X5DQL7_HUMAN Loading...

Septin 5 isoform B

AlphaFold DB , UniProt , Accession X5DQL7, Species HUMAN (Homo sapiens, Human), Gene SEPT5, Length 124 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M39.6Very low43.9Very low246 Ų246169.9 Ų169.9100%1.21287%0.873SS**  0139.20-70.9-173.3-176.900108.5
2S43.1Very low44.6Very low108 Ų108162.3 Ų162.376%0.75586%0.855SS**  trans-47.6158.4178.354.10000113.8
3T39.5Very low45Very low132 Ų132155.7 Ų155.781%0.8183%0.825SS**  -167.5138.452.542.30000107.2
4G40.6Very low45.9Very low73 Ų73152.3 Ų152.375%0.75382%0.816SS**  109.6101.85400000108.3
5L41.8Very low46.3Very low167 Ų167152.4 Ų152.487%0.87481%0.81SS**  trans-59.8137.5-169.6-8274.2000114Y7L5-Y7 PolarHBondContact O-N 3.16Å
6R42.2Very low46.7Very low243 Ų243148.3 Ų148.392%0.91779%0.788SS**  trans-72.2102.3171-168.5176.8-172.4171.22.6109.9K8R6-K8 PolarHBondContact O-N 3.39Å
7Y39.4Very low47Very low227 Ų227148.3 Ų148.389%0.8978%0.78SS**  trans-66.8117.3174.6-114.8-97.6000110.4L5L5-Y7 PolarHBondContact O-N 3.16Å
8K43.8Very low47.3Very low186 Ų186147.9 Ų147.981%0.80977%0.773SS**  trans-87.1119.3164.4-79-169.5166.6-175.10108.4R6 K10R6-K8 PolarHBondContact O-N 3.39Å; K8-K10 PolarHBondContact O-N 3.31Å
9S47.8Very low47.6Very low119 Ų119145.1 Ų145.183%0.83276%0.759SS**  trans-70.6106.9168.942.40000109.5
10K49.8Very low47.9Very low197 Ų197143.4 Ų143.486%0.85775%0.749SS**PPolyproline II helixtrans-75.4127.3164.8-69.4-173.4178-177.30107.9K8 A12K8-K10 PolarHBondContact O-N 3.31Å; K10-A12 PolarHBondContact O-N 3.06Å
11L55.4Low48.2Very low171 Ų171142.5 Ų142.590%0.89575%0.745SS**PPolyproline II helixtrans-66.8119.4169.5-78.7150.6000107.9T13L11-T13 PolarHBondContact O-N 3.28Å
12A51.8Low49Very low79 Ų79137.7 Ų137.765%0.65372%0.718SS**PPolyproline II helixtrans-61.7128-17900000110.7K10K10-A12 PolarHBondContact O-N 3.06Å
13T50.6Low49.4Very low76 Ų76140.8 Ų140.847%0.46672%0.72SS.*PPolyproline II helixtrans-78.6155.7173.5470000109.7L11 E15 D16L11-T13 PolarHBondContact O-N 3.28Å; T13-E15 PolarHBondContact O-N 3.24Å; T13-D16 PolarHBondContact O-N 3.49Å; T13-D16 PolarHBondContact OG1-OD2 3.13Å
14P57Low50.4Low108 Ų108141.8 Ų141.870%0.70171%0.71SS**THydrogen-bonded Turntrans-60.7-15.6-179.320.1-30.5000114.6
15E52.6Low51.3Low154 Ų154144.5 Ų144.572%0.7271%0.712SS**THydrogen-bonded Turntrans-68.8-35.9173.4-59.8-94.8140.400111.8T13 K17 Q18T13-E15 PolarHBondContact O-N 3.24Å; E15-K17 PolarHBondContact O-N 3.15Å; E15-Q18 PolarHBondContact O-N 3.36Å
16D51.4Low52.6Low87 Ų87138.6 Ų138.647%0.46569%0.691SS.*THydrogen-bonded Turntrans-69.7-16.7-178.5-68.7-32.9000112.9T13 Q18 I20T13-D16 PolarHBondContact O-N 3.49Å; T13-D16 PolarHBondContact OG1-OD2 3.13Å; D16-Q18 VanDerWaalsContact C-N 3.3Å; D16-Q18 PolarHBondContact O-N 3.09Å; D16-I20 WeakPolarHBondContact O-CG1 3.4Å
17K52.7Low53.8Low148 Ų148135.9 Ų135.964%0.64369%0.686SS**Hα-helixtrans-71.6-23.9178.8-71.4-175.2176.7-177.70113E15E15-K17 PolarHBondContact O-N 3.15Å
18Q52.3Low55.6Low142 Ų142127.5 Ų127.566%0.66467%0.665SS**Hα-helixtrans-77-23.2-177.5-70.9-171.73.100113.7E15 D16E15-Q18 PolarHBondContact O-N 3.36Å; D16-Q18 VanDerWaalsContact C-N 3.3Å; D16-Q18 PolarHBondContact O-N 3.09Å
19D52Low57Low93 Ų93119.8 Ų119.850%0.49763%0.633SS.*Hα-helixtrans-91.3-21.4-179.2-77.3-29.9000113.2D21 K22 Q23D19-D21 VanDerWaalsContact C-N 3.3Å; D19-D21 PolarHBondContact O-N 3.34Å; D19-K22 PolarHBondContact O-N 3.11Å; D19-K22 IonicContact OD1-NZ 2.98Å; D19-K22 PolarHBondContact OD1-NZ 3.32Å; D19-Q23 PolarHBondContact O-N 3.22Å
20I53.7Low58.5Low112 Ų112117.7 Ų117.757%0.57461%0.612SS**Hα-helixtrans-65.8-37172.7-56.2168.6000110.5D16 K22 Q23 Y24D16-I20 WeakPolarHBondContact O-CG1 3.4Å; I20-K22 VanDerWaalsContact C-N 3.26Å; I20-K22 PolarHBondContact O-N 3.39Å; I20-Q23 PolarHBondContact O-N 3.23Å; I20-Y24 PolarHBondContact O-N 3.06Å
21D54.8Low60.1Low124 Ų124112.5 Ų112.566%0.66360%0.598SS**Hα-helixtrans-68.5-22.3176.7-74.6-19.2000113.4D19D19-D21 VanDerWaalsContact C-N 3.3Å; D19-D21 PolarHBondContact O-N 3.34Å
22K56Low61.4Low145 Ų145109.3 Ų109.363%0.6358%0.582SS**Hα-helixtrans-80.2-25.2174.2-69178.7-165.8150.20112.5D19 I20D19-K22 PolarHBondContact O-N 3.11Å; D19-K22 IonicContact OD1-NZ 2.98Å; D19-K22 PolarHBondContact OD1-NZ 3.32Å; I20-K22 VanDerWaalsContact C-N 3.26Å; I20-K22 PolarHBondContact O-N 3.39Å
23Q52.8Low62.7Low173 Ų173109.8 Ų109.881%0.80857%0.571SS**Hα-helixtrans-94-14.9-174.7-150.7165.312.700113.3D19 I20 V25D19-Q23 PolarHBondContact O-N 3.22Å; I20-Q23 PolarHBondContact O-N 3.23Å; Q23-V25 PolarHBondContact O-N 3.31Å
24Y59.6Low64.1Low153 Ų153110.4 Ų110.460%0.658%0.575SS**  trans-92.775.3173.7-165.7-114.4000111.2I20 A28 T29I20-Y24 PolarHBondContact O-N 3.06Å; Y24-A28 HydrophobicContact CD1-CB 4.23Å; Y24-A28 HydrophobicContact CE1-CB 3.22Å; Y24-A28 WeakPolarHBondContact OH-CB 3.48Å; Y24-T29 HydrophobicContact CD1-CG2 4.36Å; Y24-T29 WeakPolarHBondContact O-CG2 3.37Å
25V60.8Low65.5Low130 Ų130111.4 Ų111.479%0.78857%0.569SS**  trans-96.7122.5178.2-90.50000111.1Q23Q23-V25 PolarHBondContact O-N 3.31Å
26G68.1Low67Low43 Ų43111.9 Ų111.944%0.44357%0.565SS.*SBendtrans162.2-172-179.700000113.5A28 T29G26-A28 PolarHBondContact O-N 3.15Å; G26-T29 PolarHBondContact O-N 3.18Å; G26-T29 PolarHBondContact O-OG1 3.17Å
27F66.5Low68.5Low186 Ų186115.5 Ų115.582%0.81658%0.576SS**G310 helixtrans-52-28.7-178.9-73.5-82000114.1T29 L30F27-T29 PolarHBondContact O-N 2.87Å; F27-L30 HydrophobicContact CB-CD1 4.18Å; F27-L30 HydrophobicContact CD1-CD1 3.48Å; F27-L30 VanDerWaalsContact CD1-CD1 3.48Å; F27-L30 HydrophobicContact CE1-CD1 4.3Å; F27-L30 HydrophobicContact CG-CD1 4.26Å; F27-L30 VanDerWaalsContact O-CB 3.29Å; F27-L30 WeakPolarHBondContact O-CB 3.47Å; F27-L30 WeakPolarHBondContact O-CG 3.42Å; F27-L30 PolarHBondContact O-N 3.07Å; F27-L30 VanDerWaalsContact O-N 3.11Å
28A77.1Confident69.9Low52 Ų52111 Ų11143%0.4356%0.563SS.*G310 helixtrans-69.2-15.4-179.300000114Y24 G26Y24-A28 HydrophobicContact CD1-CB 4.23Å; Y24-A28 HydrophobicContact CE1-CB 3.22Å; Y24-A28 WeakPolarHBondContact OH-CB 3.48Å; G26-A28 PolarHBondContact O-N 3.15Å
29T74.8Confident71.2Confident23 Ų23105.9 Ų105.914%0.14154%0.542CS..G310 helixtrans-90.4-8.7172.663.20000113.7Y24 G26 F27 N32 Q33Y24-T29 HydrophobicContact CD1-CG2 4.36Å; Y24-T29 WeakPolarHBondContact O-CG2 3.37Å; G26-T29 PolarHBondContact O-N 3.18Å; G26-T29 PolarHBondContact O-OG1 3.17Å; F27-T29 PolarHBondContact O-N 2.87Å; T29-N32 WeakPolarHBondContact O-CB 3.37Å; T29-N32 PolarHBondContact O-N 3.45Å; T29-N32 VanDerWaalsContact O-N 3.08Å; T29-Q33 WeakPolarHBondContact O-CG 3.5Å; T29-Q33 PolarHBondContact O-N 3.04Å; T29-Q33 PolarHBondContact OG1-NE2 3.5Å
30L79.3Confident72.5Confident76 Ų76109 Ų10940%0.39855%0.551SS.*Hα-helixtrans-57-42.3-177.2-70.3172.8000113.5F27 N32 Q33 V34F27-L30 HydrophobicContact CB-CD1 4.18Å; F27-L30 HydrophobicContact CD1-CD1 3.48Å; F27-L30 VanDerWaalsContact CD1-CD1 3.48Å; F27-L30 HydrophobicContact CE1-CD1 4.3Å; F27-L30 HydrophobicContact CG-CD1 4.26Å; F27-L30 VanDerWaalsContact O-CB 3.29Å; F27-L30 WeakPolarHBondContact O-CB 3.47Å; F27-L30 WeakPolarHBondContact O-CG 3.42Å; F27-L30 PolarHBondContact O-N 3.07Å; F27-L30 VanDerWaalsContact O-N 3.11Å; L30-N32 VanDerWaalsContact C-N 3.28Å; L30-N32 PolarHBondContact O-N 3.46Å; L30-Q33 PolarHBondContact O-N 3.5Å; L30-Q33 VanDerWaalsContact O-N 3.16Å; L30-V34 WeakPolarHBondContact O-CG2 3.4Å; L30-V34 PolarHBondContact O-N 3.49Å
31P82.5Confident73.9Confident87 Ų87111.7 Ų111.757%0.56556%0.559SS**Hα-helixtrans-57.4-42.4175.4-25.536000112.4V34 H35P31-V34 PolarHBondContact O-N 3.05Å; P31-H35 WeakPolarHBondContact O-CB 3.41Å; P31-H35 PolarHBondContact O-N 3.05Å
32N82.3Confident75Confident105 Ų105106.5 Ų106.556%0.56153%0.534SS*.Hα-helixtrans-68.8-36.8177.8-64.9-17.3000111.9T29 L30 R36T29-N32 WeakPolarHBondContact O-CB 3.37Å; T29-N32 PolarHBondContact O-N 3.45Å; T29-N32 VanDerWaalsContact O-N 3.08Å; L30-N32 VanDerWaalsContact C-N 3.28Å; L30-N32 PolarHBondContact O-N 3.46Å; N32-R36 VanDerWaalsContact O-CB 3.28Å; N32-R36 WeakPolarHBondContact O-CB 3.21Å; N32-R36 PolarHBondContact O-N 3.43Å
33Q79Confident76.2Confident88 Ų88105.4 Ų105.441%0.41153%0.53SS..Hα-helixtrans-66.6-44.4175.7-68.5-178.632.700111.9T29 L30 K37T29-Q33 WeakPolarHBondContact O-CG 3.5Å; T29-Q33 PolarHBondContact O-N 3.04Å; T29-Q33 PolarHBondContact OG1-NE2 3.5Å; L30-Q33 PolarHBondContact O-N 3.5Å; L30-Q33 VanDerWaalsContact O-N 3.16Å; Q33-K37 VanDerWaalsContact O-CB 3.24Å; Q33-K37 WeakPolarHBondContact O-CB 3.15Å; Q33-K37 PolarHBondContact O-N 3.42Å
34V81.9Confident77.4Confident90 Ų90102.7 Ų102.755%0.54552%0.52SS..Hα-helixtrans-64.6-46.4176.9173.30000110.1L30 P31 R36 K37 S38L30-V34 WeakPolarHBondContact O-CG2 3.4Å; L30-V34 PolarHBondContact O-N 3.49Å; P31-V34 PolarHBondContact O-N 3.05Å; V34-R36 PolarHBondContact O-N 3.06Å; V34-K37 PolarHBondContact O-N 3.07Å; V34-S38 WeakPolarHBondContact O-CB 3.42Å; V34-S38 PolarHBondContact O-N 3.4Å; V34-S38 PolarHBondContact O-OG 3.25Å; V34-S38 VanDerWaalsContact O-OG 3.08Å
35H85.2Confident78Confident128 Ų128100.8 Ų100.859%0.59352%0.515SS*.Hα-helixtrans-56-53175.7177.870.6000111.5P31 K37 S38 V39P31-H35 WeakPolarHBondContact O-CB 3.41Å; P31-H35 PolarHBondContact O-N 3.05Å; H35-K37 VanDerWaalsContact C-N 3.3Å; H35-K37 PolarHBondContact O-N 3.07Å; H35-S38 PolarHBondContact O-N 3.08Å; H35-V39 WeakPolarHBondContact O-CB 3.29Å; H35-V39 VanDerWaalsContact O-CG2 3.27Å; H35-V39 WeakPolarHBondContact O-CG2 3.29Å; H35-V39 PolarHBondContact O-N 3.36Å
36R83.8Confident78.9Confident165 Ų165101.6 Ų101.662%0.62352%0.521SS*.Hα-helixtrans-61.7-36.6179.1-173.9171.863.2-137.40.9112.6N32 V34 K40N32-R36 VanDerWaalsContact O-CB 3.28Å; N32-R36 WeakPolarHBondContact O-CB 3.21Å; N32-R36 PolarHBondContact O-N 3.43Å; V34-R36 PolarHBondContact O-N 3.06Å; R36-K40 VanDerWaalsContact O-CB 3.28Å; R36-K40 WeakPolarHBondContact O-CB 2.87Å; R36-K40 PolarHBondContact O-N 3.03Å
37K84.3Confident79.3Confident162 Ų162104.3 Ų104.370%0.70453%0.525SS*.Hα-helixtrans-69-41.9177-171.8177.1-179-178.90111.8Q33 V34 H35 K40 K41Q33-K37 VanDerWaalsContact O-CB 3.24Å; Q33-K37 WeakPolarHBondContact O-CB 3.15Å; Q33-K37 PolarHBondContact O-N 3.42Å; V34-K37 PolarHBondContact O-N 3.07Å; H35-K37 VanDerWaalsContact C-N 3.3Å; H35-K37 PolarHBondContact O-N 3.07Å; K37-K40 PolarHBondContact O-N 3.33Å; K37-K41 VanDerWaalsContact O-CB 3.31Å; K37-K41 WeakPolarHBondContact O-CB 3.42Å; K37-K41 PolarHBondContact O-N 3.08Å
38S80.7Confident80.1Confident54 Ų54103.5 Ų103.538%0.37853%0.526SS..Hα-helixtrans-66.3-44.5176.9-62.90000111.7V34 H35 K41 G42V34-S38 WeakPolarHBondContact O-CB 3.42Å; V34-S38 PolarHBondContact O-N 3.4Å; V34-S38 PolarHBondContact O-OG 3.25Å; V34-S38 VanDerWaalsContact O-OG 3.08Å; H35-S38 PolarHBondContact O-N 3.08Å; S38-K41 PolarHBondContact O-N 2.96Å; S38-G42 PolarHBondContact O-N 3.11Å
39V81.1Confident80.3Confident34 Ų34103.8 Ų103.821%0.20652%0.522CS..Hα-helixtrans-57.5-53.3173.1170.10000109.3H35 K41 G42 V100H35-V39 WeakPolarHBondContact O-CB 3.29Å; H35-V39 VanDerWaalsContact O-CG2 3.27Å; H35-V39 WeakPolarHBondContact O-CG2 3.29Å; H35-V39 PolarHBondContact O-N 3.36Å; V39-K41 PolarHBondContact O-N 3.46Å; V39-K41 VanDerWaalsContact O-N 3.17Å; V39-G42 PolarHBondContact O-N 3.39Å; V39-V100 HydrophobicContact CB-CG2 4.19Å; V39-V100 HydrophobicContact CG1-CG2 3.38Å; V39-V100 WeakPolarHBondContact O-CA 3.34Å; V39-V100 WeakPolarHBondContact O-CB 3.24Å; V39-V100 WeakPolarHBondContact O-CG1 3.32Å; V39-V100 VanDerWaalsContact O-CG2 3.31Å; V39-V100 WeakPolarHBondContact O-CG2 3.13Å
40K79Confident80.7Confident160 Ų160106.4 Ų106.470%0.69655%0.546SS*.Hα-helixtrans-59.2-31.8178.7-171.2175.5-179.1178.80113.8R36 K37 G99R36-K40 VanDerWaalsContact O-CB 3.28Å; R36-K40 WeakPolarHBondContact O-CB 2.87Å; R36-K40 PolarHBondContact O-N 3.03Å; K37-K40 PolarHBondContact O-N 3.33Å; K40-G99 WeakPolarHBondContact CA-O 3.24Å
41K82.6Confident81Confident168 Ų168105 Ų10573%0.7355%0.55SS*.Hα-helixtrans-72.8-30-178.3-178.3178.3175.8-169.20113.3K37 S38 V39 K101K37-K41 VanDerWaalsContact O-CB 3.31Å; K37-K41 WeakPolarHBondContact O-CB 3.42Å; K37-K41 PolarHBondContact O-N 3.08Å; S38-K41 PolarHBondContact O-N 2.96Å; V39-K41 PolarHBondContact O-N 3.46Å; V39-K41 VanDerWaalsContact O-N 3.17Å; K41-K101 CarbonylContact C-O 3.24Å; K41-K101 VanDerWaalsContact C-O 3.24Å
42G77.9Confident81Confident14 Ų14108.2 Ų108.214%0.14456%0.557CS.*  trans101.1165.4-171.300000114.7S38 V39 K101S38-G42 PolarHBondContact O-N 3.11Å; V39-G42 PolarHBondContact O-N 3.39Å; G42-K101 WeakPolarHBondContact CA-O 3.34Å; G42-K101 PolarHBondContact N-O 3.4Å
43F81.9Confident81Confident123 Ų123109 Ų10954%0.53957%0.571SS.*  trans-129.9108.2169.8-59.1-81.5000112.1F45 V100 L102F43-F45 PolarHBondContact O-N 3.43Å; F43-V100 HydrophobicContact CD2-CG1 3.88Å; F43-V100 HydrophobicContact CE2-CG1 4.24Å; F43-L102 WeakPolarHBondContact O-CD1 3.29Å; F43-L102 WeakPolarHBondContact O-CD2 3.29Å; F43-L102 WeakPolarHBondContact O-CG 3.34Å
44D76.3Confident81Confident115 Ų115108.5 Ų108.562%0.61559%0.59SS**  trans-64.9121.1176.7-61.9-47000109.8L102D44-L102 VanDerWaalsContact CA-CD2 3.49Å; D44-L102 HydrophobicContact CB-CD2 4.33Å; D44-L102 WeakPolarHBondContact OD1-CD2 3.47Å
45F73.4Confident81.1Confident113 Ų113109.9 Ų109.950%0.49659%0.593SS.*  trans-124.6138.4175.178.1-91.6000109.5F43 F65 L102F43-F45 PolarHBondContact O-N 3.43Å; F45-F65 HydrophobicContact CE1-CE1 4.3Å; F45-F65 AromaticContact CE2-CE1 3.78Å; F45-F65 HydrophobicContact CE2-CE1 3.78Å; F45-F65 AromaticContact CE2-CZ 3.44Å; F45-F65 HydrophobicContact CE2-CZ 3.44Å; F45-F65 VanDerWaalsContact CE2-CZ 3.44Å; F45-F65 HydrophobicContact CZ-CD1 4.4Å; F45-F65 AromaticContact CZ-CE1 3.28Å; F45-F65 HydrophobicContact CZ-CE1 3.28Å; F45-F65 AromaticContact CZ-CZ 3.45Å; F45-F65 HydrophobicContact CZ-CZ 3.45Å; F45-F65 VanDerWaalsContact CZ-CZ 3.45Å; F45-L102 HydrophobicContact CD1-CD1 3.94Å; F45-L102 HydrophobicContact CE1-CD1 3.95Å
46T79Confident80.9Confident147 Ų147105.1 Ų105.190%0.90258%0.579SS**  trans-120.3128.7177.4-62.40000108.3
47L77.5Confident81.1Confident100 Ų10099.9 Ų99.952%0.52456%0.561SS.*  trans-121.7127.4-179.8-177.866.2000110V49 L64L47-V49 HydrophobicContact CD2-CG2 4.08Å; L47-V49 HydrophobicContact CG-CG2 4.03Å; L47-L64 HydrophobicContact CD2-CD2 3.86Å
48M82.9Confident80.8Confident170 Ų17095.3 Ų95.384%0.83755%0.549SS*.  trans-106.9130170.5-177.8177.217600109.2
49V81.6Confident80.9Confident57 Ų5797 Ų9735%0.34556%0.557SS.*  trans-121.1120.2177.8-170.80000108.7L47 K57 V61L47-V49 HydrophobicContact CD2-CG2 4.08Å; L47-V49 HydrophobicContact CG-CG2 4.03Å; V49-K57 HydrophobicContact CG1-CB 3.79Å; V49-K57 HydrophobicContact CG1-CD 4.13Å; V49-K57 HydrophobicContact CG1-CG 3.95Å; V49-V61 HydrophobicContact CG2-CG2 3.86Å
50A83.3Confident81Confident78 Ų78100.6 Ų100.665%0.64557%0.574SS**  trans-130.1153.7-177.900000111
51G83.9Confident81.2Confident47 Ų4794.3 Ų94.349%0.48555%0.549SS..  trans148.5170179.300000112.6K57G51-K57 WeakPolarHBondContact O-CE 2.92Å; G51-K57 PolarHBondContact O-NZ 3.19Å
52E82.8Confident81Confident154 Ų15489.8 Ų89.872%0.7253%0.531SS*.  trans-58.1153.9-177.7-62.3-178.8173.500113.3L55 K57E52-L55 HydrophobicContact CB-CD1 3.96Å; E52-L55 HydrophobicContact CB-CG 4.26Å; E52-L55 WeakPolarHBondContact O-CG 3.15Å; E52-K57 PolarHBondContact O-NZ 3.32Å
53S82.6Confident81.1Confident122 Ų12292.6 Ų92.685%0.85355%0.548SS*.THydrogen-bonded Turntrans-62146.4178.2-164.60000111L55S53-L55 VanDerWaalsContact C-N 3.34Å; S53-L55 PolarHBondContact O-N 3.44Å
54G79.1Confident81.1Confident78 Ų7891.7 Ų91.780%0.80455%0.548SS*.THydrogen-bonded Turntrans83.5-9.1179.300000116.7G56G54-G56 PolarHBondContact O-N 3.39Å
55L83.4Confident81.2Confident119 Ų11988.5 Ų88.562%0.62353%0.529SS*.SBendtrans-68.71.2178.8-68178.6000115.6E52 S53 K57E52-L55 HydrophobicContact CB-CD1 3.96Å; E52-L55 HydrophobicContact CB-CG 4.26Å; E52-L55 WeakPolarHBondContact O-CG 3.15Å; S53-L55 VanDerWaalsContact C-N 3.34Å; S53-L55 PolarHBondContact O-N 3.44Å; L55-K57 HydrophobicContact CB-CG 4.45Å
56G81.9Confident80.9Confident28 Ų2890.3 Ų90.329%0.28954%0.543SS..SBendtrans78.119.8-178.700000114.9G54 S58 T59 L60G54-G56 PolarHBondContact O-N 3.39Å; G56-S58 VanDerWaalsContact C-N 3.32Å; G56-S58 PolarHBondContact O-N 2.88Å; G56-T59 CarbonylContact O-C 3.59Å; G56-T59 WeakPolarHBondContact O-CA 3.29Å; G56-T59 VanDerWaalsContact O-CB 3.29Å; G56-T59 WeakPolarHBondContact O-CB 3.43Å; G56-T59 PolarHBondContact O-N 3.37Å; G56-L60 PolarHBondContact O-N 3.07Å
57K87.3Confident80Confident55 Ų5585.4 Ų85.424%0.23951%0.513CS..Hα-helixtrans-53.3-46.1175.5-60-175.8-56.2-71.20112.7V49 G51 E52 L55 T59 L60 V61V49-K57 HydrophobicContact CG1-CB 3.79Å; V49-K57 HydrophobicContact CG1-CD 4.13Å; V49-K57 HydrophobicContact CG1-CG 3.95Å; G51-K57 WeakPolarHBondContact O-CE 2.92Å; G51-K57 PolarHBondContact O-NZ 3.19Å; E52-K57 PolarHBondContact O-NZ 3.32Å; L55-K57 HydrophobicContact CB-CG 4.45Å; K57-T59 VanDerWaalsContact C-N 3.33Å; K57-L60 PolarHBondContact O-N 3.49Å; K57-V61 WeakPolarHBondContact O-CG2 3.45Å; K57-V61 PolarHBondContact O-N 2.91Å
58S77.9Confident79.2Confident65 Ų6584.1 Ų84.146%0.45551%0.507SS..Hα-helixtrans-65.9-36176.3-61.40000112.3G56 H62 Y70G56-S58 VanDerWaalsContact C-N 3.32Å; G56-S58 PolarHBondContact O-N 2.88Å; S58-H62 VanDerWaalsContact O-CB 3.32Å; S58-H62 WeakPolarHBondContact O-CB 3.29Å; S58-H62 PolarHBondContact O-N 2.8Å; S58-Y70 WeakPolarHBondContact CB-OH 3.42Å; S58-Y70 PolarHBondContact OG-OH 3.36Å; S58-Y70 VanDerWaalsContact OG-OH 3.12Å
59T84.4Confident78.1Confident91 Ų9177.3 Ų77.356%0.55847%0.474SS*.Hα-helixtrans-64.3-44.3174.2-48.20000111.2G56 K57 V61 H62 S63G56-T59 CarbonylContact O-C 3.59Å; G56-T59 WeakPolarHBondContact O-CA 3.29Å; G56-T59 VanDerWaalsContact O-CB 3.29Å; G56-T59 WeakPolarHBondContact O-CB 3.43Å; G56-T59 PolarHBondContact O-N 3.37Å; K57-T59 VanDerWaalsContact C-N 3.33Å; T59-V61 PolarHBondContact O-N 3.44Å; T59-H62 PolarHBondContact O-N 2.8Å; T59-S63 WeakPolarHBondContact O-CB 3.14Å; T59-S63 PolarHBondContact O-N 2.78Å; T59-S63 PolarHBondContact O-OG 3.12Å; T59-S63 VanDerWaalsContact O-OG 3.11Å
60L82.3Confident77Confident108 Ų10877.9 Ų77.957%0.56547%0.47SS*.Hα-helixtrans-58.8-48.3177.5177.665.6000111.7G56 K57 H62 S63 L64G56-L60 PolarHBondContact O-N 3.07Å; K57-L60 PolarHBondContact O-N 3.49Å; L60-H62 VanDerWaalsContact C-N 3.34Å; L60-H62 PolarHBondContact O-N 2.66Å; L60-S63 PolarHBondContact O-N 3.32Å; L60-L64 VanDerWaalsContact O-CB 3.29Å; L60-L64 WeakPolarHBondContact O-CB 3.46Å; L60-L64 PolarHBondContact O-N 3.35Å
61V83.4Confident75.5Confident28 Ų2881.7 Ų81.717%0.1747%0.472CS..Hα-helixtrans-63.7-41.9178.21780000110.8V49 K57 T59 L64 F65 L69V49-V61 HydrophobicContact CG2-CG2 3.86Å; K57-V61 WeakPolarHBondContact O-CG2 3.45Å; K57-V61 PolarHBondContact O-N 2.91Å; T59-V61 PolarHBondContact O-N 3.44Å; V61-L64 PolarHBondContact O-N 3.4Å; V61-F65 HydrophobicContact CG1-CD2 3.84Å; V61-F65 HydrophobicContact CG1-CE2 4.07Å; V61-F65 WeakPolarHBondContact O-CD2 3.28Å; V61-F65 PolarHBondContact O-N 2.77Å; V61-F65 VanDerWaalsContact O-N 3.13Å; V61-L69 HydrophobicContact CG1-CD1 3.52Å
62H78.3Confident74Confident74 Ų7487.1 Ų87.134%0.34349%0.49SS..Hα-helixtrans-62.8-43.5177.1-175.962.6000112.2S58 T59 L60 L66 T67S58-H62 VanDerWaalsContact O-CB 3.32Å; S58-H62 WeakPolarHBondContact O-CB 3.29Å; S58-H62 PolarHBondContact O-N 2.8Å; T59-H62 PolarHBondContact O-N 2.8Å; L60-H62 VanDerWaalsContact C-N 3.34Å; L60-H62 PolarHBondContact O-N 2.66Å; H62-L66 VanDerWaalsContact O-CA 3.29Å; H62-L66 WeakPolarHBondContact O-CA 3.31Å; H62-L66 PolarHBondContact O-N 2.83Å; H62-T67 PolarHBondContact CE1-O 3.01Å; H62-T67 PolarHBondContact ND1-O 3.04Å
63S80.9Confident72.3Confident73 Ų7384.6 Ų84.651%0.5147%0.474SS..Hα-helixtrans-67.4-35.6175.5-64.10000112.8T59 L60 L66T59-S63 WeakPolarHBondContact O-CB 3.14Å; T59-S63 PolarHBondContact O-N 2.78Å; T59-S63 PolarHBondContact O-OG 3.12Å; T59-S63 VanDerWaalsContact O-OG 3.11Å; L60-S63 PolarHBondContact O-N 3.32Å; S63-L66 WeakPolarHBondContact O-CD2 3.18Å
64L80.4Confident70.5Confident103 Ų10388 Ų8854%0.53947%0.473SS..Hα-helixtrans-67.2-39.8-180-172.270000111.9L47 L60 V61L47-L64 HydrophobicContact CD2-CD2 3.86Å; L60-L64 VanDerWaalsContact O-CB 3.29Å; L60-L64 WeakPolarHBondContact O-CB 3.46Å; L60-L64 PolarHBondContact O-N 3.35Å; V61-L64 PolarHBondContact O-N 3.4Å
65F79.3Confident68.9Low48 Ų4891.1 Ų91.121%0.21147%0.471CS..Hα-helixtrans-103.2-3.5-176.2-61.8-59.9000114.4F45 V61 T67 L69 I95F45-F65 HydrophobicContact CE1-CE1 4.3Å; F45-F65 AromaticContact CE2-CE1 3.78Å; F45-F65 HydrophobicContact CE2-CE1 3.78Å; F45-F65 AromaticContact CE2-CZ 3.44Å; F45-F65 HydrophobicContact CE2-CZ 3.44Å; F45-F65 VanDerWaalsContact CE2-CZ 3.44Å; F45-F65 HydrophobicContact CZ-CD1 4.4Å; F45-F65 AromaticContact CZ-CE1 3.28Å; F45-F65 HydrophobicContact CZ-CE1 3.28Å; F45-F65 AromaticContact CZ-CZ 3.45Å; F45-F65 HydrophobicContact CZ-CZ 3.45Å; F45-F65 VanDerWaalsContact CZ-CZ 3.45Å; V61-F65 HydrophobicContact CG1-CD2 3.84Å; V61-F65 HydrophobicContact CG1-CE2 4.07Å; V61-F65 WeakPolarHBondContact O-CD2 3.28Å; V61-F65 PolarHBondContact O-N 2.77Å; V61-F65 VanDerWaalsContact O-N 3.13Å; F65-T67 VanDerWaalsContact CB-OG1 3.24Å; F65-T67 WeakPolarHBondContact CB-OG1 3.31Å; F65-T67 PolarHBondContact O-N 3.49Å; F65-T67 PolarHBondContact O-OG1 3.24Å; F65-L69 HydrophobicContact CD2-CD1 4.35Å; F65-I95 HydrophobicContact CD1-CD1 3.46Å; F65-I95 VanDerWaalsContact CD1-CD1 3.46Å; F65-I95 HydrophobicContact CE1-CD1 3.98Å; F65-I95 HydrophobicContact CG-CD1 4.32Å
66L67.7Low67.1Low152 Ų15289.9 Ų89.980%0.79646%0.464SS*.  trans45.823.2-176.3-60.8175.6000113.5H62 S63H62-L66 VanDerWaalsContact O-CA 3.29Å; H62-L66 WeakPolarHBondContact O-CA 3.31Å; H62-L66 PolarHBondContact O-N 2.83Å; S63-L66 WeakPolarHBondContact O-CD2 3.18Å
67T58.9Low65.4Low44 Ų4491.4 Ų91.427%0.2747%0.471SS..SBendtrans-119.5134.3-176.221.50000108H62 F65 L69 V93H62-T67 PolarHBondContact CE1-O 3.01Å; H62-T67 PolarHBondContact ND1-O 3.04Å; F65-T67 VanDerWaalsContact CB-OG1 3.24Å; F65-T67 WeakPolarHBondContact CB-OG1 3.31Å; F65-T67 PolarHBondContact O-N 3.49Å; F65-T67 PolarHBondContact O-OG1 3.24Å; T67-L69 PolarHBondContact O-N 3.18Å; T67-V93 HydrophobicContact CG2-CG1 3.94Å
68D61Low63.6Low73 Ų7391.7 Ų91.739%0.3948%0.484SS..  trans-79.379.5174.4-167.32.3000108.5Y70 K71D68-Y70 PolarHBondContact O-N 3.47Å; D68-Y70 VanDerWaalsContact O-N 3.07Å; D68-K71 HydrophobicContact CB-CD 3.77Å; D68-K71 VanDerWaalsContact CB-CE 3.45Å; D68-K71 HydrophobicContact CB-CG 3.76Å; D68-K71 VanDerWaalsContact CG-CG 3.5Å; D68-K71 WeakPolarHBondContact O-CG 3.41Å; D68-K71 PolarHBondContact O-N 3.01Å; D68-K71 VanDerWaalsContact OD2-CE 3.29Å; D68-K71 WeakPolarHBondContact OD2-CE 3.38Å; D68-K71 VanDerWaalsContact OD2-CG 3.29Å; D68-K71 WeakPolarHBondContact OD2-CG 3.17Å
69L58.9Low62.3Low27 Ų2795.6 Ų95.614%0.14150%0.495CS..THydrogen-bonded Turntrans-59.1-16.6-180-66.6163.1000111.7V61 F65 T67 H91 V93V61-L69 HydrophobicContact CG1-CD1 3.52Å; F65-L69 HydrophobicContact CD2-CD1 4.35Å; T67-L69 PolarHBondContact O-N 3.18Å; L69-H91 HydrophobicContact CB-CB 4.21Å; L69-H91 HydrophobicContact CD2-CB 3.78Å; L69-H91 PolarHBondContact O-CE1 3.37Å; L69-H91 PolarHBondContact O-ND1 3.46Å; L69-V93 HydrophobicContact CD2-CB 4.35Å; L69-V93 HydrophobicContact CD2-CG2 3.19Å
70Y59Low60.6Low68 Ų6895.7 Ų95.727%0.26749%0.489SS..THydrogen-bonded Turntrans-97.23.6-172.5-61.4-87.8000114.2S58 D68 D72 R73S58-Y70 WeakPolarHBondContact CB-OH 3.42Å; S58-Y70 PolarHBondContact OG-OH 3.36Å; S58-Y70 VanDerWaalsContact OG-OH 3.12Å; D68-Y70 PolarHBondContact O-N 3.47Å; D68-Y70 VanDerWaalsContact O-N 3.07Å; Y70-D72 PolarHBondContact O-N 2.98Å; Y70-D72 VanDerWaalsContact O-N 3.08Å; Y70-R73 VanDerWaalsContact CD1-NE 3.34Å; Y70-R73 VanDerWaalsContact CE1-CZ 3.49Å; Y70-R73 PolarHBondContact O-N 2.81Å
71K52.6Low58.9Low158 Ų15897.9 Ų97.969%0.68749%0.489SS*.THydrogen-bonded Turntrans-56.3-28-172.8-80.9175.4166.7164.70115.5D68D68-K71 HydrophobicContact CB-CD 3.77Å; D68-K71 VanDerWaalsContact CB-CE 3.45Å; D68-K71 HydrophobicContact CB-CG 3.76Å; D68-K71 VanDerWaalsContact CG-CG 3.5Å; D68-K71 WeakPolarHBondContact O-CG 3.41Å; D68-K71 PolarHBondContact O-N 3.01Å; D68-K71 VanDerWaalsContact OD2-CE 3.29Å; D68-K71 WeakPolarHBondContact OD2-CE 3.38Å; D68-K71 VanDerWaalsContact OD2-CG 3.29Å; D68-K71 WeakPolarHBondContact OD2-CG 3.17Å
72D52.4Low57.3Low162 Ų162103.2 Ų103.287%0.86652%0.516SS*.THydrogen-bonded Turntrans-99.18.5-179.2-62.5-41.7000114.2Y70 K74Y70-D72 PolarHBondContact O-N 2.98Å; Y70-D72 VanDerWaalsContact O-N 3.08Å; D72-K74 PolarHBondContact O-N 2.89Å
73R47.3Very low55.8Low101 Ų101104.2 Ų104.238%0.38153%0.531SS..  trans-77.5114.5174-68.6-161.2-170.6-166.32.2110.2Y70 L75 L89 H91Y70-R73 VanDerWaalsContact CD1-NE 3.34Å; Y70-R73 VanDerWaalsContact CE1-CZ 3.49Å; Y70-R73 PolarHBondContact O-N 2.81Å; R73-L75 PolarHBondContact O-N 3.13Å; R73-L89 VanDerWaalsContact NH1-CD1 3.33Å; R73-L89 VanDerWaalsContact NH2-CD1 3.32Å; R73-H91 PolarHBondContact NH2-NE2 3.23Å
74K44.8Very low54.1Low193 Ų193105.5 Ų105.584%0.83953%0.529SS*.  trans-52115.8154.1-86.5-176.8175.3179.50107.3D72 L76D72-K74 PolarHBondContact O-N 2.89Å; K74-L76 VanDerWaalsContact C-N 3.31Å; K74-L76 PolarHBondContact O-N 3.32Å
75L45.1Very low52.4Low143 Ų143106.8 Ų106.875%0.74954%0.541SS*.  trans-69.988.7179.3-59.7172.9000108.9R73R73-L75 PolarHBondContact O-N 3.13Å
76L45.5Very low50.6Low93 Ų93111.1 Ų111.149%0.48757%0.571SS.*  trans-65.9147.9163-68.8175.3000109.4K74 E80 R81K74-L76 VanDerWaalsContact C-N 3.31Å; K74-L76 PolarHBondContact O-N 3.32Å; L76-E80 HydrophobicContact CB-CB 4.47Å; L76-E80 WeakPolarHBondContact CB-OE2 3.48Å; L76-R81 PolarHBondContact O-NE 2.87Å; L76-R81 VanDerWaalsContact O-NE 3.15Å
77S46.8Very low49.5Very low60 Ų60109 Ų10942%0.4256%0.557SS.*  trans-63.7160.7-166.691.10000112E79 E80 R81S77-E79 PolarHBondContact O-N 3.11Å; S77-E79 VanDerWaalsContact O-N 3.17Å; S77-E79 PolarHBondContact OG-OE2 3.37Å; S77-E80 PolarHBondContact O-N 2.83Å; S77-R81 PolarHBondContact O-N 3.26Å
78A49.4Very low49Very low62 Ų62114.7 Ų114.751%0.51258%0.584SS.*THydrogen-bonded Turntrans-57.3-30.8-175.200000113.4
79E49.9Very low48.3Very low147 Ų147114.3 Ų114.369%0.68758%0.582SS**THydrogen-bonded Turntrans-67-36.1175.8-72.576.5-161.100113.4S77S77-E79 PolarHBondContact O-N 3.11Å; S77-E79 VanDerWaalsContact O-N 3.17Å; S77-E79 PolarHBondContact OG-OE2 3.37Å
80E47.8Very low47.8Very low93 Ų93117.1 Ų117.144%0.43559%0.593SS.*Hα-helixtrans-77.1-28.5-179.4-68.7175.914100112.1L76 S77 I82 S83L76-E80 HydrophobicContact CB-CB 4.47Å; L76-E80 WeakPolarHBondContact CB-OE2 3.48Å; S77-E80 PolarHBondContact O-N 2.83Å; E80-I82 PolarHBondContact O-N 3.49Å; E80-S83 PolarHBondContact O-N 2.86Å; E80-S83 PolarHBondContact O-OG 3.2Å
81R47.3Very low47.3Very low153 Ų153117.3 Ų117.358%0.57760%0.596SS**Hα-helixtrans-62.9-22.9178.5-68.5179.3-175.6-166.7-4.3114.5L76 S77L76-R81 PolarHBondContact O-NE 2.87Å; L76-R81 VanDerWaalsContact O-NE 3.15Å; S77-R81 PolarHBondContact O-N 3.26Å
82I49.7Very low47.1Very low141 Ų141113.3 Ų113.372%0.72359%0.585SS**Hα-helixtrans-83.2-29.3-178.1-61.4170.2000110.7E80E80-I82 PolarHBondContact O-N 3.49Å
83S47.2Very low47.1Very low95 Ų95108.2 Ų108.266%0.66456%0.56SS**Hα-helixtrans-87.6-30.3-173.777.30000114.2E80 T85E80-S83 PolarHBondContact O-N 2.86Å; E80-S83 PolarHBondContact O-OG 3.2Å; S83-T85 PolarHBondContact O-N 2.95Å; S83-T85 VanDerWaalsContact O-N 3.11Å
84Q45.3Very low47.4Very low100 Ų100109.4 Ų109.447%0.46757%0.574SS.*  trans-90.970.5-177.2-74.2-172.1-65.100112V86Q84-V86 PolarHBondContact O-N 3.17Å
85T44.4Very low47.9Very low129 Ų129103 Ų10379%0.79155%0.548SS*.THydrogen-bonded Turntrans-84.517.2163.7-39.90000111.9S83S83-T85 PolarHBondContact O-N 2.95Å; S83-T85 VanDerWaalsContact O-N 3.11Å
86V40.9Very low48Very low139 Ų139102 Ų10284%0.84254%0.54SS*.THydrogen-bonded Turntrans-133.243.3175.4-159.40000110.9Q84Q84-V86 PolarHBondContact O-N 3.17Å
87E44.4Very low48.1Very low107 Ų107103.9 Ų103.950%0.555%0.546SS..  trans-114.4103.8165.3-153.4-176.3-174.100109.8L89E87-L89 HydrophobicContact CB-CG 4.47Å; E87-L89 HydrophobicContact CG-CD1 4.41Å; E87-L89 HydrophobicContact CG-CD2 4.23Å; E87-L89 HydrophobicContact CG-CG 4.02Å; E87-L89 PolarHBondContact O-N 3.25Å; E87-L89 VanDerWaalsContact O-N 3.08Å
88I48.4Very low48.2Very low165 Ų165109.8 Ų109.885%0.84656%0.564SS**  trans-75.695.3173.3-58.4174.2000107.2
89L47.9Very low48.3Very low65 Ų65108.9 Ų108.934%0.3456%0.56SS.*  trans-92.7110.6176.8-72.1166.6000109.7R73 E87R73-L89 VanDerWaalsContact NH1-CD1 3.33Å; R73-L89 VanDerWaalsContact NH2-CD1 3.32Å; E87-L89 HydrophobicContact CB-CG 4.47Å; E87-L89 HydrophobicContact CG-CD1 4.41Å; E87-L89 HydrophobicContact CG-CD2 4.23Å; E87-L89 HydrophobicContact CG-CG 4.02Å; E87-L89 PolarHBondContact O-N 3.25Å; E87-L89 VanDerWaalsContact O-N 3.08Å
90K46.9Very low48.1Very low85 Ų85103.2 Ų103.237%0.3754%0.536SS..  trans-84.7111.1-177.5-171.8-175.4-166-173.50109.8L107 M110K90-L107 HydrophobicContact CD-CD1 4.17Å; K90-L107 VanDerWaalsContact NZ-CG 3.28Å; K90-L107 PolarHBondContact NZ-O 3.24Å; K90-M110 HydrophobicContact CD-CE 3.95Å
91H49.9Very low48.3Very low72 Ų72103.3 Ų103.333%0.33354%0.535SS..  trans-103.1125.7172.6-63.6-68.4000109.3L69 R73L69-H91 HydrophobicContact CB-CB 4.21Å; L69-H91 HydrophobicContact CD2-CB 3.78Å; L69-H91 PolarHBondContact O-CE1 3.37Å; L69-H91 PolarHBondContact O-ND1 3.46Å; R73-H91 PolarHBondContact NH2-NE2 3.23Å
92T46.8Very low48.6Very low75 Ų7597.8 Ų97.846%0.4652%0.516SS..  trans-111.7122.8177.9-41.50000107.2L107T92-L107 HydrophobicContact CG2-CD1 3.98Å; T92-L107 HydrophobicContact CG2-CD2 4.46Å; T92-L107 WeakPolarHBondContact OG1-CD1 3.37Å
93V53.9Low49Very low54 Ų5498.2 Ų98.233%0.32751%0.513SS..  trans-128.9126.9176.51760000108.1T67 L69 I95T67-V93 HydrophobicContact CG2-CG1 3.94Å; L69-V93 HydrophobicContact CD2-CB 4.35Å; L69-V93 HydrophobicContact CD2-CG2 3.19Å; V93-I95 HydrophobicContact CB-CG1 4.41Å; V93-I95 HydrophobicContact CG1-CG1 3.83Å; V93-I95 PolarHBondContact O-N 2.95Å
94D52.1Low49.6Very low126 Ų12697.6 Ų97.667%0.67450%0.502SS*.  trans-75.5108.8169.9-69.3-25.8000108.7
95I56.7Low50.3Low58 Ų5899.9 Ų99.930%0.29751%0.513SS..  trans-104.3126177.6-54.2176000108.4F65 V93F65-I95 HydrophobicContact CD1-CD1 3.46Å; F65-I95 VanDerWaalsContact CD1-CD1 3.46Å; F65-I95 HydrophobicContact CE1-CD1 3.98Å; F65-I95 HydrophobicContact CG-CD1 4.32Å; V93-I95 HydrophobicContact CB-CG1 4.41Å; V93-I95 HydrophobicContact CG1-CG1 3.83Å; V93-I95 PolarHBondContact O-N 2.95Å
96E46.5Very low51Low124 Ų12499 Ų9958%0.57950%0.5SS*.EExtended strand (participates in β ladder)trans-118.4108.3173.8-177.2168.3-167.100109.2K101E96-K101 HydrophobicContact CG-CG 4.33Å; E96-K101 WeakPolarHBondContact OE1-CE 3.47Å; E96-K101 IonicContact OE1-NZ 3.89Å; E96-K101 WeakPolarHBondContact OE2-CE 3.27Å; E96-K101 IonicContact OE2-NZ 3.73Å; E96-K101 PolarHBondContact OE2-NZ 3.08Å
97E47.5Very low52Low132 Ų13294.6 Ų94.662%0.61747%0.471SS*.EExtended strand (participates in β ladder)trans-127.9128.1173.2-148-165.2156.900109.9G99 V100E97-G99 PolarHBondContact O-N 3.04Å; E97-V100 WeakPolarHBondContact O-CB 3.47Å; E97-V100 PolarHBondContact O-N 3.06Å
98K49.2Very low53.2Low184 Ų18497.9 Ų97.980%0.848%0.479SS*.THydrogen-bonded Turntrans51.133.4177-59.8177-175170.40114.9
99G51.3Low54.3Low42 Ų4297.1 Ų97.143%0.43347%0.466SS..THydrogen-bonded Turntrans83.711.1177.100000115.2K40 E97K40-G99 WeakPolarHBondContact CA-O 3.24Å; E97-G99 PolarHBondContact O-N 3.04Å
100V46.1Very low55.2Low28 Ų2898.2 Ų98.217%0.1747%0.47CS..EExtended strand (participates in β ladder)trans-95.3118.1175.7-177.90000109.3V39 F43 E97V39-V100 HydrophobicContact CB-CG2 4.19Å; V39-V100 HydrophobicContact CG1-CG2 3.38Å; V39-V100 WeakPolarHBondContact O-CA 3.34Å; V39-V100 WeakPolarHBondContact O-CB 3.24Å; V39-V100 WeakPolarHBondContact O-CG1 3.32Å; V39-V100 VanDerWaalsContact O-CG2 3.31Å; V39-V100 WeakPolarHBondContact O-CG2 3.13Å; F43-V100 HydrophobicContact CD2-CG1 3.88Å; F43-V100 HydrophobicContact CE2-CG1 4.24Å; E97-V100 WeakPolarHBondContact O-CB 3.47Å; E97-V100 PolarHBondContact O-N 3.06Å
101K50.9Low56.3Low95 Ų9599.4 Ų99.441%0.41348%0.477SS..EExtended strand (participates in β ladder)trans-112.4121.9176.4-77-166178-160.60111.1K41 G42 E96K41-K101 CarbonylContact C-O 3.24Å; K41-K101 VanDerWaalsContact C-O 3.24Å; G42-K101 WeakPolarHBondContact CA-O 3.34Å; G42-K101 PolarHBondContact N-O 3.4Å; E96-K101 HydrophobicContact CG-CG 4.33Å; E96-K101 WeakPolarHBondContact OE1-CE 3.47Å; E96-K101 IonicContact OE1-NZ 3.89Å; E96-K101 WeakPolarHBondContact OE2-CE 3.27Å; E96-K101 IonicContact OE2-NZ 3.73Å; E96-K101 PolarHBondContact OE2-NZ 3.08Å
102L55.6Low57.8Low37 Ų37100.3 Ų100.319%0.19448%0.481CS..  trans-86.4131173.1-88.4164.8000111F43 D44 F45F43-L102 WeakPolarHBondContact O-CD1 3.29Å; F43-L102 WeakPolarHBondContact O-CD2 3.29Å; F43-L102 WeakPolarHBondContact O-CG 3.34Å; D44-L102 VanDerWaalsContact CA-CD2 3.49Å; D44-L102 HydrophobicContact CB-CD2 4.33Å; D44-L102 WeakPolarHBondContact OD1-CD2 3.47Å; F45-L102 HydrophobicContact CD1-CD1 3.94Å; F45-L102 HydrophobicContact CE1-CD1 3.95Å
103K57.6Low59.2Low150 Ų150102.5 Ų102.565%0.65249%0.488SS*.  trans-136.3110.3-173.8-79.8-167.4174.4-170.20114.5E105K103-E105 VanDerWaalsContact C-N 3.3Å; K103-E105 PolarHBondContact O-N 2.91Å
104D59.9Low60.2Low83 Ų83104.1 Ų104.144%0.44449%0.494SS..SBendtrans34.4-12.2131.9-73-22.9000125.2E106 L107D104-E106 VanDerWaalsContact C-N 3.35Å; D104-E106 PolarHBondContact O-N 3.24Å; D104-L107 WeakPolarHBondContact O-CB 3.35Å; D104-L107 PolarHBondContact O-N 2.91Å
105E59.1Low61.4Low148 Ų148105 Ų10569%0.69249%0.494SS*.Hα-helixtrans-69.5-33.7-179.6-78.5-159.8168.900112.9K103 L107 R108 R109K103-E105 VanDerWaalsContact C-N 3.3Å; K103-E105 PolarHBondContact O-N 2.91Å; E105-L107 PolarHBondContact O-N 3.33Å; E105-R108 PolarHBondContact O-N 2.87Å; E105-R109 PolarHBondContact O-N 2.96Å
106E59.7Low62.8Low109 Ų109110.8 Ų110.851%0.50951%0.512SS..Hα-helixtrans-65.9-29.1174-71.2-67.612800111.7D104 R108 R109 M110D104-E106 VanDerWaalsContact C-N 3.35Å; D104-E106 PolarHBondContact O-N 3.24Å; E106-R108 VanDerWaalsContact C-N 3.35Å; E106-R108 PolarHBondContact O-N 3.47Å; E106-R109 PolarHBondContact O-N 2.88Å; E106-R109 IonicContact OE1-NH1 3.91Å; E106-M110 WeakPolarHBondContact O-CB 3.28Å; E106-M110 PolarHBondContact O-N 3.46Å
107L61.8Low64.2Low47 Ų47110.3 Ų110.325%0.24651%0.511CS..Hα-helixtrans-61.8-44.3179.1-160.585.8000111.6K90 T92 D104 E105 Q111K90-L107 HydrophobicContact CD-CD1 4.17Å; K90-L107 VanDerWaalsContact NZ-CG 3.28Å; K90-L107 PolarHBondContact NZ-O 3.24Å; T92-L107 HydrophobicContact CG2-CD1 3.98Å; T92-L107 HydrophobicContact CG2-CD2 4.46Å; T92-L107 WeakPolarHBondContact OG1-CD1 3.37Å; D104-L107 WeakPolarHBondContact O-CB 3.35Å; D104-L107 PolarHBondContact O-N 2.91Å; E105-L107 PolarHBondContact O-N 3.33Å; L107-Q111 WeakPolarHBondContact O-CG 3.34Å; L107-Q111 PolarHBondContact O-N 2.9Å; L107-Q111 VanDerWaalsContact O-N 3.07Å
108R69Low65.3Low176 Ų176110.9 Ų110.966%0.66451%0.512SS*.Hα-helixtrans-68.8-42.8-179.6-170.4175178174.23.2111.2E105 E106 M110 Q111 E112E105-R108 PolarHBondContact O-N 2.87Å; E106-R108 VanDerWaalsContact C-N 3.35Å; E106-R108 PolarHBondContact O-N 3.47Å; R108-M110 VanDerWaalsContact C-N 3.35Å; R108-M110 PolarHBondContact O-N 2.85Å; R108-Q111 PolarHBondContact O-N 3.34Å; R108-E112 IonicContact NE-OE1 2.79Å; R108-E112 WeakPolarHBondContact O-CG 2.96Å; R108-E112 PolarHBondContact O-N 2.93Å
109R72.7Confident66.6Low150 Ų150107 Ų10757%0.56650%0.496SS*.Hα-helixtrans-63-40.5176.5-69.2-179.5179.2-170.6-0.3112.3E105 E106 E112 M113E105-R109 PolarHBondContact O-N 2.96Å; E106-R109 PolarHBondContact O-N 2.88Å; E106-R109 IonicContact OE1-NH1 3.91Å; R109-E112 PolarHBondContact O-N 2.79Å; R109-M113 PolarHBondContact O-N 3.03Å
110M66.6Low67.7Low87 Ų87111.7 Ų111.743%0.42951%0.507SS..Hα-helixtrans-72-33.2179.4-153.6-178.892.800112.2K90 E106 R108 M113 L114K90-M110 HydrophobicContact CD-CE 3.95Å; E106-M110 WeakPolarHBondContact O-CB 3.28Å; E106-M110 PolarHBondContact O-N 3.46Å; R108-M110 VanDerWaalsContact C-N 3.35Å; R108-M110 PolarHBondContact O-N 2.85Å; M110-M113 PolarHBondContact O-N 3.11Å; M110-L114 HydrophobicContact CE-CD1 4.36Å; M110-L114 WeakPolarHBondContact O-CG 3.46Å; M110-L114 PolarHBondContact O-N 3.16Å; M110-L114 VanDerWaalsContact O-N 3.07Å
111Q69.4Low68.8Low110 Ų110117 Ų11751%0.51453%0.532SS..Hα-helixtrans-65.7-42.6172.6-80.5-179.4-22.700111.9L107 R108 M113 L114 Q115L107-Q111 WeakPolarHBondContact O-CG 3.34Å; L107-Q111 PolarHBondContact O-N 2.9Å; L107-Q111 VanDerWaalsContact O-N 3.07Å; R108-Q111 PolarHBondContact O-N 3.34Å; Q111-M113 PolarHBondContact O-N 3.25Å; Q111-L114 PolarHBondContact O-N 3.08Å; Q111-Q115 PolarHBondContact O-N 2.85Å
112E81.4Confident69.1Low92 Ų92119.4 Ų119.443%0.4355%0.545SS..Hα-helixtrans-63.6-39.8175.8-73.7174.3-171.100112R108 R109 Q115 R116R108-E112 IonicContact NE-OE1 2.79Å; R108-E112 WeakPolarHBondContact O-CG 2.96Å; R108-E112 PolarHBondContact O-N 2.93Å; R109-E112 PolarHBondContact O-N 2.79Å; E112-Q115 PolarHBondContact O-N 3Å; E112-R116 WeakPolarHBondContact O-CG 3.38Å; E112-R116 PolarHBondContact O-N 3.27Å; E112-R116 VanDerWaalsContact O-N 3.13Å
113M76.4Confident69.4Low120 Ų120123.3 Ų123.359%0.59157%0.566SS**Hα-helixtrans-65.2-43.4176.9-169.2-176.3-63.700112.4R109 M110 Q111 Q115 R116 M117R109-M113 PolarHBondContact O-N 3.03Å; M110-M113 PolarHBondContact O-N 3.11Å; Q111-M113 PolarHBondContact O-N 3.25Å; M113-Q115 PolarHBondContact O-N 3.34Å; M113-R116 PolarHBondContact O-N 3.39Å; M113-M117 PolarHBondContact O-N 3.19Å
114L75.6Confident68.9Low88 Ų88127 Ų12746%0.46159%0.585SS.*Hα-helixtrans-66.4-36.4177.8-77.5167.9000112.5M110 Q111 R116 M117 K118M110-L114 HydrophobicContact CE-CD1 4.36Å; M110-L114 WeakPolarHBondContact O-CG 3.46Å; M110-L114 PolarHBondContact O-N 3.16Å; M110-L114 VanDerWaalsContact O-N 3.07Å; Q111-L114 PolarHBondContact O-N 3.08Å; L114-R116 VanDerWaalsContact C-N 3.33Å; L114-M117 PolarHBondContact O-N 3.23Å; L114-K118 PolarHBondContact O-N 3.35Å; L114-K118 VanDerWaalsContact O-N 3.11Å
115Q76.8Confident69.4Low144 Ų144129.2 Ų129.267%0.67359%0.592SS**Hα-helixtrans-63.6-40.2173.5-79-168.1-22.700111.7Q111 E112 M113 K118 Q119Q111-Q115 PolarHBondContact O-N 2.85Å; E112-Q115 PolarHBondContact O-N 3Å; M113-Q115 PolarHBondContact O-N 3.34Å; Q115-K118 PolarHBondContact O-N 3.46Å; Q115-Q119 PolarHBondContact O-N 3.2Å; Q115-Q119 VanDerWaalsContact O-N 3.09Å
116R85.9Confident69.9Low180 Ų180128.2 Ų128.268%0.67959%0.587SS**Hα-helixtrans-64.4-41.9176.7-72.7176.5-179.2-169.31.7112.7E112 M113 L114 Q119 Q120E112-R116 WeakPolarHBondContact O-CG 3.38Å; E112-R116 PolarHBondContact O-N 3.27Å; E112-R116 VanDerWaalsContact O-N 3.13Å; M113-R116 PolarHBondContact O-N 3.39Å; L114-R116 VanDerWaalsContact C-N 3.33Å; R116-Q119 PolarHBondContact O-N 3.03Å; R116-Q120 WeakPolarHBondContact O-CG 3.47Å; R116-Q120 PolarHBondContact O-N 3.42Å; R116-Q120 VanDerWaalsContact O-N 3.15Å
117M75.3Confident70.5Confident114 Ų114129.2 Ų129.256%0.56259%0.591SS**Hα-helixtrans-66.1-36.9177.7-70.6-175.273.600112.6M113 L114 Q120 M121M113-M117 PolarHBondContact O-N 3.19Å; L114-M117 PolarHBondContact O-N 3.23Å; M117-Q120 PolarHBondContact O-N 3.37Å; M117-M121 PolarHBondContact O-N 3.47Å
118K70.4Confident71Confident145 Ų145134.1 Ų134.163%0.6361%0.611SS**Hα-helixtrans-66.8-38.7175.5-76.4-173.2177.1-173.10112.4L114 Q115 M121 Q122L114-K118 PolarHBondContact O-N 3.35Å; L114-K118 VanDerWaalsContact O-N 3.11Å; Q115-K118 PolarHBondContact O-N 3.46Å; K118-M121 PolarHBondContact O-N 3.32Å; K118-Q122 PolarHBondContact O-N 3.23Å
119Q76.7Confident71.1Confident101 Ų101131.4 Ų131.447%0.47261%0.608SS.*Hα-helixtrans-63.2-42.9177-166.763.849.700111.3Q115 R116 M121 Q122 D123Q115-Q119 PolarHBondContact O-N 3.2Å; Q115-Q119 VanDerWaalsContact O-N 3.09Å; R116-Q119 PolarHBondContact O-N 3.03Å; Q119-M121 VanDerWaalsContact C-N 3.28Å; Q119-M121 PolarHBondContact O-N 3.49Å; Q119-Q122 PolarHBondContact O-N 3.05Å; Q119-D123 PolarHBondContact NE2-OD1 3.29Å; Q119-D123 PolarHBondContact O-N 3.25Å; Q119-D123 VanDerWaalsContact O-N 3.16Å
120Q73.9Confident71Confident141 Ų141130.2 Ų130.266%0.65961%0.611SS**Hα-helixtrans-64.8-27.8178.6-73.6-176.3-34.900114.2R116 M117R116-Q120 WeakPolarHBondContact O-CG 3.47Å; R116-Q120 PolarHBondContact O-N 3.42Å; R116-Q120 VanDerWaalsContact O-N 3.15Å; M117-Q120 PolarHBondContact O-N 3.37Å
121M69.9Low71.3Confident141 Ų141133.3 Ų133.370%0.69562%0.624SS**Hα-helixtrans-81.2-18173.5-82.4-161.4-58.100113.7M117 K118 Q119M117-M121 PolarHBondContact O-N 3.47Å; K118-M121 PolarHBondContact O-N 3.32Å; Q119-M121 VanDerWaalsContact C-N 3.28Å; Q119-M121 PolarHBondContact O-N 3.49Å
122Q57.6Low71.5Confident145 Ų145135.1 Ų135.168%0.67863%0.632SS**Hα-helixtrans-88.9-20175.9-74-175.3-32.800112.7K118 Q119 Q124K118-Q122 PolarHBondContact O-N 3.23Å; Q119-Q122 PolarHBondContact O-N 3.05Å; Q122-Q124 VanDerWaalsContact C-N 3.29Å
123D61.7Low70.6Confident119 Ų119138.7 Ų138.764%0.63665%0.649SS**  trans-89.712.9177.1-61.6-21.9000112.8Q119Q119-D123 PolarHBondContact NE2-OD1 3.29Å; Q119-D123 PolarHBondContact O-N 3.25Å; Q119-D123 VanDerWaalsContact O-N 3.16Å
124Q47.3Very low70.1Confident226 Ų226140.4 Ų140.4100%1.05666%0.655SS**  trans-115.30170.3-84.8-172.1-7.200110.8Q122Q122-Q124 VanDerWaalsContact C-N 3.29Å

Retrieved 124 of 124 residues in 36.1 ms (Link to these results)