A0A087WXQ8_HUMAN Loading...

Proteasome 20S subunit beta 3

AlphaFold DB , UniProt , Accession A0A087WXQ8, Species HUMAN (Homo sapiens, Human), Gene PSMB3, Length 107 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
1M62.5Low91.5Very high228 Ų22877.9 Ų77.9100%1.12346%0.456SS*.  0142.10-94.5-179.7-97.900108.8
2S90.4Very high92Very high76 Ų7681.4 Ų81.453%0.53147%0.467SS..  trans-71.1148.1174.7176.30000110.3M4 S5S2-M4 PolarHBondContact O-N 2.83Å; S2-M4 VanDerWaalsContact O-N 3.12Å; S2-M4 PolarHBondContact OG-N 3.41Å; S2-S5 PolarHBondContact O-N 3.17Å; S2-S5 PolarHBondContact O-OG 3.47Å
3I93.4Very high92.5Very high114 Ų11480.8 Ų80.859%0.58548%0.478SS*.G310 helixtrans-58-25.3172.3-167.2158000112S5 Y6 L56I3-S5 PolarHBondContact O-N 3.34Å; I3-Y6 VanDerWaalsContact O-CB 3.23Å; I3-Y6 WeakPolarHBondContact O-CB 3.47Å; I3-Y6 PolarHBondContact O-N 3.17Å; I3-Y6 VanDerWaalsContact O-N 3.13Å; I3-L56 HydrophobicContact CD1-CD2 4.17Å; I3-L56 HydrophobicContact CG1-CD1 4.12Å; I3-L56 HydrophobicContact CG1-CD2 4.32Å
4M93.3Very high92.9Very high99 Ų9983.7 Ų83.749%0.48849%0.487SS..G310 helixtrans-64.7-23.9177.3-61.6-58.9-73.700113.6S2S2-M4 PolarHBondContact O-N 2.83Å; S2-M4 VanDerWaalsContact O-N 3.12Å; S2-M4 PolarHBondContact OG-N 3.41Å
5S93.3Very high93.2Very high60 Ų6090.8 Ų90.842%0.4251%0.509SS..G310 helixtrans-90.7-0.5177.464.20000113.4S2 I3 G8S2-S5 PolarHBondContact O-N 3.17Å; S2-S5 PolarHBondContact O-OG 3.47Å; I3-S5 PolarHBondContact O-N 3.34Å; S5-G8 PolarHBondContact O-N 2.95Å
6Y94.6Very high93.5Very high97 Ų9787.2 Ų87.238%0.3850%0.499SS..SBendtrans-62.5-47.1-175.2-177-100.5000112.6I3 I30 Q31 L56I3-Y6 VanDerWaalsContact O-CB 3.23Å; I3-Y6 WeakPolarHBondContact O-CB 3.47Å; I3-Y6 PolarHBondContact O-N 3.17Å; I3-Y6 VanDerWaalsContact O-N 3.13Å; Y6-I30 HydrophobicContact CE1-CG2 4.16Å; Y6-I30 WeakPolarHBondContact OH-CG2 3.4Å; Y6-Q31 HydrophobicContact CD2-CG 3.82Å; Y6-Q31 HydrophobicContact CE2-CG 3.68Å; Y6-Q31 WeakPolarHBondContact O-CA 3.23Å; Y6-Q31 PolarHBondContact O-N 3.43Å; Y6-L56 HydrophobicContact CD1-CD1 4.13Å
7N95.9Very high93.7Very high12 Ų1293.7 Ų93.76%0.06452%0.52CS..SBendtrans-94.4-20.4172.6-58112.3000112.7R27 F28 G29 L56 A57N7-R27 PolarHBondContact O-NH1 3.48Å; N7-F28 WeakPolarHBondContact ND2-CE2 3.23Å; N7-G29 VanDerWaalsContact CA-O 3.29Å; N7-G29 WeakPolarHBondContact CA-O 3.45Å; N7-G29 PolarHBondContact ND2-O 2.91Å; N7-L56 WeakPolarHBondContact OD1-CD1 3.37Å; N7-A57 HydrophobicContact CB-CB 4.33Å; N7-A57 PolarHBondContact OD1-N 2.92Å
8G93.3Very high93.9Very high23 Ų2397.3 Ų97.324%0.23754%0.538CS..  trans68.1-153.2-171.800000112.1S5S5-G8 PolarHBondContact O-N 2.95Å
9G94.6Very high94.1Very high36 Ų3696.7 Ų96.737%0.37154%0.541SS..  trans104.2150.9-179.400000113.1D25G9-D25 WeakPolarHBondContact CA-OD1 3.25Å
10A97.1Very high94.3Very high62 Ų6297.8 Ų97.851%0.51255%0.549SS..  trans-137140.4-177.300000109.4A24 D25A10-A24 VanDerWaalsContact O-CA 3.27Å; A10-A24 WeakPolarHBondContact O-CA 3.38Å; A10-D25 PolarHBondContact N-OD1 2.89Å; A10-D25 PolarHBondContact O-N 3Å; A10-D25 VanDerWaalsContact O-OD1 3.14Å
11V97.9Very high94.5Very high50 Ų5095.8 Ų95.830%0.30355%0.545SS..EExtended strand (participates in β ladder)trans-133138.3174.5172.90000107.1I22 A23 A24 K41 A54V11-I22 HydrophobicContact CG1-CD1 4.34Å; V11-I22 HydrophobicContact CG1-CG1 4.36Å; V11-A23 WeakPolarHBondContact CA-O 3.49Å; V11-A24 HydrophobicContact CG2-CB 3.86Å; V11-K41 HydrophobicContact CG2-CB 4.22Å; V11-A54 HydrophobicContact CB-CB 4.49Å; V11-A54 HydrophobicContact CG2-CB 3.97Å
12M98.1Very high96.2Very high120 Ų12087.6 Ų87.659%0.59151%0.505SS*.EExtended strand (participates in β ladder)trans-137.4142.5176.5-170.4-172.4-45.100109.6M14 I22 A23M12-M14 HydrophobicContact SD-CG 4.39Å; M12-M14 HydrophobicContact SD-SD 4.39Å; M12-I22 CarbonylContact O-C 3.6Å; M12-I22 WeakPolarHBondContact O-CA 3.5Å; M12-I22 WeakPolarHBondContact O-CG1 3.47Å; M12-A23 PolarHBondContact N-O 2.94Å; M12-A23 PolarHBondContact O-N 3.46Å
13A97.9Very high96.5Very high74 Ų7486.9 Ų86.961%0.61250%0.504SS*.EExtended strand (participates in β ladder)trans-127.2143.9169.900000110A21 I22A13-A21 CarbonylContact C-O 3.49Å; A13-A21 VanDerWaalsContact CA-O 3.23Å; A13-A21 WeakPolarHBondContact CA-O 3.45Å; A13-I22 HydrophobicContact CB-CB 4.38Å; A13-I22 HydrophobicContact CB-CG1 4.3Å
14M98.2Very high96.8Very high121 Ų12183.1 Ų83.160%0.59649%0.49SS*.EExtended strand (participates in β ladder)trans-132.6143.8-179.6-67.6-171.8-7200110.6M12 V20 A21M12-M14 HydrophobicContact SD-CG 4.39Å; M12-M14 HydrophobicContact SD-SD 4.39Å; M14-V20 WeakPolarHBondContact O-CA 3.28Å; M14-A21 PolarHBondContact N-O 3.31Å; M14-A21 PolarHBondContact O-N 2.89Å
15K98.1Very high97Very high190 Ų19081 Ų8183%0.82648%0.481SS*.EExtended strand (participates in β ladder)trans-103.3129.2176.6179.1-176.8174.4-172.50109.9
16G97.8Very high97.1Very high33 Ų3384.7 Ų84.734%0.3449%0.486SS..  trans-103.3-169.916700000112C19G16-C19 WeakPolarHBondContact CA-O 3.43Å; G16-C19 PolarHBondContact N-O 2.82Å
17K96.6Very high97.2Very high198 Ų19884.1 Ų84.186%0.86148%0.483SS*.SBendtrans-61.4-48.8-177.4-173.7173.4-179.6177.40112.9
18N97.4Very high97.2Very high159 Ų15985.8 Ų85.885%0.8549%0.489SS*.SBendtrans-13623.4-179.8-72.5-32.3000111.9
19C97.3Very high97.3Very high86 Ų8684.7 Ų84.758%0.58148%0.478SS*.  trans-146.8164.2-177.461.50000110.5G16G16-C19 WeakPolarHBondContact CA-O 3.43Å; G16-C19 PolarHBondContact N-O 2.82Å
20V98Very high97.3Very high117 Ų11786.4 Ų86.471%0.70948%0.478SS*.EExtended strand (participates in β ladder)trans-133.6147.1171.9-65.30000108.3M14M14-V20 WeakPolarHBondContact O-CA 3.28Å
21A98.1Very high97Very high56 Ų5689.9 Ų89.946%0.46348%0.483SS..EExtended strand (participates in β ladder)trans-123.6143.417400000109.3A13 M14A13-A21 CarbonylContact C-O 3.49Å; A13-A21 VanDerWaalsContact CA-O 3.23Å; A13-A21 WeakPolarHBondContact CA-O 3.45Å; M14-A21 PolarHBondContact N-O 3.31Å; M14-A21 PolarHBondContact O-N 2.89Å
22I98.3Very high96.8Very high56 Ų5692.2 Ų92.229%0.28751%0.508SS..EExtended strand (participates in β ladder)trans-133.8134.5173-173.4171.1000108.6V11 M12 A13 I42V11-I22 HydrophobicContact CG1-CD1 4.34Å; V11-I22 HydrophobicContact CG1-CG1 4.36Å; M12-I22 CarbonylContact O-C 3.6Å; M12-I22 WeakPolarHBondContact O-CA 3.5Å; M12-I22 WeakPolarHBondContact O-CG1 3.47Å; A13-I22 HydrophobicContact CB-CB 4.38Å; A13-I22 HydrophobicContact CB-CG1 4.3Å; I22-I42 HydrophobicContact CD1-CG1 4.34Å; I22-I42 HydrophobicContact CD1-CG2 4.32Å; I22-I42 HydrophobicContact CG1-CD1 4.06Å; I22-I42 HydrophobicContact CG1-CG1 4.33Å; I22-I42 HydrophobicContact CG2-CD1 4.29Å; I22-I42 HydrophobicContact CG2-CG2 4.17Å
23A98.2Very high96.6Very high62 Ų6293.2 Ų93.251%0.51251%0.511SS..EExtended strand (participates in β ladder)trans-135.9149.5-178.600000110.4V11 M12V11-A23 WeakPolarHBondContact CA-O 3.49Å; M12-A23 PolarHBondContact N-O 2.94Å; M12-A23 PolarHBondContact O-N 3.46Å
24A98.1Very high96.5Very high35 Ų3594.1 Ų94.129%0.28950%0.504SS..EExtended strand (participates in β ladder)trans-147.2149.8176.800000110.2A10 V11 K41 I42A10-A24 VanDerWaalsContact O-CA 3.27Å; A10-A24 WeakPolarHBondContact O-CA 3.38Å; V11-A24 HydrophobicContact CG2-CB 3.86Å; A24-K41 HydrophobicContact CB-CB 3.94Å; A24-K41 HydrophobicContact CB-CD 4.48Å; A24-I42 HydrophobicContact CB-CD1 3.76Å; A24-I42 HydrophobicContact CB-CG1 3.86Å
25D97.4Very high96.4Very high54 Ų5491.7 Ų91.729%0.28950%0.496SS..  trans-73.7156.2168.378.5-57.5000110.6G9 A10 R27 K41G9-D25 WeakPolarHBondContact CA-OD1 3.25Å; A10-D25 PolarHBondContact N-OD1 2.89Å; A10-D25 PolarHBondContact O-N 3Å; A10-D25 VanDerWaalsContact O-OD1 3.14Å; D25-R27 WeakPolarHBondContact OD2-CB 3.35Å; D25-R27 PolarHBondContact OD2-N 3.43Å; D25-K41 WeakPolarHBondContact O-CD 3.43Å; D25-K41 PolarHBondContact O-NZ 2.91Å; D25-K41 IonicContact OD1-NZ 2.7Å; D25-K41 PolarHBondContact OD1-NZ 3.17Å; D25-K41 IonicContact OD2-NZ 2.88Å; D25-K41 PolarHBondContact OD2-NZ 3.33Å
26R96.9Very high96.3Very high138 Ų13884.7 Ų84.752%0.52147%0.469SS..  trans-1054.4-176.6-55.4-167.467.883.84.5114.5F28 T37 D38 F39R26-F28 PolarHBondContact O-N 3.01Å; R26-T37 WeakPolarHBondContact CB-O 3.4Å; R26-T37 CarbonylContact O-C 3.08Å; R26-T37 WeakPolarHBondContact O-CA 3.49Å; R26-D38 PolarHBondContact NH2-O 3.38Å; R26-D38 PolarHBondContact O-N 3.02Å; R26-F39 PolarHBondContact O-N 3.24Å
27R96.3Very high96.3Very high85 Ų8587.7 Ų87.732%0.32148%0.481SS..  trans-69.2128.9179.4-178.6-177.7175.4-87.82.9109.9N7 D25 Q31 M34 K41N7-R27 PolarHBondContact O-NH1 3.48Å; D25-R27 WeakPolarHBondContact OD2-CB 3.35Å; D25-R27 PolarHBondContact OD2-N 3.43Å; R27-Q31 PolarHBondContact NH2-O 3.32Å; R27-M34 HydrophobicContact CG-CG 4.49Å; R27-K41 PolarHBondContact O-NZ 3.21Å
28F96Very high96.3Very high47 Ų4783.1 Ų83.121%0.20647%0.466CS..EExtended strand (participates in β ladder)trans-113.2116159.2174-121.4000108.3N7 R26 V35 T36 F39 A57N7-F28 WeakPolarHBondContact ND2-CE2 3.23Å; R26-F28 PolarHBondContact O-N 3.01Å; F28-V35 HydrophobicContact CD1-CB 3.67Å; F28-V35 HydrophobicContact CD1-CG1 3.92Å; F28-V35 HydrophobicContact CD1-CG2 4.33Å; F28-V35 HydrophobicContact CE1-CB 3.95Å; F28-V35 HydrophobicContact CE1-CG1 3.92Å; F28-V35 HydrophobicContact CE1-CG2 4.26Å; F28-V35 PolarHBondContact O-N 2.97Å; F28-T36 HydrophobicContact CD1-CG2 4.32Å; F28-T36 PolarHBondContact N-O 3.37Å; F28-T36 PolarHBondContact O-N 3.41Å; F28-T36 VanDerWaalsContact O-N 3.13Å; F28-F39 HydrophobicContact CB-CB 3.58Å; F28-F39 HydrophobicContact CB-CD2 4.01Å; F28-F39 HydrophobicContact CB-CG 3.86Å; F28-F39 HydrophobicContact CD2-CD2 4.21Å; F28-F39 HydrophobicContact CD2-CE2 4.36Å; F28-F39 HydrophobicContact CG-CD2 4.07Å; F28-F39 HydrophobicContact CG-CG 4.37Å; F28-A57 HydrophobicContact CD2-CB 4.05Å; F28-A57 HydrophobicContact CE2-CB 3.51Å
29G94.4Very high96.2Very high0 Ų077 Ų770%043%0.432CS..EExtended strand (participates in β ladder)trans-126.2161.3178.200000111.7N7 Q33N7-G29 VanDerWaalsContact CA-O 3.29Å; N7-G29 WeakPolarHBondContact CA-O 3.45Å; N7-G29 PolarHBondContact ND2-O 2.91Å; G29-Q33 CarbonylContact C-O 3.42Å; G29-Q33 WeakPolarHBondContact CA-O 3.5Å
30I94.1Very high96.2Very high72 Ų7277.8 Ų77.837%0.36943%0.427SS..EExtended strand (participates in β ladder)trans-114.3101.7166.7-65173.2000105.3Y6 A32 Q33 V35Y6-I30 HydrophobicContact CE1-CG2 4.16Å; Y6-I30 WeakPolarHBondContact OH-CG2 3.4Å; I30-A32 PolarHBondContact O-N 3.2Å; I30-Q33 PolarHBondContact N-O 3.39Å; I30-Q33 PolarHBondContact O-N 2.95Å; I30-V35 HydrophobicContact CB-CG2 4.49Å; I30-V35 HydrophobicContact CD1-CG2 3.92Å; I30-V35 HydrophobicContact CG1-CG2 3.89Å
31Q92.3Very high96.2Very high134 Ų13472.7 Ų72.763%0.62640%0.395SS*.THydrogen-bonded Turntrans52.3-121.3-170.4-56.6178.6-13.700111Y6 R27Y6-Q31 HydrophobicContact CD2-CG 3.82Å; Y6-Q31 HydrophobicContact CE2-CG 3.68Å; Y6-Q31 WeakPolarHBondContact O-CA 3.23Å; Y6-Q31 PolarHBondContact O-N 3.43Å; R27-Q31 PolarHBondContact NH2-O 3.32Å
32A92.4Very high96.2Very high99 Ų9972 Ų7282%0.81838%0.383SS*.THydrogen-bonded Turntrans-73-27179.500000113I30I30-A32 PolarHBondContact O-N 3.2Å
33Q95Very high96.1Very high141 Ų14171 Ų7166%0.65938%0.377SS*.EExtended strand (participates in β ladder)trans-79.2126.9-175.5-174.5175-19.300111G29 I30G29-Q33 CarbonylContact C-O 3.42Å; G29-Q33 WeakPolarHBondContact CA-O 3.5Å; I30-Q33 PolarHBondContact N-O 3.39Å; I30-Q33 PolarHBondContact O-N 2.95Å
34M95.4Very high96.1Very high94 Ų9471.1 Ų71.146%0.46337%0.372SS..EExtended strand (participates in β ladder)trans-82.7135.7170.9178.2-128.8147.600109.6R27 T36 T37R27-M34 HydrophobicContact CG-CG 4.49Å; M34-T36 VanDerWaalsContact CE-CA 3.47Å; M34-T37 HydrophobicContact CE-CG2 3.28Å; M34-T37 HydrophobicContact SD-CG2 4.01Å
35V96.6Very high96Very high69 Ų6969.6 Ų69.642%0.41836%0.359SS..EExtended strand (participates in β ladder)trans-107.6-51.9178.3-175.30000110.4F28 I30F28-V35 HydrophobicContact CD1-CB 3.67Å; F28-V35 HydrophobicContact CD1-CG1 3.92Å; F28-V35 HydrophobicContact CD1-CG2 4.33Å; F28-V35 HydrophobicContact CE1-CB 3.95Å; F28-V35 HydrophobicContact CE1-CG1 3.92Å; F28-V35 HydrophobicContact CE1-CG2 4.26Å; F28-V35 PolarHBondContact O-N 2.97Å; I30-V35 HydrophobicContact CB-CG2 4.49Å; I30-V35 HydrophobicContact CD1-CG2 3.92Å; I30-V35 HydrophobicContact CG1-CG2 3.89Å
36T96.6Very high95.7Very high43 Ų4368 Ų6826%0.26436%0.355SS..EExtended strand (participates in β ladder)trans-143160.117693.90000112.5F28 M34 D38F28-T36 HydrophobicContact CD1-CG2 4.32Å; F28-T36 PolarHBondContact N-O 3.37Å; F28-T36 PolarHBondContact O-N 3.41Å; F28-T36 VanDerWaalsContact O-N 3.13Å; M34-T36 VanDerWaalsContact CE-CA 3.47Å; T36-D38 WeakPolarHBondContact CB-OD1 3.37Å; T36-D38 PolarHBondContact OG1-OD1 2.88Å
37T96.7Very high95.5Very high97 Ų9767.2 Ų67.260%0.59536%0.362SS*.SBendtrans-112.815.7177.545.20000112.7R26 M34R26-T37 WeakPolarHBondContact CB-O 3.4Å; R26-T37 CarbonylContact O-C 3.08Å; R26-T37 WeakPolarHBondContact O-CA 3.49Å; M34-T37 HydrophobicContact CE-CG2 3.28Å; M34-T37 HydrophobicContact SD-CG2 4.01Å
38D96.4Very high95.5Very high102 Ų10274.4 Ų74.455%0.54539%0.389SS..  trans-127.216.4-173.667.2-19.1000113.3R26 T36 Q40R26-D38 PolarHBondContact NH2-O 3.38Å; R26-D38 PolarHBondContact O-N 3.02Å; T36-D38 WeakPolarHBondContact CB-OD1 3.37Å; T36-D38 PolarHBondContact OG1-OD1 2.88Å; D38-Q40 PolarHBondContact O-N 2.85Å
39F96.4Very high95.5Very high31 Ų3173.5 Ų73.514%0.13639%0.386CS..  trans-70126.2-176.7-172.9-95.3000112.3R26 F28 K41 A57 V60 Q61R26-F39 PolarHBondContact O-N 3.24Å; F28-F39 HydrophobicContact CB-CB 3.58Å; F28-F39 HydrophobicContact CB-CD2 4.01Å; F28-F39 HydrophobicContact CB-CG 3.86Å; F28-F39 HydrophobicContact CD2-CD2 4.21Å; F28-F39 HydrophobicContact CD2-CE2 4.36Å; F28-F39 HydrophobicContact CG-CD2 4.07Å; F28-F39 HydrophobicContact CG-CG 4.37Å; F39-K41 HydrophobicContact CD1-CG 3.75Å; F39-K41 HydrophobicContact CE1-CG 3.99Å; F39-A57 HydrophobicContact CZ-CB 4.06Å; F39-V60 HydrophobicContact CE1-CG1 4.18Å; F39-V60 HydrophobicContact CZ-CG1 4.38Å; F39-Q61 HydrophobicContact CZ-CG 4.44Å
40Q96.4Very high95.7Very high101 Ų10179.6 Ų79.647%0.47241%0.41SS..  trans-80.4121.6-179.8-178177.4-3.900111.1D38 I42 F43D38-Q40 PolarHBondContact O-N 2.85Å; Q40-I42 VanDerWaalsContact CG-O 3.31Å; Q40-I42 WeakPolarHBondContact CG-O 3.33Å; Q40-I42 PolarHBondContact NE2-O 2.81Å; Q40-F43 HydrophobicContact CG-CD1 4.44Å; Q40-F43 HydrophobicContact CG-CE1 4.11Å; Q40-F43 HydrophobicContact CG-CZ 4.49Å; Q40-F43 WeakPolarHBondContact O-CZ 3.43Å
41K97.5Very high95.9Very high11 Ų1177.4 Ų77.45%0.04840%0.399CS..  trans-112.5-10.5174.9-64.2-178.4-177.61260113.9V11 A24 D25 R27 F39 F43 G52 L53V11-K41 HydrophobicContact CG2-CB 4.22Å; A24-K41 HydrophobicContact CB-CB 3.94Å; A24-K41 HydrophobicContact CB-CD 4.48Å; D25-K41 WeakPolarHBondContact O-CD 3.43Å; D25-K41 PolarHBondContact O-NZ 2.91Å; D25-K41 IonicContact OD1-NZ 2.7Å; D25-K41 PolarHBondContact OD1-NZ 3.17Å; D25-K41 IonicContact OD2-NZ 2.88Å; D25-K41 PolarHBondContact OD2-NZ 3.33Å; R27-K41 PolarHBondContact O-NZ 3.21Å; F39-K41 HydrophobicContact CD1-CG 3.75Å; F39-K41 HydrophobicContact CE1-CG 3.99Å; K41-F43 WeakPolarHBondContact O-CE2 3.34Å; K41-G52 CarbonylContact O-C 3.57Å; K41-G52 VanDerWaalsContact O-CA 3.32Å; K41-G52 WeakPolarHBondContact O-CA 3.38Å; K41-L53 PolarHBondContact O-N 3.38Å
42I98.1Very high96.1Very high40 Ų4072.1 Ų72.121%0.20538%0.38CS..EExtended strand (participates in β ladder)trans-113.2127.2-178.1-59.8168.9000108.6I22 A24 Q40 Y50 I51I22-I42 HydrophobicContact CD1-CG1 4.34Å; I22-I42 HydrophobicContact CD1-CG2 4.32Å; I22-I42 HydrophobicContact CG1-CD1 4.06Å; I22-I42 HydrophobicContact CG1-CG1 4.33Å; I22-I42 HydrophobicContact CG2-CD1 4.29Å; I22-I42 HydrophobicContact CG2-CG2 4.17Å; A24-I42 HydrophobicContact CB-CD1 3.76Å; A24-I42 HydrophobicContact CB-CG1 3.86Å; Q40-I42 VanDerWaalsContact CG-O 3.31Å; Q40-I42 WeakPolarHBondContact CG-O 3.33Å; Q40-I42 PolarHBondContact NE2-O 2.81Å; I42-Y50 HydrophobicContact CG2-CD1 3.93Å; I42-Y50 HydrophobicContact CG2-CG 4.35Å; I42-I51 WeakPolarHBondContact CA-O 3.26Å
43F98Very high96.4Very high35 Ų3568.7 Ų68.715%0.15435%0.348CS..EExtended strand (participates in β ladder)trans-124.5134.9-174.2-55.5-85.6000110.9Q40 K41 M45 Y50 I51 L53 V60 A64Q40-F43 HydrophobicContact CG-CD1 4.44Å; Q40-F43 HydrophobicContact CG-CE1 4.11Å; Q40-F43 HydrophobicContact CG-CZ 4.49Å; Q40-F43 WeakPolarHBondContact O-CZ 3.43Å; K41-F43 WeakPolarHBondContact O-CE2 3.34Å; F43-M45 HydrophobicContact CB-CE 3.96Å; F43-Y50 WeakPolarHBondContact O-CA 3.47Å; F43-I51 HydrophobicContact CB-CG2 4.09Å; F43-I51 PolarHBondContact N-O 2.95Å; F43-I51 PolarHBondContact O-N 2.99Å; F43-L53 HydrophobicContact CD2-CD1 4.19Å; F43-L53 HydrophobicContact CE2-CB 4.46Å; F43-L53 HydrophobicContact CE2-CD1 4.14Å; F43-V60 HydrophobicContact CE2-CG1 3.94Å; F43-V60 HydrophobicContact CZ-CG1 4.05Å; F43-A64 HydrophobicContact CD1-CB 4.02Å; F43-A64 HydrophobicContact CD2-CB 3.92Å; F43-A64 HydrophobicContact CE1-CB 4Å; F43-A64 HydrophobicContact CE2-CB 3.9Å; F43-A64 HydrophobicContact CG-CB 3.98Å; F43-A64 HydrophobicContact CZ-CB 3.94Å
44P96.8Very high96.5Very high65 Ų6564 Ų6442%0.42233%0.333SS..EExtended strand (participates in β ladder)trans-75.1129.8176.729.7-33.1000111.5Y50P44-Y50 HydrophobicContact CB-CD1 4.1Å; P44-Y50 HydrophobicContact CB-CE1 3.81Å
45M95.6Very high96.5Very high3 Ų359.9 Ų59.92%0.01532%0.315CS..EExtended strand (participates in β ladder)trans-118.412.6178.7-63-60.5168.500112.4F43 L49 I51 L67 L71 L87F43-M45 HydrophobicContact CB-CE 3.96Å; M45-L49 HydrophobicContact CB-CD2 4.46Å; M45-L49 HydrophobicContact CB-CG 4.23Å; M45-L49 PolarHBondContact N-O 3.33Å; M45-I51 HydrophobicContact CE-CG2 3.37Å; M45-I51 HydrophobicContact CG-CB 4.16Å; M45-I51 HydrophobicContact CG-CG2 3.65Å; M45-I51 HydrophobicContact SD-CG2 4.33Å; M45-L67 HydrophobicContact CE-CB 4.14Å; M45-L67 HydrophobicContact CE-CD2 3.86Å; M45-L67 HydrophobicContact CG-CD2 4.42Å; M45-L67 HydrophobicContact SD-CD2 3.99Å; M45-L71 HydrophobicContact CB-CD2 3.93Å; M45-L71 HydrophobicContact CG-CD2 4.5Å; M45-L71 VanDerWaalsContact O-CD2 3.23Å; M45-L71 WeakPolarHBondContact O-CD2 3.18Å; M45-L71 HydrophobicContact SD-CD2 3.78Å; M45-L87 HydrophobicContact CB-CD2 3.71Å; M45-L87 HydrophobicContact CG-CD2 4.01Å
46G92.8Very high96.5Very high20 Ų2057.9 Ų57.921%0.20630%0.302CS..EExtended strand (participates in β ladder)trans156.5175.8-179.700000109.5R48 L49G46-R48 PolarHBondContact O-N 2.81Å; G46-L49 PolarHBondContact N-O 3.22Å; G46-L49 PolarHBondContact O-N 2.97Å
47D91.9Very high96.4Very high122 Ų12256.2 Ų56.265%0.65229%0.293SS*.THydrogen-bonded Turntrans-62.4-31.7-173.3-62.2-28.5000113.5Q81D47-Q81 PolarHBondContact OD2-NE2 3.33Å
48R95.7Very high96.4Very high236 Ų23655.3 Ų55.389%0.89129%0.287SS*.THydrogen-bonded Turntrans-126.925.3-178.4-58.8-176.9-174.8-179.21.5112.2G46G46-R48 PolarHBondContact O-N 2.81Å
49L97Very high96.4Very high29 Ų2954.6 Ų54.615%0.15228%0.283CS..EExtended strand (participates in β ladder)trans-138.9123.4-173.5-172.557.3000110.7M45 G46 I82 P84 L87M45-L49 HydrophobicContact CB-CD2 4.46Å; M45-L49 HydrophobicContact CB-CG 4.23Å; M45-L49 PolarHBondContact N-O 3.33Å; G46-L49 PolarHBondContact N-O 3.22Å; G46-L49 PolarHBondContact O-N 2.97Å; L49-I82 HydrophobicContact CD2-CG2 3.74Å; L49-P84 HydrophobicContact CD1-CB 3.97Å; L49-P84 HydrophobicContact CD1-CG 4.08Å; L49-L87 HydrophobicContact CD1-CD2 4.25Å; L49-L87 HydrophobicContact CD2-CB 4.16Å; L49-L87 HydrophobicContact CD2-CD2 3.51Å; L49-L87 HydrophobicContact CD2-CG 4.43Å; L49-L87 HydrophobicContact CG-CD2 3.79Å
50Y97.9Very high96.5Very high128 Ų12853.5 Ų53.550%0.50228%0.279SS..EExtended strand (participates in β ladder)trans-128.7150.8179.2-67.6-95.9000109.9I42 F43 P44I42-Y50 HydrophobicContact CG2-CD1 3.93Å; I42-Y50 HydrophobicContact CG2-CG 4.35Å; F43-Y50 WeakPolarHBondContact O-CA 3.47Å; P44-Y50 HydrophobicContact CB-CD1 4.1Å; P44-Y50 HydrophobicContact CB-CE1 3.81Å
51I97.8Very high96.5Very high25 Ų2553.6 Ų53.613%0.12828%0.279CS..EExtended strand (participates in β ladder)trans-121.5134.6170-166.4171.9000109.4I42 F43 M45 L53 L67 V91I42-I51 WeakPolarHBondContact CA-O 3.26Å; F43-I51 HydrophobicContact CB-CG2 4.09Å; F43-I51 PolarHBondContact N-O 2.95Å; F43-I51 PolarHBondContact O-N 2.99Å; M45-I51 HydrophobicContact CE-CG2 3.37Å; M45-I51 HydrophobicContact CG-CB 4.16Å; M45-I51 HydrophobicContact CG-CG2 3.65Å; M45-I51 HydrophobicContact SD-CG2 4.33Å; I51-L53 HydrophobicContact CD1-CD2 4.04Å; I51-L53 HydrophobicContact CG1-CD2 4.15Å; I51-L53 HydrophobicContact CG1-CG 4.49Å; I51-L67 HydrophobicContact CD1-CD2 3.79Å; I51-V91 HydrophobicContact CD1-CG2 3.73Å
52G97.8Very high96.5Very high23 Ų2355.9 Ų55.924%0.23729%0.294CS..EExtended strand (participates in β ladder)trans-108.6132.6172.600000110.3K41K41-G52 CarbonylContact O-C 3.57Å; K41-G52 VanDerWaalsContact O-CA 3.32Å; K41-G52 WeakPolarHBondContact O-CA 3.38Å
53L97.8Very high96.4Very high28 Ų2855.2 Ų55.215%0.14729%0.292CS..  trans-124.2127.7-177.3-60.1173.4000109.2K41 F43 I51 V60 V63 A64K41-L53 PolarHBondContact O-N 3.38Å; F43-L53 HydrophobicContact CD2-CD1 4.19Å; F43-L53 HydrophobicContact CE2-CB 4.46Å; F43-L53 HydrophobicContact CE2-CD1 4.14Å; I51-L53 HydrophobicContact CD1-CD2 4.04Å; I51-L53 HydrophobicContact CG1-CD2 4.15Å; I51-L53 HydrophobicContact CG1-CG 4.49Å; L53-V60 HydrophobicContact CB-CB 4.36Å; L53-V60 HydrophobicContact CB-CG1 3.97Å; L53-V60 HydrophobicContact CB-CG2 4.07Å; L53-V60 WeakPolarHBondContact CD1-O 3.28Å; L53-V63 HydrophobicContact CD1-CB 4.22Å; L53-V63 HydrophobicContact CD1-CG1 4.06Å; L53-V63 HydrophobicContact CD2-CG1 4.35Å; L53-A64 HydrophobicContact CD1-CB 3.96Å
54A96.6Very high96.4Very high42 Ų4254 Ų5435%0.34729%0.288SS..  trans-126.8156.4176.500000110.3V11V11-A54 HydrophobicContact CB-CB 4.49Å; V11-A54 HydrophobicContact CG2-CB 3.97Å
55G95.4Very high96.4Very high8 Ų857.7 Ų57.78%0.08230%0.3CS..SBendtrans124.8-143.4-177.600000112.1A57G55-A57 PolarHBondContact O-N 2.94Å
56L96.7Very high96.5Very high27 Ų2763.2 Ų63.214%0.14132%0.321CS..  trans-64.2125.8178.2-171.969.5000110.3I3 Y6 N7 T58 D59 V60I3-L56 HydrophobicContact CD1-CD2 4.17Å; I3-L56 HydrophobicContact CG1-CD1 4.12Å; I3-L56 HydrophobicContact CG1-CD2 4.32Å; Y6-L56 HydrophobicContact CD1-CD1 4.13Å; N7-L56 WeakPolarHBondContact OD1-CD1 3.37Å; L56-T58 WeakPolarHBondContact CD2-OG1 3.2Å; L56-T58 WeakPolarHBondContact CG-OG1 3.27Å; L56-T58 PolarHBondContact O-N 2.92Å; L56-D59 HydrophobicContact CB-CB 4.35Å; L56-D59 PolarHBondContact O-N 3.07Å; L56-V60 WeakPolarHBondContact O-CG2 3.47Å; L56-V60 PolarHBondContact O-N 3.49Å
57A95.5Very high96.7Very high8 Ų862.3 Ų62.37%0.06631%0.311CS..Hα-helixtrans-61.3-33-172.600000113.2N7 F28 F39 G55 D59 V60 Q61N7-A57 HydrophobicContact CB-CB 4.33Å; N7-A57 PolarHBondContact OD1-N 2.92Å; F28-A57 HydrophobicContact CD2-CB 4.05Å; F28-A57 HydrophobicContact CE2-CB 3.51Å; F39-A57 HydrophobicContact CZ-CB 4.06Å; G55-A57 PolarHBondContact O-N 2.94Å; A57-D59 VanDerWaalsContact C-N 3.35Å; A57-V60 PolarHBondContact O-N 3Å; A57-Q61 WeakPolarHBondContact O-CG 3.5Å; A57-Q61 PolarHBondContact O-N 3.44Å; A57-Q61 VanDerWaalsContact O-N 3.11Å
58T96.7Very high96.9Very high78 Ų7860.4 Ų60.448%0.47930%0.297SS..Hα-helixtrans-65-40.5176.456.10000111.5L56 T62L56-T58 WeakPolarHBondContact CD2-OG1 3.2Å; L56-T58 WeakPolarHBondContact CG-OG1 3.27Å; L56-T58 PolarHBondContact O-N 2.92Å; T58-T62 VanDerWaalsContact O-CB 3.28Å; T58-T62 WeakPolarHBondContact O-CB 3.32Å; T58-T62 PolarHBondContact O-N 2.91Å; T58-T62 PolarHBondContact O-OG1 3.28Å
59D96.6Very high97Very high87 Ų8755.5 Ų55.547%0.46528%0.282SS..Hα-helixtrans-73-38.4178.8-69.3-10.2000110.6L56 A57 Q61 T62 V63L56-D59 HydrophobicContact CB-CB 4.35Å; L56-D59 PolarHBondContact O-N 3.07Å; A57-D59 VanDerWaalsContact C-N 3.35Å; D59-Q61 VanDerWaalsContact C-N 3.35Å; D59-Q61 PolarHBondContact O-N 3.35Å; D59-T62 PolarHBondContact O-N 3.02Å; D59-V63 VanDerWaalsContact O-CB 3.24Å; D59-V63 WeakPolarHBondContact O-CB 3.43Å; D59-V63 VanDerWaalsContact O-CG2 3.25Å; D59-V63 WeakPolarHBondContact O-CG2 3.42Å; D59-V63 PolarHBondContact O-N 3.08Å
60V97Very high96.9Very high7 Ų757.7 Ų57.74%0.04229%0.289CS..Hα-helixtrans-54.3-51.3173.4167.60000110.8F39 F43 L53 L56 A57 A64F39-V60 HydrophobicContact CE1-CG1 4.18Å; F39-V60 HydrophobicContact CZ-CG1 4.38Å; F43-V60 HydrophobicContact CE2-CG1 3.94Å; F43-V60 HydrophobicContact CZ-CG1 4.05Å; L53-V60 HydrophobicContact CB-CB 4.36Å; L53-V60 HydrophobicContact CB-CG1 3.97Å; L53-V60 HydrophobicContact CB-CG2 4.07Å; L53-V60 WeakPolarHBondContact CD1-O 3.28Å; L56-V60 WeakPolarHBondContact O-CG2 3.47Å; L56-V60 PolarHBondContact O-N 3.49Å; A57-V60 PolarHBondContact O-N 3Å; V60-A64 VanDerWaalsContact O-CB 3.25Å; V60-A64 WeakPolarHBondContact O-CB 3.24Å; V60-A64 PolarHBondContact O-N 2.92Å; V60-A64 VanDerWaalsContact O-N 3.09Å
61Q96.8Very high96.9Very high103 Ų10351.6 Ų51.648%0.48127%0.265SS..Hα-helixtrans-65.9-47.3178.8-70178-27.900112F39 A57 D59 A64 Q65F39-Q61 HydrophobicContact CZ-CG 4.44Å; A57-Q61 WeakPolarHBondContact O-CG 3.5Å; A57-Q61 PolarHBondContact O-N 3.44Å; A57-Q61 VanDerWaalsContact O-N 3.11Å; D59-Q61 VanDerWaalsContact C-N 3.35Å; D59-Q61 PolarHBondContact O-N 3.35Å; Q61-A64 PolarHBondContact O-N 2.72Å; Q61-Q65 WeakPolarHBondContact O-CG 3.3Å; Q61-Q65 PolarHBondContact O-N 2.9Å
62T97.5Very high96.8Very high60 Ų6053.7 Ų53.737%0.36828%0.276SS..Hα-helixtrans-63.9-45.5-176.7-58.80000111.9T58 D59 Q65 R66T58-T62 VanDerWaalsContact O-CB 3.28Å; T58-T62 WeakPolarHBondContact O-CB 3.32Å; T58-T62 PolarHBondContact O-N 2.91Å; T58-T62 PolarHBondContact O-OG1 3.28Å; D59-T62 PolarHBondContact O-N 3.02Å; T62-Q65 PolarHBondContact O-N 3.22Å; T62-R66 WeakPolarHBondContact O-CB 3.41Å; T62-R66 VanDerWaalsContact O-CG 3.32Å; T62-R66 WeakPolarHBondContact O-CG 3.27Å; T62-R66 PolarHBondContact O-N 2.91Å
63V97.4Very high96.8Very high26 Ų2656.9 Ų56.916%0.15829%0.287CS..Hα-helixtrans-65.2-44.8177.8172.80000109.9L53 D59 Q65 R66 L67 L94 L95L53-V63 HydrophobicContact CD1-CB 4.22Å; L53-V63 HydrophobicContact CD1-CG1 4.06Å; L53-V63 HydrophobicContact CD2-CG1 4.35Å; D59-V63 VanDerWaalsContact O-CB 3.24Å; D59-V63 WeakPolarHBondContact O-CB 3.43Å; D59-V63 VanDerWaalsContact O-CG2 3.25Å; D59-V63 WeakPolarHBondContact O-CG2 3.42Å; D59-V63 PolarHBondContact O-N 3.08Å; V63-Q65 VanDerWaalsContact C-N 3.35Å; V63-Q65 PolarHBondContact O-N 3.24Å; V63-R66 PolarHBondContact O-N 3.2Å; V63-L67 VanDerWaalsContact O-CB 3.3Å; V63-L67 WeakPolarHBondContact O-CB 3.45Å; V63-L67 PolarHBondContact O-N 2.7Å; V63-L94 HydrophobicContact CG1-CD2 4.25Å; V63-L95 HydrophobicContact CG2-CD2 4.34Å
64A97.3Very high96.7Very high9 Ų957.5 Ų57.57%0.07429%0.288CS..Hα-helixtrans-56.6-47177.200000112.3F43 L53 V60 Q61 L67 K68F43-A64 HydrophobicContact CD1-CB 4.02Å; F43-A64 HydrophobicContact CD2-CB 3.92Å; F43-A64 HydrophobicContact CE1-CB 4Å; F43-A64 HydrophobicContact CE2-CB 3.9Å; F43-A64 HydrophobicContact CG-CB 3.98Å; F43-A64 HydrophobicContact CZ-CB 3.94Å; L53-A64 HydrophobicContact CD1-CB 3.96Å; V60-A64 VanDerWaalsContact O-CB 3.25Å; V60-A64 WeakPolarHBondContact O-CB 3.24Å; V60-A64 PolarHBondContact O-N 2.92Å; V60-A64 VanDerWaalsContact O-N 3.09Å; Q61-A64 PolarHBondContact O-N 2.72Å; A64-L67 PolarHBondContact O-N 3.03Å; A64-K68 WeakPolarHBondContact O-CB 3.46Å; A64-K68 PolarHBondContact O-N 3.21Å
65Q97.3Very high96.6Very high142 Ų14258 Ų5866%0.66428%0.283SS*.Hα-helixtrans-64.6-46.6178.6-72.2176.1-16.100112.3Q61 T62 V63 L67 K68 F69Q61-Q65 WeakPolarHBondContact O-CG 3.3Å; Q61-Q65 PolarHBondContact O-N 2.9Å; T62-Q65 PolarHBondContact O-N 3.22Å; V63-Q65 VanDerWaalsContact C-N 3.35Å; V63-Q65 PolarHBondContact O-N 3.24Å; Q65-L67 VanDerWaalsContact C-N 3.33Å; Q65-L67 PolarHBondContact O-N 2.96Å; Q65-K68 PolarHBondContact O-N 2.73Å; Q65-F69 PolarHBondContact O-N 3.26Å
66R97.1Very high96.7Very high119 Ų11964.5 Ų64.545%0.44932%0.315SS..Hα-helixtrans-63.3-39.5177.5-74.4177.8177.7-128.3-5.2112.1T62 V63 F69 R70 L94T62-R66 WeakPolarHBondContact O-CB 3.41Å; T62-R66 VanDerWaalsContact O-CG 3.32Å; T62-R66 WeakPolarHBondContact O-CG 3.27Å; T62-R66 PolarHBondContact O-N 2.91Å; V63-R66 PolarHBondContact O-N 3.2Å; R66-F69 PolarHBondContact O-N 3.18Å; R66-R70 PolarHBondContact O-N 2.95Å; R66-R70 VanDerWaalsContact O-N 3.09Å; R66-L94 HydrophobicContact CB-CD1 4.47Å; R66-L94 HydrophobicContact CB-CD2 4.2Å
67L96.8Very high96.7Very high1 Ų171.8 Ų71.81%0.00535%0.346CS..Hα-helixtrans-64.9-46176.8-139.893000110.5M45 I51 V63 A64 Q65 F69 R70 L71 L87 V91 L94M45-L67 HydrophobicContact CE-CB 4.14Å; M45-L67 HydrophobicContact CE-CD2 3.86Å; M45-L67 HydrophobicContact CG-CD2 4.42Å; M45-L67 HydrophobicContact SD-CD2 3.99Å; I51-L67 HydrophobicContact CD1-CD2 3.79Å; V63-L67 VanDerWaalsContact O-CB 3.3Å; V63-L67 WeakPolarHBondContact O-CB 3.45Å; V63-L67 PolarHBondContact O-N 2.7Å; A64-L67 PolarHBondContact O-N 3.03Å; Q65-L67 VanDerWaalsContact C-N 3.33Å; Q65-L67 PolarHBondContact O-N 2.96Å; L67-F69 VanDerWaalsContact C-N 3.28Å; L67-F69 PolarHBondContact O-N 3.06Å; L67-R70 PolarHBondContact O-N 3.39Å; L67-L71 VanDerWaalsContact O-CB 3.27Å; L67-L71 WeakPolarHBondContact O-CB 3Å; L67-L71 PolarHBondContact O-N 2.82Å; L67-L87 HydrophobicContact CD2-CD1 3.77Å; L67-L87 HydrophobicContact CD2-CG 4.49Å; L67-V91 HydrophobicContact CD1-CB 4.24Å; L67-V91 HydrophobicContact CD1-CG2 3.52Å; L67-V91 HydrophobicContact CD2-CG2 3.71Å; L67-V91 HydrophobicContact CG-CG2 4.18Å; L67-L94 HydrophobicContact CD1-CD2 3.65Å
68K96.3Very high96.7Very high83 Ų8375.8 Ų75.836%0.36136%0.363SS..Hα-helixtrans-60.6-40.2179.1-171.360174.1176.30111.4A64 Q65 L71 N72A64-K68 WeakPolarHBondContact O-CB 3.46Å; A64-K68 PolarHBondContact O-N 3.21Å; Q65-K68 PolarHBondContact O-N 2.73Å; K68-L71 HydrophobicContact CD-CD2 4.34Å; K68-L71 PolarHBondContact O-N 2.7Å; K68-N72 WeakPolarHBondContact CE-OD1 3.31Å; K68-N72 WeakPolarHBondContact O-CB 3.26Å; K68-N72 PolarHBondContact O-N 2.92Å; K68-N72 PolarHBondContact O-OD1 2.84Å
69F97.3Very high96.5Very high132 Ų13275.4 Ų75.458%0.57938%0.375SS*.Hα-helixtrans-60.5-51.2174.1178.3-99.8000112.4Q65 R66 L67 L71 N72 L73Q65-F69 PolarHBondContact O-N 3.26Å; R66-F69 PolarHBondContact O-N 3.18Å; L67-F69 VanDerWaalsContact C-N 3.28Å; L67-F69 PolarHBondContact O-N 3.06Å; F69-L71 VanDerWaalsContact C-N 3.33Å; F69-L71 PolarHBondContact O-N 3.48Å; F69-N72 PolarHBondContact O-N 3.26Å; F69-L73 HydrophobicContact CD1-CD1 3.96Å; F69-L73 HydrophobicContact CE1-CD1 3.36Å; F69-L73 HydrophobicContact CE1-CG 4.36Å; F69-L73 HydrophobicContact CE2-CD1 4.23Å; F69-L73 HydrophobicContact CZ-CD1 3.53Å; F69-L73 HydrophobicContact CZ-CG 4.3Å; F69-L73 WeakPolarHBondContact O-CG 3.45Å; F69-L73 PolarHBondContact O-N 3.12Å; F69-L73 VanDerWaalsContact O-N 3.09Å
70R96.3Very high96.4Very high76 Ų7676.3 Ų76.329%0.28737%0.372SS..Hα-helixtrans-63.5-38.5178.5-72.3-172.4177.3-166.70.2112.7R66 L67 Y74 M90 L94 E97R66-R70 PolarHBondContact O-N 2.95Å; R66-R70 VanDerWaalsContact O-N 3.09Å; L67-R70 PolarHBondContact O-N 3.39Å; R70-Y74 WeakPolarHBondContact O-CB 3.49Å; R70-Y74 PolarHBondContact O-N 3.33Å; R70-M90 HydrophobicContact CB-SD 3.69Å; R70-L94 VanDerWaalsContact CZ-CD1 3.43Å; R70-E97 IonicContact CZ-OE1 3.33Å; R70-E97 IonicContact CZ-OE2 3.62Å; R70-E97 IonicContact NH1-OE1 2.72Å; R70-E97 PolarHBondContact NH1-OE1 2.75Å; R70-E97 IonicContact NH1-OE2 3.67Å; R70-E97 VanDerWaalsContact NH2-CD 3.28Å; R70-E97 IonicContact NH2-OE1 3.03Å; R70-E97 PolarHBondContact NH2-OE1 3.2Å; R70-E97 IonicContact NH2-OE2 2.7Å; R70-E97 PolarHBondContact NH2-OE2 2.94Å
71L96.4Very high96.2Very high0 Ų081 Ų810%039%0.394CS..Hα-helixtrans-61.2-51.7175.8175.165.3000111.1M45 L67 K68 F69 L73 Y74 E75 I82M45-L71 HydrophobicContact CB-CD2 3.93Å; M45-L71 HydrophobicContact CG-CD2 4.5Å; M45-L71 VanDerWaalsContact O-CD2 3.23Å; M45-L71 WeakPolarHBondContact O-CD2 3.18Å; M45-L71 HydrophobicContact SD-CD2 3.78Å; L67-L71 VanDerWaalsContact O-CB 3.27Å; L67-L71 WeakPolarHBondContact O-CB 3Å; L67-L71 PolarHBondContact O-N 2.82Å; K68-L71 HydrophobicContact CD-CD2 4.34Å; K68-L71 PolarHBondContact O-N 2.7Å; F69-L71 VanDerWaalsContact C-N 3.33Å; F69-L71 PolarHBondContact O-N 3.48Å; L71-L73 VanDerWaalsContact C-N 3.29Å; L71-L73 PolarHBondContact O-N 2.95Å; L71-Y74 WeakPolarHBondContact O-CB 3.29Å; L71-Y74 PolarHBondContact O-N 2.94Å; L71-Y74 VanDerWaalsContact O-N 3.07Å; L71-E75 HydrophobicContact CD1-CG 4.21Å; L71-E75 WeakPolarHBondContact O-CG 3.47Å; L71-E75 PolarHBondContact O-N 3.47Å; L71-I82 HydrophobicContact CD1-CB 3.67Å; L71-I82 HydrophobicContact CD1-CD1 3.85Å; L71-I82 HydrophobicContact CD1-CG1 4.38Å; L71-I82 HydrophobicContact CD1-CG2 3.38Å
72N96.4Very high96.2Very high69 Ų6976.7 Ų76.737%0.36937%0.374SS..Hα-helixtrans-59.7-42.2-179.7-68.2-4.9000111.1K68 F69 Y74 E75 L76K68-N72 WeakPolarHBondContact CE-OD1 3.31Å; K68-N72 WeakPolarHBondContact O-CB 3.26Å; K68-N72 PolarHBondContact O-N 2.92Å; K68-N72 PolarHBondContact O-OD1 2.84Å; F69-N72 PolarHBondContact O-N 3.26Å; N72-Y74 VanDerWaalsContact C-N 3.34Å; N72-Y74 PolarHBondContact O-N 3.32Å; N72-E75 PolarHBondContact O-N 3.44Å; N72-L76 WeakPolarHBondContact O-CB 3.48Å; N72-L76 VanDerWaalsContact O-CG 3.26Å; N72-L76 WeakPolarHBondContact O-CG 3.4Å; N72-L76 PolarHBondContact O-N 2.83Å
73L96.7Very high96.1Very high89 Ų8980.1 Ų80.147%0.46638%0.383SS..Hα-helixtrans-63.5-39.6175-72179000112.6F69 L71 K77F69-L73 HydrophobicContact CD1-CD1 3.96Å; F69-L73 HydrophobicContact CE1-CD1 3.36Å; F69-L73 HydrophobicContact CE1-CG 4.36Å; F69-L73 HydrophobicContact CE2-CD1 4.23Å; F69-L73 HydrophobicContact CZ-CD1 3.53Å; F69-L73 HydrophobicContact CZ-CG 4.3Å; F69-L73 WeakPolarHBondContact O-CG 3.45Å; F69-L73 PolarHBondContact O-N 3.12Å; F69-L73 VanDerWaalsContact O-N 3.09Å; L71-L73 VanDerWaalsContact C-N 3.29Å; L71-L73 PolarHBondContact O-N 2.95Å; L73-K77 VanDerWaalsContact O-CB 3.26Å; L73-K77 WeakPolarHBondContact O-CB 3.23Å; L73-K77 PolarHBondContact O-N 3.24Å
74Y96.3Very high96.1Very high41 Ų4183 Ų8316%0.16140%0.403CS..Hα-helixtrans-62.9-47.1176.9177.1-90.3000111.5R70 L71 N72 K77 E78 R80 I82 T86 M90R70-Y74 WeakPolarHBondContact O-CB 3.49Å; R70-Y74 PolarHBondContact O-N 3.33Å; L71-Y74 WeakPolarHBondContact O-CB 3.29Å; L71-Y74 PolarHBondContact O-N 2.94Å; L71-Y74 VanDerWaalsContact O-N 3.07Å; N72-Y74 VanDerWaalsContact C-N 3.34Å; N72-Y74 PolarHBondContact O-N 3.32Å; Y74-K77 PolarHBondContact O-N 3.46Å; Y74-E78 HydrophobicContact CD2-CG 4.1Å; Y74-E78 HydrophobicContact CE1-CB 4.47Å; Y74-E78 HydrophobicContact CE1-CG 4.23Å; Y74-E78 HydrophobicContact CE2-CG 3.75Å; Y74-E78 HydrophobicContact CG-CG 4.49Å; Y74-E78 WeakPolarHBondContact O-CB 3.18Å; Y74-E78 WeakPolarHBondContact O-CG 3.33Å; Y74-E78 PolarHBondContact O-N 3.09Å; Y74-R80 VanDerWaalsContact OH-CZ 3.24Å; Y74-R80 PolarHBondContact OH-NH1 3.37Å; Y74-R80 PolarHBondContact OH-NH2 3Å; Y74-I82 HydrophobicContact CD1-CB 4.1Å; Y74-I82 HydrophobicContact CD1-CD1 4Å; Y74-I82 HydrophobicContact CD1-CG1 4Å; Y74-I82 HydrophobicContact CE1-CB 4.01Å; Y74-I82 HydrophobicContact CE1-CD1 4.19Å; Y74-I82 HydrophobicContact CE1-CG1 3.77Å; Y74-I82 HydrophobicContact CG-CD1 4.41Å; Y74-T86 HydrophobicContact CE2-CG2 4.31Å; Y74-M90 HydrophobicContact CD2-CE 4.18Å; Y74-M90 HydrophobicContact CG-CE 4.07Å
75E95.2Very high96Very high54 Ų5490.9 Ų90.925%0.25243%0.432SS..Hα-helixtrans-66.1-39.1-179.9-67.5-173.115400112.2L71 N72 G79L71-E75 HydrophobicContact CD1-CG 4.21Å; L71-E75 WeakPolarHBondContact O-CG 3.47Å; L71-E75 PolarHBondContact O-N 3.47Å; N72-E75 PolarHBondContact O-N 3.44Å; E75-G79 WeakPolarHBondContact O-CA 3.28Å; E75-G79 PolarHBondContact O-N 3.22Å
76L96.6Very high96Very high144 Ų14486.4 Ų86.475%0.75441%0.414SS*.Hα-helixtrans-64.7-38.6174.1-72.2171000112.3N72N72-L76 WeakPolarHBondContact O-CB 3.48Å; N72-L76 VanDerWaalsContact O-CG 3.26Å; N72-L76 WeakPolarHBondContact O-CG 3.4Å; N72-L76 PolarHBondContact O-N 2.83Å
77K96.6Very high96Very high179 Ų17981.1 Ų81.178%0.77840%0.395SS*.Hα-helixtrans-75.3-42.2-178.3-177.1176.4177.7-178.60112.8L73 Y74L73-K77 VanDerWaalsContact O-CB 3.26Å; L73-K77 WeakPolarHBondContact O-CB 3.23Å; L73-K77 PolarHBondContact O-N 3.24Å; Y74-K77 PolarHBondContact O-N 3.46Å
78E95.4Very high96Very high92 Ų9285.9 Ų85.943%0.4342%0.418SS..Hα-helixtrans-93.2-13.2-174.4-65.1-87.5137.200112.9Y74 R80Y74-E78 HydrophobicContact CD2-CG 4.1Å; Y74-E78 HydrophobicContact CE1-CB 4.47Å; Y74-E78 HydrophobicContact CE1-CG 4.23Å; Y74-E78 HydrophobicContact CE2-CG 3.75Å; Y74-E78 HydrophobicContact CG-CG 4.49Å; Y74-E78 WeakPolarHBondContact O-CB 3.18Å; Y74-E78 WeakPolarHBondContact O-CG 3.33Å; Y74-E78 PolarHBondContact O-N 3.09Å; E78-R80 HydrophobicContact CB-CG 3.92Å; E78-R80 PolarHBondContact O-N 3.09Å; E78-R80 IonicContact OE2-CZ 3.47Å; E78-R80 IonicContact OE2-NE 3.2Å; E78-R80 PolarHBondContact OE2-NE 3.37Å; E78-R80 IonicContact OE2-NH2 2.89Å; E78-R80 PolarHBondContact OE2-NH2 2.88Å
79G94.1Very high96Very high71 Ų7184.1 Ų84.173%0.73242%0.416SS*.SBendtrans64.321.5-178.700000114.1E75E75-G79 WeakPolarHBondContact O-CA 3.28Å; E75-G79 PolarHBondContact O-N 3.22Å
80R93.2Very high96Very high105 Ų10579.2 Ų79.240%0.39640%0.395SS..SBendtrans-145.1151.5-177.367.1-172.6173.4102-8.1111.8Y74 E78Y74-R80 VanDerWaalsContact OH-CZ 3.24Å; Y74-R80 PolarHBondContact OH-NH1 3.37Å; Y74-R80 PolarHBondContact OH-NH2 3Å; E78-R80 HydrophobicContact CB-CG 3.92Å; E78-R80 PolarHBondContact O-N 3.09Å; E78-R80 IonicContact OE2-CZ 3.47Å; E78-R80 IonicContact OE2-NE 3.2Å; E78-R80 PolarHBondContact OE2-NE 3.37Å; E78-R80 IonicContact OE2-NH2 2.89Å; E78-R80 PolarHBondContact OE2-NH2 2.88Å
81Q94.3Very high96Very high107 Ų10776.8 Ų76.850%0.539%0.389SS..PPolyproline II helixtrans-62.9144.2172.4-70.9-166.1900111.6D47D47-Q81 PolarHBondContact OD2-NE2 3.33Å
82I95.7Very high96Very high12 Ų1279.3 Ų79.36%0.06241%0.41CS..PPolyproline II helixtrans-67.3140.4179-158.9162.7000111.5L49 L71 Y74 T86 L87 M90L49-I82 HydrophobicContact CD2-CG2 3.74Å; L71-I82 HydrophobicContact CD1-CB 3.67Å; L71-I82 HydrophobicContact CD1-CD1 3.85Å; L71-I82 HydrophobicContact CD1-CG1 4.38Å; L71-I82 HydrophobicContact CD1-CG2 3.38Å; Y74-I82 HydrophobicContact CD1-CB 4.1Å; Y74-I82 HydrophobicContact CD1-CD1 4Å; Y74-I82 HydrophobicContact CD1-CG1 4Å; Y74-I82 HydrophobicContact CE1-CB 4.01Å; Y74-I82 HydrophobicContact CE1-CD1 4.19Å; Y74-I82 HydrophobicContact CE1-CG1 3.77Å; Y74-I82 HydrophobicContact CG-CD1 4.41Å; I82-T86 HydrophobicContact CD1-CG2 4.22Å; I82-T86 HydrophobicContact CG1-CG2 4.05Å; I82-L87 HydrophobicContact CD1-CB 4.07Å; I82-L87 HydrophobicContact CD1-CD1 4.09Å; I82-L87 HydrophobicContact CG1-CB 4.35Å; I82-L87 HydrophobicContact CG2-CB 4.34Å; I82-M90 HydrophobicContact CD1-CE 3.7Å; I82-M90 HydrophobicContact CD1-SD 4.37Å
83K95.9Very high96Very high132 Ų13280.7 Ų80.757%0.57442%0.417SS*.PPolyproline II helixtrans-80.1146.2170.8-65.8-177.5179.9-179.70109.8Y85 T86 L87K83-Y85 VanDerWaalsContact C-N 3.26Å; K83-Y85 PolarHBondContact O-N 2.91Å; K83-T86 WeakPolarHBondContact O-CB 3.36Å; K83-T86 PolarHBondContact O-N 3.13Å; K83-L87 PolarHBondContact O-N 3.44Å
84P96.3Very high96Very high87 Ų8776.9 Ų76.957%0.56540%0.397SS*.Hα-helixtrans-54.2-40.1-179.5-26.933.7000113.8L49 T86 L87 M88L49-P84 HydrophobicContact CD1-CB 3.97Å; L49-P84 HydrophobicContact CD1-CG 4.08Å; P84-T86 VanDerWaalsContact C-N 3.35Å; P84-T86 PolarHBondContact O-N 2.91Å; P84-L87 PolarHBondContact O-N 3.36Å; P84-M88 PolarHBondContact O-N 3.04Å
85Y96.7Very high95.9Very high174 Ų17479.6 Ų79.668%0.68241%0.414SS*.Hα-helixtrans-65.4-36.9177.6-162.9-91.8000112.6K83 M88 S89K83-Y85 VanDerWaalsContact C-N 3.26Å; K83-Y85 PolarHBondContact O-N 2.91Å; Y85-M88 HydrophobicContact CD2-CE 3.88Å; Y85-M88 HydrophobicContact CE1-CE 4.3Å; Y85-M88 HydrophobicContact CE2-CE 3.59Å; Y85-M88 HydrophobicContact CG-CE 4.36Å; Y85-M88 WeakPolarHBondContact O-CB 3.48Å; Y85-M88 PolarHBondContact O-N 3.32Å; Y85-S89 PolarHBondContact O-N 2.96Å; Y85-S89 PolarHBondContact O-OG 2.85Å
86T96.3Very high95.9Very high47 Ų4784.1 Ų84.129%0.28843%0.43SS..Hα-helixtrans-69.9-38.9176.4-510000111.3Y74 I82 K83 P84 M88 S89 M90Y74-T86 HydrophobicContact CE2-CG2 4.31Å; I82-T86 HydrophobicContact CD1-CG2 4.22Å; I82-T86 HydrophobicContact CG1-CG2 4.05Å; K83-T86 WeakPolarHBondContact O-CB 3.36Å; K83-T86 PolarHBondContact O-N 3.13Å; P84-T86 VanDerWaalsContact C-N 3.35Å; P84-T86 PolarHBondContact O-N 2.91Å; T86-M88 VanDerWaalsContact C-N 3.33Å; T86-S89 PolarHBondContact O-N 3.21Å; T86-M90 WeakPolarHBondContact O-CB 3.25Å; T86-M90 PolarHBondContact O-N 3.09Å
87L96.6Very high95.7Very high9 Ų982.4 Ų82.45%0.04742%0.418CS..Hα-helixtrans-61.3-43.2173.6-175.469000111M45 L49 L67 I82 K83 P84 S89 M90 V91M45-L87 HydrophobicContact CB-CD2 3.71Å; M45-L87 HydrophobicContact CG-CD2 4.01Å; L49-L87 HydrophobicContact CD1-CD2 4.25Å; L49-L87 HydrophobicContact CD2-CB 4.16Å; L49-L87 HydrophobicContact CD2-CD2 3.51Å; L49-L87 HydrophobicContact CD2-CG 4.43Å; L49-L87 HydrophobicContact CG-CD2 3.79Å; L67-L87 HydrophobicContact CD2-CD1 3.77Å; L67-L87 HydrophobicContact CD2-CG 4.49Å; I82-L87 HydrophobicContact CD1-CB 4.07Å; I82-L87 HydrophobicContact CD1-CD1 4.09Å; I82-L87 HydrophobicContact CG1-CB 4.35Å; I82-L87 HydrophobicContact CG2-CB 4.34Å; K83-L87 PolarHBondContact O-N 3.44Å; P84-L87 PolarHBondContact O-N 3.36Å; L87-S89 PolarHBondContact O-N 3.35Å; L87-M90 WeakPolarHBondContact O-CB 3.25Å; L87-M90 PolarHBondContact O-N 3.43Å; L87-V91 HydrophobicContact CG-CG2 4.44Å; L87-V91 VanDerWaalsContact O-CG2 3.25Å; L87-V91 WeakPolarHBondContact O-CG2 3.39Å; L87-V91 PolarHBondContact O-N 2.98Å
88M97.3Very high95.5Very high101 Ų10180.8 Ų80.850%0.49841%0.411SS..Hα-helixtrans-55.8-48.5175.4-178.3-168.573.100111.6P84 Y85 T86 M90 V91 A92P84-M88 PolarHBondContact O-N 3.04Å; Y85-M88 HydrophobicContact CD2-CE 3.88Å; Y85-M88 HydrophobicContact CE1-CE 4.3Å; Y85-M88 HydrophobicContact CE2-CE 3.59Å; Y85-M88 HydrophobicContact CG-CE 4.36Å; Y85-M88 WeakPolarHBondContact O-CB 3.48Å; Y85-M88 PolarHBondContact O-N 3.32Å; T86-M88 VanDerWaalsContact C-N 3.33Å; M88-M90 VanDerWaalsContact C-N 3.34Å; M88-M90 PolarHBondContact O-N 2.73Å; M88-V91 PolarHBondContact O-N 2.96Å; M88-A92 PolarHBondContact O-N 3.11Å
89S97.3Very high95.2Very high46 Ų4684 Ų8432%0.32242%0.419SS..Hα-helixtrans-64-38.2177.1-58.30000112.6Y85 T86 L87 A92 N93Y85-S89 PolarHBondContact O-N 2.96Å; Y85-S89 PolarHBondContact O-OG 2.85Å; T86-S89 PolarHBondContact O-N 3.21Å; L87-S89 PolarHBondContact O-N 3.35Å; S89-A92 PolarHBondContact O-N 2.81Å; S89-N93 WeakPolarHBondContact O-CB 3.32Å; S89-N93 VanDerWaalsContact O-CG 3.25Å; S89-N93 PolarHBondContact O-N 3.43Å; S89-N93 PolarHBondContact O-ND2 3.35Å
90M96.1Very high94.5Very high29 Ų2985.9 Ų85.914%0.14342%0.419CS..Hα-helixtrans-63.1-42.2176.2-175.2-174.9-71.300111.8R70 Y74 I82 T86 L87 M88 L94R70-M90 HydrophobicContact CB-SD 3.69Å; Y74-M90 HydrophobicContact CD2-CE 4.18Å; Y74-M90 HydrophobicContact CG-CE 4.07Å; I82-M90 HydrophobicContact CD1-CE 3.7Å; I82-M90 HydrophobicContact CD1-SD 4.37Å; T86-M90 WeakPolarHBondContact O-CB 3.25Å; T86-M90 PolarHBondContact O-N 3.09Å; L87-M90 WeakPolarHBondContact O-CB 3.25Å; L87-M90 PolarHBondContact O-N 3.43Å; M88-M90 VanDerWaalsContact C-N 3.34Å; M88-M90 PolarHBondContact O-N 2.73Å; M90-L94 WeakPolarHBondContact O-CB 3.08Å; M90-L94 PolarHBondContact O-N 3.45Å
91V97.1Very high93.5Very high24 Ų2489.3 Ų89.315%0.14544%0.439CS..Hα-helixtrans-63.6-48.4175.1175.40000110.3I51 L67 L87 M88 N93 L94 L95I51-V91 HydrophobicContact CD1-CG2 3.73Å; L67-V91 HydrophobicContact CD1-CB 4.24Å; L67-V91 HydrophobicContact CD1-CG2 3.52Å; L67-V91 HydrophobicContact CD2-CG2 3.71Å; L67-V91 HydrophobicContact CG-CG2 4.18Å; L87-V91 HydrophobicContact CG-CG2 4.44Å; L87-V91 VanDerWaalsContact O-CG2 3.25Å; L87-V91 WeakPolarHBondContact O-CG2 3.39Å; L87-V91 PolarHBondContact O-N 2.98Å; M88-V91 PolarHBondContact O-N 2.96Å; V91-N93 VanDerWaalsContact C-N 3.32Å; V91-N93 PolarHBondContact O-N 3.48Å; V91-L94 PolarHBondContact O-N 2.98Å; V91-L95 HydrophobicContact CG1-CD1 3.88Å; V91-L95 HydrophobicContact CG1-CG 4.33Å; V91-L95 WeakPolarHBondContact O-CG 3.45Å; V91-L95 PolarHBondContact O-N 3.25Å
92A96.8Very high91.6Very high53 Ų5395.4 Ų95.444%0.43846%0.457SS..Hα-helixtrans-57.5-45.9179.500000111.5M88 S89 L95 Y96M88-A92 PolarHBondContact O-N 3.11Å; S89-A92 PolarHBondContact O-N 2.81Å; A92-L95 PolarHBondContact O-N 3.35Å; A92-Y96 VanDerWaalsContact O-CB 3.28Å; A92-Y96 WeakPolarHBondContact O-CB 3.41Å; A92-Y96 PolarHBondContact O-N 3Å
93N96.3Very high89.8Confident99 Ų99101.3 Ų101.353%0.52949%0.488SS..Hα-helixtrans-62.7-47.1176.5-70.9-15.8000111.8S89 V91 L95 Y96 E97S89-N93 WeakPolarHBondContact O-CB 3.32Å; S89-N93 VanDerWaalsContact O-CG 3.25Å; S89-N93 PolarHBondContact O-N 3.43Å; S89-N93 PolarHBondContact O-ND2 3.35Å; V91-N93 VanDerWaalsContact C-N 3.32Å; V91-N93 PolarHBondContact O-N 3.48Å; N93-L95 VanDerWaalsContact C-N 3.3Å; N93-L95 PolarHBondContact O-N 2.86Å; N93-Y96 PolarHBondContact O-N 3.42Å; N93-E97 VanDerWaalsContact O-CG 3.28Å; N93-E97 WeakPolarHBondContact O-CG 3.5Å; N93-E97 PolarHBondContact O-N 3.06Å
94L95.4Very high87.9Confident8 Ų8100.7 Ų100.74%0.04250%0.498CS..Hα-helixtrans-57.5-42.8178.5179.372.7000112.1V63 R66 L67 R70 M90 V91V63-L94 HydrophobicContact CG1-CD2 4.25Å; R66-L94 HydrophobicContact CB-CD1 4.47Å; R66-L94 HydrophobicContact CB-CD2 4.2Å; L67-L94 HydrophobicContact CD1-CD2 3.65Å; R70-L94 VanDerWaalsContact CZ-CD1 3.43Å; M90-L94 WeakPolarHBondContact O-CB 3.08Å; M90-L94 PolarHBondContact O-N 3.45Å; V91-L94 PolarHBondContact O-N 2.98Å
95L95.6Very high85.9Confident98 Ų98105.2 Ų105.251%0.51351%0.511SS..Hα-helixtrans-72-38.9179.3-65.3176.3000111.4V63 V91 A92 N93 K98V63-L95 HydrophobicContact CG2-CD2 4.34Å; V91-L95 HydrophobicContact CG1-CD1 3.88Å; V91-L95 HydrophobicContact CG1-CG 4.33Å; V91-L95 WeakPolarHBondContact O-CG 3.45Å; V91-L95 PolarHBondContact O-N 3.25Å; A92-L95 PolarHBondContact O-N 3.35Å; N93-L95 VanDerWaalsContact C-N 3.3Å; N93-L95 PolarHBondContact O-N 2.86Å; L95-K98 PolarHBondContact O-N 3Å
96Y94.6Very high83.9Confident149 Ų149100.3 Ų100.358%0.58451%0.513SS*.Hα-helixtrans-72-27.8-179-159-98.1000113.3A92 N93 K98 R99A92-Y96 VanDerWaalsContact O-CB 3.28Å; A92-Y96 WeakPolarHBondContact O-CB 3.41Å; A92-Y96 PolarHBondContact O-N 3Å; N93-Y96 PolarHBondContact O-N 3.42Å; Y96-K98 PolarHBondContact O-N 2.8Å; Y96-K98 VanDerWaalsContact O-N 3.08Å; Y96-R99 VanDerWaalsContact CZ-CD 3.44Å; Y96-R99 WeakPolarHBondContact O-CB 3.15Å; Y96-R99 PolarHBondContact O-N 2.83Å; Y96-R99 WeakPolarHBondContact OH-CD 3.37Å
97E92.8Very high81.3Confident109 Ų109109.5 Ų109.551%0.50956%0.561SS.*THydrogen-bonded Turntrans-56.1-22.9171-78.6167.7-148.700113.2R70 N93R70-E97 IonicContact CZ-OE1 3.33Å; R70-E97 IonicContact CZ-OE2 3.62Å; R70-E97 IonicContact NH1-OE1 2.72Å; R70-E97 PolarHBondContact NH1-OE1 2.75Å; R70-E97 IonicContact NH1-OE2 3.67Å; R70-E97 VanDerWaalsContact NH2-CD 3.28Å; R70-E97 IonicContact NH2-OE1 3.03Å; R70-E97 PolarHBondContact NH2-OE1 3.2Å; R70-E97 IonicContact NH2-OE2 2.7Å; R70-E97 PolarHBondContact NH2-OE2 2.94Å; N93-E97 VanDerWaalsContact O-CG 3.28Å; N93-E97 WeakPolarHBondContact O-CG 3.5Å; N93-E97 PolarHBondContact O-N 3.06Å
98K90.9Very high80.6Confident144 Ų144114.6 Ų114.663%0.62659%0.586SS**THydrogen-bonded Turntrans-91.72.1177.1-62.5-56.1-172-179.30113.7L95 Y96 P100L95-K98 PolarHBondContact O-N 3Å; Y96-K98 PolarHBondContact O-N 2.8Å; Y96-K98 VanDerWaalsContact O-N 3.08Å; K98-P100 WeakPolarHBondContact O-CD 3.48Å
99R90.1Very high79.7Confident160 Ų160115.3 Ų115.360%0.60459%0.591SS**SBendtrans-66124.5170.8-173.1177.8178.7117.3-2.8108.6Y96 H101Y96-R99 VanDerWaalsContact CZ-CD 3.44Å; Y96-R99 WeakPolarHBondContact O-CB 3.15Å; Y96-R99 PolarHBondContact O-N 2.83Å; Y96-R99 WeakPolarHBondContact OH-CD 3.37Å; R99-H101 PolarHBondContact O-N 3.38Å
100P80.3Confident78.7Confident111 Ų111119.1 Ų119.172%0.72161%0.606SS**  trans-58127.7175-18.629.6000109.4K98 R102K98-P100 WeakPolarHBondContact O-CD 3.48Å; P100-R102 PolarHBondContact O-N 3.13Å
101H71.6Confident77.7Confident177 Ų177124.4 Ų124.482%0.81963%0.633SS**  trans-64.7115.1159.8-1036.4000106.8R99 L103R99-H101 PolarHBondContact O-N 3.38Å; H101-L103 PolarHBondContact O-N 2.88Å
102R54.1Low76.5Confident235 Ų235130.7 Ų130.789%0.88766%0.664SS**  trans-65.397.1154.7-78.4-171179.7-172.5-0.9104.8P100P100-R102 PolarHBondContact O-N 3.13Å
103L57.1Low75.1Confident136 Ų136135.9 Ų135.971%0.71268%0.679SS**  trans-52.9134.8157.3-69.6169.3000105.8H101 H105H101-L103 PolarHBondContact O-N 2.88Å; L103-H105 PolarHBondContact O-N 2.93Å
104P57.5Low73.6Confident119 Ų119138.5 Ų138.577%0.77369%0.69SS**  trans-54.7120.5170.222.8-29.5000106.5G106P104-G106 VanDerWaalsContact C-N 3.34Å; P104-G106 PolarHBondContact O-N 2.82Å
105H54.2Low72Confident181 Ų181148.5 Ų148.584%0.83874%0.739SS**  trans-58.8108.5163.4-73.2-70.9000104.6L103 D107L103-H105 PolarHBondContact O-N 2.93Å; H105-D107 PolarHBondContact O-N 2.68Å
106G54Low70Confident72 Ų72152.8 Ų152.874%0.74276%0.758SS**  trans-59.6128.1168.500000107.5P104P104-G106 VanDerWaalsContact C-N 3.34Å; P104-G106 PolarHBondContact O-N 2.82Å
107D42.6Very low67.7Low240 Ų240153.1 Ų153.1100%1.28377%0.774SS**  trans-55.50158.6-63.3-45.6000110.5H105H105-D107 PolarHBondContact O-N 2.68Å

Retrieved 107 of 107 residues in 303.5 ms (Link to these results)

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