A0A077ZL97_TRITR Loading...

Major sperm protein

AlphaFold DB , UniProt , Accession A0A077ZL97, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 216 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
1M29.2Very low38.5Very low222 Ų222122.1 Ų122.1100%1.09465%0.646SS**  0118.60-92.3172.9176.700107.2
2E22.3Very low40.8Very low185 Ų185112.3 Ų112.386%0.86459%0.594SS**  trans-87.5114.3176.9-153.7174.8-161.500107.3V4E2-V4 PolarHBondContact O-N 3.25Å
3F26.9Very low43.1Very low145 Ų145110.1 Ų110.164%0.63658%0.579SS**  trans-81.5100176.9-78.3-87.9000108.4S5 P77F3-S5 PolarHBondContact O-N 3.07Å; F3-P77 HydrophobicContact CE1-CG 4.49Å
4V26.8Very low45.1Very low132 Ų132102.7 Ų102.780%0.854%0.541SS*.  trans-70.6100168.7-177.90000107.5E2 G6E2-V4 PolarHBondContact O-N 3.25Å; V4-G6 VanDerWaalsContact C-N 3.28Å; V4-G6 PolarHBondContact O-N 2.97Å
5S32.8Very low46.8Very low78 Ų7898.3 Ų98.355%0.54551%0.514SS..  trans-73.387.4169.6-178.50000108.6F3 L97F3-S5 PolarHBondContact O-N 3.07Å; S5-L97 VanDerWaalsContact OG-CD2 3.3Å; S5-L97 WeakPolarHBondContact OG-CD2 3.43Å
6G32.9Very low48.5Very low45 Ų4593.6 Ų93.646%0.46449%0.491SS..  trans-79.6130.6162.400000108.4V4 R8V4-G6 VanDerWaalsContact C-N 3.28Å; V4-G6 PolarHBondContact O-N 2.97Å; G6-R8 PolarHBondContact O-N 3.36Å
7S39.5Very low49.7Very low122 Ų12293.5 Ų93.585%0.85350%0.495SS*.  trans-58.381.8172.654.90000110.9K9S7-K9 PolarHBondContact O-N 2.73Å
8R47.6Very low51Low139 Ų13994.4 Ų94.453%0.52550%0.5SS..  trans-75.5116.4173-83.8179164.6-157.9-19.8107.3G6 T10 E42G6-R8 PolarHBondContact O-N 3.36Å; R8-T10 VanDerWaalsContact C-N 3.34Å; R8-T10 PolarHBondContact O-N 2.96Å; R8-E42 IonicContact CZ-OE1 3.48Å; R8-E42 IonicContact CZ-OE2 3.91Å; R8-E42 IonicContact NH1-OE1 2.71Å; R8-E42 PolarHBondContact NH1-OE1 3.44Å; R8-E42 IonicContact NH1-OE2 2.65Å; R8-E42 PolarHBondContact NH1-OE2 2.82Å; R8-E42 IonicContact NH2-OE1 2.8Å; R8-E42 PolarHBondContact NH2-OE1 2.79Å
9K49.6Very low52Low200 Ų20090.6 Ų90.687%0.8748%0.481SS*.  trans-63.698.6167.3-75.2-178.8177.1-179.70107.2S7S7-K9 PolarHBondContact O-N 2.73Å
10T54.5Low53Low8 Ų886.2 Ų86.25%0.04946%0.457CS..  trans-68.1137.2169.862.40000107.8R8 D12 V75 D99 K100R8-T10 VanDerWaalsContact C-N 3.34Å; R8-T10 PolarHBondContact O-N 2.96Å; T10-D12 VanDerWaalsContact C-N 3.29Å; T10-V75 HydrophobicContact CG2-CB 4.47Å; T10-V75 HydrophobicContact CG2-CG2 3.41Å; T10-V75 VanDerWaalsContact CG2-CG2 3.41Å; T10-D99 HydrophobicContact CG2-CB 3.58Å; T10-K100 WeakPolarHBondContact O-CE 3.32Å; T10-K100 PolarHBondContact O-NZ 3.07Å; T10-K100 WeakPolarHBondContact OG1-CD 3.27Å; T10-K100 WeakPolarHBondContact OG1-CE 3.38Å; T10-K100 WeakPolarHBondContact OG1-CG 3.12Å
11T61Low53.9Low67 Ų6784.9 Ų84.941%0.41145%0.449SS..  trans-96.618.9-179.746.40000112N39 S40T11-N39 WeakPolarHBondContact O-CB 3.3Å; T11-N39 PolarHBondContact O-ND2 2.99Å; T11-N39 PolarHBondContact OG1-O 3.14Å; T11-S40 PolarHBondContact OG1-N 2.9Å
12D67Low55.7Low4 Ų474.3 Ų74.32%0.02140%0.397CS..  trans-66.2140.9178-173.733.6000111.7T10 Y37 I44 A73 K100 Y102T10-D12 VanDerWaalsContact C-N 3.29Å; D12-Y37 WeakPolarHBondContact CA-O 3.26Å; D12-I44 HydrophobicContact CB-CD1 4Å; D12-A73 WeakPolarHBondContact OD2-CB 3.32Å; D12-K100 PolarHBondContact O-NZ 3.49Å; D12-Y102 PolarHBondContact O-OH 2.74Å
13E69.7Low57.8Low84 Ų8467.8 Ų67.839%0.39337%0.371SS..EExtended strand (participates in β ladder)trans-125.2127.8176.3-65.1175178.900109.4Y37 N39 S120E13-Y37 PolarHBondContact N-O 3.25Å; E13-Y37 PolarHBondContact O-N 3.35Å; E13-N39 VanDerWaalsContact CD-ND2 3.32Å; E13-S120 WeakPolarHBondContact OE2-CB 3.5Å
14V72Confident59.6Low7 Ų767.7 Ų67.74%0.04237%0.367CS..EExtended strand (participates in β ladder)trans-105131.1177.1-175.60000108.5I34 L36 M71 Y102 L104V14-I34 HydrophobicContact CG1-CG2 3.6Å; V14-L36 HydrophobicContact CB-CD2 4.16Å; V14-L36 HydrophobicContact CG1-CD2 3.96Å; V14-L36 HydrophobicContact CG2-CD2 3.59Å; V14-M71 HydrophobicContact CG1-CB 4.47Å; V14-M71 HydrophobicContact CG2-CB 4.36Å; V14-M71 HydrophobicContact CG2-CG 4.1Å; V14-Y102 HydrophobicContact CB-CD1 4.08Å; V14-Y102 HydrophobicContact CB-CD2 4.43Å; V14-Y102 HydrophobicContact CB-CE1 4.43Å; V14-Y102 HydrophobicContact CB-CG 4.06Å; V14-Y102 HydrophobicContact CG2-CD1 3.79Å; V14-Y102 HydrophobicContact CG2-CD2 3.39Å; V14-Y102 HydrophobicContact CG2-CE1 3.94Å; V14-Y102 HydrophobicContact CG2-CE2 3.58Å; V14-Y102 HydrophobicContact CG2-CG 3.49Å; V14-Y102 VanDerWaalsContact CG2-CG 3.49Å; V14-L104 HydrophobicContact CG1-CD1 4.07Å
15Y70.4Confident61.2Low37 Ų3765.5 Ų65.515%0.14535%0.349CS..EExtended strand (participates in β ladder)trans-127.1132176.4-177.9-96.4000110.8I34 K35 G115 P116 P118Y15-I34 CarbonylContact O-C 3.56Å; Y15-I34 WeakPolarHBondContact O-CA 3.49Å; Y15-K35 HydrophobicContact CD1-CD 4.3Å; Y15-K35 PolarHBondContact N-O 2.82Å; Y15-K35 PolarHBondContact O-N 2.92Å; Y15-G115 VanDerWaalsContact OH-CA 3.25Å; Y15-G115 WeakPolarHBondContact OH-CA 3.21Å; Y15-G115 PolarHBondContact OH-O 3.46Å; Y15-P116 WeakPolarHBondContact CE2-O 3.16Å; Y15-P116 VanDerWaalsContact CZ-O 3.31Å; Y15-P116 PolarHBondContact OH-O 3.17Å; Y15-P116 VanDerWaalsContact OH-O 3.13Å; Y15-P118 HydrophobicContact CD2-CB 4.4Å; Y15-P118 HydrophobicContact CD2-CG 4.2Å; Y15-P118 HydrophobicContact CG-CG 3.98Å
16P73.1Confident62.4Low22 Ų2267.3 Ų67.314%0.14335%0.352CS..SBendcis-66.8155.9-2.628.3-34.2000112.6T19 I20 L104P16-T19 WeakPolarHBondContact CB-O 3.01Å; P16-T19 WeakPolarHBondContact CG-O 3.18Å; P16-I20 HydrophobicContact CG-CG1 4.21Å; P16-L104 WeakPolarHBondContact O-CD2 2.96Å
17V70.4Confident63.7Low92 Ų9271 Ų7156%0.55836%0.361SS*.SBendtrans-74.4-39-171.3178.40000112.3L104V17-L104 VanDerWaalsContact O-CD2 3.29Å; V17-L104 WeakPolarHBondContact O-CD2 3.45Å
18D72Confident64.7Low111 Ų11168.9 Ų68.959%0.59434%0.339SS*.SBendtrans-124.2-32.8-170.7-60.3-48.5000113.5L104 E105D18-L104 CarbonylContact O-C 3.55Å; D18-L104 WeakPolarHBondContact O-CA 2.77Å; D18-E105 PolarHBondContact O-N 2.91Å
19T71.1Confident65.3Low22 Ų2263.9 Ų63.914%0.13532%0.324CS..EExtended strand (participates in β ladder)trans-137.8122.5-170.7-54.80000111.8P16 H21 E105 K107P16-T19 WeakPolarHBondContact CB-O 3.01Å; P16-T19 WeakPolarHBondContact CG-O 3.18Å; T19-H21 WeakPolarHBondContact CG2-NE2 3.29Å; T19-H21 PolarHBondContact O-CD2 3.31Å; T19-E105 CarbonylContact C-O 3.59Å; T19-E105 VanDerWaalsContact CA-O 3.27Å; T19-E105 WeakPolarHBondContact CA-O 3.25Å; T19-E105 HydrophobicContact CG2-CB 4.44Å; T19-K107 HydrophobicContact CG2-CB 3.91Å; T19-K107 HydrophobicContact CG2-CD 3.68Å; T19-K107 HydrophobicContact CG2-CG 3.6Å
20I72.2Confident65.9Low1 Ų155.1 Ų55.11%0.00529%0.286CS..EExtended strand (participates in β ladder)trans-87.9121.9170.3-61.3161.3000108.3P16 F22 A32 I34 C69 L104 E105 K107 I129P16-I20 HydrophobicContact CG-CG1 4.21Å; I20-F22 HydrophobicContact CG2-CD2 4.29Å; I20-F22 HydrophobicContact CG2-CE2 4.02Å; I20-A32 HydrophobicContact CG2-CB 3.24Å; I20-I34 HydrophobicContact CD1-CD1 3.58Å; I20-I34 HydrophobicContact CD1-CG1 3.97Å; I20-I34 HydrophobicContact CG1-CD1 4.23Å; I20-I34 HydrophobicContact CG1-CG1 4.07Å; I20-C69 HydrophobicContact CD1-CB 4.03Å; I20-L104 HydrophobicContact CD1-CB 3.63Å; I20-L104 HydrophobicContact CD1-CD1 3.62Å; I20-L104 HydrophobicContact CD1-CG 4.21Å; I20-L104 HydrophobicContact CG1-CB 3.94Å; I20-L104 HydrophobicContact CG1-CD1 3.95Å; I20-L104 HydrophobicContact CG1-CG 4.38Å; I20-E105 PolarHBondContact N-O 2.78Å; I20-K107 PolarHBondContact O-N 2.9Å; I20-I129 HydrophobicContact CD1-CD1 4.39Å
21H71.2Confident66.3Low59 Ų5957.7 Ų57.727%0.27330%0.299SS..EExtended strand (participates in β ladder)trans-98.7120.8175.6-64.3-97.3000109.6T19 A32 K107 D109T19-H21 WeakPolarHBondContact CG2-NE2 3.29Å; T19-H21 PolarHBondContact O-CD2 3.31Å; H21-A32 WeakPolarHBondContact O-CB 3.4Å; H21-K107 WeakPolarHBondContact CA-O 3.29Å; H21-D109 IonicContact CE1-OD2 2.64Å; H21-D109 PolarHBondContact CE1-OD2 3.39Å; H21-D109 VanDerWaalsContact CE1-OD2 3.29Å; H21-D109 IonicContact CG-OD2 2.65Å; H21-D109 IonicContact ND1-OD2 3.78Å; H21-D109 PolarHBondContact ND1-OD2 3.07Å
22F67.4Low66.5Low1 Ų154.8 Ų54.80%0.00428%0.282CS..EExtended strand (participates in β ladder)trans-86121.9170.9-79.5-98.3000109.4I20 Q30 A32 I56 V106 K107 L108 D109 I129 A131I20-F22 HydrophobicContact CG2-CD2 4.29Å; I20-F22 HydrophobicContact CG2-CE2 4.02Å; F22-Q30 HydrophobicContact CB-CB 4Å; F22-Q30 HydrophobicContact CD1-CB 4.13Å; F22-A32 HydrophobicContact CD1-CB 3.84Å; F22-A32 HydrophobicContact CD2-CB 3.92Å; F22-A32 HydrophobicContact CE1-CB 3.93Å; F22-A32 HydrophobicContact CE2-CB 3.99Å; F22-A32 HydrophobicContact CG-CB 3.85Å; F22-A32 HydrophobicContact CZ-CB 4.02Å; F22-I56 HydrophobicContact CZ-CD1 4.49Å; F22-V106 HydrophobicContact CD2-CG1 3.64Å; F22-V106 HydrophobicContact CE2-CB 4.44Å; F22-V106 HydrophobicContact CE2-CG1 3.42Å; F22-V106 VanDerWaalsContact CE2-CG1 3.42Å; F22-V106 HydrophobicContact CE2-CG2 4.3Å; F22-K107 PolarHBondContact N-O 2.76Å; F22-L108 HydrophobicContact CB-CD2 4.05Å; F22-L108 HydrophobicContact CG-CD2 4.35Å; F22-D109 PolarHBondContact O-N 2.75Å; F22-D109 VanDerWaalsContact O-O 3.09Å; F22-I129 HydrophobicContact CE1-CB 4.07Å; F22-I129 HydrophobicContact CE1-CG2 3.79Å; F22-I129 HydrophobicContact CZ-CB 4.03Å; F22-I129 HydrophobicContact CZ-CG2 3.63Å; F22-A131 HydrophobicContact CD1-CB 3.92Å; F22-A131 HydrophobicContact CE1-CB 3.74Å
23S66Low66.5Low47 Ų4757.5 Ų57.533%0.32930%0.301SS..EExtended strand (participates in β ladder)trans-101.7133.7176.4-620000109.9Q30 L31S23-Q30 CarbonylContact O-C 3.51Å; S23-Q30 VanDerWaalsContact O-CA 3.26Å; S23-Q30 WeakPolarHBondContact O-CA 3.47Å; S23-L31 PolarHBondContact N-O 3.48Å; S23-L31 PolarHBondContact O-N 3.44Å
24R63.5Low66.6Low144 Ų14453.5 Ų53.554%0.54328%0.283SS..EExtended strand (participates in β ladder)trans-64.6134.2174.7-175.1-179.6-72.8-155.2-4110.8
25I61.2Low66.7Low85 Ų8554.6 Ų54.644%0.43629%0.287SS..EExtended strand (participates in β ladder)trans-106.4-50.7175-44.5125.1000110.2T29 L31I25-T29 HydrophobicContact CD1-CG2 3.65Å; I25-T29 PolarHBondContact N-O 3.18Å; I25-L31 HydrophobicContact CD1-CB 3.45Å; I25-L31 VanDerWaalsContact CD1-CB 3.45Å; I25-L31 HydrophobicContact CD1-CD1 3.31Å; I25-L31 HydrophobicContact CD1-CG 3.16Å; I25-L31 HydrophobicContact CG1-CB 3.83Å; I25-L31 HydrophobicContact CG1-CD1 3.72Å; I25-L31 HydrophobicContact CG1-CG 3.93Å
26I58.8Low66.7Low117 Ų11753 Ų5360%0.628%0.281SS*.EExtended strand (participates in β ladder)trans-147125.9-178.9-62.5173.6000105.8I28 T29I26-I28 VanDerWaalsContact C-N 3.25Å; I26-I28 CarbonylContact O-C 3.54Å; I26-I28 PolarHBondContact O-N 3.23Å; I26-T29 PolarHBondContact O-N 2.83Å
27D59.4Low66.5Low122 Ų12252.3 Ų52.365%0.65228%0.276SS*.THydrogen-bonded Turntrans22-72.8177.1-65.2-23.2000116.9
28I61.4Low66.4Low78 Ų7850 Ų5040%0.426%0.26SS..THydrogen-bonded Turntrans-95.1-17.9-175.256.7166.8000116.2I26 N132 T133I26-I28 VanDerWaalsContact C-N 3.25Å; I26-I28 CarbonylContact O-C 3.54Å; I26-I28 PolarHBondContact O-N 3.23Å; I28-N132 CarbonylContact O-C 3.58Å; I28-N132 WeakPolarHBondContact O-CA 3.46Å; I28-T133 WeakPolarHBondContact CA-OG1 3.31Å; I28-T133 WeakPolarHBondContact CB-O 3.41Å; I28-T133 WeakPolarHBondContact CB-OG1 3.26Å; I28-T133 VanDerWaalsContact CG2-O 3.29Å; I28-T133 WeakPolarHBondContact CG2-O 3.43Å; I28-T133 WeakPolarHBondContact O-CB 3.46Å; I28-T133 PolarHBondContact O-N 2.86Å; I28-T133 PolarHBondContact O-OG1 2.95Å
29T59.2Low66.2Low33 Ų3347.3 Ų47.320%0.20225%0.246CC..EExtended strand (participates in β ladder)trans-102.5130.8-174.6-53.20000111.2I25 I26 T130 A131 N132I25-T29 HydrophobicContact CD1-CG2 3.65Å; I25-T29 PolarHBondContact N-O 3.18Å; I26-T29 PolarHBondContact O-N 2.83Å; T29-T130 HydrophobicContact CG2-CG2 3.34Å; T29-A131 CarbonylContact C-O 3.54Å; T29-A131 WeakPolarHBondContact CA-O 3.35Å; T29-N132 WeakPolarHBondContact CG2-OD1 3.46Å; T29-N132 PolarHBondContact OG1-OD1 2.97Å
30Q61.5Low65.8Low16 Ų1647.8 Ų47.88%0.07525%0.25CC..EExtended strand (participates in β ladder)trans-118.6145.5171.6-49.7-176.423.500110.1F22 S23 T130 A131F22-Q30 HydrophobicContact CB-CB 4Å; F22-Q30 HydrophobicContact CD1-CB 4.13Å; S23-Q30 CarbonylContact O-C 3.51Å; S23-Q30 VanDerWaalsContact O-CA 3.26Å; S23-Q30 WeakPolarHBondContact O-CA 3.47Å; Q30-T130 CarbonylContact O-C 3.6Å; Q30-T130 WeakPolarHBondContact O-CA 3.28Å; Q30-A131 PolarHBondContact N-O 3.43Å; Q30-A131 PolarHBondContact O-N 2.73Å
31L63.4Low65.5Low62 Ų6254 Ų5433%0.32529%0.288SS..EExtended strand (participates in β ladder)trans-124.3137.4179.4-92.2170.6000108.9S23 I25 I129 T130S23-L31 PolarHBondContact N-O 3.48Å; S23-L31 PolarHBondContact O-N 3.44Å; I25-L31 HydrophobicContact CD1-CB 3.45Å; I25-L31 VanDerWaalsContact CD1-CB 3.45Å; I25-L31 HydrophobicContact CD1-CD1 3.31Å; I25-L31 HydrophobicContact CD1-CG 3.16Å; I25-L31 HydrophobicContact CG1-CB 3.83Å; I25-L31 HydrophobicContact CG1-CD1 3.72Å; I25-L31 HydrophobicContact CG1-CG 3.93Å; L31-I129 CarbonylContact C-O 3.58Å; L31-I129 WeakPolarHBondContact CA-O 3.34Å; L31-T130 HydrophobicContact CD2-CG2 4.49Å; L31-T130 VanDerWaalsContact CD2-OG1 3.31Å; L31-T130 WeakPolarHBondContact CD2-OG1 3.45Å
32A66.2Low65.2Low6 Ų653.7 Ų53.75%0.0529%0.287CS..EExtended strand (participates in β ladder)trans-122.6156.6163.500000110.1I20 H21 F22 S128 I129I20-A32 HydrophobicContact CG2-CB 3.24Å; H21-A32 WeakPolarHBondContact O-CB 3.4Å; F22-A32 HydrophobicContact CD1-CB 3.84Å; F22-A32 HydrophobicContact CD2-CB 3.92Å; F22-A32 HydrophobicContact CE1-CB 3.93Å; F22-A32 HydrophobicContact CE2-CB 3.99Å; F22-A32 HydrophobicContact CG-CB 3.85Å; F22-A32 HydrophobicContact CZ-CB 4.02Å; A32-S128 CarbonylContact O-C 3.5Å; A32-S128 WeakPolarHBondContact O-CA 3.38Å; A32-I129 PolarHBondContact N-O 2.89Å; A32-I129 PolarHBondContact O-N 3.39Å
33S66.1Low65.1Low61 Ų6157.7 Ų57.743%0.42730%0.302SS..EExtended strand (participates in β ladder)trans-126137.5174.3690000111.1I127S33-I127 CarbonylContact C-O 2.74Å; S33-I127 WeakPolarHBondContact CA-O 3.33Å
34I71.7Confident65.1Low0 Ų055.7 Ų55.70%029%0.287CS..EExtended strand (participates in β ladder)trans-114.1128170-58171.8000107V14 Y15 I20 L36 L48 M71 L104 S126 I127 I129V14-I34 HydrophobicContact CG1-CG2 3.6Å; Y15-I34 CarbonylContact O-C 3.56Å; Y15-I34 WeakPolarHBondContact O-CA 3.49Å; I20-I34 HydrophobicContact CD1-CD1 3.58Å; I20-I34 HydrophobicContact CD1-CG1 3.97Å; I20-I34 HydrophobicContact CG1-CD1 4.23Å; I20-I34 HydrophobicContact CG1-CG1 4.07Å; I34-L36 HydrophobicContact CG2-CD2 4.24Å; I34-L48 HydrophobicContact CD1-CD1 3.45Å; I34-L48 VanDerWaalsContact CD1-CD1 3.45Å; I34-L48 HydrophobicContact CD1-CD2 4.29Å; I34-M71 HydrophobicContact CD1-CE 4.23Å; I34-M71 HydrophobicContact CG2-CE 4.04Å; I34-L104 HydrophobicContact CD1-CD1 3.98Å; I34-S126 CarbonylContact O-C 3.58Å; I34-S126 WeakPolarHBondContact O-CA 3.02Å; I34-I127 HydrophobicContact CB-CB 4.45Å; I34-I127 PolarHBondContact N-O 2.64Å; I34-I127 PolarHBondContact O-N 3.28Å; I34-I129 HydrophobicContact CD1-CD1 3.7Å; I34-I129 HydrophobicContact CG1-CD1 4.24Å
35K73.5Confident65.3Low31 Ų3149 Ų4914%0.13526%0.263CS..EExtended strand (participates in β ladder)trans-101.7131.5172.4-60177.9-177.6164.40109.3Y15 Y37 E117 Y124 T125Y15-K35 HydrophobicContact CD1-CD 4.3Å; Y15-K35 PolarHBondContact N-O 2.82Å; Y15-K35 PolarHBondContact O-N 2.92Å; K35-Y37 HydrophobicContact CB-CD2 4.33Å; K35-Y37 HydrophobicContact CB-CE2 3.52Å; K35-Y37 HydrophobicContact CD-CE2 4.35Å; K35-Y37 WeakPolarHBondContact CD-OH 3.34Å; K35-E117 IonicContact NZ-OE1 3.72Å; K35-E117 PolarHBondContact NZ-OE1 2.64Å; K35-Y124 HydrophobicContact CB-CD2 3.92Å; K35-Y124 HydrophobicContact CB-CG 4.36Å; K35-Y124 HydrophobicContact CD-CD2 4.01Å; K35-Y124 HydrophobicContact CD-CE2 3.85Å; K35-Y124 HydrophobicContact CD-CG 4.47Å; K35-Y124 HydrophobicContact CG-CD2 3.76Å; K35-Y124 HydrophobicContact CG-CE2 3.85Å; K35-T125 CarbonylContact C-O 3.59Å; K35-T125 WeakPolarHBondContact CA-O 3.49Å
36L71.7Confident65.7Low4 Ų445.4 Ų45.42%0.02125%0.245CC..EExtended strand (participates in β ladder)trans-113.6123.2177-62.5176.3000109.6V14 I34 D46 M71 Y124 T125 I127V14-L36 HydrophobicContact CB-CD2 4.16Å; V14-L36 HydrophobicContact CG1-CD2 3.96Å; V14-L36 HydrophobicContact CG2-CD2 3.59Å; I34-L36 HydrophobicContact CG2-CD2 4.24Å; L36-D46 HydrophobicContact CD1-CB 3.74Å; L36-M71 HydrophobicContact CD1-CE 3.92Å; L36-M71 HydrophobicContact CD1-SD 4.19Å; L36-M71 HydrophobicContact CD2-CE 3.89Å; L36-M71 HydrophobicContact CD2-CG 3.94Å; L36-M71 HydrophobicContact CD2-SD 4.3Å; L36-M71 HydrophobicContact CG-CE 4.25Å; L36-Y124 CarbonylContact O-C 3.57Å; L36-Y124 WeakPolarHBondContact O-CA 3.46Å; L36-Y124 VanDerWaalsContact O-CB 3.31Å; L36-Y124 WeakPolarHBondContact O-CB 3.44Å; L36-T125 PolarHBondContact N-O 2.93Å; L36-T125 PolarHBondContact O-N 3.16Å; L36-I127 HydrophobicContact CD1-CD1 3.54Å; L36-I127 HydrophobicContact CD1-CG1 4.44Å; L36-I127 HydrophobicContact CG-CD1 4.32Å
37Y68.1Low66.2Low7 Ų741.2 Ų41.23%0.02722%0.222CC..EExtended strand (participates in β ladder)trans-112.4103.5-177.3-66.3-99.4000110D12 E13 K35 N39 P118 Y124D12-Y37 WeakPolarHBondContact CA-O 3.26Å; E13-Y37 PolarHBondContact N-O 3.25Å; E13-Y37 PolarHBondContact O-N 3.35Å; K35-Y37 HydrophobicContact CB-CD2 4.33Å; K35-Y37 HydrophobicContact CB-CE2 3.52Å; K35-Y37 HydrophobicContact CD-CE2 4.35Å; K35-Y37 WeakPolarHBondContact CD-OH 3.34Å; Y37-N39 PolarHBondContact O-N 2.77Å; Y37-N39 VanDerWaalsContact O-N 3.1Å; Y37-P118 HydrophobicContact CD2-CG 4.01Å; Y37-P118 HydrophobicContact CE1-CG 4.18Å; Y37-P118 HydrophobicContact CE2-CB 4.29Å; Y37-P118 HydrophobicContact CE2-CG 3.23Å; Y37-P118 VanDerWaalsContact OH-CG 3.3Å; Y37-P118 WeakPolarHBondContact OH-CG 3.31Å; Y37-Y124 AromaticContact CE1-CD1 3.83Å; Y37-Y124 HydrophobicContact CE1-CD1 3.83Å; Y37-Y124 HydrophobicContact CE1-CG 4.05Å; Y37-Y124 HydrophobicContact CE2-CG 4.5Å; Y37-Y124 AromaticContact CZ-CD1 3.93Å; Y37-Y124 AromaticContact CZ-CG 3.95Å
38N68.6Low66.6Low42 Ų4235.4 Ų35.423%0.22519%0.191CC..  trans-78.598172.2-174.85.9000110.1S40 E42 I44N38-S40 PolarHBondContact O-N 3.09Å; N38-S40 WeakPolarHBondContact OD1-CA 3.5Å; N38-S40 WeakPolarHBondContact OD1-CB 3.5Å; N38-S40 PolarHBondContact OD1-N 3.44Å; N38-S40 PolarHBondContact OD1-O 3.42Å; N38-E42 PolarHBondContact ND2-O 3.44Å; N38-I44 HydrophobicContact CB-CD1 4.42Å; N38-I44 WeakPolarHBondContact OD1-CD1 3.47Å
39N67.8Low67Low55 Ų5537.5 Ų37.529%0.29420%0.197SC..  trans-8915.5173.2-54.9-47.4000112.7T11 E13 Y37 S120 S122T11-N39 WeakPolarHBondContact O-CB 3.3Å; T11-N39 PolarHBondContact O-ND2 2.99Å; T11-N39 PolarHBondContact OG1-O 3.14Å; E13-N39 VanDerWaalsContact CD-ND2 3.32Å; Y37-N39 PolarHBondContact O-N 2.77Å; Y37-N39 VanDerWaalsContact O-N 3.1Å; N39-S120 PolarHBondContact OD1-OG 3Å; N39-S122 VanDerWaalsContact OD1-CB 3.32Å; N39-S122 WeakPolarHBondContact OD1-CB 3.17Å; N39-S122 PolarHBondContact OD1-OG 2.84Å
40S63.6Low67.2Low32 Ų3236.5 Ų36.522%0.22419%0.19CC..SBendtrans-102.5158.1176.4-170.90000110.7T11 N38 E42T11-S40 PolarHBondContact OG1-N 2.9Å; N38-S40 PolarHBondContact O-N 3.09Å; N38-S40 WeakPolarHBondContact OD1-CA 3.5Å; N38-S40 WeakPolarHBondContact OD1-CB 3.5Å; N38-S40 PolarHBondContact OD1-N 3.44Å; N38-S40 PolarHBondContact OD1-O 3.42Å; S40-E42 WeakPolarHBondContact OG-CB 3.26Å; S40-E42 PolarHBondContact OG-N 3.43Å; S40-E42 VanDerWaalsContact OG-N 3.09Å
41T65.6Low67.1Low132 Ų13239 Ų3981%0.8121%0.207SC*.SBendtrans-84-1.9165.655.90000112.3
42E65.2Low66.5Low52 Ų5238.5 Ų38.524%0.24321%0.209CC..SBendtrans-95.5151.4-179.2-52.9-167.9131.700110.8R8 N38 S40 I44 V75R8-E42 IonicContact CZ-OE1 3.48Å; R8-E42 IonicContact CZ-OE2 3.91Å; R8-E42 IonicContact NH1-OE1 2.71Å; R8-E42 PolarHBondContact NH1-OE1 3.44Å; R8-E42 IonicContact NH1-OE2 2.65Å; R8-E42 PolarHBondContact NH1-OE2 2.82Å; R8-E42 IonicContact NH2-OE1 2.8Å; R8-E42 PolarHBondContact NH2-OE1 2.79Å; N38-E42 PolarHBondContact ND2-O 3.44Å; S40-E42 WeakPolarHBondContact OG-CB 3.26Å; S40-E42 PolarHBondContact OG-N 3.43Å; S40-E42 VanDerWaalsContact OG-N 3.09Å; E42-I44 PolarHBondContact O-N 3.16Å; E42-V75 HydrophobicContact CB-CG1 3.89Å; E42-V75 VanDerWaalsContact OE2-CG1 3.29Å; E42-V75 WeakPolarHBondContact OE2-CG1 3.47Å
43W64.5Low65.7Low85 Ų8540.6 Ų40.632%0.32222%0.222SC..  trans-70.7128.7173.4-61.582.4000108.4L76 V200 G201 E203W43-L76 HydrophobicContact CB-CB 4.03Å; W43-L76 HydrophobicContact CB-CD1 4.12Å; W43-L76 HydrophobicContact CB-CG 4.43Å; W43-L76 PolarHBondContact O-N 2.98Å; W43-V200 HydrophobicContact CE3-CG1 3.73Å; W43-V200 HydrophobicContact CH2-CG1 4.35Å; W43-V200 HydrophobicContact CZ3-CG1 3.26Å; W43-G201 VanDerWaalsContact CE3-O 3.24Å; W43-G201 WeakPolarHBondContact CZ3-O 3.33Å; W43-E203 HydrophobicContact CH2-CB 3.86Å; W43-E203 HydrophobicContact CH2-CG 4.45Å; W43-E203 HydrophobicContact CZ2-CB 3.85Å; W43-E203 HydrophobicContact CZ2-CG 3.98Å
44I67Low64.4Low5 Ų540.7 Ų40.73%0.02623%0.226CC..EExtended strand (participates in β ladder)trans-111.8135.1174.1-55.9-175.3000106.6D12 N38 E42 D46 A73 H74 V75D12-I44 HydrophobicContact CB-CD1 4Å; N38-I44 HydrophobicContact CB-CD1 4.42Å; N38-I44 WeakPolarHBondContact OD1-CD1 3.47Å; E42-I44 PolarHBondContact O-N 3.16Å; I44-D46 VanDerWaalsContact CG2-OD1 3.29Å; I44-D46 WeakPolarHBondContact CG2-OD1 3.06Å; I44-A73 HydrophobicContact CG2-CB 4.04Å; I44-H74 WeakPolarHBondContact CA-O 3.1Å; I44-V75 HydrophobicContact CG1-CG2 4.1Å
45A67.8Low62.9Low3 Ų343.4 Ų43.43%0.02524%0.239CC..EExtended strand (participates in β ladder)trans-103.8132166.800000107.4H74 L76 W89A45-H74 PolarHBondContact N-O 3.16Å; A45-H74 PolarHBondContact O-N 3.21Å; A45-L76 HydrophobicContact CB-CD1 4.19Å; A45-L76 HydrophobicContact CB-CD2 3.81Å; A45-L76 HydrophobicContact CB-CG 3.94Å; A45-W89 HydrophobicContact CB-CZ2 4.23Å; A45-W89 WeakPolarHBondContact O-CZ2 3.15Å
46D67.9Low61.5Low10 Ų1042.8 Ų42.85%0.05324%0.237CC..EExtended strand (participates in β ladder)trans-112.9155.5-178.9-57.1-52.1000110.4L36 I44 M71 V72 A73L36-D46 HydrophobicContact CD1-CB 3.74Å; I44-D46 VanDerWaalsContact CG2-OD1 3.29Å; I44-D46 WeakPolarHBondContact CG2-OD1 3.06Å; D46-M71 HydrophobicContact CB-SD 4.22Å; D46-V72 CarbonylContact C-O 3.57Å; D46-V72 WeakPolarHBondContact CA-O 3.35Å; D46-A73 VanDerWaalsContact OD1-CB 3.27Å; D46-A73 WeakPolarHBondContact OD1-CB 3.41Å
47K69.6Low60.2Low29 Ų2944.9 Ų44.913%0.12625%0.246CC..EExtended strand (participates in β ladder)trans-149.6123.9173.9-172.7179.7-174.5160.50110.7V72 W89 M93 E196K47-V72 HydrophobicContact CB-CB 4.46Å; K47-V72 PolarHBondContact N-O 3.29Å; K47-V72 PolarHBondContact O-N 3.3Å; K47-W89 HydrophobicContact CB-CH2 4.34Å; K47-W89 HydrophobicContact CB-CZ2 3.95Å; K47-M93 HydrophobicContact CD-CE 3.31Å; K47-E196 IonicContact NZ-OE1 3.29Å; K47-E196 PolarHBondContact NZ-OE1 2.9Å
48L69Low59.1Low0 Ų047.3 Ų47.30%026%0.259CS..EExtended strand (participates in β ladder)trans-86120.6173.4-169.475.2000110.4I34 C69 M71 I129 V195I34-L48 HydrophobicContact CD1-CD1 3.45Å; I34-L48 VanDerWaalsContact CD1-CD1 3.45Å; I34-L48 HydrophobicContact CD1-CD2 4.29Å; L48-C69 WeakPolarHBondContact CD1-SG 3.47Å; L48-C69 WeakPolarHBondContact CG-SG 3.05Å; L48-M71 HydrophobicContact CB-CE 4.11Å; L48-M71 HydrophobicContact CB-SD 4.32Å; L48-M71 HydrophobicContact CD1-CE 3.43Å; L48-M71 VanDerWaalsContact CD1-CE 3.43Å; L48-M71 HydrophobicContact CD1-SD 4.22Å; L48-M71 HydrophobicContact CG-CE 4.37Å; L48-I129 HydrophobicContact CD2-CD1 3.64Å; L48-I129 HydrophobicContact CD2-CG1 4.01Å; L48-V195 HydrophobicContact CB-CB 4.36Å; L48-V195 HydrophobicContact CB-CG1 4.24Å; L48-V195 HydrophobicContact CD2-CB 4.35Å; L48-V195 HydrophobicContact CD2-CG1 4.36Å; L48-V195 HydrophobicContact CD2-CG2 4.46Å
49K68.9Low57.9Low122 Ų12248.8 Ų48.853%0.5327%0.27SS..EExtended strand (participates in β ladder)trans-115.1123.5176.3-175.4177.9179.91780111C69 T70K49-C69 CarbonylContact O-C 3.44Å; K49-C69 WeakPolarHBondContact O-CA 2.98Å; K49-C69 PolarHBondContact O-SG 2.84Å; K49-T70 PolarHBondContact N-O 2.92Å; K49-T70 PolarHBondContact O-N 2.67Å
50M63.9Low56.7Low13 Ų1351.1 Ų51.16%0.06428%0.283CS..EExtended strand (participates in β ladder)trans-90.8140.9172.1-56.8-169.577.300110.4I56M50-I56 HydrophobicContact CE-CD1 3.46Å; M50-I56 VanDerWaalsContact CE-CD1 3.46Å; M50-I56 HydrophobicContact CE-CG1 3.84Å; M50-I56 HydrophobicContact SD-CD1 4.46Å
51T58.6Low55.8Low68 Ų6858.8 Ų58.842%0.41732%0.315SS..SBendtrans-71.1-35.5179.344.80000112.6P53 R68T51-P53 WeakPolarHBondContact O-CD 3.14Å; T51-R68 WeakPolarHBondContact CB-O 3.45Å; T51-R68 HydrophobicContact CG2-CB 3.79Å; T51-R68 WeakPolarHBondContact CG2-O 3.18Å; T51-R68 PolarHBondContact N-O 3.31Å; T51-R68 PolarHBondContact OG1-N 3.34Å; T51-R68 PolarHBondContact OG1-O 3.08Å
52S52.4Low54.8Low52 Ų5260.5 Ų60.536%0.36432%0.32SS..  trans-11685.2168.6-62.80000106.7A54 E55S52-A54 PolarHBondContact O-N 3.48Å; S52-E55 WeakPolarHBondContact CB-O 3.35Å; S52-E55 PolarHBondContact O-N 3.17Å
53P49Very low53.7Low50 Ų5062.2 Ų62.233%0.32533%0.329SS..THydrogen-bonded Turntrans-54.7-52.1171.321-27.7000106.9T51 E55 G192T51-P53 WeakPolarHBondContact O-CD 3.14Å; P53-E55 VanDerWaalsContact C-N 3.32Å; P53-E55 PolarHBondContact O-N 3.09Å; P53-E55 VanDerWaalsContact O-N 3.07Å; P53-G192 VanDerWaalsContact C-C 3.4Å; P53-G192 CarbonylContact C-O 3.56Å; P53-G192 CarbonylContact O-C 3.5Å; P53-G192 WeakPolarHBondContact O-CA 3.17Å; P53-G192 PolarHBondContact O-N 2.88Å
54A39Very low53.1Low62 Ų6267.1 Ų67.151%0.51236%0.355SS..THydrogen-bonded Turntrans-68.6-10.1-173.100000117.8S52 A190 T191 G192S52-A54 PolarHBondContact O-N 3.48Å; A54-A190 CarbonylContact C-O 3.55Å; A54-T191 WeakPolarHBondContact O-CA 3.16Å; A54-G192 WeakPolarHBondContact CA-O 3.4Å; A54-G192 PolarHBondContact N-O 3.23Å
55E39Very low52.3Low58 Ų5872 Ų7227%0.27137%0.373SS..  trans-150.694.5-171.6-70.3-171.3166.900111.9S52 P53 K57 R65 A190S52-E55 WeakPolarHBondContact CB-O 3.35Å; S52-E55 PolarHBondContact O-N 3.17Å; P53-E55 VanDerWaalsContact C-N 3.32Å; P53-E55 PolarHBondContact O-N 3.09Å; P53-E55 VanDerWaalsContact O-N 3.07Å; E55-K57 VanDerWaalsContact C-N 3.32Å; E55-K57 HydrophobicContact CB-CD 4.34Å; E55-K57 HydrophobicContact CB-CG 4.19Å; E55-K57 HydrophobicContact CG-CD 4.4Å; E55-K57 PolarHBondContact O-N 3.14Å; E55-K57 VanDerWaalsContact OE1-CE 3.31Å; E55-K57 WeakPolarHBondContact OE1-CE 3.34Å; E55-K57 IonicContact OE1-NZ 3.44Å; E55-K57 PolarHBondContact OE1-NZ 2.98Å; E55-K57 VanDerWaalsContact OE2-CD 3.29Å; E55-K57 WeakPolarHBondContact OE2-CD 3.27Å; E55-K57 WeakPolarHBondContact OE2-CE 3.21Å; E55-K57 IonicContact OE2-NZ 3.91Å; E55-K57 PolarHBondContact OE2-NZ 2.78Å; E55-R65 IonicContact OE2-NH1 2.64Å; E55-R65 PolarHBondContact OE2-NH1 3.23Å; E55-A190 VanDerWaalsContact CA-O 3.27Å; E55-A190 WeakPolarHBondContact CA-O 3.44Å
56I45.5Very low51.8Low18 Ų1875.7 Ų75.79%0.09240%0.395CS..  trans-83.783.8153.6-55.4-178.1000107.1F22 M50 L58 E67 A131 A190F22-I56 HydrophobicContact CZ-CD1 4.49Å; M50-I56 HydrophobicContact CE-CD1 3.46Å; M50-I56 VanDerWaalsContact CE-CD1 3.46Å; M50-I56 HydrophobicContact CE-CG1 3.84Å; M50-I56 HydrophobicContact SD-CD1 4.46Å; I56-L58 PolarHBondContact O-N 3.48Å; I56-E67 VanDerWaalsContact CA-CD 3.4Å; I56-E67 WeakPolarHBondContact CA-OE1 3.32Å; I56-E67 VanDerWaalsContact CA-OE2 3.25Å; I56-E67 WeakPolarHBondContact CA-OE2 3.27Å; I56-E67 VanDerWaalsContact CB-OE2 3.27Å; I56-E67 WeakPolarHBondContact CB-OE2 3.45Å; I56-E67 VanDerWaalsContact CG1-OE2 3.24Å; I56-E67 WeakPolarHBondContact CG1-OE2 3.29Å; I56-E67 WeakPolarHBondContact CG2-OE2 2.83Å; I56-A131 HydrophobicContact CD1-CB 4.39Å; I56-A190 WeakPolarHBondContact O-CB 3.12Å
57K42.6Very low51.4Low48 Ų4875.9 Ų75.921%0.20940%0.396CS..  trans-86110.6-179.7-89.4176175.2163.20108.4E55 E67 V188E55-K57 VanDerWaalsContact C-N 3.32Å; E55-K57 HydrophobicContact CB-CD 4.34Å; E55-K57 HydrophobicContact CB-CG 4.19Å; E55-K57 HydrophobicContact CG-CD 4.4Å; E55-K57 PolarHBondContact O-N 3.14Å; E55-K57 VanDerWaalsContact OE1-CE 3.31Å; E55-K57 WeakPolarHBondContact OE1-CE 3.34Å; E55-K57 IonicContact OE1-NZ 3.44Å; E55-K57 PolarHBondContact OE1-NZ 2.98Å; E55-K57 VanDerWaalsContact OE2-CD 3.29Å; E55-K57 WeakPolarHBondContact OE2-CD 3.27Å; E55-K57 WeakPolarHBondContact OE2-CE 3.21Å; E55-K57 IonicContact OE2-NZ 3.91Å; E55-K57 PolarHBondContact OE2-NZ 2.78Å; K57-E67 PolarHBondContact N-OE1 3.34Å; K57-V188 VanDerWaalsContact CE-O 3.29Å; K57-V188 WeakPolarHBondContact CE-O 3.34Å
58L45.8Very low51.1Low58 Ų5881.7 Ų81.730%0.30442%0.417SS..  trans-45.8132.4163.6-61.4178.1000107.9I56 D60 L108 T133I56-L58 PolarHBondContact O-N 3.48Å; L58-D60 PolarHBondContact O-N 3.45Å; L58-L108 HydrophobicContact CD2-CD1 3.41Å; L58-L108 VanDerWaalsContact CD2-CD1 3.41Å; L58-L108 HydrophobicContact CD2-CD2 3.92Å; L58-L108 HydrophobicContact CD2-CG 4.22Å; L58-T133 HydrophobicContact CD1-CG2 3.7Å; L58-T133 HydrophobicContact CD2-CG2 4.2Å; L58-T133 HydrophobicContact CG-CG2 4.28Å
59P43.1Very low51Low72 Ų7281.7 Ų81.747%0.46842%0.417SS..  trans-58.2110.9175.824.9-32.7000107.5M63P59-M63 WeakPolarHBondContact CB-O 3.15Å
60D43.3Very low51Low105 Ų10577.4 Ų77.456%0.56140%0.401SS*.  trans-52.1138.8152.1-140.3-7.3000105.5L58 D62 M63L58-D60 PolarHBondContact O-N 3.45Å; D60-D62 PolarHBondContact O-N 3.46Å; D60-M63 PolarHBondContact O-N 2.99Å
61Q44.8Very low51.4Low192 Ų19276.8 Ų76.890%0.89740%0.398SS*.THydrogen-bonded Turntrans-51.8-4.5-160.7-89.3-170.3-20.700117.1
62D43.1Very low51.9Low169 Ų16973.9 Ų73.990%0.90438%0.38SS*.THydrogen-bonded Turntrans-122.712.8-179.1-74.3-41.3000115.4D60D60-D62 PolarHBondContact O-N 3.46Å
63M43.4Very low52.8Low87 Ų8771.4 Ų71.443%0.42936%0.363SS..  trans-132.2105178.2-160.3169.73300112.5P59 D60 R65P59-M63 WeakPolarHBondContact CB-O 3.15Å; D60-M63 PolarHBondContact O-N 2.99Å; M63-R65 HydrophobicContact CB-CG 4.44Å; M63-R65 HydrophobicContact CE-CG 3.92Å; M63-R65 HydrophobicContact CG-CG 3.71Å; M63-R65 PolarHBondContact O-N 3.37Å; M63-R65 HydrophobicContact SD-CG 3.86Å; M63-R65 PolarHBondContact SD-NE 3.48Å
64E51Low53.7Low188 Ų18869.6 Ų69.688%0.87935%0.35SS*.  trans-64.672.9164.8-67.8-176.3168.500109.9T66E64-T66 PolarHBondContact O-N 2.82Å
65R51.1Low55.1Low109 Ų10967 Ų6741%0.41133%0.328SS..  trans-76.592.7167.8-73.7-159.4171.9-171.62.6108E55 M63 E67E55-R65 IonicContact OE2-NH1 2.64Å; E55-R65 PolarHBondContact OE2-NH1 3.23Å; M63-R65 HydrophobicContact CB-CG 4.44Å; M63-R65 HydrophobicContact CE-CG 3.92Å; M63-R65 HydrophobicContact CG-CG 3.71Å; M63-R65 PolarHBondContact O-N 3.37Å; M63-R65 HydrophobicContact SD-CG 3.86Å; M63-R65 PolarHBondContact SD-NE 3.48Å; R65-E67 PolarHBondContact O-N 2.87Å
66T56.5Low56.4Low79 Ų7964.8 Ų64.849%0.48532%0.318SS..  trans-71.196.6167-46.50000108.5E64 R68 E105E64-T66 PolarHBondContact O-N 2.82Å; T66-R68 HydrophobicContact CG2-CG 4.45Å; T66-E105 HydrophobicContact CG2-CB 4.38Å; T66-E105 HydrophobicContact CG2-CG 4.13Å
67E60.4Low57.4Low15 Ų1565.9 Ų65.97%0.0733%0.326CS..EExtended strand (participates in β ladder)trans-70.4137.9167.3-79.9170.1-149.400110.3I56 K57 R65 V106I56-E67 VanDerWaalsContact CA-CD 3.4Å; I56-E67 WeakPolarHBondContact CA-OE1 3.32Å; I56-E67 VanDerWaalsContact CA-OE2 3.25Å; I56-E67 WeakPolarHBondContact CA-OE2 3.27Å; I56-E67 VanDerWaalsContact CB-OE2 3.27Å; I56-E67 WeakPolarHBondContact CB-OE2 3.45Å; I56-E67 VanDerWaalsContact CG1-OE2 3.24Å; I56-E67 WeakPolarHBondContact CG1-OE2 3.29Å; I56-E67 WeakPolarHBondContact CG2-OE2 2.83Å; K57-E67 PolarHBondContact N-OE1 3.34Å; R65-E67 PolarHBondContact O-N 2.87Å; E67-V106 HydrophobicContact CB-CB 3.91Å; E67-V106 HydrophobicContact CB-CG1 4.46Å; E67-V106 HydrophobicContact CB-CG2 4.31Å; E67-V106 PolarHBondContact O-N 2.89Å
68R63.8Low58.4Low151 Ų15175.5 Ų75.557%0.5736%0.361SS*.EExtended strand (participates in β ladder)trans-118.2129.4-178.9-64.2-179.2-64.3174.7-0.8109.4T51 T66 L104T51-R68 WeakPolarHBondContact CB-O 3.45Å; T51-R68 HydrophobicContact CG2-CB 3.79Å; T51-R68 WeakPolarHBondContact CG2-O 3.18Å; T51-R68 PolarHBondContact N-O 3.31Å; T51-R68 PolarHBondContact OG1-N 3.34Å; T51-R68 PolarHBondContact OG1-O 3.08Å; T66-R68 HydrophobicContact CG2-CG 4.45Å; R68-L104 WeakPolarHBondContact CA-O 3.13Å
69C66.8Low59.4Low0 Ų076 Ų760%038%0.381CS..EExtended strand (participates in β ladder)trans-101.1154.7164.4-162.20000109.1I20 L48 K49 L104 V106I20-C69 HydrophobicContact CD1-CB 4.03Å; L48-C69 WeakPolarHBondContact CD1-SG 3.47Å; L48-C69 WeakPolarHBondContact CG-SG 3.05Å; K49-C69 CarbonylContact O-C 3.44Å; K49-C69 WeakPolarHBondContact O-CA 2.98Å; K49-C69 PolarHBondContact O-SG 2.84Å; C69-L104 HydrophobicContact CB-CB 4.19Å; C69-L104 PolarHBondContact N-O 3.01Å; C69-L104 PolarHBondContact O-N 3.07Å; C69-V106 HydrophobicContact CB-CG2 4.41Å
70T68.2Low60.2Low32 Ų3274.2 Ų74.220%0.19637%0.368CS..EExtended strand (participates in β ladder)trans-135.5110175.1-57.50000107.9K49 V72 K101 Y102K49-T70 PolarHBondContact N-O 2.92Å; K49-T70 PolarHBondContact O-N 2.67Å; T70-V72 HydrophobicContact CG2-CG2 4.19Å; T70-K101 HydrophobicContact CG2-CB 3.97Å; T70-K101 HydrophobicContact CG2-CD 4.39Å; T70-K101 HydrophobicContact CG2-CG 4.23Å; T70-Y102 WeakPolarHBondContact CA-O 2.87Å
71M71.6Confident60.9Low0 Ų076.3 Ų76.30%037%0.372CS..EExtended strand (participates in β ladder)trans-77131.6167.3-17361.974.900108.7V14 I34 L36 D46 L48 K101 Y102 I127V14-M71 HydrophobicContact CG1-CB 4.47Å; V14-M71 HydrophobicContact CG2-CB 4.36Å; V14-M71 HydrophobicContact CG2-CG 4.1Å; I34-M71 HydrophobicContact CD1-CE 4.23Å; I34-M71 HydrophobicContact CG2-CE 4.04Å; L36-M71 HydrophobicContact CD1-CE 3.92Å; L36-M71 HydrophobicContact CD1-SD 4.19Å; L36-M71 HydrophobicContact CD2-CE 3.89Å; L36-M71 HydrophobicContact CD2-CG 3.94Å; L36-M71 HydrophobicContact CD2-SD 4.3Å; L36-M71 HydrophobicContact CG-CE 4.25Å; D46-M71 HydrophobicContact CB-SD 4.22Å; L48-M71 HydrophobicContact CB-CE 4.11Å; L48-M71 HydrophobicContact CB-SD 4.32Å; L48-M71 HydrophobicContact CD1-CE 3.43Å; L48-M71 VanDerWaalsContact CD1-CE 3.43Å; L48-M71 HydrophobicContact CD1-SD 4.22Å; L48-M71 HydrophobicContact CG-CE 4.37Å; M71-K101 CarbonylContact O-C 3.48Å; M71-K101 WeakPolarHBondContact O-CA 3.34Å; M71-Y102 HydrophobicContact CB-CD2 4.29Å; M71-Y102 PolarHBondContact N-O 3.31Å; M71-Y102 PolarHBondContact O-N 3.48Å; M71-I127 HydrophobicContact CE-CD1 3.61Å
72V70.4Confident61.2Low7 Ų769.5 Ų69.54%0.04235%0.349CS..EExtended strand (participates in β ladder)trans-117.2121.1177.8-172.90000107.4D46 K47 T70 W89 I98D46-V72 CarbonylContact C-O 3.57Å; D46-V72 WeakPolarHBondContact CA-O 3.35Å; K47-V72 HydrophobicContact CB-CB 4.46Å; K47-V72 PolarHBondContact N-O 3.29Å; K47-V72 PolarHBondContact O-N 3.3Å; T70-V72 HydrophobicContact CG2-CG2 4.19Å; V72-W89 HydrophobicContact CB-CH2 4.28Å; V72-W89 HydrophobicContact CG1-CH2 3.69Å; V72-W89 HydrophobicContact CG1-CZ3 4.16Å; V72-I98 HydrophobicContact CG1-CB 4.25Å; V72-I98 HydrophobicContact CG1-CD1 3.93Å; V72-I98 HydrophobicContact CG1-CG1 3.87Å; V72-I98 HydrophobicContact CG1-CG2 3.45Å; V72-I98 VanDerWaalsContact CG1-CG2 3.45Å
73A69.5Low61.7Low0 Ų067.5 Ų67.50%034%0.343CS..EExtended strand (participates in β ladder)trans-115.1139.6177.500000109.6D12 I44 D46 K100 Y102D12-A73 WeakPolarHBondContact OD2-CB 3.32Å; I44-A73 HydrophobicContact CG2-CB 4.04Å; D46-A73 VanDerWaalsContact OD1-CB 3.27Å; D46-A73 WeakPolarHBondContact OD1-CB 3.41Å; A73-K100 PolarHBondContact N-O 3.02Å; A73-K100 PolarHBondContact O-N 3.47Å; A73-Y102 HydrophobicContact CB-CE2 4.42Å
74H68.4Low62.6Low12 Ų1267.1 Ų67.16%0.05634%0.343CS..EExtended strand (participates in β ladder)trans-142.8130.2179.6-166.175.1000111.7I44 A45 L76 Y88 W89 M92 L97 D99I44-H74 WeakPolarHBondContact CA-O 3.1Å; A45-H74 PolarHBondContact N-O 3.16Å; A45-H74 PolarHBondContact O-N 3.21Å; H74-L76 PolarHBondContact O-N 2.87Å; H74-Y88 AromaticContact CD2-CE1 3.76Å; H74-W89 HydrophobicContact CB-CH2 3.66Å; H74-W89 HydrophobicContact CB-CZ2 4.03Å; H74-W89 HydrophobicContact CB-CZ3 4.21Å; H74-M92 WeakPolarHBondContact NE2-CE 3.35Å; H74-L97 PolarHBondContact ND1-O 2.98Å; H74-D99 IonicContact CE1-OD1 3.48Å; H74-D99 PolarHBondContact CE1-OD1 2.86Å; H74-D99 IonicContact CE1-OD2 3.44Å; H74-D99 PolarHBondContact CE1-OD2 3.46Å; H74-D99 IonicContact CG-OD2 2.82Å; H74-D99 IonicContact ND1-OD1 3Å; H74-D99 IonicContact ND1-OD2 2.92Å; H74-D99 PolarHBondContact ND1-OD2 2.76Å; H74-D99 IonicContact NE2-OD2 3.48Å
75V68.1Low63Low8 Ų858.3 Ų58.35%0.04830%0.302CS..EExtended strand (participates in β ladder)trans-74.9124176.6168.20000110.6T10 E42 I44 D99T10-V75 HydrophobicContact CG2-CB 4.47Å; T10-V75 HydrophobicContact CG2-CG2 3.41Å; T10-V75 VanDerWaalsContact CG2-CG2 3.41Å; E42-V75 HydrophobicContact CB-CG1 3.89Å; E42-V75 VanDerWaalsContact OE2-CG1 3.29Å; E42-V75 WeakPolarHBondContact OE2-CG1 3.47Å; I44-V75 HydrophobicContact CG1-CG2 4.1Å; V75-D99 PolarHBondContact N-OD2 3.45Å
76L66.4Low63.5Low10 Ų1057.8 Ų57.85%0.05230%0.3CS..PPolyproline II helixtrans-73.6136.5173.3-63-179000110.7W43 A45 H74 V80 A85 Y88W43-L76 HydrophobicContact CB-CB 4.03Å; W43-L76 HydrophobicContact CB-CD1 4.12Å; W43-L76 HydrophobicContact CB-CG 4.43Å; W43-L76 PolarHBondContact O-N 2.98Å; A45-L76 HydrophobicContact CB-CD1 4.19Å; A45-L76 HydrophobicContact CB-CD2 3.81Å; A45-L76 HydrophobicContact CB-CG 3.94Å; H74-L76 PolarHBondContact O-N 2.87Å; L76-V80 HydrophobicContact CB-CB 4.41Å; L76-V80 HydrophobicContact CD1-CG1 4.37Å; L76-V80 HydrophobicContact CD2-CG1 4.38Å; L76-A85 HydrophobicContact CD1-CB 4.25Å; L76-Y88 HydrophobicContact CD2-CD1 3.26Å; L76-Y88 HydrophobicContact CD2-CE1 3.5Å; L76-Y88 HydrophobicContact CD2-CG 4Å
77P66.9Low64Low41 Ų4158.6 Ų58.627%0.26630%0.302SS..PPolyproline II helixtrans-57.9144.1172-22.730.5000110.6F3 G79 V80 Y88F3-P77 HydrophobicContact CE1-CG 4.49Å; P77-G79 PolarHBondContact O-N 3.44Å; P77-G79 VanDerWaalsContact O-N 3.16Å; P77-V80 HydrophobicContact CB-CG2 4.03Å; P77-V80 HydrophobicContact CG-CG2 4.16Å; P77-V80 WeakPolarHBondContact O-CB 3.46Å; P77-V80 WeakPolarHBondContact O-CG2 3.39Å; P77-V80 PolarHBondContact O-N 2.66Å; P77-V80 VanDerWaalsContact O-N 3.09Å; P77-Y88 WeakPolarHBondContact CD-OH 3.48Å; P77-Y88 HydrophobicContact CG-CE2 3.74Å; P77-Y88 WeakPolarHBondContact CG-OH 3.18Å
78R64.7Low64.2Low250 Ų25059.6 Ų59.694%0.94331%0.305SS*.THydrogen-bonded Turntrans-54.9124.1176.3-171176.9-179.8171.71110.1
79G64.9Low64.3Low70 Ų7053 Ų5372%0.72228%0.28SS*.THydrogen-bonded Turntrans100.1-9.2179.100000115.3P77 K81P77-G79 PolarHBondContact O-N 3.44Å; P77-G79 VanDerWaalsContact O-N 3.16Å; G79-K81 PolarHBondContact O-N 2.96Å
80V61.1Low64.4Low34 Ų3458 Ų5821%0.20630%0.302CS..  trans-71.2123.2169.5176.80000108.7L76 P77 D84 Y88L76-V80 HydrophobicContact CB-CB 4.41Å; L76-V80 HydrophobicContact CD1-CG1 4.37Å; L76-V80 HydrophobicContact CD2-CG1 4.38Å; P77-V80 HydrophobicContact CB-CG2 4.03Å; P77-V80 HydrophobicContact CG-CG2 4.16Å; P77-V80 WeakPolarHBondContact O-CB 3.46Å; P77-V80 WeakPolarHBondContact O-CG2 3.39Å; P77-V80 PolarHBondContact O-N 2.66Å; P77-V80 VanDerWaalsContact O-N 3.09Å; V80-D84 HydrophobicContact CG1-CB 4.21Å; V80-Y88 HydrophobicContact CG1-CG 4.48Å; V80-Y88 HydrophobicContact CG2-CD2 4.4Å
81K57.3Low64.3Low148 Ų14859.9 Ų59.964%0.64332%0.316SS*.  trans-85.2156.3178-66.9-177.4178.7-179.70110.3G79 V83 D84 A85G79-K81 PolarHBondContact O-N 2.96Å; K81-V83 PolarHBondContact O-N 3.19Å; K81-V83 VanDerWaalsContact O-N 3.16Å; K81-D84 PolarHBondContact O-N 3.1Å; K81-A85 PolarHBondContact O-N 3.17Å
82A51.9Low64Low50 Ų5060.6 Ų60.641%0.41332%0.32SS..G310 helixtrans-51.9-36.717500000113.7D84 A85 V200A82-D84 PolarHBondContact O-N 3.42Å; A82-A85 WeakPolarHBondContact O-CB 3.37Å; A82-A85 PolarHBondContact O-N 2.77Å; A82-A85 VanDerWaalsContact O-N 3.08Å; A82-V200 HydrophobicContact CB-CB 4.43Å; A82-V200 HydrophobicContact CB-CG1 3.86Å; A82-V200 HydrophobicContact CB-CG2 3.68Å
83V52.8Low63.6Low127 Ų12763.7 Ų63.777%0.7734%0.335SS*.G310 helixtrans-61.7-30.6177.9179.60000111.8K81K81-V83 PolarHBondContact O-N 3.19Å; K81-V83 VanDerWaalsContact O-N 3.16Å
84D62.9Low62.8Low79 Ų7970.4 Ų70.442%0.42237%0.369SS..G310 helixtrans-91.6-5179.7-52-45.2000112.2V80 K81 A82 Y86 D87 Y88V80-D84 HydrophobicContact CG1-CB 4.21Å; K81-D84 PolarHBondContact O-N 3.1Å; A82-D84 PolarHBondContact O-N 3.42Å; D84-Y86 VanDerWaalsContact C-N 3.3Å; D84-Y86 PolarHBondContact O-N 3.01Å; D84-D87 PolarHBondContact O-N 3.06Å; D84-Y88 WeakPolarHBondContact O-CB 3.45Å; D84-Y88 PolarHBondContact O-N 2.65Å
85A59.5Low62.3Low2 Ų273.4 Ų73.42%0.01739%0.389CS..Hα-helixtrans-64.7-33.8-173.300000112.5L76 K81 A82 W89L76-A85 HydrophobicContact CD1-CB 4.25Å; K81-A85 PolarHBondContact O-N 3.17Å; A82-A85 WeakPolarHBondContact O-CB 3.37Å; A82-A85 PolarHBondContact O-N 2.77Å; A82-A85 VanDerWaalsContact O-N 3.08Å; A85-W89 WeakPolarHBondContact O-CB 3.29Å; A85-W89 PolarHBondContact O-N 3.13Å
86Y62.4Low61.9Low98 Ų9881.9 Ų81.938%0.38443%0.425SS..Hα-helixtrans-68.4-47.9177-178.2-107.4000112.2D84 Y88 W89 K90 E196D84-Y86 VanDerWaalsContact C-N 3.3Å; D84-Y86 PolarHBondContact O-N 3.01Å; Y86-Y88 VanDerWaalsContact C-N 3.3Å; Y86-Y88 PolarHBondContact O-N 2.79Å; Y86-W89 WeakPolarHBondContact O-CB 3.5Å; Y86-W89 PolarHBondContact O-N 3.31Å; Y86-K90 HydrophobicContact CD1-CD 4.45Å; Y86-K90 HydrophobicContact CE1-CD 3.99Å; Y86-K90 PolarHBondContact O-N 2.65Å; Y86-K90 WeakPolarHBondContact OH-CE 3.17Å; Y86-K90 PolarHBondContact OH-NZ 3.25Å; Y86-K90 VanDerWaalsContact OH-NZ 3.13Å; Y86-E196 WeakPolarHBondContact CE2-OE2 3.29Å
87D65.8Low61.5Low97 Ų9784.2 Ų84.252%0.51944%0.437SS..Hα-helixtrans-67.8-34.7177-71.9-23.4000111.5D84 K90 S91D84-D87 PolarHBondContact O-N 3.06Å; D87-K90 PolarHBondContact O-N 2.67Å; D87-S91 WeakPolarHBondContact O-CB 3.31Å; D87-S91 PolarHBondContact O-N 2.81Å; D87-S91 PolarHBondContact O-OG 2.81Å
88Y65.8Low61.3Low35 Ų3584.6 Ų84.614%0.13744%0.436CS..Hα-helixtrans-61.3-47.2170.8-175-94.6000111.3H74 L76 P77 V80 D84 Y86 K90 S91 M92H74-Y88 AromaticContact CD2-CE1 3.76Å; L76-Y88 HydrophobicContact CD2-CD1 3.26Å; L76-Y88 HydrophobicContact CD2-CE1 3.5Å; L76-Y88 HydrophobicContact CD2-CG 4Å; P77-Y88 WeakPolarHBondContact CD-OH 3.48Å; P77-Y88 HydrophobicContact CG-CE2 3.74Å; P77-Y88 WeakPolarHBondContact CG-OH 3.18Å; V80-Y88 HydrophobicContact CG1-CG 4.48Å; V80-Y88 HydrophobicContact CG2-CD2 4.4Å; D84-Y88 WeakPolarHBondContact O-CB 3.45Å; D84-Y88 PolarHBondContact O-N 2.65Å; Y86-Y88 VanDerWaalsContact C-N 3.3Å; Y86-Y88 PolarHBondContact O-N 2.79Å; Y88-K90 PolarHBondContact O-N 2.92Å; Y88-S91 CarbonylContact O-C 3.48Å; Y88-S91 WeakPolarHBondContact O-CB 3.3Å; Y88-S91 PolarHBondContact O-N 2.72Å; Y88-S91 VanDerWaalsContact O-N 3.14Å; Y88-M92 HydrophobicContact CE1-CB 4.39Å; Y88-M92 HydrophobicContact CE1-CE 3.43Å; Y88-M92 VanDerWaalsContact CE1-CE 3.43Å; Y88-M92 HydrophobicContact CE2-CE 4.18Å; Y88-M92 WeakPolarHBondContact O-CB 3.3Å; Y88-M92 PolarHBondContact O-N 2.79Å; Y88-M92 WeakPolarHBondContact OH-CE 3.46Å
89W65.6Low61.1Low12 Ų1275 Ų755%0.04540%0.404CS..Hα-helixtrans-59.4-44.7176.8-103125.8000112.6A45 K47 V72 H74 A85 Y86 S91 M92 M93A45-W89 HydrophobicContact CB-CZ2 4.23Å; A45-W89 WeakPolarHBondContact O-CZ2 3.15Å; K47-W89 HydrophobicContact CB-CH2 4.34Å; K47-W89 HydrophobicContact CB-CZ2 3.95Å; V72-W89 HydrophobicContact CB-CH2 4.28Å; V72-W89 HydrophobicContact CG1-CH2 3.69Å; V72-W89 HydrophobicContact CG1-CZ3 4.16Å; H74-W89 HydrophobicContact CB-CH2 3.66Å; H74-W89 HydrophobicContact CB-CZ2 4.03Å; H74-W89 HydrophobicContact CB-CZ3 4.21Å; A85-W89 WeakPolarHBondContact O-CB 3.29Å; A85-W89 PolarHBondContact O-N 3.13Å; Y86-W89 WeakPolarHBondContact O-CB 3.5Å; Y86-W89 PolarHBondContact O-N 3.31Å; W89-S91 VanDerWaalsContact C-N 3.28Å; W89-S91 PolarHBondContact O-N 3.5Å; W89-M92 HydrophobicContact CE3-CB 4.47Å; W89-M92 PolarHBondContact O-N 2.82Å; W89-M93 HydrophobicContact CE3-CE 4.19Å; W89-M93 HydrophobicContact CE3-CG 4.36Å; W89-M93 HydrophobicContact CZ3-CE 4.18Å; W89-M93 WeakPolarHBondContact O-CB 2.73Å; W89-M93 VanDerWaalsContact O-CG 3.27Å; W89-M93 WeakPolarHBondContact O-CG 3.04Å; W89-M93 PolarHBondContact O-N 2.79Å
90K67.5Low61.2Low106 Ų10674.7 Ų74.746%0.46138%0.383SS..Hα-helixtrans-57.6-44.8174.2-79-176.9172.7172.80111.4Y86 D87 Y88 I94Y86-K90 HydrophobicContact CD1-CD 4.45Å; Y86-K90 HydrophobicContact CE1-CD 3.99Å; Y86-K90 PolarHBondContact O-N 2.65Å; Y86-K90 WeakPolarHBondContact OH-CE 3.17Å; Y86-K90 PolarHBondContact OH-NZ 3.25Å; Y86-K90 VanDerWaalsContact OH-NZ 3.13Å; D87-K90 PolarHBondContact O-N 2.67Å; Y88-K90 PolarHBondContact O-N 2.92Å; K90-I94 WeakPolarHBondContact O-CG1 3.27Å
91S66.8Low61.7Low71 Ų7179.4 Ų79.450%0.49740%0.4SS..Hα-helixtrans-66.9-38.4178.5-57.10000112.2D87 Y88 W89 I94D87-S91 WeakPolarHBondContact O-CB 3.31Å; D87-S91 PolarHBondContact O-N 2.81Å; D87-S91 PolarHBondContact O-OG 2.81Å; Y88-S91 CarbonylContact O-C 3.48Å; Y88-S91 WeakPolarHBondContact O-CB 3.3Å; Y88-S91 PolarHBondContact O-N 2.72Å; Y88-S91 VanDerWaalsContact O-N 3.14Å; W89-S91 VanDerWaalsContact C-N 3.28Å; W89-S91 PolarHBondContact O-N 3.5Å; S91-I94 WeakPolarHBondContact O-CB 3.24Å; S91-I94 PolarHBondContact O-N 2.89Å
92M65.9Low62.2Low15 Ų1574.2 Ų74.27%0.07438%0.377CS..Hα-helixtrans-71.2-37.1180-171.861.173.400112.7H74 Y88 W89 I94 T95 K96 L97H74-M92 WeakPolarHBondContact NE2-CE 3.35Å; Y88-M92 HydrophobicContact CE1-CB 4.39Å; Y88-M92 HydrophobicContact CE1-CE 3.43Å; Y88-M92 VanDerWaalsContact CE1-CE 3.43Å; Y88-M92 HydrophobicContact CE2-CE 4.18Å; Y88-M92 WeakPolarHBondContact O-CB 3.3Å; Y88-M92 PolarHBondContact O-N 2.79Å; Y88-M92 WeakPolarHBondContact OH-CE 3.46Å; W89-M92 HydrophobicContact CE3-CB 4.47Å; W89-M92 PolarHBondContact O-N 2.82Å; M92-I94 PolarHBondContact O-N 2.83Å; M92-I94 VanDerWaalsContact O-N 3.16Å; M92-T95 PolarHBondContact O-N 2.84Å; M92-T95 PolarHBondContact O-OG1 2.94Å; M92-T95 PolarHBondContact SD-OG1 3.08Å; M92-K96 PolarHBondContact O-N 3.42Å; M92-L97 VanDerWaalsContact CG-O 3.26Å; M92-L97 WeakPolarHBondContact CG-O 3.42Å; M92-L97 HydrophobicContact SD-CB 3.5Å; M92-L97 WeakPolarHBondContact SD-CB 3.25Å; M92-L97 HydrophobicContact SD-CD1 4.32Å; M92-L97 HydrophobicContact SD-CG 4.49Å; M92-L97 VanDerWaalsContact SD-O 3.35Å
93M60.7Low63.1Low73 Ų7376.1 Ų76.136%0.3639%0.385SS..Hα-helixtrans-58.2-29.9174.7-77.5-83.1-17500112.3K47 W89K47-M93 HydrophobicContact CD-CE 3.31Å; W89-M93 HydrophobicContact CE3-CE 4.19Å; W89-M93 HydrophobicContact CE3-CG 4.36Å; W89-M93 HydrophobicContact CZ3-CE 4.18Å; W89-M93 WeakPolarHBondContact O-CB 2.73Å; W89-M93 VanDerWaalsContact O-CG 3.27Å; W89-M93 WeakPolarHBondContact O-CG 3.04Å; W89-M93 PolarHBondContact O-N 2.79Å
94I54Low63.9Low141 Ų14170.1 Ų70.172%0.72335%0.349SS*.Hα-helixtrans-70.3-34.5175.8-60.3167.5000111K90 S91 M92 K96K90-I94 WeakPolarHBondContact O-CG1 3.27Å; S91-I94 WeakPolarHBondContact O-CB 3.24Å; S91-I94 PolarHBondContact O-N 2.89Å; M92-I94 PolarHBondContact O-N 2.83Å; M92-I94 VanDerWaalsContact O-N 3.16Å; I94-K96 VanDerWaalsContact C-N 3.35Å
95T57.6Low64.2Low75 Ų7570.7 Ų70.746%0.4635%0.349SS..Hα-helixtrans-83.6-8.1-176.463.40000113.6M92 L97M92-T95 PolarHBondContact O-N 2.84Å; M92-T95 PolarHBondContact O-OG1 2.94Å; M92-T95 PolarHBondContact SD-OG1 3.08Å; T95-L97 PolarHBondContact O-N 3.23Å
96K60.1Low64.6Low185 Ų18571.3 Ų71.380%0.80435%0.352SS*.THydrogen-bonded Turntrans54.713.4-174-60.5-178.9179.11770114M92 I94 I98M92-K96 PolarHBondContact O-N 3.42Å; I94-K96 VanDerWaalsContact C-N 3.35Å; K96-I98 PolarHBondContact O-N 3.48Å
97L56.7Low64.8Low59 Ų5971.1 Ų71.131%0.30935%0.353SS..  trans-79100.5174.4-69.3171.6000106.5S5 H74 M92 T95S5-L97 VanDerWaalsContact OG-CD2 3.3Å; S5-L97 WeakPolarHBondContact OG-CD2 3.43Å; H74-L97 PolarHBondContact ND1-O 2.98Å; M92-L97 VanDerWaalsContact CG-O 3.26Å; M92-L97 WeakPolarHBondContact CG-O 3.42Å; M92-L97 HydrophobicContact SD-CB 3.5Å; M92-L97 WeakPolarHBondContact SD-CB 3.25Å; M92-L97 HydrophobicContact SD-CD1 4.32Å; M92-L97 HydrophobicContact SD-CG 4.49Å; M92-L97 VanDerWaalsContact SD-O 3.35Å; T95-L97 PolarHBondContact O-N 3.23Å
98I62.5Low64.7Low49 Ų4968.8 Ų68.825%0.25134%0.341SS..  trans-122.2120.2175.6-72.6171.4000105.5V72 K96 K100 K101V72-I98 HydrophobicContact CG1-CB 4.25Å; V72-I98 HydrophobicContact CG1-CD1 3.93Å; V72-I98 HydrophobicContact CG1-CG1 3.87Å; V72-I98 HydrophobicContact CG1-CG2 3.45Å; V72-I98 VanDerWaalsContact CG1-CG2 3.45Å; K96-I98 PolarHBondContact O-N 3.48Å; I98-K100 VanDerWaalsContact CG2-O 3.26Å; I98-K100 WeakPolarHBondContact CG2-O 3.38Å; I98-K101 VanDerWaalsContact CD1-CE 3.41Å; I98-K101 HydrophobicContact CG2-CD 4.44Å; I98-K101 HydrophobicContact CG2-CG 3.69Å
99D60.9Low64.6Low49 Ų4969.5 Ų69.526%0.26235%0.347SS..SBendtrans-68.7-42.8-177.8-67.9-27.5000111.4T10 H74 V75T10-D99 HydrophobicContact CG2-CB 3.58Å; H74-D99 IonicContact CE1-OD1 3.48Å; H74-D99 PolarHBondContact CE1-OD1 2.86Å; H74-D99 IonicContact CE1-OD2 3.44Å; H74-D99 PolarHBondContact CE1-OD2 3.46Å; H74-D99 IonicContact CG-OD2 2.82Å; H74-D99 IonicContact ND1-OD1 3Å; H74-D99 IonicContact ND1-OD2 2.92Å; H74-D99 PolarHBondContact ND1-OD2 2.76Å; H74-D99 IonicContact NE2-OD2 3.48Å; V75-D99 PolarHBondContact N-OD2 3.45Å
100K68.1Low63.9Low64 Ų6474.7 Ų74.728%0.27838%0.38SS..EExtended strand (participates in β ladder)trans-146.8150.6176.9-73.2-170.3-175.3173.10114T10 D12 A73 I98 Y102T10-K100 WeakPolarHBondContact O-CE 3.32Å; T10-K100 PolarHBondContact O-NZ 3.07Å; T10-K100 WeakPolarHBondContact OG1-CD 3.27Å; T10-K100 WeakPolarHBondContact OG1-CE 3.38Å; T10-K100 WeakPolarHBondContact OG1-CG 3.12Å; D12-K100 PolarHBondContact O-NZ 3.49Å; A73-K100 PolarHBondContact N-O 3.02Å; A73-K100 PolarHBondContact O-N 3.47Å; I98-K100 VanDerWaalsContact CG2-O 3.26Å; I98-K100 WeakPolarHBondContact CG2-O 3.38Å; K100-Y102 HydrophobicContact CB-CD2 4.46Å; K100-Y102 HydrophobicContact CB-CE2 3.73Å; K100-Y102 HydrophobicContact CD-CE1 4.48Å; K100-Y102 HydrophobicContact CD-CE2 4.04Å; K100-Y102 WeakPolarHBondContact CD-OH 3.44Å; K100-Y102 PolarHBondContact NZ-OH 3.18Å; K100-Y102 VanDerWaalsContact NZ-OH 3.17Å
101K70.7Confident63.2Low132 Ų13276.3 Ų76.357%0.57439%0.394SS*.EExtended strand (participates in β ladder)trans-128129.7170.5-66.3-177.2-179.4173.90109.1T70 M71 I98T70-K101 HydrophobicContact CG2-CB 3.97Å; T70-K101 HydrophobicContact CG2-CD 4.39Å; T70-K101 HydrophobicContact CG2-CG 4.23Å; M71-K101 CarbonylContact O-C 3.48Å; M71-K101 WeakPolarHBondContact O-CA 3.34Å; I98-K101 VanDerWaalsContact CD1-CE 3.41Å; I98-K101 HydrophobicContact CG2-CD 4.44Å; I98-K101 HydrophobicContact CG2-CG 3.69Å
102Y68.7Low62.5Low39 Ų3975.6 Ų75.615%0.15340%0.397CS..EExtended strand (participates in β ladder)trans-113.3100.7174.8-56.1-96.4000108D12 V14 T70 M71 A73 K100 L104D12-Y102 PolarHBondContact O-OH 2.74Å; V14-Y102 HydrophobicContact CB-CD1 4.08Å; V14-Y102 HydrophobicContact CB-CD2 4.43Å; V14-Y102 HydrophobicContact CB-CE1 4.43Å; V14-Y102 HydrophobicContact CB-CG 4.06Å; V14-Y102 HydrophobicContact CG2-CD1 3.79Å; V14-Y102 HydrophobicContact CG2-CD2 3.39Å; V14-Y102 HydrophobicContact CG2-CE1 3.94Å; V14-Y102 HydrophobicContact CG2-CE2 3.58Å; V14-Y102 HydrophobicContact CG2-CG 3.49Å; V14-Y102 VanDerWaalsContact CG2-CG 3.49Å; T70-Y102 WeakPolarHBondContact CA-O 2.87Å; M71-Y102 HydrophobicContact CB-CD2 4.29Å; M71-Y102 PolarHBondContact N-O 3.31Å; M71-Y102 PolarHBondContact O-N 3.48Å; A73-Y102 HydrophobicContact CB-CE2 4.42Å; K100-Y102 HydrophobicContact CB-CD2 4.46Å; K100-Y102 HydrophobicContact CB-CE2 3.73Å; K100-Y102 HydrophobicContact CD-CE1 4.48Å; K100-Y102 HydrophobicContact CD-CE2 4.04Å; K100-Y102 WeakPolarHBondContact CD-OH 3.44Å; K100-Y102 PolarHBondContact NZ-OH 3.18Å; K100-Y102 VanDerWaalsContact NZ-OH 3.17Å; Y102-L104 PolarHBondContact O-N 3.35Å
103P70.3Confident61.7Low91 Ų9179.2 Ų79.259%0.59142%0.423SS*.EExtended strand (participates in β ladder)trans-68.4128171.829.7-31.5000108.7
104L69.4Low61.2Low1 Ų184 Ų841%0.00545%0.45CS..EExtended strand (participates in β ladder)trans-122.6123.3178.7-63.8171000108.2V14 P16 V17 D18 I20 I34 R68 C69 Y102V14-L104 HydrophobicContact CG1-CD1 4.07Å; P16-L104 WeakPolarHBondContact O-CD2 2.96Å; V17-L104 VanDerWaalsContact O-CD2 3.29Å; V17-L104 WeakPolarHBondContact O-CD2 3.45Å; D18-L104 CarbonylContact O-C 3.55Å; D18-L104 WeakPolarHBondContact O-CA 2.77Å; I20-L104 HydrophobicContact CD1-CB 3.63Å; I20-L104 HydrophobicContact CD1-CD1 3.62Å; I20-L104 HydrophobicContact CD1-CG 4.21Å; I20-L104 HydrophobicContact CG1-CB 3.94Å; I20-L104 HydrophobicContact CG1-CD1 3.95Å; I20-L104 HydrophobicContact CG1-CG 4.38Å; I34-L104 HydrophobicContact CD1-CD1 3.98Å; R68-L104 WeakPolarHBondContact CA-O 3.13Å; C69-L104 HydrophobicContact CB-CB 4.19Å; C69-L104 PolarHBondContact N-O 3.01Å; C69-L104 PolarHBondContact O-N 3.07Å; Y102-L104 PolarHBondContact O-N 3.35Å
105E70.1Confident61Low90 Ų9079 Ų7942%0.42143%0.433SS..EExtended strand (participates in β ladder)trans-74.6139170-64.5-172167.600109.6D18 T19 I20 T66D18-E105 PolarHBondContact O-N 2.91Å; T19-E105 CarbonylContact C-O 3.59Å; T19-E105 VanDerWaalsContact CA-O 3.27Å; T19-E105 WeakPolarHBondContact CA-O 3.25Å; T19-E105 HydrophobicContact CG2-CB 4.44Å; I20-E105 PolarHBondContact N-O 2.78Å; T66-E105 HydrophobicContact CG2-CB 4.38Å; T66-E105 HydrophobicContact CG2-CG 4.13Å
106V66.1Low60.6Low15 Ų1581.1 Ų81.19%0.09145%0.448CS..EExtended strand (participates in β ladder)trans-98.5122.8175171.90000108.6F22 E67 C69F22-V106 HydrophobicContact CD2-CG1 3.64Å; F22-V106 HydrophobicContact CE2-CB 4.44Å; F22-V106 HydrophobicContact CE2-CG1 3.42Å; F22-V106 VanDerWaalsContact CE2-CG1 3.42Å; F22-V106 HydrophobicContact CE2-CG2 4.3Å; E67-V106 HydrophobicContact CB-CB 3.91Å; E67-V106 HydrophobicContact CB-CG1 4.46Å; E67-V106 HydrophobicContact CB-CG2 4.31Å; E67-V106 PolarHBondContact O-N 2.89Å; C69-V106 HydrophobicContact CB-CG2 4.41Å
107K67.8Low60.2Low94 Ų9478.3 Ų78.341%0.40944%0.438SS..EExtended strand (participates in β ladder)trans-120.1137.9171.1-68.7-170.9-170168.50110.4T19 I20 H21 F22T19-K107 HydrophobicContact CG2-CB 3.91Å; T19-K107 HydrophobicContact CG2-CD 3.68Å; T19-K107 HydrophobicContact CG2-CG 3.6Å; I20-K107 PolarHBondContact O-N 2.9Å; H21-K107 WeakPolarHBondContact CA-O 3.29Å; F22-K107 PolarHBondContact N-O 2.76Å
108L64.6Low59.9Low49 Ų4977 Ų7726%0.25743%0.433SS..EExtended strand (participates in β ladder)trans-100.898.4178.3-62.6153.2000106.4F22 L58F22-L108 HydrophobicContact CB-CD2 4.05Å; F22-L108 HydrophobicContact CG-CD2 4.35Å; L58-L108 HydrophobicContact CD2-CD1 3.41Å; L58-L108 VanDerWaalsContact CD2-CD1 3.41Å; L58-L108 HydrophobicContact CD2-CD2 3.92Å; L58-L108 HydrophobicContact CD2-CG 4.22Å
109D61.7Low59.3Low50 Ų5081.6 Ų81.627%0.26746%0.463SS..EExtended strand (participates in β ladder)trans-101.3128.5-178.7-79.6-8.2000109.9H21 F22 D111H21-D109 IonicContact CE1-OD2 2.64Å; H21-D109 PolarHBondContact CE1-OD2 3.39Å; H21-D109 VanDerWaalsContact CE1-OD2 3.29Å; H21-D109 IonicContact CG-OD2 2.65Å; H21-D109 IonicContact ND1-OD2 3.78Å; H21-D109 PolarHBondContact ND1-OD2 3.07Å; F22-D109 PolarHBondContact O-N 2.75Å; F22-D109 VanDerWaalsContact O-O 3.09Å; D109-D111 PolarHBondContact O-N 2.82Å
110V52.1Low59.1Low121 Ų12180.6 Ų80.673%0.73346%0.46SS*.SBendtrans-69.5-27.6175.1178.90000110.8
111D52.7Low58.5Low140 Ų14083.8 Ų83.875%0.74949%0.485SS*.SBendtrans-121.3112.4176.6-73.2-36.6000109.3D109 C113D109-D111 PolarHBondContact O-N 2.82Å; D111-C113 PolarHBondContact O-N 3.35Å
112G51.2Low57.7Low55 Ų5578.8 Ų78.857%0.56747%0.467SS*.  trans-59.2128.9-175.100000112.9
113C49Very low57.1Low92 Ų9278.7 Ų78.762%0.62247%0.471SS*.  trans-94.3117.6174.7-122.20000110.4D111 G115D111-C113 PolarHBondContact O-N 3.35Å; C113-G115 PolarHBondContact O-N 3.41Å
114D50.4Low56.7Low173 Ų17376.5 Ų76.593%0.92545%0.452SS*.  trans-75.798.9164.3-96.1-29.9000108.8
115G50.9Low56.2Low36 Ų3677.1 Ų77.137%0.37146%0.456SS..PPolyproline II helixtrans-71.2161.6168.600000111.9Y15 C113 E117Y15-G115 VanDerWaalsContact OH-CA 3.25Å; Y15-G115 WeakPolarHBondContact OH-CA 3.21Å; Y15-G115 PolarHBondContact OH-O 3.46Å; C113-G115 PolarHBondContact O-N 3.41Å; G115-E117 PolarHBondContact O-N 3.42Å
116P48.3Very low55.8Low119 Ų11973.7 Ų73.777%0.77344%0.442SS*.PPolyproline II helixtrans-63.8119.6175.626.3-32.7000111Y15Y15-P116 WeakPolarHBondContact CE2-O 3.16Å; Y15-P116 VanDerWaalsContact CZ-O 3.31Å; Y15-P116 PolarHBondContact OH-O 3.17Å; Y15-P116 VanDerWaalsContact OH-O 3.13Å
117E52.7Low55.6Low126 Ų12673 Ų7359%0.58944%0.437SS*.PPolyproline II helixtrans-54.6147.9174.4-101.7-166.8146.300111.8K35 G115K35-E117 IonicContact NZ-OE1 3.72Å; K35-E117 PolarHBondContact NZ-OE1 2.64Å; G115-E117 PolarHBondContact O-N 3.42Å
118P49.8Very low55.1Low31 Ų3169.9 Ų69.920%0.20143%0.427CS..PPolyproline II helixtrans-65.9149.5179.327.5-30.9000110.6Y15 Y37 S120Y15-P118 HydrophobicContact CD2-CB 4.4Å; Y15-P118 HydrophobicContact CD2-CG 4.2Å; Y15-P118 HydrophobicContact CG-CG 3.98Å; Y37-P118 HydrophobicContact CD2-CG 4.01Å; Y37-P118 HydrophobicContact CE1-CG 4.18Å; Y37-P118 HydrophobicContact CE2-CB 4.29Å; Y37-P118 HydrophobicContact CE2-CG 3.23Å; Y37-P118 VanDerWaalsContact OH-CG 3.3Å; Y37-P118 WeakPolarHBondContact OH-CG 3.31Å; P118-S120 PolarHBondContact O-N 3.02Å
119V50.2Low55.1Low147 Ų14768 Ų6889%0.89142%0.418SS*.SBendtrans-71.85.2-176.1-170.90000112.3
120S56.1Low55.1Low27 Ų2767.9 Ų67.919%0.18942%0.419CS..  trans-83.8128.4-170.9-153.10000112.4E13 N39 P118 S122E13-S120 WeakPolarHBondContact OE2-CB 3.5Å; N39-S120 PolarHBondContact OD1-OG 3Å; P118-S120 PolarHBondContact O-N 3.02Å; S120-S122 VanDerWaalsContact C-N 3.32Å; S120-S122 PolarHBondContact OG-OG 3.13Å; S120-S122 VanDerWaalsContact OG-OG 3.08Å
121T55.4Low55.3Low132 Ų13262.7 Ų62.781%0.8139%0.388SS*.  trans-90.12.1177.2560000112.9C157T121-C157 PolarHBondContact O-SG 3.21Å; T121-C157 VanDerWaalsContact O-SG 3.41Å
122S55.2Low55.3Low27 Ų2759.8 Ų59.819%0.18937%0.373CS..SBendtrans-76.4162.1178.562.10000112.1N39 S120 C157N39-S122 VanDerWaalsContact OD1-CB 3.32Å; N39-S122 WeakPolarHBondContact OD1-CB 3.17Å; N39-S122 PolarHBondContact OD1-OG 2.84Å; S120-S122 VanDerWaalsContact C-N 3.32Å; S120-S122 PolarHBondContact OG-OG 3.13Å; S120-S122 VanDerWaalsContact OG-OG 3.08Å; S122-C157 PolarHBondContact O-SG 3.23Å
123S56.1Low55Low36 Ų3658.4 Ų58.425%0.25235%0.353SS..  trans-69.7142.9174.5-56.80000109.1R155 S156 C157S123-R155 WeakPolarHBondContact CB-O 3.29Å; S123-S156 VanDerWaalsContact OG-CA 3.3Å; S123-S156 WeakPolarHBondContact OG-CA 3.27Å; S123-C157 PolarHBondContact OG-N 2.86Å
124Y60.5Low54.9Low45 Ų4558 Ų5818%0.17635%0.352CS..EExtended strand (participates in β ladder)trans-120.1155.6179.268.6-90.6000112.3K35 L36 Y37 R155K35-Y124 HydrophobicContact CB-CD2 3.92Å; K35-Y124 HydrophobicContact CB-CG 4.36Å; K35-Y124 HydrophobicContact CD-CD2 4.01Å; K35-Y124 HydrophobicContact CD-CE2 3.85Å; K35-Y124 HydrophobicContact CD-CG 4.47Å; K35-Y124 HydrophobicContact CG-CD2 3.76Å; K35-Y124 HydrophobicContact CG-CE2 3.85Å; L36-Y124 CarbonylContact O-C 3.57Å; L36-Y124 WeakPolarHBondContact O-CA 3.46Å; L36-Y124 VanDerWaalsContact O-CB 3.31Å; L36-Y124 WeakPolarHBondContact O-CB 3.44Å; Y37-Y124 AromaticContact CE1-CD1 3.83Å; Y37-Y124 HydrophobicContact CE1-CD1 3.83Å; Y37-Y124 HydrophobicContact CE1-CG 4.05Å; Y37-Y124 HydrophobicContact CE2-CG 4.5Å; Y37-Y124 AromaticContact CZ-CD1 3.93Å; Y37-Y124 AromaticContact CZ-CG 3.95Å; Y124-R155 HydrophobicContact CE1-CB 4.35Å; Y124-R155 PolarHBondContact N-O 3.49Å; Y124-R155 PolarHBondContact O-N 2.64Å
125T59.8Low54.4Low14 Ų1454 Ų549%0.08634%0.338CS..EExtended strand (participates in β ladder)trans-98.6126163.9-63.50000108.8K35 L36 I127 T199K35-T125 CarbonylContact C-O 3.59Å; K35-T125 WeakPolarHBondContact CA-O 3.49Å; L36-T125 PolarHBondContact N-O 2.93Å; L36-T125 PolarHBondContact O-N 3.16Å; T125-I127 HydrophobicContact CG2-CG1 4.3Å; T125-T199 HydrophobicContact CG2-CG2 3.41Å; T125-T199 VanDerWaalsContact CG2-CG2 3.41Å; T125-T199 WeakPolarHBondContact CG2-OG1 3.47Å; T125-T199 WeakPolarHBondContact OG1-CG2 3.5Å
126S61.2Low53.8Low18 Ų1856.7 Ų56.713%0.12635%0.351CS..EExtended strand (participates in β ladder)trans-95124.9169.3-166.90000110.2I34 S152 T153I34-S126 CarbonylContact O-C 3.58Å; I34-S126 WeakPolarHBondContact O-CA 3.02Å; S126-S152 CarbonylContact O-C 3Å; S126-S152 VanDerWaalsContact O-CA 3.28Å; S126-S152 WeakPolarHBondContact O-CA 3.15Å; S126-T153 WeakPolarHBondContact CB-O 3.47Å; S126-T153 PolarHBondContact N-O 2.8Å; S126-T153 PolarHBondContact O-N 2.71Å
127I62.3Low53.3Low0 Ų059.3 Ų59.30%035%0.353CS..EExtended strand (participates in β ladder)trans-104.2118.3170.4-62.2170.8000107.2S33 I34 L36 M71 T125 I150S33-I127 CarbonylContact C-O 2.74Å; S33-I127 WeakPolarHBondContact CA-O 3.33Å; I34-I127 HydrophobicContact CB-CB 4.45Å; I34-I127 PolarHBondContact N-O 2.64Å; I34-I127 PolarHBondContact O-N 3.28Å; L36-I127 HydrophobicContact CD1-CD1 3.54Å; L36-I127 HydrophobicContact CD1-CG1 4.44Å; L36-I127 HydrophobicContact CG-CD1 4.32Å; M71-I127 HydrophobicContact CE-CD1 3.61Å; T125-I127 HydrophobicContact CG2-CG1 4.3Å; I127-I150 HydrophobicContact CG2-CG2 3.88Å
128S57.7Low52.5Low29 Ų2962.1 Ų62.120%0.20337%0.365CS..EExtended strand (participates in β ladder)trans-94.4129.8174.6-55.30000110.5A32 T151A32-S128 CarbonylContact O-C 3.5Å; A32-S128 WeakPolarHBondContact O-CA 3.38Å; S128-T151 PolarHBondContact N-O 2.94Å; S128-T151 VanDerWaalsContact N-O 3.16Å
129I64Low52.2Low10 Ų1065.3 Ų65.35%0.05139%0.386CS..EExtended strand (participates in β ladder)trans-111.3120.1177.7-51.4169.3000108.2I20 F22 L31 A32 I34 L48I20-I129 HydrophobicContact CD1-CD1 4.39Å; F22-I129 HydrophobicContact CE1-CB 4.07Å; F22-I129 HydrophobicContact CE1-CG2 3.79Å; F22-I129 HydrophobicContact CZ-CB 4.03Å; F22-I129 HydrophobicContact CZ-CG2 3.63Å; L31-I129 CarbonylContact C-O 3.58Å; L31-I129 WeakPolarHBondContact CA-O 3.34Å; A32-I129 PolarHBondContact N-O 2.89Å; A32-I129 PolarHBondContact O-N 3.39Å; I34-I129 HydrophobicContact CD1-CD1 3.7Å; I34-I129 HydrophobicContact CG1-CD1 4.24Å; L48-I129 HydrophobicContact CD2-CD1 3.64Å; L48-I129 HydrophobicContact CD2-CG1 4.01Å
130T61.2Low51.5Low48 Ų4867.1 Ų67.129%0.29439%0.385SS..EExtended strand (participates in β ladder)trans-102.2126.1178.5-48.30000109.8T29 Q30 L31T29-T130 HydrophobicContact CG2-CG2 3.34Å; Q30-T130 CarbonylContact O-C 3.6Å; Q30-T130 WeakPolarHBondContact O-CA 3.28Å; L31-T130 HydrophobicContact CD2-CG2 4.49Å; L31-T130 VanDerWaalsContact CD2-OG1 3.31Å; L31-T130 WeakPolarHBondContact CD2-OG1 3.45Å
131A55.8Low50.3Low11 Ų1171.9 Ų71.99%0.09142%0.418CS..EExtended strand (participates in β ladder)trans-114.8125.6172.300000109.6F22 T29 Q30 I56F22-A131 HydrophobicContact CD1-CB 3.92Å; F22-A131 HydrophobicContact CE1-CB 3.74Å; T29-A131 CarbonylContact C-O 3.54Å; T29-A131 WeakPolarHBondContact CA-O 3.35Å; Q30-A131 PolarHBondContact N-O 3.43Å; Q30-A131 PolarHBondContact O-N 2.73Å; I56-A131 HydrophobicContact CD1-CB 4.39Å
132N53.2Low49.1Very low79 Ų7971.1 Ų71.142%0.42241%0.413SS..EExtended strand (participates in β ladder)trans-101.1138174.5-68.5-18.5000109.9I28 T29I28-N132 CarbonylContact O-C 3.58Å; I28-N132 WeakPolarHBondContact O-CA 3.46Å; T29-N132 WeakPolarHBondContact CG2-OD1 3.46Å; T29-N132 PolarHBondContact OG1-OD1 2.97Å
133T45.8Very low47.9Very low26 Ų2676.9 Ų76.916%0.1645%0.448CS..  trans-104.4139.3172.365.80000108I28 L58I28-T133 WeakPolarHBondContact CA-OG1 3.31Å; I28-T133 WeakPolarHBondContact CB-O 3.41Å; I28-T133 WeakPolarHBondContact CB-OG1 3.26Å; I28-T133 VanDerWaalsContact CG2-O 3.29Å; I28-T133 WeakPolarHBondContact CG2-O 3.43Å; I28-T133 WeakPolarHBondContact O-CB 3.46Å; I28-T133 PolarHBondContact O-N 2.86Å; I28-T133 PolarHBondContact O-OG1 2.95Å; L58-T133 HydrophobicContact CD1-CG2 3.7Å; L58-T133 HydrophobicContact CD2-CG2 4.2Å; L58-T133 HydrophobicContact CG-CG2 4.28Å
134S45.9Very low46.7Very low84 Ų8480.3 Ų80.359%0.58747%0.472SS*.  trans-100124.3177.5-41.40000108
135S40.8Very low45.4Very low90 Ų9082.2 Ų82.263%0.62949%0.492SS*.  trans-75.9129.5167.660.80000109.4E137S135-E137 PolarHBondContact O-N 2.62Å
136S37.9Very low44.2Very low92 Ų9284.1 Ų84.164%0.64351%0.505SS*.  trans-70.588.8174159.20000110.6
137E38.5Very low42.7Very low174 Ų17489.5 Ų89.581%0.81353%0.529SS*.  trans-109116.5151.3-59.1-169.2120.200106.5S135S135-E137 PolarHBondContact O-N 2.62Å
138E35.5Very low41.4Very low184 Ų18490.8 Ų90.886%0.8654%0.538SS*.  trans-57.7157.8-177.2-93.9-106.2117.700113.3
139P43.9Very low40.2Very low99 Ų9992.4 Ų92.464%0.64355%0.546SS*.  -105.2142.2-125.736.7-34.5000115
140E34.4Very low38.8Very low185 Ų18592.2 Ų92.286%0.86455%0.545SS*.  trans-103.1117.7144.7-79.2-169.3114.500108.3T142E140-T142 PolarHBondContact O-N 2.92Å
141S31.5Very low37.4Very low126 Ų12692 Ų9288%0.88154%0.544SS*.  trans-49.697.1179.4420000112.4
142T30.7Very low36.3Very low116 Ų11691.8 Ų91.871%0.71254%0.542SS*.  trans-136.4115.2163.6-42.40000107.7E140 S144E140-T142 PolarHBondContact O-N 2.92Å; T142-S144 PolarHBondContact O-N 2.82Å
143T29.3Very low35.3Very low149 Ų14990 Ų9091%0.91453%0.534SS*.  trans-48.3103.7165.626.60000109.3
144S31Very low34.6Very low108 Ų10890.5 Ų90.576%0.75554%0.538SS*.  trans-102.7105.5173-170.10000108.4T142 S146T142-S144 PolarHBondContact O-N 2.82Å; S144-S146 PolarHBondContact O-N 3.16Å
145S33.1Very low33.9Very low84 Ų8494.1 Ų94.159%0.58754%0.539SS*.  trans-61.2113.5171.2165.70000109.2E147S145-E147 PolarHBondContact O-N 2.87Å; S145-E147 VanDerWaalsContact O-N 3.07Å
146S35Very low33.3Very low54 Ų5491.9 Ų91.938%0.37852%0.524SS..  trans-75.791.5169.9-410000108.5S144 S148S144-S146 PolarHBondContact O-N 3.16Å; S146-S148 PolarHBondContact O-N 2.92Å
147E29.9Very low33.1Very low132 Ų13291.7 Ų91.762%0.61752%0.521SS*.  trans-73111.4169.3-70-174.1106.800109.2S145 V149S145-E147 PolarHBondContact O-N 2.87Å; S145-E147 VanDerWaalsContact O-N 3.07Å; E147-V149 PolarHBondContact O-N 3.11Å
148S34.4Very low32.8Very low26 Ų2694.9 Ų94.918%0.18253%0.526CS..  trans-82.7109.1165.956.80000108.7S146 T193S146-S148 PolarHBondContact O-N 2.92Å; S148-T193 PolarHBondContact OG-OG1 3.07Å
149V32.7Very low32.4Very low64 Ų6493.9 Ų93.939%0.38852%0.521SS..EExtended strand (participates in β ladder)trans-89.7120.3174.2-177.90000108.9E147 T166E147-V149 PolarHBondContact O-N 3.11Å; V149-T166 HydrophobicContact CG1-CG2 4.29Å
150I34.8Very low31.5Very low5 Ų598.1 Ų98.13%0.02654%0.539CS..EExtended strand (participates in β ladder)trans-99.6117.2166.9-57116.4000107.7I127 S167 I169 V195I127-I150 HydrophobicContact CG2-CG2 3.88Å; I150-S167 PolarHBondContact O-N 2.82Å; I150-I169 HydrophobicContact CD1-CD1 3.61Å; I150-I169 HydrophobicContact CD1-CG1 4.37Å; I150-V195 HydrophobicContact CD1-CB 3.99Å; I150-V195 HydrophobicContact CD1-CG1 3.37Å; I150-V195 HydrophobicContact CD1-CG2 3.78Å; I150-V195 HydrophobicContact CG1-CB 4.49Å; I150-V195 HydrophobicContact CG1-CG1 3.69Å; I150-V195 HydrophobicContact CG1-CG2 4.09Å; I150-V195 HydrophobicContact CG2-CG1 4.5Å
151T32Very low31.1Very low43 Ų4390.5 Ų90.526%0.26451%0.509SS..EExtended strand (participates in β ladder)trans-99.4118.4170.2-53.50000107.9S128 T164S128-T151 PolarHBondContact N-O 2.94Å; S128-T151 VanDerWaalsContact N-O 3.16Å; T151-T164 HydrophobicContact CG2-CG2 3.81Å
152S32.6Very low31Very low7 Ų789.1 Ų89.15%0.04950%0.496CS..EExtended strand (participates in β ladder)trans-96.7118.9170.8-61.20000108.8S126 T165S126-S152 CarbonylContact O-C 3Å; S126-S152 VanDerWaalsContact O-CA 3.28Å; S126-S152 WeakPolarHBondContact O-CA 3.15Å; S152-T165 WeakPolarHBondContact CB-O 3.49Å; S152-T165 PolarHBondContact N-O 2.84Å; S152-T165 PolarHBondContact O-N 2.81Å; S152-T165 VanDerWaalsContact O-O 3.09Å
153T31.9Very low30.9Very low43 Ų4391.7 Ų91.726%0.26449%0.493SS..EExtended strand (participates in β ladder)trans-113.6117.5176.1-55.60000108.5S126 T162S126-T153 WeakPolarHBondContact CB-O 3.47Å; S126-T153 PolarHBondContact N-O 2.8Å; S126-T153 PolarHBondContact O-N 2.71Å; T153-T162 HydrophobicContact CG2-CG2 4.06Å
154S31.2Very low30.8Very low35 Ų3588.6 Ų88.625%0.24547%0.474CS..EExtended strand (participates in β ladder)trans-93.2131.6173.9620000109.6Y163S154-Y163 PolarHBondContact N-O 2.79Å; S154-Y163 VanDerWaalsContact N-O 3.11Å; S154-Y163 PolarHBondContact OG-O 3.29Å
155R30.2Very low30.7Very low160 Ų16087.5 Ų87.560%0.60446%0.464SS*.EExtended strand (participates in β ladder)trans-123116.1176.7-159.9174.3-171.8-176.20.7109S123 Y124S123-R155 WeakPolarHBondContact CB-O 3.29Å; Y124-R155 HydrophobicContact CE1-CB 4.35Å; Y124-R155 PolarHBondContact N-O 3.49Å; Y124-R155 PolarHBondContact O-N 2.64Å
156S28.6Very low30.6Very low44 Ų4487.8 Ų87.831%0.30846%0.462SS..  trans-93.2135.2177.3109.80000111.5S123 R158 E159S123-S156 VanDerWaalsContact OG-CA 3.3Å; S123-S156 WeakPolarHBondContact OG-CA 3.27Å; S156-R158 PolarHBondContact O-N 3.39Å; S156-R158 PolarHBondContact OG-N 3.29Å; S156-E159 PolarHBondContact OG-N 3.25Å; S156-E159 VanDerWaalsContact OG-N 3.17Å; S156-E159 PolarHBondContact OG-O 2.65Å
157C34Very low30.3Very low88 Ų8887 Ų8760%0.59546%0.456SS*.SBendtrans-79.6-5.6175.8-42.70000112.5T121 S122 S123T121-C157 PolarHBondContact O-SG 3.21Å; T121-C157 VanDerWaalsContact O-SG 3.41Å; S122-C157 PolarHBondContact O-SG 3.23Å; S123-C157 PolarHBondContact OG-N 2.86Å
158R31.5Very low30.2Very low240 Ų24085.6 Ų85.691%0.90646%0.461SS*.SBendtrans-129.2-1.3-160.5-123.6175.8172.3159.8-1.8116.6S156S156-R158 PolarHBondContact O-N 3.39Å; S156-R158 PolarHBondContact OG-N 3.29Å
159E27.5Very low30.1Very low164 Ų16486.5 Ų86.577%0.76646%0.463SS*.SBendtrans-156.5136.8169.8-147.7166.3175.300109.4S156 G161S156-E159 PolarHBondContact OG-N 3.25Å; S156-E159 VanDerWaalsContact OG-N 3.17Å; S156-E159 PolarHBondContact OG-O 2.65Å; E159-G161 VanDerWaalsContact C-N 3.32Å; E159-G161 PolarHBondContact O-N 3.49Å
160N25.3Very low29.9Very low188 Ų18891 Ų91100%1.00549%0.485SS*.SBendtrans-62.686.9-179.5-104.97.3000110.4
161G26.7Very low29.7Very low24 Ų2492.9 Ų92.925%0.24750%0.499CS..  trans-165.1119.3176.700000111.2E159E159-G161 VanDerWaalsContact C-N 3.32Å; E159-G161 PolarHBondContact O-N 3.49Å
162T28.3Very low29.3Very low98 Ų9897.7 Ų97.760%0.60153%0.528SS*.EExtended strand (participates in β ladder)trans-98.6119.5167.8-52.90000107T153T153-T162 HydrophobicContact CG2-CG2 4.06Å
163Y28.3Very low29.1Very low169 Ų169102.4 Ų102.466%0.66356%0.557SS**EExtended strand (participates in β ladder)trans-107.4115.9170.7-53.2-86.7000108.3S154S154-Y163 PolarHBondContact N-O 2.79Å; S154-Y163 VanDerWaalsContact N-O 3.11Å; S154-Y163 PolarHBondContact OG-O 3.29Å
164T28.7Very low28.7Very low84 Ų84106.7 Ų106.752%0.51558%0.583SS.*EExtended strand (participates in β ladder)trans-94.8120.2172.6-53.10000107.9T151T151-T164 HydrophobicContact CG2-CG2 3.81Å
165T29.1Very low28.6Very low86 Ų86111 Ų11153%0.52861%0.608SS.*EExtended strand (participates in β ladder)trans-108.4106.6170.8-53.80000108S152S152-T165 WeakPolarHBondContact CB-O 3.49Å; S152-T165 PolarHBondContact N-O 2.84Å; S152-T165 PolarHBondContact O-N 2.81Å; S152-T165 VanDerWaalsContact O-O 3.09Å
166T29.2Very low28.3Very low90 Ų90108.9 Ų108.955%0.55262%0.617SS**EExtended strand (participates in β ladder)trans-89.1121.7171.6-48.50000108.2V149V149-T166 HydrophobicContact CG1-CG2 4.29Å
167S29.7Very low28.1Very low36 Ų36112.4 Ų112.425%0.25264%0.642SS.*EExtended strand (participates in β ladder)trans-114.1118170.561.20000109.3I150I150-S167 PolarHBondContact O-N 2.82Å
168S28.4Very low27.9Very low103 Ų103114.1 Ų114.172%0.7266%0.655SS**EExtended strand (participates in β ladder)trans-90.1133.2169.229.80000109.6
169I31.7Very low27.7Very low46 Ų46106.3 Ų106.324%0.23665%0.65CS.*  trans-105.5120.4175.4-60.3175000107.8I150 S171I150-I169 HydrophobicContact CD1-CD1 3.61Å; I150-I169 HydrophobicContact CD1-CG1 4.37Å; I169-S171 PolarHBondContact O-N 3.49Å
170D28Very low27.7Very low157 Ų157104.2 Ų104.284%0.8465%0.653SS**  trans-75.8118.9176.4-144.4-4.8000109.3
171S31Very low27.8Very low46 Ų46100 Ų10032%0.32264%0.638SS.*  trans-87.5116.2-175.1-64.80000110.7I169I169-S171 PolarHBondContact O-N 3.49Å
172T24.4Very low27.9Very low143 Ų143105.4 Ų105.488%0.87767%0.666SS**  trans-104.697164.637.10000109.6
173T28.5Very low27.8Very low106 Ų106104.7 Ų104.765%0.6568%0.678SS**  trans-123.1115168.9-41.40000110V175T173-V175 HydrophobicContact CG2-CG2 4.1Å
174T23.2Very low27.6Very low133 Ų133100.1 Ų100.182%0.81668%0.683SS**  trans-84.8123.5166.7-50.50000107.4
175V27.8Very low27.4Very low127 Ų127101.9 Ų101.977%0.7770%0.695SS**  trans-125.2114.1173.6-142.40000109.4T173T173-V175 HydrophobicContact CG2-CG2 4.1Å
176S24.4Very low27.2Very low114 Ų114101.5 Ų101.580%0.79770%0.696SS**  trans-83.7135.4173.7-53.70000109.9
177S24.7Very low27Very low119 Ų119102.8 Ų102.883%0.83271%0.709SS**  trans-98.7142.8-173.738.60000112.9
178S29.2Very low26.8Very low123 Ų123103.5 Ų103.586%0.8671%0.712SS**  trans-162.9113.9158.153.60000113
179G27.7Very low26.6Very low77 Ų77102.6 Ų102.679%0.79471%0.705SS**  trans95.398.1137.100000121.5
180S28.1Very low26.4Very low119 Ų119101.2 Ų101.283%0.83270%0.701SS**  20.8141.5123.2-173.70000119.2
181S27Very low26.3Very low100 Ų10097.6 Ų97.670%0.69968%0.684SS**  cis-170171.67.238.70000109.7
182V29.8Very low26.4Very low138 Ų13896.1 Ų96.184%0.83668%0.677SS**  trans93.397.6157.2-163.20000118.6
183G25Very low26.6Very low82 Ų8290.3 Ų90.385%0.84564%0.641SS**  trans64.697.1130.200000120.4
184G24.6Very low26.8Very low74 Ų7487.9 Ų87.976%0.76363%0.628SS**  trans115.5170.3163.200000114.4
185P24.6Very low27.4Very low120 Ų12081.8 Ų81.878%0.77959%0.591SS**  -65.8164-96.133.3-22000115.2S187P185-S187 PolarHBondContact O-N 3.3Å
186S23.8Very low27.7Very low79 Ų7979.6 Ų79.655%0.55257%0.572SS**  trans-44.1115.8-177.3-74.70000114.4
187S25.1Very low28.3Very low116 Ų11674.3 Ų74.381%0.81154%0.535SS*.  trans-94.4116.8168.958.60000110.5P185P185-S187 PolarHBondContact O-N 3.3Å
188V26.6Very low28.8Very low52 Ų5271.2 Ų71.232%0.31551%0.513SS..  trans-90124.5171.3-178.10000109.1K57K57-V188 VanDerWaalsContact CE-O 3.29Å; K57-V188 WeakPolarHBondContact CE-O 3.34Å
189S24.1Very low29.3Very low83 Ų8366.2 Ų66.258%0.5848%0.477SS*.  trans-121.8110.2171.6-130.70000107.6
190A28.1Very low29.8Very low17 Ų1765.6 Ų65.614%0.1446%0.458CS..  trans-113.3116.7176.800000109.2A54 E55 I56 G192A54-A190 CarbonylContact C-O 3.55Å; E55-A190 VanDerWaalsContact CA-O 3.27Å; E55-A190 WeakPolarHBondContact CA-O 3.44Å; I56-A190 WeakPolarHBondContact O-CB 3.12Å; A190-G192 PolarHBondContact O-N 2.84Å
191T25.8Very low30.1Very low81 Ų8160.9 Ų60.950%0.49743%0.428SS..  trans-72.1111.2176.2-36.10000108.9A54A54-T191 WeakPolarHBondContact O-CA 3.16Å
192G31.6Very low30.4Very low16 Ų1660.4 Ų60.417%0.16543%0.425CS..  trans-96.3157.2160.500000110.3P53 A54 A190P53-G192 VanDerWaalsContact C-C 3.4Å; P53-G192 CarbonylContact C-O 3.56Å; P53-G192 CarbonylContact O-C 3.5Å; P53-G192 WeakPolarHBondContact O-CA 3.17Å; P53-G192 PolarHBondContact O-N 2.88Å; A54-G192 WeakPolarHBondContact CA-O 3.4Å; A54-G192 PolarHBondContact N-O 3.23Å; A190-G192 PolarHBondContact O-N 2.84Å
193T30Very low30.4Very low20 Ų2061 Ų6112%0.12342%0.419CS..  trans-109.4153.2177.457.90000108.6S148 V195S148-T193 PolarHBondContact OG-OG1 3.07Å; T193-V195 PolarHBondContact O-N 2.93Å
194S32.3Very low30.6Very low55 Ų5562.6 Ų62.639%0.38541%0.412SS..  trans-70111.8165.9177.20000107.8E196S194-E196 PolarHBondContact O-N 3.22Å
195V36.2Very low30.7Very low6 Ų662.8 Ų62.84%0.03641%0.406CS..  trans-72.3123.6178.7176.20000110.3L48 I150 T193L48-V195 HydrophobicContact CB-CB 4.36Å; L48-V195 HydrophobicContact CB-CG1 4.24Å; L48-V195 HydrophobicContact CD2-CB 4.35Å; L48-V195 HydrophobicContact CD2-CG1 4.36Å; L48-V195 HydrophobicContact CD2-CG2 4.46Å; I150-V195 HydrophobicContact CD1-CB 3.99Å; I150-V195 HydrophobicContact CD1-CG1 3.37Å; I150-V195 HydrophobicContact CD1-CG2 3.78Å; I150-V195 HydrophobicContact CG1-CB 4.49Å; I150-V195 HydrophobicContact CG1-CG1 3.69Å; I150-V195 HydrophobicContact CG1-CG2 4.09Å; I150-V195 HydrophobicContact CG2-CG1 4.5Å; T193-V195 PolarHBondContact O-N 2.93Å
196E33.1Very low30.7Very low80 Ų8061.4 Ų61.437%0.37441%0.405SS..  trans-114.585.4169.1-56.7-160.5131.200109K47 Y86 S194K47-E196 IonicContact NZ-OE1 3.29Å; K47-E196 PolarHBondContact NZ-OE1 2.9Å; Y86-E196 WeakPolarHBondContact CE2-OE2 3.29Å; S194-E196 PolarHBondContact O-N 3.22Å
197S36.1Very low30.7Very low3 Ų362.7 Ų62.72%0.02141%0.414CS..  trans-104.7108.9173.858.80000109.6
198C35.1Very low30.7Very low55 Ų5565.3 Ų65.337%0.37242%0.419SS..  trans-88.9114.1165.4-66.70000107.7
199T40.8Very low30.5Very low17 Ų1765.3 Ų65.310%0.10443%0.43CS..  trans-103139.4166.6-490000110.6T125T125-T199 HydrophobicContact CG2-CG2 3.41Å; T125-T199 VanDerWaalsContact CG2-CG2 3.41Å; T125-T199 WeakPolarHBondContact CG2-OG1 3.47Å; T125-T199 WeakPolarHBondContact OG1-CG2 3.5Å
200V38Very low30.4Very low64 Ų6467 Ų6739%0.38844%0.442SS..  trans-111.3105.4-170.6168.30000105.4W43 A82W43-V200 HydrophobicContact CE3-CG1 3.73Å; W43-V200 HydrophobicContact CH2-CG1 4.35Å; W43-V200 HydrophobicContact CZ3-CG1 3.26Å; A82-V200 HydrophobicContact CB-CB 4.43Å; A82-V200 HydrophobicContact CB-CG1 3.86Å; A82-V200 HydrophobicContact CB-CG2 3.68Å
201G34.4Very low30.2Very low20 Ų2075.9 Ų75.921%0.20648%0.477CS..  trans-60.9152.5177.300000111.9W43W43-G201 VanDerWaalsContact CE3-O 3.24Å; W43-G201 WeakPolarHBondContact CZ3-O 3.33Å
202S34.3Very low30.1Very low90 Ų9077.4 Ų77.463%0.62949%0.487SS*.  trans-65138.3-17425.90000113.8T204S202-T204 PolarHBondContact O-N 2.7Å
203E29.5Very low29.6Very low152 Ų15285.2 Ų85.271%0.7152%0.519SS*.  trans-62.2113.1173.1-167.6174.7137.200109.6W43 A205W43-E203 HydrophobicContact CH2-CB 3.86Å; W43-E203 HydrophobicContact CH2-CG 4.45Å; W43-E203 HydrophobicContact CZ2-CB 3.85Å; W43-E203 HydrophobicContact CZ2-CG 3.98Å; E203-A205 PolarHBondContact O-N 3.16Å
204T28.5Very low29.2Very low115 Ų11592.5 Ų92.571%0.70655%0.552SS**  trans-82.7101.5163.2-440000106.9S202 A206S202-T204 PolarHBondContact O-N 2.7Å; T204-A206 PolarHBondContact O-N 2.91Å
205A26.3Very low28.7Very low77 Ų7794.8 Ų94.864%0.63657%0.567SS**  trans-56.5113.6162.700000107E203 S207E203-A205 PolarHBondContact O-N 3.16Å; A205-S207 PolarHBondContact O-N 2.88Å
206A24.7Very low28.5Very low91 Ų91108.6 Ų108.675%0.75262%0.621SS**  trans-62.291.5169.500000107.4T204 N208T204-A206 PolarHBondContact O-N 2.91Å; A206-N208 PolarHBondContact O-N 2.71Å; A206-N208 VanDerWaalsContact O-N 3.14Å
207S24.8Very low28.2Very low107 Ų107110 Ų11075%0.74863%0.633SS**  trans-66.2112.3168.2-178.70000106.6A205 G209A205-S207 PolarHBondContact O-N 2.88Å; S207-G209 PolarHBondContact O-N 2.98Å
208N24.7Very low27.8Very low170 Ų170115.6 Ų115.691%0.90967%0.666SS**  trans-6477162-72.8-25.5000107.7A206A206-N208 PolarHBondContact O-N 2.71Å; A206-N208 VanDerWaalsContact O-N 3.14Å
209G23Very low27.4Very low53 Ų53119 Ų11955%0.54668%0.682SS.*  trans-124.999.4-174.500000110.5S207 F211S207-G209 PolarHBondContact O-N 2.98Å; G209-F211 PolarHBondContact O-N 2.67Å
210S21.7Very low26.6Very low118 Ų118125 Ų12583%0.82572%0.716SS**  trans-54.4131.1165.355.60000110.2
211F24Very low25.9Very low203 Ų203128.8 Ų128.889%0.8974%0.736SS**  trans-141.5127.1162.8-157.3-99.3000112.3G209G209-F211 PolarHBondContact O-N 2.67Å
212T22.9Very low25.3Very low114 Ų114136.1 Ų136.170%0.69977%0.772SS**  trans-77141-172.1-17.30000111
213Q21.5Very low24.7Very low179 Ų179139.4 Ų139.484%0.83678%0.782SS**  trans-70.6127170.4-172.31796600109.5
214Q20.6Very low24.3Very low174 Ų174138.4 Ų138.481%0.81379%0.787SS**  trans-124.4119.3160.7-82.7-170.3-2300109
215S22.9Very low24Very low102 Ų102140.3 Ų140.371%0.71379%0.794SS**  trans-78.1142.8171.3-550000110.3
216Y31Very low23.8Very low296 Ų296146.1 Ų146.1100%1.16181%0.809SS**  trans-119.40151.6-88.3-80.8000108.4

Retrieved 216 of 216 residues in 188.8 ms (Link to these results)

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