A0A087WQP2_MOUSE Loading...

Transformed mouse 3T3 cell double minute 4

AlphaFold DB , UniProt , Accession A0A087WQP2, Species MOUSE (Mus musculus, Mouse), Gene Mdm4, Length 110 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
1M37.3Very low43.6Very low232 Ų232137.2 Ų137.2100%1.14383%0.827SS**  091.50-76.3172.9160.400106.3
2T43.8Very low43.6Very low122 Ų122132.8 Ų132.875%0.74882%0.817SS**  47.6117.499.558.70000110.9
3S37.2Very low43.7Very low111 Ų111131.2 Ų131.278%0.77681%0.814SS**  -156.6142.871.1-63.20000114.1
4H42.1Very low43.9Very low175 Ų175129.4 Ų129.481%0.8180%0.796SS**  trans-71.9129.8163.4-61.4-94000109.1
5S45.2Very low44.2Very low122 Ų122128.1 Ų128.185%0.85380%0.795SS**  trans-96.195.1166.7-68.90000108.5S7S5-S7 PolarHBondContact O-N 3.05Å
6T45.4Very low44.7Very low128 Ų128125.3 Ų125.379%0.78579%0.788SS**  trans-60.8109.7167.9-54.50000108.6A8T6-A8 PolarHBondContact O-N 3.08Å; T6-A8 VanDerWaalsContact O-N 3.12Å
7S48.2Very low45.3Very low106 Ų106122.7 Ų122.774%0.74177%0.774SS**  trans-71.2101.8165.544.60000107.9S5 Q9S5-S7 PolarHBondContact O-N 3.05Å; S7-Q9 PolarHBondContact O-N 3.28Å
8A46.1Very low45.7Very low85 Ų85126.9 Ų126.970%0.70277%0.772SS**  trans-59109.9170.300000108.5T6 C10T6-A8 PolarHBondContact O-N 3.08Å; T6-A8 VanDerWaalsContact O-N 3.12Å; A8-C10 PolarHBondContact O-N 3.3Å
9Q45Very low46.3Very low184 Ų184123.8 Ų123.886%0.8675%0.75SS**  trans-67.6109.1165.8-71.7-175.9-3300107.3S7 S11S7-Q9 PolarHBondContact O-N 3.28Å; Q9-S11 PolarHBondContact O-N 3.09Å
10C42.6Very low47.2Very low120 Ų120120.1 Ų120.181%0.81173%0.729SS**  trans-66.1103.5166.5-63.20000107.5A8 A12A8-C10 PolarHBondContact O-N 3.3Å; C10-A12 PolarHBondContact O-N 2.9Å
11S46.7Very low47.8Very low124 Ų124119 Ų11987%0.86773%0.728SS**  trans-63.881.5161.5-900000108.8Q9 S13Q9-S11 PolarHBondContact O-N 3.09Å; S11-S13 PolarHBondContact O-N 3.12Å
12A43.6Very low48.9Very low85 Ų85115.6 Ų115.670%0.70271%0.709SS**  trans-75.4115.715800000106.4C10 D14C10-A12 PolarHBondContact O-N 2.9Å; A12-D14 PolarHBondContact O-N 2.99Å
13S44.8Very low49.8Very low112 Ų112114.2 Ų114.278%0.78369%0.694SS**  trans-58.699.6173.6-760000109.7S11 S15S11-S13 PolarHBondContact O-N 3.12Å; S13-S15 PolarHBondContact O-N 3.41Å; S13-S15 VanDerWaalsContact O-N 3.15Å
14D47Very low51.3Low106 Ų106112.4 Ų112.457%0.56768%0.675SS**  trans-85.251.3177-166.74.8000110.7A12 R18A12-D14 PolarHBondContact O-N 2.99Å; D14-R18 IonicContact OD1-NE 3.97Å; D14-R18 IonicContact OD2-CZ 3.06Å; D14-R18 IonicContact OD2-NE 2.64Å; D14-R18 PolarHBondContact OD2-NE 3.36Å; D14-R18 IonicContact OD2-NH2 2.62Å; D14-R18 PolarHBondContact OD2-NH2 2.92Å
15S48.6Very low52.8Low110 Ų110108.4 Ų108.477%0.76967%0.666SS**  trans-104.21.9178.262.20000113.7S13 C17S13-S15 PolarHBondContact O-N 3.41Å; S13-S15 VanDerWaalsContact O-N 3.15Å; S15-C17 PolarHBondContact O-N 3.5Å
16A51.2Low54.7Low83 Ų83106.2 Ų106.269%0.68664%0.642SS**SBendtrans-87.399.6173.400000110.9
17C55.7Low57Low81 Ų81105.9 Ų105.955%0.54763%0.632SS.*  trans72.345.4155.4-660000119.6S15 I19S15-C17 PolarHBondContact O-N 3.5Å; C17-I19 VanDerWaalsContact C-N 3.26Å; C17-I19 PolarHBondContact O-N 3.21Å; C17-I19 VanDerWaalsContact O-N 3.11Å
18R51.9Low59.3Low199 Ų199101 Ų10175%0.75160%0.598SS**  trans-81.873.2155.8-64.7-169.3-175.3-149.54.3110.6D14 S20D14-R18 IonicContact OD1-NE 3.97Å; D14-R18 IonicContact OD2-CZ 3.06Å; D14-R18 IonicContact OD2-NE 2.64Å; D14-R18 PolarHBondContact OD2-NE 3.36Å; D14-R18 IonicContact OD2-NH2 2.62Å; D14-R18 PolarHBondContact OD2-NH2 2.92Å; R18-S20 PolarHBondContact O-N 3.29Å
19I57.4Low61.7Low67 Ų67102.7 Ų102.734%0.34459%0.586SS.*  trans-67.8116.6164.2-57.3-179.9000106.2C17 Q23 I24 Y100C17-I19 VanDerWaalsContact C-N 3.26Å; C17-I19 PolarHBondContact O-N 3.21Å; C17-I19 VanDerWaalsContact O-N 3.11Å; I19-Q23 HydrophobicContact CG2-CB 3.57Å; I19-I24 HydrophobicContact CG2-CG1 3.83Å; I19-Y100 HydrophobicContact CD1-CE1 4.2Å
20S63.3Low64.2Low49 Ų4994.3 Ų94.334%0.34355%0.548SS..  trans-65.8151.2178.264.80000110.8R18 E22 Q23 I24R18-S20 PolarHBondContact O-N 3.29Å; S20-E22 PolarHBondContact O-N 2.64Å; S20-E22 VanDerWaalsContact O-N 3.07Å; S20-Q23 WeakPolarHBondContact O-CB 3.5Å; S20-Q23 PolarHBondContact O-N 3.01Å; S20-Q23 PolarHBondContact OG-N 2.71Å; S20-I24 PolarHBondContact O-N 2.9Å
21S59.8Low66.8Low99 Ų9993.7 Ų93.769%0.69253%0.531SS*.Hα-helixtrans-55-28.1176.1-57.20000112.8I24 S25S21-I24 PolarHBondContact O-N 3.11Å; S21-S25 PolarHBondContact O-N 3.03Å; S21-S25 PolarHBondContact O-OG 3.44Å; S21-S25 VanDerWaalsContact O-OG 3.1Å
22E61.2Low69.2Low160 Ų16093.3 Ų93.375%0.74852%0.519SS*.Hα-helixtrans-67.5-41.8174.6-66163.5162.100111.9S20 I24 S25 Q26S20-E22 PolarHBondContact O-N 2.64Å; S20-E22 VanDerWaalsContact O-N 3.07Å; E22-I24 VanDerWaalsContact C-N 3.29Å; E22-I24 PolarHBondContact O-N 2.88Å; E22-S25 PolarHBondContact O-N 3.4Å; E22-Q26 PolarHBondContact O-N 2.87Å
23Q63.4Low71.8Confident93 Ų9393.3 Ų93.344%0.43551%0.505SS..Hα-helixtrans-65.5-30.4174.6-101.8-179.9-76.300113I19 S20 S25 Q26 M50I19-Q23 HydrophobicContact CG2-CB 3.57Å; S20-Q23 WeakPolarHBondContact O-CB 3.5Å; S20-Q23 PolarHBondContact O-N 3.01Å; S20-Q23 PolarHBondContact OG-N 2.71Å; Q23-S25 VanDerWaalsContact C-N 3.29Å; Q23-Q26 WeakPolarHBondContact O-CB 3.48Å; Q23-M50 WeakPolarHBondContact O-CG 3.48Å
24I67.2Low74.3Confident73 Ų7388 Ų8837%0.37447%0.467SS..Hα-helixtrans-69.5-32.9176.6-63176.6000111I19 S20 S21 E22 K51I19-I24 HydrophobicContact CG2-CG1 3.83Å; S20-I24 PolarHBondContact O-N 2.9Å; S21-I24 PolarHBondContact O-N 3.11Å; E22-I24 VanDerWaalsContact C-N 3.29Å; E22-I24 PolarHBondContact O-N 2.88Å; I24-K51 HydrophobicContact CG2-CB 4.06Å
25S74Confident76.7Confident90 Ų9083.8 Ų83.863%0.62945%0.445SS*.Hα-helixtrans-90.9-6.1-178.3-50.10000112.9S21 E22 Q23 Q27S21-S25 PolarHBondContact O-N 3.03Å; S21-S25 PolarHBondContact O-OG 3.44Å; S21-S25 VanDerWaalsContact O-OG 3.1Å; E22-S25 PolarHBondContact O-N 3.4Å; Q23-S25 VanDerWaalsContact C-N 3.29Å; S25-Q27 PolarHBondContact O-N 2.99Å
26Q85.3Confident79.1Confident76 Ų7683.7 Ų83.736%0.35543%0.43SS..  trans-67128.4179.2-172.2165.940.100110.7E22 Q23 T109E22-Q26 PolarHBondContact O-N 2.87Å; Q23-Q26 WeakPolarHBondContact O-CB 3.48Å; Q26-T109 HydrophobicContact CG-CG2 4.06Å
27Q93.8Very high81.3Confident121 Ų12179.7 Ų79.757%0.56540%0.398SS*.EExtended strand (participates in β ladder)trans-77.3133.1173.5-71.5-175.274.300110.1S25 V47 F48 S110S25-Q27 PolarHBondContact O-N 2.99Å; Q27-V47 HydrophobicContact CB-CG1 3.84Å; Q27-V47 HydrophobicContact CG-CG1 4.16Å; Q27-V47 VanDerWaalsContact OE1-CG1 3.32Å; Q27-F48 CarbonylContact C-O 3.1Å; Q27-F48 WeakPolarHBondContact CA-O 3.32Å; Q27-S110 PolarHBondContact O-N 3.2Å; Q27-S110 VanDerWaalsContact O-N 3.12Å
28V95.6Very high83.4Confident5 Ų575.9 Ų75.93%0.0337%0.372CS..EExtended strand (participates in β ladder)trans-130.4144.5-179.5-66.70000109.7V47 F48 M50 V53 L107 V108V28-V47 WeakPolarHBondContact O-CA 3.28Å; V28-F48 WeakPolarHBondContact CG2-O 3.12Å; V28-F48 PolarHBondContact N-O 3.34Å; V28-F48 PolarHBondContact O-N 2.85Å; V28-M50 HydrophobicContact CG1-SD 4.12Å; V28-M50 HydrophobicContact CG2-SD 4.33Å; V28-V53 HydrophobicContact CG2-CG2 4.05Å; V28-L107 HydrophobicContact CB-CB 4.28Å; V28-L107 HydrophobicContact CB-CD1 4.4Å; V28-L107 HydrophobicContact CB-CD2 4.2Å; V28-L107 HydrophobicContact CG1-CB 4.47Å; V28-L107 HydrophobicContact CG1-CD1 4.46Å; V28-L107 HydrophobicContact CG2-CD1 4.13Å; V28-L107 HydrophobicContact CG2-CD2 3.95Å; V28-V108 CarbonylContact C-O 3.57Å; V28-V108 WeakPolarHBondContact CA-O 3.44Å
29R97.5Very high85.6Confident119 Ų11970.2 Ų70.245%0.44935%0.353SS..EExtended strand (participates in β ladder)trans-109.2108.9173.3-174.4178.7-109.2-98.11.5109.1E46 V108R29-E46 IonicContact CZ-OE2 3.93Å; R29-E46 IonicContact NH1-OE2 3.86Å; R29-E46 PolarHBondContact NH1-OE2 3.4Å; R29-E46 IonicContact NH2-OE2 3.39Å; R29-E46 PolarHBondContact NH2-OE2 2.94Å; R29-V108 PolarHBondContact N-O 3.42Å; R29-V108 PolarHBondContact O-N 3.47Å
30P97.6Very high87.5Confident9 Ų970.1 Ų70.16%0.05836%0.363CS..EExtended strand (participates in β ladder)trans-65.3143.4176.4-21.333.3000112.6L34 L35 L38 E46 F48 N106 L107P30-L34 HydrophobicContact CB-CB 4.12Å; P30-L34 HydrophobicContact CB-CD2 4.03Å; P30-L34 HydrophobicContact CB-CG 3.99Å; P30-L35 HydrophobicContact CB-CB 4.34Å; P30-L38 HydrophobicContact CB-CD1 4.25Å; P30-L38 HydrophobicContact CG-CD1 3.69Å; P30-E46 WeakPolarHBondContact CD-O 3.44Å; P30-F48 HydrophobicContact CG-CD2 3.62Å; P30-F48 HydrophobicContact CG-CE2 4.05Å; P30-N106 CarbonylContact C-O 3.5Å; P30-N106 WeakPolarHBondContact CA-O 3.41Å; P30-L107 HydrophobicContact CB-CD2 3.99Å; P30-L107 HydrophobicContact CG-CD2 3.81Å
31K97.7Very high89.1Confident107 Ų10768.5 Ų68.547%0.46535%0.353SS..  trans-64.5157.2166.6-68.5-177.2-176.2168.50110.2Q33 L34 L35 K105 N106K31-Q33 VanDerWaalsContact C-N 3.26Å; K31-Q33 PolarHBondContact O-N 3.04Å; K31-Q33 VanDerWaalsContact O-N 3.07Å; K31-L34 PolarHBondContact O-N 2.91Å; K31-L35 PolarHBondContact O-N 2.74Å; K31-K105 WeakPolarHBondContact CE-O 3.4Å; K31-K105 PolarHBondContact NZ-O 3.48Å; K31-N106 PolarHBondContact N-O 3.05Å
32L97.1Very high90.9Very high115 Ų11566.2 Ų66.260%0.60234%0.344SS*.Hα-helixtrans-49.8-41.1-172.6-177.462.1000114.4L35 K36L32-L35 PolarHBondContact O-N 3.24Å; L32-K36 WeakPolarHBondContact O-CG 3.35Å; L32-K36 PolarHBondContact O-N 2.75Å
33Q96.7Very high92.6Very high86 Ų8658.9 Ų58.940%0.40231%0.311SS..Hα-helixtrans-64.4-48.5-179.9-67.8-73.6-25.400111.8K31 K36 I37 L81 L85K31-Q33 VanDerWaalsContact C-N 3.26Å; K31-Q33 PolarHBondContact O-N 3.04Å; K31-Q33 VanDerWaalsContact O-N 3.07Å; Q33-K36 PolarHBondContact O-N 3.47Å; Q33-I37 PolarHBondContact O-N 3.44Å; Q33-L81 VanDerWaalsContact OE1-CD1 3.27Å; Q33-L85 HydrophobicContact CB-CD1 3.8Å
34L97.7Very high94.2Very high0 Ų062.6 Ų62.60%033%0.328CS..Hα-helixtrans-65.6-41175.5-179.555.7000111.1P30 K31 K36 I37 L38 V53 L57 L85 M102 L103 N106 L107P30-L34 HydrophobicContact CB-CB 4.12Å; P30-L34 HydrophobicContact CB-CD2 4.03Å; P30-L34 HydrophobicContact CB-CG 3.99Å; K31-L34 PolarHBondContact O-N 2.91Å; L34-K36 VanDerWaalsContact C-N 3.3Å; L34-K36 PolarHBondContact O-N 2.8Å; L34-I37 WeakPolarHBondContact O-CB 3.4Å; L34-I37 PolarHBondContact O-N 3.06Å; L34-L38 HydrophobicContact CD1-CD2 4.38Å; L34-L38 HydrophobicContact CD1-CG 4.4Å; L34-L38 HydrophobicContact CG-CD1 4.38Å; L34-L38 HydrophobicContact CG-CG 4.44Å; L34-L38 WeakPolarHBondContact O-CG 3.25Å; L34-L38 PolarHBondContact O-N 2.7Å; L34-V53 HydrophobicContact CD2-CG1 4.44Å; L34-L57 HydrophobicContact CD1-CD1 4.42Å; L34-L57 HydrophobicContact CD1-CD2 4Å; L34-L85 HydrophobicContact CB-CD2 3.9Å; L34-L85 HydrophobicContact CD1-CD2 3.94Å; L34-L85 HydrophobicContact CG-CD2 4.47Å; L34-M102 HydrophobicContact CD1-CE 4.22Å; L34-M102 HydrophobicContact CD1-SD 4.2Å; L34-M102 HydrophobicContact CD2-SD 4.34Å; L34-L103 HydrophobicContact CD2-CD2 4.11Å; L34-N106 HydrophobicContact CB-CB 4.09Å; L34-N106 HydrophobicContact CD2-CB 3.82Å; L34-L107 HydrophobicContact CD2-CD2 3.67Å; L34-L107 HydrophobicContact CD2-CG 4.18Å
35L98.1Very high95.6Very high18 Ų1861.3 Ų61.39%0.09433%0.334CS..Hα-helixtrans-57.7-41.6178.7-172.262.6000112.3P30 K31 L32 I37 L38 H39 E46 F48P30-L35 HydrophobicContact CB-CB 4.34Å; K31-L35 PolarHBondContact O-N 2.74Å; L32-L35 PolarHBondContact O-N 3.24Å; L35-I37 VanDerWaalsContact C-N 3.31Å; L35-I37 PolarHBondContact O-N 2.89Å; L35-L38 PolarHBondContact O-N 3.39Å; L35-H39 WeakPolarHBondContact CD1-NE2 3.33Å; L35-H39 PolarHBondContact O-N 3.16Å; L35-E46 HydrophobicContact CD2-CG 4.43Å; L35-F48 HydrophobicContact CD1-CE2 3.64Å; L35-F48 HydrophobicContact CD1-CZ 4.17Å
36K98.1Very high96.7Very high107 Ų10761.5 Ų61.547%0.46533%0.325SS..Hα-helixtrans-59.4-40.3175.1-74.3173.8179.2-178.20112.6L32 Q33 L34 A40 L81L32-K36 WeakPolarHBondContact O-CG 3.35Å; L32-K36 PolarHBondContact O-N 2.75Å; Q33-K36 PolarHBondContact O-N 3.47Å; L34-K36 VanDerWaalsContact C-N 3.3Å; L34-K36 PolarHBondContact O-N 2.8Å; K36-A40 VanDerWaalsContact O-CB 3.32Å; K36-A40 WeakPolarHBondContact O-CB 3.16Å; K36-A40 PolarHBondContact O-N 2.81Å; K36-L81 HydrophobicContact CB-CD2 4.12Å
37I98.3Very high97.2Very high0 Ų060.7 Ų60.70%033%0.325CS..Hα-helixtrans-64-47.1176.3-63.8175.5000109.9Q33 L34 L35 H39 A40 A41 L57 Y60 L81 L82 L85Q33-I37 PolarHBondContact O-N 3.44Å; L34-I37 WeakPolarHBondContact O-CB 3.4Å; L34-I37 PolarHBondContact O-N 3.06Å; L35-I37 VanDerWaalsContact C-N 3.31Å; L35-I37 PolarHBondContact O-N 2.89Å; I37-H39 PolarHBondContact O-N 2.95Å; I37-A40 PolarHBondContact O-N 2.91Å; I37-A41 PolarHBondContact O-N 3.36Å; I37-A41 VanDerWaalsContact O-N 3.1Å; I37-L57 HydrophobicContact CG2-CD2 3.89Å; I37-Y60 HydrophobicContact CB-CD2 4.46Å; I37-Y60 HydrophobicContact CB-CE2 4.41Å; I37-Y60 HydrophobicContact CG2-CD1 3.78Å; I37-Y60 HydrophobicContact CG2-CD2 3.6Å; I37-Y60 HydrophobicContact CG2-CE1 4.05Å; I37-Y60 HydrophobicContact CG2-CE2 3.88Å; I37-Y60 HydrophobicContact CG2-CG 3.53Å; I37-Y60 WeakPolarHBondContact O-CD2 3.33Å; I37-L81 HydrophobicContact CD1-CB 4.45Å; I37-L81 HydrophobicContact CD1-CD2 4.34Å; I37-L81 HydrophobicContact CD1-CG 4.06Å; I37-L81 HydrophobicContact CG1-CB 4.3Å; I37-L81 HydrophobicContact CG1-CD2 3.62Å; I37-L81 HydrophobicContact CG1-CG 3.87Å; I37-L82 HydrophobicContact CD1-CB 4.35Å; I37-L82 HydrophobicContact CD1-CD1 4.32Å; I37-L85 HydrophobicContact CD1-CB 4.4Å; I37-L85 HydrophobicContact CD1-CD2 3.73Å
38L98.5Very high97.4Very high0 Ų055.3 Ų55.30%030%0.299CS..Hα-helixtrans-62.6-43.6179.8-56.7177.7000111.3P30 L34 L35 A41 G42 A43 F48 V53 L57P30-L38 HydrophobicContact CB-CD1 4.25Å; P30-L38 HydrophobicContact CG-CD1 3.69Å; L34-L38 HydrophobicContact CD1-CD2 4.38Å; L34-L38 HydrophobicContact CD1-CG 4.4Å; L34-L38 HydrophobicContact CG-CD1 4.38Å; L34-L38 HydrophobicContact CG-CG 4.44Å; L34-L38 WeakPolarHBondContact O-CG 3.25Å; L34-L38 PolarHBondContact O-N 2.7Å; L35-L38 PolarHBondContact O-N 3.39Å; L38-A41 CarbonylContact O-C 3.49Å; L38-A41 WeakPolarHBondContact O-CA 3.3Å; L38-A41 WeakPolarHBondContact O-CB 3.22Å; L38-A41 PolarHBondContact O-N 3.4Å; L38-A41 VanDerWaalsContact O-N 3.08Å; L38-G42 PolarHBondContact O-N 3.47Å; L38-A43 VanDerWaalsContact C-CB 3.49Å; L38-A43 HydrophobicContact CB-CB 3.8Å; L38-A43 WeakPolarHBondContact O-CB 3.35Å; L38-A43 PolarHBondContact O-N 3.06Å; L38-F48 HydrophobicContact CD1-CD2 4.12Å; L38-F48 HydrophobicContact CD1-CE2 4.08Å; L38-F48 HydrophobicContact CD1-CZ 4.48Å; L38-V53 HydrophobicContact CD1-CG2 4.25Å; L38-V53 HydrophobicContact CD2-CG1 4.37Å; L38-L57 HydrophobicContact CD2-CG 4.1Å
39H98.4Very high97.4Very high80 Ų8056.6 Ų56.637%0.3731%0.307SS..Hα-helixtrans-65.1-39.5176.5-70.3174.5000112.5L35 I37 A41 G42 A43 G45L35-H39 WeakPolarHBondContact CD1-NE2 3.33Å; L35-H39 PolarHBondContact O-N 3.16Å; I37-H39 PolarHBondContact O-N 2.95Å; H39-A41 PolarHBondContact O-N 3.43Å; H39-G42 PolarHBondContact O-N 3.32Å; H39-A43 PolarHBondContact CD2-O 3.04Å; H39-G45 PolarHBondContact NE2-O 3.21Å
40A97.8Very high97.2Very high65 Ų6552.7 Ų52.754%0.53729%0.294SS..Hα-helixtrans-62.6-22.4173.200000112.7K36 I37 Y60K36-A40 VanDerWaalsContact O-CB 3.32Å; K36-A40 WeakPolarHBondContact O-CB 3.16Å; K36-A40 PolarHBondContact O-N 2.81Å; I37-A40 PolarHBondContact O-N 2.91Å; A40-Y60 HydrophobicContact CB-CD2 4.06Å; A40-Y60 HydrophobicContact CB-CE2 3.82Å
41A97.7Very high97Very high16 Ų1659.3 Ų59.313%0.13232%0.322CS..THydrogen-bonded Turntrans-880.7172.400000114.2I37 L38 H39 Y56 Q59 Y60I37-A41 PolarHBondContact O-N 3.36Å; I37-A41 VanDerWaalsContact O-N 3.1Å; L38-A41 CarbonylContact O-C 3.49Å; L38-A41 WeakPolarHBondContact O-CA 3.3Å; L38-A41 WeakPolarHBondContact O-CB 3.22Å; L38-A41 PolarHBondContact O-N 3.4Å; L38-A41 VanDerWaalsContact O-N 3.08Å; H39-A41 PolarHBondContact O-N 3.43Å; A41-Y56 HydrophobicContact CB-CD1 4.37Å; A41-Y56 VanDerWaalsContact CB-O 3.23Å; A41-Y56 WeakPolarHBondContact CB-O 3.38Å; A41-Q59 HydrophobicContact CB-CB 4.18Å; A41-Y60 HydrophobicContact CB-CD2 4.46Å
42G97.2Very high97Very high50 Ų5058.1 Ų58.152%0.51532%0.318SS..THydrogen-bonded Turntrans96.37.6179.700000115.5L38 H39L38-G42 PolarHBondContact O-N 3.47Å; H39-G42 PolarHBondContact O-N 3.32Å
43A97.8Very high96.9Very high6 Ų652.6 Ų52.65%0.0529%0.29CS..  trans-67.4151.2173.300000111.6L38 H39 F48 Y56L38-A43 VanDerWaalsContact C-CB 3.49Å; L38-A43 HydrophobicContact CB-CB 3.8Å; L38-A43 WeakPolarHBondContact O-CB 3.35Å; L38-A43 PolarHBondContact O-N 3.06Å; H39-A43 PolarHBondContact CD2-O 3.04Å; A43-F48 HydrophobicContact CB-CE1 3.81Å; A43-F48 HydrophobicContact CB-CZ 4.03Å; A43-Y56 HydrophobicContact CB-CD1 3.83Å; A43-Y56 HydrophobicContact CB-CD2 3.6Å; A43-Y56 HydrophobicContact CB-CE1 3.82Å; A43-Y56 HydrophobicContact CB-CE2 3.61Å; A43-Y56 HydrophobicContact CB-CG 3.73Å
44Q96.7Very high96.9Very high171 Ų17151.7 Ų51.780%0.79929%0.286SS*.  trans-128.3153.1175.1-62.5-177.34.200110.2F48Q44-F48 WeakPolarHBondContact O-CE1 3.47Å
45G96.1Very high96.8Very high47 Ų4756.6 Ų56.649%0.48531%0.309SS..SBendtrans84-172.1-177.700000113.5H39H39-G45 PolarHBondContact NE2-O 3.21Å
46E96.9Very high96.8Very high94 Ų9458.4 Ų58.444%0.43932%0.315SS..SBendtrans-123.9-8.7-174-57.7-170.1161.900113.5R29 P30 L35R29-E46 IonicContact CZ-OE2 3.93Å; R29-E46 IonicContact NH1-OE2 3.86Å; R29-E46 PolarHBondContact NH1-OE2 3.4Å; R29-E46 IonicContact NH2-OE2 3.39Å; R29-E46 PolarHBondContact NH2-OE2 2.94Å; P30-E46 WeakPolarHBondContact CD-O 3.44Å; L35-E46 HydrophobicContact CD2-CG 4.43Å
47V96.9Very high96.8Very high59 Ų5953.5 Ų53.536%0.35829%0.294SS..  trans-122.8134.7-178.2-177.60000108.4Q27 V28Q27-V47 HydrophobicContact CB-CG1 3.84Å; Q27-V47 HydrophobicContact CG-CG1 4.16Å; Q27-V47 VanDerWaalsContact OE1-CG1 3.32Å; V28-V47 WeakPolarHBondContact O-CA 3.28Å
48F96.9Very high96.7Very high7 Ų754.9 Ų54.93%0.03131%0.308CS..EExtended strand (participates in β ladder)trans-140.3165.4-175.4-58.5-84.3000109.9Q27 V28 P30 L35 L38 A43 Q44 E52 V53 Y56Q27-F48 CarbonylContact C-O 3.1Å; Q27-F48 WeakPolarHBondContact CA-O 3.32Å; V28-F48 WeakPolarHBondContact CG2-O 3.12Å; V28-F48 PolarHBondContact N-O 3.34Å; V28-F48 PolarHBondContact O-N 2.85Å; P30-F48 HydrophobicContact CG-CD2 3.62Å; P30-F48 HydrophobicContact CG-CE2 4.05Å; L35-F48 HydrophobicContact CD1-CE2 3.64Å; L35-F48 HydrophobicContact CD1-CZ 4.17Å; L38-F48 HydrophobicContact CD1-CD2 4.12Å; L38-F48 HydrophobicContact CD1-CE2 4.08Å; L38-F48 HydrophobicContact CD1-CZ 4.48Å; A43-F48 HydrophobicContact CB-CE1 3.81Å; A43-F48 HydrophobicContact CB-CZ 4.03Å; Q44-F48 WeakPolarHBondContact O-CE1 3.47Å; F48-E52 WeakPolarHBondContact CA-OE2 3.39Å; F48-E52 HydrophobicContact CB-CB 4.19Å; F48-E52 HydrophobicContact CD1-CB 4.23Å; F48-V53 HydrophobicContact CB-CG2 3.78Å; F48-V53 HydrophobicContact CG-CG2 4.42Å; F48-Y56 HydrophobicContact CD1-CE2 4.39Å; F48-Y56 HydrophobicContact CE1-CE2 4.3Å
49T95.6Very high96.7Very high33 Ų3358.3 Ų58.320%0.20232%0.324CS..EExtended strand (participates in β ladder)trans-88.2160.5161.959.60000110.6K51 E52 V53T49-K51 PolarHBondContact O-N 3.36Å; T49-E52 WeakPolarHBondContact CB-OE2 3.34Å; T49-E52 PolarHBondContact N-OE2 2.94Å; T49-E52 PolarHBondContact O-N 3.14Å; T49-E52 VanDerWaalsContact O-N 3.13Å; T49-E52 VanDerWaalsContact OG1-CG 3.31Å; T49-E52 WeakPolarHBondContact OG1-CG 3.43Å; T49-E52 PolarHBondContact OG1-N 2.79Å; T49-E52 PolarHBondContact OG1-OE2 3.31Å; T49-V53 WeakPolarHBondContact O-CG2 3.32Å; T49-V53 PolarHBondContact O-N 3.08Å
50M93.2Very high96.7Very high36 Ų3654.8 Ų54.818%0.17731%0.308CS..Hα-helixtrans-54.8-36.5171-72.2-57.4-57.400112Q23 V28 V53 M54 L103 L107Q23-M50 WeakPolarHBondContact O-CG 3.48Å; V28-M50 HydrophobicContact CG1-SD 4.12Å; V28-M50 HydrophobicContact CG2-SD 4.33Å; M50-V53 PolarHBondContact O-N 3.1Å; M50-M54 VanDerWaalsContact O-CG 3.24Å; M50-M54 WeakPolarHBondContact O-CG 3.37Å; M50-M54 PolarHBondContact O-N 2.99Å; M50-L103 HydrophobicContact CE-CD1 3.98Å; M50-L107 HydrophobicContact CE-CD1 3.87Å; M50-L107 HydrophobicContact SD-CD1 3.36Å; M50-L107 WeakPolarHBondContact SD-CD1 3.5Å
51K94.2Very high96.7Very high149 Ų14952.7 Ų52.765%0.64829%0.287SS*.Hα-helixtrans-61.8-46.6176.8-176-179.4176.5-174.80112.1I24 T49 M54 H55I24-K51 HydrophobicContact CG2-CB 4.06Å; T49-K51 PolarHBondContact O-N 3.36Å; K51-M54 PolarHBondContact O-N 3.37Å; K51-H55 WeakPolarHBondContact O-CB 3.4Å; K51-H55 PolarHBondContact O-N 3.34Å
52E96.6Very high96.7Very high81 Ų8157.5 Ų57.538%0.37931%0.309SS..Hα-helixtrans-66-42.7178.8-73.9162143.100111.4F48 T49 M54 H55 Y56F48-E52 WeakPolarHBondContact CA-OE2 3.39Å; F48-E52 HydrophobicContact CB-CB 4.19Å; F48-E52 HydrophobicContact CD1-CB 4.23Å; T49-E52 WeakPolarHBondContact CB-OE2 3.34Å; T49-E52 PolarHBondContact N-OE2 2.94Å; T49-E52 PolarHBondContact O-N 3.14Å; T49-E52 VanDerWaalsContact O-N 3.13Å; T49-E52 VanDerWaalsContact OG1-CG 3.31Å; T49-E52 WeakPolarHBondContact OG1-CG 3.43Å; T49-E52 PolarHBondContact OG1-N 2.79Å; T49-E52 PolarHBondContact OG1-OE2 3.31Å; E52-M54 VanDerWaalsContact C-N 3.33Å; E52-M54 PolarHBondContact O-N 3.46Å; E52-H55 WeakPolarHBondContact O-CB 3.41Å; E52-H55 PolarHBondContact O-N 2.86Å; E52-Y56 HydrophobicContact CB-CD2 4.31Å; E52-Y56 HydrophobicContact CB-CE2 4.25Å; E52-Y56 WeakPolarHBondContact O-CD2 3.21Å; E52-Y56 PolarHBondContact O-N 3.31Å
53V96.6Very high96.7Very high0 Ų060.1 Ų60.10%031%0.314CS..Hα-helixtrans-57.6-47.9176.2174.70000110.8V28 L34 L38 F48 T49 M50 H55 Y56 L57 L103 L107V28-V53 HydrophobicContact CG2-CG2 4.05Å; L34-V53 HydrophobicContact CD2-CG1 4.44Å; L38-V53 HydrophobicContact CD1-CG2 4.25Å; L38-V53 HydrophobicContact CD2-CG1 4.37Å; F48-V53 HydrophobicContact CB-CG2 3.78Å; F48-V53 HydrophobicContact CG-CG2 4.42Å; T49-V53 WeakPolarHBondContact O-CG2 3.32Å; T49-V53 PolarHBondContact O-N 3.08Å; M50-V53 PolarHBondContact O-N 3.1Å; V53-H55 VanDerWaalsContact C-N 3.35Å; V53-H55 PolarHBondContact O-N 3.13Å; V53-Y56 PolarHBondContact O-N 3.35Å; V53-L57 HydrophobicContact CG1-CD1 3.87Å; V53-L57 WeakPolarHBondContact O-CB 3.45Å; V53-L57 WeakPolarHBondContact O-CG 3.45Å; V53-L57 PolarHBondContact O-N 2.97Å; V53-L103 HydrophobicContact CG1-CD2 3.51Å; V53-L107 HydrophobicContact CG2-CD2 4.23Å
54M95.3Very high96.6Very high66 Ų6664.6 Ų64.633%0.32533%0.332SS..Hα-helixtrans-62.8-41.6177.4-69.1-65.1-69.900112.1M50 K51 E52 L57 G58 L99 Y100 L103M50-M54 VanDerWaalsContact O-CG 3.24Å; M50-M54 WeakPolarHBondContact O-CG 3.37Å; M50-M54 PolarHBondContact O-N 2.99Å; K51-M54 PolarHBondContact O-N 3.37Å; E52-M54 VanDerWaalsContact C-N 3.33Å; E52-M54 PolarHBondContact O-N 3.46Å; M54-L57 PolarHBondContact O-N 2.75Å; M54-G58 PolarHBondContact O-N 3.24Å; M54-G58 VanDerWaalsContact O-N 3.09Å; M54-L99 HydrophobicContact CE-CD2 3.67Å; M54-L99 HydrophobicContact SD-CD2 3.89Å; M54-Y100 HydrophobicContact CE-CE1 4.49Å; M54-L103 HydrophobicContact SD-CD1 3.61Å
55H96.5Very high96.7Very high104 Ų10462.7 Ų62.748%0.48132%0.324SS..Hα-helixtrans-60.4-52.9177.6176.168.8000111.6K51 E52 V53 L57 G58 Q59K51-H55 WeakPolarHBondContact O-CB 3.4Å; K51-H55 PolarHBondContact O-N 3.34Å; E52-H55 WeakPolarHBondContact O-CB 3.41Å; E52-H55 PolarHBondContact O-N 2.86Å; V53-H55 VanDerWaalsContact C-N 3.35Å; V53-H55 PolarHBondContact O-N 3.13Å; H55-L57 VanDerWaalsContact C-N 3.33Å; H55-L57 PolarHBondContact O-N 3.45Å; H55-G58 PolarHBondContact O-N 3.07Å; H55-G58 VanDerWaalsContact O-N 3.15Å; H55-Q59 WeakPolarHBondContact O-CG 3.11Å; H55-Q59 PolarHBondContact O-N 2.9Å
56Y98.5Very high96.8Very high55 Ų5561.6 Ų61.622%0.21631%0.307CS..Hα-helixtrans-67.8-30.6-178.7-73.2-61.5000113.2A41 A43 F48 E52 V53 Q59 Y60A41-Y56 HydrophobicContact CB-CD1 4.37Å; A41-Y56 VanDerWaalsContact CB-O 3.23Å; A41-Y56 WeakPolarHBondContact CB-O 3.38Å; A43-Y56 HydrophobicContact CB-CD1 3.83Å; A43-Y56 HydrophobicContact CB-CD2 3.6Å; A43-Y56 HydrophobicContact CB-CE1 3.82Å; A43-Y56 HydrophobicContact CB-CE2 3.61Å; A43-Y56 HydrophobicContact CB-CG 3.73Å; F48-Y56 HydrophobicContact CD1-CE2 4.39Å; F48-Y56 HydrophobicContact CE1-CE2 4.3Å; E52-Y56 HydrophobicContact CB-CD2 4.31Å; E52-Y56 HydrophobicContact CB-CE2 4.25Å; E52-Y56 WeakPolarHBondContact O-CD2 3.21Å; E52-Y56 PolarHBondContact O-N 3.31Å; V53-Y56 PolarHBondContact O-N 3.35Å; Y56-Q59 PolarHBondContact O-N 3.43Å; Y56-Y60 WeakPolarHBondContact O-CB 3.42Å; Y56-Y60 PolarHBondContact O-N 2.87Å
57L97.5Very high96.8Very high4 Ų460.6 Ų60.62%0.02130%0.299CS..Hα-helixtrans-64-42.1170.5-77.5167.6000111.9L34 I37 L38 V53 M54 H55 Y60 I61 L82 L99 M102 L103L34-L57 HydrophobicContact CD1-CD1 4.42Å; L34-L57 HydrophobicContact CD1-CD2 4Å; I37-L57 HydrophobicContact CG2-CD2 3.89Å; L38-L57 HydrophobicContact CD2-CG 4.1Å; V53-L57 HydrophobicContact CG1-CD1 3.87Å; V53-L57 WeakPolarHBondContact O-CB 3.45Å; V53-L57 WeakPolarHBondContact O-CG 3.45Å; V53-L57 PolarHBondContact O-N 2.97Å; M54-L57 PolarHBondContact O-N 2.75Å; H55-L57 VanDerWaalsContact C-N 3.33Å; H55-L57 PolarHBondContact O-N 3.45Å; L57-Y60 PolarHBondContact O-N 3Å; L57-I61 WeakPolarHBondContact O-CG1 3.37Å; L57-I61 PolarHBondContact O-N 3.49Å; L57-I61 VanDerWaalsContact O-N 3.13Å; L57-L82 HydrophobicContact CD2-CD1 4.07Å; L57-L99 HydrophobicContact CD1-CD1 4.09Å; L57-M102 HydrophobicContact CD1-CE 4.02Å; L57-M102 HydrophobicContact CD2-CE 4.42Å; L57-L103 HydrophobicContact CD1-CD2 3.84Å
58G96.7Very high96.9Very high30 Ų3060 Ų6031%0.30929%0.294SS..Hα-helixtrans-59-46.4171.600000112M54 H55 Y60 I61 M62M54-G58 PolarHBondContact O-N 3.24Å; M54-G58 VanDerWaalsContact O-N 3.09Å; H55-G58 PolarHBondContact O-N 3.07Å; H55-G58 VanDerWaalsContact O-N 3.15Å; G58-Y60 PolarHBondContact O-N 3.41Å; G58-I61 PolarHBondContact O-N 2.89Å; G58-M62 WeakPolarHBondContact O-CG 3.45Å; G58-M62 PolarHBondContact O-N 3.19Å
59Q98.3Very high96.8Very high72 Ų7266.9 Ų66.934%0.33633%0.326SS..Hα-helixtrans-60.9-42.1176.9-66.2-60.2101.400112.4A41 H55 Y56 I61 M62 V63A41-Q59 HydrophobicContact CB-CB 4.18Å; H55-Q59 WeakPolarHBondContact O-CG 3.11Å; H55-Q59 PolarHBondContact O-N 2.9Å; Y56-Q59 PolarHBondContact O-N 3.43Å; Q59-I61 PolarHBondContact O-N 3.04Å; Q59-M62 PolarHBondContact O-N 3.05Å; Q59-V63 WeakPolarHBondContact O-CB 3.04Å; Q59-V63 WeakPolarHBondContact O-CG2 3.21Å; Q59-V63 PolarHBondContact O-N 2.94Å
60Y98.4Very high96.9Very high5 Ų574.1 Ų74.12%0.0236%0.358CS..Hα-helixtrans-58.7-48177.3-175.6-94.8000111.7I37 A40 A41 Y56 L57 G58 M62 V63 K64 L66 D80 L82I37-Y60 HydrophobicContact CB-CD2 4.46Å; I37-Y60 HydrophobicContact CB-CE2 4.41Å; I37-Y60 HydrophobicContact CG2-CD1 3.78Å; I37-Y60 HydrophobicContact CG2-CD2 3.6Å; I37-Y60 HydrophobicContact CG2-CE1 4.05Å; I37-Y60 HydrophobicContact CG2-CE2 3.88Å; I37-Y60 HydrophobicContact CG2-CG 3.53Å; I37-Y60 WeakPolarHBondContact O-CD2 3.33Å; A40-Y60 HydrophobicContact CB-CD2 4.06Å; A40-Y60 HydrophobicContact CB-CE2 3.82Å; A41-Y60 HydrophobicContact CB-CD2 4.46Å; Y56-Y60 WeakPolarHBondContact O-CB 3.42Å; Y56-Y60 PolarHBondContact O-N 2.87Å; L57-Y60 PolarHBondContact O-N 3Å; G58-Y60 PolarHBondContact O-N 3.41Å; Y60-M62 VanDerWaalsContact C-N 3.31Å; Y60-M62 PolarHBondContact O-N 3.49Å; Y60-V63 PolarHBondContact O-N 3.41Å; Y60-K64 HydrophobicContact CE1-CD 3.91Å; Y60-K64 HydrophobicContact CE2-CD 4.09Å; Y60-K64 WeakPolarHBondContact O-CB 3.23Å; Y60-K64 PolarHBondContact O-N 3.09Å; Y60-K64 WeakPolarHBondContact OH-CE 3.44Å; Y60-K64 PolarHBondContact OH-NZ 3.2Å; Y60-L66 HydrophobicContact CD1-CD1 4.26Å; Y60-L66 HydrophobicContact CE1-CD1 3.95Å; Y60-D80 WeakPolarHBondContact CE1-OD1 3.44Å; Y60-D80 VanDerWaalsContact OH-CG 3.26Å; Y60-D80 PolarHBondContact OH-OD1 3.24Å; Y60-D80 PolarHBondContact OH-OD2 3.01Å; Y60-L82 HydrophobicContact CD1-CB 4.43Å; Y60-L82 HydrophobicContact CD1-CD2 4.25Å; Y60-L82 HydrophobicContact CE1-CB 3.88Å; Y60-L82 HydrophobicContact CE1-CD2 4.43Å
61I97.7Very high97Very high22 Ų2277.3 Ų77.311%0.11337%0.372CS..Hα-helixtrans-59.5-42.8177.3-69.7164.3000110.7L57 G58 Q59 Q65 L66 V75 L82 F91L57-I61 WeakPolarHBondContact O-CG1 3.37Å; L57-I61 PolarHBondContact O-N 3.49Å; L57-I61 VanDerWaalsContact O-N 3.13Å; G58-I61 PolarHBondContact O-N 2.89Å; Q59-I61 PolarHBondContact O-N 3.04Å; I61-Q65 WeakPolarHBondContact O-CA 3.39Å; I61-Q65 PolarHBondContact O-N 3.3Å; I61-L66 HydrophobicContact CG2-CB 4.26Å; I61-L66 PolarHBondContact O-N 3.48Å; I61-V75 HydrophobicContact CD1-CG1 4.36Å; I61-V75 HydrophobicContact CD1-CG2 4.34Å; I61-V75 HydrophobicContact CG1-CG1 4.29Å; I61-V75 HydrophobicContact CG2-CG1 4.22Å; I61-V75 HydrophobicContact CG2-CG2 4.05Å; I61-L82 HydrophobicContact CD1-CD2 4.06Å; I61-L82 HydrophobicContact CG1-CD2 3.65Å; I61-F91 HydrophobicContact CD1-CZ 4.05Å
62M96.9Very high97.1Very high117 Ų11776.8 Ų76.858%0.57637%0.372SS*.Hα-helixtrans-66.6-49.5178.9-72-176.662.800112.6G58 Q59 Y60 K64 Q65G58-M62 WeakPolarHBondContact O-CG 3.45Å; G58-M62 PolarHBondContact O-N 3.19Å; Q59-M62 PolarHBondContact O-N 3.05Å; Y60-M62 VanDerWaalsContact C-N 3.31Å; Y60-M62 PolarHBondContact O-N 3.49Å; M62-K64 VanDerWaalsContact C-N 3.31Å; M62-K64 PolarHBondContact O-N 3.15Å; M62-Q65 PolarHBondContact O-N 2.62Å; M62-Q65 VanDerWaalsContact O-N 3.08Å
63V96.6Very high97Very high104 Ų10475.1 Ų75.163%0.6336%0.364SS*.Hα-helixtrans-62.7-39.6-177.8169.20000111.2Q59 Y60 Q65Q59-V63 WeakPolarHBondContact O-CB 3.04Å; Q59-V63 WeakPolarHBondContact O-CG2 3.21Å; Q59-V63 PolarHBondContact O-N 2.94Å; Y60-V63 PolarHBondContact O-N 3.41Å; V63-Q65 VanDerWaalsContact C-N 3.3Å
64K97.6Very high97.1Very high100 Ų10076.7 Ų76.744%0.43537%0.372SS..THydrogen-bonded Turntrans-83.5-3.4176.8-73.3-152.9173-169.60114.6Y60 M62 L66 D80Y60-K64 HydrophobicContact CE1-CD 3.91Å; Y60-K64 HydrophobicContact CE2-CD 4.09Å; Y60-K64 WeakPolarHBondContact O-CB 3.23Å; Y60-K64 PolarHBondContact O-N 3.09Å; Y60-K64 WeakPolarHBondContact OH-CE 3.44Å; Y60-K64 PolarHBondContact OH-NZ 3.2Å; M62-K64 VanDerWaalsContact C-N 3.31Å; M62-K64 PolarHBondContact O-N 3.15Å; K64-L66 HydrophobicContact CB-CD1 4.17Å; K64-L66 HydrophobicContact CB-CD2 4.05Å; K64-L66 HydrophobicContact CB-CG 3.7Å; K64-L66 PolarHBondContact O-N 2.99Å; K64-D80 VanDerWaalsContact CD-OD2 3.25Å; K64-D80 WeakPolarHBondContact CD-OD2 3.35Å; K64-D80 IonicContact NZ-OD2 2.78Å; K64-D80 PolarHBondContact NZ-OD2 3.28Å
65Q97.6Very high97.2Very high132 Ų13273.7 Ų73.762%0.61736%0.357SS*.THydrogen-bonded Turntrans52.242.6-176.9-55.6-177.420.100112.5I61 M62 V63 Y67I61-Q65 WeakPolarHBondContact O-CA 3.39Å; I61-Q65 PolarHBondContact O-N 3.3Å; M62-Q65 PolarHBondContact O-N 2.62Å; M62-Q65 VanDerWaalsContact O-N 3.08Å; V63-Q65 VanDerWaalsContact C-N 3.3Å; Q65-Y67 HydrophobicContact CB-CE1 4.39Å; Q65-Y67 PolarHBondContact O-N 2.78Å
66L97.9Very high97.3Very high24 Ų2474 Ų7413%0.12636%0.355CS..  trans-76.6-2.8-179.9-59.7178.5000112.7Y60 I61 K64 V75 Y76 C77 D80 L82Y60-L66 HydrophobicContact CD1-CD1 4.26Å; Y60-L66 HydrophobicContact CE1-CD1 3.95Å; I61-L66 HydrophobicContact CG2-CB 4.26Å; I61-L66 PolarHBondContact O-N 3.48Å; K64-L66 HydrophobicContact CB-CD1 4.17Å; K64-L66 HydrophobicContact CB-CD2 4.05Å; K64-L66 HydrophobicContact CB-CG 3.7Å; K64-L66 PolarHBondContact O-N 2.99Å; L66-V75 HydrophobicContact CB-CG1 3.92Å; L66-V75 CarbonylContact O-C 3.46Å; L66-V75 VanDerWaalsContact O-CA 3.28Å; L66-V75 WeakPolarHBondContact O-CA 3.42Å; L66-Y76 PolarHBondContact O-N 3.32Å; L66-C77 HydrophobicContact CD1-CB 4.36Å; L66-D80 HydrophobicContact CD1-CB 4.46Å; L66-D80 HydrophobicContact CD2-CB 4.44Å; L66-L82 HydrophobicContact CD1-CD2 4.08Å
67Y97.9Very high97.2Very high73 Ų7371.5 Ų71.529%0.28635%0.345SS..BIsolated β-bridgetrans-88.9151.317963.4-88.4000111.4Q65 Q72 M74Q65-Y67 HydrophobicContact CB-CE1 4.39Å; Q65-Y67 PolarHBondContact O-N 2.78Å; Y67-Q72 HydrophobicContact CD2-CG 4.27Å; Y67-M74 CarbonylContact C-O 3.57Å; Y67-M74 VanDerWaalsContact CA-O 3.32Å; Y67-M74 WeakPolarHBondContact CA-O 3.43Å
68D98.1Very high97.2Very high45 Ų4573.6 Ų73.624%0.24137%0.368CS..  trans-73.6137172-167.2-89.3000111.6Q70 E71 Q72 M74 Y76D68-Q70 VanDerWaalsContact C-N 3.35Å; D68-Q70 PolarHBondContact O-N 2.76Å; D68-Q70 WeakPolarHBondContact OD1-CA 3.45Å; D68-Q70 WeakPolarHBondContact OD1-CB 3.46Å; D68-Q70 PolarHBondContact OD1-N 3.06Å; D68-E71 HydrophobicContact CB-CB 4.21Å; D68-E71 CarbonylContact O-C 3.48Å; D68-E71 PolarHBondContact OD1-N 2.94Å; D68-Q72 WeakPolarHBondContact O-CA 3.4Å; D68-Q72 WeakPolarHBondContact O-CG 3.48Å; D68-Q72 PolarHBondContact O-N 2.83Å; D68-Q72 VanDerWaalsContact O-N 3.16Å; D68-M74 HydrophobicContact CB-CB 4.16Å; D68-M74 PolarHBondContact N-O 3.3Å; D68-Y76 HydrophobicContact CB-CD2 4.31Å; D68-Y76 HydrophobicContact CB-CE2 3.82Å
69Q95.3Very high97.1Very high153 Ų15376.3 Ų76.372%0.71540%0.396SS*.SBendtrans-71.5-29-178.1-68.3-173.4-17.300113.5
70Q96.7Very high97.1Very high185 Ų18573.6 Ų73.686%0.86438%0.384SS*.SBendtrans-91.8-42.5179.9-57.9-175.33.200110.4D68D68-Q70 VanDerWaalsContact C-N 3.35Å; D68-Q70 PolarHBondContact O-N 2.76Å; D68-Q70 WeakPolarHBondContact OD1-CA 3.45Å; D68-Q70 WeakPolarHBondContact OD1-CB 3.46Å; D68-Q70 PolarHBondContact OD1-N 3.06Å
71E96.8Very high97Very high103 Ų10375.6 Ų75.648%0.48140%0.395SS..SBendtrans-111.464.4179.5-65.4-163.1153.100110.8D68 H73 M74D68-E71 HydrophobicContact CB-CB 4.21Å; D68-E71 CarbonylContact O-C 3.48Å; D68-E71 PolarHBondContact OD1-N 2.94Å; E71-H73 CarbonylContact O-C 3.59Å; E71-H73 PolarHBondContact O-N 2.83Å; E71-H73 PolarHBondContact O-ND1 3.07Å; E71-H73 IonicContact OE2-CE1 2.76Å; E71-M74 HydrophobicContact CB-CB 4.35Å; E71-M74 HydrophobicContact CB-CG 4.16Å; E71-M74 WeakPolarHBondContact O-CB 3.42Å; E71-M74 PolarHBondContact O-N 3.04Å
72Q95.3Very high97Very high138 Ų13874.6 Ų74.665%0.64539%0.389SS*.THydrogen-bonded Turntrans-51.5-16.1-173.7-65.3-174-27.200116.8Y67 D68 M74Y67-Q72 HydrophobicContact CD2-CG 4.27Å; D68-Q72 WeakPolarHBondContact O-CA 3.4Å; D68-Q72 WeakPolarHBondContact O-CG 3.48Å; D68-Q72 PolarHBondContact O-N 2.83Å; D68-Q72 VanDerWaalsContact O-N 3.16Å; Q72-M74 VanDerWaalsContact C-N 3.32Å
73H94.8Very high97Very high45 Ų4569.2 Ų69.221%0.20836%0.364CS..THydrogen-bonded Turntrans-76-16.1171.876.8-63.5000114.3E71 S92 V93 K94E71-H73 CarbonylContact O-C 3.59Å; E71-H73 PolarHBondContact O-N 2.83Å; E71-H73 PolarHBondContact O-ND1 3.07Å; E71-H73 IonicContact OE2-CE1 2.76Å; H73-S92 PolarHBondContact CD2-OG 3.47Å; H73-S92 VanDerWaalsContact CD2-OG 3.24Å; H73-S92 CarbonylContact O-C 3.59Å; H73-S92 WeakPolarHBondContact O-CA 3.39Å; H73-V93 HydrophobicContact CB-CG2 3.71Å; H73-V93 WeakPolarHBondContact O-CG2 3.39Å; H73-V93 PolarHBondContact O-N 3.21Å; H73-K94 HydrophobicContact CB-CG 4.23Å; H73-K94 VanDerWaalsContact CD2-CD 3.46Å; H73-K94 WeakPolarHBondContact CD2-CD 3.46Å; H73-K94 VanDerWaalsContact CD2-CE 3.45Å; H73-K94 WeakPolarHBondContact CD2-CE 3.49Å; H73-K94 PolarHBondContact NE2-NZ 3.14Å
74M97.8Very high97Very high34 Ų3470 Ų7017%0.16737%0.365CS..EExtended strand (participates in β ladder)trans-90.8131.5175.6-73.2-61.4-6500109.8Y67 D68 E71 Q72 Y76Y67-M74 CarbonylContact C-O 3.57Å; Y67-M74 VanDerWaalsContact CA-O 3.32Å; Y67-M74 WeakPolarHBondContact CA-O 3.43Å; D68-M74 HydrophobicContact CB-CB 4.16Å; D68-M74 PolarHBondContact N-O 3.3Å; E71-M74 HydrophobicContact CB-CB 4.35Å; E71-M74 HydrophobicContact CB-CG 4.16Å; E71-M74 WeakPolarHBondContact O-CB 3.42Å; E71-M74 PolarHBondContact O-N 3.04Å; Q72-M74 VanDerWaalsContact C-N 3.32Å; M74-Y76 HydrophobicContact CB-CE2 4.28Å; M74-Y76 HydrophobicContact CE-CE1 4.49Å
75V98.1Very high96.9Very high2 Ų266.7 Ų66.71%0.01235%0.352CS..EExtended strand (participates in β ladder)trans-116.8124.2176.1179.30000108.4I61 L66 S90 F91 V93I61-V75 HydrophobicContact CD1-CG1 4.36Å; I61-V75 HydrophobicContact CD1-CG2 4.34Å; I61-V75 HydrophobicContact CG1-CG1 4.29Å; I61-V75 HydrophobicContact CG2-CG1 4.22Å; I61-V75 HydrophobicContact CG2-CG2 4.05Å; L66-V75 HydrophobicContact CB-CG1 3.92Å; L66-V75 CarbonylContact O-C 3.46Å; L66-V75 VanDerWaalsContact O-CA 3.28Å; L66-V75 WeakPolarHBondContact O-CA 3.42Å; V75-S90 CarbonylContact O-C 3.59Å; V75-S90 WeakPolarHBondContact O-CA 3.38Å; V75-S90 WeakPolarHBondContact O-CB 3.48Å; V75-F91 HydrophobicContact CB-CD1 4.06Å; V75-F91 HydrophobicContact CB-CE1 3.65Å; V75-F91 HydrophobicContact CB-CE2 4.3Å; V75-F91 HydrophobicContact CB-CZ 3.78Å; V75-F91 HydrophobicContact CG1-CD1 4.28Å; V75-F91 HydrophobicContact CG1-CE1 3.54Å; V75-F91 HydrophobicContact CG1-CZ 3.86Å; V75-F91 HydrophobicContact CG2-CE1 4.3Å; V75-F91 HydrophobicContact CG2-CE2 4.2Å; V75-F91 HydrophobicContact CG2-CZ 3.91Å; V75-F91 PolarHBondContact N-O 2.83Å; V75-F91 PolarHBondContact O-N 3.4Å; V75-V93 HydrophobicContact CG2-CG1 3.98Å
76Y98.2Very high96.8Very high112 Ų11261.6 Ų61.644%0.43933%0.329SS..EExtended strand (participates in β ladder)trans-105.3110.5174.1-63.4-76.1000109.3L66 D68 M74L66-Y76 PolarHBondContact O-N 3.32Å; D68-Y76 HydrophobicContact CB-CD2 4.31Å; D68-Y76 HydrophobicContact CB-CE2 3.82Å; M74-Y76 HydrophobicContact CB-CE2 4.28Å; M74-Y76 HydrophobicContact CE-CE1 4.49Å
77C97.4Very high96.7Very high1 Ų163.9 Ų63.91%0.00736%0.358CS..  trans-123.113.3-173.753.40000113.1L66 G79 D80 L82 G83 Q89L66-C77 HydrophobicContact CD1-CB 4.36Å; C77-G79 PolarHBondContact O-N 2.92Å; C77-D80 WeakPolarHBondContact O-CB 3.33Å; C77-D80 PolarHBondContact O-N 3.05Å; C77-L82 HydrophobicContact CB-CB 4.31Å; C77-L82 HydrophobicContact CB-CD2 4.45Å; C77-L82 HydrophobicContact CB-CG 4.38Å; C77-G83 WeakPolarHBondContact O-CA 3.41Å; C77-G83 PolarHBondContact O-N 3.23Å; C77-G83 VanDerWaalsContact SG-CA 3.54Å; C77-Q89 PolarHBondContact N-O 2.66Å
78G96.8Very high96.6Very high49 Ų4962.2 Ų62.251%0.50536%0.356SS..THydrogen-bonded Turntrans-58.2127.617300000111.8D80 Q89G78-D80 PolarHBondContact O-N 2.93Å; G78-Q89 PolarHBondContact N-O 3.06Å; G78-Q89 VanDerWaalsContact N-O 3.11Å
79G95.6Very high96.6Very high86 Ų8667.4 Ų67.489%0.88738%0.379SS*.THydrogen-bonded Turntrans76.74.2-175.300000114.6C77C77-G79 PolarHBondContact O-N 2.92Å
80D97.9Very high96.6Very high16 Ų1662.4 Ų62.49%0.08636%0.361CS..SBendtrans-104.3152.1170.2-170.8-93.3000111.2Y60 K64 L66 C77 G78 L82 G83 D84Y60-D80 WeakPolarHBondContact CE1-OD1 3.44Å; Y60-D80 VanDerWaalsContact OH-CG 3.26Å; Y60-D80 PolarHBondContact OH-OD1 3.24Å; Y60-D80 PolarHBondContact OH-OD2 3.01Å; K64-D80 VanDerWaalsContact CD-OD2 3.25Å; K64-D80 WeakPolarHBondContact CD-OD2 3.35Å; K64-D80 IonicContact NZ-OD2 2.78Å; K64-D80 PolarHBondContact NZ-OD2 3.28Å; L66-D80 HydrophobicContact CD1-CB 4.46Å; L66-D80 HydrophobicContact CD2-CB 4.44Å; C77-D80 WeakPolarHBondContact O-CB 3.33Å; C77-D80 PolarHBondContact O-N 3.05Å; G78-D80 PolarHBondContact O-N 2.93Å; D80-L82 PolarHBondContact O-N 3.41Å; D80-L82 VanDerWaalsContact O-N 3.12Å; D80-L82 VanDerWaalsContact OD1-CB 3.3Å; D80-L82 WeakPolarHBondContact OD1-CB 3.48Å; D80-L82 PolarHBondContact OD1-N 2.83Å; D80-G83 WeakPolarHBondContact O-CA 3.12Å; D80-G83 PolarHBondContact O-N 2.99Å; D80-D84 PolarHBondContact O-N 3.04Å; D80-D84 VanDerWaalsContact O-N 3.09Å
81L96.6Very high96.7Very high47 Ų4754.2 Ų54.225%0.24632%0.323CS..Hα-helixtrans-53.7-33.1176-16961.4000113Q33 K36 I37 L85Q33-L81 VanDerWaalsContact OE1-CD1 3.27Å; K36-L81 HydrophobicContact CB-CD2 4.12Å; I37-L81 HydrophobicContact CD1-CB 4.45Å; I37-L81 HydrophobicContact CD1-CD2 4.34Å; I37-L81 HydrophobicContact CD1-CG 4.06Å; I37-L81 HydrophobicContact CG1-CB 4.3Å; I37-L81 HydrophobicContact CG1-CD2 3.62Å; I37-L81 HydrophobicContact CG1-CG 3.87Å; L81-L85 WeakPolarHBondContact O-CB 3.36Å; L81-L85 PolarHBondContact O-N 3.45Å
82L97.6Very high96.6Very high0 Ų050.6 Ų50.60%031%0.309CS..Hα-helixtrans-64.8-41.1175.2-17961000111.7I37 L57 Y60 I61 L66 C77 D80 L85 L86 F91I37-L82 HydrophobicContact CD1-CB 4.35Å; I37-L82 HydrophobicContact CD1-CD1 4.32Å; L57-L82 HydrophobicContact CD2-CD1 4.07Å; Y60-L82 HydrophobicContact CD1-CB 4.43Å; Y60-L82 HydrophobicContact CD1-CD2 4.25Å; Y60-L82 HydrophobicContact CE1-CB 3.88Å; Y60-L82 HydrophobicContact CE1-CD2 4.43Å; I61-L82 HydrophobicContact CD1-CD2 4.06Å; I61-L82 HydrophobicContact CG1-CD2 3.65Å; L66-L82 HydrophobicContact CD1-CD2 4.08Å; C77-L82 HydrophobicContact CB-CB 4.31Å; C77-L82 HydrophobicContact CB-CD2 4.45Å; C77-L82 HydrophobicContact CB-CG 4.38Å; D80-L82 PolarHBondContact O-N 3.41Å; D80-L82 VanDerWaalsContact O-N 3.12Å; D80-L82 VanDerWaalsContact OD1-CB 3.3Å; D80-L82 WeakPolarHBondContact OD1-CB 3.48Å; D80-L82 PolarHBondContact OD1-N 2.83Å; L82-L85 PolarHBondContact O-N 3.47Å; L82-L86 HydrophobicContact CD1-CD1 3.91Å; L82-L86 HydrophobicContact CD1-CG 4.23Å; L82-L86 HydrophobicContact CG-CD1 3.76Å; L82-L86 HydrophobicContact CG-CG 4.49Å; L82-L86 WeakPolarHBondContact O-CB 3.36Å; L82-L86 WeakPolarHBondContact O-CD1 3.37Å; L82-L86 WeakPolarHBondContact O-CG 3.31Å; L82-L86 PolarHBondContact O-N 2.73Å; L82-F91 HydrophobicContact CD2-CE1 4.47Å
83G97.1Very high96.5Very high5 Ų547.7 Ų47.75%0.05230%0.3CS..Hα-helixtrans-68-40.317700000112.3C77 D80 L85 L86 G87 C88C77-G83 WeakPolarHBondContact O-CA 3.41Å; C77-G83 PolarHBondContact O-N 3.23Å; C77-G83 VanDerWaalsContact SG-CA 3.54Å; D80-G83 WeakPolarHBondContact O-CA 3.12Å; D80-G83 PolarHBondContact O-N 2.99Å; G83-L85 VanDerWaalsContact C-N 3.28Å; G83-L85 PolarHBondContact O-N 3.02Å; G83-L86 PolarHBondContact O-N 3.17Å; G83-G87 WeakPolarHBondContact O-CA 3.46Å; G83-G87 PolarHBondContact O-N 3.04Å; G83-C88 WeakPolarHBondContact CA-O 3.38Å; G83-C88 PolarHBondContact O-N 3.13Å
84D96.1Very high96.5Very high121 Ų12153 Ų5365%0.64732%0.323SS*.Hα-helixtrans-60.1-40.2173.7-68.1-22000111.5D80D80-D84 PolarHBondContact O-N 3.04Å; D80-D84 VanDerWaalsContact O-N 3.09Å
85L96.1Very high96.3Very high30 Ų3055.7 Ų55.716%0.15734%0.338CS..Hα-helixtrans-73.7-36.7-179.7-164.366.2000112.9Q33 L34 I37 L81 L82 G83 M102 N106Q33-L85 HydrophobicContact CB-CD1 3.8Å; L34-L85 HydrophobicContact CB-CD2 3.9Å; L34-L85 HydrophobicContact CD1-CD2 3.94Å; L34-L85 HydrophobicContact CG-CD2 4.47Å; I37-L85 HydrophobicContact CD1-CB 4.4Å; I37-L85 HydrophobicContact CD1-CD2 3.73Å; L81-L85 WeakPolarHBondContact O-CB 3.36Å; L81-L85 PolarHBondContact O-N 3.45Å; L82-L85 PolarHBondContact O-N 3.47Å; G83-L85 VanDerWaalsContact C-N 3.28Å; G83-L85 PolarHBondContact O-N 3.02Å; L85-M102 HydrophobicContact CB-CG 4.37Å; L85-M102 HydrophobicContact CD2-CE 4.3Å; L85-M102 HydrophobicContact CD2-CG 3.97Å; L85-M102 HydrophobicContact CD2-SD 3.46Å; L85-M102 WeakPolarHBondContact CD2-SD 3.5Å; L85-M102 HydrophobicContact CG-CG 3.67Å; L85-M102 HydrophobicContact CG-SD 3.86Å; L85-M102 WeakPolarHBondContact O-CG 3.33Å; L85-N106 WeakPolarHBondContact CD1-OD1 3.21Å
86L95.4Very high95.7Very high25 Ų2557.4 Ų57.413%0.13135%0.349CS..Hα-helixtrans-75.7-29175.7-71.1164.8000112.1L82 G83 C88 F91 P98 L99 M102L82-L86 HydrophobicContact CD1-CD1 3.91Å; L82-L86 HydrophobicContact CD1-CG 4.23Å; L82-L86 HydrophobicContact CG-CD1 3.76Å; L82-L86 HydrophobicContact CG-CG 4.49Å; L82-L86 WeakPolarHBondContact O-CB 3.36Å; L82-L86 WeakPolarHBondContact O-CD1 3.37Å; L82-L86 WeakPolarHBondContact O-CG 3.31Å; L82-L86 PolarHBondContact O-N 2.73Å; G83-L86 PolarHBondContact O-N 3.17Å; L86-C88 VanDerWaalsContact C-N 3.34Å; L86-F91 HydrophobicContact CD1-CD1 3.58Å; L86-F91 HydrophobicContact CD1-CE1 3.39Å; L86-F91 HydrophobicContact CD1-CZ 4.28Å; L86-P98 HydrophobicContact CD2-CB 4.36Å; L86-P98 WeakPolarHBondContact CD2-O 3.35Å; L86-L99 HydrophobicContact CD2-CD1 4.39Å; L86-M102 HydrophobicContact CD2-CB 3.7Å; L86-M102 HydrophobicContact CD2-CE 4.46Å; L86-M102 HydrophobicContact CD2-CG 4.09Å; L86-M102 HydrophobicContact CG-CG 4.5Å
87G95.2Very high95.5Very high71 Ų7154.8 Ų54.873%0.73235%0.347SS*.THydrogen-bonded Turntrans7424-17200000113.4G83G83-G87 WeakPolarHBondContact O-CA 3.46Å; G83-G87 PolarHBondContact O-N 3.04Å
88C95.5Very high95.3Very high39 Ų3956.7 Ų56.726%0.26436%0.359SS..SBendtrans-138.5158.3177.771.20000111.7G83 L86 S90G83-C88 WeakPolarHBondContact CA-O 3.38Å; G83-C88 PolarHBondContact O-N 3.13Å; L86-C88 VanDerWaalsContact C-N 3.34Å; C88-S90 PolarHBondContact SG-O 3.21Å; C88-S90 VanDerWaalsContact SG-O 3.37Å
89Q97.3Very high95.1Very high153 Ų15355.2 Ų55.272%0.71534%0.34SS*.SBendtrans-83.9-24.5176.3-64.9-168.377.700112.6C77 G78C77-Q89 PolarHBondContact N-O 2.66Å; G78-Q89 PolarHBondContact N-O 3.06Å; G78-Q89 VanDerWaalsContact N-O 3.11Å
90S97.2Very high94.9Very high49 Ų4953.7 Ų53.734%0.34331%0.308SS..EExtended strand (participates in β ladder)trans-157.3157.1179.759.30000111.6V75 C88V75-S90 CarbonylContact O-C 3.59Å; V75-S90 WeakPolarHBondContact O-CA 3.38Å; V75-S90 WeakPolarHBondContact O-CB 3.48Å; C88-S90 PolarHBondContact SG-O 3.21Å; C88-S90 VanDerWaalsContact SG-O 3.37Å
91F96.8Very high94.7Very high13 Ų1356.3 Ų56.36%0.05732%0.322CS..EExtended strand (participates in β ladder)trans-149.4163.4170.568.1-82.3000110.8I61 V75 L82 L86 V93 P98I61-F91 HydrophobicContact CD1-CZ 4.05Å; V75-F91 HydrophobicContact CB-CD1 4.06Å; V75-F91 HydrophobicContact CB-CE1 3.65Å; V75-F91 HydrophobicContact CB-CE2 4.3Å; V75-F91 HydrophobicContact CB-CZ 3.78Å; V75-F91 HydrophobicContact CG1-CD1 4.28Å; V75-F91 HydrophobicContact CG1-CE1 3.54Å; V75-F91 HydrophobicContact CG1-CZ 3.86Å; V75-F91 HydrophobicContact CG2-CE1 4.3Å; V75-F91 HydrophobicContact CG2-CE2 4.2Å; V75-F91 HydrophobicContact CG2-CZ 3.91Å; V75-F91 PolarHBondContact N-O 2.83Å; V75-F91 PolarHBondContact O-N 3.4Å; L82-F91 HydrophobicContact CD2-CE1 4.47Å; L86-F91 HydrophobicContact CD1-CD1 3.58Å; L86-F91 HydrophobicContact CD1-CE1 3.39Å; L86-F91 HydrophobicContact CD1-CZ 4.28Å; F91-V93 HydrophobicContact CE2-CG1 4.33Å; F91-P98 HydrophobicContact CB-CB 4.38Å; F91-P98 HydrophobicContact CB-CG 4.15Å
92S96.4Very high94.7Very high27 Ų2754.2 Ų54.219%0.18931%0.311CS..EExtended strand (participates in β ladder)trans-102.4130.8176.1179.60000109.8H73 K94 D95H73-S92 PolarHBondContact CD2-OG 3.47Å; H73-S92 VanDerWaalsContact CD2-OG 3.24Å; H73-S92 CarbonylContact O-C 3.59Å; H73-S92 WeakPolarHBondContact O-CA 3.39Å; S92-K94 PolarHBondContact O-N 3.44Å; S92-K94 PolarHBondContact OG-N 2.76Å; S92-D95 CarbonylContact O-C 3.53Å; S92-D95 PolarHBondContact O-N 3.01Å
93V93.5Very high94.6Very high76 Ų7654.4 Ų54.446%0.46131%0.312SS..THydrogen-bonded Turntrans-66.4-15.6172.8-51.80000112.4H73 V75 F91 D95H73-V93 HydrophobicContact CB-CG2 3.71Å; H73-V93 WeakPolarHBondContact O-CG2 3.39Å; H73-V93 PolarHBondContact O-N 3.21Å; V75-V93 HydrophobicContact CG2-CG1 3.98Å; F91-V93 HydrophobicContact CE2-CG1 4.33Å; V93-D95 VanDerWaalsContact C-N 3.3Å
94K93.6Very high94.4Very high158 Ų15863 Ų6369%0.68734%0.342SS*.THydrogen-bonded Turntrans-73.7-24.6170.8-64.9179.8-174.6159.70112.2H73 S92 P96H73-K94 HydrophobicContact CB-CG 4.23Å; H73-K94 VanDerWaalsContact CD2-CD 3.46Å; H73-K94 WeakPolarHBondContact CD2-CD 3.46Å; H73-K94 VanDerWaalsContact CD2-CE 3.45Å; H73-K94 WeakPolarHBondContact CD2-CE 3.49Å; H73-K94 PolarHBondContact NE2-NZ 3.14Å; S92-K94 PolarHBondContact O-N 3.44Å; S92-K94 PolarHBondContact OG-N 2.76Å; K94-P96 WeakPolarHBondContact O-CD 3.49Å
95D92.8Very high94.3Very high90 Ų9064 Ų6448%0.48134%0.341SS..SBendtrans-120.380.8171.3-179.515.1000109.8S92 V93 S97 P98S92-D95 CarbonylContact O-C 3.53Å; S92-D95 PolarHBondContact O-N 3.01Å; V93-D95 VanDerWaalsContact C-N 3.3Å; D95-S97 PolarHBondContact O-N 2.76Å; D95-S97 WeakPolarHBondContact OD1-CB 3.44Å; D95-S97 PolarHBondContact OD1-N 3.44Å; D95-S97 PolarHBondContact OD1-OG 3.12Å; D95-P98 VanDerWaalsContact O-CD 3.24Å; D95-P98 WeakPolarHBondContact O-CD 3.36Å
96P86.6Confident94.3Very high37 Ų3763.5 Ų63.524%0.2434%0.339CS..  trans-74.98.9-175.132.9-38.4000113.6K94 P98 L99 Y100K94-P96 WeakPolarHBondContact O-CD 3.49Å; P96-P98 VanDerWaalsContact C-CD 3.47Å; P96-L99 WeakPolarHBondContact O-CA 3.29Å; P96-L99 VanDerWaalsContact O-CB 3.28Å; P96-L99 WeakPolarHBondContact O-CB 3.28Å; P96-L99 PolarHBondContact O-N 3.06Å; P96-Y100 HydrophobicContact CB-CD2 4.07Å; P96-Y100 HydrophobicContact CB-CE2 3.77Å; P96-Y100 HydrophobicContact CG-CD2 4.08Å; P96-Y100 HydrophobicContact CG-CE2 3.55Å; P96-Y100 WeakPolarHBondContact O-CD2 3.5Å; P96-Y100 PolarHBondContact O-N 3.33Å
97S92.9Very high94.3Very high58 Ų5863.6 Ų63.641%0.40634%0.339SS..Hα-helixtrans-52.6-45.5-178.3-53.90000113.3D95 L99 Y100 D101D95-S97 PolarHBondContact O-N 2.76Å; D95-S97 WeakPolarHBondContact OD1-CB 3.44Å; D95-S97 PolarHBondContact OD1-N 3.44Å; D95-S97 PolarHBondContact OD1-OG 3.12Å; S97-L99 VanDerWaalsContact C-N 3.26Å; S97-L99 PolarHBondContact O-N 3.21Å; S97-Y100 PolarHBondContact O-N 3.4Å; S97-D101 PolarHBondContact O-N 3.43Å
98P93.4Very high94.2Very high40 Ų4064 Ų6426%0.2633%0.327SS..Hα-helixtrans-59.4-37176.6-24.135.8000113L86 F91 D95 P96 M102L86-P98 HydrophobicContact CD2-CB 4.36Å; L86-P98 WeakPolarHBondContact CD2-O 3.35Å; F91-P98 HydrophobicContact CB-CB 4.38Å; F91-P98 HydrophobicContact CB-CG 4.15Å; D95-P98 VanDerWaalsContact O-CD 3.24Å; D95-P98 WeakPolarHBondContact O-CD 3.36Å; P96-P98 VanDerWaalsContact C-CD 3.47Å; P98-M102 WeakPolarHBondContact O-CB 3.49Å; P98-M102 PolarHBondContact O-N 2.93Å
99L93.1Very high93.8Very high18 Ų1866.3 Ų66.39%0.09434%0.34CS..Hα-helixtrans-66.4-49.2178.1-169.771.8000110.7M54 L57 L86 P96 S97 D101 M102 L103M54-L99 HydrophobicContact CE-CD2 3.67Å; M54-L99 HydrophobicContact SD-CD2 3.89Å; L57-L99 HydrophobicContact CD1-CD1 4.09Å; L86-L99 HydrophobicContact CD2-CD1 4.39Å; P96-L99 WeakPolarHBondContact O-CA 3.29Å; P96-L99 VanDerWaalsContact O-CB 3.28Å; P96-L99 WeakPolarHBondContact O-CB 3.28Å; P96-L99 PolarHBondContact O-N 3.06Å; S97-L99 VanDerWaalsContact C-N 3.26Å; S97-L99 PolarHBondContact O-N 3.21Å; L99-D101 VanDerWaalsContact C-N 3.32Å; L99-D101 PolarHBondContact O-N 3.26Å; L99-M102 HydrophobicContact CD1-CE 3.9Å; L99-M102 WeakPolarHBondContact O-CB 3.24Å; L99-M102 PolarHBondContact O-N 3.35Å; L99-L103 HydrophobicContact CG-CD1 4.44Å; L99-L103 VanDerWaalsContact O-CG 3.29Å; L99-L103 WeakPolarHBondContact O-CG 3.24Å; L99-L103 PolarHBondContact O-N 3.28Å
100Y92.4Very high92.5Very high54 Ų5464.4 Ų64.421%0.21234%0.344CS..Hα-helixtrans-63.5-37.9179.5-70.8-53.9000112.7I19 M54 P96 S97 L103 R104I19-Y100 HydrophobicContact CD1-CE1 4.2Å; M54-Y100 HydrophobicContact CE-CE1 4.49Å; P96-Y100 HydrophobicContact CB-CD2 4.07Å; P96-Y100 HydrophobicContact CB-CE2 3.77Å; P96-Y100 HydrophobicContact CG-CD2 4.08Å; P96-Y100 HydrophobicContact CG-CE2 3.55Å; P96-Y100 WeakPolarHBondContact O-CD2 3.5Å; P96-Y100 PolarHBondContact O-N 3.33Å; S97-Y100 PolarHBondContact O-N 3.4Å; Y100-L103 HydrophobicContact CD1-CD1 4.28Å; Y100-L103 PolarHBondContact O-N 3.11Å; Y100-R104 VanDerWaalsContact O-CG 3.29Å; Y100-R104 WeakPolarHBondContact O-CG 3.47Å; Y100-R104 PolarHBondContact O-N 3.39Å
101D94.1Very high92.3Very high71 Ų7165.2 Ų65.238%0.3834%0.344SS..Hα-helixtrans-66-38.9175.5-74.7-15.9000112.4S97 L99 R104 K105S97-D101 PolarHBondContact O-N 3.43Å; L99-D101 VanDerWaalsContact C-N 3.32Å; L99-D101 PolarHBondContact O-N 3.26Å; D101-R104 IonicContact OD1-CZ 2.69Å; D101-R104 IonicContact OD1-NH1 3.43Å; D101-R104 PolarHBondContact OD1-NH1 3.38Å; D101-K105 VanDerWaalsContact O-CG 3.31Å; D101-K105 WeakPolarHBondContact O-CG 3.39Å; D101-K105 PolarHBondContact O-N 2.9Å
102M95.8Very high92.1Very high4 Ų467.9 Ų67.92%0.0236%0.359CS..Hα-helixtrans-63-45172.6178.9-76.6-71.200111.3L34 L57 L85 L86 P98 L99 R104 K105 N106L34-M102 HydrophobicContact CD1-CE 4.22Å; L34-M102 HydrophobicContact CD1-SD 4.2Å; L34-M102 HydrophobicContact CD2-SD 4.34Å; L57-M102 HydrophobicContact CD1-CE 4.02Å; L57-M102 HydrophobicContact CD2-CE 4.42Å; L85-M102 HydrophobicContact CB-CG 4.37Å; L85-M102 HydrophobicContact CD2-CE 4.3Å; L85-M102 HydrophobicContact CD2-CG 3.97Å; L85-M102 HydrophobicContact CD2-SD 3.46Å; L85-M102 WeakPolarHBondContact CD2-SD 3.5Å; L85-M102 HydrophobicContact CG-CG 3.67Å; L85-M102 HydrophobicContact CG-SD 3.86Å; L85-M102 WeakPolarHBondContact O-CG 3.33Å; L86-M102 HydrophobicContact CD2-CB 3.7Å; L86-M102 HydrophobicContact CD2-CE 4.46Å; L86-M102 HydrophobicContact CD2-CG 4.09Å; L86-M102 HydrophobicContact CG-CG 4.5Å; P98-M102 WeakPolarHBondContact O-CB 3.49Å; P98-M102 PolarHBondContact O-N 2.93Å; L99-M102 HydrophobicContact CD1-CE 3.9Å; L99-M102 WeakPolarHBondContact O-CB 3.24Å; L99-M102 PolarHBondContact O-N 3.35Å; M102-R104 PolarHBondContact O-N 3.1Å; M102-K105 PolarHBondContact O-N 3.07Å; M102-K105 VanDerWaalsContact O-N 3.14Å; M102-N106 WeakPolarHBondContact O-CB 3.29Å; M102-N106 PolarHBondContact O-N 2.69Å; M102-N106 PolarHBondContact O-ND2 3.17Å; M102-N106 HydrophobicContact SD-CB 4.14Å
103L94.6Very high91.8Very high4 Ų470.2 Ų70.22%0.02137%0.369CS..Hα-helixtrans-61-45.8179.4-69.6175.4000111.9L34 M50 V53 M54 L57 L99 Y100 K105 N106 L107L34-L103 HydrophobicContact CD2-CD2 4.11Å; M50-L103 HydrophobicContact CE-CD1 3.98Å; V53-L103 HydrophobicContact CG1-CD2 3.51Å; M54-L103 HydrophobicContact SD-CD1 3.61Å; L57-L103 HydrophobicContact CD1-CD2 3.84Å; L99-L103 HydrophobicContact CG-CD1 4.44Å; L99-L103 VanDerWaalsContact O-CG 3.29Å; L99-L103 WeakPolarHBondContact O-CG 3.24Å; L99-L103 PolarHBondContact O-N 3.28Å; Y100-L103 HydrophobicContact CD1-CD1 4.28Å; Y100-L103 PolarHBondContact O-N 3.11Å; L103-K105 PolarHBondContact O-N 3.15Å; L103-N106 PolarHBondContact O-N 2.83Å; L103-L107 HydrophobicContact CB-CD1 4.1Å; L103-L107 HydrophobicContact CD2-CD1 4.07Å; L103-L107 HydrophobicContact CD2-CG 4.47Å; L103-L107 WeakPolarHBondContact O-CB 3.31Å; L103-L107 WeakPolarHBondContact O-CG 3.39Å; L103-L107 PolarHBondContact O-N 3.02Å
104R92.6Very high91.7Very high184 Ų18469.9 Ų69.969%0.69436%0.363SS*.Hα-helixtrans-57-33.7176.1-71.1168.1-175147.4-1.6112.7Y100 D101 M102Y100-R104 VanDerWaalsContact O-CG 3.29Å; Y100-R104 WeakPolarHBondContact O-CG 3.47Å; Y100-R104 PolarHBondContact O-N 3.39Å; D101-R104 IonicContact OD1-CZ 2.69Å; D101-R104 IonicContact OD1-NH1 3.43Å; D101-R104 PolarHBondContact OD1-NH1 3.38Å; M102-R104 PolarHBondContact O-N 3.1Å
105K94.1Very high91.6Very high144 Ų14464.4 Ų64.463%0.62634%0.343SS*.Hα-helixtrans-82.5-22.3179.2-67.4169.6-172.2171.90113.2K31 D101 M102 L103K31-K105 WeakPolarHBondContact CE-O 3.4Å; K31-K105 PolarHBondContact NZ-O 3.48Å; D101-K105 VanDerWaalsContact O-CG 3.31Å; D101-K105 WeakPolarHBondContact O-CG 3.39Å; D101-K105 PolarHBondContact O-N 2.9Å; M102-K105 PolarHBondContact O-N 3.07Å; M102-K105 VanDerWaalsContact O-N 3.14Å; L103-K105 PolarHBondContact O-N 3.15Å
106N96.3Very high91.5Very high19 Ų1962.7 Ų62.710%0.10233%0.334CS..Hα-helixtrans-116.1-2.5-168.2-71.9-69.9000115.2P30 K31 L34 L85 M102 L103P30-N106 CarbonylContact C-O 3.5Å; P30-N106 WeakPolarHBondContact CA-O 3.41Å; K31-N106 PolarHBondContact N-O 3.05Å; L34-N106 HydrophobicContact CB-CB 4.09Å; L34-N106 HydrophobicContact CD2-CB 3.82Å; L85-N106 WeakPolarHBondContact CD1-OD1 3.21Å; M102-N106 WeakPolarHBondContact O-CB 3.29Å; M102-N106 PolarHBondContact O-N 2.69Å; M102-N106 PolarHBondContact O-ND2 3.17Å; M102-N106 HydrophobicContact SD-CB 4.14Å; L103-N106 PolarHBondContact O-N 2.83Å
107L95.3Very high91.9Very high27 Ų2764.5 Ų64.514%0.14134%0.34CS..EExtended strand (participates in β ladder)trans-111.1141.4175.2-62.9177.9000111V28 P30 L34 M50 V53 L103V28-L107 HydrophobicContact CB-CB 4.28Å; V28-L107 HydrophobicContact CB-CD1 4.4Å; V28-L107 HydrophobicContact CB-CD2 4.2Å; V28-L107 HydrophobicContact CG1-CB 4.47Å; V28-L107 HydrophobicContact CG1-CD1 4.46Å; V28-L107 HydrophobicContact CG2-CD1 4.13Å; V28-L107 HydrophobicContact CG2-CD2 3.95Å; P30-L107 HydrophobicContact CB-CD2 3.99Å; P30-L107 HydrophobicContact CG-CD2 3.81Å; L34-L107 HydrophobicContact CD2-CD2 3.67Å; L34-L107 HydrophobicContact CD2-CG 4.18Å; M50-L107 HydrophobicContact CE-CD1 3.87Å; M50-L107 HydrophobicContact SD-CD1 3.36Å; M50-L107 WeakPolarHBondContact SD-CD1 3.5Å; V53-L107 HydrophobicContact CG2-CD2 4.23Å; L103-L107 HydrophobicContact CB-CD1 4.1Å; L103-L107 HydrophobicContact CD2-CD1 4.07Å; L103-L107 HydrophobicContact CD2-CG 4.47Å; L103-L107 WeakPolarHBondContact O-CB 3.31Å; L103-L107 WeakPolarHBondContact O-CG 3.39Å; L103-L107 PolarHBondContact O-N 3.02Å
108V93.9Very high91.8Very high79 Ų7965 Ų6548%0.47934%0.335SS..EExtended strand (participates in β ladder)trans-117127.9170.7-175.90000108V28 R29 S110V28-V108 CarbonylContact C-O 3.57Å; V28-V108 WeakPolarHBondContact CA-O 3.44Å; R29-V108 PolarHBondContact N-O 3.42Å; R29-V108 PolarHBondContact O-N 3.47Å; V108-S110 PolarHBondContact O-N 3.12Å
109T87.6Confident91.7Very high87 Ų8767.1 Ų67.153%0.53434%0.342SS..EExtended strand (participates in β ladder)trans-63.6131.3174-52.50000109.7Q26Q26-T109 HydrophobicContact CG-CG2 4.06Å
110S70.3Confident91.5Very high114 Ų11471.5 Ų71.580%0.79736%0.364SS*.  trans-97.60177.5-55.70000112Q27 V108Q27-S110 PolarHBondContact O-N 3.2Å; Q27-S110 VanDerWaalsContact O-N 3.12Å; V108-S110 PolarHBondContact O-N 3.12Å

Retrieved 110 of 110 residues in 382.5 ms (Link to these results)