A0A077ZHX2_TRITR Loading...

DUF1168 domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZHX2, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 165 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
1M57.6Low62.7Low223 Ų223121.8 Ų121.8100%1.09965%0.645SS**  029.20-70.4-61.2-175.600113.4
2L58.8Low62.5Low144 Ų144119.7 Ų119.775%0.75464%0.64SS**  trans-111.23.4-175.2-70.7169.5000114.7
3Y61.4Low62.3Low200 Ų200124.1 Ų124.178%0.78465%0.65SS**SBendtrans-96.8-14.8-176.4-68.6-78.8000114.4
4L63.5Low61.9Low136 Ų136128.4 Ų128.471%0.71266%0.661SS**Hα-helixtrans-83.2-22.4-179.6-91.182.4000114.1T7 V8L4-T7 PolarHBondContact O-OG1 2.99Å; L4-V8 WeakPolarHBondContact O-CG2 3.33Å
5T66.8Low61.8Low100 Ų100126.9 Ų126.961%0.61366%0.66SS**Hα-helixtrans-82.7-25.1-178.953.70000113T9T5-T9 PolarHBondContact O-OG1 3.28Å
6S65.3Low61.4Low65 Ų65127.6 Ų127.646%0.45566%0.663SS.*Hα-helixtrans-76.9-37.9179.1-1760000112.7T9 L10S6-T9 PolarHBondContact O-N 3.44Å; S6-T9 PolarHBondContact O-OG1 3.04Å; S6-L10 PolarHBondContact O-N 3.21Å; S6-L10 VanDerWaalsContact O-N 3.14Å
7T65.4Low60.7Low76 Ų76126.1 Ų126.147%0.46666%0.663SS.*Hα-helixtrans-72.5-36.4-179.152.40000112.5L4 T9 L10 I11L4-T7 PolarHBondContact O-OG1 2.99Å; T7-T9 VanDerWaalsContact C-N 3.35Å; T7-T9 PolarHBondContact O-N 3.21Å; T7-L10 PolarHBondContact O-N 3.48Å; T7-I11 WeakPolarHBondContact O-CD1 3.28Å; T7-I11 VanDerWaalsContact O-CG1 3.32Å; T7-I11 WeakPolarHBondContact O-CG1 3.42Å; T7-I11 PolarHBondContact O-N 3.01Å
8V64.9Low60.1Low93 Ų93124.4 Ų124.456%0.56467%0.67SS**Hα-helixtrans-67.6-35.4176.7178.70000111.5L4 V12L4-V8 WeakPolarHBondContact O-CG2 3.33Å; V8-V12 WeakPolarHBondContact O-CG2 3.45Å; V8-V12 PolarHBondContact O-N 3.44Å
9T62.7Low59.6Low82 Ų82125.7 Ų125.750%0.50368%0.675SS.*Hα-helixtrans-75.5-29.217740.50000113.3T5 S6 T7 K13T5-T9 PolarHBondContact O-OG1 3.28Å; S6-T9 PolarHBondContact O-N 3.44Å; S6-T9 PolarHBondContact O-OG1 3.04Å; T7-T9 VanDerWaalsContact C-N 3.35Å; T7-T9 PolarHBondContact O-N 3.21Å; T9-K13 PolarHBondContact O-N 2.96Å
10L61Low58.7Low108 Ų108122.5 Ų122.557%0.56567%0.672SS**Hα-helixtrans-68.4-36.6171.9-85.6163.2000112.5S6 T7 K13 F14S6-L10 PolarHBondContact O-N 3.21Å; S6-L10 VanDerWaalsContact O-N 3.14Å; T7-L10 PolarHBondContact O-N 3.48Å; L10-K13 PolarHBondContact O-N 3.49Å; L10-F14 PolarHBondContact O-N 3.21Å
11I62.8Low58Low113 Ų113122.9 Ų122.958%0.57968%0.679SS**Hα-helixtrans-69-39.7179.3-66.7164.8000111.2T7 K13 F14 V15T7-I11 WeakPolarHBondContact O-CD1 3.28Å; T7-I11 VanDerWaalsContact O-CG1 3.32Å; T7-I11 WeakPolarHBondContact O-CG1 3.42Å; T7-I11 PolarHBondContact O-N 3.01Å; I11-K13 VanDerWaalsContact C-N 3.34Å; I11-K13 PolarHBondContact O-N 3.22Å; I11-F14 PolarHBondContact O-N 3.06Å; I11-V15 WeakPolarHBondContact O-CG2 3.34Å
12V60.3Low57.1Low96 Ų96119.4 Ų119.458%0.58266%0.662SS**Hα-helixtrans-71.1-28.2179.7-178.10000112.2V8V8-V12 WeakPolarHBondContact O-CG2 3.45Å; V8-V12 PolarHBondContact O-N 3.44Å
13K59.8Low56.3Low177 Ų177117 Ų11777%0.7766%0.657SS**Hα-helixtrans-78.6-15.7176.9-78.7179176.2172.20114.5T9 L10 I11T9-K13 PolarHBondContact O-N 2.96Å; L10-K13 PolarHBondContact O-N 3.49Å; I11-K13 VanDerWaalsContact C-N 3.34Å; I11-K13 PolarHBondContact O-N 3.22Å
14F56.4Low55.3Low184 Ų184111.5 Ų111.581%0.80765%0.647SS**Hα-helixtrans-100.7-8.1-176.1-127.9-93.9000114.4L10 I11L10-F14 PolarHBondContact O-N 3.21Å; I11-F14 PolarHBondContact O-N 3.06Å
15V59.6Low54.2Low107 Ų107109.6 Ų109.665%0.64865%0.645SS**SBendtrans-106.310.6-172-178.80000113.2I11 P17I11-V15 WeakPolarHBondContact O-CG2 3.34Å; V15-P17 WeakPolarHBondContact O-CD 3.26Å
16I55.6Low53.1Low138 Ų138111.6 Ų111.671%0.70865%0.652SS**  trans-106.291.5170-54176000107.6A18I16-A18 PolarHBondContact O-N 3.41Å
17P50.7Low52.1Low102 Ų102118.8 Ų118.866%0.66267%0.669SS**  trans-64122.2163.628.7-29.6000106.2V15 I19V15-P17 WeakPolarHBondContact O-CD 3.26Å; P17-I19 VanDerWaalsContact C-N 3.28Å; P17-I19 PolarHBondContact O-N 3.04Å
18A50Low51Low95 Ų95122.6 Ų122.679%0.78568%0.679SS**  trans-5698.5166.800000107.6I16 G20I16-A18 PolarHBondContact O-N 3.41Å; A18-G20 PolarHBondContact O-N 3.19Å
19I50.7Low50.1Low149 Ų149129.7 Ų129.776%0.76470%0.696SS**  trans-62.892.6162-64.9168.2000104P17 T21P17-I19 VanDerWaalsContact C-N 3.28Å; P17-I19 PolarHBondContact O-N 3.04Å; I19-T21 PolarHBondContact O-N 3.32Å
20G41.3Very low49.5Very low61 Ų61135 Ų13563%0.62971%0.707SS**  trans-57.1106173.700000107.2A18 M22A18-G20 PolarHBondContact O-N 3.19Å; G20-M22 PolarHBondContact O-N 3.22Å
21T43.5Very low48.9Very low131 Ų131140 Ų14080%0.80472%0.718SS**  trans-67.385.2167.346.50000106.9I19 S23I19-T21 PolarHBondContact O-N 3.32Å; T21-S23 PolarHBondContact O-N 3.04Å
22M38.3Very low48.4Very low151 Ų151138.9 Ų138.974%0.74471%0.713SS**  trans-68.681.9161.5-79.5-170.567.300107.4G20 C24G20-M22 PolarHBondContact O-N 3.22Å; M22-C24 PolarHBondContact O-N 3.2Å
23S42.5Very low48.3Very low94 Ų94140.4 Ų140.466%0.65772%0.718SS**  trans-63.693.4160.7134.40000106.4T21 S25T21-S23 PolarHBondContact O-N 3.04Å; S23-S25 PolarHBondContact O-N 3.46Å
24C39.8Very low48.3Very low84 Ų84136.9 Ų136.957%0.56871%0.708SS**  trans-65.285.3158.8-69.30000106.5M22 N26M22-C24 PolarHBondContact O-N 3.2Å; C24-N26 PolarHBondContact O-N 2.85Å; C24-N26 VanDerWaalsContact O-N 3.1Å
25S39.9Very low48.4Very low96 Ų96132.3 Ų132.367%0.67169%0.692SS**  trans-59.5117.2-179.935.10000109.2S23 R27S23-S25 PolarHBondContact O-N 3.46Å; S25-R27 PolarHBondContact O-N 3.13Å; S25-R27 VanDerWaalsContact O-N 3.14Å
26N44.5Very low48.5Very low141 Ų141132.6 Ų132.675%0.75469%0.69SS**  trans-55.8114.5-178.6-144.2-0.5000108.8C24 F28C24-N26 PolarHBondContact O-N 2.85Å; C24-N26 VanDerWaalsContact O-N 3.1Å; N26-F28 PolarHBondContact O-N 2.93Å
27R44.7Very low49Very low216 Ų216127.5 Ų127.582%0.81566%0.664SS**SBendtrans-78.912.8-168.2-127.3-174.5-57.8-140.8-7.2114.2S25S25-R27 PolarHBondContact O-N 3.13Å; S25-R27 VanDerWaalsContact O-N 3.14Å
28F41.2Very low49.9Very low156 Ų156128.6 Ų128.668%0.68466%0.66SS**  trans-12394.9172.6-153.2-95.7000105.7N26 R30N26-F28 PolarHBondContact O-N 2.93Å; F28-R30 HydrophobicContact CD1-CG 3.75Å; F28-R30 HydrophobicContact CE1-CG 4.2Å; F28-R30 PolarHBondContact O-N 3.42Å
29R46.2Very low51.1Low243 Ų243129.6 Ų129.692%0.91765%0.652SS**  trans-61.689.2160.8-81-176.6170.5157.9-4105.6R31R29-R31 PolarHBondContact O-N 3.03Å
30R51.2Low52.1Low193 Ų193127.1 Ų127.173%0.72863%0.634SS**PPolyproline II helixtrans-58.7119.9154.9-71.7-164.7177.9-165.21104F28 N32F28-R30 HydrophobicContact CD1-CG 3.75Å; F28-R30 HydrophobicContact CE1-CG 4.2Å; F28-R30 PolarHBondContact O-N 3.42Å; R30-N32 PolarHBondContact O-N 3.43Å
31R47.9Very low54Low214 Ų214125.2 Ų125.281%0.80861%0.609SS**PPolyproline II helixtrans-53.2117.4159.9-86.4-173.7-172.2-175.50.2104.8R29R29-R31 PolarHBondContact O-N 3.03Å
32N52.4Low55.8Low89 Ų89128.2 Ų128.248%0.47661%0.606SS.*PPolyproline II helixtrans-76.8140.1167.8-67.9-44.4000105R30 D34 D35R30-N32 PolarHBondContact O-N 3.43Å; N32-D34 HydrophobicContact CB-CB 4.28Å; N32-D34 PolarHBondContact O-N 3.32Å; N32-D35 PolarHBondContact N-OD2 2.97Å; N32-D35 VanDerWaalsContact N-OD2 3.16Å; N32-D35 WeakPolarHBondContact O-CB 3.44Å; N32-D35 PolarHBondContact O-N 3.08Å
33D57.8Low57.7Low127 Ų127124.1 Ų124.168%0.67960%0.602SS**G310 helixtrans-57.4-17.8174.9-65.9-34.7000111.2D35D33-D35 VanDerWaalsContact C-N 3.31Å; D33-D35 PolarHBondContact O-N 2.93Å
34D60.1Low59.9Low104 Ų104120.9 Ų120.956%0.55658%0.581SS**G310 helixtrans-67.4-22.2172.8-51.1-44.4000114N32 D36 D37N32-D34 HydrophobicContact CB-CB 4.28Å; N32-D34 PolarHBondContact O-N 3.32Å; D34-D36 PolarHBondContact O-N 3.48Å; D34-D37 WeakPolarHBondContact O-CB 3.43Å; D34-D37 PolarHBondContact O-N 3Å
35D59.2Low62.1Low88 Ų88126.3 Ų126.347%0.47160%0.595SS.*G310 helixtrans-63.6-26.4179.3-69.2-42000111N32 D33 D37N32-D35 PolarHBondContact N-OD2 2.97Å; N32-D35 VanDerWaalsContact N-OD2 3.16Å; N32-D35 WeakPolarHBondContact O-CB 3.44Å; N32-D35 PolarHBondContact O-N 3.08Å; D33-D35 VanDerWaalsContact C-N 3.31Å; D33-D35 PolarHBondContact O-N 2.93Å; D35-D37 VanDerWaalsContact C-N 3.3Å
36D61.4Low64.6Low113 Ų113125.5 Ų125.560%0.60459%0.586SS**G310 helixtrans-78.1-12.3175.8-64.5-32.9000112.5D34D34-D36 PolarHBondContact O-N 3.48Å
37D66Low66.9Low30 Ų30122.3 Ų122.316%0.1658%0.579CS.*G310 helixtrans-80.1-22.3176.4-70-26.6000112.8D34 D35 D39 Y40 L41 K57D34-D37 WeakPolarHBondContact O-CB 3.43Å; D34-D37 PolarHBondContact O-N 3Å; D35-D37 VanDerWaalsContact C-N 3.3Å; D37-D39 PolarHBondContact O-N 3.01Å; D37-Y40 PolarHBondContact O-N 3.37Å; D37-L41 HydrophobicContact CB-CD1 4.16Å; D37-L41 WeakPolarHBondContact O-CB 3.48Å; D37-L41 VanDerWaalsContact O-CG 3.28Å; D37-L41 WeakPolarHBondContact O-CG 3.24Å; D37-L41 PolarHBondContact O-N 3.31Å; D37-K57 IonicContact OD1-NZ 3.44Å; D37-K57 PolarHBondContact OD1-NZ 2.86Å
38E69.2Low69.2Low125 Ų125115.8 Ų115.858%0.58457%0.566SS**Hα-helixtrans-59.7-35.5-175.5-69.8-65.1165.200112.3R42E38-R42 PolarHBondContact O-N 2.88Å
39D75.5Confident71.6Confident116 Ų116110.6 Ų110.662%0.6255%0.546SS*.Hα-helixtrans-74-31.5176.8-77.4-21.8000112.7D37 R42D37-D39 PolarHBondContact O-N 3.01Å; D39-R42 IonicContact OD1-CZ 3.65Å; D39-R42 IonicContact OD1-NE 3.69Å; D39-R42 IonicContact OD1-NH2 3.33Å; D39-R42 PolarHBondContact OD1-NH2 3.1Å
40Y71.9Confident73.8Confident97 Ų97100.8 Ų100.838%0.3851%0.513SS..Hα-helixtrans-75.8-29175.9-163.2-93.7000112D37 L53 K57D37-Y40 PolarHBondContact O-N 3.37Å; Y40-L53 HydrophobicContact CD1-CB 4.02Å; Y40-L53 HydrophobicContact CE1-CB 3.77Å; Y40-L53 HydrophobicContact CE1-CD2 3.98Å; Y40-L53 HydrophobicContact CE1-CG 4.41Å; Y40-L53 VanDerWaalsContact CE1-O 3.25Å; Y40-L53 WeakPolarHBondContact CE1-O 3.42Å; Y40-K57 HydrophobicContact CE1-CB 4.18Å
41L81.1Confident75.8Confident21 Ų2197.6 Ų97.611%0.1151%0.506CS..Hα-helixtrans-85.9-9.4-178.9-67.7175.9000114.2D37 G43 A44 V50 L53 R54D37-L41 HydrophobicContact CB-CD1 4.16Å; D37-L41 WeakPolarHBondContact O-CB 3.48Å; D37-L41 VanDerWaalsContact O-CG 3.28Å; D37-L41 WeakPolarHBondContact O-CG 3.24Å; D37-L41 PolarHBondContact O-N 3.31Å; L41-G43 PolarHBondContact O-N 3.19Å; L41-A44 WeakPolarHBondContact O-CB 3.43Å; L41-A44 PolarHBondContact O-N 3.23Å; L41-V50 HydrophobicContact CD1-CG1 4.36Å; L41-V50 HydrophobicContact CD2-CB 4.42Å; L41-V50 HydrophobicContact CD2-CG1 3.84Å; L41-L53 HydrophobicContact CD2-CB 4.11Å; L41-L53 HydrophobicContact CD2-CD1 4.36Å; L41-R54 HydrophobicContact CD2-CG 4.2Å
42R80.8Confident77.9Confident195 Ų19592.6 Ų92.674%0.73649%0.487SS*.THydrogen-bonded Turntrans-56.9-20.5-174.5-162.2177.9-72.6-1044.4114.8E38 D39E38-R42 PolarHBondContact O-N 2.88Å; D39-R42 IonicContact OD1-CZ 3.65Å; D39-R42 IonicContact OD1-NE 3.69Å; D39-R42 IonicContact OD1-NH2 3.33Å; D39-R42 PolarHBondContact OD1-NH2 3.1Å
43G79.1Confident79.8Confident64 Ų6489.3 Ų89.366%0.6647%0.47SS*.THydrogen-bonded Turntrans-94.2-5.7177.400000115.9L41L41-G43 PolarHBondContact O-N 3.19Å
44A87.2Confident81.2Confident26 Ų2689.3 Ų89.322%0.21546%0.46CS..  trans-76.4132.9-179.200000111.8L41 D49 V50 L53L41-A44 WeakPolarHBondContact O-CB 3.43Å; L41-A44 PolarHBondContact O-N 3.23Å; A44-D49 HydrophobicContact CB-CB 3.92Å; A44-V50 HydrophobicContact CB-CB 4.41Å; A44-V50 HydrophobicContact CB-CG2 3.52Å; A44-L53 HydrophobicContact CB-CD1 3.91Å
45K86.6Confident82.7Confident199 Ų19989.2 Ų89.287%0.86546%0.459SS*.  trans-108.1-30.9177.5-62.7179.6-177177.40112.2D49K45-D49 PolarHBondContact N-OD2 3.42Å
46T93.4Very high84.2Confident79 Ų7988.9 Ų88.949%0.48546%0.455SS..SBendtrans-115.8155.2-178.2-43.10000111.1S48 D49 V50T46-S48 PolarHBondContact O-N 3.11Å; T46-D49 VanDerWaalsContact CB-OD2 3.27Å; T46-D49 WeakPolarHBondContact CB-OD2 3.47Å; T46-D49 PolarHBondContact N-OD2 3.49Å; T46-D49 WeakPolarHBondContact O-CA 3.49Å; T46-D49 WeakPolarHBondContact O-CB 3.37Å; T46-D49 PolarHBondContact O-N 3.48Å; T46-D49 PolarHBondContact OG1-OD2 2.99Å; T46-D49 VanDerWaalsContact OG1-OD2 3.11Å; T46-V50 PolarHBondContact O-N 3.22Å; T46-V50 VanDerWaalsContact O-N 3.17Å
47A92.2Very high85.4Confident73 Ų7387.2 Ų87.260%0.60344%0.442SS*.Hα-helixtrans-55.7-36.7173.600000112.6D49 V50 Q51A47-D49 VanDerWaalsContact C-N 3.31Å; A47-D49 PolarHBondContact O-N 3.28Å; A47-V50 PolarHBondContact O-N 3.17Å; A47-Q51 WeakPolarHBondContact O-CG 3.36Å; A47-Q51 PolarHBondContact O-N 3.38Å
48S93.7Very high86.4Confident79 Ų7990.2 Ų90.255%0.55246%0.458SS*.Hα-helixtrans-64.7-34.2173.8-49.10000112.6T46 Q51 R52T46-S48 PolarHBondContact O-N 3.11Å; S48-Q51 PolarHBondContact O-N 3.21Å; S48-R52 WeakPolarHBondContact O-CB 3.25Å; S48-R52 PolarHBondContact O-N 2.9Å
49D91.4Very high87.3Confident47 Ų4789.7 Ų89.725%0.25146%0.459SS..Hα-helixtrans-68.8-39.1177.7-60.9-38.6000111.1A44 K45 T46 A47 R52 L53A44-D49 HydrophobicContact CB-CB 3.92Å; K45-D49 PolarHBondContact N-OD2 3.42Å; T46-D49 VanDerWaalsContact CB-OD2 3.27Å; T46-D49 WeakPolarHBondContact CB-OD2 3.47Å; T46-D49 PolarHBondContact N-OD2 3.49Å; T46-D49 WeakPolarHBondContact O-CA 3.49Å; T46-D49 WeakPolarHBondContact O-CB 3.37Å; T46-D49 PolarHBondContact O-N 3.48Å; T46-D49 PolarHBondContact OG1-OD2 2.99Å; T46-D49 VanDerWaalsContact OG1-OD2 3.11Å; A47-D49 VanDerWaalsContact C-N 3.31Å; A47-D49 PolarHBondContact O-N 3.28Å; D49-R52 PolarHBondContact O-N 3.48Å; D49-L53 WeakPolarHBondContact O-CB 3.44Å; D49-L53 VanDerWaalsContact O-CG 3.3Å; D49-L53 WeakPolarHBondContact O-CG 3.36Å; D49-L53 PolarHBondContact O-N 3.33Å
50V92.1Very high88Confident38 Ų3890.9 Ų90.923%0.2346%0.46CS..Hα-helixtrans-60.2-46.9174.4175.10000110.6L41 A44 T46 A47 L53 R54L41-V50 HydrophobicContact CD1-CG1 4.36Å; L41-V50 HydrophobicContact CD2-CB 4.42Å; L41-V50 HydrophobicContact CD2-CG1 3.84Å; A44-V50 HydrophobicContact CB-CB 4.41Å; A44-V50 HydrophobicContact CB-CG2 3.52Å; T46-V50 PolarHBondContact O-N 3.22Å; T46-V50 VanDerWaalsContact O-N 3.17Å; A47-V50 PolarHBondContact O-N 3.17Å; V50-L53 PolarHBondContact O-N 2.88Å; V50-R54 WeakPolarHBondContact O-CG 3.47Å; V50-R54 PolarHBondContact O-N 2.94Å
51Q92.2Very high88.8Confident125 Ų12589.4 Ų89.458%0.58446%0.459SS*.Hα-helixtrans-63.9-44.4177.8-68.9176.32.500111.5A47 S48 L53 R54 L55A47-Q51 WeakPolarHBondContact O-CG 3.36Å; A47-Q51 PolarHBondContact O-N 3.38Å; S48-Q51 PolarHBondContact O-N 3.21Å; Q51-L53 PolarHBondContact O-N 2.96Å; Q51-R54 PolarHBondContact O-N 3.36Å; Q51-L55 WeakPolarHBondContact O-CG 3.42Å; Q51-L55 PolarHBondContact O-N 2.68Å
52R92.4Very high89.2Confident109 Ų10994.7 Ų94.741%0.41149%0.486SS..Hα-helixtrans-57.4-48.8176.4-178.5-174.258716.5111.5S48 D49 L55 E56S48-R52 WeakPolarHBondContact O-CB 3.25Å; S48-R52 PolarHBondContact O-N 2.9Å; D49-R52 PolarHBondContact O-N 3.48Å; R52-L55 WeakPolarHBondContact O-CB 3.34Å; R52-L55 PolarHBondContact O-N 2.93Å; R52-E56 WeakPolarHBondContact CG-OE1 3.34Å; R52-E56 IonicContact CZ-OE1 3.2Å; R52-E56 IonicContact NH1-OE1 2.81Å; R52-E56 PolarHBondContact NH1-OE1 3.36Å; R52-E56 IonicContact NH1-OE2 3.34Å; R52-E56 PolarHBondContact NH1-OE2 2.94Å; R52-E56 WeakPolarHBondContact O-CG 3.49Å; R52-E56 PolarHBondContact O-N 3.29Å
53L91.5Very high89.6Confident21 Ų2193.1 Ų93.111%0.1149%0.492CS..Hα-helixtrans-62.2-44.1178.9-72.2175.7000111.9Y40 L41 A44 D49 V50 Q51 L55 E56 K57Y40-L53 HydrophobicContact CD1-CB 4.02Å; Y40-L53 HydrophobicContact CE1-CB 3.77Å; Y40-L53 HydrophobicContact CE1-CD2 3.98Å; Y40-L53 HydrophobicContact CE1-CG 4.41Å; Y40-L53 VanDerWaalsContact CE1-O 3.25Å; Y40-L53 WeakPolarHBondContact CE1-O 3.42Å; L41-L53 HydrophobicContact CD2-CB 4.11Å; L41-L53 HydrophobicContact CD2-CD1 4.36Å; A44-L53 HydrophobicContact CB-CD1 3.91Å; D49-L53 WeakPolarHBondContact O-CB 3.44Å; D49-L53 VanDerWaalsContact O-CG 3.3Å; D49-L53 WeakPolarHBondContact O-CG 3.36Å; D49-L53 PolarHBondContact O-N 3.33Å; V50-L53 PolarHBondContact O-N 2.88Å; Q51-L53 PolarHBondContact O-N 2.96Å; L53-L55 VanDerWaalsContact C-N 3.29Å; L53-L55 PolarHBondContact O-N 3.14Å; L53-E56 PolarHBondContact O-N 2.92Å; L53-K57 PolarHBondContact O-N 3.44Å
54R89Confident90Very high126 Ų12696.3 Ų96.348%0.47549%0.488SS..Hα-helixtrans-60.5-39.4175.1-72.2176.1179.7163.80.8112.2L41 V50 Q51 K57 L58L41-R54 HydrophobicContact CD2-CG 4.2Å; V50-R54 WeakPolarHBondContact O-CG 3.47Å; V50-R54 PolarHBondContact O-N 2.94Å; Q51-R54 PolarHBondContact O-N 3.36Å; R54-K57 PolarHBondContact O-N 3.24Å; R54-L58 WeakPolarHBondContact O-CG 3.32Å; R54-L58 PolarHBondContact O-N 3.48Å; R54-L58 VanDerWaalsContact O-N 3.11Å
55L90.1Very high89.9Confident102 Ų102100.7 Ų100.753%0.53451%0.514SS..Hα-helixtrans-65.8-43.3174.7-71.9173.7000111.9Q51 R52 L53 K57 L58 L59Q51-L55 WeakPolarHBondContact O-CG 3.42Å; Q51-L55 PolarHBondContact O-N 2.68Å; R52-L55 WeakPolarHBondContact O-CB 3.34Å; R52-L55 PolarHBondContact O-N 2.93Å; L53-L55 VanDerWaalsContact C-N 3.29Å; L53-L55 PolarHBondContact O-N 3.14Å; L55-K57 VanDerWaalsContact C-N 3.31Å; L55-K57 PolarHBondContact O-N 3.27Å; L55-L58 PolarHBondContact O-N 3.05Å; L55-L59 WeakPolarHBondContact O-CB 3.48Å; L55-L59 VanDerWaalsContact O-CG 3.26Å; L55-L59 WeakPolarHBondContact O-CG 3.41Å; L55-L59 PolarHBondContact O-N 3.31Å
56E90.6Very high89.8Confident81 Ų8195.9 Ų95.938%0.37950%0.501SS..Hα-helixtrans-58-43.4175.7-75.8169.9-17200111.7R52 L53 L58 L59 E60R52-E56 WeakPolarHBondContact CG-OE1 3.34Å; R52-E56 IonicContact CZ-OE1 3.2Å; R52-E56 IonicContact NH1-OE1 2.81Å; R52-E56 PolarHBondContact NH1-OE1 3.36Å; R52-E56 IonicContact NH1-OE2 3.34Å; R52-E56 PolarHBondContact NH1-OE2 2.94Å; R52-E56 WeakPolarHBondContact O-CG 3.49Å; R52-E56 PolarHBondContact O-N 3.29Å; L53-E56 PolarHBondContact O-N 2.92Å; E56-L58 PolarHBondContact O-N 3.35Å; E56-L59 PolarHBondContact O-N 2.85Å; E56-E60 PolarHBondContact O-N 3.28Å
57K87.1Confident89.2Confident79 Ų79101 Ų10134%0.34352%0.517SS..Hα-helixtrans-61.6-41.6174.8-176.8174.7-179.8176.10112.7D37 Y40 L53 R54 L55D37-K57 IonicContact OD1-NZ 3.44Å; D37-K57 PolarHBondContact OD1-NZ 2.86Å; Y40-K57 HydrophobicContact CE1-CB 4.18Å; L53-K57 PolarHBondContact O-N 3.44Å; R54-K57 PolarHBondContact O-N 3.24Å; L55-K57 VanDerWaalsContact C-N 3.31Å; L55-K57 PolarHBondContact O-N 3.27Å
58L86.4Confident88.9Confident92 Ų92104.3 Ų104.348%0.48252%0.523SS..Hα-helixtrans-68-37.4177-72.2171000111.9R54 L55 E56 E60 V66R54-L58 WeakPolarHBondContact O-CG 3.32Å; R54-L58 PolarHBondContact O-N 3.48Å; R54-L58 VanDerWaalsContact O-N 3.11Å; L55-L58 PolarHBondContact O-N 3.05Å; E56-L58 PolarHBondContact O-N 3.35Å; L58-E60 VanDerWaalsContact C-N 3.35Å; L58-V66 HydrophobicContact CD2-CG2 4.16Å
59L90.1Very high88.4Confident115 Ų115105.9 Ų105.960%0.60253%0.531SS*.Hα-helixtrans-74.3-22.1-179.9-70.2173.1000113.4L55 E56 N61 I62L55-L59 WeakPolarHBondContact O-CB 3.48Å; L55-L59 VanDerWaalsContact O-CG 3.26Å; L55-L59 WeakPolarHBondContact O-CG 3.41Å; L55-L59 PolarHBondContact O-N 3.31Å; E56-L59 PolarHBondContact O-N 2.85Å; L59-N61 PolarHBondContact O-N 3.19Å; L59-I62 WeakPolarHBondContact O-CG1 3.5Å
60E89Confident88.2Confident141 Ų141112.1 Ų112.166%0.65956%0.559SS**THydrogen-bonded Turntrans-58.2-30.3175-171.5178.1-168.700112.2E56 L58E56-E60 PolarHBondContact O-N 3.28Å; L58-E60 VanDerWaalsContact C-N 3.35Å
61N88.4Confident88Confident66 Ų66117.2 Ų117.235%0.35359%0.589SS.*THydrogen-bonded Turntrans-13674.1179.9-63.4-86.7000111.5L59 D63 K64L59-N61 PolarHBondContact O-N 3.19Å; N61-D63 PolarHBondContact O-N 2.74Å; N61-K64 HydrophobicContact CB-CB 4.33Å; N61-K64 HydrophobicContact CB-CD 3.57Å; N61-K64 HydrophobicContact CB-CG 3.91Å; N61-K64 PolarHBondContact ND2-NZ 3.15Å; N61-K64 PolarHBondContact O-N 3.39Å; N61-K64 VanDerWaalsContact O-N 3.1Å; N61-K64 WeakPolarHBondContact OD1-CE 3.3Å; N61-K64 PolarHBondContact OD1-NZ 2.57Å
62I89.1Confident87.7Confident132 Ų132119.1 Ų119.168%0.67760%0.598SS**THydrogen-bonded Turntrans-58.6-31.9-177.7-55.5177.7000112.3L59 K64L59-I62 WeakPolarHBondContact O-CG1 3.5Å; I62-K64 VanDerWaalsContact C-N 3.25Å; I62-K64 PolarHBondContact O-N 3.2Å
63D90Very high87.5Confident161 Ų161119.7 Ų119.786%0.86162%0.616SS**THydrogen-bonded Turntrans-71.7-16.1-178.7-59.4-39.6000113.7N61N61-D63 PolarHBondContact O-N 2.74Å
64K87.7Confident87.3Confident131 Ų131123.5 Ų123.557%0.5763%0.633SS**SBendtrans-81.3121.4179.2-68177.8-169.91640109.2N61 I62 V66N61-K64 HydrophobicContact CB-CB 4.33Å; N61-K64 HydrophobicContact CB-CD 3.57Å; N61-K64 HydrophobicContact CB-CG 3.91Å; N61-K64 PolarHBondContact ND2-NZ 3.15Å; N61-K64 PolarHBondContact O-N 3.39Å; N61-K64 VanDerWaalsContact O-N 3.1Å; N61-K64 WeakPolarHBondContact OD1-CE 3.3Å; N61-K64 PolarHBondContact OD1-NZ 2.57Å; I62-K64 VanDerWaalsContact C-N 3.25Å; I62-K64 PolarHBondContact O-N 3.2Å; K64-V66 PolarHBondContact O-N 3.42Å
65P84.6Confident87.3Confident118 Ų118124 Ų12477%0.76664%0.635SS**PPolyproline II helixtrans-64.7133.117826.5-33.6000110.6K67P65-K67 PolarHBondContact O-N 3.06Å
66V83.7Confident87.4Confident98 Ų98126.4 Ų126.459%0.59464%0.642SS**PPolyproline II helixtrans-68.4120175.8-177.60000109.1L58 K64 I68L58-V66 HydrophobicContact CD2-CG2 4.16Å; K64-V66 PolarHBondContact O-N 3.42Å; V66-I68 HydrophobicContact CG1-CG1 4.38Å; V66-I68 PolarHBondContact O-N 3.18Å; V66-I68 VanDerWaalsContact O-N 3.15Å
67K81.3Confident87.4Confident187 Ų187124 Ų12481%0.81363%0.633SS**  trans-79.993.1174.8-64.5-180-175.2175.10109.5P65 P69P65-K67 PolarHBondContact O-N 3.06Å; K67-P69 WeakPolarHBondContact O-CD 3.48Å
68I85.9Confident87.6Confident143 Ų143127.4 Ų127.473%0.73365%0.65SS**PPolyproline II helixtrans-75.5118.8167.8-58.5173.4000106.8V66 E70V66-I68 HydrophobicContact CG1-CG1 4.38Å; V66-I68 PolarHBondContact O-N 3.18Å; V66-I68 VanDerWaalsContact O-N 3.15Å; I68-E70 PolarHBondContact O-N 3.47Å
69P83.6Confident87.8Confident111 Ų111128.5 Ų128.572%0.72166%0.663SS**PPolyproline II helixtrans-63.7129.8-179.825.9-32.8000109.5K67K67-P69 WeakPolarHBondContact O-CD 3.48Å
70E87.1Confident87.9Confident178 Ų178128.6 Ų128.683%0.83267%0.67SS**PPolyproline II helixtrans-63.7153.1168-64.9178.4-174.300109.6I68 Q72I68-E70 PolarHBondContact O-N 3.47Å; E70-Q72 PolarHBondContact O-N 3.48Å
71V88.4Confident88.1Confident145 Ų145126.4 Ų126.488%0.87967%0.669SS**PPolyproline II helixtrans-54.9118.3177.8179.20000108.5
72Q86.3Confident88.4Confident165 Ų165131.1 Ų131.177%0.77169%0.688SS**PPolyproline II helixtrans-61.8134.4-178.9-65.9-168.5200109.3E70 E74E70-Q72 PolarHBondContact O-N 3.48Å; Q72-E74 PolarHBondContact O-N 3.17Å
73P87.1Confident88.6Confident122 Ų122131.5 Ų131.579%0.79269%0.685SS**PPolyproline II helixtrans-60.2137.217626.1-33.5000108.8W75P73-W75 PolarHBondContact O-N 3.37Å
74E87.7Confident88.7Confident100 Ų100128 Ų12847%0.46767%0.67SS.*PPolyproline II helixtrans-57.8135.7174.6-172.7176153.800109.7Q72 K76 K122Q72-E74 PolarHBondContact O-N 3.17Å; E74-K76 PolarHBondContact O-N 3.24Å; E74-K122 IonicContact OE1-NZ 2.57Å; E74-K122 PolarHBondContact OE1-NZ 3.45Å; E74-K122 IonicContact OE2-NZ 2.66Å; E74-K122 PolarHBondContact OE2-NZ 2.92Å
75W89.5Confident88.9Confident136 Ų136132.8 Ų132.852%0.51568%0.684SS.*PPolyproline II helixtrans-60.8130.6174.7176.787.7000109.8P73 E111 Y115P73-W75 PolarHBondContact O-N 3.37Å; W75-E111 HydrophobicContact CH2-CB 4.05Å; W75-E111 HydrophobicContact CZ2-CB 4.49Å; W75-Y115 HydrophobicContact CE3-CD2 4.37Å; W75-Y115 HydrophobicContact CZ3-CD2 4.23Å
76K91.6Very high89.1Confident154 Ų154133 Ų13367%0.6768%0.679SS**  trans-132.8144178.161.9-175.5179.3-176.80109.8E74 Y115E74-K76 PolarHBondContact O-N 3.24Å; K76-Y115 HydrophobicContact CB-CE2 4.33Å
77P91.7Very high89.3Confident31 Ų31133.7 Ų133.720%0.20168%0.683CS.*PPolyproline II helixtrans-60.2140.9173.825.9-33.8000109.8R112 Y115P77-R112 HydrophobicContact CB-CB 4.36Å; P77-R112 HydrophobicContact CG-CG 4.33Å; P77-Y115 VanDerWaalsContact CD-CD1 3.45Å; P77-Y115 HydrophobicContact CG-CD1 3.68Å; P77-Y115 HydrophobicContact CG-CE1 4.32Å; P77-Y115 HydrophobicContact CG-CG 3.87Å
78E89.8Confident89.6Confident150 Ų150129.2 Ų129.270%0.70167%0.671SS**PPolyproline II helixtrans-60.8138.7175.1-67.2175.4172.600110K108E78-K108 IonicContact OE2-NZ 3.77Å; E78-K108 PolarHBondContact OE2-NZ 3.11Å
79P91.8Very high89.8Confident115 Ų115124.9 Ų124.975%0.74766%0.661SS**PPolyproline II helixtrans-61.2144.1173.327-33.4000109.9
80P91.8Very high89.9Confident116 Ų116126.3 Ų126.375%0.75367%0.674SS**PPolyproline II helixtrans-61.1143.8176.426.6-33.4000110E82P80-E82 PolarHBondContact O-N 2.95Å
81P93.2Very high90.1Very high96 Ų96123.8 Ų123.862%0.62368%0.676SS**PPolyproline II helixtrans-62.1138.8175.126.6-33.4000110.1F83 V84P81-F83 PolarHBondContact O-N 3.49Å; P81-V84 HydrophobicContact CG-CG2 4.49Å
82E94.8Very high90.1Very high165 Ų165119.4 Ų119.477%0.77166%0.655SS**SBendtrans-63.1-41.9-177.6-168.4-173.6-178.500112.2P80P80-E82 PolarHBondContact O-N 2.95Å
83F93.9Very high90.3Very high140 Ų140114.8 Ų114.861%0.61465%0.652SS**  trans-132.8126.5-180-58.8-70.5000111.5P81P81-F83 PolarHBondContact O-N 3.49Å
84V91.2Very high90.5Very high88 Ų88113.8 Ų113.853%0.53365%0.654SS.*  trans-91.1114.2167.2-176.90000107.8P81 N86 V87P81-V84 HydrophobicContact CG-CG2 4.49Å; V84-N86 WeakPolarHBondContact CG1-OD1 3.34Å; V84-V87 HydrophobicContact CB-CG2 3.9Å; V84-V87 HydrophobicContact CG1-CG2 3.73Å
85R92.3Very high90.6Very high231 Ų231111.3 Ų111.387%0.87266%0.655SS**THydrogen-bonded Turntrans-81.2-21.4-172.3-64.1-177.9-178.582.20.8113.9
86N89.5Confident90.7Very high122 Ų122110.7 Ų110.765%0.65267%0.671SS**THydrogen-bonded Turntrans-111.934.7-167.961.1-42.3000113V84 V88V84-N86 WeakPolarHBondContact CG1-OD1 3.34Å; N86-V88 PolarHBondContact O-N 2.71Å
87V87.4Confident90.7Very high112 Ų112105 Ų10568%0.67966%0.657SS**PPolyproline II helixtrans-72.2117.8176.3-176.60000108.9V84V84-V87 HydrophobicContact CB-CG2 3.9Å; V84-V87 HydrophobicContact CG1-CG2 3.73Å
88V87.1Confident90.7Very high94 Ų94107.8 Ų107.857%0.5767%0.667SS**PPolyproline II helixtrans-72.4154.7172.6-64.70000110.1N86 A92N86-V88 PolarHBondContact O-N 2.71Å; V88-A92 HydrophobicContact CB-CB 4.11Å; V88-A92 HydrophobicContact CG2-CB 4.14Å
89G89.7Confident91Very high51 Ų51108 Ų10853%0.52666%0.663SS.*PPolyproline II helixtrans-54.6149.1-177.200000112.8S91 A92G89-S91 PolarHBondContact O-N 2.92Å; G89-S91 VanDerWaalsContact O-N 3.1Å; G89-A92 WeakPolarHBondContact O-CB 3.43Å; G89-A92 PolarHBondContact O-N 3.26Å
90S86.6Confident91.2Very high141 Ų141107.5 Ų107.599%0.98665%0.65SS**THydrogen-bonded Turntrans-60.8-26.3-172.5-50.50000114.4
91S91.9Very high91.3Very high125 Ų125105.4 Ų105.487%0.87463%0.632SS**THydrogen-bonded Turntrans-97.44.417662.40000113.5G89G89-S91 PolarHBondContact O-N 2.92Å; G89-S91 VanDerWaalsContact O-N 3.1Å
92A87.4Confident91.3Very high53 Ų53106.9 Ų106.944%0.43863%0.626SS.*  trans-66.4137176.700000109.6V88 G89V88-A92 HydrophobicContact CB-CB 4.11Å; V88-A92 HydrophobicContact CG2-CB 4.14Å; G89-A92 WeakPolarHBondContact O-CB 3.43Å; G89-A92 PolarHBondContact O-N 3.26Å
93G89.8Confident91.4Very high68 Ų68106.2 Ų106.270%0.70162%0.616SS**  trans-65.1164.4177.500000112.6G95G93-G95 PolarHBondContact O-N 3.39Å; G93-G95 VanDerWaalsContact O-N 3.13Å
94A91.5Very high91.5Very high102 Ų102104.1 Ų104.184%0.84361%0.612SS**  trans-62.3114.9176.800000110.9
95G89.7Confident91.6Very high47 Ų47104.9 Ų104.949%0.48561%0.612SS.*  trans-80.7166.1174.600000112.7G93 G97 E98G93-G95 PolarHBondContact O-N 3.39Å; G93-G95 VanDerWaalsContact O-N 3.13Å; G95-G97 VanDerWaalsContact C-N 3.26Å; G95-G97 PolarHBondContact O-N 3.34Å; G95-E98 WeakPolarHBondContact O-CB 3.47Å; G95-E98 PolarHBondContact O-N 3.47Å
96S92.9Very high91.8Very high123 Ų123101.3 Ų101.386%0.8660%0.598SS**THydrogen-bonded Turntrans-64.6-26.9178.655.90000113.9
97G91.2Very high92.2Very high36 Ų36100.1 Ų100.137%0.37159%0.587SS.*THydrogen-bonded Turntrans-85.1-15.8177.200000114.7G95 Y99 H100 I101G95-G97 VanDerWaalsContact C-N 3.26Å; G95-G97 PolarHBondContact O-N 3.34Å; G97-Y99 VanDerWaalsContact C-N 3.27Å; G97-Y99 PolarHBondContact O-N 2.93Å; G97-H100 PolarHBondContact O-N 3.43Å; G97-I101 WeakPolarHBondContact O-CG1 3.2Å; G97-I101 PolarHBondContact O-N 2.95Å; G97-I101 VanDerWaalsContact O-N 3.14Å
98E91.8Very high92.5Very high88 Ų88100.2 Ų100.241%0.41158%0.579SS.*Hα-helixtrans-63.7-35.8-170.9-167.556.1-142.900111.8G95 H100 I101 Y102G95-E98 WeakPolarHBondContact O-CB 3.47Å; G95-E98 PolarHBondContact O-N 3.47Å; E98-H100 VanDerWaalsContact C-N 3.34Å; E98-H100 PolarHBondContact O-N 2.86Å; E98-I101 PolarHBondContact O-N 3.31Å; E98-Y102 PolarHBondContact O-N 3.46Å
99Y94.8Very high92.9Very high154 Ų15499.2 Ų99.260%0.60457%0.568SS**Hα-helixtrans-60.1-42.3174.5174.8-103000112.7G97 I101 Y102 R103G97-Y99 VanDerWaalsContact C-N 3.27Å; G97-Y99 PolarHBondContact O-N 2.93Å; Y99-I101 VanDerWaalsContact C-N 3.34Å; Y99-Y102 PolarHBondContact O-N 2.98Å; Y99-R103 WeakPolarHBondContact O-CB 3.27Å; Y99-R103 PolarHBondContact O-N 3.24Å
100H96.2Very high93.2Very high105 Ų10599 Ų9949%0.48656%0.558SS.*Hα-helixtrans-70.3-34.6179.8-70.4-63000111.9G97 E98 R103 N104G97-H100 PolarHBondContact O-N 3.43Å; E98-H100 VanDerWaalsContact C-N 3.34Å; E98-H100 PolarHBondContact O-N 2.86Å; H100-R103 PolarHBondContact O-N 3.18Å; H100-N104 WeakPolarHBondContact O-CB 3.3Å; H100-N104 VanDerWaalsContact O-CG 3.25Å; H100-N104 PolarHBondContact O-N 2.97Å; H100-N104 VanDerWaalsContact O-N 3.07Å; H100-N104 PolarHBondContact O-ND2 3.04Å
101I93.5Very high93.6Very high72 Ų7294.8 Ų94.837%0.36952%0.523SS..Hα-helixtrans-61.9-52.8173.3-64.2168.9000109.4G97 E98 Y99 R103 N104 I105G97-I101 WeakPolarHBondContact O-CG1 3.2Å; G97-I101 PolarHBondContact O-N 2.95Å; G97-I101 VanDerWaalsContact O-N 3.14Å; E98-I101 PolarHBondContact O-N 3.31Å; Y99-I101 VanDerWaalsContact C-N 3.34Å; I101-R103 PolarHBondContact O-N 3.29Å; I101-N104 PolarHBondContact O-N 2.93Å; I101-I105 HydrophobicContact CG2-CD1 3.61Å; I101-I105 HydrophobicContact CG2-CG1 4.38Å; I101-I105 WeakPolarHBondContact O-CG1 3.47Å; I101-I105 PolarHBondContact O-N 3.01Å
102Y94.6Very high93.8Very high127 Ų12793.5 Ų93.550%0.49850%0.499SS..Hα-helixtrans-56.7-45.9176.3172.1-106.9000112.5E98 Y99 N104 I105 R106E98-Y102 PolarHBondContact O-N 3.46Å; Y99-Y102 PolarHBondContact O-N 2.98Å; Y102-N104 VanDerWaalsContact C-N 3.31Å; Y102-N104 PolarHBondContact O-N 2.95Å; Y102-I105 PolarHBondContact O-N 3.47Å; Y102-R106 HydrophobicContact CE2-CB 4.47Å; Y102-R106 VanDerWaalsContact O-CB 3.28Å; Y102-R106 WeakPolarHBondContact O-CB 3.31Å; Y102-R106 PolarHBondContact O-N 3.03Å
103R96.6Very high94.2Very high151 Ų15195.3 Ų95.357%0.5750%0.501SS*.Hα-helixtrans-56.5-45.3178.2-177.1-175.7-179-167.62.8111.8Y99 H100 I101 K107Y99-R103 WeakPolarHBondContact O-CB 3.27Å; Y99-R103 PolarHBondContact O-N 3.24Å; H100-R103 PolarHBondContact O-N 3.18Å; I101-R103 PolarHBondContact O-N 3.29Å; R103-K107 WeakPolarHBondContact O-CB 3.49Å; R103-K107 PolarHBondContact O-N 2.93Å; R103-K107 VanDerWaalsContact O-N 3.13Å
104N95.3Very high94.5Very high97 Ų9795.2 Ų95.252%0.51948%0.482SS..Hα-helixtrans-69.4-44-179.7-70.1-15000111.6H100 I101 Y102 K107 K108H100-N104 WeakPolarHBondContact O-CB 3.3Å; H100-N104 VanDerWaalsContact O-CG 3.25Å; H100-N104 PolarHBondContact O-N 2.97Å; H100-N104 VanDerWaalsContact O-N 3.07Å; H100-N104 PolarHBondContact O-ND2 3.04Å; I101-N104 PolarHBondContact O-N 2.93Å; Y102-N104 VanDerWaalsContact C-N 3.31Å; Y102-N104 PolarHBondContact O-N 2.95Å; N104-K107 PolarHBondContact O-N 2.96Å; N104-K108 WeakPolarHBondContact O-CG 3.47Å; N104-K108 PolarHBondContact O-N 3.36Å
105I94.9Very high94.7Very high103 Ų10393.3 Ų93.353%0.52845%0.453SS..Hα-helixtrans-62.2-46.7177.4-67.7171.2000110.4I101 Y102 K107 K108 E109I101-I105 HydrophobicContact CG2-CD1 3.61Å; I101-I105 HydrophobicContact CG2-CG1 4.38Å; I101-I105 WeakPolarHBondContact O-CG1 3.47Å; I101-I105 PolarHBondContact O-N 3.01Å; Y102-I105 PolarHBondContact O-N 3.47Å; I105-K107 VanDerWaalsContact C-N 3.27Å; I105-K107 PolarHBondContact O-N 3.38Å; I105-K108 PolarHBondContact O-N 3.1Å; I105-E109 WeakPolarHBondContact O-CB 3.32Å; I105-E109 PolarHBondContact O-N 3.46Å
106R96.2Very high95Very high156 Ų15695 Ų9559%0.58945%0.45SS*.Hα-helixtrans-58.5-41.8177.8-173.6-175.7-176.6179.31.2111.5Y102 S110Y102-R106 HydrophobicContact CE2-CB 4.47Å; Y102-R106 VanDerWaalsContact O-CB 3.28Å; Y102-R106 WeakPolarHBondContact O-CB 3.31Å; Y102-R106 PolarHBondContact O-N 3.03Å; R106-S110 WeakPolarHBondContact O-CB 3.35Å; R106-S110 PolarHBondContact O-N 3.3Å; R106-S110 PolarHBondContact O-OG 2.95Å
107K96.3Very high95.2Very high98 Ų9895.3 Ų95.343%0.42644%0.438SS..Hα-helixtrans-63.6-51.2177.3-175.6-175.8167.2-158.90111.1R103 N104 I105 E109 S110 E111R103-K107 WeakPolarHBondContact O-CB 3.49Å; R103-K107 PolarHBondContact O-N 2.93Å; R103-K107 VanDerWaalsContact O-N 3.13Å; N104-K107 PolarHBondContact O-N 2.96Å; I105-K107 VanDerWaalsContact C-N 3.27Å; I105-K107 PolarHBondContact O-N 3.38Å; K107-E109 VanDerWaalsContact C-N 3.28Å; K107-E109 PolarHBondContact O-N 2.93Å; K107-S110 PolarHBondContact O-N 3.28Å; K107-E111 WeakPolarHBondContact CE-OE1 3.47Å; K107-E111 IonicContact NZ-OE1 3.53Å; K107-E111 WeakPolarHBondContact O-CB 3.46Å; K107-E111 WeakPolarHBondContact O-CG 3.26Å; K107-E111 PolarHBondContact O-N 3.03Å
108K95.5Very high95.3Very high114 Ų11498.2 Ų98.250%0.49644%0.442SS..Hα-helixtrans-57.7-41.7177.4-72.9-170.1176.5-152.40112.1E78 N104 I105 E111 R112E78-K108 IonicContact OE2-NZ 3.77Å; E78-K108 PolarHBondContact OE2-NZ 3.11Å; N104-K108 WeakPolarHBondContact O-CG 3.47Å; N104-K108 PolarHBondContact O-N 3.36Å; I105-K108 PolarHBondContact O-N 3.1Å; K108-E111 PolarHBondContact O-N 2.96Å; K108-R112 WeakPolarHBondContact O-CB 3.47Å; K108-R112 PolarHBondContact O-N 3.31Å
109E95.5Very high95.4Very high73 Ų7397.4 Ų97.434%0.34144%0.438SS..Hα-helixtrans-68.6-40.1178.5-178.856.4-161.500112.2I105 K107 E111 R112 L113I105-E109 WeakPolarHBondContact O-CB 3.32Å; I105-E109 PolarHBondContact O-N 3.46Å; K107-E109 VanDerWaalsContact C-N 3.28Å; K107-E109 PolarHBondContact O-N 2.93Å; E109-E111 VanDerWaalsContact C-N 3.35Å; E109-R112 VanDerWaalsContact CD-NE 3.34Å; E109-R112 WeakPolarHBondContact O-CB 3.09Å; E109-R112 PolarHBondContact O-N 2.99Å; E109-R112 IonicContact OE1-CZ 3.99Å; E109-R112 IonicContact OE1-NE 3.6Å; E109-R112 PolarHBondContact OE1-NE 2.83Å; E109-R112 IonicContact OE1-NH2 2.92Å; E109-R112 PolarHBondContact OE1-NH2 3.21Å; E109-R112 IonicContact OE2-CZ 2.98Å; E109-R112 IonicContact OE2-NE 2.8Å; E109-R112 PolarHBondContact OE2-NE 3.05Å; E109-R112 IonicContact OE2-NH2 2.59Å; E109-L113 HydrophobicContact CG-CD1 4.4Å; E109-L113 WeakPolarHBondContact O-CG 3.45Å; E109-L113 PolarHBondContact O-N 3.02Å
110S95.9Very high95.4Very high47 Ų4793.1 Ų93.133%0.32944%0.435SS..Hα-helixtrans-64-42.7175.5-53.60000111.1R106 K107 R112 L113 Q114R106-S110 WeakPolarHBondContact O-CB 3.35Å; R106-S110 PolarHBondContact O-N 3.3Å; R106-S110 PolarHBondContact O-OG 2.95Å; K107-S110 PolarHBondContact O-N 3.28Å; S110-R112 VanDerWaalsContact C-N 3.32Å; S110-R112 PolarHBondContact O-N 3.24Å; S110-L113 PolarHBondContact O-N 3.48Å; S110-Q114 WeakPolarHBondContact O-CB 3.41Å; S110-Q114 VanDerWaalsContact O-CG 3.3Å; S110-Q114 WeakPolarHBondContact O-CG 3.28Å; S110-Q114 PolarHBondContact O-N 2.92Å
111E95.2Very high95.3Very high52 Ų5293.6 Ų93.624%0.24344%0.441CS..Hα-helixtrans-60.6-40.9173.8-76.5172.9174.400111.6W75 K107 K108 E109 Q114 Y115W75-E111 HydrophobicContact CH2-CB 4.05Å; W75-E111 HydrophobicContact CZ2-CB 4.49Å; K107-E111 WeakPolarHBondContact CE-OE1 3.47Å; K107-E111 IonicContact NZ-OE1 3.53Å; K107-E111 WeakPolarHBondContact O-CB 3.46Å; K107-E111 WeakPolarHBondContact O-CG 3.26Å; K107-E111 PolarHBondContact O-N 3.03Å; K108-E111 PolarHBondContact O-N 2.96Å; E109-E111 VanDerWaalsContact C-N 3.35Å; E111-Q114 PolarHBondContact O-N 2.91Å; E111-Y115 WeakPolarHBondContact O-CB 3.34Å; E111-Y115 PolarHBondContact O-N 3Å
112R95.2Very high95.2Very high97 Ų9794.1 Ų94.137%0.36644%0.44SS..Hα-helixtrans-63.8-44.8174.9-170.7-166.17482.45.1112.3P77 K108 E109 S110 Y115 I116P77-R112 HydrophobicContact CB-CB 4.36Å; P77-R112 HydrophobicContact CG-CG 4.33Å; K108-R112 WeakPolarHBondContact O-CB 3.47Å; K108-R112 PolarHBondContact O-N 3.31Å; E109-R112 VanDerWaalsContact CD-NE 3.34Å; E109-R112 WeakPolarHBondContact O-CB 3.09Å; E109-R112 PolarHBondContact O-N 2.99Å; E109-R112 IonicContact OE1-CZ 3.99Å; E109-R112 IonicContact OE1-NE 3.6Å; E109-R112 PolarHBondContact OE1-NE 2.83Å; E109-R112 IonicContact OE1-NH2 2.92Å; E109-R112 PolarHBondContact OE1-NH2 3.21Å; E109-R112 IonicContact OE2-CZ 2.98Å; E109-R112 IonicContact OE2-NE 2.8Å; E109-R112 PolarHBondContact OE2-NE 3.05Å; E109-R112 IonicContact OE2-NH2 2.59Å; S110-R112 VanDerWaalsContact C-N 3.32Å; S110-R112 PolarHBondContact O-N 3.24Å; R112-Y115 WeakPolarHBondContact O-CB 3.31Å; R112-Y115 PolarHBondContact O-N 2.8Å; R112-I116 HydrophobicContact CG-CD1 4.36Å; R112-I116 WeakPolarHBondContact O-CG1 3.32Å; R112-I116 PolarHBondContact O-N 2.98Å
113L96.1Very high95.1Very high91 Ų9191.1 Ų91.148%0.47644%0.435SS..Hα-helixtrans-64.2-43.2177.9-71172.7000111.4E109 S110 Y115 I116 E117E109-L113 HydrophobicContact CG-CD1 4.4Å; E109-L113 WeakPolarHBondContact O-CG 3.45Å; E109-L113 PolarHBondContact O-N 3.02Å; S110-L113 PolarHBondContact O-N 3.48Å; L113-Y115 VanDerWaalsContact C-N 3.33Å; L113-Y115 PolarHBondContact O-N 3.48Å; L113-I116 PolarHBondContact O-N 3.38Å; L113-E117 PolarHBondContact O-N 3.45Å
114Q96.1Very high94.8Very high67 Ų6786 Ų8631%0.31343%0.429SS..Hα-helixtrans-60.4-41.9174.6-73.8174.38.200111.9S110 E111 I116 E117 Q118S110-Q114 WeakPolarHBondContact O-CB 3.41Å; S110-Q114 VanDerWaalsContact O-CG 3.3Å; S110-Q114 WeakPolarHBondContact O-CG 3.28Å; S110-Q114 PolarHBondContact O-N 2.92Å; E111-Q114 PolarHBondContact O-N 2.91Å; Q114-I116 PolarHBondContact O-N 3.05Å; Q114-E117 PolarHBondContact O-N 3.07Å; Q114-Q118 WeakPolarHBondContact O-CB 3.38Å; Q114-Q118 VanDerWaalsContact O-CG 3.27Å; Q114-Q118 WeakPolarHBondContact O-CG 3.4Å; Q114-Q118 PolarHBondContact O-N 2.99Å
115Y95.7Very high94.6Very high61 Ų6185.6 Ų85.624%0.23943%0.43CS..Hα-helixtrans-60.2-44.2175.3175.1-104.2000112.2W75 K76 P77 E111 R112 L113 Q118 Q119W75-Y115 HydrophobicContact CE3-CD2 4.37Å; W75-Y115 HydrophobicContact CZ3-CD2 4.23Å; K76-Y115 HydrophobicContact CB-CE2 4.33Å; P77-Y115 VanDerWaalsContact CD-CD1 3.45Å; P77-Y115 HydrophobicContact CG-CD1 3.68Å; P77-Y115 HydrophobicContact CG-CE1 4.32Å; P77-Y115 HydrophobicContact CG-CG 3.87Å; E111-Y115 WeakPolarHBondContact O-CB 3.34Å; E111-Y115 PolarHBondContact O-N 3Å; R112-Y115 WeakPolarHBondContact O-CB 3.31Å; R112-Y115 PolarHBondContact O-N 2.8Å; L113-Y115 VanDerWaalsContact C-N 3.33Å; L113-Y115 PolarHBondContact O-N 3.48Å; Y115-Q118 PolarHBondContact O-N 3.36Å; Y115-Q119 WeakPolarHBondContact O-CB 3.44Å; Y115-Q119 PolarHBondContact O-N 3.37Å
116I95.6Very high94.4Very high82 Ų8284.2 Ų84.242%0.42142%0.423SS..Hα-helixtrans-64.1-43.5178.9-70.7168.3000111.2R112 L113 Q114 Q119 A120R112-I116 HydrophobicContact CG-CD1 4.36Å; R112-I116 WeakPolarHBondContact O-CG1 3.32Å; R112-I116 PolarHBondContact O-N 2.98Å; L113-I116 PolarHBondContact O-N 3.38Å; Q114-I116 PolarHBondContact O-N 3.05Å; I116-Q119 PolarHBondContact O-N 3.37Å; I116-A120 WeakPolarHBondContact O-CB 3.47Å; I116-A120 PolarHBondContact O-N 2.92Å
117E96.4Very high94Very high130 Ų13080.1 Ų80.161%0.60741%0.413SS*.Hα-helixtrans-61.8-46.4176.9-175.1176.1-161.600111.3L113 Q114 Q119 A120 L121L113-E117 PolarHBondContact O-N 3.45Å; Q114-E117 PolarHBondContact O-N 3.07Å; E117-Q119 VanDerWaalsContact C-N 3.32Å; E117-Q119 PolarHBondContact O-N 3.16Å; E117-A120 WeakPolarHBondContact O-CB 3.34Å; E117-A120 PolarHBondContact O-N 3.07Å; E117-L121 WeakPolarHBondContact O-CG 3.36Å; E117-L121 PolarHBondContact O-N 3.23Å
118Q94.5Very high93.8Very high97 Ų9777 Ų7745%0.45341%0.409SS..Hα-helixtrans-61.6-40.3176.2-72.8174.96.300112.3Q114 Y115 L121 K122Q114-Q118 WeakPolarHBondContact O-CB 3.38Å; Q114-Q118 VanDerWaalsContact O-CG 3.27Å; Q114-Q118 WeakPolarHBondContact O-CG 3.4Å; Q114-Q118 PolarHBondContact O-N 2.99Å; Y115-Q118 PolarHBondContact O-N 3.36Å; Q118-L121 PolarHBondContact O-N 2.72Å; Q118-K122 WeakPolarHBondContact O-CG 3.44Å; Q118-K122 PolarHBondContact O-N 3.42Å
119Q93.9Very high93.5Very high71 Ų7177.1 Ų77.133%0.33241%0.411SS..Hα-helixtrans-66.7-39.4177.2-167.96214.900111.6Y115 I116 E117 L121 K122 V123Y115-Q119 WeakPolarHBondContact O-CB 3.44Å; Y115-Q119 PolarHBondContact O-N 3.37Å; I116-Q119 PolarHBondContact O-N 3.37Å; E117-Q119 VanDerWaalsContact C-N 3.32Å; E117-Q119 PolarHBondContact O-N 3.16Å; Q119-L121 VanDerWaalsContact C-N 3.32Å; Q119-L121 PolarHBondContact O-N 2.92Å; Q119-K122 PolarHBondContact O-N 3Å; Q119-V123 WeakPolarHBondContact O-CG2 3.49Å; Q119-V123 PolarHBondContact O-N 3.3Å
120A94.5Very high93.3Very high64 Ų6480 Ų8053%0.52942%0.419SS..Hα-helixtrans-61.4-41.217400000111.8I116 E117 V123 G124I116-A120 WeakPolarHBondContact O-CB 3.47Å; I116-A120 PolarHBondContact O-N 2.92Å; E117-A120 WeakPolarHBondContact O-CB 3.34Å; E117-A120 PolarHBondContact O-N 3.07Å; A120-V123 PolarHBondContact O-N 2.97Å; A120-G124 PolarHBondContact O-N 2.96Å
121L94Very high93.1Very high116 Ų11680.5 Ų80.561%0.60742%0.422SS*.Hα-helixtrans-62.9-44.2174.8-68.3171.4000112E117 Q118 Q119 V123 G124 V125E117-L121 WeakPolarHBondContact O-CG 3.36Å; E117-L121 PolarHBondContact O-N 3.23Å; Q118-L121 PolarHBondContact O-N 2.72Å; Q119-L121 VanDerWaalsContact C-N 3.32Å; Q119-L121 PolarHBondContact O-N 2.92Å; L121-V123 PolarHBondContact O-N 3.47Å; L121-G124 PolarHBondContact O-N 3.24Å; L121-V125 WeakPolarHBondContact O-CG2 3.36Å; L121-V125 PolarHBondContact O-N 3.03Å
122K92.3Very high93Very high82 Ų8283 Ų8336%0.35744%0.435SS..Hα-helixtrans-60.5-43.5176.6-74.3176.5176.8-175.20112.4E74 Q118 Q119 G124 V125 I126E74-K122 IonicContact OE1-NZ 2.57Å; E74-K122 PolarHBondContact OE1-NZ 3.45Å; E74-K122 IonicContact OE2-NZ 2.66Å; E74-K122 PolarHBondContact OE2-NZ 2.92Å; Q118-K122 WeakPolarHBondContact O-CG 3.44Å; Q118-K122 PolarHBondContact O-N 3.42Å; Q119-K122 PolarHBondContact O-N 3Å; K122-G124 VanDerWaalsContact C-N 3.29Å; K122-G124 PolarHBondContact O-N 3.47Å; K122-V125 PolarHBondContact O-N 3.09Å; K122-I126 WeakPolarHBondContact O-CG1 3.48Å; K122-I126 PolarHBondContact O-N 3.23Å; K122-I126 VanDerWaalsContact O-N 3.09Å
123V92.2Very high92.9Very high65 Ų6583.2 Ų83.239%0.39444%0.444SS..Hα-helixtrans-60.8-42.1175.41730000110.7Q119 A120 L121 V125 I126 D127Q119-V123 WeakPolarHBondContact O-CG2 3.49Å; Q119-V123 PolarHBondContact O-N 3.3Å; A120-V123 PolarHBondContact O-N 2.97Å; L121-V123 PolarHBondContact O-N 3.47Å; V123-V125 VanDerWaalsContact C-N 3.33Å; V123-V125 PolarHBondContact O-N 3Å; V123-I126 PolarHBondContact O-N 2.59Å; V123-D127 PolarHBondContact O-N 2.9Å
124G90.3Very high92.8Very high44 Ų4485.9 Ų85.945%0.45445%0.448SS..Hα-helixtrans-60.2-39175.500000113.7A120 L121 K122 D127 G128A120-G124 PolarHBondContact O-N 2.96Å; L121-G124 PolarHBondContact O-N 3.24Å; K122-G124 VanDerWaalsContact C-N 3.29Å; K122-G124 PolarHBondContact O-N 3.47Å; G124-D127 PolarHBondContact O-N 3.41Å; G124-G128 PolarHBondContact O-N 3.4Å
125V91Very high92.8Very high88 Ų8889 Ų8953%0.53346%0.46SS..Hα-helixtrans-64.2-46.5175.1174.80000111L121 K122 V123 D127 G128 E129L121-V125 WeakPolarHBondContact O-CG2 3.36Å; L121-V125 PolarHBondContact O-N 3.03Å; K122-V125 PolarHBondContact O-N 3.09Å; V123-V125 VanDerWaalsContact C-N 3.33Å; V123-V125 PolarHBondContact O-N 3Å; V125-D127 VanDerWaalsContact C-N 3.3Å; V125-D127 PolarHBondContact O-N 3.17Å; V125-G128 CarbonylContact O-C 3.6Å; V125-G128 WeakPolarHBondContact O-CA 3.41Å; V125-G128 PolarHBondContact O-N 3.05Å; V125-E129 PolarHBondContact O-N 3.34Å
126I89.9Confident92.7Very high73 Ų7391.6 Ų91.637%0.37447%0.473SS..Hα-helixtrans-60.8-41178.7-66164.2000111K122 V123 G128 E129 R130K122-I126 WeakPolarHBondContact O-CG1 3.48Å; K122-I126 PolarHBondContact O-N 3.23Å; K122-I126 VanDerWaalsContact O-N 3.09Å; V123-I126 PolarHBondContact O-N 2.59Å; I126-G128 VanDerWaalsContact C-N 3.29Å; I126-G128 PolarHBondContact O-N 2.79Å; I126-E129 PolarHBondContact O-N 3.34Å; I126-R130 WeakPolarHBondContact O-CG 3.27Å; I126-R130 PolarHBondContact O-N 3.34Å
127D88.6Confident92.7Very high70 Ų7091.7 Ų91.737%0.37448%0.477SS..Hα-helixtrans-69.4-29.8176.6-73.6-22.7000112.4V123 G124 V125 R130 S131V123-D127 PolarHBondContact O-N 2.9Å; G124-D127 PolarHBondContact O-N 3.41Å; V125-D127 VanDerWaalsContact C-N 3.3Å; V125-D127 PolarHBondContact O-N 3.17Å; D127-R130 IonicContact OD1-CZ 2.74Å; D127-R130 IonicContact OD1-NH1 3.39Å; D127-R130 PolarHBondContact OD1-NH1 3.23Å; D127-S131 WeakPolarHBondContact O-CB 3.47Å; D127-S131 PolarHBondContact O-N 2.94Å; D127-S131 PolarHBondContact O-OG 2.93Å
128G90.6Very high92.7Very high34 Ų3487.5 Ų87.535%0.35147%0.465SS..Hα-helixtrans-62.6-50.5168.800000112.2G124 V125 I126 R130 S131 M132G124-G128 PolarHBondContact O-N 3.4Å; V125-G128 CarbonylContact O-C 3.6Å; V125-G128 WeakPolarHBondContact O-CA 3.41Å; V125-G128 PolarHBondContact O-N 3.05Å; I126-G128 VanDerWaalsContact C-N 3.29Å; I126-G128 PolarHBondContact O-N 2.79Å; G128-R130 PolarHBondContact O-N 2.99Å; G128-S131 WeakPolarHBondContact O-CA 3.45Å; G128-S131 WeakPolarHBondContact O-CB 3.4Å; G128-S131 PolarHBondContact O-N 3.06Å; G128-M132 WeakPolarHBondContact O-CG 3.49Å; G128-M132 PolarHBondContact O-N 3.39Å
129E89.6Confident92.7Very high115 Ų11586.7 Ų86.754%0.53746%0.461SS..Hα-helixtrans-58.4-46.8177.1-69.6175.6168.300111.5V125 I126 S131 M132 D133V125-E129 PolarHBondContact O-N 3.34Å; I126-E129 PolarHBondContact O-N 3.34Å; E129-S131 PolarHBondContact O-N 3.14Å; E129-M132 WeakPolarHBondContact O-CB 3.49Å; E129-M132 PolarHBondContact O-N 3.47Å; E129-D133 PolarHBondContact O-N 2.87Å
130R91Very high92.8Very high133 Ų13389.7 Ų89.750%0.50248%0.475SS..Hα-helixtrans-59.7-32.9174.5-71.4172.1-179.3163.4-3.3112.9I126 D127 G128 R134I126-R130 WeakPolarHBondContact O-CG 3.27Å; I126-R130 PolarHBondContact O-N 3.34Å; D127-R130 IonicContact OD1-CZ 2.74Å; D127-R130 IonicContact OD1-NH1 3.39Å; D127-R130 PolarHBondContact OD1-NH1 3.23Å; G128-R130 PolarHBondContact O-N 2.99Å; R130-R134 VanDerWaalsContact O-CG 3.31Å; R130-R134 WeakPolarHBondContact O-CG 3.39Å; R130-R134 PolarHBondContact O-N 3.46Å; R130-R134 VanDerWaalsContact O-N 3.1Å; R130-R134 PolarHBondContact O-NE 3.31Å
131S92.5Very high92.8Very high58 Ų5890.2 Ų90.241%0.40647%0.472SS..Hα-helixtrans-71.3-37.9177.2-59.50000111.6D127 G128 E129 R134 F135D127-S131 WeakPolarHBondContact O-CB 3.47Å; D127-S131 PolarHBondContact O-N 2.94Å; D127-S131 PolarHBondContact O-OG 2.93Å; G128-S131 WeakPolarHBondContact O-CA 3.45Å; G128-S131 WeakPolarHBondContact O-CB 3.4Å; G128-S131 PolarHBondContact O-N 3.06Å; E129-S131 PolarHBondContact O-N 3.14Å; S131-R134 PolarHBondContact O-N 3.5Å; S131-R134 PolarHBondContact OG-NH2 2.81Å; S131-F135 PolarHBondContact O-N 3.45Å
132M92.2Very high92.8Very high105 Ų10590.3 Ų90.352%0.51747%0.468SS..Hα-helixtrans-64.2-45.8173.4-65.3-67.6-66.100111.1G128 E129 R134 F135 F136G128-M132 WeakPolarHBondContact O-CG 3.49Å; G128-M132 PolarHBondContact O-N 3.39Å; E129-M132 WeakPolarHBondContact O-CB 3.49Å; E129-M132 PolarHBondContact O-N 3.47Å; M132-R134 VanDerWaalsContact C-N 3.32Å; M132-R134 PolarHBondContact O-N 3.2Å; M132-F135 WeakPolarHBondContact O-CA 3.41Å; M132-F135 WeakPolarHBondContact O-CB 3.4Å; M132-F135 PolarHBondContact O-N 2.91Å; M132-F136 HydrophobicContact CB-CE2 4.32Å; M132-F136 HydrophobicContact CE-CE2 4.04Å; M132-F136 HydrophobicContact CE-CZ 4.35Å; M132-F136 WeakPolarHBondContact O-CD2 3.43Å; M132-F136 PolarHBondContact O-N 3.1Å
133D93.8Very high93Very high101 Ų10190 Ų9054%0.5447%0.467SS..Hα-helixtrans-59.9-43.3177.4-68.5-16.9000111.6E129 F135 F136 V137E129-D133 PolarHBondContact O-N 2.87Å; D133-F135 VanDerWaalsContact C-N 3.27Å; D133-F135 PolarHBondContact O-N 2.88Å; D133-F136 PolarHBondContact O-N 2.92Å; D133-V137 VanDerWaalsContact O-CG2 3.3Å; D133-V137 WeakPolarHBondContact O-CG2 3.47Å; D133-V137 PolarHBondContact O-N 2.82Å
134R94.8Very high93.1Very high148 Ų14888 Ų8856%0.55846%0.461SS*.Hα-helixtrans-59.7-38.3173.6-76.5-174.5-66.3-102.43.4112.1R130 S131 M132 A138R130-R134 VanDerWaalsContact O-CG 3.31Å; R130-R134 WeakPolarHBondContact O-CG 3.39Å; R130-R134 PolarHBondContact O-N 3.46Å; R130-R134 VanDerWaalsContact O-N 3.1Å; R130-R134 PolarHBondContact O-NE 3.31Å; S131-R134 PolarHBondContact O-N 3.5Å; S131-R134 PolarHBondContact OG-NH2 2.81Å; M132-R134 VanDerWaalsContact C-N 3.32Å; M132-R134 PolarHBondContact O-N 3.2Å; R134-A138 VanDerWaalsContact O-CB 3.26Å; R134-A138 WeakPolarHBondContact O-CB 3.39Å; R134-A138 PolarHBondContact O-N 3.34Å
135F94.9Very high93.4Very high131 Ų13190.4 Ų90.458%0.57546%0.462SS*.Hα-helixtrans-66.4-46177.4-177.2-94.8000111.7S131 M132 D133 A138 E139S131-F135 PolarHBondContact O-N 3.45Å; M132-F135 WeakPolarHBondContact O-CA 3.41Å; M132-F135 WeakPolarHBondContact O-CB 3.4Å; M132-F135 PolarHBondContact O-N 2.91Å; D133-F135 VanDerWaalsContact C-N 3.27Å; D133-F135 PolarHBondContact O-N 2.88Å; F135-A138 PolarHBondContact O-N 3.07Å; F135-E139 PolarHBondContact O-N 3.49Å
136F94.4Very high93.6Very high116 Ų11692.9 Ų92.951%0.50946%0.462SS..Hα-helixtrans-62.2-45.1176.9-73.4-66.6000112.3M132 D133 A138 E139 E140M132-F136 HydrophobicContact CB-CE2 4.32Å; M132-F136 HydrophobicContact CE-CE2 4.04Å; M132-F136 HydrophobicContact CE-CZ 4.35Å; M132-F136 WeakPolarHBondContact O-CD2 3.43Å; M132-F136 PolarHBondContact O-N 3.1Å; D133-F136 PolarHBondContact O-N 2.92Å; F136-A138 VanDerWaalsContact C-N 3.34Å; F136-A138 PolarHBondContact O-N 3.24Å; F136-E139 PolarHBondContact O-N 2.99Å; F136-E140 WeakPolarHBondContact O-CG 3.49Å; F136-E140 PolarHBondContact O-N 3.39Å
137V95.4Very high93.9Very high84 Ų8496.2 Ų96.251%0.50947%0.47SS..Hα-helixtrans-62.4-43.4176.7173.70000110.8D133 E139 E140 T141D133-V137 VanDerWaalsContact O-CG2 3.3Å; D133-V137 WeakPolarHBondContact O-CG2 3.47Å; D133-V137 PolarHBondContact O-N 2.82Å; V137-E139 PolarHBondContact O-N 3.33Å; V137-E140 PolarHBondContact O-N 3.23Å; V137-T141 HydrophobicContact CG1-CG2 4.37Å; V137-T141 WeakPolarHBondContact O-CG2 3.3Å; V137-T141 PolarHBondContact O-N 3.48Å
138A95.7Very high94.3Very high43 Ų43100.3 Ų100.336%0.35548%0.484SS..Hα-helixtrans-60.6-44.6176.800000111.6R134 F135 F136 T141 F142R134-A138 VanDerWaalsContact O-CB 3.26Å; R134-A138 WeakPolarHBondContact O-CB 3.39Å; R134-A138 PolarHBondContact O-N 3.34Å; F135-A138 PolarHBondContact O-N 3.07Å; F136-A138 VanDerWaalsContact C-N 3.34Å; F136-A138 PolarHBondContact O-N 3.24Å; A138-T141 PolarHBondContact O-N 3.45Å; A138-T141 PolarHBondContact O-OG1 3.5Å; A138-F142 WeakPolarHBondContact O-CD2 2.95Å; A138-F142 PolarHBondContact O-N 2.94Å
139E95.3Very high94.5Very high80 Ų80102.9 Ų102.937%0.37449%0.49SS..Hα-helixtrans-62.5-44.5177.3-169.861.2-156.900111.4F135 F136 V137 T141 F142 E143F135-E139 PolarHBondContact O-N 3.49Å; F136-E139 PolarHBondContact O-N 2.99Å; V137-E139 PolarHBondContact O-N 3.33Å; E139-T141 VanDerWaalsContact C-N 3.33Å; E139-T141 PolarHBondContact O-N 2.98Å; E139-F142 PolarHBondContact O-N 2.94Å; E139-E143 WeakPolarHBondContact O-CG 3.48Å; E139-E143 PolarHBondContact O-N 2.82Å
140E95.3Very high94.8Very high134 Ų134105.1 Ų105.163%0.62649%0.493SS*.Hα-helixtrans-59.7-41.4175-75.3-173.6170.200112.4F136 V137 E143 G144F136-E140 WeakPolarHBondContact O-CG 3.49Å; F136-E140 PolarHBondContact O-N 3.39Å; V137-E140 PolarHBondContact O-N 3.23Å; E140-E143 PolarHBondContact O-N 2.93Å; E140-G144 PolarHBondContact O-N 2.81Å
141T95.2Very high95Very high75 Ų75101.9 Ų101.946%0.4649%0.491SS..Hα-helixtrans-64.5-41.5176.167.30000111.8V137 A138 E139 G144 I145V137-T141 HydrophobicContact CG1-CG2 4.37Å; V137-T141 WeakPolarHBondContact O-CG2 3.3Å; V137-T141 PolarHBondContact O-N 3.48Å; A138-T141 PolarHBondContact O-N 3.45Å; A138-T141 PolarHBondContact O-OG1 3.5Å; E139-T141 VanDerWaalsContact C-N 3.33Å; E139-T141 PolarHBondContact O-N 2.98Å; T141-G144 PolarHBondContact O-N 3.18Å; T141-I145 VanDerWaalsContact O-CG1 3.31Å; T141-I145 WeakPolarHBondContact O-CG1 3.17Å; T141-I145 PolarHBondContact O-N 3.36Å
142F94.8Very high95.2Very high117 Ų117101.8 Ų101.851%0.51349%0.494SS..Hα-helixtrans-63.7-44.5176.1-99.3-76.3000111.7A138 E139 G144 I145 R146A138-F142 WeakPolarHBondContact O-CD2 2.95Å; A138-F142 PolarHBondContact O-N 2.94Å; E139-F142 PolarHBondContact O-N 2.94Å; F142-G144 VanDerWaalsContact C-N 3.32Å; F142-G144 PolarHBondContact O-N 3.47Å; F142-I145 PolarHBondContact O-N 3.37Å; F142-R146 WeakPolarHBondContact O-CB 3.42Å; F142-R146 WeakPolarHBondContact O-CG 3.37Å; F142-R146 PolarHBondContact O-N 3.01Å
143E95.1Very high95.3Very high75 Ų75103 Ų10335%0.3550%0.496SS..Hα-helixtrans-61.6-41.6174-72.8-158.2153.200111.9E139 E140 R146 R147E139-E143 WeakPolarHBondContact O-CG 3.48Å; E139-E143 PolarHBondContact O-N 2.82Å; E140-E143 PolarHBondContact O-N 2.93Å; E143-R146 PolarHBondContact O-N 2.81Å; E143-R147 WeakPolarHBondContact O-CG 3.33Å; E143-R147 PolarHBondContact O-N 2.66Å; E143-R147 IonicContact OE2-CZ 2.94Å; E143-R147 IonicContact OE2-NH1 2.68Å; E143-R147 PolarHBondContact OE2-NH1 3.24Å; E143-R147 IonicContact OE2-NH2 3.75Å; E143-R147 PolarHBondContact OE2-NH2 3.33Å
144G95.8Very high95.3Very high25 Ų25100.5 Ų100.526%0.25849%0.489SS..Hα-helixtrans-58.7-46175.700000112.5E140 T141 F142 R147 K148E140-G144 PolarHBondContact O-N 2.81Å; T141-G144 PolarHBondContact O-N 3.18Å; F142-G144 VanDerWaalsContact C-N 3.32Å; F142-G144 PolarHBondContact O-N 3.47Å; G144-R147 PolarHBondContact O-N 2.84Å; G144-K148 WeakPolarHBondContact O-CG 3.33Å; G144-K148 PolarHBondContact O-N 3.41Å
145I96Very high95.3Very high93 Ų9397.4 Ų97.448%0.47748%0.483SS..Hα-helixtrans-62-47.6175-66.3164.3000110.1T141 F142 R147 K148 D149T141-I145 VanDerWaalsContact O-CG1 3.31Å; T141-I145 WeakPolarHBondContact O-CG1 3.17Å; T141-I145 PolarHBondContact O-N 3.36Å; F142-I145 PolarHBondContact O-N 3.37Å; I145-R147 VanDerWaalsContact C-N 3.29Å; I145-R147 PolarHBondContact O-N 3.49Å; I145-K148 PolarHBondContact O-N 3.49Å; I145-K148 VanDerWaalsContact O-N 3.14Å; I145-D149 PolarHBondContact O-N 3.39Å
146R95.4Very high95.2Very high140 Ų14093.7 Ų93.753%0.52847%0.473SS..Hα-helixtrans-60.5-34.4177.2-73.9176.1178.6167.62.4113F142 E143 R150F142-R146 WeakPolarHBondContact O-CB 3.42Å; F142-R146 WeakPolarHBondContact O-CG 3.37Å; F142-R146 PolarHBondContact O-N 3.01Å; E143-R146 PolarHBondContact O-N 2.81Å; R146-R150 WeakPolarHBondContact O-CB 3.46Å; R146-R150 VanDerWaalsContact O-CG 3.32Å; R146-R150 WeakPolarHBondContact O-CG 3.38Å; R146-R150 PolarHBondContact O-N 2.99Å; R146-R150 PolarHBondContact O-NE 2.88Å
147R95.6Very high95.1Very high143 Ų14396.9 Ų96.954%0.5448%0.482SS..Hα-helixtrans-68.4-44.4174.7-74.6177-173.3113.88.3110.9E143 G144 I145 R150 S151E143-R147 WeakPolarHBondContact O-CG 3.33Å; E143-R147 PolarHBondContact O-N 2.66Å; E143-R147 IonicContact OE2-CZ 2.94Å; E143-R147 IonicContact OE2-NH1 2.68Å; E143-R147 PolarHBondContact OE2-NH1 3.24Å; E143-R147 IonicContact OE2-NH2 3.75Å; E143-R147 PolarHBondContact OE2-NH2 3.33Å; G144-R147 PolarHBondContact O-N 2.84Å; I145-R147 VanDerWaalsContact C-N 3.29Å; I145-R147 PolarHBondContact O-N 3.49Å; R147-R150 PolarHBondContact O-N 3.36Å; R147-S151 PolarHBondContact O-N 3.2Å
148K96.5Very high95Very high156 Ų156102.2 Ų102.268%0.67849%0.493SS*.Hα-helixtrans-61.5-45176.5-73.1177.5-179.6177.10111.9G144 I145 R150 S151 A152G144-K148 WeakPolarHBondContact O-CG 3.33Å; G144-K148 PolarHBondContact O-N 3.41Å; I145-K148 PolarHBondContact O-N 3.49Å; I145-K148 VanDerWaalsContact O-N 3.14Å; K148-R150 PolarHBondContact O-N 3.32Å; K148-S151 WeakPolarHBondContact O-CB 3.32Å; K148-S151 PolarHBondContact O-N 2.94Å; K148-A152 WeakPolarHBondContact O-CB 3.5Å; K148-A152 PolarHBondContact O-N 3.38Å
149D96.3Very high94.8Very high88 Ų88106.3 Ų106.347%0.47150%0.503SS..Hα-helixtrans-62.4-40.9177.3-83.1-0000112.6I145 A152 K153I145-D149 PolarHBondContact O-N 3.39Å; D149-A152 PolarHBondContact O-N 3.44Å; D149-K153 WeakPolarHBondContact O-CB 3.35Å; D149-K153 WeakPolarHBondContact O-CG 3.49Å; D149-K153 PolarHBondContact O-N 3.19Å
150R95.6Very high94.6Very high163 Ų163107.4 Ų107.462%0.61551%0.511SS*.Hα-helixtrans-63.3-43.7175.1-78.3-176.1-85-170.6-3.2111.6R146 R147 K148 A154R146-R150 WeakPolarHBondContact O-CB 3.46Å; R146-R150 VanDerWaalsContact O-CG 3.32Å; R146-R150 WeakPolarHBondContact O-CG 3.38Å; R146-R150 PolarHBondContact O-N 2.99Å; R146-R150 PolarHBondContact O-NE 2.88Å; R147-R150 PolarHBondContact O-N 3.36Å; K148-R150 PolarHBondContact O-N 3.32Å; R150-A154 WeakPolarHBondContact O-CB 3.39Å; R150-A154 PolarHBondContact O-N 3.31Å
151S94.7Very high94.3Very high64 Ų64106.2 Ų106.245%0.44851%0.513SS..Hα-helixtrans-61.9-47.7175.2175.60000111.8R147 K148 K153 A154 I155R147-S151 PolarHBondContact O-N 3.2Å; K148-S151 WeakPolarHBondContact O-CB 3.32Å; K148-S151 PolarHBondContact O-N 2.94Å; S151-K153 PolarHBondContact O-N 3.13Å; S151-A154 PolarHBondContact O-N 2.69Å; S151-A154 VanDerWaalsContact O-N 3.13Å; S151-I155 WeakPolarHBondContact O-CG1 3.41Å; S151-I155 PolarHBondContact O-N 2.9Å
152A96Very high94Very high57 Ų57110.6 Ų110.647%0.47153%0.526SS..Hα-helixtrans-60.5-43.8178.800000112.2K148 D149 A154 I155 S156K148-A152 WeakPolarHBondContact O-CB 3.5Å; K148-A152 PolarHBondContact O-N 3.38Å; D149-A152 PolarHBondContact O-N 3.44Å; A152-A154 VanDerWaalsContact C-N 3.35Å; A152-A154 PolarHBondContact O-N 3.41Å; A152-I155 PolarHBondContact O-N 3.32Å; A152-S156 PolarHBondContact O-N 3.48Å; A152-S156 PolarHBondContact O-OG 3.04Å
153K95.5Very high93.5Very high131 Ų131112.5 Ų112.557%0.5754%0.536SS*.Hα-helixtrans-64.1-36174.5-74.3175.1-177.4174.70112.7D149 S151 S156 R157D149-K153 WeakPolarHBondContact O-CB 3.35Å; D149-K153 WeakPolarHBondContact O-CG 3.49Å; D149-K153 PolarHBondContact O-N 3.19Å; S151-K153 PolarHBondContact O-N 3.13Å; K153-S156 PolarHBondContact O-OG 3.41Å; K153-R157 WeakPolarHBondContact O-CB 3.48Å; K153-R157 VanDerWaalsContact O-CG 3.24Å; K153-R157 WeakPolarHBondContact O-CG 3.34Å; K153-R157 PolarHBondContact O-N 3.4Å; K153-R157 VanDerWaalsContact O-N 3.08Å
154A94.1Very high92.8Very high47 Ų47113.2 Ų113.239%0.38856%0.555SS.*Hα-helixtrans-68.8-39.8175.900000111.8R150 S151 A152 R158R150-A154 WeakPolarHBondContact O-CB 3.39Å; R150-A154 PolarHBondContact O-N 3.31Å; S151-A154 PolarHBondContact O-N 2.69Å; S151-A154 VanDerWaalsContact O-N 3.13Å; A152-A154 VanDerWaalsContact C-N 3.35Å; A152-A154 PolarHBondContact O-N 3.41Å; A154-R158 WeakPolarHBondContact O-CG 3.28Å; A154-R158 PolarHBondContact O-N 3.14Å
155I93.7Very high91.2Very high83 Ų83119.9 Ų119.943%0.42660%0.595SS.*Hα-helixtrans-65.5-45.8176.3-66.5164.2000110.7S151 A152 R157 R158 K159S151-I155 WeakPolarHBondContact O-CG1 3.41Å; S151-I155 PolarHBondContact O-N 2.9Å; A152-I155 PolarHBondContact O-N 3.32Å; I155-R157 PolarHBondContact O-N 3.14Å; I155-R158 PolarHBondContact O-N 3.28Å; I155-K159 PolarHBondContact O-N 3.07Å
156S92.8Very high91Very high54 Ų54121.2 Ų121.238%0.37860%0.601SS.*Hα-helixtrans-62.8-41.7178.166.30000111.9A152 K153 R158 K159 N160A152-S156 PolarHBondContact O-N 3.48Å; A152-S156 PolarHBondContact O-OG 3.04Å; K153-S156 PolarHBondContact O-OG 3.41Å; S156-R158 VanDerWaalsContact C-N 3.35Å; S156-R158 PolarHBondContact O-N 3.35Å; S156-K159 PolarHBondContact O-N 3.2Å; S156-N160 VanDerWaalsContact O-CG 3.28Å; S156-N160 PolarHBondContact O-N 3.45Å; S156-N160 PolarHBondContact O-OD1 3.3Å
157R92.9Very high90.7Very high183 Ų183120.2 Ų120.269%0.69161%0.605SS**Hα-helixtrans-58.1-43.9172.9-75.9174.7177.6-172.8-1.6112.5K153 I155 K159 N160 V161K153-R157 WeakPolarHBondContact O-CB 3.48Å; K153-R157 VanDerWaalsContact O-CG 3.24Å; K153-R157 WeakPolarHBondContact O-CG 3.34Å; K153-R157 PolarHBondContact O-N 3.4Å; K153-R157 VanDerWaalsContact O-N 3.08Å; I155-R157 PolarHBondContact O-N 3.14Å; R157-K159 VanDerWaalsContact C-N 3.35Å; R157-K159 PolarHBondContact O-N 3.38Å; R157-N160 PolarHBondContact O-N 2.95Å; R157-V161 VanDerWaalsContact O-CG2 3.28Å; R157-V161 WeakPolarHBondContact O-CG2 3.44Å; R157-V161 PolarHBondContact O-N 3.27Å
158R92.5Very high90.5Very high196 Ų196118.9 Ų118.974%0.7461%0.609SS**Hα-helixtrans-64.6-36.4177.2-74.7178.5179.8178.70.4112.8A154 I155 S156 K162A154-R158 WeakPolarHBondContact O-CG 3.28Å; A154-R158 PolarHBondContact O-N 3.14Å; I155-R158 PolarHBondContact O-N 3.28Å; S156-R158 VanDerWaalsContact C-N 3.35Å; S156-R158 PolarHBondContact O-N 3.35Å; R158-K162 PolarHBondContact O-N 3.23Å
159K92.4Very high90.1Very high129 Ų129116.8 Ų116.856%0.56161%0.605SS**Hα-helixtrans-65.8-49.6174.7-71.8-176.5178.1-174.20111.3I155 S156 R157 V161 K162 E163I155-K159 PolarHBondContact O-N 3.07Å; S156-K159 PolarHBondContact O-N 3.2Å; R157-K159 VanDerWaalsContact C-N 3.35Å; R157-K159 PolarHBondContact O-N 3.38Å; K159-V161 VanDerWaalsContact C-N 3.28Å; K159-V161 PolarHBondContact O-N 2.92Å; K159-K162 PolarHBondContact O-N 2.82Å; K159-E163 PolarHBondContact O-N 2.88Å
160N90.7Very high89.7Confident103 Ų103118.6 Ų118.655%0.55161%0.613SS**Hα-helixtrans-60.3-37179.3-64.33.9000112.4S156 R157 A164S156-N160 VanDerWaalsContact O-CG 3.28Å; S156-N160 PolarHBondContact O-N 3.45Å; S156-N160 PolarHBondContact O-OD1 3.3Å; R157-N160 PolarHBondContact O-N 2.95Å; N160-A164 WeakPolarHBondContact O-CB 3.13Å; N160-A164 PolarHBondContact O-N 3.13Å
161V90Very high89.3Confident108 Ų108115.6 Ų115.666%0.65561%0.613SS**Hα-helixtrans-68.7-35.1176171.70000112R157 K159R157-V161 VanDerWaalsContact O-CG2 3.28Å; R157-V161 WeakPolarHBondContact O-CG2 3.44Å; R157-V161 PolarHBondContact O-N 3.27Å; K159-V161 VanDerWaalsContact C-N 3.28Å; K159-V161 PolarHBondContact O-N 2.92Å
162K88Confident89Confident168 Ų168119.3 Ų119.373%0.7363%0.625SS**Hα-helixtrans-71.3-36.8175.6-85.9-173174.7-173.10113R158 K159 A164 C165R158-K162 PolarHBondContact O-N 3.23Å; K159-K162 PolarHBondContact O-N 2.82Å; K162-A164 VanDerWaalsContact C-N 3.26Å; K162-C165 PolarHBondContact O-N 3.1Å
163E83.5Confident88.4Confident156 Ų156124.1 Ų124.173%0.72964%0.637SS**Hα-helixtrans-72.5-21.2177.7-70.6175.2-171.700112.6K159K159-E163 PolarHBondContact O-N 2.88Å
164A81.5Confident87.8Confident90 Ų90123.5 Ų123.574%0.74464%0.642SS**THydrogen-bonded Turntrans-85.3-3.9176.100000114.3N160 K162N160-A164 WeakPolarHBondContact O-CB 3.13Å; N160-A164 PolarHBondContact O-N 3.13Å; K162-A164 VanDerWaalsContact C-N 3.26Å
165C61.9Low87.3Confident165 Ų165130.5 Ų130.5100%1.11567%0.665SS**  trans-112.20-178.7-166.80000110.7K162K162-C165 PolarHBondContact O-N 3.1Å

Retrieved 165 of 165 residues in 376.5 ms (Link to these results)