A0A077Z5P4_TRITR Loading...

Anoctamin

AlphaFold DB , UniProt , Accession A0A077Z5P4, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 140 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
1M34.1Very low44.5Very low197 Ų197123.1 Ų123.197%0.9766%0.663SS**  096.90-127.4-176.8-7800108.2
2H28.9Very low45.1Very low160 Ų160125.8 Ų125.874%0.74167%0.674SS**  trans-89.4116.8175.2-163.729.4000106.8E4H2-E4 IonicContact CD2-OE1 3.41Å; H2-E4 PolarHBondContact CD2-OE1 3.3Å; H2-E4 IonicContact NE2-OE1 3.82Å; H2-E4 PolarHBondContact O-N 2.9Å
3I37.9Very low46.1Very low160 Ų160128.4 Ų128.482%0.82168%0.68SS**  trans-87.795.4172.8-61.2171.4000105.8
4E36.3Very low47.2Very low138 Ų138120.9 Ų120.965%0.64564%0.64SS**  trans-80.4138.8170.1-70.4-173.5173.800109.4H2 I6H2-E4 IonicContact CD2-OE1 3.41Å; H2-E4 PolarHBondContact CD2-OE1 3.3Å; H2-E4 IonicContact NE2-OE1 3.82Å; H2-E4 PolarHBondContact O-N 2.9Å; E4-I6 PolarHBondContact O-N 3.19Å
5S44.9Very low48.2Very low119 Ų119126.7 Ų126.783%0.83265%0.649SS**  trans-64.7107.3166.6171.10000107.6G7S5-G7 VanDerWaalsContact C-N 3.27Å; S5-G7 PolarHBondContact O-N 3.38Å
6I47.4Very low49.6Very low69 Ų69128.7 Ų128.735%0.35465%0.646SS.*  trans-59.787.6174.6-61.9177.5000107.9E4 E8 F9 V32E4-I6 PolarHBondContact O-N 3.19Å; I6-E8 PolarHBondContact O-N 3.19Å; I6-F9 HydrophobicContact CB-CD2 4.15Å; I6-F9 HydrophobicContact CB-CE2 4.5Å; I6-F9 HydrophobicContact CG2-CB 3.67Å; I6-F9 HydrophobicContact CG2-CD2 3.08Å; I6-F9 HydrophobicContact CG2-CE2 3.78Å; I6-F9 HydrophobicContact CG2-CG 3.54Å; I6-V32 HydrophobicContact CD1-CG2 3.71Å
7G42.5Very low51.3Low55 Ų55121.4 Ų121.457%0.56761%0.61SS**  trans-65.1129.5173.100000109.4S5 F9S5-G7 VanDerWaalsContact C-N 3.27Å; S5-G7 PolarHBondContact O-N 3.38Å; G7-F9 VanDerWaalsContact O-CD2 3.27Å; G7-F9 WeakPolarHBondContact O-CD2 3.2Å; G7-F9 PolarHBondContact O-N 3.39Å
8E51.4Low52.4Low200 Ų200125.2 Ų125.294%0.93562%0.616SS**SBendtrans14.857178.2-65.8-169.516700116.3I6I6-E8 PolarHBondContact O-N 3.19Å
9F55.3Low53.3Low55 Ų55122.7 Ų122.724%0.24160%0.601CS.*  trans-66.1142.1163.7-87.1-108.6000106.9I6 G7 L11 I66 F73I6-F9 HydrophobicContact CB-CD2 4.15Å; I6-F9 HydrophobicContact CB-CE2 4.5Å; I6-F9 HydrophobicContact CG2-CB 3.67Å; I6-F9 HydrophobicContact CG2-CD2 3.08Å; I6-F9 HydrophobicContact CG2-CE2 3.78Å; I6-F9 HydrophobicContact CG2-CG 3.54Å; G7-F9 VanDerWaalsContact O-CD2 3.27Å; G7-F9 WeakPolarHBondContact O-CD2 3.2Å; G7-F9 PolarHBondContact O-N 3.39Å; F9-L11 HydrophobicContact CB-CG 4.4Å; F9-L11 PolarHBondContact O-N 3.33Å; F9-I66 HydrophobicContact CD1-CD1 3.73Å; F9-I66 HydrophobicContact CE1-CD1 3.39Å; F9-I66 HydrophobicContact CZ-CD1 4.49Å; F9-F73 AromaticContact CD1-CE1 3.86Å; F9-F73 HydrophobicContact CD1-CE1 3.86Å; F9-F73 AromaticContact CD1-CZ 3.68Å; F9-F73 HydrophobicContact CD1-CZ 3.68Å; F9-F73 AromaticContact CE1-CE1 3.98Å; F9-F73 HydrophobicContact CE1-CE1 3.98Å; F9-F73 AromaticContact CE1-CZ 3.58Å; F9-F73 HydrophobicContact CE1-CZ 3.58Å
10P56.1Low53.9Low107 Ų107125.3 Ų125.370%0.69562%0.617SS**  trans-6775.7172.727.9-32.9000109.4I12P10-I12 PolarHBondContact O-N 3.09Å
11L55Low54.6Low94 Ų94126.3 Ų126.349%0.49262%0.621SS.*THydrogen-bonded Turntrans-67.63.6-176.6-82.2162.8000113.3F9 E13 L14F9-L11 HydrophobicContact CB-CG 4.4Å; F9-L11 PolarHBondContact O-N 3.33Å; L11-E13 PolarHBondContact O-N 3.02Å; L11-L14 HydrophobicContact CD2-CB 4.43Å; L11-L14 HydrophobicContact CD2-CD1 4.28Å; L11-L14 PolarHBondContact O-N 3.48Å
12I51.4Low56.3Low155 Ų155119.9 Ų119.980%0.79561%0.605SS**THydrogen-bonded Turntrans-64.4-31.9-170.6-62.5173.9000110.7P10P10-I12 PolarHBondContact O-N 3.09Å
13E58.7Low58.7Low160 Ų160117.4 Ų117.475%0.74859%0.594SS**SBendtrans-88.5-26.8178.4-65.3-153.1151.200114.3L11 R15L11-E13 PolarHBondContact O-N 3.02Å; E13-R15 PolarHBondContact O-N 3.38Å
14L61Low60.7Low24 Ų24115.4 Ų115.413%0.12658%0.581CS.*THydrogen-bonded Turntrans-77.18.6-178.6-57.6-172.3000113.9L11 R16 V27 V30 F73 L75L11-L14 HydrophobicContact CD2-CB 4.43Å; L11-L14 HydrophobicContact CD2-CD1 4.28Å; L11-L14 PolarHBondContact O-N 3.48Å; L14-R16 VanDerWaalsContact C-N 3.26Å; L14-R16 PolarHBondContact O-N 2.66Å; L14-V27 WeakPolarHBondContact O-CG2 3.13Å; L14-V30 HydrophobicContact CD1-CG1 4.4Å; L14-F73 HydrophobicContact CD1-CB 4.22Å; L14-F73 HydrophobicContact CD1-CD1 3.55Å; L14-F73 HydrophobicContact CD1-CE1 4.13Å; L14-F73 HydrophobicContact CD1-CG 3.97Å; L14-L75 HydrophobicContact CB-CD2 4.08Å; L14-L75 HydrophobicContact CD1-CD2 4.18Å; L14-L75 HydrophobicContact CD2-CD1 4.28Å; L14-L75 HydrophobicContact CD2-CD2 3.99Å; L14-L75 HydrophobicContact CG-CD2 4.3Å
15R62.7Low63.1Low207 Ų207109.7 Ų109.778%0.78156%0.555SS**THydrogen-bonded Turntrans-74.6-17.3-176.5-164171.8179.3175.81.2113.1E13E13-R15 PolarHBondContact O-N 3.38Å
16R70.8Confident65.1Low159 Ų159113 Ų11360%0.655%0.549SS*.EExtended strand (participates in β ladder)trans-137123.3-174.1-70.4174.5175176.4-1.9110.3L14 Q24L14-R16 VanDerWaalsContact C-N 3.26Å; L14-R16 PolarHBondContact O-N 2.66Å; R16-Q24 VanDerWaalsContact CD-OE1 3.27Å; R16-Q24 VanDerWaalsContact NE-OE1 3.08Å
17M77.5Confident67.2Low5 Ų5111.1 Ų111.13%0.02554%0.54CS..EExtended strand (participates in β ladder)trans-88.1133.2168.4-179-171.4-172.900108.5L25 V27 V58 E60 H77M17-L25 HydrophobicContact CB-CB 4.12Å; M17-L25 HydrophobicContact CG-CB 4.44Å; M17-L25 PolarHBondContact N-O 2.9Å; M17-L25 PolarHBondContact O-N 3.5Å; M17-L25 HydrophobicContact SD-CB 4.18Å; M17-L25 HydrophobicContact SD-CD1 4.07Å; M17-V27 HydrophobicContact CB-CG2 4Å; M17-V58 HydrophobicContact CE-CB 3.85Å; M17-V58 HydrophobicContact CE-CG1 3.39Å; M17-V58 WeakPolarHBondContact CE-O 3.33Å; M17-V58 HydrophobicContact SD-CB 4.44Å; M17-V58 HydrophobicContact SD-CG1 4.38Å; M17-E60 WeakPolarHBondContact CA-OE2 3.39Å; M17-E60 HydrophobicContact CE-CB 3.61Å; M17-E60 HydrophobicContact CG-CB 3.79Å; M17-E60 WeakPolarHBondContact CG-OE2 3.25Å; M17-E60 HydrophobicContact SD-CB 4.46Å; M17-H77 HydrophobicContact SD-CB 3.55Å; M17-H77 VanDerWaalsContact SD-CB 3.55Å
18R71Confident69.5Low189 Ų189111.1 Ų111.171%0.71353%0.528SS*.EExtended strand (participates in β ladder)trans-102.1110.2-178.4-173.3-179.567.3-178.4-0.3109.8E60R18-E60 PolarHBondContact N-OE2 2.71Å
19K69.9Low71.4Confident79 Ų79109.5 Ų109.534%0.34351%0.514SS..  trans-73.3149167.9-160.7-178.4-178.5-1530109.7E21 G22 E23 L25K19-E21 WeakPolarHBondContact CE-OE2 3.4Å; K19-E21 IonicContact NZ-OE2 2.92Å; K19-E21 PolarHBondContact NZ-OE2 2.79Å; K19-E21 PolarHBondContact O-N 3.08Å; K19-G22 PolarHBondContact O-N 2.95Å; K19-E23 HydrophobicContact CB-CB 4.43Å; K19-E23 PolarHBondContact N-O 2.76Å; K19-E23 VanDerWaalsContact N-O 3.1Å; K19-L25 HydrophobicContact CB-CD1 4.16Å; K19-L25 HydrophobicContact CB-CG 4.49Å; K19-L25 HydrophobicContact CD-CD1 4.36Å; K19-L25 HydrophobicContact CG-CD1 4.49Å
20N65.9Low73.1Confident173 Ų173109 Ų10993%0.92552%0.516SS*.THydrogen-bonded Turntrans-53.7-17.3176.5-69.1-27.8000114
21E68Low74.8Confident147 Ų147106.4 Ų106.469%0.68750%0.496SS*.THydrogen-bonded Turntrans-94.49.7-179.2-63.6175.6154.300113.6K19 E23K19-E21 WeakPolarHBondContact CE-OE2 3.4Å; K19-E21 IonicContact NZ-OE2 2.92Å; K19-E21 PolarHBondContact NZ-OE2 2.79Å; K19-E21 PolarHBondContact O-N 3.08Å; E21-E23 PolarHBondContact O-N 2.58Å
22G69.7Low76.4Confident62 Ų62104.4 Ų104.464%0.63949%0.487SS*.SBendtrans78.4-2.8179.400000114.6K19K19-G22 PolarHBondContact O-N 2.95Å
23E78.3Confident78.2Confident109 Ų10999.7 Ų99.751%0.50946%0.46SS..  trans-71.9132.1172.8-168.8172.5-15600110.8K19 E21 L25K19-E23 HydrophobicContact CB-CB 4.43Å; K19-E23 PolarHBondContact N-O 2.76Å; K19-E23 VanDerWaalsContact N-O 3.1Å; E21-E23 PolarHBondContact O-N 2.58Å; E23-L25 HydrophobicContact CG-CD2 4.33Å
24Q80.3Confident79.7Confident117 Ų11794 Ų9455%0.54744%0.435SS..EExtended strand (participates in β ladder)trans-91.6113.5175.9-69.3177.74.300109.1R16R16-Q24 VanDerWaalsContact CD-OE1 3.27Å; R16-Q24 VanDerWaalsContact NE-OE1 3.08Å
25L86.8Confident80.9Confident19 Ų1996.1 Ų96.110%0.09945%0.445CS..EExtended strand (participates in β ladder)trans-92146.1177.8-59.6172.9000110.3M17 K19 E23 V58 H77M17-L25 HydrophobicContact CB-CB 4.12Å; M17-L25 HydrophobicContact CG-CB 4.44Å; M17-L25 PolarHBondContact N-O 2.9Å; M17-L25 PolarHBondContact O-N 3.5Å; M17-L25 HydrophobicContact SD-CB 4.18Å; M17-L25 HydrophobicContact SD-CD1 4.07Å; K19-L25 HydrophobicContact CB-CD1 4.16Å; K19-L25 HydrophobicContact CB-CG 4.49Å; K19-L25 HydrophobicContact CD-CD1 4.36Å; K19-L25 HydrophobicContact CG-CD1 4.49Å; E23-L25 HydrophobicContact CG-CD2 4.33Å; L25-V58 HydrophobicContact CD1-CG1 4.25Å; L25-H77 HydrophobicContact CB-CB 4.2Å; L25-H77 HydrophobicContact CD1-CB 4.49Å
26R88.3Confident81.7Confident189 Ų18989.2 Ų89.271%0.71343%0.429SS*.EExtended strand (participates in β ladder)trans-74.2131.9172.6172-170.1-74.2-91.74.7108.6H77R26-H77 WeakPolarHBondContact O-CB 3.4Å; R26-H77 PolarHBondContact O-ND1 2.82Å
27V90.2Very high82.2Confident28 Ų2888.9 Ų88.917%0.1743%0.431CS..PPolyproline II helixtrans-79.6121168.9-176.60000109.3L14 M17 Y29 V30 L75L14-V27 WeakPolarHBondContact O-CG2 3.13Å; M17-V27 HydrophobicContact CB-CG2 4Å; V27-Y29 VanDerWaalsContact CG1-O 3.26Å; V27-Y29 WeakPolarHBondContact CG1-O 3.49Å; V27-V30 HydrophobicContact CG1-CG2 3.63Å; V27-L75 HydrophobicContact CG1-CB 4.22Å; V27-L75 HydrophobicContact CG1-CD2 4.33Å; V27-L75 HydrophobicContact CG2-CB 4.12Å; V27-L75 HydrophobicContact CG2-CD1 4.32Å
28D91.1Very high82Confident56 Ų5693.9 Ų93.930%0.29946%0.464SS..  trans-95.4-38.4178.1-63-62.4000111.2I76 H77 A78D28-I76 PolarHBondContact N-O 2.86Å; D28-H77 IonicContact OD2-ND1 3.59Å; D28-H77 PolarHBondContact OD2-ND1 2.66Å; D28-A78 PolarHBondContact OD2-N 3.07Å
29Y91.8Very high82.2Confident165 Ų16587.2 Ų87.265%0.64745%0.447SS*.EExtended strand (participates in β ladder)trans-137.2154.6176.1-62.8-86.9000111.3V27 I76V27-Y29 VanDerWaalsContact CG1-O 3.26Å; V27-Y29 WeakPolarHBondContact CG1-O 3.49Å; Y29-I76 PolarHBondContact N-O 3.26Å; Y29-I76 PolarHBondContact O-N 2.97Å
30V91.1Very high82.4Confident45 Ų4592.4 Ų92.427%0.27347%0.472SS..EExtended strand (participates in β ladder)trans-128.2123.6172.4-178.40000108.3L14 V27 V32 F73 V74 L75L14-V30 HydrophobicContact CD1-CG1 4.4Å; V27-V30 HydrophobicContact CG1-CG2 3.63Å; V30-V32 HydrophobicContact CG1-CG2 4Å; V30-F73 HydrophobicContact CG1-CB 4.45Å; V30-F73 HydrophobicContact CG1-CD1 4.08Å; V30-V74 CarbonylContact C-O 3.55Å; V30-V74 WeakPolarHBondContact CA-O 3.43Å; V30-L75 HydrophobicContact CG1-CD2 4.1Å; V30-L75 HydrophobicContact CG2-CD2 3.86Å
31L91.5Very high83.1Confident53 Ų5388 Ų8828%0.27745%0.448SS..EExtended strand (participates in β ladder)trans-96.6143.5166.9-48176.5000109F48 L52 F73 V74 I76L31-F48 HydrophobicContact CD1-CD1 4.49Å; L31-F48 HydrophobicContact CD1-CE1 3.88Å; L31-L52 HydrophobicContact CD1-CD1 4.38Å; L31-F73 CarbonylContact O-C 3.59Å; L31-F73 WeakPolarHBondContact O-CA 3.4Å; L31-V74 HydrophobicContact CB-CB 4.03Å; L31-V74 HydrophobicContact CB-CG2 4.38Å; L31-V74 HydrophobicContact CD1-CB 4.48Å; L31-V74 HydrophobicContact CG-CB 4.48Å; L31-V74 PolarHBondContact N-O 3.41Å; L31-V74 PolarHBondContact O-N 3.1Å; L31-I76 HydrophobicContact CD1-CD1 3.74Å; L31-I76 HydrophobicContact CD2-CD1 4.21Å; L31-I76 HydrophobicContact CG-CD1 3.66Å
32V89Confident84Confident51 Ų5183.4 Ų83.431%0.30943%0.428SS..EExtended strand (participates in β ladder)trans-131.2131.3179-171.80000109.3I6 V30 Y71 C72 F73I6-V32 HydrophobicContact CD1-CG2 3.71Å; V30-V32 HydrophobicContact CG1-CG2 4Å; V32-Y71 HydrophobicContact CG1-CD1 4.15Å; V32-C72 WeakPolarHBondContact CA-O 3.27Å; V32-F73 HydrophobicContact CB-CD1 4.47Å; V32-F73 HydrophobicContact CB-CE1 4.48Å; V32-F73 HydrophobicContact CG1-CD1 4.21Å; V32-F73 HydrophobicContact CG1-CE1 3.9Å; V32-F73 HydrophobicContact CG1-CZ 4.22Å; V32-F73 HydrophobicContact CG2-CD1 3.56Å; V32-F73 HydrophobicContact CG2-CE1 3.7Å
33Y88.6Confident84.9Confident57 Ų5788.3 Ų88.322%0.22444%0.435CS..EExtended strand (participates in β ladder)trans-141.2153.4171.865-88.9000111.8I35 R45 Y71 C72 V74Y33-I35 HydrophobicContact CD2-CG1 4.49Å; Y33-I35 HydrophobicContact CE2-CG1 4.16Å; Y33-R45 VanDerWaalsContact CE1-CD 3.42Å; Y33-R45 VanDerWaalsContact CZ-CD 3.47Å; Y33-Y71 CarbonylContact O-C 3.57Å; Y33-Y71 WeakPolarHBondContact O-CA 3.36Å; Y33-C72 HydrophobicContact CD1-CB 3.94Å; Y33-C72 HydrophobicContact CD2-CB 4.08Å; Y33-C72 HydrophobicContact CE1-CB 3.41Å; Y33-C72 VanDerWaalsContact CE1-CB 3.41Å; Y33-C72 HydrophobicContact CE2-CB 3.57Å; Y33-C72 HydrophobicContact CG-CB 4.25Å; Y33-C72 VanDerWaalsContact CZ-SG 3.53Å; Y33-C72 PolarHBondContact N-O 3.05Å; Y33-C72 PolarHBondContact O-N 2.98Å; Y33-C72 WeakPolarHBondContact OH-CB 3.4Å; Y33-C72 PolarHBondContact OH-SG 2.98Å; Y33-V74 HydrophobicContact CD1-CG2 4.38Å; Y33-V74 HydrophobicContact CE1-CG2 3.79Å
34N89.3Confident85.5Confident41 Ų4191 Ų9122%0.21944%0.44CS..EExtended strand (participates in β ladder)trans-86.9118.3-179.1-174-27.2000110S36 K37 T69 K70 Y71N34-S36 WeakPolarHBondContact OD1-CA 3.22Å; N34-S36 WeakPolarHBondContact OD1-CB 3.36Å; N34-S36 PolarHBondContact OD1-N 3.04Å; N34-S36 PolarHBondContact OD1-OG 3.37Å; N34-K37 PolarHBondContact OD1-N 3.22Å; N34-T69 WeakPolarHBondContact ND2-CG2 3.05Å; N34-K70 PolarHBondContact OD1-O 2.8Å; N34-Y71 HydrophobicContact CB-CD1 4.2Å; N34-Y71 HydrophobicContact CB-CE1 4.06Å
35I87.1Confident86.1Confident68 Ų6887.8 Ų87.835%0.34942%0.423SS..SBendtrans-79.4-30.2179.7-49.4174.7000111Y33 K37 T63 K70 C72Y33-I35 HydrophobicContact CD2-CG1 4.49Å; Y33-I35 HydrophobicContact CE2-CG1 4.16Å; I35-K37 PolarHBondContact O-N 3.43Å; I35-T63 HydrophobicContact CD1-CG2 3.4Å; I35-T63 VanDerWaalsContact CD1-CG2 3.4Å; I35-K70 HydrophobicContact CB-CB 4.1Å; I35-K70 HydrophobicContact CD1-CB 4.45Å; I35-K70 PolarHBondContact N-O 2.94Å; I35-C72 HydrophobicContact CD1-CB 3.7Å; I35-C72 HydrophobicContact CG1-CB 3.76Å
36S80.2Confident86.3Confident62 Ų6290.5 Ų90.543%0.43444%0.438SS..SBendtrans-69.1-14.9-177.171.70000114N34 P38N34-S36 WeakPolarHBondContact OD1-CA 3.22Å; N34-S36 WeakPolarHBondContact OD1-CB 3.36Å; N34-S36 PolarHBondContact OD1-N 3.04Å; N34-S36 PolarHBondContact OD1-OG 3.37Å; S36-P38 WeakPolarHBondContact O-CD 3.46Å
37K81Confident86.7Confident151 Ų15188.8 Ų88.866%0.65744%0.436SS*.SBendtrans-115.984.3177.7-66.6-177.7-177.7176.10109.1N34 I35 S39N34-K37 PolarHBondContact OD1-N 3.22Å; I35-K37 PolarHBondContact O-N 3.43Å; K37-S39 PolarHBondContact O-N 3.21Å
38P72.4Confident86.9Confident110 Ų11091 Ų9171%0.71444%0.443SS*.  trans-56.4128.8174.824.4-33.1000108.6S36S36-P38 WeakPolarHBondContact O-CD 3.46Å
39S75.3Confident87.1Confident50 Ų5088.7 Ų88.735%0.3543%0.431SS..  trans-116.7154.8-175.873.90000109K37 D41 D42K37-S39 PolarHBondContact O-N 3.21Å; S39-D41 PolarHBondContact O-N 3.05Å; S39-D41 PolarHBondContact OG-N 2.86Å; S39-D42 PolarHBondContact O-N 3.34Å; S39-D42 PolarHBondContact OG-OD1 2.92Å
40H73.7Confident87.3Confident188 Ų18885 Ų8587%0.8742%0.422SS*.THydrogen-bonded Turntrans-60.5-4.7170.2-72-72.3000113.5
41D82.5Confident87.6Confident80 Ų8087.1 Ų87.143%0.42843%0.429SS..THydrogen-bonded Turntrans-95.36.2-179.6-62.7-36.1000113.1S39 E43 R44 R45S39-D41 PolarHBondContact O-N 3.05Å; S39-D41 PolarHBondContact OG-N 2.86Å; D41-E43 PolarHBondContact O-N 3.03Å; D41-R44 PolarHBondContact O-N 2.81Å; D41-R44 VanDerWaalsContact O-N 3.15Å; D41-R44 IonicContact OD1-CZ 3.32Å; D41-R44 IonicContact OD1-NH1 3.02Å; D41-R44 PolarHBondContact OD1-NH1 2.72Å; D41-R45 PolarHBondContact O-N 3.17Å
42D86.3Confident87.8Confident50 Ų5085.8 Ų85.827%0.26742%0.422SS..Hα-helixtrans-60.4-46.8-179.8-68.7-16.6000111.7S39 R44 R45 D46S39-D42 PolarHBondContact O-N 3.34Å; S39-D42 PolarHBondContact OG-OD1 2.92Å; D42-R44 VanDerWaalsContact C-N 3.29Å; D42-R44 PolarHBondContact O-N 3.26Å; D42-R45 VanDerWaalsContact CG-NH2 3.32Å; D42-R45 WeakPolarHBondContact O-CB 3.35Å; D42-R45 PolarHBondContact O-N 2.8Å; D42-R45 IonicContact OD1-CZ 3.38Å; D42-R45 IonicContact OD1-NH1 2.75Å; D42-R45 PolarHBondContact OD1-NH1 3.31Å; D42-R45 IonicContact OD1-NH2 2.76Å; D42-R45 PolarHBondContact OD1-NH2 3.27Å; D42-D46 VanDerWaalsContact O-CG 3.31Å; D42-D46 PolarHBondContact O-N 2.85Å
43E88.7Confident88.2Confident166 Ų16687.1 Ų87.178%0.77643%0.425SS*.Hα-helixtrans-62.6-34.3174.9-65.4178.6178.900112.8D41 F47D41-E43 PolarHBondContact O-N 3.03Å; E43-F47 WeakPolarHBondContact O-CB 3.46Å; E43-F47 PolarHBondContact O-N 3.38Å
44R90.9Very high88.6Confident164 Ų16491 Ų9162%0.61945%0.45SS*.Hα-helixtrans-71.5-34.3178.8-67.6-176179106.810.1111.7D41 D42 F48D41-R44 PolarHBondContact O-N 2.81Å; D41-R44 VanDerWaalsContact O-N 3.15Å; D41-R44 IonicContact OD1-CZ 3.32Å; D41-R44 IonicContact OD1-NH1 3.02Å; D41-R44 PolarHBondContact OD1-NH1 2.72Å; D42-R44 VanDerWaalsContact C-N 3.29Å; D42-R44 PolarHBondContact O-N 3.26Å; R44-F48 VanDerWaalsContact O-CB 3.28Å; R44-F48 WeakPolarHBondContact O-CB 3.36Å; R44-F48 PolarHBondContact O-N 3.02Å
45R92.1Very high88.9Confident50 Ų5092.3 Ų92.319%0.18945%0.454CS..Hα-helixtrans-68-48.3175.6177.1-174.758.8-108.2-4.3110Y33 D41 D42 F47 F48 E49Y33-R45 VanDerWaalsContact CE1-CD 3.42Å; Y33-R45 VanDerWaalsContact CZ-CD 3.47Å; D41-R45 PolarHBondContact O-N 3.17Å; D42-R45 VanDerWaalsContact CG-NH2 3.32Å; D42-R45 WeakPolarHBondContact O-CB 3.35Å; D42-R45 PolarHBondContact O-N 2.8Å; D42-R45 IonicContact OD1-CZ 3.38Å; D42-R45 IonicContact OD1-NH1 2.75Å; D42-R45 PolarHBondContact OD1-NH1 3.31Å; D42-R45 IonicContact OD1-NH2 2.76Å; D42-R45 PolarHBondContact OD1-NH2 3.27Å; R45-F47 VanDerWaalsContact C-N 3.33Å; R45-F47 PolarHBondContact O-N 3.33Å; R45-F48 WeakPolarHBondContact O-CB 3.43Å; R45-F48 PolarHBondContact O-N 3.05Å; R45-E49 WeakPolarHBondContact CD-OE1 3.48Å; R45-E49 HydrophobicContact CG-CG 4.35Å; R45-E49 VanDerWaalsContact CG-OE1 3.27Å; R45-E49 WeakPolarHBondContact CG-OE1 3.36Å; R45-E49 WeakPolarHBondContact O-CG 3.36Å; R45-E49 PolarHBondContact O-N 2.75Å
46D92.4Very high89.2Confident77 Ų7790.8 Ų90.841%0.41246%0.455SS..Hα-helixtrans-60.2-46.9-180-61.9-7.4000109.9D42 F48 E49 D50D42-D46 VanDerWaalsContact O-CG 3.31Å; D42-D46 PolarHBondContact O-N 2.85Å; D46-F48 VanDerWaalsContact C-N 3.3Å; D46-F48 PolarHBondContact O-N 2.91Å; D46-E49 PolarHBondContact O-N 3.23Å; D46-D50 WeakPolarHBondContact O-CB 3.26Å; D46-D50 VanDerWaalsContact O-CG 3.24Å; D46-D50 PolarHBondContact O-N 2.71Å
47F94.8Very high89.9Confident153 Ų15388.9 Ų88.967%0.67144%0.44SS*.Hα-helixtrans-58.2-39173.5-178.7-94000113.6E43 R45 H51E43-F47 WeakPolarHBondContact O-CB 3.46Å; E43-F47 PolarHBondContact O-N 3.38Å; R45-F47 VanDerWaalsContact C-N 3.33Å; R45-F47 PolarHBondContact O-N 3.33Å; F47-H51 WeakPolarHBondContact O-CB 3.48Å; F47-H51 PolarHBondContact O-N 2.91Å; F47-H51 VanDerWaalsContact O-N 3.09Å
48F95Very high90.5Very high74 Ų7483.9 Ų83.933%0.32542%0.422SS..Hα-helixtrans-68.9-44.4178.8177.1-109.3000111.7L31 R44 R45 D46 H51 L52L31-F48 HydrophobicContact CD1-CD1 4.49Å; L31-F48 HydrophobicContact CD1-CE1 3.88Å; R44-F48 VanDerWaalsContact O-CB 3.28Å; R44-F48 WeakPolarHBondContact O-CB 3.36Å; R44-F48 PolarHBondContact O-N 3.02Å; R45-F48 WeakPolarHBondContact O-CB 3.43Å; R45-F48 PolarHBondContact O-N 3.05Å; D46-F48 VanDerWaalsContact C-N 3.3Å; D46-F48 PolarHBondContact O-N 2.91Å; F48-H51 PolarHBondContact O-N 2.82Å; F48-L52 HydrophobicContact CD1-CD1 4.2Å; F48-L52 HydrophobicContact CE1-CD1 3.7Å; F48-L52 HydrophobicContact CE1-CG 4.29Å; F48-L52 HydrophobicContact CE2-CD2 4.3Å; F48-L52 HydrophobicContact CZ-CD1 4Å; F48-L52 HydrophobicContact CZ-CD2 4.08Å; F48-L52 HydrophobicContact CZ-CG 4.25Å; F48-L52 WeakPolarHBondContact O-CG 3.48Å; F48-L52 PolarHBondContact O-N 2.88Å; F48-L52 VanDerWaalsContact O-N 3.08Å
49E95.1Very high91.6Very high8 Ų879.6 Ų79.64%0.03739%0.393CS..Hα-helixtrans-66.4-42.1178.8-69.4-179-160.700112R45 D46 H51 L52 E53 L59 R61R45-E49 WeakPolarHBondContact CD-OE1 3.48Å; R45-E49 HydrophobicContact CG-CG 4.35Å; R45-E49 VanDerWaalsContact CG-OE1 3.27Å; R45-E49 WeakPolarHBondContact CG-OE1 3.36Å; R45-E49 WeakPolarHBondContact O-CG 3.36Å; R45-E49 PolarHBondContact O-N 2.75Å; D46-E49 PolarHBondContact O-N 3.23Å; E49-H51 VanDerWaalsContact C-N 3.29Å; E49-H51 PolarHBondContact O-N 3.2Å; E49-L52 WeakPolarHBondContact O-CB 3.43Å; E49-L52 PolarHBondContact O-N 2.83Å; E49-L52 VanDerWaalsContact O-N 3.14Å; E49-E53 PolarHBondContact O-N 3.38Å; E49-E53 VanDerWaalsContact O-N 3.12Å; E49-L59 HydrophobicContact CB-CD2 3.99Å; E49-L59 HydrophobicContact CG-CD2 4.23Å; E49-R61 IonicContact OE2-CZ 2.72Å; E49-R61 IonicContact OE2-NE 3.89Å; E49-R61 PolarHBondContact OE2-NE 2.68Å; E49-R61 IonicContact OE2-NH2 3.76Å; E49-R61 PolarHBondContact OE2-NH2 3.27Å
50D96.5Very high92.3Very high88 Ų8879.6 Ų79.647%0.47139%0.387SS..Hα-helixtrans-57.9-43.8173.1-71.2-10.8000110.7D46 L52 E53 D54D46-D50 WeakPolarHBondContact O-CB 3.26Å; D46-D50 VanDerWaalsContact O-CG 3.24Å; D46-D50 PolarHBondContact O-N 2.71Å; D50-L52 VanDerWaalsContact C-N 3.31Å; D50-L52 PolarHBondContact O-N 3.33Å; D50-E53 PolarHBondContact O-N 3.24Å; D50-D54 WeakPolarHBondContact O-CB 3.27Å; D50-D54 PolarHBondContact O-N 2.82Å
51H97.1Very high93.1Very high88 Ų8875.3 Ų75.341%0.40736%0.364SS..Hα-helixtrans-63.8-34.4177.4-174.659.7000113.1F47 F48 E49 D54 E55F47-H51 WeakPolarHBondContact O-CB 3.48Å; F47-H51 PolarHBondContact O-N 2.91Å; F47-H51 VanDerWaalsContact O-N 3.09Å; F48-H51 PolarHBondContact O-N 2.82Å; E49-H51 VanDerWaalsContact C-N 3.29Å; E49-H51 PolarHBondContact O-N 3.2Å; H51-D54 PolarHBondContact O-N 2.91Å; H51-E55 IonicContact CE1-OE1 3.56Å; H51-E55 WeakPolarHBondContact O-CG 3.37Å; H51-E55 PolarHBondContact O-N 3.48Å
52L96.5Very high93.4Very high25 Ų2573.1 Ų73.113%0.13135%0.353CS..Hα-helixtrans-66.5-42.8175.4-66.1177.5000111.3L31 F48 E49 D50 E55 G56 L57 L59 I76L31-L52 HydrophobicContact CD1-CD1 4.38Å; F48-L52 HydrophobicContact CD1-CD1 4.2Å; F48-L52 HydrophobicContact CE1-CD1 3.7Å; F48-L52 HydrophobicContact CE1-CG 4.29Å; F48-L52 HydrophobicContact CE2-CD2 4.3Å; F48-L52 HydrophobicContact CZ-CD1 4Å; F48-L52 HydrophobicContact CZ-CD2 4.08Å; F48-L52 HydrophobicContact CZ-CG 4.25Å; F48-L52 WeakPolarHBondContact O-CG 3.48Å; F48-L52 PolarHBondContact O-N 2.88Å; F48-L52 VanDerWaalsContact O-N 3.08Å; E49-L52 WeakPolarHBondContact O-CB 3.43Å; E49-L52 PolarHBondContact O-N 2.83Å; E49-L52 VanDerWaalsContact O-N 3.14Å; D50-L52 VanDerWaalsContact C-N 3.31Å; D50-L52 PolarHBondContact O-N 3.33Å; L52-E55 PolarHBondContact O-N 3.03Å; L52-G56 PolarHBondContact O-N 2.72Å; L52-L57 HydrophobicContact CB-CB 4.43Å; L52-L57 HydrophobicContact CB-CD1 3.99Å; L52-L57 HydrophobicContact CD2-CD1 3.68Å; L52-L57 HydrophobicContact CG-CD1 4.3Å; L52-L57 VanDerWaalsContact O-CB 3.3Å; L52-L57 WeakPolarHBondContact O-CB 3.48Å; L52-L57 PolarHBondContact O-N 3.15Å; L52-L59 HydrophobicContact CB-CD1 3.95Å; L52-L59 HydrophobicContact CB-CD2 4.27Å; L52-L59 HydrophobicContact CD1-CD2 4.26Å; L52-I76 HydrophobicContact CD1-CD1 3.97Å
53E96.1Very high93.6Very high79 Ų7974.7 Ų74.737%0.36936%0.364SS..Hα-helixtrans-63.8-42.5175.6-68.6-178.9-178.100111.1E49 D50 E55 G56 L59 R61E49-E53 PolarHBondContact O-N 3.38Å; E49-E53 VanDerWaalsContact O-N 3.12Å; D50-E53 PolarHBondContact O-N 3.24Å; E53-E55 VanDerWaalsContact C-N 3.34Å; E53-E55 PolarHBondContact O-N 3.01Å; E53-G56 WeakPolarHBondContact O-CA 3.46Å; E53-G56 PolarHBondContact O-N 2.76Å; E53-L59 HydrophobicContact CG-CB 4.25Å; E53-L59 HydrophobicContact CG-CD1 4.14Å; E53-L59 HydrophobicContact CG-CD2 4.21Å; E53-L59 HydrophobicContact CG-CG 4.41Å; E53-R61 IonicContact OE1-CZ 3.75Å; E53-R61 IonicContact OE1-NH1 3.39Å; E53-R61 PolarHBondContact OE1-NH1 3.22Å; E53-R61 IonicContact OE1-NH2 3.2Å; E53-R61 PolarHBondContact OE1-NH2 2.87Å
54D96.8Very high93.4Very high140 Ų14071 Ų7175%0.74935%0.347SS*.Hα-helixtrans-61.8-37175.7-80.8-12000113.1D50 H51 G56D50-D54 WeakPolarHBondContact O-CB 3.27Å; D50-D54 PolarHBondContact O-N 2.82Å; H51-D54 PolarHBondContact O-N 2.91Å; D54-G56 PolarHBondContact O-N 2.92Å
55E95.5Very high93.2Very high68 Ų6868.7 Ų68.732%0.31834%0.344SS..THydrogen-bonded Turntrans-71.9-7.7174.1-77.5-64.1144.200113.2H51 L52 E53 F82 R85H51-E55 IonicContact CE1-OE1 3.56Å; H51-E55 WeakPolarHBondContact O-CG 3.37Å; H51-E55 PolarHBondContact O-N 3.48Å; L52-E55 PolarHBondContact O-N 3.03Å; E53-E55 VanDerWaalsContact C-N 3.34Å; E53-E55 PolarHBondContact O-N 3.01Å; E55-F82 HydrophobicContact CB-CE2 4.24Å; E55-F82 WeakPolarHBondContact O-CD2 3.48Å; E55-R85 IonicContact OE2-CZ 2.71Å; E55-R85 IonicContact OE2-NH1 3.07Å; E55-R85 IonicContact OE2-NH2 3.92Å
56G94.6Very high92.9Very high36 Ų3668.7 Ų68.737%0.37135%0.347SS..THydrogen-bonded Turntrans98.217.1174.900000114.7L52 E53 D54 P79L52-G56 PolarHBondContact O-N 2.72Å; E53-G56 WeakPolarHBondContact O-CA 3.46Å; E53-G56 PolarHBondContact O-N 2.76Å; D54-G56 PolarHBondContact O-N 2.92Å; G56-P79 WeakPolarHBondContact O-CD 3.41Å; G56-P79 WeakPolarHBondContact O-CG 3.34Å
57L95.4Very high92.6Very high22 Ų2272.7 Ų72.712%0.11537%0.368CS..  trans-79.7152.3169-64.6169.5000110.4L52 L59 I76 A78 F82L52-L57 HydrophobicContact CB-CB 4.43Å; L52-L57 HydrophobicContact CB-CD1 3.99Å; L52-L57 HydrophobicContact CD2-CD1 3.68Å; L52-L57 HydrophobicContact CG-CD1 4.3Å; L52-L57 VanDerWaalsContact O-CB 3.3Å; L52-L57 WeakPolarHBondContact O-CB 3.48Å; L52-L57 PolarHBondContact O-N 3.15Å; L57-L59 HydrophobicContact CB-CD1 3.88Å; L57-I76 HydrophobicContact CB-CG2 4.24Å; L57-I76 HydrophobicContact CD1-CG2 4.13Å; L57-I76 HydrophobicContact CD2-CG2 4.26Å; L57-I76 HydrophobicContact CG-CG2 4.46Å; L57-A78 HydrophobicContact CD2-CB 3.73Å; L57-F82 HydrophobicContact CD1-CZ 4.16Å; L57-F82 HydrophobicContact CD2-CD1 3.69Å; L57-F82 HydrophobicContact CD2-CD2 4.18Å; L57-F82 HydrophobicContact CD2-CE1 3.55Å; L57-F82 HydrophobicContact CD2-CE2 4.07Å; L57-F82 HydrophobicContact CD2-CG 4Å; L57-F82 HydrophobicContact CD2-CZ 3.75Å; L57-F82 HydrophobicContact CG-CD2 4.35Å; L57-F82 HydrophobicContact CG-CE1 4.29Å; L57-F82 HydrophobicContact CG-CE2 4Å; L57-F82 HydrophobicContact CG-CZ 3.96Å
58V93.9Very high92.1Very high46 Ų4668.2 Ų68.228%0.27937%0.365SS..EExtended strand (participates in β ladder)trans-104.2124.9175.5-161.60000108.2M17 L25 I76 H77 P79M17-V58 HydrophobicContact CE-CB 3.85Å; M17-V58 HydrophobicContact CE-CG1 3.39Å; M17-V58 WeakPolarHBondContact CE-O 3.33Å; M17-V58 HydrophobicContact SD-CB 4.44Å; M17-V58 HydrophobicContact SD-CG1 4.38Å; L25-V58 HydrophobicContact CD1-CG1 4.25Å; V58-I76 WeakPolarHBondContact O-CA 2.99Å; V58-H77 HydrophobicContact CB-CB 4.3Å; V58-H77 PolarHBondContact N-O 3.08Å; V58-H77 PolarHBondContact O-N 3.32Å; V58-P79 HydrophobicContact CG2-CG 3.84Å
59L93.5Very high91.7Very high19 Ų1966.4 Ų66.410%0.09936%0.36CS..EExtended strand (participates in β ladder)trans-113.1139.7-179.3-84.363000111.4E49 L52 E53 L57 V74 L75 I76E49-L59 HydrophobicContact CB-CD2 3.99Å; E49-L59 HydrophobicContact CG-CD2 4.23Å; L52-L59 HydrophobicContact CB-CD1 3.95Å; L52-L59 HydrophobicContact CB-CD2 4.27Å; L52-L59 HydrophobicContact CD1-CD2 4.26Å; E53-L59 HydrophobicContact CG-CB 4.25Å; E53-L59 HydrophobicContact CG-CD1 4.14Å; E53-L59 HydrophobicContact CG-CD2 4.21Å; E53-L59 HydrophobicContact CG-CG 4.41Å; L57-L59 HydrophobicContact CB-CD1 3.88Å; L59-V74 HydrophobicContact CB-CG1 4.19Å; L59-V74 HydrophobicContact CD2-CG1 3.75Å; L59-V74 HydrophobicContact CG-CG1 3.84Å; L59-L75 CarbonylContact C-O 3.56Å; L59-L75 WeakPolarHBondContact CA-O 3.43Å; L59-I76 HydrophobicContact CD1-CG1 4.24Å; L59-I76 HydrophobicContact CD1-CG2 4.29Å; L59-I76 HydrophobicContact CG-CG1 4.14Å
60E91.6Very high91.3Very high50 Ų5070.9 Ų70.923%0.23438%0.379CS..EExtended strand (participates in β ladder)trans-129.4130.6169.1174.9174.8-173.800108.5M17 R18 V62 V74 L75M17-E60 WeakPolarHBondContact CA-OE2 3.39Å; M17-E60 HydrophobicContact CE-CB 3.61Å; M17-E60 HydrophobicContact CG-CB 3.79Å; M17-E60 WeakPolarHBondContact CG-OE2 3.25Å; M17-E60 HydrophobicContact SD-CB 4.46Å; R18-E60 PolarHBondContact N-OE2 2.71Å; E60-V62 HydrophobicContact CG-CG2 4.21Å; E60-V74 CarbonylContact O-C 3.56Å; E60-V74 WeakPolarHBondContact O-CA 3.44Å; E60-L75 HydrophobicContact CB-CB 4.33Å; E60-L75 PolarHBondContact N-O 2.97Å; E60-L75 PolarHBondContact O-N 3.05Å
61R90.6Very high91Very high99 Ų9969.6 Ų69.637%0.37437%0.368SS..EExtended strand (participates in β ladder)trans-107.8118.9-175.4-65.1159.8-177.688.2-5.6109E49 E53 F73 V74E49-R61 IonicContact OE2-CZ 2.72Å; E49-R61 IonicContact OE2-NE 3.89Å; E49-R61 PolarHBondContact OE2-NE 2.68Å; E49-R61 IonicContact OE2-NH2 3.76Å; E49-R61 PolarHBondContact OE2-NH2 3.27Å; E53-R61 IonicContact OE1-CZ 3.75Å; E53-R61 IonicContact OE1-NH1 3.39Å; E53-R61 PolarHBondContact OE1-NH1 3.22Å; E53-R61 IonicContact OE1-NH2 3.2Å; E53-R61 PolarHBondContact OE1-NH2 2.87Å; R61-F73 WeakPolarHBondContact CA-O 3.46Å; R61-V74 HydrophobicContact CG-CG1 4.29Å; R61-V74 HydrophobicContact CG-CG2 4.3Å
62V89.1Confident90.6Very high33 Ų3365.6 Ų65.620%0.235%0.35CS..EExtended strand (participates in β ladder)trans-118.4125.7179.8-1760000108.4E60 E64 F73 L75E60-V62 HydrophobicContact CG-CG2 4.21Å; V62-E64 HydrophobicContact CG1-CG 4.31Å; V62-F73 HydrophobicContact CB-CB 4.46Å; V62-F73 PolarHBondContact N-O 3.03Å; V62-F73 PolarHBondContact O-N 2.9Å; V62-L75 HydrophobicContact CG2-CD1 4.09Å
63T88.7Confident90.3Very high83 Ų8364.8 Ų64.851%0.50935%0.345SS..EExtended strand (participates in β ladder)trans-103.1125.4177.5-62.90000109.9I35 Y71I35-T63 HydrophobicContact CD1-CG2 3.4Å; I35-T63 VanDerWaalsContact CD1-CG2 3.4Å; T63-Y71 WeakPolarHBondContact CA-O 3.28Å
64E85.9Confident90.1Very high88 Ų8861 Ų6141%0.41133%0.328SS..EExtended strand (participates in β ladder)trans-126.3149176.8-66.9-63.8144.400110.6V62 Y71 F73V62-E64 HydrophobicContact CG1-CG 4.31Å; E64-Y71 PolarHBondContact N-O 3.1Å; E64-Y71 PolarHBondContact O-N 2.87Å; E64-F73 HydrophobicContact CB-CD2 4.3Å; E64-F73 HydrophobicContact CB-CE2 3.88Å; E64-F73 HydrophobicContact CG-CD2 4.34Å; E64-F73 HydrophobicContact CG-CE2 4.27Å
65E87Confident89.8Confident117 Ų11754.4 Ų54.455%0.54729%0.293SS..EExtended strand (participates in β ladder)trans-107.6120.8175.2-169.7171.6152.300109.9K70E65-K70 HydrophobicContact CB-CG 4.33Å; E65-K70 HydrophobicContact CG-CG 4.11Å; E65-K70 WeakPolarHBondContact OE2-CE 3.14Å
66I83.7Confident89.7Confident50 Ų5051.7 Ų51.726%0.25628%0.28SS..EExtended strand (participates in β ladder)trans-127.3122-177.2-58.1166.6000107.6F9 G68 T69 Y71 F73F9-I66 HydrophobicContact CD1-CD1 3.73Å; F9-I66 HydrophobicContact CE1-CD1 3.39Å; F9-I66 HydrophobicContact CZ-CD1 4.49Å; I66-G68 PolarHBondContact O-N 2.76Å; I66-T69 PolarHBondContact N-O 2.91Å; I66-T69 WeakPolarHBondContact O-CB 3.43Å; I66-T69 PolarHBondContact O-N 2.84Å; I66-Y71 HydrophobicContact CB-CD2 4.16Å; I66-Y71 HydrophobicContact CB-CE2 4.16Å; I66-Y71 HydrophobicContact CD1-CD2 4.19Å; I66-Y71 HydrophobicContact CG1-CD2 4.45Å; I66-F73 HydrophobicContact CD1-CE2 4.49Å; I66-F73 HydrophobicContact CD1-CZ 4.15Å
67D86.1Confident89.7Confident161 Ų16151.2 Ų51.286%0.86127%0.268SS*.THydrogen-bonded Turntrans50.540.5-179.1-58.7-34.9000113.6T69D67-T69 PolarHBondContact O-N 3.18Å
68G85.4Confident89.6Confident58 Ų5850.6 Ų50.660%0.59827%0.267SS*.THydrogen-bonded Turntrans74.26.1-17900000114.8I66I66-G68 PolarHBondContact O-N 2.76Å
69T85.8Confident89.6Confident37 Ų3749.7 Ų49.723%0.22726%0.261CS..EExtended strand (participates in β ladder)trans-108.4126.5176.2-57.60000109.8N34 I66 D67 Y71N34-T69 WeakPolarHBondContact ND2-CG2 3.05Å; I66-T69 PolarHBondContact N-O 2.91Å; I66-T69 WeakPolarHBondContact O-CB 3.43Å; I66-T69 PolarHBondContact O-N 2.84Å; D67-T69 PolarHBondContact O-N 3.18Å; T69-Y71 HydrophobicContact CG2-CD2 4.24Å; T69-Y71 HydrophobicContact CG2-CE1 4.2Å; T69-Y71 HydrophobicContact CG2-CE2 3.56Å; T69-Y71 WeakPolarHBondContact O-CD2 3.39Å
70K88.6Confident89.6Confident101 Ų10155.7 Ų55.744%0.43928%0.283SS..EExtended strand (participates in β ladder)trans-84.6125.8177.6-66.2-174.3179-174.90111N34 I35 E65N34-K70 PolarHBondContact OD1-O 2.8Å; I35-K70 HydrophobicContact CB-CB 4.1Å; I35-K70 HydrophobicContact CD1-CB 4.45Å; I35-K70 PolarHBondContact N-O 2.94Å; E65-K70 HydrophobicContact CB-CG 4.33Å; E65-K70 HydrophobicContact CG-CG 4.11Å; E65-K70 WeakPolarHBondContact OE2-CE 3.14Å
71Y89Confident89.6Confident62 Ų6259.8 Ų59.824%0.24330%0.302CS..EExtended strand (participates in β ladder)trans-117.1142.3176.1-65.9-83.1000110.3V32 Y33 N34 T63 E64 I66 T69V32-Y71 HydrophobicContact CG1-CD1 4.15Å; Y33-Y71 CarbonylContact O-C 3.57Å; Y33-Y71 WeakPolarHBondContact O-CA 3.36Å; N34-Y71 HydrophobicContact CB-CD1 4.2Å; N34-Y71 HydrophobicContact CB-CE1 4.06Å; T63-Y71 WeakPolarHBondContact CA-O 3.28Å; E64-Y71 PolarHBondContact N-O 3.1Å; E64-Y71 PolarHBondContact O-N 2.87Å; I66-Y71 HydrophobicContact CB-CD2 4.16Å; I66-Y71 HydrophobicContact CB-CE2 4.16Å; I66-Y71 HydrophobicContact CD1-CD2 4.19Å; I66-Y71 HydrophobicContact CG1-CD2 4.45Å; T69-Y71 HydrophobicContact CG2-CD2 4.24Å; T69-Y71 HydrophobicContact CG2-CE1 4.2Å; T69-Y71 HydrophobicContact CG2-CE2 3.56Å; T69-Y71 WeakPolarHBondContact O-CD2 3.39Å
72C89.4Confident89.8Confident3 Ų356.9 Ų56.92%0.0229%0.292CS..EExtended strand (participates in β ladder)trans-103.2130.4166.9-171.30000108.6V32 Y33 I35V32-C72 WeakPolarHBondContact CA-O 3.27Å; Y33-C72 HydrophobicContact CD1-CB 3.94Å; Y33-C72 HydrophobicContact CD2-CB 4.08Å; Y33-C72 HydrophobicContact CE1-CB 3.41Å; Y33-C72 VanDerWaalsContact CE1-CB 3.41Å; Y33-C72 HydrophobicContact CE2-CB 3.57Å; Y33-C72 HydrophobicContact CG-CB 4.25Å; Y33-C72 VanDerWaalsContact CZ-SG 3.53Å; Y33-C72 PolarHBondContact N-O 3.05Å; Y33-C72 PolarHBondContact O-N 2.98Å; Y33-C72 WeakPolarHBondContact OH-CB 3.4Å; Y33-C72 PolarHBondContact OH-SG 2.98Å; I35-C72 HydrophobicContact CD1-CB 3.7Å; I35-C72 HydrophobicContact CG1-CB 3.76Å
73F89.6Confident90Very high8 Ų858.9 Ų58.94%0.03530%0.299CS..EExtended strand (participates in β ladder)trans-107.4115.5173.5-63.3-94.8000108.1F9 L14 V30 L31 V32 R61 V62 E64 I66F9-F73 AromaticContact CD1-CE1 3.86Å; F9-F73 HydrophobicContact CD1-CE1 3.86Å; F9-F73 AromaticContact CD1-CZ 3.68Å; F9-F73 HydrophobicContact CD1-CZ 3.68Å; F9-F73 AromaticContact CE1-CE1 3.98Å; F9-F73 HydrophobicContact CE1-CE1 3.98Å; F9-F73 AromaticContact CE1-CZ 3.58Å; F9-F73 HydrophobicContact CE1-CZ 3.58Å; L14-F73 HydrophobicContact CD1-CB 4.22Å; L14-F73 HydrophobicContact CD1-CD1 3.55Å; L14-F73 HydrophobicContact CD1-CE1 4.13Å; L14-F73 HydrophobicContact CD1-CG 3.97Å; V30-F73 HydrophobicContact CG1-CB 4.45Å; V30-F73 HydrophobicContact CG1-CD1 4.08Å; L31-F73 CarbonylContact O-C 3.59Å; L31-F73 WeakPolarHBondContact O-CA 3.4Å; V32-F73 HydrophobicContact CB-CD1 4.47Å; V32-F73 HydrophobicContact CB-CE1 4.48Å; V32-F73 HydrophobicContact CG1-CD1 4.21Å; V32-F73 HydrophobicContact CG1-CE1 3.9Å; V32-F73 HydrophobicContact CG1-CZ 4.22Å; V32-F73 HydrophobicContact CG2-CD1 3.56Å; V32-F73 HydrophobicContact CG2-CE1 3.7Å; R61-F73 WeakPolarHBondContact CA-O 3.46Å; V62-F73 HydrophobicContact CB-CB 4.46Å; V62-F73 PolarHBondContact N-O 3.03Å; V62-F73 PolarHBondContact O-N 2.9Å; E64-F73 HydrophobicContact CB-CD2 4.3Å; E64-F73 HydrophobicContact CB-CE2 3.88Å; E64-F73 HydrophobicContact CG-CD2 4.34Å; E64-F73 HydrophobicContact CG-CE2 4.27Å; I66-F73 HydrophobicContact CD1-CE2 4.49Å; I66-F73 HydrophobicContact CD1-CZ 4.15Å
74V91.6Very high90.3Very high0 Ų056.4 Ų56.40%028%0.283CS..EExtended strand (participates in β ladder)trans-97.5107.2173.6-168.50000107.6V30 L31 Y33 L59 E60 R61 I76V30-V74 CarbonylContact C-O 3.55Å; V30-V74 WeakPolarHBondContact CA-O 3.43Å; L31-V74 HydrophobicContact CB-CB 4.03Å; L31-V74 HydrophobicContact CB-CG2 4.38Å; L31-V74 HydrophobicContact CD1-CB 4.48Å; L31-V74 HydrophobicContact CG-CB 4.48Å; L31-V74 PolarHBondContact N-O 3.41Å; L31-V74 PolarHBondContact O-N 3.1Å; Y33-V74 HydrophobicContact CD1-CG2 4.38Å; Y33-V74 HydrophobicContact CE1-CG2 3.79Å; L59-V74 HydrophobicContact CB-CG1 4.19Å; L59-V74 HydrophobicContact CD2-CG1 3.75Å; L59-V74 HydrophobicContact CG-CG1 3.84Å; E60-V74 CarbonylContact O-C 3.56Å; E60-V74 WeakPolarHBondContact O-CA 3.44Å; R61-V74 HydrophobicContact CG-CG1 4.29Å; R61-V74 HydrophobicContact CG-CG2 4.3Å; V74-I76 HydrophobicContact CG1-CG1 4.39Å
75L91.8Very high90.7Very high2 Ų258.4 Ų58.41%0.0129%0.286CS..EExtended strand (participates in β ladder)trans-83.6124.6175.9-48.7-178.1000108.5L14 V27 V30 L59 E60 V62L14-L75 HydrophobicContact CB-CD2 4.08Å; L14-L75 HydrophobicContact CD1-CD2 4.18Å; L14-L75 HydrophobicContact CD2-CD1 4.28Å; L14-L75 HydrophobicContact CD2-CD2 3.99Å; L14-L75 HydrophobicContact CG-CD2 4.3Å; V27-L75 HydrophobicContact CG1-CB 4.22Å; V27-L75 HydrophobicContact CG1-CD2 4.33Å; V27-L75 HydrophobicContact CG2-CB 4.12Å; V27-L75 HydrophobicContact CG2-CD1 4.32Å; V30-L75 HydrophobicContact CG1-CD2 4.1Å; V30-L75 HydrophobicContact CG2-CD2 3.86Å; L59-L75 CarbonylContact C-O 3.56Å; L59-L75 WeakPolarHBondContact CA-O 3.43Å; E60-L75 HydrophobicContact CB-CB 4.33Å; E60-L75 PolarHBondContact N-O 2.97Å; E60-L75 PolarHBondContact O-N 3.05Å; V62-L75 HydrophobicContact CG2-CD1 4.09Å
76I93.4Very high91Very high10 Ų1055.5 Ų55.55%0.05127%0.273CS..EExtended strand (participates in β ladder)trans-114.8124.3-177-57.5171.6000108.6D28 Y29 L31 L52 L57 V58 L59 V74D28-I76 PolarHBondContact N-O 2.86Å; Y29-I76 PolarHBondContact N-O 3.26Å; Y29-I76 PolarHBondContact O-N 2.97Å; L31-I76 HydrophobicContact CD1-CD1 3.74Å; L31-I76 HydrophobicContact CD2-CD1 4.21Å; L31-I76 HydrophobicContact CG-CD1 3.66Å; L52-I76 HydrophobicContact CD1-CD1 3.97Å; L57-I76 HydrophobicContact CB-CG2 4.24Å; L57-I76 HydrophobicContact CD1-CG2 4.13Å; L57-I76 HydrophobicContact CD2-CG2 4.26Å; L57-I76 HydrophobicContact CG-CG2 4.46Å; V58-I76 WeakPolarHBondContact O-CA 2.99Å; L59-I76 HydrophobicContact CD1-CG1 4.24Å; L59-I76 HydrophobicContact CD1-CG2 4.29Å; L59-I76 HydrophobicContact CG-CG1 4.14Å; V74-I76 HydrophobicContact CG1-CG1 4.39Å
77H93.5Very high91.6Very high26 Ų2653.7 Ų53.712%0.1227%0.266CS..EExtended strand (participates in β ladder)trans-109.2133.3168172.860.4000110.1M17 L25 R26 D28 V58 P79M17-H77 HydrophobicContact SD-CB 3.55Å; M17-H77 VanDerWaalsContact SD-CB 3.55Å; L25-H77 HydrophobicContact CB-CB 4.2Å; L25-H77 HydrophobicContact CD1-CB 4.49Å; R26-H77 WeakPolarHBondContact O-CB 3.4Å; R26-H77 PolarHBondContact O-ND1 2.82Å; D28-H77 IonicContact OD2-ND1 3.59Å; D28-H77 PolarHBondContact OD2-ND1 2.66Å; V58-H77 HydrophobicContact CB-CB 4.3Å; V58-H77 PolarHBondContact N-O 3.08Å; V58-H77 PolarHBondContact O-N 3.32Å; H77-P79 WeakPolarHBondContact O-CD 3.44Å
78A94.3Very high91.9Very high10 Ų1050.1 Ų50.18%0.08324%0.244CC..  trans-99109.6172.200000110.2D28 L57 F82 Q83D28-A78 PolarHBondContact OD2-N 3.07Å; L57-A78 HydrophobicContact CD2-CB 3.73Å; A78-F82 HydrophobicContact CB-CD1 3.87Å; A78-F82 HydrophobicContact CB-CE1 4.4Å; A78-Q83 HydrophobicContact CB-CG 3.95Å; A78-Q83 PolarHBondContact O-NE2 3.07Å
79P93.7Very high92.3Very high26 Ų2652 Ų5217%0.16924%0.243CC..  trans-56.5155.4173.8-26.136.3000112.1G56 V58 H77 E81 F82 Q83G56-P79 WeakPolarHBondContact O-CD 3.41Å; G56-P79 WeakPolarHBondContact O-CG 3.34Å; V58-P79 HydrophobicContact CG2-CG 3.84Å; H77-P79 WeakPolarHBondContact O-CD 3.44Å; P79-E81 VanDerWaalsContact C-N 3.25Å; P79-E81 PolarHBondContact O-N 3.3Å; P79-F82 WeakPolarHBondContact O-CB 3.3Å; P79-F82 PolarHBondContact O-N 3.43Å; P79-Q83 PolarHBondContact O-N 2.89Å
80W92.2Very high92.7Very high145 Ų14556.6 Ų56.655%0.54927%0.266SS..Hα-helixtrans-57.4-40.4-177-178.2-116.4000112.3F82 Q83 I84 L138W80-F82 VanDerWaalsContact C-N 3.31Å; W80-F82 PolarHBondContact O-N 2.92Å; W80-Q83 WeakPolarHBondContact O-CB 3.41Å; W80-Q83 PolarHBondContact O-N 3.43Å; W80-Q83 VanDerWaalsContact O-N 3.14Å; W80-I84 HydrophobicContact CD2-CD1 4.44Å; W80-I84 HydrophobicContact CD2-CG1 4.44Å; W80-I84 HydrophobicContact CG-CD1 4.27Å; W80-I84 HydrophobicContact CZ2-CG1 4.4Å; W80-I84 VanDerWaalsContact NE1-CD1 3.34Å; W80-I84 WeakPolarHBondContact O-CG1 3.1Å; W80-I84 PolarHBondContact O-N 2.7Å; W80-L138 HydrophobicContact CZ2-CD1 4.46Å
81E92.7Very high93Very high136 Ų13658.4 Ų58.464%0.63627%0.274SS*.Hα-helixtrans-60.9-40.8177.6-65.570.1-155.600111.7P79 R85P79-E81 VanDerWaalsContact C-N 3.25Å; P79-E81 PolarHBondContact O-N 3.3Å; E81-R85 PolarHBondContact O-N 3.14Å
82F94.5Very high93.1Very high38 Ų3860.2 Ų60.217%0.16729%0.286CS..Hα-helixtrans-64.2-46.4174.2179.7-87.7000110.6E55 L57 A78 P79 W80 I84 R85 Q86E55-F82 HydrophobicContact CB-CE2 4.24Å; E55-F82 WeakPolarHBondContact O-CD2 3.48Å; L57-F82 HydrophobicContact CD1-CZ 4.16Å; L57-F82 HydrophobicContact CD2-CD1 3.69Å; L57-F82 HydrophobicContact CD2-CD2 4.18Å; L57-F82 HydrophobicContact CD2-CE1 3.55Å; L57-F82 HydrophobicContact CD2-CE2 4.07Å; L57-F82 HydrophobicContact CD2-CG 4Å; L57-F82 HydrophobicContact CD2-CZ 3.75Å; L57-F82 HydrophobicContact CG-CD2 4.35Å; L57-F82 HydrophobicContact CG-CE1 4.29Å; L57-F82 HydrophobicContact CG-CE2 4Å; L57-F82 HydrophobicContact CG-CZ 3.96Å; A78-F82 HydrophobicContact CB-CD1 3.87Å; A78-F82 HydrophobicContact CB-CE1 4.4Å; P79-F82 WeakPolarHBondContact O-CB 3.3Å; P79-F82 PolarHBondContact O-N 3.43Å; W80-F82 VanDerWaalsContact C-N 3.31Å; W80-F82 PolarHBondContact O-N 2.92Å; F82-I84 VanDerWaalsContact C-N 3.35Å; F82-I84 PolarHBondContact O-N 3.27Å; F82-R85 PolarHBondContact O-N 2.74Å; F82-Q86 HydrophobicContact CD1-CG 3.8Å; F82-Q86 HydrophobicContact CE1-CG 3.37Å; F82-Q86 HydrophobicContact CE2-CG 4.17Å; F82-Q86 HydrophobicContact CG-CG 4.38Å; F82-Q86 HydrophobicContact CZ-CG 3.58Å; F82-Q86 WeakPolarHBondContact O-CG 3.31Å; F82-Q86 PolarHBondContact O-N 2.8Å
83Q93.2Very high93.1Very high76 Ų7667.9 Ų67.936%0.35531%0.314SS..Hα-helixtrans-60.4-42.6179.8-65.3-178.339.600112.3A78 P79 W80 Q86 A87A78-Q83 HydrophobicContact CB-CG 3.95Å; A78-Q83 PolarHBondContact O-NE2 3.07Å; P79-Q83 PolarHBondContact O-N 2.89Å; W80-Q83 WeakPolarHBondContact O-CB 3.41Å; W80-Q83 PolarHBondContact O-N 3.43Å; W80-Q83 VanDerWaalsContact O-N 3.14Å; Q83-Q86 PolarHBondContact O-N 2.85Å; Q83-A87 VanDerWaalsContact O-CB 3.29Å; Q83-A87 WeakPolarHBondContact O-CB 3.36Å; Q83-A87 PolarHBondContact O-N 2.95Å
84I94.1Very high93Very high31 Ų3171.2 Ų71.216%0.15933%0.331CS..Hα-helixtrans-57.6-54.1175.3-67.1168.1000109.9W80 F82 Q86 A87 E88 F133 L138W80-I84 HydrophobicContact CD2-CD1 4.44Å; W80-I84 HydrophobicContact CD2-CG1 4.44Å; W80-I84 HydrophobicContact CG-CD1 4.27Å; W80-I84 HydrophobicContact CZ2-CG1 4.4Å; W80-I84 VanDerWaalsContact NE1-CD1 3.34Å; W80-I84 WeakPolarHBondContact O-CG1 3.1Å; W80-I84 PolarHBondContact O-N 2.7Å; F82-I84 VanDerWaalsContact C-N 3.35Å; F82-I84 PolarHBondContact O-N 3.27Å; I84-Q86 VanDerWaalsContact C-N 3.31Å; I84-Q86 PolarHBondContact O-N 3.12Å; I84-A87 PolarHBondContact O-N 3.38Å; I84-E88 WeakPolarHBondContact O-CG 3.47Å; I84-E88 PolarHBondContact O-N 2.88Å; I84-F133 HydrophobicContact CB-CE1 4.23Å; I84-F133 HydrophobicContact CB-CZ 4.27Å; I84-F133 HydrophobicContact CG1-CZ 4.15Å; I84-F133 HydrophobicContact CG2-CE1 3.74Å; I84-F133 HydrophobicContact CG2-CZ 4.03Å; I84-F133 WeakPolarHBondContact O-CE1 3.25Å; I84-L138 HydrophobicContact CB-CD1 4.49Å; I84-L138 HydrophobicContact CD1-CD1 3.41Å; I84-L138 VanDerWaalsContact CD1-CD1 3.41Å; I84-L138 HydrophobicContact CG1-CD1 3.56Å; I84-L138 HydrophobicContact CG2-CD1 4.1Å
85R94.2Very high92.9Very high130 Ų13074.8 Ų74.849%0.49135%0.354SS..Hα-helixtrans-56.8-45.6-179.2178.9-179.7170.8-158.7-9.2111.2E55 E81 F82 E88 V89E55-R85 IonicContact OE2-CZ 2.71Å; E55-R85 IonicContact OE2-NH1 3.07Å; E55-R85 IonicContact OE2-NH2 3.92Å; E81-R85 PolarHBondContact O-N 3.14Å; F82-R85 PolarHBondContact O-N 2.74Å; R85-E88 PolarHBondContact O-N 2.76Å; R85-V89 WeakPolarHBondContact O-CG2 3.15Å; R85-V89 PolarHBondContact O-N 3.09Å
86Q94.8Very high92.6Very high55 Ų5579.7 Ų79.726%0.25738%0.384SS..Hα-helixtrans-66.9-39.7179-65.1-53.4-33.900112.4F82 Q83 I84 E88 V89 L90F82-Q86 HydrophobicContact CD1-CG 3.8Å; F82-Q86 HydrophobicContact CE1-CG 3.37Å; F82-Q86 HydrophobicContact CE2-CG 4.17Å; F82-Q86 HydrophobicContact CG-CG 4.38Å; F82-Q86 HydrophobicContact CZ-CG 3.58Å; F82-Q86 WeakPolarHBondContact O-CG 3.31Å; F82-Q86 PolarHBondContact O-N 2.8Å; Q83-Q86 PolarHBondContact O-N 2.85Å; I84-Q86 VanDerWaalsContact C-N 3.31Å; I84-Q86 PolarHBondContact O-N 3.12Å; Q86-E88 VanDerWaalsContact C-N 3.29Å; Q86-E88 PolarHBondContact O-N 3.27Å; Q86-V89 PolarHBondContact O-N 3.41Å; Q86-L90 VanDerWaalsContact O-CB 3.31Å; Q86-L90 WeakPolarHBondContact O-CB 3.23Å; Q86-L90 VanDerWaalsContact O-CG 3.25Å; Q86-L90 WeakPolarHBondContact O-CG 3.46Å; Q86-L90 PolarHBondContact O-N 3.37Å
87A94.6Very high92.3Very high13 Ų1386.7 Ų86.711%0.10741%0.41CS..Hα-helixtrans-63.3-35176.900000112.5Q83 I84 K91 M92 F133Q83-A87 VanDerWaalsContact O-CB 3.29Å; Q83-A87 WeakPolarHBondContact O-CB 3.36Å; Q83-A87 PolarHBondContact O-N 2.95Å; I84-A87 PolarHBondContact O-N 3.38Å; A87-K91 PolarHBondContact O-N 3.39Å; A87-M92 HydrophobicContact CB-CB 4.31Å; A87-M92 HydrophobicContact CB-SD 4.47Å; A87-M92 PolarHBondContact O-N 2.97Å; A87-F133 HydrophobicContact CB-CD1 3.54Å; A87-F133 HydrophobicContact CB-CD2 4.48Å; A87-F133 HydrophobicContact CB-CE1 3.67Å; A87-F133 HydrophobicContact CB-CG 3.96Å; A87-F133 HydrophobicContact CB-CZ 4.18Å
88E93.9Very high91.8Very high85 Ų8590.2 Ų90.240%0.39743%0.426SS..Hα-helixtrans-67.2-48.5172.5-69.7-174.8144.500112I84 R85 Q86 L90 K91 F133 G135I84-E88 WeakPolarHBondContact O-CG 3.47Å; I84-E88 PolarHBondContact O-N 2.88Å; R85-E88 PolarHBondContact O-N 2.76Å; Q86-E88 VanDerWaalsContact C-N 3.29Å; Q86-E88 PolarHBondContact O-N 3.27Å; E88-L90 VanDerWaalsContact C-N 3.31Å; E88-L90 PolarHBondContact O-N 3.04Å; E88-K91 PolarHBondContact O-N 2.86Å; E88-F133 HydrophobicContact CB-CD1 4.48Å; E88-F133 HydrophobicContact CG-CD1 3.6Å; E88-F133 HydrophobicContact CG-CE1 3.84Å; E88-G135 VanDerWaalsContact OE1-CA 3.27Å; E88-G135 WeakPolarHBondContact OE1-CA 3.27Å; E88-G135 PolarHBondContact OE1-N 2.71Å
89V93.8Very high91Very high98 Ų9891.6 Ų91.659%0.59443%0.432SS*.Hα-helixtrans-59.5-43.5178.5170.20000111R85 Q86 K91R85-V89 WeakPolarHBondContact O-CG2 3.15Å; R85-V89 PolarHBondContact O-N 3.09Å; Q86-V89 PolarHBondContact O-N 3.41Å; V89-K91 PolarHBondContact O-N 3.4Å
90L94.4Very high90.3Very high134 Ų13494.8 Ų94.870%0.70245%0.447SS*.THydrogen-bonded Turntrans-73.3-6.2177.4-67.4173.4000113.3Q86 E88 M92Q86-L90 VanDerWaalsContact O-CB 3.31Å; Q86-L90 WeakPolarHBondContact O-CB 3.23Å; Q86-L90 VanDerWaalsContact O-CG 3.25Å; Q86-L90 WeakPolarHBondContact O-CG 3.46Å; Q86-L90 PolarHBondContact O-N 3.37Å; E88-L90 VanDerWaalsContact C-N 3.31Å; E88-L90 PolarHBondContact O-N 3.04Å; L90-M92 PolarHBondContact O-N 2.82Å
91K93.2Very high89.5Confident138 Ų13893 Ų9360%0.645%0.448SS*.THydrogen-bonded Turntrans50.142.2-174.6-58.8-177.9-179.2177.90112A87 E88 V89 R93 M132A87-K91 PolarHBondContact O-N 3.39Å; E88-K91 PolarHBondContact O-N 2.86Å; V89-K91 PolarHBondContact O-N 3.4Å; K91-R93 PolarHBondContact O-N 3.28Å; K91-M132 HydrophobicContact CD-CE 4.34Å
92M91.5Very high88.2Confident101 Ų10195.7 Ų95.750%0.49846%0.461SS..PPolyproline II helixtrans-55.7136-179.4-174.9168.2161.600109.9A87 L90 M94 F133A87-M92 HydrophobicContact CB-CB 4.31Å; A87-M92 HydrophobicContact CB-SD 4.47Å; A87-M92 PolarHBondContact O-N 2.97Å; L90-M92 PolarHBondContact O-N 2.82Å; M92-M94 HydrophobicContact CE-SD 3.87Å; M92-M94 HydrophobicContact CG-SD 4.49Å; M92-F133 HydrophobicContact CB-CB 4.38Å; M92-F133 VanDerWaalsContact O-CB 3.28Å; M92-F133 WeakPolarHBondContact O-CB 3.41Å; M92-F133 PolarHBondContact O-N 3.18Å
93R89.6Confident86.7Confident164 Ų16497.6 Ų97.662%0.61948%0.475SS*.EExtended strand (participates in β ladder)trans-94.4120.5179.1-69.1-171.576.9146.93.8109.7K91 T130 A131K91-R93 PolarHBondContact O-N 3.28Å; R93-T130 PolarHBondContact NE-OG1 3.39Å; R93-T130 PolarHBondContact NH2-O 3.02Å; R93-T130 PolarHBondContact NH2-OG1 3Å; R93-A131 CarbonylContact C-O 3.56Å; R93-A131 WeakPolarHBondContact CA-O 3.25Å
94M88.8Confident85.2Confident77 Ų77104.6 Ų104.638%0.37950%0.498SS..EExtended strand (participates in β ladder)trans-96.1141.4177.2-64.3-56.4-73.300111.2M92 V96 T130 A131 F133M92-M94 HydrophobicContact CE-SD 3.87Å; M92-M94 HydrophobicContact CG-SD 4.49Å; M94-V96 PolarHBondContact O-N 2.89Å; M94-T130 WeakPolarHBondContact O-CA 3.49Å; M94-T130 WeakPolarHBondContact O-CB 3.35Å; M94-A131 PolarHBondContact N-O 3.49Å; M94-A131 PolarHBondContact O-N 2.79Å; M94-A131 VanDerWaalsContact O-N 3.1Å; M94-F133 HydrophobicContact CG-CB 4.11Å; M94-F133 HydrophobicContact CG-CD2 3.72Å; M94-F133 HydrophobicContact CG-CG 4.41Å; M94-F133 HydrophobicContact SD-CD2 4.23Å
95P89.4Confident83.7Confident76 Ų76110.5 Ų110.549%0.49452%0.522SS..EExtended strand (participates in β ladder)trans-65.8123.9168.629-32.9000109.7Y128P95-Y128 HydrophobicContact CB-CD1 3.72Å; P95-Y128 HydrophobicContact CB-CD2 4.27Å; P95-Y128 HydrophobicContact CB-CE1 4.5Å; P95-Y128 HydrophobicContact CB-CG 3.62Å
96V85.8Confident82.3Confident104 Ų104109.4 Ų109.463%0.6353%0.533SS*.EExtended strand (participates in β ladder)trans-94.9-44.9177.3-178.50000110.2M94 F129 A131M94-V96 PolarHBondContact O-N 2.89Å; V96-F129 PolarHBondContact N-O 3.31Å; V96-A131 HydrophobicContact CG2-CB 3.52Å
97R85.2Confident80.7Confident158 Ų158116.4 Ų116.460%0.59656%0.562SS**EExtended strand (participates in β ladder)trans-154.8146.6-177.8-169.1176.9173.4-177.8-8.4109.9N99 D100 Y128 F129R97-N99 PolarHBondContact O-N 3.24Å; R97-D100 IonicContact CZ-OD2 3.65Å; R97-D100 IonicContact NH2-OD2 3.31Å; R97-D100 PolarHBondContact NH2-OD2 3.06Å; R97-Y128 CarbonylContact O-C 3.49Å; R97-Y128 VanDerWaalsContact O-CA 3.25Å; R97-Y128 WeakPolarHBondContact O-CA 3.34Å; R97-Y128 WeakPolarHBondContact O-CB 3.14Å; R97-Y128 WeakPolarHBondContact O-CD1 3.28Å; R97-F129 HydrophobicContact CB-CD2 4.41Å; R97-F129 PolarHBondContact O-N 3.42Å
98E83.4Confident79.1Confident100 Ų100124.2 Ų124.247%0.46759%0.589SS.*EExtended strand (participates in β ladder)trans-59.1136.6170.2-168.5164.9-161.700109.4D100 R126 Y128E98-D100 PolarHBondContact O-N 3.37Å; E98-R126 WeakPolarHBondContact OE1-CD 3.34Å; E98-R126 IonicContact OE1-NE 2.68Å; E98-Y128 HydrophobicContact CB-CD1 4.19Å; E98-Y128 HydrophobicContact CB-CE1 3.93Å; E98-Y128 HydrophobicContact CG-CE1 4.36Å
99N77.9Confident78Confident39 Ų39122.1 Ų122.121%0.20959%0.589CS.*  trans-69.1106.5-179.3-174.54.7000108.5R97 L101 H127 F129R97-N99 PolarHBondContact O-N 3.24Å; N99-L101 VanDerWaalsContact C-N 3.27Å; N99-L101 WeakPolarHBondContact OD1-CB 3.36Å; N99-L101 VanDerWaalsContact OD1-CG 3.23Å; N99-L101 WeakPolarHBondContact OD1-CG 3.38Å; N99-L101 PolarHBondContact OD1-N 3.47Å; N99-H127 WeakPolarHBondContact CA-O 3.43Å; N99-H127 VanDerWaalsContact CB-C 3.49Å; N99-H127 HydrophobicContact CB-CB 3.57Å; N99-H127 WeakPolarHBondContact CB-O 3.44Å; N99-H127 PolarHBondContact N-O 3.35Å; N99-F129 HydrophobicContact CB-CE2 4.42Å; N99-F129 WeakPolarHBondContact OD1-CZ 3.35Å
100D79.4Confident77.1Confident92 Ų92126.7 Ų126.749%0.49260%0.596SS.*  trans-85.40.1177.657.9-3.3000112.7R97 E98 H102 F129R97-D100 IonicContact CZ-OD2 3.65Å; R97-D100 IonicContact NH2-OD2 3.31Å; R97-D100 PolarHBondContact NH2-OD2 3.06Å; E98-D100 PolarHBondContact O-N 3.37Å; D100-H102 PolarHBondContact O-N 3.14Å; D100-F129 WeakPolarHBondContact OD1-CE2 3.29Å
101L75.6Confident76.1Confident109 Ų109124.5 Ų124.557%0.57159%0.585SS**SBendtrans-68127.6168.3-57172.2000108.5N99 V103 F129N99-L101 VanDerWaalsContact C-N 3.27Å; N99-L101 WeakPolarHBondContact OD1-CB 3.36Å; N99-L101 VanDerWaalsContact OD1-CG 3.23Å; N99-L101 WeakPolarHBondContact OD1-CG 3.38Å; N99-L101 PolarHBondContact OD1-N 3.47Å; L101-V103 PolarHBondContact O-N 3.02Å; L101-F129 HydrophobicContact CD1-CE1 4.23Å; L101-F129 HydrophobicContact CD1-CZ 3.97Å; L101-F129 HydrophobicContact CG-CZ 4.01Å
102H64.8Low74.7Confident192 Ų192123 Ų12389%0.88958%0.583SS**  trans-61.186.8172.8-75.1-75.9000110.3D100 R104D100-H102 PolarHBondContact O-N 3.14Å; H102-R104 PolarHBondContact O-N 3.25Å
103V63.3Low73.5Confident77 Ų77121.1 Ų121.147%0.46758%0.584SS.*  trans-68.2103.6167.1-176.80000105.6L101 K105L101-V103 PolarHBondContact O-N 3.02Å; V103-K105 PolarHBondContact O-N 3.4Å
104R61.5Low72.5Confident224 Ų224118.1 Ų118.185%0.84558%0.58SS**  trans-55.3101.6175.8-170176178.21720.3107.2H102 P106H102-R104 PolarHBondContact O-N 3.25Å; R104-P106 VanDerWaalsContact O-N 3.09Å
105K62.4Low71.4Confident154 Ų154119.9 Ų119.967%0.6759%0.586SS**  trans-51.4122.7178-67.9-169.2179.1-171.60106.9V103 K107V103-K105 PolarHBondContact O-N 3.4Å; K105-K107 PolarHBondContact O-N 2.94Å
106P64.4Low69.9Low108 Ų108125.9 Ų125.970%0.70160%0.598SS**  trans-55.7133.4176.721.8-30.7000107.3R104 R108R104-P106 VanDerWaalsContact O-N 3.09Å; P106-R108 PolarHBondContact O-N 3.41Å
107K61.1Low69Low201 Ų201131 Ų13187%0.87461%0.607SS**  trans-57.3103.5177.1-74.2-173.1176.5-176.90107K105 G109K105-K107 PolarHBondContact O-N 2.94Å; K107-G109 PolarHBondContact O-N 3.05Å
108R61.9Low68Low178 Ų178126.3 Ų126.367%0.67260%0.602SS**  trans-64.6102.4178.4-82.6-171.6-119.8-162.8-6.9107.9P106P106-R108 PolarHBondContact O-N 3.41Å
109G69.7Low66.9Low40 Ų40127.7 Ų127.741%0.41261%0.611SS.*  trans-69.9154.3169.400000110.8K107 L111 N112K107-G109 PolarHBondContact O-N 3.05Å; G109-L111 PolarHBondContact O-N 2.83Å; G109-L111 VanDerWaalsContact O-N 3.1Å; G109-N112 PolarHBondContact O-N 3.24Å
110W76.7Confident65.9Low194 Ų194132.2 Ų132.274%0.73564%0.639SS**Hα-helixtrans-54.8-27.418070.4-74.5000113.9N112 A113 L114W110-N112 VanDerWaalsContact C-N 3.31Å; W110-N112 PolarHBondContact O-N 2.75Å; W110-A113 WeakPolarHBondContact O-CB 3.39Å; W110-A113 PolarHBondContact O-N 2.99Å; W110-L114 HydrophobicContact CE3-CD1 3.94Å; W110-L114 HydrophobicContact CZ3-CD1 3.76Å; W110-L114 PolarHBondContact O-N 3.02Å
111L72.9Confident64.5Low89 Ų89131.6 Ų131.647%0.46665%0.647SS.*Hα-helixtrans-60.3-38.2176.1-64.1175000112.5G109 A113 L114 F115G109-L111 PolarHBondContact O-N 2.83Å; G109-L111 VanDerWaalsContact O-N 3.1Å; L111-A113 VanDerWaalsContact C-N 3.28Å; L111-A113 PolarHBondContact O-N 3.41Å; L111-L114 CarbonylContact O-C 3.59Å; L111-L114 WeakPolarHBondContact O-CA 3.48Å; L111-L114 VanDerWaalsContact O-CB 3.25Å; L111-L114 WeakPolarHBondContact O-CB 3.48Å; L111-L114 PolarHBondContact O-N 3.27Å; L111-F115 WeakPolarHBondContact O-CD2 3.49Å; L111-F115 PolarHBondContact O-N 3.21Å; L111-F115 VanDerWaalsContact O-N 3.09Å
112N63.2Low63.3Low105 Ų105132.3 Ų132.356%0.56165%0.652SS**Hα-helixtrans-71.4-25.6179.9-71.82.3000112.3G109 W110 L114 F115 R116G109-N112 PolarHBondContact O-N 3.24Å; W110-N112 VanDerWaalsContact C-N 3.31Å; W110-N112 PolarHBondContact O-N 2.75Å; N112-L114 PolarHBondContact O-N 2.99Å; N112-F115 PolarHBondContact O-N 3.25Å; N112-R116 PolarHBondContact O-N 2.88Å; N112-R116 VanDerWaalsContact O-N 3.08Å
113A65.8Low63.1Low63 Ų63128.7 Ų128.752%0.52164%0.643SS.*Hα-helixtrans-65.6-33.9170.200000111W110 L111 R116W110-A113 WeakPolarHBondContact O-CB 3.39Å; W110-A113 PolarHBondContact O-N 2.99Å; L111-A113 VanDerWaalsContact C-N 3.28Å; L111-A113 PolarHBondContact O-N 3.41Å; A113-R116 WeakPolarHBondContact O-CB 3.48Å
114L69.7Low62.9Low100 Ų100131.5 Ų131.552%0.52465%0.651SS.*Hα-helixtrans-74.8-22.8175.8-111.9145.3000113.6W110 L111 N112 W117W110-L114 HydrophobicContact CE3-CD1 3.94Å; W110-L114 HydrophobicContact CZ3-CD1 3.76Å; W110-L114 PolarHBondContact O-N 3.02Å; L111-L114 CarbonylContact O-C 3.59Å; L111-L114 WeakPolarHBondContact O-CA 3.48Å; L111-L114 VanDerWaalsContact O-CB 3.25Å; L111-L114 WeakPolarHBondContact O-CB 3.48Å; L111-L114 PolarHBondContact O-N 3.27Å; N112-L114 PolarHBondContact O-N 2.99Å; L114-W117 VanDerWaalsContact O-CD1 3.25Å; L114-W117 PolarHBondContact O-NE1 3.29Å
115F65.2Low62.6Low115 Ų115124.3 Ų124.350%0.50464%0.635SS.*Hα-helixtrans-100.32.7174.5-69.9-71.5000114.1L111 N112 W117 A118L111-F115 WeakPolarHBondContact O-CD2 3.49Å; L111-F115 PolarHBondContact O-N 3.21Å; L111-F115 VanDerWaalsContact O-N 3.09Å; N112-F115 PolarHBondContact O-N 3.25Å; F115-W117 PolarHBondContact O-N 3.42Å; F115-A118 PolarHBondContact O-N 3.06Å
116R58.6Low62.7Low201 Ų201124.3 Ų124.376%0.75863%0.631SS**THydrogen-bonded Turntrans-57.7-25.5-176-163.5179.978-134.34.6113.8N112 A113N112-R116 PolarHBondContact O-N 2.88Å; N112-R116 VanDerWaalsContact O-N 3.08Å; A113-R116 WeakPolarHBondContact O-CB 3.48Å
117W65.5Low63.1Low212 Ų212123.9 Ų123.980%0.80362%0.619SS**THydrogen-bonded Turntrans-86-17.3178.955.9-85.9000113.6L114 F115L114-W117 VanDerWaalsContact O-CD1 3.25Å; L114-W117 PolarHBondContact O-NE1 3.29Å; F115-W117 PolarHBondContact O-N 3.42Å
118A64.6Low64.1Low60 Ų60118.7 Ų118.750%0.49660%0.595SS.*THydrogen-bonded Turntrans-92.8-15.4-175.500000113.6F115F115-A118 PolarHBondContact O-N 3.06Å
119I59.7Low65.2Low129 Ų129114.3 Ų114.366%0.66258%0.581SS**SBendtrans-110.8111.3179.5-57.8179.4000108.1A121I119-A121 PolarHBondContact O-N 3.1Å
120V57.7Low66.1Low133 Ų133114.9 Ų114.981%0.80658%0.577SS**  trans-33.8125.2170.5170.10000110.6D122V120-D122 PolarHBondContact O-N 2.79Å
121A49.7Very low66.8Low80 Ų80108 Ų10866%0.66156%0.56SS**  trans13.696.7167.200000114.1I119 V123I119-A121 PolarHBondContact O-N 3.1Å; A121-V123 PolarHBondContact O-N 3.36Å
122D51.7Low67.7Low123 Ų123109.3 Ų109.366%0.65857%0.566SS**  trans-57.485.9158.7-165.129.5000106.5V120 E124V120-D122 PolarHBondContact O-N 2.79Å; D122-E124 VanDerWaalsContact C-N 3.29Å; D122-E124 PolarHBondContact O-N 2.99Å
123V59.5Low69.1Low116 Ų116105.7 Ų105.770%0.70355%0.545SS*.  trans-57.6104.5164.2158.70000103.5A121 S125A121-V123 PolarHBondContact O-N 3.36Å; V123-S125 WeakPolarHBondContact O-CA 3.49Å; V123-S125 PolarHBondContact O-N 3.02Å; V123-S125 PolarHBondContact O-OG 3.39Å
124E58.8Low70.3Confident137 Ų137110.2 Ų110.264%0.6455%0.549SS*.  trans-41.8103.7-179.8-174.890.4-139.500107.2D122 R126D122-E124 VanDerWaalsContact C-N 3.29Å; D122-E124 PolarHBondContact O-N 2.99Å; E124-R126 PolarHBondContact O-N 3.38Å
125S56.2Low71.2Confident73 Ų73106.2 Ų106.251%0.5153%0.532SS..  trans-79.172.8-165.1-44.40000108.2V123 H127V123-S125 WeakPolarHBondContact O-CA 3.49Å; V123-S125 PolarHBondContact O-N 3.02Å; V123-S125 PolarHBondContact O-OG 3.39Å; S125-H127 VanDerWaalsContact C-N 3.26Å; S125-H127 PolarHBondContact O-CD2 3.41Å; S125-H127 VanDerWaalsContact O-CD2 3.27Å; S125-H127 PolarHBondContact O-N 2.87Å
126R64.4Low72.4Confident154 Ų154105.2 Ų105.258%0.58153%0.531SS*.  trans-59.9101.7159.3-71.4-171.9-173.7-178.1-0.1105.2E98 E124 Y128E98-R126 WeakPolarHBondContact OE1-CD 3.34Å; E98-R126 IonicContact OE1-NE 2.68Å; E124-R126 PolarHBondContact O-N 3.38Å; R126-Y128 HydrophobicContact CB-CD2 4.16Å; R126-Y128 HydrophobicContact CB-CE2 3.42Å; R126-Y128 VanDerWaalsContact CB-CE2 3.42Å; R126-Y128 WeakPolarHBondContact CD-OH 3.4Å; R126-Y128 WeakPolarHBondContact O-CD2 3.33Å; R126-Y128 WeakPolarHBondContact O-CE2 3.36Å; R126-Y128 PolarHBondContact O-N 3.17Å
127H72.8Confident73.7Confident99 Ų99100.1 Ų100.146%0.45852%0.515SS..  trans-66.5131.8171.2-65.3-78.3000106.2N99 S125N99-H127 WeakPolarHBondContact CA-O 3.43Å; N99-H127 VanDerWaalsContact CB-C 3.49Å; N99-H127 HydrophobicContact CB-CB 3.57Å; N99-H127 WeakPolarHBondContact CB-O 3.44Å; N99-H127 PolarHBondContact N-O 3.35Å; S125-H127 VanDerWaalsContact C-N 3.26Å; S125-H127 PolarHBondContact O-CD2 3.41Å; S125-H127 VanDerWaalsContact O-CD2 3.27Å; S125-H127 PolarHBondContact O-N 2.87Å
128Y82.2Confident74.6Confident91 Ų9193.5 Ų93.536%0.35750%0.495SS..EExtended strand (participates in β ladder)trans-115.4144.7171.4-70.4-92.9000107.8P95 R97 E98 R126 T130P95-Y128 HydrophobicContact CB-CD1 3.72Å; P95-Y128 HydrophobicContact CB-CD2 4.27Å; P95-Y128 HydrophobicContact CB-CE1 4.5Å; P95-Y128 HydrophobicContact CB-CG 3.62Å; R97-Y128 CarbonylContact O-C 3.49Å; R97-Y128 VanDerWaalsContact O-CA 3.25Å; R97-Y128 WeakPolarHBondContact O-CA 3.34Å; R97-Y128 WeakPolarHBondContact O-CB 3.14Å; R97-Y128 WeakPolarHBondContact O-CD1 3.28Å; E98-Y128 HydrophobicContact CB-CD1 4.19Å; E98-Y128 HydrophobicContact CB-CE1 3.93Å; E98-Y128 HydrophobicContact CG-CE1 4.36Å; R126-Y128 HydrophobicContact CB-CD2 4.16Å; R126-Y128 HydrophobicContact CB-CE2 3.42Å; R126-Y128 VanDerWaalsContact CB-CE2 3.42Å; R126-Y128 WeakPolarHBondContact CD-OH 3.4Å; R126-Y128 WeakPolarHBondContact O-CD2 3.33Å; R126-Y128 WeakPolarHBondContact O-CE2 3.36Å; R126-Y128 PolarHBondContact O-N 3.17Å; Y128-T130 PolarHBondContact O-N 2.94Å
129F84.9Confident75.3Confident86 Ų8698.5 Ų98.538%0.37751%0.513SS..EExtended strand (participates in β ladder)trans-63.3129.1156.5-67.2-73.5000107.4V96 R97 N99 D100 L101V96-F129 PolarHBondContact N-O 3.31Å; R97-F129 HydrophobicContact CB-CD2 4.41Å; R97-F129 PolarHBondContact O-N 3.42Å; N99-F129 HydrophobicContact CB-CE2 4.42Å; N99-F129 WeakPolarHBondContact OD1-CZ 3.35Å; D100-F129 WeakPolarHBondContact OD1-CE2 3.29Å; L101-F129 HydrophobicContact CD1-CE1 4.23Å; L101-F129 HydrophobicContact CD1-CZ 3.97Å; L101-F129 HydrophobicContact CG-CZ 4.01Å
130T89.3Confident75.7Confident53 Ų53101.5 Ų101.533%0.32552%0.524SS..EExtended strand (participates in β ladder)trans-122.4136.1-178.157.30000111.6R93 M94 Y128R93-T130 PolarHBondContact NE-OG1 3.39Å; R93-T130 PolarHBondContact NH2-O 3.02Å; R93-T130 PolarHBondContact NH2-OG1 3Å; M94-T130 WeakPolarHBondContact O-CA 3.49Å; M94-T130 WeakPolarHBondContact O-CB 3.35Å; Y128-T130 PolarHBondContact O-N 2.94Å
131A90.1Very high76.6Confident48 Ų4899.9 Ų99.940%0.39751%0.51SS..EExtended strand (participates in β ladder)trans-113.7157.3172.900000109.8R93 M94 V96R93-A131 CarbonylContact C-O 3.56Å; R93-A131 WeakPolarHBondContact CA-O 3.25Å; M94-A131 PolarHBondContact N-O 3.49Å; M94-A131 PolarHBondContact O-N 2.79Å; M94-A131 VanDerWaalsContact O-N 3.1Å; V96-A131 HydrophobicContact CG2-CB 3.52Å
132M92.3Very high78Confident117 Ų117100.9 Ų100.958%0.57650%0.502SS*.EExtended strand (participates in β ladder)trans-63.2138.5170.5-71.2-178.9178.200109.6K91K91-M132 HydrophobicContact CD-CE 4.34Å
133F92.1Very high79.5Confident30 Ų3099.7 Ų99.713%0.13249%0.494CS..  trans-57.8140.1173.6-178.2-97.1000110.4I84 A87 E88 M92 M94 L138I84-F133 HydrophobicContact CB-CE1 4.23Å; I84-F133 HydrophobicContact CB-CZ 4.27Å; I84-F133 HydrophobicContact CG1-CZ 4.15Å; I84-F133 HydrophobicContact CG2-CE1 3.74Å; I84-F133 HydrophobicContact CG2-CZ 4.03Å; I84-F133 WeakPolarHBondContact O-CE1 3.25Å; A87-F133 HydrophobicContact CB-CD1 3.54Å; A87-F133 HydrophobicContact CB-CD2 4.48Å; A87-F133 HydrophobicContact CB-CE1 3.67Å; A87-F133 HydrophobicContact CB-CG 3.96Å; A87-F133 HydrophobicContact CB-CZ 4.18Å; E88-F133 HydrophobicContact CB-CD1 4.48Å; E88-F133 HydrophobicContact CG-CD1 3.6Å; E88-F133 HydrophobicContact CG-CE1 3.84Å; M92-F133 HydrophobicContact CB-CB 4.38Å; M92-F133 VanDerWaalsContact O-CB 3.28Å; M92-F133 WeakPolarHBondContact O-CB 3.41Å; M92-F133 PolarHBondContact O-N 3.18Å; M94-F133 HydrophobicContact CG-CB 4.11Å; M94-F133 HydrophobicContact CG-CD2 3.72Å; M94-F133 HydrophobicContact CG-CG 4.41Å; M94-F133 HydrophobicContact SD-CD2 4.23Å; F133-L138 HydrophobicContact CE2-CD1 4.38Å; F133-L138 HydrophobicContact CE2-CD2 4.18Å; F133-L138 HydrophobicContact CZ-CD1 3.83Å; F133-L138 HydrophobicContact CZ-CD2 4.44Å; F133-L138 HydrophobicContact CZ-CG 4.49Å
134R90.9Very high80.7Confident157 Ų15798.8 Ų98.859%0.59248%0.481SS*.  trans-143.4103.5-174.7-81.9-164.6-168.6-165.53.3108.4D136 K137R134-D136 VanDerWaalsContact C-N 3.26Å; R134-D136 VanDerWaalsContact CB-OD1 3.3Å; R134-D136 WeakPolarHBondContact CB-OD1 3.3Å; R134-D136 PolarHBondContact O-N 3.25Å; R134-K137 HydrophobicContact CB-CB 4.35Å; R134-K137 HydrophobicContact CB-CG 3.98Å; R134-K137 PolarHBondContact O-N 3.44Å
135G89.2Confident82Confident16 Ų1696.4 Ų96.417%0.16547%0.471CS..G310 helixtrans-64.3-32.1179.600000112.4E88 K137 L138E88-G135 VanDerWaalsContact OE1-CA 3.27Å; E88-G135 WeakPolarHBondContact OE1-CA 3.27Å; E88-G135 PolarHBondContact OE1-N 2.71Å; G135-K137 PolarHBondContact O-N 3.16Å; G135-L138 PolarHBondContact O-N 3.05Å; G135-L138 VanDerWaalsContact O-N 3.16Å
136D89.3Confident83.8Confident94 Ų9497.9 Ų97.950%0.50347%0.469SS..G310 helixtrans-60.2-18.1176.373.9-59.5000113.8R134R134-D136 VanDerWaalsContact C-N 3.26Å; R134-D136 VanDerWaalsContact CB-OD1 3.3Å; R134-D136 WeakPolarHBondContact CB-OD1 3.3Å; R134-D136 PolarHBondContact O-N 3.25Å
137K86.8Confident85.1Confident95 Ų9593.9 Ų93.941%0.41346%0.461SS..G310 helixtrans-99.4-2.2-178.2-59.6-53-176.3-169.90114.9R134 G135 N139 Q140R134-K137 HydrophobicContact CB-CB 4.35Å; R134-K137 HydrophobicContact CB-CG 3.98Å; R134-K137 PolarHBondContact O-N 3.44Å; G135-K137 PolarHBondContact O-N 3.16Å; K137-N139 VanDerWaalsContact C-N 3.35Å; K137-N139 PolarHBondContact O-N 3.45Å; K137-Q140 HydrophobicContact CD-CG 4.41Å; K137-Q140 VanDerWaalsContact NZ-NE2 3.13Å
138L84.5Confident86.1Confident73 Ų7393.5 Ų93.538%0.38246%0.461SS..THydrogen-bonded Turntrans-72.8-25.5-174.5-68.1172000114.2W80 I84 F133 G135W80-L138 HydrophobicContact CZ2-CD1 4.46Å; I84-L138 HydrophobicContact CB-CD1 4.49Å; I84-L138 HydrophobicContact CD1-CD1 3.41Å; I84-L138 VanDerWaalsContact CD1-CD1 3.41Å; I84-L138 HydrophobicContact CG1-CD1 3.56Å; I84-L138 HydrophobicContact CG2-CD1 4.1Å; F133-L138 HydrophobicContact CE2-CD1 4.38Å; F133-L138 HydrophobicContact CE2-CD2 4.18Å; F133-L138 HydrophobicContact CZ-CD1 3.83Å; F133-L138 HydrophobicContact CZ-CD2 4.44Å; F133-L138 HydrophobicContact CZ-CG 4.49Å; G135-L138 PolarHBondContact O-N 3.05Å; G135-L138 VanDerWaalsContact O-N 3.16Å
139N79.5Confident86.4Confident164 Ų16493.8 Ų93.888%0.87747%0.47SS*.THydrogen-bonded Turntrans-107.216.3-177-62-26.2000113.3K137K137-N139 VanDerWaalsContact C-N 3.35Å; K137-N139 PolarHBondContact O-N 3.45Å
140Q68.1Low86.6Confident192 Ų19294.5 Ų94.590%0.89748%0.478SS*.  trans-930-178.8-63.8-162.2-13.100113.3K137K137-Q140 HydrophobicContact CD-CG 4.41Å; K137-Q140 VanDerWaalsContact NZ-NE2 3.13Å

Retrieved 140 of 140 residues in 65 ms (Link to these results)