsContact O-N 3.09Å; R267-V272 HydrophobicContact CB-CG2 4.45Å
268S91.2Very high90.7Very high39 Ų3960.5 Ų60.527%0.27329%0.288SS..  trans-79154176.188.30000111K270 D271 V272S268-K270 PolarHBondContact O-N 3.18Å; S268-K270 PolarHBondContact OG-N 2.83Å; S268-D271 WeakPolarHBondContact CB-OD2 3.48Å; S268-D271 PolarHBondContact N-OD2 2.89Å; S268-D271 VanDerWaalsContact N-OD2 3.07Å; S268-D271 PolarHBondContact O-N 3.15Å; S268-D271 PolarHBondContact OG-N 2.68Å; S268-D271 PolarHBondContact OG-OD1 2.91Å; S268-D271 PolarHBondContact OG-OD2 3.47Å; S268-V272 PolarHBondContact O-N 3.18Å
269V91.8Very high90.7Very high26 Ų2663.1 Ų63.116%0.15831%0.307CS..Hα-helixtrans-62.1-31.3174.4170.90000111.3L257 I273 Q280 L283L257-V269 HydrophobicContact CD2-CG2 4.02Å; V269-I273 HydrophobicContact CG1-CD1 3.66Å; V269-I273 HydrophobicContact CG1-CG1 4.38Å; V269-I273 WeakPolarHBondContact O-CB 3.44Å; V269-I273 VanDerWaalsContact O-CD1 3.27Å; V269-I273 WeakPolarHBondContact O-CD1 3.34Å; V269-I273 WeakPolarHBondContact O-CG1 3.39Å; V269-I273 PolarHBondContact O-N 3.4Å; V269-I273 VanDerWaalsContact O-N 3.08Å; V269-Q280 HydrophobicContact CG1-CG 3.83Å; V269-L283 HydrophobicContact CG1-CD2 3.92Å
270K91.6Very high90.7Very high164 Ų16466.6 Ų66.671%0.71332%0.323SS*.Hα-helixtrans-65.5-40.5177.8-66.1-178.4178.8178.30111.5S268 I273 G274S268-K270 PolarHBondContact O-N 3.18Å; S268-K270 PolarHBondContact OG-N 2.83Å; K270-I273 WeakPolarHBondContact O-CB 3.25Å; K270-I273 PolarHBondContact O-N 3.42Å; K270-G274 PolarHBondContact O-N 3.33Å; K270-G274 VanDerWaalsContact O-N 3.08Å
271D91.6Very high90.7Very high82 Ų8271 Ų7144%0.43935%0.35SS..Hα-helixtrans-66.2-46.1179.5-48-40.9000111.4S268 I273 G274 V275S268-D271 WeakPolarHBondContact CB-OD2 3.48Å; S268-D271 PolarHBondContact N-OD2 2.89Å; S268-D271 VanDerWaalsContact N-OD2 3.07Å; S268-D271 PolarHBondContact O-N 3.15Å; S268-D271 PolarHBondContact OG-N 2.68Å; S268-D271 PolarHBondContact OG-OD1 2.91Å; S268-D271 PolarHBondContact OG-OD2 3.47Å; D271-I273 VanDerWaalsContact C-N 3.3Å; D271-I273 PolarHBondContact O-N 3.41Å; D271-G274 PolarHBondContact O-N 3.24Å; D271-G274 VanDerWaalsContact O-N 3.16Å; D271-V275 PolarHBondContact O-N 3.01Å
272V92.3Very high90.9Very high3 Ų369.8 Ų69.82%0.01835%0.352CS..Hα-helixtrans-61.6-39.9177.2178.80000111.1L217 L257 R267 S268 G274 V275 V276L217-V272 HydrophobicContact CD1-CG2 4.33Å; L217-V272 HydrophobicContact CD2-CG2 4.19Å; L257-V272 HydrophobicContact CD1-CG2 4.19Å; R267-V272 HydrophobicContact CB-CG2 4.45Å; S268-V272 PolarHBondContact O-N 3.18Å; V272-G274 PolarHBondContact O-N 3.25Å; V272-V275 PolarHBondContact O-N 3.08Å; V272-V276 HydrophobicContact CG1-CG2 4.04Å; V272-V276 VanDerWaalsContact O-CB 3.27Å; V272-V276 WeakPolarHBondContact O-CB 3.31Å; V272-V276 VanDerWaalsContact O-CG2 3.29Å; V272-V276 WeakPolarHBondContact O-CG2 3.34Å; V272-V276 PolarHBondContact O-N 3.2Å
273I92.9Very high91Very high40 Ų4068.3 Ų68.321%0.20534%0.344CS..Hα-helixtrans-60.9-42.4174.8-75.5165.1000111.9V269 K270 D271 V275 V276 K277 V278 Q280V269-I273 HydrophobicContact CG1-CD1 3.66Å; V269-I273 HydrophobicContact CG1-CG1 4.38Å; V269-I273 WeakPolarHBondContact O-CB 3.44Å; V269-I273 VanDerWaalsContact O-CD1 3.27Å; V269-I273 WeakPolarHBondContact O-CD1 3.34Å; V269-I273 WeakPolarHBondContact O-CG1 3.39Å; V269-I273 PolarHBondContact O-N 3.4Å; V269-I273 VanDerWaalsContact O-N 3.08Å; K270-I273 WeakPolarHBondContact O-CB 3.25Å; K270-I273 PolarHBondContact O-N 3.42Å; D271-I273 VanDerWaalsContact C-N 3.3Å; D271-I273 PolarHBondContact O-N 3.41Å; I273-V275 VanDerWaalsContact C-N 3.32Å; I273-V275 PolarHBondContact O-N 3.02Å; I273-V276 PolarHBondContact O-N 2.93Å; I273-K277 WeakPolarHBondContact O-CA 3.37Å; I273-K277 PolarHBondContact O-N 3.01Å; I273-V278 WeakPolarHBondContact CG1-O 3.39Å; I273-V278 VanDerWaalsContact CG2-O 3.29Å; I273-V278 WeakPolarHBondContact CG2-O 3.08Å; I273-Q280 VanDerWaalsContact CD1-CA 3.48Å; I273-Q280 HydrophobicContact CD1-CB 3.49Å; I273-Q280 VanDerWaalsContact CD1-CB 3.49Å; I273-Q280 HydrophobicContact CD1-CG 3.9Å
274G90.1Very high91.2Very high55 Ų5572.2 Ų72.257%0.56736%0.357SS*.Hα-helixtrans-60.1-40.2178.400000113K270 D271 V272K270-G274 PolarHBondContact O-N 3.33Å; K270-G274 VanDerWaalsContact O-N 3.08Å; D271-G274 PolarHBondContact O-N 3.24Å; D271-G274 VanDerWaalsContact O-N 3.16Å; V272-G274 PolarHBondContact O-N 3.25Å
275V91.3Very high91.3Very high18 Ų1869.9 Ų69.911%0.10935%0.347CS..Hα-helixtrans-75.3-46.8177.91720000112.2F213 M216 L217 D271 V272 I273F213-V275 HydrophobicContact CB-CG1 4.05Å; F213-V275 HydrophobicContact CD1-CG1 3.67Å; F213-V275 HydrophobicContact CG-CG1 4.18Å; M216-V275 HydrophobicContact CB-CG1 3.68Å; M216-V275 HydrophobicContact CB-CG2 4.02Å; M216-V275 HydrophobicContact CE-CG1 4.08Å; M216-V275 HydrophobicContact CE-CG2 4.45Å; M216-V275 HydrophobicContact SD-CG1 4.16Å; L217-V275 HydrophobicContact CD2-CB 4.18Å; L217-V275 HydrophobicContact CD2-CG2 3.7Å; L217-V275 HydrophobicContact CG-CB 4.37Å; L217-V275 HydrophobicContact CG-CG1 4.34Å; L217-V275 HydrophobicContact CG-CG2 4.07Å; D271-V275 PolarHBondContact O-N 3.01Å; V272-V275 PolarHBondContact O-N 3.08Å; I273-V275 VanDerWaalsContact C-N 3.32Å; I273-V275 PolarHBondContact O-N 3.02Å
276V90.9Very high91.4Very high2 Ų269.2 Ų69.21%0.01234%0.343CS..Hα-helixtrans-84.8-17.3-170.1177.10000112.8F213 S249 V272 I273 V278F213-V276 HydrophobicContact CD2-CG2 4.24Å; F213-V276 HydrophobicContact CE2-CG2 4.41Å; F213-V276 HydrophobicContact CG-CG2 4.35Å; S249-V276 WeakPolarHBondContact O-CG1 3.41Å; V272-V276 HydrophobicContact CG1-CG2 4.04Å; V272-V276 VanDerWaalsContact O-CB 3.27Å; V272-V276 WeakPolarHBondContact O-CB 3.31Å; V272-V276 VanDerWaalsContact O-CG2 3.29Å; V272-V276 WeakPolarHBondContact O-CG2 3.34Å; V272-V276 PolarHBondContact O-N 3.2Å; I273-V276 PolarHBondContact O-N 2.93Å; V276-V278 HydrophobicContact CG1-CB 4.36Å; V276-V278 HydrophobicContact CG1-CG2 3.97Å
277K90.8Very high91.7Very high70 Ų7059.4 Ų59.430%0.30431%0.308SS..THydrogen-bonded Turntrans59.551.7176.7-55175-174.2177.40112.9L150 D151 D154 I273L150-K277 HydrophobicContact CB-CD 4.33Å; L150-K277 HydrophobicContact CD1-CB 4.36Å; D151-K277 IonicContact OD1-NZ 2.7Å; D151-K277 PolarHBondContact OD1-NZ 3.45Å; D154-K277 WeakPolarHBondContact OD2-CD 3.45Å; D154-K277 VanDerWaalsContact OD2-CE 3.28Å; D154-K277 WeakPolarHBondContact OD2-CE 3.17Å; D154-K277 IonicContact OD2-NZ 2.75Å; D154-K277 PolarHBondContact OD2-NZ 3.08Å; I273-K277 WeakPolarHBondContact O-CA 3.37Å; I273-K277 PolarHBondContact O-N 3.01Å
278V92.1Very high91.8Very high22 Ų2258.5 Ų58.513%0.13331%0.311CS..  trans-137.9144.1-177.8172.30000110.3S249 I273 V276 T282S249-V278 VanDerWaalsContact OG-CG2 3.25Å; S249-V278 WeakPolarHBondContact OG-CG2 3.46Å; I273-V278 WeakPolarHBondContact CG1-O 3.39Å; I273-V278 VanDerWaalsContact CG2-O 3.29Å; I273-V278 WeakPolarHBondContact CG2-O 3.08Å; V276-V278 HydrophobicContact CG1-CB 4.36Å; V276-V278 HydrophobicContact CG1-CG2 3.97Å; V278-T282 HydrophobicContact CG1-CG2 3.69Å
279C92.4Very high91.8Very high85 Ų8558.2 Ų58.257%0.57431%0.306SS*.  trans-66.8146.8-179.1-560000113.3T281 T282 L283C279-T281 VanDerWaalsContact C-N 3.34Å; C279-T281 PolarHBondContact O-N 3.22Å; C279-T282 WeakPolarHBondContact O-CA 3.44Å; C279-T282 WeakPolarHBondContact O-CB 3.22Å; C279-T282 PolarHBondContact O-N 3.38Å; C279-L283 PolarHBondContact O-N 2.97Å; C279-L283 VanDerWaalsContact O-N 3.1Å
280Q93Very high91.7Very high72 Ų7257.7 Ų57.734%0.33630%0.301SS..Hα-helixtrans-55.6-43.5-178.9-170.9173.86.400113.7V269 I273 T282 L283 R284V269-Q280 HydrophobicContact CG1-CG 3.83Å; I273-Q280 VanDerWaalsContact CD1-CA 3.48Å; I273-Q280 HydrophobicContact CD1-CB 3.49Å; I273-Q280 VanDerWaalsContact CD1-CB 3.49Å; I273-Q280 HydrophobicContact CD1-CG 3.9Å; Q280-T282 VanDerWaalsContact C-N 3.25Å; Q280-T282 PolarHBondContact O-N 3.15Å; Q280-L283 PolarHBondContact O-N 2.99Å; Q280-R284 VanDerWaalsContact NE2-NH2 3.15Å; Q280-R284 PolarHBondContact O-N 2.87Å
281T93.6Very high91.6Very high95 Ų9552 Ų5258%0.58328%0.278SS*.Hα-helixtrans-62.2-33176.9530000112.4C279 K285C279-T281 VanDerWaalsContact C-N 3.34Å; C279-T281 PolarHBondContact O-N 3.22Å; T281-K285 WeakPolarHBondContact O-CG 3.27Å; T281-K285 PolarHBondContact O-N 3.18Å; T281-K285 VanDerWaalsContact O-N 3.08Å
282T92.6Very high91.3Very high53 Ų5354.3 Ų54.333%0.32529%0.29SS..Hα-helixtrans-72.1-38.7175.9-55.60000111V278 C279 Q280 K285 R286V278-T282 HydrophobicContact CG1-CG2 3.69Å; C279-T282 WeakPolarHBondContact O-CA 3.44Å; C279-T282 WeakPolarHBondContact O-CB 3.22Å; C279-T282 PolarHBondContact O-N 3.38Å; Q280-T282 VanDerWaalsContact C-N 3.25Å; Q280-T282 PolarHBondContact O-N 3.15Å; T282-K285 PolarHBondContact O-N 3.42Å; T282-R286 WeakPolarHBondContact O-CG 3.46Å; T282-R286 PolarHBondContact O-N 3.15Å
283L92.7Very high91.1Very high5 Ų554.5 Ų54.53%0.02629%0.291CS..Hα-helixtrans-64.8-46.8174.7-16972.4000111.4A254 L257 V269 C279 Q280 K285 R286 L287A254-L283 HydrophobicContact CB-CD1 4.1Å; L257-L283 HydrophobicContact CD2-CD2 4.38Å; V269-L283 HydrophobicContact CG1-CD2 3.92Å; C279-L283 PolarHBondContact O-N 2.97Å; C279-L283 VanDerWaalsContact O-N 3.1Å; Q280-L283 PolarHBondContact O-N 2.99Å; L283-K285 PolarHBondContact O-N 3.2Å; L283-R286 PolarHBondContact O-N 2.9Å; L283-R286 VanDerWaalsContact O-N 3.11Å; L283-L287 HydrophobicContact CG-CD1 4.4Å; L283-L287 WeakPolarHBondContact O-CG 3.31Å; L283-L287 PolarHBondContact O-N 2.94Å; L283-L287 VanDerWaalsContact O-N 3.13Å
284R92.4Very high90.6Very high126 Ų12653.9 Ų53.948%0.47529%0.29SS..Hα-helixtrans-56.1-47.5175.2-67.9-168.3-160.7-162.77111.4Q280 R286 L287 T288Q280-R284 VanDerWaalsContact NE2-NH2 3.15Å; Q280-R284 PolarHBondContact O-N 2.87Å; R284-R286 VanDerWaalsContact C-N 3.27Å; R284-R286 PolarHBondContact O-N 3.39Å; R284-L287 WeakPolarHBondContact O-CA 3.41Å; R284-L287 WeakPolarHBondContact O-CB 3.45Å; R284-L287 PolarHBondContact O-N 3.05Å; R284-T288 PolarHBondContact O-N 3.1Å; R284-T288 PolarHBondContact O-OG1 3.41Å
285K91.7Very high90.3Very high146 Ų14651.6 Ų51.664%0.63527%0.265SS*.Hα-helixtrans-56.7-36.3176.1-75.2-177.2179.8-163.20113.6T281 T282 L283 L287 E289T281-K285 WeakPolarHBondContact O-CG 3.27Å; T281-K285 PolarHBondContact O-N 3.18Å; T281-K285 VanDerWaalsContact O-N 3.08Å; T282-K285 PolarHBondContact O-N 3.42Å; L283-K285 PolarHBondContact O-N 3.2Å; K285-L287 VanDerWaalsContact C-N 3.34Å; K285-E289 WeakPolarHBondContact O-CB 3.28Å; K285-E289 VanDerWaalsContact O-CG 3.23Å; K285-E289 WeakPolarHBondContact O-CG 3.44Å; K285-E289 PolarHBondContact O-N 3.38Å
286R91.9Very high89.9Confident37 Ų3752.7 Ų52.714%0.1427%0.273CS..Hα-helixtrans-74.9-21175.5-62.2-58.3171.7-130.5-8113.9R246 L251 A254 T282 L283 R284 E289 F290R246-R286 VanDerWaalsContact NH1-NH1 3.12Å; L251-R286 HydrophobicContact CD2-CB 4.46Å; L251-R286 HydrophobicContact CD2-CG 4.36Å; A254-R286 HydrophobicContact CB-CB 4Å; T282-R286 WeakPolarHBondContact O-CG 3.46Å; T282-R286 PolarHBondContact O-N 3.15Å; L283-R286 PolarHBondContact O-N 2.9Å; L283-R286 VanDerWaalsContact O-N 3.11Å; R284-R286 VanDerWaalsContact C-N 3.27Å; R284-R286 PolarHBondContact O-N 3.39Å; R286-E289 WeakPolarHBondContact CD-OE2 3.33Å; R286-E289 IonicContact CZ-OE2 3.06Å; R286-E289 IonicContact NE-OE2 2.85Å; R286-E289 IonicContact NH1-OE1 2.6Å; R286-E289 PolarHBondContact NH1-OE1 2.69Å; R286-E289 IonicContact NH1-OE2 3.55Å; R286-E289 PolarHBondContact NH1-OE2 2.83Å; R286-F290 WeakPolarHBondContact O-CB 3.5Å; R286-F290 PolarHBondContact O-N 3.28Å
287L91Very high89.5Confident27 Ų2759.8 Ų59.814%0.14131%0.306CS..Hα-helixtrans-80.7-43.7173.7-67163.3000110.5A254 L257 V258 L283 R284 K285 F290 E291A254-L287 HydrophobicContact CB-CD2 3.93Å; A254-L287 HydrophobicContact CB-CG 4.23Å; L257-L287 HydrophobicContact CD2-CD1 3.88Å; V258-L287 HydrophobicContact CG2-CD2 3.87Å; L283-L287 HydrophobicContact CG-CD1 4.4Å; L283-L287 WeakPolarHBondContact O-CG 3.31Å; L283-L287 PolarHBondContact O-N 2.94Å; L283-L287 VanDerWaalsContact O-N 3.13Å; R284-L287 WeakPolarHBondContact O-CA 3.41Å; R284-L287 WeakPolarHBondContact O-CB 3.45Å; R284-L287 PolarHBondContact O-N 3.05Å; K285-L287 VanDerWaalsContact C-N 3.34Å; L287-F290 WeakPolarHBondContact O-CB 3.43Å; L287-F290 PolarHBondContact O-N 3.48Å; L287-F290 VanDerWaalsContact O-N 3.13Å; L287-E291 PolarHBondContact O-N 3.45Å
288T90.9Very high89.2Confident61 Ų6158 Ų5837%0.37430%0.3SS..Hα-helixtrans-62.2-46.7173.5-49.50000111.6R284 F290 E291 D292R284-T288 PolarHBondContact O-N 3.1Å; R284-T288 PolarHBondContact O-OG1 3.41Å; T288-F290 PolarHBondContact O-N 3.47Å; T288-F290 VanDerWaalsContact O-N 3.14Å; T288-E291 WeakPolarHBondContact O-CB 3.44Å; T288-E291 PolarHBondContact O-N 3.33Å; T288-D292 PolarHBondContact O-N 2.98Å; T288-D292 VanDerWaalsContact O-N 3.13Å
289E89.4Confident88.9Confident34 Ų3461 Ų6116%0.15932%0.318CS..Hα-helixtrans-60.3-25.6174.1-74.7173.5174.100113.4M242 R246 K285 R286 T293 P315M242-E289 HydrophobicContact SD-CB 3.96Å; M242-E289 VanDerWaalsContact SD-O 3.39Å; R246-E289 IonicContact CZ-OE1 2.65Å; R246-E289 IonicContact CZ-OE2 2.72Å; R246-E289 IonicContact NH1-OE1 2.86Å; R246-E289 PolarHBondContact NH1-OE1 2.84Å; R246-E289 IonicContact NH1-OE2 2.68Å; R246-E289 PolarHBondContact NH1-OE2 3.43Å; R246-E289 IonicContact NH2-OE1 3.35Å; R246-E289 PolarHBondContact NH2-OE1 2.84Å; R246-E289 IonicContact NH2-OE2 2.68Å; R246-E289 PolarHBondContact NH2-OE2 3.17Å; K285-E289 WeakPolarHBondContact O-CB 3.28Å; K285-E289 VanDerWaalsContact O-CG 3.23Å; K285-E289 WeakPolarHBondContact O-CG 3.44Å; K285-E289 PolarHBondContact O-N 3.38Å; R286-E289 WeakPolarHBondContact CD-OE2 3.33Å; R286-E289 IonicContact CZ-OE2 3.06Å; R286-E289 IonicContact NE-OE2 2.85Å; R286-E289 IonicContact NH1-OE1 2.6Å; R286-E289 PolarHBondContact NH1-OE1 2.69Å; R286-E289 IonicContact NH1-OE2 3.55Å; R286-E289 PolarHBondContact NH1-OE2 2.83Å; E289-T293 WeakPolarHBondContact O-CG2 3.47Å; E289-P315 HydrophobicContact CG-CB 4.38Å; E289-P315 HydrophobicContact CG-CG 4.29Å
290F89.9Confident88.3Confident14 Ų1461.6 Ų61.66%0.06132%0.315CS..Hα-helixtrans-81.5-34174.7178.6-107000111.8L233 M237 M242 R286 L287 T288 D292 T293 T295 S296L233-F290 HydrophobicContact CD2-CE2 4.33Å; L233-F290 HydrophobicContact CD2-CZ 3.75Å; M237-F290 HydrophobicContact CE-CB 3.95Å; M237-F290 HydrophobicContact CE-CD2 3.81Å; M237-F290 HydrophobicContact CE-CG 4Å; M237-F290 HydrophobicContact CG-CD2 4.15Å; M237-F290 HydrophobicContact CG-CE2 4.39Å; M242-F290 HydrophobicContact CE-CB 4.14Å; M242-F290 HydrophobicContact CE-CD2 3.95Å; R286-F290 WeakPolarHBondContact O-CB 3.5Å; R286-F290 PolarHBondContact O-N 3.28Å; L287-F290 WeakPolarHBondContact O-CB 3.43Å; L287-F290 PolarHBondContact O-N 3.48Å; L287-F290 VanDerWaalsContact O-N 3.13Å; T288-F290 PolarHBondContact O-N 3.47Å; T288-F290 VanDerWaalsContact O-N 3.14Å; F290-D292 VanDerWaalsContact C-N 3.26Å; F290-D292 PolarHBondContact O-N 3.3Å; F290-T293 WeakPolarHBondContact O-CB 3.3Å; F290-T293 PolarHBondContact O-N 3.01Å; F290-T293 VanDerWaalsContact O-N 3.07Å; F290-T293 PolarHBondContact O-OG1 2.95Å; F290-T295 HydrophobicContact CE2-CG2 3.89Å; F290-T295 HydrophobicContact CZ-CG2 3.91Å; F290-S296 WeakPolarHBondContact O-CB 3.46Å
291E89.5Confident87.7Confident45 Ų4563.4 Ų63.421%0.2133%0.327CS..Hα-helixtrans-59.6-37.4172.9-172.6166-159.300111.6L287 T288 T293 S296 S685L287-E291 PolarHBondContact O-N 3.45Å; T288-E291 WeakPolarHBondContact O-CB 3.44Å; T288-E291 PolarHBondContact O-N 3.33Å; E291-T293 PolarHBondContact O-N 3.31Å; E291-S296 WeakPolarHBondContact O-CB 3.45Å; E291-S296 PolarHBondContact O-OG 3.39Å; E291-S685 VanDerWaalsContact OE1-CB 3.28Å; E291-S685 WeakPolarHBondContact OE1-CB 3.33Å; E291-S685 PolarHBondContact OE1-OG 3.02Å
292D86.1Confident87.2Confident131 Ų13162.7 Ų62.770%0.70132%0.317SS*.THydrogen-bonded Turntrans-68.6-11.2174.5-60.1-37000114.3T288 F290T288-D292 PolarHBondContact O-N 2.98Å; T288-D292 VanDerWaalsContact O-N 3.13Å; F290-D292 VanDerWaalsContact C-N 3.26Å; F290-D292 PolarHBondContact O-N 3.3Å
293T87.2Confident86.7Confident7 Ų760.8 Ų60.84%0.04330%0.304CS..SBendtrans-87.3147.6178.770.10000111.8M242 E289 F290 E291 T295 S296M242-T293 HydrophobicContact CE-CG2 4.12Å; M242-T293 HydrophobicContact SD-CG2 4.07Å; E289-T293 WeakPolarHBondContact O-CG2 3.47Å; F290-T293 WeakPolarHBondContact O-CB 3.3Å; F290-T293 PolarHBondContact O-N 3.01Å; F290-T293 VanDerWaalsContact O-N 3.07Å; F290-T293 PolarHBondContact O-OG1 2.95Å; E291-T293 PolarHBondContact O-N 3.31Å; T293-T295 PolarHBondContact O-N 3.37Å; T293-S296 WeakPolarHBondContact O-CB 3.42Å; T293-S296 PolarHBondContact O-N 3.26Å; T293-S296 PolarHBondContact O-OG 3.48Å
294P82.9Confident86.1Confident27 Ų2764.5 Ų64.518%0.17532%0.322CS..G310 helixtrans-61.6-19.9177.726.8-35.5000113S296 Q297 L308 C312P294-S296 PolarHBondContact O-N 2.94Å; P294-Q297 PolarHBondContact O-N 3.24Å; P294-L308 HydrophobicContact CB-CD1 4.25Å; P294-C312 WeakPolarHBondContact CD-SG 3.44Å
295T83.5Confident85.6Confident6 Ų668.2 Ų68.24%0.03734%0.336CS..G310 helixtrans-59.6-26.2172.7-470000112.7R236 D240 F290 T293 Q297 F303R236-T295 HydrophobicContact CG-CG2 3.7Å; R236-T295 WeakPolarHBondContact CG-OG1 3.43Å; R236-T295 PolarHBondContact NE-OG1 2.9Å; R236-T295 PolarHBondContact NH2-OG1 3.24Å; D240-T295 PolarHBondContact OD2-OG1 2.86Å; F290-T295 HydrophobicContact CE2-CG2 3.89Å; F290-T295 HydrophobicContact CZ-CG2 3.91Å; T293-T295 PolarHBondContact O-N 3.37Å; T295-Q297 VanDerWaalsContact C-N 3.33Å; T295-F303 HydrophobicContact CG2-CD2 3.88Å; T295-F303 HydrophobicContact CG2-CE2 3.69Å
296S82.8Confident84.9Confident42 Ų4264.4 Ų64.429%0.29433%0.325SS..G310 helixtrans-74.6-21.9-178.674.70000114F290 E291 T293 P294F290-S296 WeakPolarHBondContact O-CB 3.46Å; E291-S296 WeakPolarHBondContact O-CB 3.45Å; E291-S296 PolarHBondContact O-OG 3.39Å; T293-S296 WeakPolarHBondContact O-CB 3.42Å; T293-S296 PolarHBondContact O-N 3.26Å; T293-S296 PolarHBondContact O-OG 3.48Å; P294-S296 PolarHBondContact O-N 2.94Å
297Q84.1Confident84Confident151 Ų15166.2 Ų66.271%0.70634%0.337SS*.G310 helixtrans-87.8-13.2-174-60.6178.3-0.700112.7P294 T295P294-Q297 PolarHBondContact O-N 3.24Å; T295-Q297 VanDerWaalsContact C-N 3.33Å
298L84.5Confident83.3Confident33 Ų3367.2 Ų67.217%0.17334%0.343CS..SBendtrans-72.7146.9179.2-60.3173.5000111.7E302 F303 L308L298-E302 HydrophobicContact CD2-CG 4.07Å; L298-F303 HydrophobicContact CB-CB 4.35Å; L298-F303 HydrophobicContact CD1-CB 4.39Å; L298-F303 HydrophobicContact CD1-CD2 4.27Å; L298-L308 HydrophobicContact CD1-CD1 3.8Å; L298-L308 HydrophobicContact CD1-CG 4.01Å; L298-L308 HydrophobicContact CD2-CD1 4.2Å; L298-L308 HydrophobicContact CD2-CD2 4.39Å; L298-L308 HydrophobicContact CD2-CG 4.45Å; L298-L308 HydrophobicContact CG-CD1 4.19Å
299T83.9Confident82.4Confident83 Ų8373.2 Ų73.251%0.50937%0.367SS..  trans-69.4158.9169.667.70000111.5D301 E302 F303T299-D301 VanDerWaalsContact C-N 3.3Å; T299-D301 PolarHBondContact O-N 3.34Å; T299-E302 PolarHBondContact N-OE2 3.33Å; T299-E302 PolarHBondContact O-N 2.82Å; T299-E302 WeakPolarHBondContact OG1-CB 3.3Å; T299-E302 PolarHBondContact OG1-N 3.37Å; T299-F303 PolarHBondContact O-N 3.07Å
300I80.9Confident81.7Confident99 Ų9977.9 Ų77.951%0.50839%0.388SS..Hα-helixtrans-57.9-41.8-177.2-67.5172.9000111.8M262 M304M262-I300 HydrophobicContact CE-CG2 3.94Å; I300-M304 WeakPolarHBondContact O-CG 3.13Å; I300-M304 PolarHBondContact O-N 2.95Å
301D80.2Confident81.2Confident109 Ų10983.2 Ų83.258%0.58341%0.413SS*.Hα-helixtrans-79.4-31.7-178.7-75.9-25.4000112.7T299 M304 R305T299-D301 VanDerWaalsContact C-N 3.3Å; T299-D301 PolarHBondContact O-N 3.34Å; D301-M304 PolarHBondContact O-N 3.14Å; D301-R305 WeakPolarHBondContact O-CG 3.29Å; D301-R305 PolarHBondContact O-N 2.93Å
302E82.3Confident80.8Confident80 Ų8082.6 Ų82.637%0.37441%0.414SS..Hα-helixtrans-66-47.1173.4-178.1-179.2-162.900111.3L298 T299 M304 R305 V306L298-E302 HydrophobicContact CD2-CG 4.07Å; T299-E302 PolarHBondContact N-OE2 3.33Å; T299-E302 PolarHBondContact O-N 2.82Å; T299-E302 WeakPolarHBondContact OG1-CB 3.3Å; T299-E302 PolarHBondContact OG1-N 3.37Å; E302-M304 PolarHBondContact O-N 2.93Å; E302-M304 VanDerWaalsContact O-N 3.16Å; E302-R305 PolarHBondContact O-N 3.01Å; E302-V306 HydrophobicContact CG-CB 4.47Å; E302-V306 HydrophobicContact CG-CG2 4.21Å; E302-V306 PolarHBondContact O-N 3.05Å
303F82.6Confident80.6Confident13 Ų1380.9 Ų80.96%0.05741%0.405CS..Hα-helixtrans-56.7-31.4173.4175.1-95.9000112.8R232 L233 M262 T295 L298 T299 R305R232-F303 HydrophobicContact CB-CZ 4.38Å; R232-F303 HydrophobicContact CG-CE1 4.31Å; R232-F303 HydrophobicContact CG-CZ 4Å; R232-F303 PolarHBondContact NE-O 3.45Å; R232-F303 PolarHBondContact NH1-O 3.44Å; R232-F303 PolarHBondContact NH2-O 2.9Å; L233-F303 HydrophobicContact CB-CZ 4.46Å; L233-F303 HydrophobicContact CD2-CE1 3.89Å; L233-F303 HydrophobicContact CD2-CE2 3.87Å; L233-F303 HydrophobicContact CD2-CZ 3.42Å; L233-F303 VanDerWaalsContact CD2-CZ 3.42Å; L233-F303 HydrophobicContact CG-CE1 3.93Å; L233-F303 HydrophobicContact CG-CZ 3.67Å; M262-F303 HydrophobicContact CE-CD1 3.92Å; M262-F303 HydrophobicContact CE-CE1 4.45Å; T295-F303 HydrophobicContact CG2-CD2 3.88Å; T295-F303 HydrophobicContact CG2-CE2 3.69Å; L298-F303 HydrophobicContact CB-CB 4.35Å; L298-F303 HydrophobicContact CD1-CB 4.39Å; L298-F303 HydrophobicContact CD1-CD2 4.27Å; T299-F303 PolarHBondContact O-N 3.07Å; F303-R305 VanDerWaalsContact C-N 3.28Å; F303-R305 PolarHBondContact O-N 3.36Å
304M80.8Confident80.5Confident83 Ų8382.3 Ų82.341%0.40941%0.414SS..THydrogen-bonded Turntrans-78.7-9.5177-69.3-64-74.600113.6T229 R232 I300 D301 E302T229-M304 HydrophobicContact CG2-SD 4.21Å; R232-M304 PolarHBondContact NH1-O 3.34Å; I300-M304 WeakPolarHBondContact O-CG 3.13Å; I300-M304 PolarHBondContact O-N 2.95Å; D301-M304 PolarHBondContact O-N 3.14Å; E302-M304 PolarHBondContact O-N 2.93Å; E302-M304 VanDerWaalsContact O-N 3.16Å
305R82.4Confident80.6Confident204 Ų20482 Ų8277%0.7741%0.412SS*.THydrogen-bonded Turntrans-114.7-41.4-179.6-65.5174.1-170.5-166.15.5113D301 E302 F303D301-R305 WeakPolarHBondContact O-CG 3.29Å; D301-R305 PolarHBondContact O-N 2.93Å; E302-R305 PolarHBondContact O-N 3.01Å; F303-R305 VanDerWaalsContact C-N 3.28Å; F303-R305 PolarHBondContact O-N 3.36Å
306V75.7Confident80.7Confident66 Ų6685.9 Ų85.940%0.444%0.44SS..  trans-104.8122.8-172.8-175.70000110.1E302E302-V306 HydrophobicContact CG-CB 4.47Å; E302-V306 HydrophobicContact CG-CG2 4.21Å; E302-V306 PolarHBondContact O-N 3.05Å
307D73.9Confident80.8Confident75 Ų7588.7 Ų88.740%0.40145%0.446SS..  trans-92.9112.5163.1-92.518.2000107.6R232 R239R232-D307 IonicContact CZ-OD1 3.26Å; R232-D307 VanDerWaalsContact CZ-OD1 3.26Å; R232-D307 IonicContact NE-OD1 3.97Å; R232-D307 PolarHBondContact NE-OD1 3.03Å; R232-D307 IonicContact NH2-OD1 2.72Å; R232-D307 PolarHBondContact NH2-OD1 3.37Å; R239-D307 IonicContact CZ-OD2 3.78Å; R239-D307 IonicContact NH1-OD2 2.68Å; R239-D307 PolarHBondContact NH1-OD2 3.13Å; R239-D307 IonicContact NH2-OD2 3.15Å
308L76.8Confident80.9Confident48 Ų4884.6 Ų84.625%0.25143%0.432SS..  trans-63.9140.6173-67.4175.8000110.8R236 P294 L298R236-L308 PolarHBondContact NH1-O 3.42Å; P294-L308 HydrophobicContact CB-CD1 4.25Å; L298-L308 HydrophobicContact CD1-CD1 3.8Å; L298-L308 HydrophobicContact CD1-CG 4.01Å; L298-L308 HydrophobicContact CD2-CD1 4.2Å; L298-L308 HydrophobicContact CD2-CD2 4.39Å; L298-L308 HydrophobicContact CD2-CG 4.45Å; L298-L308 HydrophobicContact CG-CD1 4.19Å
309E71.1Confident80.9Confident188 Ų18885.9 Ų85.988%0.87945%0.447SS*.  trans-86.7-23.2175.8-63.6-172.1162.300113.2E311E309-E311 PolarHBondContact O-N 2.74Å
310Q75.2Confident81.1Confident132 Ų13283.6 Ų83.662%0.61744%0.44SS*.  trans-63.8123.3-176.6-166.9171.72400111R236R236-Q310 PolarHBondContact NH1-O 3.35Å; R236-Q310 PolarHBondContact NH2-O 3.43Å
311E79.6Confident81.4Confident125 Ų12583 Ų8358%0.58444%0.435SS*.  trans-91.6154.1173.6-60.9-167.7173.700110.9W241 E309W241-E311 PolarHBondContact NE1-OE2 2.89Å; E309-E311 PolarHBondContact O-N 2.74Å
312C79.7Confident81.6Confident33 Ų3383.8 Ų83.822%0.22344%0.435CS..  trans-116.8149.3176-62.30000111.6D240 P294D240-C312 CarbonylContact C-O 3.6Å; D240-C312 HydrophobicContact CB-CB 4.23Å; P294-C312 WeakPolarHBondContact CD-SG 3.44Å
313D82.5Confident82.1Confident95 Ų9585.7 Ų85.751%0.50844%0.442SS..  trans-66.1147.9174.7-76.6-44.9000112.5F317 T318D313-F317 HydrophobicContact CB-CD1 3.75Å; D313-F317 HydrophobicContact CB-CE1 4.45Å; D313-F317 WeakPolarHBondContact OD2-CE1 3.34Å; D313-T318 HydrophobicContact CB-CG2 4.15Å
314P85.8Confident82.6Confident36 Ų3688.7 Ų88.723%0.23446%0.461CS..  trans-62.1136.2175.525.4-33.7000110.7W241 S316 F317W241-P314 HydrophobicContact CB-CB 4.07Å; P314-S316 PolarHBondContact O-N 3.16Å; P314-F317 HydrophobicContact CG-CB 4.3Å; P314-F317 WeakPolarHBondContact O-CB 3.08Å; P314-F317 PolarHBondContact O-N 2.89Å
315P83.9Confident83.1Confident21 Ų2190.5 Ų90.514%0.13647%0.467CS..Hα-helixtrans-68.1-3.6-171.1-20.429.9000116.3M242 E289 F317 T318 A319M242-P315 HydrophobicContact CG-CG 4.37Å; E289-P315 HydrophobicContact CG-CB 4.38Å; E289-P315 HydrophobicContact CG-CG 4.29Å; P315-F317 VanDerWaalsContact C-N 3.35Å; P315-T318 WeakPolarHBondContact CA-OG1 3.46Å; P315-T318 PolarHBondContact O-OG1 3.38Å; P315-A319 WeakPolarHBondContact O-CB 3.4Å; P315-A319 PolarHBondContact O-N 3.49Å; P315-A319 VanDerWaalsContact O-N 3.11Å
316S85.6Confident83.6Confident88 Ų8884.8 Ų84.862%0.61545%0.45SS*.Hα-helixtrans-69.9-32165.346.90000112.6P314 G320P314-S316 PolarHBondContact O-N 3.16Å; S316-G320 PolarHBondContact O-N 2.89Å; S316-G320 VanDerWaalsContact O-N 3.15Å
317F86Confident84.5Confident100 Ų10085.6 Ų85.644%0.43945%0.449SS..Hα-helixtrans-74.8-48.6176.4-179.8-108.6000110.7D313 P314 P315 A319 G320 Q321D313-F317 HydrophobicContact CB-CD1 3.75Å; D313-F317 HydrophobicContact CB-CE1 4.45Å; D313-F317 WeakPolarHBondContact OD2-CE1 3.34Å; P314-F317 HydrophobicContact CG-CB 4.3Å; P314-F317 WeakPolarHBondContact O-CB 3.08Å; P314-F317 PolarHBondContact O-N 2.89Å; P315-F317 VanDerWaalsContact C-N 3.35Å; F317-A319 PolarHBondContact O-N 3.19Å; F317-G320 WeakPolarHBondContact O-CA 3.44Å; F317-G320 PolarHBondContact O-N 2.92Å; F317-G320 VanDerWaalsContact O-N 3.1Å; F317-Q321 PolarHBondContact O-N 3.06Å
318T85.1Confident85.4Confident66 Ų6687.4 Ų87.441%0.40546%0.456SS..Hα-helixtrans-62.8-41.9177.564.20000111.9D313 P315 G320 Q321 H322D313-T318 HydrophobicContact CB-CG2 4.15Å; P315-T318 WeakPolarHBondContact CA-OG1 3.46Å; P315-T318 PolarHBondContact O-OG1 3.38Å; T318-G320 VanDerWaalsContact C-N 3.31Å; T318-G320 PolarHBondContact O-N 3.49Å; T318-Q321 PolarHBondContact O-N 2.9Å; T318-H322 WeakPolarHBondContact O-CB 3.42Å; T318-H322 PolarHBondContact O-N 3.28Å
319A85.7Confident86.2Confident59 Ų5991.2 Ų91.249%0.48848%0.475SS..Hα-helixtrans-63.7-34.9173.100000112.9P315 F317 K323P315-A319 WeakPolarHBondContact O-CB 3.4Å; P315-A319 PolarHBondContact O-N 3.49Å; P315-A319 VanDerWaalsContact O-N 3.11Å; F317-A319 PolarHBondContact O-N 3.19Å; A319-K323 WeakPolarHBondContact O-CB 3.38Å; A319-K323 PolarHBondContact O-N 3.49Å
320G88Confident87.3Confident35 Ų3587.7 Ų87.736%0.36146%0.459SS..Hα-helixtrans-62.5-50.1172.400000111.9S316 F317 T318 H322 K323 V324S316-G320 PolarHBondContact O-N 2.89Å; S316-G320 VanDerWaalsContact O-N 3.15Å; F317-G320 WeakPolarHBondContact O-CA 3.44Å; F317-G320 PolarHBondContact O-N 2.92Å; F317-G320 VanDerWaalsContact O-N 3.1Å; T318-G320 VanDerWaalsContact C-N 3.31Å; T318-G320 PolarHBondContact O-N 3.49Å; G320-H322 PolarHBondContact O-N 2.87Å; G320-K323 PolarHBondContact O-N 3.24Å; G320-V324 WeakPolarHBondContact O-CG2 3.49Å; G320-V324 PolarHBondContact O-N 3.38Å; G320-V324 VanDerWaalsContact O-N 3.09Å
321Q85.8Confident88.2Confident88 Ų8887.9 Ų87.941%0.41146%0.46SS..Hα-helixtrans-61-42.7175.2-68.4-166.3300112.4F317 T318 K323 V324 K325F317-Q321 PolarHBondContact O-N 3.06Å; T318-Q321 PolarHBondContact O-N 2.9Å; Q321-K323 VanDerWaalsContact C-N 3.33Å; Q321-K323 PolarHBondContact O-N 3.39Å; Q321-V324 PolarHBondContact O-N 2.91Å; Q321-K325 WeakPolarHBondContact O-CG 3.2Å; Q321-K325 PolarHBondContact O-N 3.18Å
322H86Confident88.9Confident124 Ų12485.1 Ų85.157%0.57445%0.447SS*.Hα-helixtrans-62.7-40.2177.8-169.6-74.1000111.5T318 G320 K325 M326T318-H322 WeakPolarHBondContact O-CB 3.42Å; T318-H322 PolarHBondContact O-N 3.28Å; G320-H322 PolarHBondContact O-N 2.87Å; H322-K325 PolarHBondContact O-N 3.5Å; H322-M326 VanDerWaalsContact O-CB 3.28Å; H322-M326 WeakPolarHBondContact O-CB 3.41Å; H322-M326 PolarHBondContact O-N 3.38Å
323K92.2Very high89.6Confident120 Ų12088.8 Ų88.852%0.52246%0.464SS..Hα-helixtrans-61.8-44.1174.7-172.9-178.1176.7-172.60111.8A319 G320 Q321 M326 Q327A319-K323 WeakPolarHBondContact O-CB 3.38Å; A319-K323 PolarHBondContact O-N 3.49Å; G320-K323 PolarHBondContact O-N 3.24Å; Q321-K323 VanDerWaalsContact C-N 3.33Å; Q321-K323 PolarHBondContact O-N 3.39Å; K323-M326 PolarHBondContact O-N 2.82Å; K323-Q327 WeakPolarHBondContact O-CG 3.21Å; K323-Q327 PolarHBondContact O-N 3.01Å
324V92.7Very high90.2Very high76 Ų7686.5 Ų86.546%0.46146%0.458SS..Hα-helixtrans-63.5-45.2177.3173.70000111.3G320 Q321 M326 Q327 Q328G320-V324 WeakPolarHBondContact O-CG2 3.49Å; G320-V324 PolarHBondContact O-N 3.38Å; G320-V324 VanDerWaalsContact O-N 3.09Å; Q321-V324 PolarHBondContact O-N 2.91Å; V324-M326 PolarHBondContact O-N 3.1Å; V324-Q327 PolarHBondContact O-N 3.19Å; V324-Q328 WeakPolarHBondContact O-CG 3.26Å; V324-Q328 PolarHBondContact O-N 2.89Å
325K92.4Very high90.6Very high121 Ų12190.8 Ų90.853%0.52647%0.47SS..Hα-helixtrans-61-42.2176-72.1175.5179.8178.10112.4Q321 H322 Q328 L329Q321-K325 WeakPolarHBondContact O-CG 3.2Å; Q321-K325 PolarHBondContact O-N 3.18Å; H322-K325 PolarHBondContact O-N 3.5Å; K325-Q328 WeakPolarHBondContact O-CB 3.09Å; K325-Q328 PolarHBondContact O-N 3.27Å; K325-L329 WeakPolarHBondContact O-CG 3.25Å; K325-L329 PolarHBondContact O-N 2.9Å
326M92.6Very high91.1Very high85 Ų8594.9 Ų94.942%0.41949%0.485SS..Hα-helixtrans-62.8-43.7176.5-175.8165.457.700111.5H322 K323 V324 Q328 L329 E330H322-M326 VanDerWaalsContact O-CB 3.28Å; H322-M326 WeakPolarHBondContact O-CB 3.41Å; H322-M326 PolarHBondContact O-N 3.38Å; K323-M326 PolarHBondContact O-N 2.82Å; V324-M326 PolarHBondContact O-N 3.1Å; M326-Q328 VanDerWaalsContact C-N 3.33Å; M326-Q328 PolarHBondContact O-N 3.11Å; M326-L329 PolarHBondContact O-N 3.38Å; M326-E330 WeakPolarHBondContact O-CG 3.43Å; M326-E330 PolarHBondContact O-N 2.81Å
327Q92.9Very high91.5Very high82 Ų8295.9 Ų95.938%0.38348%0.483SS..Hα-helixtrans-64-34.8175-72.2178-42.500113K323 V324 Q331K323-Q327 WeakPolarHBondContact O-CG 3.21Å; K323-Q327 PolarHBondContact O-N 3.01Å; V324-Q327 PolarHBondContact O-N 3.19Å; Q327-Q331 WeakPolarHBondContact O-CB 3.47Å; Q327-Q331 VanDerWaalsContact O-CG 3.26Å; Q327-Q331 WeakPolarHBondContact O-CG 3.47Å; Q327-Q331 PolarHBondContact O-N 3.03Å
328Q94.3Very high91.8Very high114 Ų11496.3 Ų96.353%0.53349%0.49SS..Hα-helixtrans-66.2-40.4173-72.2169.8-19.600111.9V324 K325 M326 Q331 E332V324-Q328 WeakPolarHBondContact O-CG 3.26Å; V324-Q328 PolarHBondContact O-N 2.89Å; K325-Q328 WeakPolarHBondContact O-CB 3.09Å; K325-Q328 PolarHBondContact O-N 3.27Å; M326-Q328 VanDerWaalsContact C-N 3.33Å; M326-Q328 PolarHBondContact O-N 3.11Å; Q328-Q331 PolarHBondContact O-N 3.25Å; Q328-E332 WeakPolarHBondContact O-CB 3.2Å; Q328-E332 PolarHBondContact O-N 3.48Å
329L94.1Very high92.3Very high127 Ų12798.2 Ų98.267%0.66549%0.494SS*.Hα-helixtrans-68.3-38.8175.3-69.7170.8000112.1K325 M326 E332 L333K325-L329 WeakPolarHBondContact O-CG 3.25Å; K325-L329 PolarHBondContact O-N 2.9Å; M326-L329 PolarHBondContact O-N 3.38Å; L329-E332 PolarHBondContact O-N 3.45Å; L329-L333 VanDerWaalsContact O-CB 3.26Å; L329-L333 WeakPolarHBondContact O-CB 3.35Å; L329-L333 PolarHBondContact O-N 3.08Å
330E93.7Very high92.7Very high114 Ų11498.8 Ų98.853%0.53349%0.492SS..Hα-helixtrans-62.1-42.5173-73.4169.2170.100111.6M326 L333 A334M326-E330 WeakPolarHBondContact O-CG 3.43Å; M326-E330 PolarHBondContact O-N 2.81Å; E330-L333 PolarHBondContact O-N 3.31Å; E330-A334 WeakPolarHBondContact O-CB 3.46Å; E330-A334 PolarHBondContact O-N 2.78Å
331Q93.6Very high93Very high137 Ų137103.4 Ų103.464%0.6450%0.504SS*.Hα-helixtrans-65.9-42.5175.9-75.5171.7200112.6Q327 Q328 A334 R335Q327-Q331 WeakPolarHBondContact O-CB 3.47Å; Q327-Q331 VanDerWaalsContact O-CG 3.26Å; Q327-Q331 WeakPolarHBondContact O-CG 3.47Å; Q327-Q331 PolarHBondContact O-N 3.03Å; Q328-Q331 PolarHBondContact O-N 3.25Å; Q331-A334 PolarHBondContact O-N 3.23Å; Q331-R335 WeakPolarHBondContact O-CB 3.38Å; Q331-R335 PolarHBondContact O-N 2.96Å
332E94.4Very high93.3Very high67 Ų67100.8 Ų100.831%0.31350%0.5SS..Hα-helixtrans-69.7-33.5177.1-179.961.3-172.100112Q328 L329 R335 K336Q328-E332 WeakPolarHBondContact O-CB 3.2Å; Q328-E332 PolarHBondContact O-N 3.48Å; L329-E332 PolarHBondContact O-N 3.45Å; E332-R335 IonicContact OE1-CZ 3.13Å; E332-R335 IonicContact OE1-NE 2.93Å; E332-R335 IonicContact OE1-NH2 3.69Å; E332-R335 PolarHBondContact OE1-NH2 3.23Å; E332-R335 IonicContact OE2-CZ 2.83Å; E332-R335 IonicContact OE2-NE 2.76Å; E332-R335 PolarHBondContact OE2-NE 3.46Å; E332-R335 IonicContact OE2-NH2 2.68Å; E332-R335 PolarHBondContact OE2-NH2 2.85Å; E332-K336 WeakPolarHBondContact O-CG 3.29Å; E332-K336 PolarHBondContact O-N 2.76Å; E332-K336 VanDerWaalsContact O-N 3.12Å; E332-K336 WeakPolarHBondContact OE1-CE 3.37Å; E332-K336 IonicContact OE1-NZ 3.82Å
333L94.8Very high93.7Very high109 Ų10999.9 Ų99.957%0.57150%0.496SS*.Hα-helixtrans-66.7-45.7172.4-174.667.5000111L329 E330 R335 K336 L337L329-L333 VanDerWaalsContact O-CB 3.26Å; L329-L333 WeakPolarHBondContact O-CB 3.35Å; L329-L333 PolarHBondContact O-N 3.08Å; E330-L333 PolarHBondContact O-N 3.31Å; L333-R335 PolarHBondContact O-N 3.18Å; L333-K336 PolarHBondContact O-N 3.35Å; L333-L337 HydrophobicContact CG-CD1 4.35Å; L333-L337 WeakPolarHBondContact O-CG 3.47Å; L333-L337 PolarHBondContact O-N 3.34Å
334A94.1Very high93.8Very high47 Ų4799.1 Ų99.139%0.38850%0.497SS..Hα-helixtrans-58.9-47.2174.900000111.5E330 Q331 K336 L337 D338E330-A334 WeakPolarHBondContact O-CB 3.46Å; E330-A334 PolarHBondContact O-N 2.78Å; Q331-A334 PolarHBondContact O-N 3.23Å; A334-K336 VanDerWaalsContact C-N 3.26Å; A334-K336 PolarHBondContact O-N 3.47Å; A334-L337 WeakPolarHBondContact O-CB 3.44Å; A334-L337 PolarHBondContact O-N 3.28Å; A334-D338 PolarHBondContact O-N 3.16Å
335R93.9Very high93.8Very high127 Ų12798 Ų9848%0.47949%0.492SS..Hα-helixtrans-56.3-39176.5-169.5-179.275.378.22.4112.7Q331 E332 L333 E339Q331-R335 WeakPolarHBondContact O-CB 3.38Å; Q331-R335 PolarHBondContact O-N 2.96Å; E332-R335 IonicContact OE1-CZ 3.13Å; E332-R335 IonicContact OE1-NE 2.93Å; E332-R335 IonicContact OE1-NH2 3.69Å; E332-R335 PolarHBondContact OE1-NH2 3.23Å; E332-R335 IonicContact OE2-CZ 2.83Å; E332-R335 IonicContact OE2-NE 2.76Å; E332-R335 PolarHBondContact OE2-NE 3.46Å; E332-R335 IonicContact OE2-NH2 2.68Å; E332-R335 PolarHBondContact OE2-NH2 2.85Å; L333-R335 PolarHBondContact O-N 3.18Å; R335-E339 IonicContact NH1-OE2 3.58Å; R335-E339 WeakPolarHBondContact O-CB 3.49Å; R335-E339 PolarHBondContact O-N 3.35Å; R335-E339 VanDerWaalsContact O-N 3.08Å
336K94.4Very high93.8Very high107 Ų10796.2 Ų96.247%0.46549%0.494SS..Hα-helixtrans-73.6-33176.2-74177.4-178-179.20113.2E332 L333 A334 E339 V340E332-K336 WeakPolarHBondContact O-CG 3.29Å; E332-K336 PolarHBondContact O-N 2.76Å; E332-K336 VanDerWaalsContact O-N 3.12Å; E332-K336 WeakPolarHBondContact OE1-CE 3.37Å; E332-K336 IonicContact OE1-NZ 3.82Å; L333-K336 PolarHBondContact O-N 3.35Å; A334-K336 VanDerWaalsContact C-N 3.26Å; A334-K336 PolarHBondContact O-N 3.47Å; K336-E339 PolarHBondContact O-N 3.43Å; K336-V340 WeakPolarHBondContact O-CB 3.49Å; K336-V340 VanDerWaalsContact O-CG2 3.31Å; K336-V340 WeakPolarHBondContact O-CG2 3.4Å; K336-V340 PolarHBondContact O-N 2.88Å
337L94.3Very high93.8Very high108 Ų10899.1 Ų99.157%0.56550%0.501SS*.Hα-helixtrans-67.2-43.2173.2-70.2170.3000110.7L333 A334 E339 V340 E341L333-L337 HydrophobicContact CG-CD1 4.35Å; L333-L337 WeakPolarHBondContact O-CG 3.47Å; L333-L337 PolarHBondContact O-N 3.34Å; A334-L337 WeakPolarHBondContact O-CB 3.44Å; A334-L337 PolarHBondContact O-N 3.28Å; L337-E339 VanDerWaalsContact C-N 3.33Å; L337-E339 PolarHBondContact O-N 3.25Å; L337-V340 PolarHBondContact O-N 3.42Å; L337-E341 WeakPolarHBondContact O-CB 3.4Å; L337-E341 PolarHBondContact O-N 3.29Å
338D93.3Very high93.7Very high109 Ų109102 Ų10258%0.58351%0.513SS*.Hα-helixtrans-61.1-40.2174.2-62.3-19.9000111.7A334 G342A334-D338 PolarHBondContact O-N 3.16Å; D338-G342 PolarHBondContact O-N 3.17Å
339E94.6Very high93.6Very high106 Ų106102.8 Ų102.850%0.49552%0.517SS..Hα-helixtrans-63.2-47.9176.4-172.5164.2-150.800111.3R335 K336 L337 G342 E343R335-E339 IonicContact NH1-OE2 3.58Å; R335-E339 WeakPolarHBondContact O-CB 3.49Å; R335-E339 PolarHBondContact O-N 3.35Å; R335-E339 VanDerWaalsContact O-N 3.08Å; K336-E339 PolarHBondContact O-N 3.43Å; L337-E339 VanDerWaalsContact C-N 3.33Å; L337-E339 PolarHBondContact O-N 3.25Å; E339-G342 PolarHBondContact O-N 3.07Å; E339-E343 PolarHBondContact O-N 3.03Å
340V95.5Very high93.6Very high72 Ų72102.7 Ų102.744%0.43651%0.513SS..Hα-helixtrans-68-38.1177.21710000112.4K336 L337 G342 E343 I344K336-V340 WeakPolarHBondContact O-CB 3.49Å; K336-V340 VanDerWaalsContact O-CG2 3.31Å; K336-V340 WeakPolarHBondContact O-CG2 3.4Å; K336-V340 PolarHBondContact O-N 2.88Å; L337-V340 PolarHBondContact O-N 3.42Å; V340-G342 VanDerWaalsContact C-N 3.31Å; V340-G342 PolarHBondContact O-N 3.05Å; V340-E343 PolarHBondContact O-N 3.32Å; V340-I344 HydrophobicContact CG1-CD1 3.8Å; V340-I344 HydrophobicContact CG1-CG1 4.42Å; V340-I344 WeakPolarHBondContact O-CB 3.19Å; V340-I344 WeakPolarHBondContact O-CD1 3.44Å; V340-I344 VanDerWaalsContact O-CG1 3.24Å; V340-I344 WeakPolarHBondContact O-CG1 3.45Å; V340-I344 PolarHBondContact O-N 2.83Å
341E93.6Very high93.5Very high131 Ų131102.4 Ų102.461%0.61251%0.514SS*.Hα-helixtrans-66-35.4174.5-174.7168.7-170.700111.5L337 S345L337-E341 WeakPolarHBondContact O-CB 3.4Å; L337-E341 PolarHBondContact O-N 3.29Å; E341-S345 WeakPolarHBondContact O-CB 3.42Å; E341-S345 PolarHBondContact O-N 3.27Å; E341-S345 PolarHBondContact O-OG 3.12Å
342G92.1Very high93.3Very high33 Ų33102 Ų10234%0.3451%0.512SS..Hα-helixtrans-61.2-49.7169.500000112.6D338 E339 V340 I344 S345 C346D338-G342 PolarHBondContact O-N 3.17Å; E339-G342 PolarHBondContact O-N 3.07Å; V340-G342 VanDerWaalsContact C-N 3.31Å; V340-G342 PolarHBondContact O-N 3.05Å; G342-I344 PolarHBondContact O-N 2.97Å; G342-S345 WeakPolarHBondContact O-CB 3.49Å; G342-S345 PolarHBondContact O-N 2.95Å; G342-C346 PolarHBondContact O-N 3.1Å; G342-C346 PolarHBondContact O-SG 3.42Å
343E94.4Very high93.1Very high105 Ų105102.2 Ų102.249%0.49152%0.518SS..Hα-helixtrans-58.5-47.7175.9-72.1-178.3172.600111.9E339 V340 S345 C346 Y347E339-E343 PolarHBondContact O-N 3.03Å; V340-E343 PolarHBondContact O-N 3.32Å; E343-S345 VanDerWaalsContact C-N 3.28Å; E343-S345 PolarHBondContact O-N 3.47Å; E343-C346 PolarHBondContact O-N 2.85Å; E343-Y347 HydrophobicContact CB-CE2 4.31Å; E343-Y347 WeakPolarHBondContact O-CD2 3.4Å; E343-Y347 PolarHBondContact O-N 3.34Å
344I93.6Very high92.9Very high104 Ų104102.1 Ų102.153%0.53351%0.514SS..Hα-helixtrans-58.6-40.5176-69.7165.6000111.1V340 G342 Y347 K348V340-I344 HydrophobicContact CG1-CD1 3.8Å; V340-I344 HydrophobicContact CG1-CG1 4.42Å; V340-I344 WeakPolarHBondContact O-CB 3.19Å; V340-I344 WeakPolarHBondContact O-CD1 3.44Å; V340-I344 VanDerWaalsContact O-CG1 3.24Å; V340-I344 WeakPolarHBondContact O-CG1 3.45Å; V340-I344 PolarHBondContact O-N 2.83Å; G342-I344 PolarHBondContact O-N 2.97Å; I344-Y347 PolarHBondContact O-N 3.37Å; I344-K348 WeakPolarHBondContact O-CB 3.38Å; I344-K348 PolarHBondContact O-N 2.93Å
345S93.6Very high92.3Very high53 Ų53104.8 Ų104.837%0.37152%0.522SS..Hα-helixtrans-66.5-42.7177.9-61.30000111.9E341 G342 E343 K348 E349E341-S345 WeakPolarHBondContact O-CB 3.42Å; E341-S345 PolarHBondContact O-N 3.27Å; E341-S345 PolarHBondContact O-OG 3.12Å; G342-S345 WeakPolarHBondContact O-CB 3.49Å; G342-S345 PolarHBondContact O-N 2.95Å; E343-S345 VanDerWaalsContact C-N 3.28Å; E343-S345 PolarHBondContact O-N 3.47Å; S345-K348 WeakPolarHBondContact O-CB 3.39Å; S345-K348 PolarHBondContact O-N 3.19Å; S345-E349 PolarHBondContact O-N 2.92Å
346C91.8Very high91.7Very high83 Ų83103.5 Ų103.556%0.56152%0.521SS*.Hα-helixtrans-61.3-45.5173.8-70.20000112.1G342 E343 K348 E349 E350G342-C346 PolarHBondContact O-N 3.1Å; G342-C346 PolarHBondContact O-SG 3.42Å; E343-C346 PolarHBondContact O-N 2.85Å; C346-K348 VanDerWaalsContact C-N 3.3Å; C346-K348 PolarHBondContact O-N 3.44Å; C346-E349 PolarHBondContact O-N 2.94Å; C346-E350 WeakPolarHBondContact O-CB 3.45Å; C346-E350 PolarHBondContact O-N 3.22Å
347Y92.1Very high91.2Very high146 Ų146104.1 Ų104.157%0.57352%0.524SS*.Hα-helixtrans-62.2-37.5175.2-69.3-51.9000112.2E343 I344 E350 I351E343-Y347 HydrophobicContact CB-CE2 4.31Å; E343-Y347 WeakPolarHBondContact O-CD2 3.4Å; E343-Y347 PolarHBondContact O-N 3.34Å; I344-Y347 PolarHBondContact O-N 3.37Å; Y347-E350 PolarHBondContact O-N 2.86Å; Y347-I351 WeakPolarHBondContact O-CB 3.37Å; Y347-I351 WeakPolarHBondContact O-CD1 3.34Å; Y347-I351 WeakPolarHBondContact O-CG1 3.46Å; Y347-I351 PolarHBondContact O-N 3.3Å
348K92.1Very high90.5Very high143 Ų143102.8 Ų102.862%0.62252%0.524SS*.Hα-helixtrans-64.2-46.4176.3-175.8-175.6174.5-170.60112.1I344 S345 C346 I351 E352I344-K348 WeakPolarHBondContact O-CB 3.38Å; I344-K348 PolarHBondContact O-N 2.93Å; S345-K348 WeakPolarHBondContact O-CB 3.39Å; S345-K348 PolarHBondContact O-N 3.19Å; C346-K348 VanDerWaalsContact C-N 3.3Å; C346-K348 PolarHBondContact O-N 3.44Å; K348-I351 PolarHBondContact O-N 3.32Å; K348-E352 WeakPolarHBondContact O-CB 3.34Å; K348-E352 PolarHBondContact O-N 3.44Å
349E91.9Very high89.7Confident131 Ų131105.3 Ų105.361%0.61253%0.525SS*.Hα-helixtrans-64.2-39.2175.5-71.9-176.7-178.300111.9S345 C346 E352 T353S345-E349 PolarHBondContact O-N 2.92Å; C346-E349 PolarHBondContact O-N 2.94Å; E349-E352 PolarHBondContact O-N 3.24Å; E349-T353 VanDerWaalsContact O-CG2 3.28Å; E349-T353 WeakPolarHBondContact O-CG2 3.45Å; E349-T353 PolarHBondContact O-N 3.49Å; E349-T353 PolarHBondContact O-OG1 2.92Å
350E93.4Very high88.6Confident124 Ų124105.9 Ų105.958%0.57954%0.538SS*.Hα-helixtrans-63.6-44.8175.8-172.4161.6-147.700111.5C346 Y347 T353 E354C346-E350 WeakPolarHBondContact O-CB 3.45Å; C346-E350 PolarHBondContact O-N 3.22Å; Y347-E350 PolarHBondContact O-N 2.86Å; E350-T353 PolarHBondContact O-N 2.9Å; E350-T353 PolarHBondContact O-OG1 3.05Å; E350-T353 VanDerWaalsContact O-OG1 3.06Å; E350-E354 WeakPolarHBondContact O-CB 3.45Å; E350-E354 PolarHBondContact O-N 3.42Å
351I91.5Very high87Confident109 Ų109111 Ų11156%0.55955%0.554SS**Hα-helixtrans-60.5-46.2173.8-70.2163.4000111.3Y347 K348 E354 L355Y347-I351 WeakPolarHBondContact O-CB 3.37Å; Y347-I351 WeakPolarHBondContact O-CD1 3.34Å; Y347-I351 WeakPolarHBondContact O-CG1 3.46Å; Y347-I351 PolarHBondContact O-N 3.3Å; K348-I351 PolarHBondContact O-N 3.32Å; I351-E354 PolarHBondContact O-N 2.95Å; I351-L355 HydrophobicContact CG2-CD1 3.83Å; I351-L355 WeakPolarHBondContact O-CB 3.46Å; I351-L355 WeakPolarHBondContact O-CG 3.26Å; I351-L355 PolarHBondContact O-N 2.93Å
352E90.2Very high85.4Confident128 Ų128111.6 Ų111.660%0.59856%0.561SS**Hα-helixtrans-66-40.9-179.3-174.5161.8-14800112K348 E349 E354 L355 E356K348-E352 WeakPolarHBondContact O-CB 3.34Å; K348-E352 PolarHBondContact O-N 3.44Å; E349-E352 PolarHBondContact O-N 3.24Å; E352-E354 PolarHBondContact O-N 2.87Å; E352-L355 PolarHBondContact O-N 3.27Å; E352-E356 WeakPolarHBondContact O-CB 3.36Å; E352-E356 PolarHBondContact O-N 3.23Å
353T89.8Confident83.9Confident72 Ų72121.8 Ų121.844%0.44259%0.589SS.*Hα-helixtrans-69.1-32.1175.762.90000112.9E349 E350 E356 K357E349-T353 VanDerWaalsContact O-CG2 3.28Å; E349-T353 WeakPolarHBondContact O-CG2 3.45Å; E349-T353 PolarHBondContact O-N 3.49Å; E349-T353 PolarHBondContact O-OG1 2.92Å; E350-T353 PolarHBondContact O-N 2.9Å; E350-T353 PolarHBondContact O-OG1 3.05Å; E350-T353 VanDerWaalsContact O-OG1 3.06Å; T353-E356 PolarHBondContact O-N 3.49Å; T353-K357 WeakPolarHBondContact O-CE 3.36Å; T353-K357 WeakPolarHBondContact O-CG 3.27Å; T353-K357 PolarHBondContact O-N 3.28Å; T353-K357 PolarHBondContact OG1-NZ 2.93Å
354E89.8Confident82.2Confident106 Ų106119.3 Ų119.350%0.49559%0.592SS.*Hα-helixtrans-76.2-33175.5-154.160.2-138.200112E350 I351 E352 K357 S358E350-E354 WeakPolarHBondContact O-CB 3.45Å; E350-E354 PolarHBondContact O-N 3.42Å; I351-E354 PolarHBondContact O-N 2.95Å; E352-E354 PolarHBondContact O-N 2.87Å; E354-K357 PolarHBondContact O-N 3.12Å; E354-K357 WeakPolarHBondContact OE2-CD 3.42Å; E354-K357 IonicContact OE2-NZ 3.01Å; E354-K357 PolarHBondContact OE2-NZ 3.02Å; E354-S358 WeakPolarHBondContact O-CB 3.45Å; E354-S358 PolarHBondContact O-N 2.87Å; E354-S358 PolarHBondContact O-OG 2.84Å
355L82.8Confident80.3Confident103 Ų103121.5 Ų121.554%0.53960%0.603SS.*Hα-helixtrans-61-42.8166.1-79164.2000111.6I351 E352 S358 R359I351-L355 HydrophobicContact CG2-CD1 3.83Å; I351-L355 WeakPolarHBondContact O-CB 3.46Å; I351-L355 WeakPolarHBondContact O-CG 3.26Å; I351-L355 PolarHBondContact O-N 2.93Å; E352-L355 PolarHBondContact O-N 3.27Å; L355-S358 WeakPolarHBondContact CA-OG 3.28Å; L355-S358 PolarHBondContact O-N 2.68Å; L355-S358 PolarHBondContact O-OG 2.91Å; L355-R359 WeakPolarHBondContact O-CG 3.48Å; L355-R359 PolarHBondContact O-N 3.46Å
356E81.6Confident78.4Confident101 Ų101127.9 Ų127.947%0.47262%0.62SS.*Hα-helixtrans-70.7-31.1177.7-168.257.2-142.500113E352 T353 R359E352-E356 WeakPolarHBondContact O-CB 3.36Å; E352-E356 PolarHBondContact O-N 3.23Å; T353-E356 PolarHBondContact O-N 3.49Å; E356-R359 WeakPolarHBondContact OE2-CD 3.48Å; E356-R359 IonicContact OE2-CZ 3.83Å; E356-R359 IonicContact OE2-NE 3.2Å; E356-R359 IonicContact OE2-NH1 3.42Å; E356-R359 PolarHBondContact OE2-NH1 3.46Å
357K84.1Confident76.6Confident120 Ų120126.3 Ų126.352%0.52261%0.614SS.*Hα-helixtrans-70-37.7171.4-71.2164.8-148.3138.40112.4T353 E354T353-K357 WeakPolarHBondContact O-CE 3.36Å; T353-K357 WeakPolarHBondContact O-CG 3.27Å; T353-K357 PolarHBondContact O-N 3.28Å; T353-K357 PolarHBondContact OG1-NZ 2.93Å; E354-K357 PolarHBondContact O-N 3.12Å; E354-K357 WeakPolarHBondContact OE2-CD 3.42Å; E354-K357 IonicContact OE2-NZ 3.01Å; E354-K357 PolarHBondContact OE2-NZ 3.02Å
358S78.1Confident74.7Confident80 Ų80122.6 Ų122.656%0.55961%0.613SS**Hα-helixtrans-84.2-14.1-178.557.90000114E354 L355E354-S358 WeakPolarHBondContact O-CB 3.45Å; E354-S358 PolarHBondContact O-N 2.87Å; E354-S358 PolarHBondContact O-OG 2.84Å; L355-S358 WeakPolarHBondContact CA-OG 3.28Å; L355-S358 PolarHBondContact O-N 2.68Å; L355-S358 PolarHBondContact O-OG 2.91Å
359R77.1Confident72.9Confident161 Ų161124.9 Ų124.961%0.60862%0.619SS**SBendtrans-54.6126.6170.4-93.9173.2169.7169.10.2111.6L355 E356 K361L355-R359 WeakPolarHBondContact O-CG 3.48Å; L355-R359 PolarHBondContact O-N 3.46Å; E356-R359 WeakPolarHBondContact OE2-CD 3.48Å; E356-R359 IonicContact OE2-CZ 3.83Å; E356-R359 IonicContact OE2-NE 3.2Å; E356-R359 IonicContact OE2-NH1 3.42Å; E356-R359 PolarHBondContact OE2-NH1 3.46Å; R359-K361 PolarHBondContact O-N 2.86Å
360P72.4Confident71.2Confident119 Ų119123 Ų12377%0.77363%0.625SS**  trans-63110.8179.1-23.433.8000112.1L362P360-L362 PolarHBondContact O-N 3.17Å
361K62.1Low69.2Low179 Ų179126 Ų12678%0.77864%0.637SS**  trans-69.694.5173.1-70.3177.4-178.5171.30110.1R359 R363R359-K361 PolarHBondContact O-N 2.86Å; K361-R363 PolarHBondContact O-N 2.76Å
362L58.4Low67Low144 Ų144129.3 Ų129.375%0.75465%0.65SS**  trans-52.4101.4170.9-84.3145.9000110.3P360P360-L362 PolarHBondContact O-N 3.17Å
363R60.3Low64.6Low246 Ų246130.7 Ų130.793%0.92866%0.658SS**  trans-105.1132.6170.4-94.3-162.6-179.1-95.75.3110.2K361K361-R363 PolarHBondContact O-N 2.76Å
364G60.3Low62.2Low54 Ų54134.2 Ų134.256%0.55767%0.674SS**SBendtrans126.7-170.4176.300000112.1Y366 A367G364-Y366 PolarHBondContact O-N 3.27Å; G364-A367 WeakPolarHBondContact O-CB 3.33Å; G364-A367 PolarHBondContact O-N 3.04Å
365I52.3Low60.3Low150 Ų150135.1 Ų135.177%0.76969%0.689SS**G310 helixtrans-57.4-28.4-167.6-62.2161000112.9A367I365-A367 VanDerWaalsContact C-N 3.3Å; I365-A367 PolarHBondContact O-N 3.26Å
366Y54Low58.5Low186 Ų186138 Ų13873%0.72970%0.7SS**G310 helixtrans-72.4-14.1179-72.3-84.9000115.2G364 A368G364-Y366 PolarHBondContact O-N 3.27Å; Y366-A368 PolarHBondContact O-N 3.09Å
367A54.3Low56.6Low51 Ų51140.8 Ų140.842%0.42172%0.718SS.*G310 helixtrans-71.8-14177.800000113.8G364 I365G364-A367 WeakPolarHBondContact O-CB 3.33Å; G364-A367 PolarHBondContact O-N 3.04Å; I365-A367 VanDerWaalsContact C-N 3.3Å; I365-A367 PolarHBondContact O-N 3.26Å
368A53Low54.5Low67 Ų67143.4 Ų143.455%0.55473%0.732SS**G310 helixtrans-74.7-34.5177.500000112.8Y366 A370 K371Y366-A368 PolarHBondContact O-N 3.09Å; A368-A370 PolarHBondContact O-N 3.35Å; A368-K371 PolarHBondContact O-N 3.04Å
369Y54.3Low52.9Low192 Ų192146.7 Ų146.775%0.75374%0.744SS**THydrogen-bonded Turntrans-69.1-17.3-177.2-76.5-83.4000114.2
370A55Low51.2Low90 Ų90145.6 Ų145.674%0.74476%0.755SS**THydrogen-bonded Turntrans-89.93.1178.700000113.7A368A368-A370 PolarHBondContact O-N 3.35Å
371K51.2Low49.4Very low187 Ų187148.2 Ų148.281%0.81376%0.761SS**SBendtrans-117.12.3-173.7-146.2178.7-178.9-178.30114.8A368A368-K371 PolarHBondContact O-N 3.04Å
372E46.4Very low48.3Very low180 Ų180144.8 Ų144.884%0.84176%0.759SS**  trans-119.976.3171.7-69.7-176-164.300109
373M40.1Very low47.2Very low157 Ų157143.2 Ų143.277%0.77376%0.761SS**  trans-134.3101.4154.9-68.2-163.386.200107.2
374D38.2Very low46.4Very low146 Ų146137 Ų13778%0.78175%0.752SS**  trans-68.9150.8162.8-93.2-55.7000109.1E376D374-E376 PolarHBondContact O-N 2.72Å; D374-E376 VanDerWaalsContact O-N 3.12Å
375P51.3Low44.9Very low124 Ų124140.1 Ų140.181%0.80577%0.765SS**SBendtrans-8732.4-17137.5-38000113.5
376E44.1Very low43.8Very low164 Ų164140.9 Ų140.977%0.76677%0.771SS**SBendtrans-134.4135.6179.6-59.9-175.4179.400107.4D374D374-E376 PolarHBondContact O-N 2.72Å; D374-E376 VanDerWaalsContact O-N 3.12Å
377D41.4Very low43.4Very low160 Ų160137.4 Ų137.486%0.85677%0.771SS**  trans80.358.3-172.9-54.4-27.8000118.2
378E40.9Very low42.6Very low174 Ų174143.8 Ų143.881%0.81379%0.793SS**  trans-11740.3153.8-102-75.215800110.9
379D43.2Very low42.2Very low150 Ų150148 Ų14880%0.80281%0.806SS**  trans-112.2144.6159.8-99.8-48.7000107.7
380V41.9Very low41.6Very low138 Ų138148.9 Ų148.984%0.83681%0.813SS**  trans79.366.9-178-160.30000116
381L35.2Very low40.9Very low174 Ų174154 Ų15491%0.91182%0.822SS**  trans-141.476.6140-111.6166.4000112
382S37.7Very low40.5Very low106 Ų106146.9 Ų146.974%0.74180%0.802SS**  trans-136.7123.9161.7-62.50000106.6
383S35.4Very low40.5Very low111 Ų111145 Ų14578%0.77680%0.797SS**  158.8175.790.8-86.70000108.2
384P44.5Very low41.3Very low115 Ų115143.9 Ų143.975%0.74779%0.794SS**  cis-127.1157.2-15.529.6-11.4000114.2
385S29Very low42.3Very low120 Ų120139.9 Ų139.984%0.83978%0.782SS**  trans-151.8137.8147.8-68.40000107.2
386D28.3Very low42.8Very low167 Ų167139.6 Ų139.689%0.89377%0.773SS**  trans-66.2159.2-166.9-79.5-62000114.7
387P45.1Very low43.8Very low113 Ų113137.6 Ų137.673%0.73477%0.767SS**  trans-114.4103.4-156.436.4-21.6000113.4
388E39.3Very low44.7Very low185 Ų185136.2 Ų136.286%0.86476%0.756SS**  trans-135.1144.8158.5-66.2-171.9140.600108.9
389D43.8Very low46.1Very low155 Ų155130 Ų13083%0.82973%0.734SS**SBendtrans63.677.3169.9-54-26.6000120.1
390K42Very low47.3Very low210 Ų210125 Ų12591%0.91371%0.714SS**  trans-159.545.3148.7-79-141.5178.8-174.40115.4
391E40.3Very low48.4Very low199 Ų199121 Ų12193%0.9370%0.695SS**SBendtrans-121.816.4179.7-139.6167.4-157.100113.9
392G42Very low50Low37 Ų37118.7 Ų118.738%0.38168%0.679SS.*SBendtrans-96.9-40.2-176.900000116.1D394 A395 D396G392-D394 PolarHBondContact O-N 2.68Å; G392-A395 PolarHBondContact O-N 2.91Å; G392-D396 PolarHBondContact O-N 3.49Å
393D47.7Very low51.5Low140 Ų140121.8 Ų121.875%0.74968%0.675SS**Hα-helixtrans-70.2-30.7-159.3-66.8-19.1000114.9L397D393-L397 WeakPolarHBondContact O-CB 3.31Å; D393-L397 PolarHBondContact O-N 2.91Å
394D56.7Low53.1Low133 Ų133122.4 Ų122.471%0.71167%0.669SS**Hα-helixtrans-77.6-33.6-178.8-114.6-16000112.6G392 L397 Q398G392-D394 PolarHBondContact O-N 2.68Å; D394-L397 PolarHBondContact O-N 3.33Å; D394-Q398 WeakPolarHBondContact O-CB 3.49Å; D394-Q398 PolarHBondContact O-N 3.32Å
395A58.8Low54.4Low63 Ų63121 Ų12152%0.52166%0.658SS.*Hα-helixtrans-67.8-40.7177.200000111.3G392 Q398 A399G392-A395 PolarHBondContact O-N 2.91Å; A395-Q398 PolarHBondContact O-N 3.45Å; A395-A399 VanDerWaalsContact O-CB 3.27Å; A395-A399 WeakPolarHBondContact O-CB 3.3Å; A395-A399 PolarHBondContact O-N 3.47Å
396D61.3Low56.1Low117 Ų117121.2 Ų121.263%0.62665%0.646SS**Hα-helixtrans-68.5-35.7175.5-78.5-19.7000111.9G392 A400G392-D396 PolarHBondContact O-N 3.49Å; D396-A400 WeakPolarHBondContact O-CB 3.38Å; D396-A400 PolarHBondContact O-N 3.36Å
397L64.6Low58Low122 Ų122117.6 Ų117.664%0.63963%0.626SS**Hα-helixtrans-66.6-42175-150.876.3000111.9D393 D394 A400 A401D393-L397 WeakPolarHBondContact O-CB 3.31Å; D393-L397 PolarHBondContact O-N 2.91Å; D394-L397 PolarHBondContact O-N 3.33Å; L397-A400 PolarHBondContact O-N 2.69Å; L397-A401 PolarHBondContact O-N 2.88Å
398Q60.4Low59.1Low132 Ų132118.8 Ų118.862%0.61762%0.62SS**Hα-helixtrans-72.8-34.1178-162.5166.429.500112.2D394 A395 A401 Q402D394-Q398 WeakPolarHBondContact O-CB 3.49Å; D394-Q398 PolarHBondContact O-N 3.32Å; A395-Q398 PolarHBondContact O-N 3.45Å; Q398-A401 PolarHBondContact O-N 3.49Å; Q398-Q402 WeakPolarHBondContact O-CG 3.1Å; Q398-Q402 PolarHBondContact O-N 2.89Å
399A70.3Confident60Low42 Ų42114.8 Ų114.835%0.34760%0.604SS.*Hα-helixtrans-65.1-41.1169.900000111.8A395 A401 Q402 R403A395-A399 VanDerWaalsContact O-CB 3.27Å; A395-A399 WeakPolarHBondContact O-CB 3.3Å; A395-A399 PolarHBondContact O-N 3.47Å; A399-A401 PolarHBondContact O-N 2.88Å; A399-Q402 PolarHBondContact O-N 3.18Å; A399-R403 VanDerWaalsContact O-CG 3.31Å; A399-R403 WeakPolarHBondContact O-CG 3.32Å; A399-R403 PolarHBondContact O-N 2.6Å
400A69.8Low60.9Low47 Ų47110.2 Ų110.239%0.38858%0.584SS.*Hα-helixtrans-61.4-43.2174.600000111.8D396 L397 R403 L404D396-A400 WeakPolarHBondContact O-CB 3.38Å; D396-A400 PolarHBondContact O-N 3.36Å; L397-A400 PolarHBondContact O-N 2.69Å; A400-R403 PolarHBondContact O-N 3.43Å; A400-L404 WeakPolarHBondContact O-CG 3.41Å; A400-L404 PolarHBondContact O-N 2.89Å
401A64.3Low61.4Low52 Ų52106.1 Ų106.143%0.4357%0.568SS.*Hα-helixtrans-60.3-46.317500000112.3L397 Q398 A399 R403 L404 T405L397-A401 PolarHBondContact O-N 2.88Å; Q398-A401 PolarHBondContact O-N 3.49Å; A399-A401 PolarHBondContact O-N 2.88Å; A401-R403 PolarHBondContact O-N 2.88Å; A401-L404 PolarHBondContact O-N 3.46Å; A401-T405 PolarHBondContact O-N 2.95Å; A401-T405 PolarHBondContact O-OG1 3.33Å
402Q68.2Low62.2Low126 Ų126100.1 Ų100.159%0.58955%0.545SS*.Hα-helixtrans-64-37.5177.7-71.6174.715.700112.7Q398 A399 T405 Q406Q398-Q402 WeakPolarHBondContact O-CG 3.1Å; Q398-Q402 PolarHBondContact O-N 2.89Å; A399-Q402 PolarHBondContact O-N 3.18Å; Q402-T405 PolarHBondContact O-N 3.03Å; Q402-Q406 WeakPolarHBondContact O-CB 3.27Å; Q402-Q406 PolarHBondContact O-N 3.35Å
403R69.4Low63Low172 Ų172104.1 Ų104.165%0.64956%0.556SS**Hα-helixtrans-68.1-42.4175.8-69.1-177.483.5152.39.7111.9A399 A400 A401 T405 Q406 D407A399-R403 VanDerWaalsContact O-CG 3.31Å; A399-R403 WeakPolarHBondContact O-CG 3.32Å; A399-R403 PolarHBondContact O-N 2.6Å; A400-R403 PolarHBondContact O-N 3.43Å; A401-R403 PolarHBondContact O-N 2.88Å; R403-T405 VanDerWaalsContact C-N 3.28Å; R403-T405 PolarHBondContact O-N 3.38Å; R403-Q406 PolarHBondContact O-N 3.38Å; R403-Q406 VanDerWaalsContact O-N 3.11Å; R403-D407 WeakPolarHBondContact O-CB 3.21Å; R403-D407 VanDerWaalsContact O-CG 3.25Å; R403-D407 PolarHBondContact O-N 3.39Å
404L69.5Low62.8Low123 Ų123104.5 Ų104.564%0.64455%0.553SS**Hα-helixtrans-60.2-37.8172.8-70.7167.8000112.1A400 A401 F408A400-L404 WeakPolarHBondContact O-CG 3.41Å; A400-L404 PolarHBondContact O-N 2.89Å; A401-L404 PolarHBondContact O-N 3.46Å; L404-F408 WeakPolarHBondContact O-CB 3.31Å; L404-F408 PolarHBondContact O-N 3.05Å; L404-F408 VanDerWaalsContact O-N 3.08Å
405T70.8Confident62.4Low86 Ų86106.3 Ų106.353%0.52856%0.558SS.*Hα-helixtrans-66-40.9173.2-50.60000112.1A401 Q402 R403 L409A401-T405 PolarHBondContact O-N 2.95Å; A401-T405 PolarHBondContact O-OG1 3.33Å; Q402-T405 PolarHBondContact O-N 3.03Å; R403-T405 VanDerWaalsContact C-N 3.28Å; R403-T405 PolarHBondContact O-N 3.38Å; T405-L409 HydrophobicContact CG2-CD1 4.29Å; T405-L409 PolarHBondContact O-N 2.93Å; T405-L409 VanDerWaalsContact O-N 3.08Å
406Q66.6Low61.6Low125 Ų125112 Ų11258%0.58457%0.573SS**Hα-helixtrans-68.5-41177.9-176.4169.750.600112.6Q402 R403 L409 C410Q402-Q406 WeakPolarHBondContact O-CB 3.27Å; Q402-Q406 PolarHBondContact O-N 3.35Å; R403-Q406 PolarHBondContact O-N 3.38Å; R403-Q406 VanDerWaalsContact O-N 3.11Å; Q406-L409 PolarHBondContact O-N 2.9Å; Q406-C410 PolarHBondContact O-N 3.46Å; Q406-C410 PolarHBondContact O-SG 3.09Å; Q406-C410 VanDerWaalsContact O-SG 3.33Å
407D67.3Low60.5Low90 Ų90109.3 Ų109.348%0.48157%0.574SS.*Hα-helixtrans-67.1-38.3177.9-68.4-26.4000111.2R403 C410 Q411R403-D407 WeakPolarHBondContact O-CB 3.21Å; R403-D407 VanDerWaalsContact O-CG 3.25Å; R403-D407 PolarHBondContact O-N 3.39Å; D407-C410 PolarHBondContact O-N 3.47Å; D407-Q411 PolarHBondContact O-N 3.18Å
408F68.6Low58.7Low139 Ų139107.1 Ų107.161%0.6158%0.58SS**Hα-helixtrans-63.1-45.7172.5-175.4-102.2000112.2L404 C410 Q411 V412L404-F408 WeakPolarHBondContact O-CB 3.31Å; L404-F408 PolarHBondContact O-N 3.05Å; L404-F408 VanDerWaalsContact O-N 3.08Å; F408-C410 VanDerWaalsContact C-N 3.32Å; F408-C410 PolarHBondContact O-N 2.8Å; F408-Q411 PolarHBondContact O-N 3.37Å; F408-V412 HydrophobicContact CE1-CG2 4.21Å; F408-V412 HydrophobicContact CZ-CG2 4.28Å; F408-V412 WeakPolarHBondContact O-CG2 3.38Å; F408-V412 PolarHBondContact O-N 3.12Å; F408-V412 VanDerWaalsContact O-N 3.09Å
409L58Low57.1Low100 Ų100112.3 Ų112.352%0.52459%0.594SS.*Hα-helixtrans-59.8-39.8173.6-98.4143.9000112.3T405 Q406 I413T405-L409 HydrophobicContact CG2-CD1 4.29Å; T405-L409 PolarHBondContact O-N 2.93Å; T405-L409 VanDerWaalsContact O-N 3.08Å; Q406-L409 PolarHBondContact O-N 2.9Å; L409-I413 WeakPolarHBondContact O-CD1 3.22Å; L409-I413 VanDerWaalsContact O-CG1 3.24Å; L409-I413 WeakPolarHBondContact O-CG1 3.36Å; L409-I413 PolarHBondContact O-N 2.93Å
410C62.1Low55.2Low60 Ų60114.2 Ų114.241%0.40561%0.61SS.*Hα-helixtrans-67.3-35.8175.8-73.80000113.2Q406 D407 F408 Q414Q406-C410 PolarHBondContact O-N 3.46Å; Q406-C410 PolarHBondContact O-SG 3.09Å; Q406-C410 VanDerWaalsContact O-SG 3.33Å; D407-C410 PolarHBondContact O-N 3.47Å; F408-C410 VanDerWaalsContact C-N 3.32Å; F408-C410 PolarHBondContact O-N 2.8Å; C410-Q414 VanDerWaalsContact O-CG 3.29Å; C410-Q414 WeakPolarHBondContact O-CG 3.44Å; C410-Q414 PolarHBondContact O-N 3.26Å
411Q53.1Low53.4Low123 Ų123117.7 Ų117.758%0.57563%0.629SS**Hα-helixtrans-67.3-46.4175.8-79.6-177.9-24.600112.1D407 F408 I413 Q414 E415D407-Q411 PolarHBondContact O-N 3.18Å; F408-Q411 PolarHBondContact O-N 3.37Å; Q411-I413 VanDerWaalsContact C-N 3.28Å; Q411-I413 PolarHBondContact O-N 2.98Å; Q411-Q414 PolarHBondContact O-N 3.4Å; Q411-E415 PolarHBondContact O-N 2.82Å
412V56.4Low51.7Low74 Ų74124.2 Ų124.245%0.44865%0.651SS.*Hα-helixtrans-60.7-38.6178.3175.40000111.6F408 Q414F408-V412 HydrophobicContact CE1-CG2 4.21Å; F408-V412 HydrophobicContact CZ-CG2 4.28Å; F408-V412 WeakPolarHBondContact O-CG2 3.38Å; F408-V412 PolarHBondContact O-N 3.12Å; F408-V412 VanDerWaalsContact O-N 3.09Å; V412-Q414 VanDerWaalsContact C-N 3.3Å; V412-Q414 PolarHBondContact O-N 3.34Å
413I58.5Low49.7Very low121 Ų121127 Ų12762%0.62166%0.664SS**Hα-helixtrans-68.9-27.1175.9-67.7167.3000112.3L409 Q411L409-I413 WeakPolarHBondContact O-CD1 3.22Å; L409-I413 VanDerWaalsContact O-CG1 3.24Å; L409-I413 WeakPolarHBondContact O-CG1 3.36Å; L409-I413 PolarHBondContact O-N 2.93Å; Q411-I413 VanDerWaalsContact C-N 3.28Å; Q411-I413 PolarHBondContact O-N 2.98Å
414Q44.8Very low47.6Very low147 Ų147125.8 Ų125.869%0.68768%0.675SS**Hα-helixtrans-82.1-32.4177.5-75.1174.518.400113.1C410 Q411 V412 G417C410-Q414 VanDerWaalsContact O-CG 3.29Å; C410-Q414 WeakPolarHBondContact O-CG 3.44Å; C410-Q414 PolarHBondContact O-N 3.26Å; Q411-Q414 PolarHBondContact O-N 3.4Å; V412-Q414 VanDerWaalsContact C-N 3.3Å; V412-Q414 PolarHBondContact O-N 3.34Å; Q414-G417 PolarHBondContact O-N 3.18Å
415E48.5Very low45.6Very low171 Ų171128.6 Ų128.680%0.79969%0.685SS**Hα-helixtrans-74.3-29.1-178.6-70.1-169.4157.400113.7Q411 G417Q411-E415 PolarHBondContact O-N 2.82Å; E415-G417 VanDerWaalsContact C-N 3.33Å
416E42.1Very low43.4Very low182 Ų182131.4 Ų131.485%0.8570%0.702SS**SBendtrans-80.4-10.2169.4-69-152.6131.700113.7G418E416-G418 VanDerWaalsContact C-N 3.25Å; E416-G418 PolarHBondContact O-N 3.38Å; E416-G418 VanDerWaalsContact O-N 3.08Å
417G36.4Very low41.4Very low62 Ų62135 Ų13564%0.63972%0.719SS**  trans-80.326.6-174.700000116.4Q414 E415 R419Q414-G417 PolarHBondContact O-N 3.18Å; E415-G417 VanDerWaalsContact C-N 3.33Å; G417-R419 PolarHBondContact O-N 3.31Å
418G27.8Very low39.4Very low75 Ų75134.3 Ų134.377%0.77373%0.733SS**  trans-81.991.4-168.600000116.3E416E416-G418 VanDerWaalsContact C-N 3.25Å; E416-G418 PolarHBondContact O-N 3.38Å; E416-G418 VanDerWaalsContact O-N 3.08Å
419R27.4Very low37.4Very low241 Ų241132.9 Ų132.991%0.90975%0.747SS**  trans164.7112.9130.6177.8172.3-99.1-160.9-5112.8G417G417-R419 PolarHBondContact O-N 3.31Å
420A30.2Very low35.7Very low83 Ų83131.7 Ų131.769%0.68676%0.759SS**  trans-74175169.300000112.9
421P32Very low34Very low120 Ų120137.2 Ų137.278%0.77978%0.783SS**  -141.4140.4101.236.2-22.7000117.4
422Q27.5Very low33Very low189 Ų189136.8 Ų136.888%0.88379%0.791SS**  trans66.6120.1146.8-71.8-175.9-36.300121.8
423E26.3Very low31.5Very low184 Ų184138.2 Ų138.286%0.8681%0.811SS**  trans-83.3155.8170.8-58.4162.3145.600111.4
424V25.8Very low30.3Very low147 Ų147141.6 Ų141.689%0.89182%0.824SS**  trans-129.6121.6154.5177.60000107
425E26.8Very low29.5Very low182 Ų182138.5 Ų138.585%0.8583%0.832SS**  trans-71.1141.7-175.4-58.2177.3135.200112.7
426T25.3Very low28.8Very low145 Ų145135.1 Ų135.189%0.8983%0.833SS**  trans-155.6135.3142.6-31.40000110.8
427E25.1Very low28.2Very low199 Ų199130.7 Ų130.793%0.9382%0.822SS**  trans-76.2153.4-177.8-56.8-174.5122.100113.9
428G24.4Very low28.3Very low76 Ų76135 Ų13578%0.78483%0.83SS**  trans172.360.5172.700000119.9
429A26Very low29Very low110 Ų110135.2 Ų135.291%0.90982%0.824SS**  trans34.1119.3151.800000122.9
430G23.3Very low29.7Very low74 Ų74129 Ų12976%0.76382%0.818SS**  115.7107.2117.800000121.8
431L27.3Very low30.3Very low177 Ų177131.5 Ų131.593%0.92782%0.818SS**  trans79.3154.5149.6-68.7171.8000119.2
432P30.2Very low30.6Very low114 Ų114133.7 Ų133.774%0.7482%0.823SS**  -107152.3-125.738.8-37.8000116.6
433A26.5Very low30.7Very low103 Ų103127.7 Ų127.785%0.85181%0.811SS**  trans-78.2130.9169.500000111.9
434Q31.6Very low31Very low192 Ų192127.2 Ų127.290%0.89781%0.814SS**  trans-79123.5169.9-70.8176.4-12.400109.9A436Q434-A436 PolarHBondContact O-N 3.24Å
435G29.1Very low31.3Very low83 Ų83124.6 Ų124.686%0.85681%0.809SS**  trans-69.7113.9171.800000111.1
436A33.4Very low31.5Very low99 Ų99122 Ų12282%0.81881%0.81SS**  trans-71.2135172.400000110.8Q434Q434-A436 PolarHBondContact O-N 3.24Å
437S30.1Very low32Very low90 Ų90122.8 Ų122.863%0.62981%0.808SS**  trans-68.7141.7-176.8175.70000113A439S437-A439 PolarHBondContact O-N 2.88Å
438L37.1Very low32.2Very low152 Ų152116.6 Ų116.680%0.79680%0.798SS**G310 helixtrans-657177.9-78.7165.9000115.1S440 I441L438-S440 VanDerWaalsContact C-N 3.35Å; L438-I441 HydrophobicContact CD2-CD1 4.31Å
439A42.8Very low32.5Very low80 Ų80121.7 Ų121.766%0.66181%0.806SS**G310 helixtrans-76.9-13.7174.400000114.4S437S437-A439 PolarHBondContact O-N 2.88Å
440S43.8Very low32.9Very low111 Ų111125 Ų12578%0.77680%0.803SS**G310 helixtrans-88.5-2.4-174.7-62.60000115.8L438L438-S440 VanDerWaalsContact C-N 3.35Å
441I42Very low33.2Very low134 Ų134129.6 Ų129.669%0.68781%0.805SS**SBendtrans-96.2-21.8-176.7-66.8174.5000112.6L438 G443L438-I441 HydrophobicContact CD2-CD1 4.31Å; I441-G443 PolarHBondContact O-N 3.22Å
442L38.3Very low33.4Very low167 Ų167126.5 Ų126.587%0.87480%0.797SS**  trans-99.374.9179-66177.2000111.4
443G29.4Very low33.2Very low63 Ų63130 Ų13065%0.64980%0.801SS**  trans-143.792.5-177.600000114.8I441I441-G443 PolarHBondContact O-N 3.22Å
444N33.3Very low33.4Very low173 Ų173133.5 Ų133.593%0.92580%0.8SS**  trans61.892160.4-65.2-12.7000119.4
445A30.6Very low33.2Very low93 Ų93130.3 Ų130.377%0.76979%0.794SS**  trans-114.7103.3148.400000110L447A445-L447 PolarHBondContact O-N 3.06Å
446S32.8Very low33.1Very low127 Ų127134.6 Ų134.689%0.88879%0.789SS**  trans-77.7112.4172.4-176.10000109.3
447L35.2Very low32.9Very low162 Ų162136.6 Ų136.685%0.84879%0.786SS**  trans-99.5107.9174.6-68.8178.2000110.1A445A445-L447 PolarHBondContact O-N 3.06Å
448G28.6Very low32.8Very low69 Ų69140.4 Ų140.471%0.71180%0.799SS**  trans-76132.6167.600000110.6Q450G448-Q450 PolarHBondContact O-N 3.3Å
449L32.1Very low32.4Very low182 Ų182139 Ų13995%0.95380%0.798SS**  trans-62.5122.5168.1-78.6141000109.6
450Q33.5Very low31.9Very low179 Ų179144.1 Ų144.184%0.83681%0.809SS**  trans-106.4140155-74-138.2-87.100108.6G448G448-Q450 PolarHBondContact O-N 3.3Å
451E29.4Very low31.7Very low172 Ų172143.8 Ų143.880%0.80480%0.804SS**  trans-64.9144-175.4-61.5140.413100112.1F453E451-F453 HydrophobicContact CB-CD2 4.46Å
452S30.6Very low31Very low111 Ų111143.9 Ų143.978%0.77681%0.806SS**  trans-12893.8168.157.40000109.1
453F27.8Very low30.6Very low187 Ų187142.9 Ų142.982%0.8280%0.796SS**PPolyproline II helixtrans-99.1117.4166-79.4-77.1000109.3E451E451-F453 HydrophobicContact CB-CD2 4.46Å
454H30.5Very low30.7Very low177 Ų177146.8 Ų146.882%0.81980%0.803SS**PPolyproline II helixtrans-77.4128.8171.2-103.3-90.9000110
455T26.1Very low30.9Very low126 Ų126144.1 Ų144.177%0.77379%0.794SS**PPolyproline II helixtrans-87.2130.5164.7-50.70000109.3
456F27.1Very low31.1Very low173 Ų173147.4 Ų147.476%0.75980%0.799SS**  trans-153.7129.3152.7-100.4-66.4000113.2
457N29.8Very low31.3Very low141 Ų141150.5 Ų150.575%0.75480%0.8SS**  trans63105.6156-60.6-21000121.2
458L27.4Very low31.8Very low170 Ų170150.8 Ų150.889%0.8980%0.802SS**PPolyproline II helixtrans-88153.4150.4-83.9154.6000110.9
459P29.3Very low32.5Very low121 Ų121153.5 Ų153.579%0.78681%0.807SS**PPolyproline II helixtrans-95.7158.6144.1-7.927.5000112.4
460E31.4Very low32.8Very low189 Ų189149.6 Ų149.688%0.88380%0.795SS**PPolyproline II helixtrans-70.4172.4-172.6-84.4-89.8123.300115.6
461P41.3Very low33.6Very low104 Ų104147.7 Ų147.768%0.67580%0.798SS**  trans-107.3175.9-142.341.6-39.1000116.1
462D27.1Very low34.3Very low135 Ų135143.4 Ų143.472%0.72279%0.787SS**  trans-140.4120.4156.7-129-8.1000114.5
463Q30.6Very low35.5Very low146 Ų146142.3 Ų142.368%0.68279%0.794SS**  trans35.4105.7145.6-65.3172.26600122.2
464N30.1Very low36.6Very low146 Ų146141.4 Ų141.478%0.78179%0.792SS**  158.1140.6101.5-80.5-44.5000112.8
465P37.3Very low37.8Very low116 Ų116140.3 Ų140.375%0.75379%0.791SS**  trans-124.189.3-176.438.8-21.8000114.2
466D35Very low39.1Very low162 Ų162140.7 Ų140.787%0.86679%0.789SS**  trans-153.3112.7165.9-83.9-55.2000110
467E37.1Very low40.7Very low193 Ų193138 Ų13890%0.90278%0.782SS**  trans164.9129.3139.3-90.7-172.5168.400111.7
468D44.9Very low42.1Very low168 Ų168140.5 Ų140.590%0.89879%0.789SS**PPolyproline II helixtrans-83.1126.4175.5-79.4-54.2000111.3
469P44.9Very low43.4Very low125 Ų125136 Ų13681%0.81278%0.783SS**PPolyproline II helixtrans-85.3120.5170.330.7-30.2000112.3
470S38.3Very low45Very low100 Ų100134.5 Ų134.570%0.69977%0.768SS**PPolyproline II helixtrans-65.6161.7170.164.70000112.9S472S470-S472 VanDerWaalsContact C-N 3.34Å; S470-S472 PolarHBondContact O-N 2.93Å
471P49Very low46.4Very low140 Ų140130.9 Ų130.991%0.90976%0.755SS**SBendtrans-80.774-168.833.9-36.5000113
472S45.9Very low47.7Very low81 Ų81131.8 Ų131.857%0.56675%0.753SS**  trans-96.4132.3160.2-169.80000109.3S470 E474S470-S472 VanDerWaalsContact C-N 3.34Å; S470-S472 PolarHBondContact O-N 2.93Å; S472-E474 PolarHBondContact O-N 3.36Å
473G54Low49.4Very low89 Ų89132 Ų13292%0.91875%0.75SS**  trans-82.643.3179.200000113.2
474E52Low51.4Low168 Ų168129.2 Ų129.279%0.78574%0.737SS**PPolyproline II helixtrans-95126.4172.8-114.3159.5167.300108.4S472S472-E474 PolarHBondContact O-N 3.36Å
475L55.6Low53.1Low153 Ų153125.5 Ų125.580%0.80172%0.717SS**PPolyproline II helixtrans-80.2121.8173.6-69.9170.5000107.4L477L475-L477 PolarHBondContact O-N 3.47Å
476D54.1Low54.5Low134 Ų134125.2 Ų125.272%0.71771%0.709SS**PPolyproline II helixtrans-66.3125.4171.8-1731000109.5E478D476-E478 PolarHBondContact OD1-N 2.85Å; D476-E478 VanDerWaalsContact OD1-N 3.12Å
477L59.4Low56Low117 Ų117125.1 Ų125.161%0.61370%0.701SS**  trans-1174-175.7-66.7175.9000112.3L475 G479 I480L475-L477 PolarHBondContact O-N 3.47Å; L477-G479 PolarHBondContact O-N 3.36Å; L477-I480 HydrophobicContact CD2-CD1 4.07Å; L477-I480 PolarHBondContact O-N 3.2Å
478E59.3Low57.2Low193 Ų193124.3 Ų124.390%0.90269%0.69SS**THydrogen-bonded Turntrans-68.22.7-176-64.3-166.8165.500114.5D476D476-E478 PolarHBondContact OD1-N 2.85Å; D476-E478 VanDerWaalsContact OD1-N 3.12Å
479G54.9Low58.8Low75 Ų75121 Ų12177%0.77367%0.672SS**THydrogen-bonded Turntrans-113.44.6177.600000116.1L477L477-G479 PolarHBondContact O-N 3.36Å
480I62.6Low60.3Low91 Ų91118.2 Ų118.247%0.46765%0.65SS.*  trans-110.6105.9178.6-48.3-179.4000109.6L477 I485L477-I480 HydrophobicContact CD2-CD1 4.07Å; L477-I480 PolarHBondContact O-N 3.2Å; I480-I485 HydrophobicContact CG2-CD1 3.67Å; I480-I485 HydrophobicContact CG2-CG1 3.52Å
481D61.3Low62.4Low113 Ų113118.6 Ų118.660%0.60464%0.644SS**  trans-68.6130.4173.2-123.5-25.7000109.7Q483 E484 I485D481-Q483 PolarHBondContact O-N 3.44Å; D481-Q483 VanDerWaalsContact O-N 3.07Å; D481-E484 WeakPolarHBondContact O-CB 3.4Å; D481-E484 PolarHBondContact O-N 3.23Å; D481-I485 PolarHBondContact O-N 2.97Å
482D68.5Low64Low122 Ų122119.7 Ų119.765%0.65264%0.637SS**Hα-helixtrans-56.5-30.1178.5-70.9-38.6000111.7E484 I485 D486D482-E484 VanDerWaalsContact C-N 3.25Å; D482-E484 PolarHBondContact O-N 3.31Å; D482-I485 PolarHBondContact O-N 3.37Å; D482-D486 PolarHBondContact O-N 3.29Å
483Q61.8Low65.5Low139 Ų139123.6 Ų123.665%0.6564%0.644SS**Hα-helixtrans-71.3-10.9175.3-60.8-179.741.100114.6D481 K487D481-Q483 PolarHBondContact O-N 3.44Å; D481-Q483 VanDerWaalsContact O-N 3.07Å; Q483-K487 WeakPolarHBondContact O-CD 3.48Å; Q483-K487 WeakPolarHBondContact O-CE 3.31Å; Q483-K487 WeakPolarHBondContact O-CG 3.28Å; Q483-K487 PolarHBondContact O-NZ 2.8Å
484E73Confident66.9Low88 Ų88123.6 Ų123.641%0.41162%0.62SS.*Hα-helixtrans-89.3-39.5165.9-175.3173.7176.400110.7D481 D482 D486 K487 Y488D481-E484 WeakPolarHBondContact O-CB 3.4Å; D481-E484 PolarHBondContact O-N 3.23Å; D482-E484 VanDerWaalsContact C-N 3.25Å; D482-E484 PolarHBondContact O-N 3.31Å; E484-D486 VanDerWaalsContact C-N 3.33Å; E484-D486 PolarHBondContact O-N 3.19Å; E484-K487 WeakPolarHBondContact O-CB 3.39Å; E484-K487 PolarHBondContact O-N 3.43Å; E484-Y488 HydrophobicContact CG-CD2 4.21Å; E484-Y488 HydrophobicContact CG-CE2 3.61Å; E484-Y488 VanDerWaalsContact O-CD2 3.28Å; E484-Y488 WeakPolarHBondContact O-CD2 3.28Å; E484-Y488 PolarHBondContact O-N 3.28Å; E484-Y488 WeakPolarHBondContact OE1-CE2 3.36Å; E484-Y488 PolarHBondContact OE1-OH 2.97Å
485I66.5Low68.4Low68 Ų68118.8 Ų118.835%0.34960%0.602SS.*Hα-helixtrans-58.7-45.7175.9-57.4175.5000110.7I480 D481 D482 K487 Y488 I489I480-I485 HydrophobicContact CG2-CD1 3.67Å; I480-I485 HydrophobicContact CG2-CG1 3.52Å; D481-I485 PolarHBondContact O-N 2.97Å; D482-I485 PolarHBondContact O-N 3.37Å; I485-K487 PolarHBondContact O-N 2.86Å; I485-K487 VanDerWaalsContact O-N 3.12Å; I485-Y488 PolarHBondContact O-N 3.29Å; I485-I489 HydrophobicContact CG2-CD1 3.98Å; I485-I489 HydrophobicContact CG2-CG1 4.42Å; I485-I489 PolarHBondContact O-N 2.94Å
486D66.1Low69.8Low110 Ų110117.1 Ų117.159%0.58859%0.59SS**Hα-helixtrans-62.5-17.1177.4-81.2-13.4000113.9D482 E484D482-D486 PolarHBondContact O-N 3.29Å; E484-D486 VanDerWaalsContact C-N 3.33Å; E484-D486 PolarHBondContact O-N 3.19Å
487K66.9Low71.4Confident161 Ų161115.1 Ų115.170%0.758%0.582SS**Hα-helixtrans-83.7-22.1172.3-63.9167.7-171.6135.50112.8Q483 E484 I485Q483-K487 WeakPolarHBondContact O-CD 3.48Å; Q483-K487 WeakPolarHBondContact O-CE 3.31Å; Q483-K487 WeakPolarHBondContact O-CG 3.28Å; Q483-K487 PolarHBondContact O-NZ 2.8Å; E484-K487 WeakPolarHBondContact O-CB 3.39Å; E484-K487 PolarHBondContact O-N 3.43Å; I485-K487 PolarHBondContact O-N 2.86Å; I485-K487 VanDerWaalsContact O-N 3.12Å
488Y63.3Low72.6Confident175 Ų175115.4 Ų115.469%0.68658%0.579SS**Hα-helixtrans-90.1-19.8173.7-65.8-65.5000112.6E484 I485 L490E484-Y488 HydrophobicContact CG-CD2 4.21Å; E484-Y488 HydrophobicContact CG-CE2 3.61Å; E484-Y488 VanDerWaalsContact O-CD2 3.28Å; E484-Y488 WeakPolarHBondContact O-CD2 3.28Å; E484-Y488 PolarHBondContact O-N 3.28Å; E484-Y488 WeakPolarHBondContact OE1-CE2 3.36Å; E484-Y488 PolarHBondContact OE1-OH 2.97Å; I485-Y488 PolarHBondContact O-N 3.29Å; Y488-L490 PolarHBondContact O-N 3.49Å
489I78.4Confident73.9Confident98 Ų98109.9 Ų109.950%0.50356%0.558SS.*SBendtrans-78.5109.7168.8-61.9171.8000108.5I485 N491I485-I489 HydrophobicContact CG2-CD1 3.98Å; I485-I489 HydrophobicContact CG2-CG1 4.42Å; I485-I489 PolarHBondContact O-N 2.94Å; I489-N491 PolarHBondContact O-N 3.3Å
490L75.8Confident75.5Confident68 Ų68110.9 Ų110.936%0.35654%0.543SS..  trans-62.8133.2175-75.2145.8000110.5Y488 E494 V495 K498Y488-L490 PolarHBondContact O-N 3.49Å; L490-E494 HydrophobicContact CB-CB 4.32Å; L490-E494 HydrophobicContact CD2-CB 3.78Å; L490-V495 HydrophobicContact CB-CG2 3.62Å; L490-K498 HydrophobicContact CD1-CD 3.98Å; L490-K498 HydrophobicContact CD2-CD 4Å; L490-K498 VanDerWaalsContact CD2-NZ 3.32Å
491N81.6Confident76.7Confident107 Ų107112 Ų11257%0.57255%0.549SS*.  trans-60.7152.1173.1-74.9-75.1000110.4I489 K493 E494 V495I489-N491 PolarHBondContact O-N 3.3Å; N491-K493 PolarHBondContact O-N 3.1Å; N491-K493 VanDerWaalsContact O-N 3.09Å; N491-E494 HydrophobicContact CB-CB 4.49Å; N491-E494 HydrophobicContact CB-CG 4.08Å; N491-E494 PolarHBondContact N-OE2 3.29Å; N491-E494 PolarHBondContact ND2-OE2 3.32Å; N491-E494 CarbonylContact O-C 3.6Å; N491-E494 WeakPolarHBondContact O-CA 3.46Å; N491-E494 WeakPolarHBondContact O-CB 3.44Å; N491-E494 PolarHBondContact O-N 3.05Å; N491-V495 PolarHBondContact O-N 2.82Å
492E82.6Confident78.1Confident164 Ų164113.1 Ų113.177%0.76655%0.545SS*.Hα-helixtrans-52.3-40.1-176.9-164.9164.2-145.500112.4V495 E496E492-V495 WeakPolarHBondContact O-CB 3.46Å; E492-V495 PolarHBondContact O-N 2.99Å; E492-E496 WeakPolarHBondContact O-CG 3.29Å; E492-E496 PolarHBondContact O-N 2.91Å
493K78.2Confident79Confident162 Ų162110.4 Ų110.470%0.70453%0.532SS*.Hα-helixtrans-67.1-33.6174-60.9-177.7-179.5-1790114.2N491 V497N491-K493 PolarHBondContact O-N 3.1Å; N491-K493 VanDerWaalsContact O-N 3.09Å; K493-V497 VanDerWaalsContact O-CG2 3.31Å; K493-V497 WeakPolarHBondContact O-CG2 3.3Å; K493-V497 PolarHBondContact O-N 2.88Å
494E83.4Confident80.3Confident90 Ų90110.3 Ų110.342%0.42153%0.53SS..Hα-helixtrans-76.2-31.1176.6-61172.3148.200111.2L490 N491 K498L490-E494 HydrophobicContact CB-CB 4.32Å; L490-E494 HydrophobicContact CD2-CB 3.78Å; N491-E494 HydrophobicContact CB-CB 4.49Å; N491-E494 HydrophobicContact CB-CG 4.08Å; N491-E494 PolarHBondContact N-OE2 3.29Å; N491-E494 PolarHBondContact ND2-OE2 3.32Å; N491-E494 CarbonylContact O-C 3.6Å; N491-E494 WeakPolarHBondContact O-CA 3.46Å; N491-E494 WeakPolarHBondContact O-CB 3.44Å; N491-E494 PolarHBondContact O-N 3.05Å; E494-K498 VanDerWaalsContact O-CB 3.28Å; E494-K498 WeakPolarHBondContact O-CB 3.47Å; E494-K498 WeakPolarHBondContact O-CG 3.31Å; E494-K498 PolarHBondContact O-N 2.84Å
495V83.8Confident80.9Confident66 Ų66113.7 Ų113.740%0.455%0.546SS..Hα-helixtrans-65.6-46.3168.4178.10000110.1L490 N491 E492 K498 T499L490-V495 HydrophobicContact CB-CG2 3.62Å; N491-V495 PolarHBondContact O-N 2.82Å; E492-V495 WeakPolarHBondContact O-CB 3.46Å; E492-V495 PolarHBondContact O-N 2.99Å; V495-K498 PolarHBondContact O-N 3.12Å; V495-T499 HydrophobicContact CG1-CG2 4.3Å; V495-T499 WeakPolarHBondContact O-CB 3.42Å; V495-T499 VanDerWaalsContact O-CG2 3.31Å; V495-T499 WeakPolarHBondContact O-CG2 3.49Å; V495-T499 PolarHBondContact O-N 2.91Å; V495-T499 PolarHBondContact O-OG1 3.15Å
496E85.4Confident81.9Confident119 Ų119112.6 Ų112.656%0.55654%0.541SS*.Hα-helixtrans-56-54.4173.4-7517516600111.2E492 K498 T499 E500E492-E496 WeakPolarHBondContact O-CG 3.29Å; E492-E496 PolarHBondContact O-N 2.91Å; E496-K498 PolarHBondContact O-N 2.83Å; E496-T499 WeakPolarHBondContact CA-OG1 3.34Å; E496-T499 PolarHBondContact O-N 2.87Å; E496-T499 VanDerWaalsContact O-N 3.15Å; E496-T499 PolarHBondContact O-OG1 2.81Å; E496-E500 WeakPolarHBondContact O-CB 3.29Å; E496-E500 PolarHBondContact O-N 2.91Å
497V86.6Confident83Confident92 Ų92108.8 Ų108.856%0.55853%0.525SS*.Hα-helixtrans-61-41.3178.7172.30000112.3K493 E500 L501K493-V497 VanDerWaalsContact O-CG2 3.31Å; K493-V497 WeakPolarHBondContact O-CG2 3.3Å; K493-V497 PolarHBondContact O-N 2.88Å; V497-E500 PolarHBondContact O-N 2.76Å; V497-L501 VanDerWaalsContact O-CB 3.31Å; V497-L501 WeakPolarHBondContact O-CB 3.39Å; V497-L501 PolarHBondContact O-N 3.29Å
498K85.4Confident83.7Confident123 Ų123106.6 Ų106.654%0.53552%0.52SS..Hα-helixtrans-67.5-35.9175.3-83-174.7178.6174.20112.8L490 E494 V495 E496 W502L490-K498 HydrophobicContact CD1-CD 3.98Å; L490-K498 HydrophobicContact CD2-CD 4Å; L490-K498 VanDerWaalsContact CD2-NZ 3.32Å; E494-K498 VanDerWaalsContact O-CB 3.28Å; E494-K498 WeakPolarHBondContact O-CB 3.47Å; E494-K498 WeakPolarHBondContact O-CG 3.31Å; E494-K498 PolarHBondContact O-N 2.84Å; V495-K498 PolarHBondContact O-N 3.12Å; E496-K498 PolarHBondContact O-N 2.83Å; K498-W502 WeakPolarHBondContact O-CB 3.14Å; K498-W502 PolarHBondContact O-N 3.46Å
499T86.5Confident84.7Confident76 Ų76104.2 Ų104.247%0.46651%0.511SS..Hα-helixtrans-72.8-35.4176.552.90000111.7V495 E496 T503V495-T499 HydrophobicContact CG1-CG2 4.3Å; V495-T499 WeakPolarHBondContact O-CB 3.42Å; V495-T499 VanDerWaalsContact O-CG2 3.31Å; V495-T499 WeakPolarHBondContact O-CG2 3.49Å; V495-T499 PolarHBondContact O-N 2.91Å; V495-T499 PolarHBondContact O-OG1 3.15Å; E496-T499 WeakPolarHBondContact CA-OG1 3.34Å; E496-T499 PolarHBondContact O-N 2.87Å; E496-T499 VanDerWaalsContact O-N 3.15Å; E496-T499 PolarHBondContact O-OG1 2.81Å; T499-T503 WeakPolarHBondContact O-CB 3.41Å; T499-T503 VanDerWaalsContact O-CG2 3.28Å; T499-T503 WeakPolarHBondContact O-CG2 3.35Å; T499-T503 PolarHBondContact O-N 2.95Å; T499-T503 PolarHBondContact O-OG1 3.5Å
500E88.4Confident85.2Confident97 Ų97102.5 Ų102.545%0.45350%0.503SS..Hα-helixtrans-65-47.6171.1-161.5-166.8157.300111.6E496 V497 W502 T503 K504E496-E500 WeakPolarHBondContact O-CB 3.29Å; E496-E500 PolarHBondContact O-N 2.91Å; V497-E500 PolarHBondContact O-N 2.76Å; E500-W502 VanDerWaalsContact C-N 3.34Å; E500-W502 PolarHBondContact O-N 3.45Å; E500-T503 WeakPolarHBondContact CA-OG1 3.46Å; E500-T503 PolarHBondContact O-N 3.42Å; E500-T503 PolarHBondContact O-OG1 3.36Å; E500-K504 HydrophobicContact CG-CD 4.29Å; E500-K504 WeakPolarHBondContact O-CB 3.23Å; E500-K504 WeakPolarHBondContact O-CG 3.39Å; E500-K504 PolarHBondContact O-N 2.88Å; E500-K504 VanDerWaalsContact OE1-CE 3.22Å; E500-K504 WeakPolarHBondContact OE1-CE 3.39Å; E500-K504 IonicContact OE1-NZ 3.49Å; E500-K504 PolarHBondContact OE1-NZ 3.3Å
501L87.3Confident85.6Confident114 Ų114105.5 Ų105.560%0.59751%0.513SS*.Hα-helixtrans-60.5-43.8175.9-160.582.1000111.2V497 K504 Q505V497-L501 VanDerWaalsContact O-CB 3.31Å; V497-L501 WeakPolarHBondContact O-CB 3.39Å; V497-L501 PolarHBondContact O-N 3.29Å; L501-K504 PolarHBondContact O-N 2.84Å; L501-Q505 VanDerWaalsContact O-CB 3.27Å; L501-Q505 WeakPolarHBondContact O-CB 3.46Å; L501-Q505 PolarHBondContact O-N 2.94Å
502W90.5Very high85.8Confident137 Ų137105.1 Ų105.152%0.51951%0.508SS..Hα-helixtrans-67-41.6178.3-174.491.7000112.1K498 E500 Q505 N506 L510K498-W502 WeakPolarHBondContact O-CB 3.14Å; K498-W502 PolarHBondContact O-N 3.46Å; E500-W502 VanDerWaalsContact C-N 3.34Å; E500-W502 PolarHBondContact O-N 3.45Å; W502-Q505 PolarHBondContact O-N 3Å; W502-N506 PolarHBondContact NE1-ND2 3.05Å; W502-N506 VanDerWaalsContact O-CB 3.29Å; W502-N506 WeakPolarHBondContact O-CB 3.42Å; W502-N506 PolarHBondContact O-N 3.21Å; W502-N506 PolarHBondContact O-ND2 3.13Å; W502-L510 HydrophobicContact CZ3-CD1 4.28Å
503T87.9Confident85.8Confident64 Ų64100 Ų10039%0.39348%0.484SS..Hα-helixtrans-70-34.6177.349.30000112.6T499 E500 N506 A507 L510T499-T503 WeakPolarHBondContact O-CB 3.41Å; T499-T503 VanDerWaalsContact O-CG2 3.28Å; T499-T503 WeakPolarHBondContact O-CG2 3.35Å; T499-T503 PolarHBondContact O-N 2.95Å; T499-T503 PolarHBondContact O-OG1 3.5Å; E500-T503 WeakPolarHBondContact CA-OG1 3.46Å; E500-T503 PolarHBondContact O-N 3.42Å; E500-T503 PolarHBondContact O-OG1 3.36Å; T503-N506 CarbonylContact O-C 3.59Å; T503-A507 VanDerWaalsContact O-CA 3.23Å; T503-A507 WeakPolarHBondContact O-CA 3.42Å; T503-A507 WeakPolarHBondContact O-CB 3.28Å; T503-A507 PolarHBondContact O-N 2.84Å; T503-L510 HydrophobicContact CG2-CD1 4.31Å
504K89.4Confident86.2Confident137 Ų13799.2 Ų99.260%0.59648%0.48SS*.Hα-helixtrans-64.5-51169.6-77.7172.1168.3172.20111.4E500 L501 N506 A507E500-K504 HydrophobicContact CG-CD 4.29Å; E500-K504 WeakPolarHBondContact O-CB 3.23Å; E500-K504 WeakPolarHBondContact O-CG 3.39Å; E500-K504 PolarHBondContact O-N 2.88Å; E500-K504 VanDerWaalsContact OE1-CE 3.22Å; E500-K504 WeakPolarHBondContact OE1-CE 3.39Å; E500-K504 IonicContact OE1-NZ 3.49Å; E500-K504 PolarHBondContact OE1-NZ 3.3Å; L501-K504 PolarHBondContact O-N 2.84Å; K504-N506 VanDerWaalsContact C-N 3.31Å; K504-N506 PolarHBondContact O-N 2.93Å; K504-A507 WeakPolarHBondContact O-CB 3.31Å; K504-A507 PolarHBondContact O-N 3.43Å
505Q85.4Confident86.5Confident159 Ų15999.8 Ų99.874%0.74348%0.483SS*.Hα-helixtrans-68.5-27.5-177.7-165.7172.931.300113.3L501 W502L501-Q505 VanDerWaalsContact O-CB 3.27Å; L501-Q505 WeakPolarHBondContact O-CB 3.46Å; L501-Q505 PolarHBondContact O-N 2.94Å; W502-Q505 PolarHBondContact O-N 3Å
506N87.4Confident86.5Confident45 Ų45101.2 Ų101.224%0.24148%0.484CS..THydrogen-bonded Turntrans-103.216.1175.2-62.3-89.3000112.7W502 T503 K504 D508 Y509 L510W502-N506 PolarHBondContact NE1-ND2 3.05Å; W502-N506 VanDerWaalsContact O-CB 3.29Å; W502-N506 WeakPolarHBondContact O-CB 3.42Å; W502-N506 PolarHBondContact O-N 3.21Å; W502-N506 PolarHBondContact O-ND2 3.13Å; T503-N506 CarbonylContact O-C 3.59Å; K504-N506 VanDerWaalsContact C-N 3.31Å; K504-N506 PolarHBondContact O-N 2.93Å; N506-D508 VanDerWaalsContact C-N 3.3Å; N506-D508 PolarHBondContact O-N 3.32Å; N506-Y509 PolarHBondContact O-N 3.37Å; N506-L510 WeakPolarHBondContact O-CG 3.45Å; N506-L510 PolarHBondContact O-N 3.46Å
507A89.4Confident86.4Confident31 Ų31101.5 Ų101.526%0.25649%0.485SS..Hα-helixtrans-57.7-42.4-173.900000112.3T503 K504 L510 K511T503-A507 VanDerWaalsContact O-CA 3.23Å; T503-A507 WeakPolarHBondContact O-CA 3.42Å; T503-A507 WeakPolarHBondContact O-CB 3.28Å; T503-A507 PolarHBondContact O-N 2.84Å; K504-A507 WeakPolarHBondContact O-CB 3.31Å; K504-A507 PolarHBondContact O-N 3.43Å; A507-L510 PolarHBondContact O-N 3.37Å; A507-K511 WeakPolarHBondContact O-CG 3.46Å; A507-K511 PolarHBondContact O-N 2.91Å
508D80.6Confident86.4Confident114 Ų114102 Ų10261%0.6148%0.481SS*.Hα-helixtrans-74.2-33.7-178.4-60.7-34.1000112.3N506 K511 E512N506-D508 VanDerWaalsContact C-N 3.3Å; N506-D508 PolarHBondContact O-N 3.32Å; D508-K511 PolarHBondContact O-N 2.93Å; D508-K511 IonicContact OD1-NZ 2.69Å; D508-K511 PolarHBondContact OD1-NZ 3.2Å; D508-E512 PolarHBondContact O-N 3.3Å
509Y85.3Confident86.2Confident126 Ų126102.8 Ų102.849%0.49448%0.481SS..Hα-helixtrans-63.7-40.9169.7176.3-99.2000111.7N506 E512 Q513N506-Y509 PolarHBondContact O-N 3.37Å; Y509-E512 PolarHBondContact O-N 3.36Å; Y509-Q513 HydrophobicContact CD1-CG 4.39Å; Y509-Q513 HydrophobicContact CE1-CG 3.95Å; Y509-Q513 HydrophobicContact CE2-CG 4.39Å; Y509-Q513 WeakPolarHBondContact O-CG 3.45Å; Y509-Q513 PolarHBondContact O-N 2.88Å
510L87.8Confident85.9Confident62 Ų62101.4 Ų101.433%0.32547%0.47SS..Hα-helixtrans-66.8-37.6176.1-72.4164.5000112.1W502 T503 N506 A507 K514W502-L510 HydrophobicContact CZ3-CD1 4.28Å; T503-L510 HydrophobicContact CG2-CD1 4.31Å; N506-L510 WeakPolarHBondContact O-CG 3.45Å; N506-L510 PolarHBondContact O-N 3.46Å; A507-L510 PolarHBondContact O-N 3.37Å; L510-K514 WeakPolarHBondContact O-CG 3.34Å; L510-K514 PolarHBondContact O-N 3.05Å; L510-K514 VanDerWaalsContact O-N 3.08Å
511K85Confident85.5Confident131 Ų13199.8 Ų99.857%0.5747%0.467SS*.Hα-helixtrans-63.8-47.2170.6-70.1170.4-163.11580111.3A507 D508 Q513 K514 E515A507-K511 WeakPolarHBondContact O-CG 3.46Å; A507-K511 PolarHBondContact O-N 2.91Å; D508-K511 PolarHBondContact O-N 2.93Å; D508-K511 IonicContact OD1-NZ 2.69Å; D508-K511 PolarHBondContact OD1-NZ 3.2Å; K511-Q513 VanDerWaalsContact C-N 3.34Å; K511-Q513 PolarHBondContact O-N 3.14Å; K511-K514 PolarHBondContact O-N 3.06Å; K511-E515 WeakPolarHBondContact O-CB 3.49Å; K511-E515 PolarHBondContact O-N 3.33Å
512E85.9Confident85.2Confident99 Ų9999.2 Ų99.246%0.46346%0.46SS..Hα-helixtrans-61-41.2178.5-162.6-149.4138.200111.4D508 Y509 K516D508-E512 PolarHBondContact O-N 3.3Å; Y509-E512 PolarHBondContact O-N 3.36Å; E512-K516 WeakPolarHBondContact O-CB 3.5Å; E512-K516 PolarHBondContact O-N 3.06Å; E512-K516 IonicContact OE1-NZ 3.47Å; E512-K516 PolarHBondContact OE1-NZ 2.93Å
513Q83Confident84.8Confident56 Ų5696.4 Ų96.426%0.26245%0.452SS..Hα-helixtrans-62.6-46.1174.2-67.9-43-6200111.8Y509 K511 K516 E517Y509-Q513 HydrophobicContact CD1-CG 4.39Å; Y509-Q513 HydrophobicContact CE1-CG 3.95Å; Y509-Q513 HydrophobicContact CE2-CG 4.39Å; Y509-Q513 WeakPolarHBondContact O-CG 3.45Å; Y509-Q513 PolarHBondContact O-N 2.88Å; K511-Q513 VanDerWaalsContact C-N 3.34Å; K511-Q513 PolarHBondContact O-N 3.14Å; Q513-K516 WeakPolarHBondContact O-CB 3.5Å; Q513-K516 PolarHBondContact O-N 2.86Å; Q513-E517 WeakPolarHBondContact O-CB 3.45Å; Q513-E517 WeakPolarHBondContact O-CG 3.4Å; Q513-E517 PolarHBondContact O-N 3.31Å
514K85.8Confident84.3Confident145 Ų14599 Ų9963%0.6346%0.458SS*.Hα-helixtrans-61.9-45.8177.8-76.3-178.4177.8-1770112.3L510 K511 K516 E517 E518L510-K514 WeakPolarHBondContact O-CG 3.34Å; L510-K514 PolarHBondContact O-N 3.05Å; L510-K514 VanDerWaalsContact O-N 3.08Å; K511-K514 PolarHBondContact O-N 3.06Å; K514-K516 VanDerWaalsContact C-N 3.28Å; K514-K516 PolarHBondContact O-N 3.4Å; K514-E517 PolarHBondContact O-N 2.76Å; K514-E518 WeakPolarHBondContact O-CB 3.42Å; K514-E518 PolarHBondContact O-N 2.89Å
515E88.9Confident83.8Confident102 Ų10299.8 Ų99.848%0.47746%0.464SS..Hα-helixtrans-62.5-38178.1-160-139.3127.600111.5K511 R519K511-E515 WeakPolarHBondContact O-CB 3.49Å; K511-E515 PolarHBondContact O-N 3.33Å; E515-R519 WeakPolarHBondContact O-CB 3.49Å; E515-R519 PolarHBondContact O-N 2.65Å; E515-R519 IonicContact OE1-CZ 3.47Å; E515-R519 IonicContact OE1-NE 2.69Å; E515-R519 IonicContact OE1-NH2 2.82Å; E515-R519 PolarHBondContact OE1-NH2 3.35Å
516K84.5Confident83.2Confident96 Ų9699 Ų9942%0.41746%0.46SS..Hα-helixtrans-69.1-38.6176-171.2-178.5-145.8145.50112.5E512 Q513 K514 R519 I520E512-K516 WeakPolarHBondContact O-CB 3.5Å; E512-K516 PolarHBondContact O-N 3.06Å; E512-K516 IonicContact OE1-NZ 3.47Å; E512-K516 PolarHBondContact OE1-NZ 2.93Å; Q513-K516 WeakPolarHBondContact O-CB 3.5Å; Q513-K516 PolarHBondContact O-N 2.86Å; K514-K516 VanDerWaalsContact C-N 3.28Å; K514-K516 PolarHBondContact O-N 3.4Å; K516-R519 PolarHBondContact O-N 3.04Å; K516-I520 HydrophobicContact CG-CD1 4.35Å; K516-I520 WeakPolarHBondContact O-CB 3.1Å; K516-I520 WeakPolarHBondContact O-CD1 3.38Å; K516-I520 WeakPolarHBondContact O-CG1 3.2Å; K516-I520 PolarHBondContact O-N 3.06Å
517E83.3Confident81.9Confident125 Ų125100.1 Ų100.158%0.58448%0.482SS*.Hα-helixtrans-68.1-43173-75.2-173.6162.700111.7Q513 K514 R519 I520 T521Q513-E517 WeakPolarHBondContact O-CB 3.45Å; Q513-E517 WeakPolarHBondContact O-CG 3.4Å; Q513-E517 PolarHBondContact O-N 3.31Å; K514-E517 PolarHBondContact O-N 2.76Å; E517-R519 PolarHBondContact O-N 3.47Å; E517-I520 PolarHBondContact O-N 3.3Å; E517-T521 WeakPolarHBondContact O-CB 3.41Å; E517-T521 PolarHBondContact O-N 3.37Å; E517-T521 PolarHBondContact O-OG1 3.19Å
518E86Confident80.5Confident103 Ų103103 Ų10348%0.48150%0.497SS..Hα-helixtrans-60.3-44171.7-81.9-167.4-154.100112K514 I520 T521 K522K514-E518 WeakPolarHBondContact O-CB 3.42Å; K514-E518 PolarHBondContact O-N 2.89Å; E518-I520 VanDerWaalsContact C-N 3.33Å; E518-I520 PolarHBondContact O-N 2.97Å; E518-T521 PolarHBondContact O-N 2.87Å; E518-T521 VanDerWaalsContact O-N 3.11Å; E518-K522 WeakPolarHBondContact O-CB 3.49Å; E518-K522 WeakPolarHBondContact O-CD 3.26Å; E518-K522 VanDerWaalsContact O-CG 3.31Å; E518-K522 WeakPolarHBondContact O-CG 3.18Å; E518-K522 PolarHBondContact O-N 3.08Å; E518-K522 IonicContact OE2-NZ 2.71Å; E518-K522 PolarHBondContact OE2-NZ 3.41Å
519R81.9Confident79.5Confident139 Ų139101.7 Ų101.753%0.52548%0.484SS..Hα-helixtrans-60.7-43.7176.5-168.5-176.3-63-151.94.1110.8E515 K516 E517 T521 K522 E523E515-R519 WeakPolarHBondContact O-CB 3.49Å; E515-R519 PolarHBondContact O-N 2.65Å; E515-R519 IonicContact OE1-CZ 3.47Å; E515-R519 IonicContact OE1-NE 2.69Å; E515-R519 IonicContact OE1-NH2 2.82Å; E515-R519 PolarHBondContact OE1-NH2 3.35Å; K516-R519 PolarHBondContact O-N 3.04Å; E517-R519 PolarHBondContact O-N 3.47Å; R519-T521 VanDerWaalsContact C-N 3.31Å; R519-T521 PolarHBondContact O-N 2.79Å; R519-K522 PolarHBondContact O-N 2.85Å; R519-E523 WeakPolarHBondContact O-CB 3.34Å; R519-E523 VanDerWaalsContact O-CG 3.26Å; R519-E523 WeakPolarHBondContact O-CG 3.48Å; R519-E523 PolarHBondContact O-N 2.83Å
520I79.7Confident78.1Confident48 Ų48104.7 Ų104.725%0.24650%0.5CS..Hα-helixtrans-64.3-35.1173.7-71.5164.7000111.7K516 E517 E518 K524 Y529K516-I520 HydrophobicContact CG-CD1 4.35Å; K516-I520 WeakPolarHBondContact O-CB 3.1Å; K516-I520 WeakPolarHBondContact O-CD1 3.38Å; K516-I520 WeakPolarHBondContact O-CG1 3.2Å; K516-I520 PolarHBondContact O-N 3.06Å; E517-I520 PolarHBondContact O-N 3.3Å; E518-I520 VanDerWaalsContact C-N 3.33Å; E518-I520 PolarHBondContact O-N 2.97Å; I520-K524 HydrophobicContact CG2-CD 4.15Å; I520-K524 WeakPolarHBondContact O-CB 3.41Å; I520-K524 WeakPolarHBondContact O-CD 3.46Å; I520-K524 WeakPolarHBondContact O-CG 3.44Å; I520-K524 PolarHBondContact O-N 3.09Å; I520-Y529 HydrophobicContact CB-CE2 4.44Å; I520-Y529 HydrophobicContact CG1-CE2 4.1Å; I520-Y529 HydrophobicContact CG2-CD2 4.29Å; I520-Y529 HydrophobicContact CG2-CE2 3.83Å
521T79.6Confident76.7Confident62 Ų62109.4 Ų109.438%0.3852%0.52SS..Hα-helixtrans-71.6-45.9178.9-530000110.8E517 E518 R519 E523 K524 E525E517-T521 WeakPolarHBondContact O-CB 3.41Å; E517-T521 PolarHBondContact O-N 3.37Å; E517-T521 PolarHBondContact O-OG1 3.19Å; E518-T521 PolarHBondContact O-N 2.87Å; E518-T521 VanDerWaalsContact O-N 3.11Å; R519-T521 VanDerWaalsContact C-N 3.31Å; R519-T521 PolarHBondContact O-N 2.79Å; T521-E523 PolarHBondContact O-N 2.81Å; T521-K524 WeakPolarHBondContact O-CB 3.31Å; T521-K524 PolarHBondContact O-N 3.42Å; T521-K524 VanDerWaalsContact O-N 3.08Å; T521-E525 WeakPolarHBondContact O-CG 3.49Å; T521-E525 PolarHBondContact O-N 3.5Å
522K83Confident75.3Confident103 Ų103112.3 Ų112.345%0.44853%0.533SS..Hα-helixtrans-59.1-42171.6-70.2159.5178.7161.80111.6E518 R519 K524 E525 Q526E518-K522 WeakPolarHBondContact O-CB 3.49Å; E518-K522 WeakPolarHBondContact O-CD 3.26Å; E518-K522 VanDerWaalsContact O-CG 3.31Å; E518-K522 WeakPolarHBondContact O-CG 3.18Å; E518-K522 PolarHBondContact O-N 3.08Å; E518-K522 IonicContact OE2-NZ 2.71Å; E518-K522 PolarHBondContact OE2-NZ 3.41Å; R519-K522 PolarHBondContact O-N 2.85Å; K522-K524 VanDerWaalsContact C-N 3.34Å; K522-K524 PolarHBondContact O-N 2.82Å; K522-E525 PolarHBondContact O-N 2.7Å; K522-Q526 WeakPolarHBondContact O-CB 3.39Å; K522-Q526 WeakPolarHBondContact O-CG 3.43Å; K522-Q526 PolarHBondContact O-N 3.41Å
523E81.4Confident73.2Confident77 Ų77117.1 Ų117.136%0.3655%0.552SS.*Hα-helixtrans-66.2-29.6174-77.1176-16400113.5R519 T521 G527 T528 Y529R519-E523 WeakPolarHBondContact O-CB 3.34Å; R519-E523 VanDerWaalsContact O-CG 3.26Å; R519-E523 WeakPolarHBondContact O-CG 3.48Å; R519-E523 PolarHBondContact O-N 2.83Å; T521-E523 PolarHBondContact O-N 2.81Å; E523-G527 PolarHBondContact O-N 3.01Å; E523-T528 PolarHBondContact O-N 3.23Å; E523-Y529 HydrophobicContact CB-CD2 4.16Å; E523-Y529 PolarHBondContact O-N 3.32Å; E523-Y529 VanDerWaalsContact O-N 3.13Å; E523-Y529 WeakPolarHBondContact OE2-CD2 3.46Å
524K76.5Confident71.4Confident120 Ų120124.3 Ų124.352%0.52258%0.582SS.*Hα-helixtrans-75.8-44174.2-76.2165.1-178.6170.80111.6I520 T521 K522 Q526 G527 Y529I520-K524 HydrophobicContact CG2-CD 4.15Å; I520-K524 WeakPolarHBondContact O-CB 3.41Å; I520-K524 WeakPolarHBondContact O-CD 3.46Å; I520-K524 WeakPolarHBondContact O-CG 3.44Å; I520-K524 PolarHBondContact O-N 3.09Å; T521-K524 WeakPolarHBondContact O-CB 3.31Å; T521-K524 PolarHBondContact O-N 3.42Å; T521-K524 VanDerWaalsContact O-N 3.08Å; K522-K524 VanDerWaalsContact C-N 3.34Å; K522-K524 PolarHBondContact O-N 2.82Å; K524-Q526 VanDerWaalsContact C-N 3.27Å; K524-Q526 PolarHBondContact O-N 3.14Å; K524-G527 PolarHBondContact O-N 3.5Å; K524-Y529 HydrophobicContact CG-CD1 4.01Å; K524-Y529 HydrophobicContact CG-CG 3.95Å
525E78.5Confident69.5Low153 Ų153126.7 Ų126.772%0.71559%0.593SS**Hα-helixtrans-61.2-37.4175.2-72.1168.6177.400111.5T521 K522 G527T521-E525 WeakPolarHBondContact O-CG 3.49Å; T521-E525 PolarHBondContact O-N 3.5Å; K522-E525 PolarHBondContact O-N 2.7Å; E525-G527 PolarHBondContact O-N 2.83Å
526Q74.3Confident67.6Low142 Ų142132.6 Ų132.666%0.66461%0.613SS**THydrogen-bonded Turntrans-78.20.9173.9-66.7171.917.400113.8K522 K524 T528K522-Q526 WeakPolarHBondContact O-CB 3.39Å; K522-Q526 WeakPolarHBondContact O-CG 3.43Å; K522-Q526 PolarHBondContact O-N 3.41Å; K524-Q526 VanDerWaalsContact C-N 3.27Å; K524-Q526 PolarHBondContact O-N 3.14Å; Q526-T528 PolarHBondContact O-N 3.06Å
527G59.9Low66Low68 Ų68136.9 Ų136.970%0.70163%0.631SS**THydrogen-bonded Turntrans67.45.3174.200000116.1E523 K524 E525E523-G527 PolarHBondContact O-N 3.01Å; K524-G527 PolarHBondContact O-N 3.5Å; E525-G527 PolarHBondContact O-N 2.83Å
528T59.8Low64.3Low93 Ų93140.5 Ų140.557%0.57165%0.645SS**  trans-94.2-10.9-175.4450000113.7E523 Q526 K530E523-T528 PolarHBondContact O-N 3.23Å; Q526-T528 PolarHBondContact O-N 3.06Å; T528-K530 PolarHBondContact O-N 3.25Å; T528-K530 VanDerWaalsContact O-N 3.12Å
529Y59.3Low62.7Low86 Ų86144.7 Ų144.734%0.33766%0.656SS.*  trans-60.3110.2-177.8-173.2-104000113.7I520 E523 K524 E531I520-Y529 HydrophobicContact CB-CE2 4.44Å; I520-Y529 HydrophobicContact CG1-CE2 4.1Å; I520-Y529 HydrophobicContact CG2-CD2 4.29Å; I520-Y529 HydrophobicContact CG2-CE2 3.83Å; E523-Y529 HydrophobicContact CB-CD2 4.16Å; E523-Y529 PolarHBondContact O-N 3.32Å; E523-Y529 VanDerWaalsContact O-N 3.13Å; E523-Y529 WeakPolarHBondContact OE2-CD2 3.46Å; K524-Y529 HydrophobicContact CG-CD1 4.01Å; K524-Y529 HydrophobicContact CG-CG 3.95Å; Y529-E531 HydrophobicContact CE1-CB 4.15Å; Y529-E531 HydrophobicContact CE1-CG 4.43Å
530K57Low61.8Low189 Ų189144.6 Ų144.682%0.82266%0.662SS**  trans-99.9107.7171.7-71.5-179-176.9172.50110.6T528 K532T528-K530 PolarHBondContact O-N 3.25Å; T528-K530 VanDerWaalsContact O-N 3.12Å; K530-K532 PolarHBondContact O-N 3.14Å
531E57.4Low60.7Low161 Ų161150.8 Ų150.875%0.75269%0.69SS**  trans-58.3118.5-178.4-166.2-174.4-158.600112.6Y529 K533Y529-E531 HydrophobicContact CE1-CB 4.15Å; Y529-E531 HydrophobicContact CE1-CG 4.43Å; E531-K533 PolarHBondContact O-N 2.87Å
532K54.6Low59.8Low191 Ų191150.7 Ų150.783%0.8369%0.686SS**  trans-77.4109.9175.9-70.5179.1-178.6170.30110.2K530 K534K530-K532 PolarHBondContact O-N 3.14Å; K532-K534 PolarHBondContact O-N 3.22Å; K532-K534 VanDerWaalsContact O-N 3.14Å
533K43Very low58.8Low200 Ų200153.9 Ų153.987%0.8770%0.703SS**  trans-58.4114.3178.6-66.8-174.7178.3-178.30112E531E531-K533 PolarHBondContact O-N 2.87Å
534K45.1Very low57.9Low207 Ų207151.9 Ų151.990%0.970%0.7SS**  trans-62139.4171.4-69.5-175.4177.7-178.80110.7K532K532-K534 PolarHBondContact O-N 3.22Å; K532-K534 VanDerWaalsContact O-N 3.14Å
535K46.2Very low57.5Low195 Ų195150.8 Ų150.885%0.84871%0.713SS**SBendtrans-77.4135.5173.5-82.1-179.5176.1174.90110.4
536Y49.1Very low57Low227 Ų227148 Ų14889%0.8971%0.706SS**  trans50.393.8171.3-75.1-88.8000117.6
537K50.3Low56.5Low186 Ų186144.9 Ų144.981%0.80971%0.705SS**  trans-82.5140.9146.9-76.1-167.8171.5-168.20109.6
538K48.3Very low57.1Low200 Ų200142.7 Ų142.787%0.8768%0.682SS**  trans-55.6137.4167.6-171.6177.4179.4-1760108.4E540K538-E540 PolarHBondContact O-N 3.43Å; K538-E540 VanDerWaalsContact O-N 3.09Å
539R52.9Low57.9Low191 Ų191141.5 Ų141.572%0.72167%0.67SS**  trans-71.4106.1-176.8-176.7179.9-178.8179.7-2.6109.2
540E61.3Low58.5Low137 Ų137139.1 Ų139.164%0.6467%0.668SS**  trans-56.8139.9171.1-73.8160.5-163.300110.6K538K538-E540 PolarHBondContact O-N 3.43Å; K538-E540 VanDerWaalsContact O-N 3.09Å
541Q56.6Low59.1Low179 Ų179134.5 Ų134.584%0.83665%0.652SS**  trans-78.1137-179.3-162158.2-21.100108.6E543Q541-E543 PolarHBondContact O-N 3.5Å
542I62.1Low59.8Low59 Ų59131 Ų13130%0.30364%0.635SS.*  trans-88.2106.8178.9-59176000107.3K553 M554I542-K553 HydrophobicContact CG2-CB 4.12Å; I542-K553 HydrophobicContact CG2-CD 4.45Å; I542-M554 HydrophobicContact CD1-CB 4.33Å
543E60.7Low60.8Low170 Ų170125.3 Ų125.379%0.79461%0.611SS**  trans-81.1124.6168.2-67.9177.1-177.300109.5Q541Q541-E543 PolarHBondContact O-N 3.5Å
544A63.2Low62.1Low36 Ų36119 Ų11930%0.29859%0.585SS.*  trans-151.5139.3177.700000108.1T546 E549 A550A544-T546 VanDerWaalsContact C-N 3.35Å; A544-E549 HydrophobicContact CB-CB 4.39Å; A544-E549 HydrophobicContact CB-CG 4.48Å; A544-A550 HydrophobicContact CB-CB 3.79Å
545A67.1Low63.3Low96 Ų96111 Ų11179%0.79355%0.552SS**SBendtrans-80.2-20.5-173.400000112.5E549A545-E549 PolarHBondContact N-OE2 2.8Å; A545-E549 VanDerWaalsContact N-OE2 3.15Å
546T69.6Low64.3Low95 Ų95108.6 Ų108.658%0.58354%0.543SS*.SBendtrans-134.9146.3-176.3-54.50000111.5A544 G548 E549 A550A544-T546 VanDerWaalsContact C-N 3.35Å; T546-G548 VanDerWaalsContact C-N 3.3Å; T546-G548 PolarHBondContact O-N 3.47Å; T546-E549 WeakPolarHBondContact O-CB 3.2Å; T546-E549 PolarHBondContact O-N 2.95Å; T546-A550 PolarHBondContact O-N 3.11Å
547A63.7Low65.1Low77 Ų77105.8 Ų105.864%0.63653%0.531SS*.Hα-helixtrans-59.2-33.9-177.800000114.3I551A547-I551 WeakPolarHBondContact O-CD1 3.47Å; A547-I551 WeakPolarHBondContact O-CG1 3.39Å; A547-I551 PolarHBondContact O-N 3.29Å
548G71.1Confident65.9Low22 Ų22102.3 Ų102.323%0.22752%0.516CS..Hα-helixtrans-66.2-46.9174.600000112.7T546 A550 I551 E552T546-G548 VanDerWaalsContact C-N 3.3Å; T546-G548 PolarHBondContact O-N 3.47Å; G548-A550 VanDerWaalsContact C-N 3.29Å; G548-A550 PolarHBondContact O-N 2.83Å; G548-I551 WeakPolarHBondContact O-CB 3.2Å; G548-I551 PolarHBondContact O-N 3.09Å; G548-I551 VanDerWaalsContact O-N 3.07Å; G548-E552 PolarHBondContact O-N 3.07Å
549E76.4Confident66.6Low67 Ų67101.3 Ų101.331%0.31351%0.512SS..Hα-helixtrans-61.8-36.6177.2-164.9-156.6161.500112A544 A545 T546 I551 E552 K553A544-E549 HydrophobicContact CB-CB 4.39Å; A544-E549 HydrophobicContact CB-CG 4.48Å; A545-E549 PolarHBondContact N-OE2 2.8Å; A545-E549 VanDerWaalsContact N-OE2 3.15Å; T546-E549 WeakPolarHBondContact O-CB 3.2Å; T546-E549 PolarHBondContact O-N 2.95Å; E549-I551 VanDerWaalsContact C-N 3.31Å; E549-I551 PolarHBondContact O-N 3.12Å; E549-E552 PolarHBondContact O-N 3.45Å; E549-K553 HydrophobicContact CG-CD 4.43Å; E549-K553 WeakPolarHBondContact O-CB 3.34Å; E549-K553 PolarHBondContact O-N 2.74Å; E549-K553 WeakPolarHBondContact OE1-CE 3.47Å; E549-K553 IonicContact OE1-NZ 3.43Å; E549-K553 PolarHBondContact OE1-NZ 3.21Å
550A73.3Confident67.3Low36 Ų3697.6 Ų97.630%0.29851%0.505SS..Hα-helixtrans-62.6-36.9174.200000112.6A544 T546 G548 M554A544-A550 HydrophobicContact CB-CB 3.79Å; T546-A550 PolarHBondContact O-N 3.11Å; G548-A550 VanDerWaalsContact C-N 3.29Å; G548-A550 PolarHBondContact O-N 2.83Å; A550-M554 VanDerWaalsContact O-CB 3.29Å; A550-M554 WeakPolarHBondContact O-CB 3.09Å; A550-M554 PolarHBondContact O-N 3.13Å; A550-M554 VanDerWaalsContact O-N 3.16Å
551I69.9Low67.6Low92 Ų9293.4 Ų93.447%0.47249%0.491SS..Hα-helixtrans-73.5-41.2178.3-68.1164.6000110.5A547 G548 E549 M554 L555A547-I551 WeakPolarHBondContact O-CD1 3.47Å; A547-I551 WeakPolarHBondContact O-CG1 3.39Å; A547-I551 PolarHBondContact O-N 3.29Å; G548-I551 WeakPolarHBondContact O-CB 3.2Å; G548-I551 PolarHBondContact O-N 3.09Å; G548-I551 VanDerWaalsContact O-N 3.07Å; E549-I551 VanDerWaalsContact C-N 3.31Å; E549-I551 PolarHBondContact O-N 3.12Å; I551-M554 WeakPolarHBondContact O-CB 3.48Å; I551-M554 PolarHBondContact O-N 3.44Å; I551-L555 HydrophobicContact CG2-CD1 3.79Å; I551-L555 HydrophobicContact CG2-CG 4.4Å; I551-L555 VanDerWaalsContact O-CG 3.31Å; I551-L555 WeakPolarHBondContact O-CG 3.42Å; I551-L555 PolarHBondContact O-N 2.89Å
552E71.9Confident67.9Low87 Ų8790.8 Ų90.841%0.40749%0.492SS..Hα-helixtrans-62.5-54.3176.6-173.6160.8-140.600111.7G548 E549 M554 L555 E556G548-E552 PolarHBondContact O-N 3.07Å; E549-E552 PolarHBondContact O-N 3.45Å; E552-M554 PolarHBondContact O-N 2.97Å; E552-M554 VanDerWaalsContact O-N 3.11Å; E552-L555 PolarHBondContact O-N 3Å; E552-E556 WeakPolarHBondContact O-CG 3.29Å; E552-E556 PolarHBondContact O-N 3.45Å
553K74.9Confident67.9Low73 Ų7397.1 Ų97.132%0.31752%0.518SS..Hα-helixtrans-57.2-28.6174.3-78.7171.9169.7169.80113.1I542 E549 R557I542-K553 HydrophobicContact CG2-CB 4.12Å; I542-K553 HydrophobicContact CG2-CD 4.45Å; E549-K553 HydrophobicContact CG-CD 4.43Å; E549-K553 WeakPolarHBondContact O-CB 3.34Å; E549-K553 PolarHBondContact O-N 2.74Å; E549-K553 WeakPolarHBondContact OE1-CE 3.47Å; E549-K553 IonicContact OE1-NZ 3.43Å; E549-K553 PolarHBondContact OE1-NZ 3.21Å; K553-R557 WeakPolarHBondContact O-CB 3.31Å; K553-R557 WeakPolarHBondContact O-CG 3.39Å; K553-R557 PolarHBondContact O-N 3.08Å
554M70.5Confident68.4Low66 Ų6692.9 Ų92.933%0.32550%0.5SS..Hα-helixtrans-73.9-43.1173.4-173.6-169.965.600112.4I542 A550 I551 E552 K558 I560I542-M554 HydrophobicContact CD1-CB 4.33Å; A550-M554 VanDerWaalsContact O-CB 3.29Å; A550-M554 WeakPolarHBondContact O-CB 3.09Å; A550-M554 PolarHBondContact O-N 3.13Å; A550-M554 VanDerWaalsContact O-N 3.16Å; I551-M554 WeakPolarHBondContact O-CB 3.48Å; I551-M554 PolarHBondContact O-N 3.44Å; E552-M554 PolarHBondContact O-N 2.97Å; E552-M554 VanDerWaalsContact O-N 3.11Å; M554-K558 PolarHBondContact O-N 3.46Å; M554-I560 HydrophobicContact CE-CD1 4.22Å
555L71.3Confident68.5Low40 Ų4095.9 Ų95.921%0.20951%0.511CS..Hα-helixtrans-68.4-37.6-179.8-73.6165.5000112.1I551 E552 K558 K559 I560 Y566I551-L555 HydrophobicContact CG2-CD1 3.79Å; I551-L555 HydrophobicContact CG2-CG 4.4Å; I551-L555 VanDerWaalsContact O-CG 3.31Å; I551-L555 WeakPolarHBondContact O-CG 3.42Å; I551-L555 PolarHBondContact O-N 2.89Å; E552-L555 PolarHBondContact O-N 3Å; L555-K558 CarbonylContact O-C 3.2Å; L555-K558 PolarHBondContact O-N 3Å; L555-K559 PolarHBondContact O-N 3.42Å; L555-I560 HydrophobicContact CD2-CD1 4.46Å; L555-Y566 HydrophobicContact CD2-CD1 4.26Å; L555-Y566 HydrophobicContact CD2-CE1 3.95Å
556E66.3Low68.8Low144 Ų14493.8 Ų93.867%0.67348%0.483SS*.Hα-helixtrans-62.7-50.7173.2-69.7-173.9142.100111.9E552 K558E552-E556 WeakPolarHBondContact O-CG 3.29Å; E552-E556 PolarHBondContact O-N 3.45Å; E556-K558 VanDerWaalsContact C-N 3.28Å; E556-K558 PolarHBondContact O-N 3.4Å
557R65.8Low68.6Low169 Ų16993.4 Ų93.464%0.63848%0.477SS*.Hα-helixtrans-71.1-21.1180-70.2-177.3176.5-167.1-0.8113K553K553-R557 WeakPolarHBondContact O-CB 3.31Å; K553-R557 WeakPolarHBondContact O-CG 3.39Å; K553-R557 PolarHBondContact O-N 3.08Å
558K66.3Low68.8Low113 Ų11393.9 Ų93.949%0.49147%0.472SS..  trans-143.798.2178.4-67.9-173.1178.5-177.40112.1M554 L555 E556 I560M554-K558 PolarHBondContact O-N 3.46Å; L555-K558 CarbonylContact O-C 3.2Å; L555-K558 PolarHBondContact O-N 3Å; E556-K558 VanDerWaalsContact C-N 3.28Å; E556-K558 PolarHBondContact O-N 3.4Å; K558-I560 HydrophobicContact CB-CG1 4.45Å; K558-I560 WeakPolarHBondContact O-CG1 3.33Å; K558-I560 PolarHBondContact O-N 3.35Å
559K64Low68.4Low179 Ų17996.5 Ų96.578%0.77848%0.48SS*.  trans-66.697.6159.7-66.8-175.5179.3-178.10109.1L555 S561L555-K559 PolarHBondContact O-N 3.42Å; K559-S561 VanDerWaalsContact C-N 3.34Å; K559-S561 PolarHBondContact O-N 3.14Å
560I66.8Low67.9Low112 Ų112100.5 Ų100.557%0.57449%0.492SS*.  trans-75-23.2-166.5-37-178.3000112.2M554 L555 K558 Y566M554-I560 HydrophobicContact CE-CD1 4.22Å; L555-I560 HydrophobicContact CD2-CD1 4.46Å; K558-I560 HydrophobicContact CB-CG1 4.45Å; K558-I560 WeakPolarHBondContact O-CG1 3.33Å; K558-I560 PolarHBondContact O-N 3.35Å; I560-Y566 PolarHBondContact N-OH 3.44Å
561S67.2Low67.5Low50 Ų50103.6 Ų103.635%0.3550%0.504SS..  trans-163.1147.8174.4178.10000112.1K559 K563 Y566K559-S561 VanDerWaalsContact C-N 3.34Å; K559-S561 PolarHBondContact O-N 3.14Å; S561-K563 PolarHBondContact O-N 2.95Å; S561-K563 PolarHBondContact OG-N 2.99Å; S561-Y566 PolarHBondContact N-OH 3.26Å; S561-Y566 VanDerWaalsContact N-OH 3.14Å; S561-Y566 WeakPolarHBondContact O-CE2 3.46Å; S561-Y566 PolarHBondContact O-OH 3.37Å
562S64.1Low67.2Low123 Ų123105.9 Ų105.986%0.8652%0.517SS*.THydrogen-bonded Turntrans-76.7-1171.855.30000114.4
563K61.5Low66.6Low192 Ų192106.6 Ų106.684%0.83552%0.523SS*.THydrogen-bonded Turntrans-103.911.5-177.1-69.1-178175.5177.70114.8S561S561-K563 PolarHBondContact O-N 2.95Å; S561-K563 PolarHBondContact OG-N 2.99Å
564I71.8Confident66Low81 Ų81109.7 Ų109.742%0.41554%0.539SS..SBendtrans-108.9135.1176.5-60173.6000107.5Y566 L569I564-Y566 HydrophobicContact CB-CE2 4.17Å; I564-Y566 WeakPolarHBondContact O-CD2 3.45Å; I564-Y566 VanDerWaalsContact O-CE2 3.24Å; I564-Y566 WeakPolarHBondContact O-CE2 3.33Å; I564-Y566 PolarHBondContact O-N 3.49Å; I564-L569 HydrophobicContact CG2-CD1 3.49Å; I564-L569 VanDerWaalsContact CG2-CD1 3.49Å
565N64.8Low64.8Low99 Ų99112.7 Ų112.753%0.52956%0.563SS.*  trans-82.8108.9171.1-173.9-13.5000108.6D567N565-D567 VanDerWaalsContact C-N 3.34Å; N565-D567 PolarHBondContact OD1-N 3.38Å; N565-D567 VanDerWaalsContact OD1-N 3.13Å
566Y72.9Confident63.6Low53 Ų53116.1 Ų116.121%0.20860%0.597CS.*Hα-helixtrans-79.3-15.1-174.2-67.8-90.7000113.5L555 I560 S561 I564 L569 R570L555-Y566 HydrophobicContact CD2-CD1 4.26Å; L555-Y566 HydrophobicContact CD2-CE1 3.95Å; I560-Y566 PolarHBondContact N-OH 3.44Å; S561-Y566 PolarHBondContact N-OH 3.26Å; S561-Y566 VanDerWaalsContact N-OH 3.14Å; S561-Y566 WeakPolarHBondContact O-CE2 3.46Å; S561-Y566 PolarHBondContact O-OH 3.37Å; I564-Y566 HydrophobicContact CB-CE2 4.17Å; I564-Y566 WeakPolarHBondContact O-CD2 3.45Å; I564-Y566 VanDerWaalsContact O-CE2 3.24Å; I564-Y566 WeakPolarHBondContact O-CE2 3.33Å; I564-Y566 PolarHBondContact O-N 3.49Å; Y566-L569 PolarHBondContact O-N 2.92Å; Y566-R570 PolarHBondContact O-N 3.48Å
567D65.9Low62.1Low87 Ų87112.3 Ų112.347%0.46560%0.597SS.*Hα-helixtrans-75.6-43.9-177.9-59.1-41000111N565 L569 R570 D571N565-D567 VanDerWaalsContact C-N 3.34Å; N565-D567 PolarHBondContact OD1-N 3.38Å; N565-D567 VanDerWaalsContact OD1-N 3.13Å; D567-L569 PolarHBondContact O-N 2.98Å; D567-R570 PolarHBondContact O-N 3.27Å; D567-R570 IonicContact OD1-CZ 3.67Å; D567-R570 IonicContact OD1-NE 3.84Å; D567-R570 IonicContact OD1-NH2 2.74Å; D567-R570 PolarHBondContact OD1-NH2 3.16Å; D567-D571 PolarHBondContact O-N 3.11Å; D567-D571 VanDerWaalsContact O-N 3.11Å
568V67.4Low60.6Low86 Ų86110 Ų11052%0.52161%0.607SS.*Hα-helixtrans-61.7-26.9174.4-176.80000112.5
569L62.6Low59.8Low78 Ų78110.5 Ų110.541%0.40862%0.621SS.*Hα-helixtrans-77.3-21.9175.3-88.4152.2000113.3I564 Y566 D567I564-L569 HydrophobicContact CG2-CD1 3.49Å; I564-L569 VanDerWaalsContact CG2-CD1 3.49Å; Y566-L569 PolarHBondContact O-N 2.92Å; D567-L569 PolarHBondContact O-N 2.98Å
570R66.6Low58.7Low150 Ų150106.9 Ų106.957%0.56663%0.625SS**Hα-helixtrans-83.3-39.2172.7-71.7-172.5-73.9-176.61.2111.7Y566 D567 L572 N573Y566-R570 PolarHBondContact O-N 3.48Å; D567-R570 PolarHBondContact O-N 3.27Å; D567-R570 IonicContact OD1-CZ 3.67Å; D567-R570 IonicContact OD1-NE 3.84Å; D567-R570 IonicContact OD1-NH2 2.74Å; D567-R570 PolarHBondContact OD1-NH2 3.16Å; R570-L572 PolarHBondContact O-N 3.29Å; R570-N573 PolarHBondContact O-N 3.45Å; R570-N573 VanDerWaalsContact O-N 3.08Å
571D64.7Low57Low102 Ų102107.5 Ų107.555%0.54564%0.639SS.*Hα-helixtrans-63.6-28.1178.6-72.6-24.7000113.5D567 N573 Q574D567-D571 PolarHBondContact O-N 3.11Å; D567-D571 VanDerWaalsContact O-N 3.11Å; D571-N573 PolarHBondContact O-N 3.07Å; D571-N573 VanDerWaalsContact O-N 3.16Å; D571-Q574 PolarHBondContact O-N 2.94Å
572L63.6Low55.2Low140 Ų140114 Ų11473%0.73366%0.664SS**THydrogen-bonded Turntrans-64.9-11.7174.1-81.1165.9000114.6R570R570-L572 PolarHBondContact O-N 3.29Å
573N58.9Low55.1Low102 Ų102113.2 Ų113.255%0.54566%0.656SS.*THydrogen-bonded Turntrans-95.90.6178.5-157.137.8000113.1R570 D571R570-N573 PolarHBondContact O-N 3.45Å; R570-N573 VanDerWaalsContact O-N 3.08Å; D571-N573 PolarHBondContact O-N 3.07Å; D571-N573 VanDerWaalsContact O-N 3.16Å
574Q62.9Low54.2Low137 Ų137110.1 Ų110.164%0.6466%0.656SS**SBendtrans-83.1130.8170.4-61.9-170.842.900110.1D571 A576D571-Q574 PolarHBondContact O-N 2.94Å; Q574-A576 PolarHBondContact O-N 3.37Å
575P44.7Very low52.1Low129 Ų129110.1 Ų110.184%0.83868%0.675SS**PPolyproline II helixtrans-68.6126.4-17827-33.5000111.5G577P575-G577 PolarHBondContact O-N 3.05Å
576A46.3Very low50.3Low112 Ų112109.3 Ų109.393%0.92669%0.691SS**PPolyproline II helixtrans-66.8124.2-177.700000112.2Q574Q574-A576 PolarHBondContact O-N 3.37Å
577G34.7Very low48.2Very low65 Ų65112.2 Ų112.267%0.6773%0.726SS**  trans-152.936.6-166.800000118.4P575P575-G577 PolarHBondContact O-N 3.05Å
578S35.6Very low46.5Very low120 Ų120111.6 Ų111.684%0.83974%0.74SS**  trans68.3164156.6-56.50000119.7
579P48.3Very low44.7Very low123 Ų123112.9 Ų112.980%0.79976%0.76SS**  cis-133.4166.5-42.637.2-21.1000115.5
580A40.6Very low43.2Very low103 Ų103113.4 Ų113.485%0.85178%0.775SS**  trans1.5138.7164.200000123.8
581S31.1Very low42.1Very low126 Ų126111.7 Ų111.788%0.88178%0.783SS**  trans-153.2140.3134.752.70000113.9
582E30.5Very low40.7Very low185 Ų185117.7 Ų117.786%0.86480%0.798SS**  trans-145.4169.2170.2-96.8-158.5175.800106.5
583P62.2Low39.2Very low107 Ų107120.3 Ų120.370%0.69580%0.804SS**  cis-123.3-159.6-43.542.8-26.8000108.6
584P42.7Very low38Very low128 Ų128126.8 Ų126.883%0.83182%0.821SS**  cis-123.4-174.948.413.213000112.8
585G28.1Very low36.5Very low80 Ų80128.9 Ų128.983%0.82584%0.835SS**  cis129.598.4-4.300000114
586G27.1Very low35.9Very low83 Ų83127.9 Ų127.986%0.85683%0.832SS**  trans-164.4122.2-178.300000114.3
587A28.6Very low35.1Very low114 Ų114133.3 Ų133.394%0.94283%0.828SS**  trans-47.3154.6-169.400000120.4
588G28.8Very low35.2Very low74 Ų74141.5 Ų141.576%0.76384%0.839SS**  trans154107.3144.400000119.3
589A29.5Very low34.9Very low113 Ų113147.6 Ų147.693%0.93484%0.843SS**  trans67.9129.7155.500000121.6
590A32.3Very low34.2Very low89 Ų89153.2 Ų153.274%0.73685%0.849SS**  trans-116.1-169.4170.100000108.6
591P43.7Very low33.7Very low114 Ų114157.8 Ų157.874%0.7485%0.849SS**  cis-140.5147.1-0.737.7-17.2000118.3
592R34Very low33.6Very low227 Ų227156.3 Ų156.386%0.85784%0.844SS**  14.4134.2129.2-51.9175.7172.8-164.9-3.5120
593K32.8Very low33.5Very low195 Ų195150.8 Ų150.885%0.84884%0.837SS**  173122.6104.5-89.6161.1-172.9176.20110.2
594R33.6Very low32Very low238 Ų238153.5 Ų153.590%0.89885%0.846SS**  56.6109.779.6-117.8-166.7-175-156.53114.5
595L31.5Very low31.5Very low182 Ų182151.1 Ų151.195%0.95384%0.837SS**  trans-145.9156.6148.1-88.1-171.3000111.8
596S31.6Very low31.7Very low108 Ų108155 Ų15576%0.75584%0.839SS**  trans-133.3159.2-174.261.40000112
597R31.1Very low32Very low226 Ų226155.3 Ų155.385%0.85383%0.833SS**  trans73.290.2150-156.6177.2-140.3-176.25.4119.8
598R36.6Very low31.9Very low236 Ų236158 Ų15889%0.89183%0.826SS**  52.6107.1115.8-166.8-164.7-150.2-163.410.3119.3
599R28.5Very low32.1Very low249 Ų249161.8 Ų161.894%0.9483%0.828SS**  trans-157.9160.2135.4-132.4176.9179.7-173.6-0.9113.6
600R32.6Very low32.2Very low241 Ų241161.7 Ų161.791%0.90982%0.821SS**  trans-92.1154.6177.8-60169.9169.5170.4-6.6110.6
601K31.3Very low32.3Very low199 Ų199162.3 Ų162.387%0.86583%0.826SS**  157.2122.9106.4-176.6170.5178.8-173.80115
602A28.3Very low31.7Very low94 Ų94160.7 Ų160.778%0.77783%0.83SS**  trans51.5149.314300000124.8
603G28.3Very low31.7Very low69 Ų69153.9 Ų153.971%0.71182%0.822SS**  trans94.2143.9164.100000114.8
604D30.8Very low31.7Very low165 Ų165150.6 Ų150.688%0.88282%0.819SS**  cis-166.6178.7-24.4-134.6-45.3000109.2
605A33.3Very low31.8Very low78 Ų78147.1 Ų147.165%0.64582%0.815SS**  trans74.397.4162.800000121.9
606N31.8Very low32Very low161 Ų161145 Ų14586%0.86180%0.802SS**  54.5154111-69.7-30.4000125.6
607A32.8Very low32.1Very low89 Ų89145.8 Ų145.874%0.73680%0.802SS**  trans79.4139165.500000117.4
608E26.4Very low32.3Very low171 Ų171142 Ų14280%0.79979%0.792SS**  cis-157.2166.7-4.6-123.1178148.200113.3
609L33.4Very low32.2Very low153 Ų153141.7 Ų141.780%0.80179%0.79SS**  trans-21.7155.3164.1-58.3159.2000117.7
610S32Very low32.2Very low111 Ų111138.4 Ų138.478%0.77678%0.783SS**  cis-172.3-179.236.356.40000114
611A33.8Very low32.2Very low103 Ų103138.6 Ų138.685%0.85178%0.784SS**  trans70.3134.9175.700000116.8
612G32Very low32.1Very low80 Ų80140.4 Ų140.483%0.82579%0.785SS**  cis120.2131.413.300000109.4
613A32.8Very low32Very low84 Ų84144.2 Ų144.269%0.69479%0.792SS**  cis-161.7179.8-1.300000110.2
614T33.9Very low32.1Very low126 Ų126148.9 Ų148.977%0.77380%0.798SS**  trans63.9149.2159.845.60000119.4
615M35.7Very low31.8Very low164 Ų164145.7 Ų145.781%0.80879%0.789SS**  cis-141.5176.24.4-108.5-39.8-178.900112.2
616M36Very low31.6Very low139 Ų139146.3 Ų146.369%0.68579%0.789SS**  trans-71.9168.5-177.1-50.2-171.3-166.400113.7
617T32.8Very low31.6Very low123 Ų123145 Ų14576%0.75579%0.787SS**  cis-159.113249.2370000112.6
618K36.1Very low31.9Very low148 Ų148146.4 Ų146.464%0.64379%0.789SS**  58.6132.193.6-67.6174.8176.5166.20114.1F620K618-F620 HydrophobicContact CG-CE2 4.35Å
619R33.1Very low32Very low228 Ų228150.5 Ų150.586%0.8680%0.797SS**  cis-144.2128.224.1-65.6-178.9-176.3-178.30.5111.2
620F29.5Very low31.7Very low180 Ų180153.2 Ų153.279%0.78980%0.802SS**  74107.486.2-77.2-70.1000118.3K618K618-F620 HydrophobicContact CG-CE2 4.35Å
621R32.3Very low31.5Very low245 Ų245157.5 Ų157.593%0.92581%0.807SS**  trans-77.2155.5143.7-74.3-177.8174.4-173.8-2.4109.4
622R29.2Very low31.2Very low238 Ų238162.7 Ų162.790%0.89881%0.81SS**  trans-116129.1164.4-84.2-171.5171.9-163.6-0.7111.6
623L26.8Very low30.9Very low173 Ų173163.7 Ų163.791%0.90681%0.81SS**  trans-142.3122.1158-89.9167.9000105.2
624I29.2Very low30.8Very low167 Ų167164 Ų16486%0.85681%0.813SS**  trans-136.7140.9167.7-65.6-175.3000108.2
625S25.1Very low31.1Very low98 Ų98163.8 Ų163.869%0.68581%0.814SS**  trans-99.9149.6-176.6-177.70000111.8
626S30Very low30.7Very low92 Ų92164.6 Ų164.664%0.64382%0.815SS**  trans32.1142.2147.264.20000122.1
627T30.7Very low30.4Very low133 Ų133164.8 Ų164.882%0.81682%0.824SS**  175.8-173.5109.247.40000108.1
628P39.9Very low30.2Very low119 Ų119167.1 Ų167.177%0.77383%0.827SS**  -119.2176.2-114.3233.2000114.2
629R27.3Very low29.7Very low256 Ų256167.2 Ų167.297%0.96684%0.84SS**  trans-120.6145.1163.5-75.3-167.3172.6-155.7-0.5112
630K27.1Very low29.4Very low210 Ų210160.4 Ų160.491%0.91383%0.832SS**  trans-115.6145.9-163.7-165.8176.8-176.2179.70110.6
631K28Very low29.3Very low201 Ų201158.3 Ų158.387%0.87483%0.834SS**  trans-66.5156.3-178.8-66.1176.3172.7-178.80113.9
632K26.8Very low29Very low213 Ų213152.9 Ų152.993%0.92683%0.828SS**  trans-130.1142.2139.3-88.7-172.1172.6-176.10109.1
633A26.4Very low28.9Very low100 Ų100146.8 Ų146.883%0.82682%0.817SS**  trans-110.8-177.7164.700000107.2
634A30.1Very low28.8Very low91 Ų91146.8 Ų146.875%0.75281%0.812SS**  cis-155.7-158.911.700000106.8
635P40.4Very low28.6Very low121 Ų121144.5 Ų144.579%0.78681%0.806SS**  cis-126.8169.78.241-24.3000116.2
636Q28.7Very low28.7Very low181 Ų181144.3 Ų144.385%0.84681%0.811SS**  trans-94.7161161.7-68.2170.5-39.300109.6
637V27.9Very low28.6Very low144 Ų144144.7 Ų144.787%0.87381%0.813SS**  trans-116.7128.9160.4175.20000107.5
638E29.3Very low28.5Very low172 Ų172147.4 Ų147.480%0.80482%0.817SS**  trans-93.6144.4176.6-59.3175.4142.200110.6
639T26.4Very low27.9Very low150 Ų150146.2 Ų146.292%0.9282%0.817SS**  trans-152145140.633.10000108.4
640A26.6Very low28.4Very low85 Ų85140.5 Ų140.570%0.70281%0.811SS**  trans-136.9177.7-172.900000111.6
641V27.1Very low29.3Very low136 Ų136135.9 Ų135.982%0.82480%0.802SS**  trans71.4139.1173-138.20000111.4
642V26.2Very low29.3Very low130 Ų130135.5 Ų135.579%0.78880%0.803SS**  cis-144.1166.740.3-177.90000113.2
643T26Very low29.7Very low111 Ų111129.5 Ų129.568%0.68179%0.793SS**  trans-78.9-171.8-175.844.10000116.3
644E26.1Very low30.7Very low172 Ų172130.6 Ų130.680%0.80479%0.792SS**  trans90.8147.7163.4-66.3-176.3-172.100117.8
645T25.3Very low31.8Very low119 Ų119132.6 Ų132.673%0.7380%0.797SS**  cis-169.7158.6-40.2150000107.6
646A27.5Very low31.6Very low94 Ų94131.6 Ų131.678%0.77780%0.799SS**  trans64163.7159.700000117.5
647S27.8Very low31.7Very low100 Ų100127.8 Ų127.870%0.69980%0.799SS**  cis-169.8146.3-29.8520000110.7
648E27.7Very low32.2Very low190 Ų190127.4 Ų127.489%0.88880%0.796SS**  trans74.7152.2144.4-140.2169.2170.500123.1
649A27.8Very low33.3Very low95 Ų95125 Ų12579%0.78580%0.796SS**  trans97.3138.8154.100000121.9
650V36.9Very low33.5Very low136 Ų136121.3 Ų121.382%0.82479%0.787SS**  trans-126.2137.4-179.5166.20000107.8
651P45.4Very low34.5Very low113 Ų113123.7 Ų123.773%0.73480%0.796SS**  -142.3143.7114.919.33.4000112.8
652E29Very low34.9Very low193 Ų193121.5 Ų121.590%0.90279%0.792SS**  89.7146.275.4-154.2172.9-171.300114.5
653A36.2Very low35.6Very low86 Ų86121.9 Ų121.971%0.71180%0.797SS**  trans-83.4-179.1-164.400000115.2
654P46Very low35.9Very low124 Ų124121 Ų12181%0.80580%0.801SS**  -151.6-152.4100.948.4-29.4000113.9
655P54.1Low36.2Very low132 Ų132122.1 Ų122.186%0.85781%0.806SS**  -131.4-164.3-124.233-5000116.8
656A35.9Very low36.4Very low100 Ų100121 Ų12183%0.82681%0.809SS**  trans-98.2163.3-166.400000117.7
657A30.8Very low37Very low101 Ų101122.5 Ų122.584%0.83581%0.811SS**  trans-160.3158.3160.600000113.3
658V37.5Very low38Very low136 Ų136122.9 Ų122.982%0.82481%0.811SS**  trans-156.9166.7-165.7178.30000108
659P54Low38.3Very low122 Ų122119.5 Ų119.579%0.79281%0.806SS**  cis-129.5177.7-30.336.3-19000116.7
660G30.6Very low38.5Very low72 Ų72121.6 Ų121.674%0.74281%0.808SS**  trans93166142.300000119.3
661P46Very low38.2Very low135 Ų135123.5 Ų123.588%0.87781%0.808SS**  cis-128-170.4-0.442.6-26000115.3
662A35.3Very low37.4Very low91 Ų91124.3 Ų124.375%0.75281%0.811SS**  trans-93.1172.5-178.500000115.2
663P41.7Very low37.7Very low138 Ų138124 Ų12490%0.89681%0.81SS**  -140.3-174.6122.539.7-26.8000114.3
664A31.5Very low37.4Very low92 Ų92128.4 Ų128.476%0.7682%0.815SS**  trans-130.6164-160.500000116.4
665E32.4Very low37Very low195 Ų195131.9 Ų131.991%0.91182%0.821SS**  trans68.3117.9139.8-157.3165.4-132.400122.6
666A31Very low35.9Very low95 Ų95134.5 Ų134.579%0.78582%0.822SS**  trans-165.4153.4149.800000111.5
667P39.8Very low35.6Very low126 Ų126139.1 Ų139.182%0.81883%0.826SS**  trans-116.6-154.3-165.349.3-37.7000113.7
668P48.2Very low35.8Very low108 Ų108138.8 Ų138.870%0.70182%0.824SS**  -114.5175.2-126.139.3-20.7000116.5
669P33.4Very low35.5Very low120 Ų120136.8 Ų136.878%0.77982%0.821SS**  trans-108.3121.9147.933.7-23000110
670V32.1Very low34.7Very low139 Ų139139.7 Ų139.784%0.84282%0.824SS**  69.712479.1179.10000112.9
671E32.3Very low35Very low176 Ų176144.8 Ų144.882%0.82283%0.829SS**  trans-69.9148.1-171.6-62.5151.7158.500113.3
672T27.9Very low34.7Very low129 Ų129145 Ų14579%0.79182%0.822SS**  trans-130113.415146.80000107.6E674T672-E674 PolarHBondContact O-N 3.41Å
673E36.2Very low34.7Very low188 Ų188146.1 Ų146.188%0.87982%0.824SS**  trans-68.6118.2168.8-61.4171.3141.800108.2
674E29.5Very low34.6Very low177 Ų177143.5 Ų143.583%0.82781%0.805SS**  trans-121107.7159.9-73.4-171.9155.400107.3T672 E676T672-E674 PolarHBondContact O-N 3.41Å; E674-E676 PolarHBondContact O-N 3Å
675E36.2Very low35.1Very low197 Ų197141.1 Ų141.192%0.92178%0.783SS**  trans-70.7112.4164.6-63.7177.5132.500107.7
676E31.6Very low35.7Very low188 Ų188133.5 Ų133.588%0.87975%0.753SS**  trans-113.6131.6158.1-76.9-159.114200109.8E674E674-E676 PolarHBondContact O-N 3Å
677E29.3Very low36.4Very low197 Ų197133.8 Ų133.892%0.92174%0.741SS**  trans-69.5163.2-173.3-66.7-175.9122.500113.1
678A35.5Very low36.8Very low94 Ų94137.1 Ų137.178%0.77774%0.737SS**  trans-59.2138.4-174.500000114.4
679A31.4Very low37.1Very low93 Ų93136.9 Ų136.977%0.76973%0.729SS**  trans-115.3104.5144.200000107.6E681A679-E681 PolarHBondContact O-N 3.26Å; A679-E681 VanDerWaalsContact O-N 3.08Å
680E36.2Very low38.1Very low184 Ų184132.9 Ų132.986%0.8670%0.702SS**  trans-67.2103.6170.1-65.4-177.6153.400108.3D682E680-D682 PolarHBondContact O-N 2.64Å; E680-D682 VanDerWaalsContact O-N 3.11Å
681E37.7Very low38.3Very low178 Ų178128.3 Ų128.383%0.83268%0.684SS**  trans-71.6103.4170.5-72-161.9158.400109.3A679 C683A679-E681 PolarHBondContact O-N 3.26Å; A679-E681 VanDerWaalsContact O-N 3.08Å; E681-C683 PolarHBondContact O-N 3.15Å; E681-C683 VanDerWaalsContact O-N 3.15Å
682D39.1Very low38.8Very low140 Ų140128 Ų12875%0.74969%0.688SS**  trans-46.2117176.6-102.1-34000112.1E680 V684E680-D682 PolarHBondContact O-N 2.64Å; E680-D682 VanDerWaalsContact O-N 3.11Å; D682-V684 WeakPolarHBondContact O-CG2 3.49Å; D682-V684 PolarHBondContact O-N 3.35Å
683C36.7Very low39.5Very low115 Ų115130 Ų13078%0.77768%0.682SS**  trans-64.392173.8-72.50000111.1E681 S685E681-C683 PolarHBondContact O-N 3.15Å; E681-C683 VanDerWaalsContact O-N 3.15Å; C683-S685 PolarHBondContact O-N 3.19Å
684V37.8Very low39.3Very low83 Ų83124.2 Ų124.250%0.50367%0.673SS.*  trans-72.6100.5-179-169.60000110.7D682 R688 L689D682-V684 WeakPolarHBondContact O-CG2 3.49Å; D682-V684 PolarHBondContact O-N 3.35Å; V684-R688 HydrophobicContact CG1-CB 3.83Å; V684-L689 HydrophobicContact CG1-CG 4.35Å
685S42.4Very low39.5Very low42 Ų42121.8 Ų121.829%0.29467%0.674SS.*  trans-38.3137.4170.9142.10000112.8E291 C683 L687 R688 L689E291-S685 VanDerWaalsContact OE1-CB 3.28Å; E291-S685 WeakPolarHBondContact OE1-CB 3.33Å; E291-S685 PolarHBondContact OE1-OG 3.02Å; C683-S685 PolarHBondContact O-N 3.19Å; S685-L687 PolarHBondContact O-N 2.6Å; S685-L687 PolarHBondContact OG-N 3.19Å; S685-R688 WeakPolarHBondContact O-CB 3.49Å; S685-R688 PolarHBondContact O-N 3.43Å; S685-L689 PolarHBondContact O-N 3.18Å
686A46.2Very low39.3Very low35 Ų35121.4 Ų121.429%0.28967%0.672SS.*THydrogen-bonded Turntrans-57.7-27.1-17900000112.7
687L45.9Very low39.4Very low101 Ų101121.2 Ų121.253%0.52967%0.671SS.*THydrogen-bonded Turntrans-72.1-38.1174.8-164.367.7000112.7S685 L689 V690S685-L687 PolarHBondContact O-N 2.6Å; S685-L687 PolarHBondContact OG-N 3.19Å; L687-L689 PolarHBondContact O-N 3.5Å; L687-V690 CarbonylContact O-C 3.51Å; L687-V690 WeakPolarHBondContact O-CA 3.24Å; L687-V690 WeakPolarHBondContact O-CB 3.48Å; L687-V690 PolarHBondContact O-N 2.69Å
688R47.6Very low39.6Very low196 Ų196121 Ų12174%0.7467%0.67SS**THydrogen-bonded Turntrans-62.5-27.5174.6-80.8-177169.4175.4-3.2112.9V684 S685 V690V684-R688 HydrophobicContact CG1-CB 3.83Å; S685-R688 WeakPolarHBondContact O-CB 3.49Å; S685-R688 PolarHBondContact O-N 3.43Å; R688-V690 VanDerWaalsContact C-N 3.27Å; R688-V690 PolarHBondContact O-N 2.95Å
689L54Low39.5Very low102 Ų102124.8 Ų124.853%0.53467%0.671SS.*THydrogen-bonded Turntrans-74.2-14.7170.1-71.3168.5000113.2R261 V684 S685 L687 G691R261-L689 VanDerWaalsContact CZ-O 3.26Å; R261-L689 VanDerWaalsContact NH1-C 3.29Å; R261-L689 VanDerWaalsContact NH1-CB 3.29Å; R261-L689 PolarHBondContact NH1-O 2.7Å; R261-L689 PolarHBondContact NH2-O 3.38Å; V684-L689 HydrophobicContact CG1-CG 4.35Å; S685-L689 PolarHBondContact O-N 3.18Å; L687-L689 PolarHBondContact O-N 3.5Å; L689-G691 PolarHBondContact O-N 3.16Å
690V54.1Low39.6Very low36 Ų36126.8 Ų126.822%0.21867%0.674CS.*SBendtrans-94.870.6168.7-169.30000108.1L687 R688L687-V690 CarbonylContact O-C 3.51Å; L687-V690 WeakPolarHBondContact O-CA 3.24Å; L687-V690 WeakPolarHBondContact O-CB 3.48Å; L687-V690 PolarHBondContact O-N 2.69Å; R688-V690 VanDerWaalsContact C-N 3.27Å; R688-V690 PolarHBondContact O-N 2.95Å
691G36.4Very low39.3Very low44 Ų44130.3 Ų130.345%0.45469%0.687SS.*  trans-49.3148.8-177.900000113.7L689 Y693L689-G691 PolarHBondContact O-N 3.16Å; G691-Y693 VanDerWaalsContact O-CD2 3.3Å; G691-Y693 WeakPolarHBondContact O-CD2 3.12Å; G691-Y693 PolarHBondContact O-N 3.08Å
692D42.9Very low39.4Very low168 Ų168127.9 Ų127.990%0.89868%0.68SS**  trans-56.2127-171.5-16110.5000111.7
693Y42Very low39.4Very low173 Ų173127.3 Ų127.368%0.67868%0.676SS**  trans-106.995.9177.5-89.9-83.8000107.4G691 C695G691-Y693 VanDerWaalsContact O-CD2 3.3Å; G691-Y693 WeakPolarHBondContact O-CD2 3.12Å; G691-Y693 PolarHBondContact O-N 3.08Å; Y693-C695 PolarHBondContact O-N 3.13Å
694G33.4Very low39.6Very low66 Ų66127.9 Ų127.968%0.6867%0.67SS**  trans-50.3136.8170.400000111E696G694-E696 PolarHBondContact O-N 3.28Å; G694-E696 VanDerWaalsContact O-N 3.16Å
695C32.3Very low39.7Very low125 Ų125130.6 Ų130.685%0.84568%0.68SS**  trans-67.7107.7169.5-65.50000108.3Y693 E697Y693-C695 PolarHBondContact O-N 3.13Å; C695-E697 PolarHBondContact O-N 3.37Å
696E32.2Very low39.5Very low190 Ų190136.1 Ų136.189%0.88870%0.704SS**  trans-69.9123.1156-69.6-172.3148.200107.4G694 E698G694-E696 PolarHBondContact O-N 3.28Å; G694-E696 VanDerWaalsContact O-N 3.16Å; E696-E698 PolarHBondContact O-N 3.11Å
697E34.3Very low39.1Very low184 Ų184142.9 Ų142.986%0.8673%0.732SS**  trans-68119.3177.4-61.8178.7131.700109.2C695 E699C695-E697 PolarHBondContact O-N 3.37Å; E697-E699 PolarHBondContact O-N 3.23Å; E697-E699 VanDerWaalsContact O-N 3.1Å
698E33.8Very low38.6Very low193 Ų193145.9 Ų145.990%0.90275%0.747SS**  trans-72.8101.7169.9-87.4-172.3144.800109.4E696 V700E696-E698 PolarHBondContact O-N 3.11Å; E698-V700 PolarHBondContact O-N 3.39Å
699E33Very low37.9Very low172 Ų172142 Ų14280%0.80475%0.747SS**  trans-55.1129.4167-75.6-168.9138.600110.9E697E697-E699 PolarHBondContact O-N 3.23Å; E697-E699 VanDerWaalsContact O-N 3.1Å
700V34.6Very low36.5Very low136 Ų136145.3 Ų145.382%0.82477%0.765SS**  trans-79128.5177.9175.80000111E698E698-V700 PolarHBondContact O-N 3.39Å
701F29.6Very low34.9Very low257 Ų257155.3 Ų155.3100%1.12782%0.815SS**  trans-138.50161-88.4-71.9000111.9

Retrieved 701 of 701 residues in 1691.2 ms (Link to these results)

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