A0A077Z8A1_TRITR Loading...

Cpn60 TCP1 domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z8A1, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 130 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
1M48.7Very low82.4Confident222 Ų222152.2 Ų152.2100%1.09474%0.738SS**  0107.10-168.9165.4-179.900105.8D3M1-D3 PolarHBondContact O-N 3.45Å
2I67.6Low82.1Confident158 Ų158152 Ų15281%0.8174%0.743SS**  trans-83.1100.6-179.2-60.5172000106.1R4I2-R4 PolarHBondContact O-N 2.92Å
3D82.2Confident82.5Confident99 Ų99153.9 Ų153.953%0.52975%0.745SS.*  trans-70114174.4-70.2-24.3000108.7M1 Y5M1-D3 PolarHBondContact O-N 3.45Å; D3-Y5 HydrophobicContact CB-CE2 4.22Å
4R82.7Confident82.6Confident198 Ų198148.1 Ų148.175%0.74775%0.746SS**  trans-91.3117.3171.5-62.5-173.2-158.2-179.76.3108I2 F6I2-R4 PolarHBondContact O-N 2.92Å; R4-F6 HydrophobicContact CB-CD2 4.42Å; R4-F6 HydrophobicContact CB-CE2 3.63Å; R4-F6 HydrophobicContact CB-CZ 3.86Å; R4-F6 WeakPolarHBondContact O-CD2 3.38Å
5Y88.1Confident83Confident206 Ų206143.9 Ų143.981%0.80873%0.73SS**  trans-86.2130172.2-59.9-80.6000109.5D3D3-Y5 HydrophobicContact CB-CE2 4.22Å
6F89.3Confident83.4Confident136 Ų136148.5 Ų148.560%0.59674%0.744SS**  trans-117.5132.4175-60.9-87.3000108.9R4 F8R4-F6 HydrophobicContact CB-CD2 4.42Å; R4-F6 HydrophobicContact CB-CE2 3.63Å; R4-F6 HydrophobicContact CB-CZ 3.86Å; R4-F6 WeakPolarHBondContact O-CD2 3.38Å; F6-F8 HydrophobicContact CB-CE2 3.94Å; F6-F8 HydrophobicContact CB-CZ 4.03Å
7T90.7Very high83.8Confident135 Ų135144.7 Ų144.783%0.82874%0.741SS**  trans-106.2123.1171-55.90000108.4
8F90.3Very high84.1Confident144 Ų144143.7 Ų143.763%0.63275%0.747SS**  trans-97.5122.2175.8-61.2-84000109F6 L21F6-F8 HydrophobicContact CB-CE2 3.94Å; F6-F8 HydrophobicContact CB-CZ 4.03Å; F8-L21 HydrophobicContact CE1-CD2 4.41Å
9V88.9Confident84.4Confident132 Ų132141.7 Ų141.780%0.875%0.754SS**  trans-97.9108.4171.8-178.20000107.4
10I90.3Very high84.8Confident148 Ų148141 Ų14176%0.75975%0.749SS**  trans-103.1118.3176.3-55.6173.3000106.5
11N87.3Confident85.1Confident96 Ų96139.2 Ų139.251%0.51374%0.74SS.*  trans-125131.4176.3-178.24.1000108.5K13 V15N11-K13 PolarHBondContact ND2-O 3.02Å; N11-K13 PolarHBondContact OD1-N 3.44Å; N11-K13 PolarHBondContact OD1-O 3.31Å; N11-V15 HydrophobicContact CB-CG2 4.16Å; N11-V15 WeakPolarHBondContact O-CG2 3.31Å
12D79.1Confident87.1Confident150 Ų150130.7 Ų130.780%0.80270%0.698SS**  trans-90.3-18.6-177.2-58-38.1000112.8
13K87.3Confident88.2Confident177 Ų177133.3 Ų133.377%0.7770%0.698SS**SBendtrans-126.2125.6-171-63.8-174.8-177.5178.20112.8N11N11-K13 PolarHBondContact ND2-O 3.02Å; N11-K13 PolarHBondContact OD1-N 3.44Å; N11-K13 PolarHBondContact OD1-O 3.31Å
14G84.4Confident88.7Confident73 Ų73130.8 Ų130.875%0.75369%0.688SS**  trans70.332.8169.200000114.9K16G14-K16 PolarHBondContact O-N 3.32Å
15V87.5Confident89.1Confident84 Ų84129.9 Ų129.951%0.50970%0.697SS.*  trans-66.1115.6-177.9-175.20000110.6N11 A17N11-V15 HydrophobicContact CB-CG2 4.16Å; N11-V15 WeakPolarHBondContact O-CG2 3.31Å; V15-A17 WeakPolarHBondContact CG1-O 3.42Å
16K90.2Very high89.4Confident218 Ų218124.5 Ų124.595%0.94868%0.682SS**  trans-94.9-20.7175.7-68.5-176178.9-1800113.7G14G14-K16 PolarHBondContact O-N 3.32Å
17A89.7Confident89.6Confident84 Ų84125.5 Ų125.569%0.69469%0.687SS**  trans-128.8131-179.200000109V15V15-A17 WeakPolarHBondContact CG1-O 3.42Å
18C89.6Confident89.8Confident127 Ų127124.3 Ų124.386%0.85868%0.675SS**  trans-113.8151.1173.162.60000109.3
19A90.5Very high90Very high105 Ų105121 Ų12187%0.86866%0.663SS**  trans-117.4124175.500000108.8
20L90.8Very high90.2Very high128 Ų128118.8 Ų118.867%0.6764%0.643SS**  trans-96.4114.6173-175.664.5000108.7L22 L37L20-L22 HydrophobicContact CD2-CD2 3.89Å; L20-L22 HydrophobicContact CG-CD2 3.95Å; L20-L22 PolarHBondContact O-N 3.29Å; L20-L37 HydrophobicContact CD2-CD1 3.95Å; L20-L37 HydrophobicContact CD2-CD2 4.21Å
21L91Very high90.4Very high104 Ų104116 Ų11655%0.54563%0.628SS.*  trans-90.3105178.2-17768.9000110.3F8F8-L21 HydrophobicContact CE1-CD2 4.41Å
22L91.3Very high90.7Very high43 Ų43117.4 Ų117.423%0.22563%0.631CS.*  trans-84.7138.1175.5-57.4178.6000111.1L20 F30 L37L20-L22 HydrophobicContact CD2-CD2 3.89Å; L20-L22 HydrophobicContact CG-CD2 3.95Å; L20-L22 PolarHBondContact O-N 3.29Å; L22-F30 HydrophobicContact CB-CD2 4.26Å; L22-F30 HydrophobicContact CB-CE2 3.74Å; L22-F30 HydrophobicContact CD1-CE2 4.34Å; L22-L37 HydrophobicContact CD1-CD1 3.58Å; L22-L37 HydrophobicContact CD2-CD1 3.6Å; L22-L37 HydrophobicContact CG-CD1 4.18Å
23R91Very high91.5Very high212 Ų212113.8 Ų113.880%0.861%0.61SS**  trans-125.7123.4176.3-64.1-175.5-177.5177.61.1109.3
24S91.9Very high91.8Very high47 Ų47108.4 Ų108.433%0.32959%0.59SS.*  trans-147.7148.2172.7179.50000109.5N26S24-N26 PolarHBondContact OG-N 3.33Å; S24-N26 PolarHBondContact OG-O 3.25Å; S24-N26 VanDerWaalsContact OG-O 3.08Å
25L92.3Very high92.3Very high179 Ų179113.3 Ų113.394%0.93759%0.586SS**SBendtrans-83.1-22.6175-63174.4000112.1
26N94.6Very high92.7Very high92 Ų92113.7 Ų113.749%0.49259%0.585SS.*  trans-112.4128.8-175.5-65.4-26.9000110.3S24 D28 I29 F30S24-N26 PolarHBondContact OG-N 3.33Å; S24-N26 PolarHBondContact OG-O 3.25Å; S24-N26 VanDerWaalsContact OG-O 3.08Å; N26-D28 VanDerWaalsContact C-N 3.29Å; N26-D28 PolarHBondContact O-N 3.14Å; N26-I29 HydrophobicContact CB-CB 4.27Å; N26-I29 HydrophobicContact CB-CD1 3.92Å; N26-I29 HydrophobicContact CB-CG1 3.98Å; N26-F30 PolarHBondContact O-N 3.45Å; N26-F30 VanDerWaalsContact O-N 3.11Å
27K93.2Very high92.9Very high158 Ų158105.6 Ų105.669%0.68755%0.552SS**Hα-helixtrans-62.4-37.1179.1-169.9-175.2175-172.70111.9F30 M31K27-F30 WeakPolarHBondContact O-CB 3.43Å; K27-F30 PolarHBondContact O-N 3.26Å; K27-M31 HydrophobicContact CG-CE 4.17Å; K27-M31 HydrophobicContact CG-CG 4.5Å; K27-M31 HydrophobicContact CG-SD 4.39Å; K27-M31 WeakPolarHBondContact O-CG 3.23Å; K27-M31 PolarHBondContact O-N 3.23Å
28D95.3Very high93.1Very high109 Ų109106 Ų10658%0.58354%0.539SS*.Hα-helixtrans-65.8-47.7-177.6-56.6-31.4000111.3N26 F30 M31 E32N26-D28 VanDerWaalsContact C-N 3.29Å; N26-D28 PolarHBondContact O-N 3.14Å; D28-F30 VanDerWaalsContact C-N 3.27Å; D28-F30 PolarHBondContact O-N 3.02Å; D28-M31 PolarHBondContact O-N 3.36Å; D28-M31 VanDerWaalsContact O-N 3.16Å; D28-M31 WeakPolarHBondContact OD1-CE 3.35Å; D28-E32 PolarHBondContact O-N 3.49Å
29I94Very high93.3Very high75 Ų75104.4 Ų104.439%0.38552%0.522SS..Hα-helixtrans-59.3-40.8173.7-58.8178.6000110.6N26 M31 E32 M33N26-I29 HydrophobicContact CB-CB 4.27Å; N26-I29 HydrophobicContact CB-CD1 3.92Å; N26-I29 HydrophobicContact CB-CG1 3.98Å; I29-M31 PolarHBondContact O-N 3.09Å; I29-E32 PolarHBondContact O-N 2.91Å; I29-M33 HydrophobicContact CG2-CG 4.17Å; I29-M33 HydrophobicContact CG2-SD 3.89Å; I29-M33 WeakPolarHBondContact O-CB 3.48Å; I29-M33 WeakPolarHBondContact O-CG 3.42Å; I29-M33 PolarHBondContact O-N 3.41Å
30F93.5Very high93.5Very high86 Ų86105.4 Ų105.438%0.37751%0.509SS..Hα-helixtrans-61.9-43.7177.6-178.4-89.1000112.1L22 N26 K27 D28 E32 M33 D34L22-F30 HydrophobicContact CB-CD2 4.26Å; L22-F30 HydrophobicContact CB-CE2 3.74Å; L22-F30 HydrophobicContact CD1-CE2 4.34Å; N26-F30 PolarHBondContact O-N 3.45Å; N26-F30 VanDerWaalsContact O-N 3.11Å; K27-F30 WeakPolarHBondContact O-CB 3.43Å; K27-F30 PolarHBondContact O-N 3.26Å; D28-F30 VanDerWaalsContact C-N 3.27Å; D28-F30 PolarHBondContact O-N 3.02Å; F30-E32 VanDerWaalsContact C-N 3.34Å; F30-M33 PolarHBondContact O-N 3.35Å; F30-D34 WeakPolarHBondContact O-CB 3.25Å; F30-D34 PolarHBondContact O-N 3.18Å
31M93.4Very high93.6Very high90 Ų90104.7 Ų104.744%0.44351%0.505SS..Hα-helixtrans-65.9-36.3177.9-69.4-175.8-61.500112.1K27 D28 I29 R35K27-M31 HydrophobicContact CG-CE 4.17Å; K27-M31 HydrophobicContact CG-CG 4.5Å; K27-M31 HydrophobicContact CG-SD 4.39Å; K27-M31 WeakPolarHBondContact O-CG 3.23Å; K27-M31 PolarHBondContact O-N 3.23Å; D28-M31 PolarHBondContact O-N 3.36Å; D28-M31 VanDerWaalsContact O-N 3.16Å; D28-M31 WeakPolarHBondContact OD1-CE 3.35Å; I29-M31 PolarHBondContact O-N 3.09Å; M31-R35 WeakPolarHBondContact O-CB 3.3Å; M31-R35 PolarHBondContact O-N 2.96Å; M31-R35 VanDerWaalsContact O-N 3.12Å
32E94.7Very high93.6Very high125 Ų125105.9 Ų105.958%0.58451%0.508SS*.Hα-helixtrans-68.3-44.3173.7-71.7-178.2171.500112.4D28 I29 F30 D34 R35 N36D28-E32 PolarHBondContact O-N 3.49Å; I29-E32 PolarHBondContact O-N 2.91Å; F30-E32 VanDerWaalsContact C-N 3.34Å; E32-D34 PolarHBondContact O-N 3.33Å; E32-R35 PolarHBondContact O-N 3.46Å; E32-N36 VanDerWaalsContact O-CG 3.27Å; E32-N36 PolarHBondContact O-N 3.46Å; E32-N36 PolarHBondContact O-OD1 2.95Å
33M95.1Very high93.6Very high73 Ų73106.5 Ų106.536%0.3651%0.513SS..Hα-helixtrans-61.4-44.2176.5-72.8177.977.100111.8I29 F30 N36 L37I29-M33 HydrophobicContact CG2-CG 4.17Å; I29-M33 HydrophobicContact CG2-SD 3.89Å; I29-M33 WeakPolarHBondContact O-CB 3.48Å; I29-M33 WeakPolarHBondContact O-CG 3.42Å; I29-M33 PolarHBondContact O-N 3.41Å; F30-M33 PolarHBondContact O-N 3.35Å; M33-N36 PolarHBondContact O-N 3.33Å; M33-L37 WeakPolarHBondContact O-CB 3.16Å; M33-L37 VanDerWaalsContact O-CG 3.32Å; M33-L37 WeakPolarHBondContact O-CG 3.47Å; M33-L37 PolarHBondContact O-N 3.1Å
34D93.6Very high93.7Very high65 Ų6599.9 Ų99.935%0.34850%0.496SS..Hα-helixtrans-61-44.1176.9-177.446.7000111.2F30 E32 L37 Q38F30-D34 WeakPolarHBondContact O-CB 3.25Å; F30-D34 PolarHBondContact O-N 3.18Å; E32-D34 PolarHBondContact O-N 3.33Å; D34-L37 PolarHBondContact O-N 3.37Å; D34-Q38 WeakPolarHBondContact O-CB 3.3Å; D34-Q38 VanDerWaalsContact O-CG 3.27Å; D34-Q38 WeakPolarHBondContact O-CG 3.32Å; D34-Q38 PolarHBondContact O-N 3.5Å; D34-Q38 PolarHBondContact OD1-NE2 3.33Å; D34-Q38 PolarHBondContact OD2-NE2 3.35Å
35R95.2Very high93.7Very high175 Ų17599.1 Ų99.166%0.6650%0.496SS*.Hα-helixtrans-59.7-50.5174.9-175.5-178.9-70.6-177.2-1.8111.9M31 E32 L37 Q38 D39M31-R35 WeakPolarHBondContact O-CB 3.3Å; M31-R35 PolarHBondContact O-N 2.96Å; M31-R35 VanDerWaalsContact O-N 3.12Å; E32-R35 PolarHBondContact O-N 3.46Å; R35-L37 VanDerWaalsContact C-N 3.32Å; R35-L37 PolarHBondContact O-N 3.34Å; R35-Q38 PolarHBondContact O-N 2.9Å; R35-D39 PolarHBondContact O-N 3.2Å
36N95.2Very high93.7Very high93 Ų9392.9 Ų92.950%0.49746%0.463SS..Hα-helixtrans-61.3-41.7-178.9-68.8-6.4000111.7E32 M33 D39 E40E32-N36 VanDerWaalsContact O-CG 3.27Å; E32-N36 PolarHBondContact O-N 3.46Å; E32-N36 PolarHBondContact O-OD1 2.95Å; M33-N36 PolarHBondContact O-N 3.33Å; N36-D39 PolarHBondContact O-N 3.47Å; N36-E40 WeakPolarHBondContact O-CB 3.47Å; N36-E40 WeakPolarHBondContact O-CG 3.41Å; N36-E40 PolarHBondContact O-N 2.9Å
37L95.5Very high93.5Very high47 Ų4790.8 Ų90.825%0.24645%0.454CS..Hα-helixtrans-66.9-41.5178.1-76.3166.3000112.2L20 L22 M33 D34 R35 D39 E40 L41L20-L37 HydrophobicContact CD2-CD1 3.95Å; L20-L37 HydrophobicContact CD2-CD2 4.21Å; L22-L37 HydrophobicContact CD1-CD1 3.58Å; L22-L37 HydrophobicContact CD2-CD1 3.6Å; L22-L37 HydrophobicContact CG-CD1 4.18Å; M33-L37 WeakPolarHBondContact O-CB 3.16Å; M33-L37 VanDerWaalsContact O-CG 3.32Å; M33-L37 WeakPolarHBondContact O-CG 3.47Å; M33-L37 PolarHBondContact O-N 3.1Å; D34-L37 PolarHBondContact O-N 3.37Å; R35-L37 VanDerWaalsContact C-N 3.32Å; R35-L37 PolarHBondContact O-N 3.34Å; L37-D39 VanDerWaalsContact C-N 3.33Å; L37-D39 PolarHBondContact O-N 3.02Å; L37-E40 PolarHBondContact O-N 2.8Å; L37-L41 VanDerWaalsContact O-CB 3.23Å; L37-L41 WeakPolarHBondContact O-CB 3.49Å; L37-L41 WeakPolarHBondContact O-CG 3.29Å; L37-L41 PolarHBondContact O-N 3.32Å
38Q94.2Very high93.5Very high93 Ų9391.6 Ų91.644%0.43546%0.458SS..Hα-helixtrans-61.5-43.8176.1-74.1175.126.800111.2D34 R35 H42D34-Q38 WeakPolarHBondContact O-CB 3.3Å; D34-Q38 VanDerWaalsContact O-CG 3.27Å; D34-Q38 WeakPolarHBondContact O-CG 3.32Å; D34-Q38 PolarHBondContact O-N 3.5Å; D34-Q38 PolarHBondContact OD1-NE2 3.33Å; D34-Q38 PolarHBondContact OD2-NE2 3.35Å; R35-Q38 PolarHBondContact O-N 2.9Å; Q38-H42 WeakPolarHBondContact O-CB 3.27Å; Q38-H42 VanDerWaalsContact O-CG 3.24Å; Q38-H42 PolarHBondContact O-N 2.98Å; Q38-H42 PolarHBondContact O-ND1 3.16Å
39D93.7Very high93.3Very high93 Ų9392.7 Ų92.750%0.49746%0.463SS..Hα-helixtrans-64.2-47.4178.6-70.6-23.4000111.7R35 N36 L37 H42 V43R35-D39 PolarHBondContact O-N 3.2Å; N36-D39 PolarHBondContact O-N 3.47Å; L37-D39 VanDerWaalsContact C-N 3.33Å; L37-D39 PolarHBondContact O-N 3.02Å; D39-H42 PolarHBondContact O-N 3.29Å; D39-V43 WeakPolarHBondContact O-CG2 3.48Å; D39-V43 PolarHBondContact O-N 3.21Å
40E93.2Very high93.1Very high127 Ų12793.3 Ų93.359%0.59347%0.467SS*.Hα-helixtrans-65.3-42.4178.3-74.7-177.6-175.400112.5N36 L37 H42 V43 V44N36-E40 WeakPolarHBondContact O-CB 3.47Å; N36-E40 WeakPolarHBondContact O-CG 3.41Å; N36-E40 PolarHBondContact O-N 2.9Å; L37-E40 PolarHBondContact O-N 2.8Å; E40-H42 VanDerWaalsContact C-N 3.34Å; E40-H42 PolarHBondContact O-N 3.26Å; E40-V43 PolarHBondContact O-N 3.07Å; E40-V44 WeakPolarHBondContact O-CB 3.26Å; E40-V44 VanDerWaalsContact O-CG2 3.3Å; E40-V44 WeakPolarHBondContact O-CG2 3.23Å; E40-V44 PolarHBondContact O-N 2.95Å
41L93.9Very high93Very high113 Ų11394.5 Ų94.559%0.59248%0.483SS*.Hα-helixtrans-64.4-38.7178.5-74.6172000111.8L37 V44 G45L37-L41 VanDerWaalsContact O-CB 3.23Å; L37-L41 WeakPolarHBondContact O-CB 3.49Å; L37-L41 WeakPolarHBondContact O-CG 3.29Å; L37-L41 PolarHBondContact O-N 3.32Å; L41-V44 PolarHBondContact O-N 2.95Å; L41-G45 PolarHBondContact O-N 2.88Å
42H91.5Very high92.8Very high129 Ų12997 Ų9760%0.59749%0.491SS*.Hα-helixtrans-64.5-41.6173.2-71.8151.9000111.9Q38 D39 E40 G45 N46Q38-H42 WeakPolarHBondContact O-CB 3.27Å; Q38-H42 VanDerWaalsContact O-CG 3.24Å; Q38-H42 PolarHBondContact O-N 2.98Å; Q38-H42 PolarHBondContact O-ND1 3.16Å; D39-H42 PolarHBondContact O-N 3.29Å; E40-H42 VanDerWaalsContact C-N 3.34Å; E40-H42 PolarHBondContact O-N 3.26Å; H42-G45 PolarHBondContact O-N 2.62Å; H42-N46 WeakPolarHBondContact O-CB 3.38Å; H42-N46 PolarHBondContact O-N 3.48Å; H42-N46 PolarHBondContact O-ND2 2.86Å
43V91.3Very high92.5Very high55 Ų5593.8 Ų93.833%0.33348%0.481SS..Hα-helixtrans-62.9-46.7175.3164.60000111.3D39 E40 N46 V47 P97 V100D39-V43 WeakPolarHBondContact O-CG2 3.48Å; D39-V43 PolarHBondContact O-N 3.21Å; E40-V43 PolarHBondContact O-N 3.07Å; V43-N46 WeakPolarHBondContact O-CB 3.43Å; V43-N46 PolarHBondContact O-N 2.98Å; V43-V47 WeakPolarHBondContact O-CG2 3.19Å; V43-V47 PolarHBondContact O-N 3.3Å; V43-P97 HydrophobicContact CG1-CG 3.89Å; V43-V100 HydrophobicContact CG2-CG2 4.44Å
44V92.4Very high92.1Very high74 Ų7492.2 Ų92.245%0.44847%0.474SS..Hα-helixtrans-63.5-44.1177.8171.70000110.7E40 L41 N46 V47 F48E40-V44 WeakPolarHBondContact O-CB 3.26Å; E40-V44 VanDerWaalsContact O-CG2 3.3Å; E40-V44 WeakPolarHBondContact O-CG2 3.23Å; E40-V44 PolarHBondContact O-N 2.95Å; L41-V44 PolarHBondContact O-N 2.95Å; V44-N46 VanDerWaalsContact C-N 3.28Å; V44-N46 PolarHBondContact O-N 3.38Å; V44-V47 WeakPolarHBondContact O-CB 3.44Å; V44-V47 PolarHBondContact O-N 2.78Å; V44-F48 HydrophobicContact CG1-CD2 3.75Å; V44-F48 HydrophobicContact CG1-CE2 3.68Å; V44-F48 WeakPolarHBondContact O-CD2 3.42Å; V44-F48 PolarHBondContact O-N 3.39Å
45G92.6Very high91.8Very high31 Ų3189.4 Ų89.432%0.3246%0.459SS..Hα-helixtrans-56.8-41.9174.300000112.3L41 H42 V47 F48 L49L41-G45 PolarHBondContact O-N 2.88Å; H42-G45 PolarHBondContact O-N 2.62Å; G45-V47 PolarHBondContact O-N 2.67Å; G45-F48 PolarHBondContact O-N 3.03Å; G45-L49 WeakPolarHBondContact O-CG 3.13Å; G45-L49 PolarHBondContact O-N 2.93Å
46N90.9Very high91.3Very high47 Ų4781.1 Ų81.125%0.25143%0.427SS..Hα-helixtrans-63.4-38.9174.3-80.6-21.2000113.2H42 V43 V44 F48 L49 N50 T99H42-N46 WeakPolarHBondContact O-CB 3.38Å; H42-N46 PolarHBondContact O-N 3.48Å; H42-N46 PolarHBondContact O-ND2 2.86Å; V43-N46 WeakPolarHBondContact O-CB 3.43Å; V43-N46 PolarHBondContact O-N 2.98Å; V44-N46 VanDerWaalsContact C-N 3.28Å; V44-N46 PolarHBondContact O-N 3.38Å; N46-F48 VanDerWaalsContact C-N 3.34Å; N46-L49 PolarHBondContact O-N 2.73Å; N46-N50 PolarHBondContact O-N 2.91Å; N46-T99 WeakPolarHBondContact CB-OG1 3.39Å
47V91.8Very high90.6Very high49 Ų4979 Ų7930%0.29743%0.428SS..Hα-helixtrans-66.3-37.7175.4174.50000111.1V43 V44 G45 N50 P51 V53 P97V43-V47 WeakPolarHBondContact O-CG2 3.19Å; V43-V47 PolarHBondContact O-N 3.3Å; V44-V47 WeakPolarHBondContact O-CB 3.44Å; V44-V47 PolarHBondContact O-N 2.78Å; G45-V47 PolarHBondContact O-N 2.67Å; V47-N50 CarbonylContact O-C 3.14Å; V47-P51 VanDerWaalsContact O-CA 3.28Å; V47-P51 WeakPolarHBondContact O-CA 3.37Å; V47-V53 HydrophobicContact CG1-CG1 4.4Å; V47-V53 HydrophobicContact CG2-CG1 4.24Å; V47-P97 HydrophobicContact CG2-CB 3.98Å
48F91.9Very high90Very high174 Ų17477.8 Ų77.876%0.76343%0.426SS*.Hα-helixtrans-65.8-40.4174.1-88.8-77.8000112.5V44 G45 N46V44-F48 HydrophobicContact CG1-CD2 3.75Å; V44-F48 HydrophobicContact CG1-CE2 3.68Å; V44-F48 WeakPolarHBondContact O-CD2 3.42Å; V44-F48 PolarHBondContact O-N 3.39Å; G45-F48 PolarHBondContact O-N 3.03Å; N46-F48 VanDerWaalsContact C-N 3.34Å
49L91.5Very high89.6Confident132 Ų13273.3 Ų73.369%0.69141%0.406SS*.Hα-helixtrans-71.1-38.8177.3-70.1172.1000112.3G45 N46G45-L49 WeakPolarHBondContact O-CG 3.13Å; G45-L49 PolarHBondContact O-N 2.93Å; N46-L49 PolarHBondContact O-N 2.73Å
50N90.9Very high89.1Confident89 Ų8970.5 Ų70.548%0.47639%0.392SS..  trans-135.5100.9179.2-74.5-64000109.7N46 V47 K52 T99N46-N50 PolarHBondContact O-N 2.91Å; V47-N50 CarbonylContact O-C 3.14Å; N50-K52 PolarHBondContact O-N 3.03Å; N50-T99 HydrophobicContact CB-CG2 4Å
51P90.8Very high88.7Confident110 Ų11068.3 Ų68.371%0.71438%0.381SS*.  trans-74.824.7-173.431.4-37000114.1V47V47-P51 VanDerWaalsContact O-CA 3.28Å; V47-P51 WeakPolarHBondContact O-CA 3.37Å
52K89.4Confident88.3Confident142 Ų14265.7 Ų65.762%0.61737%0.367SS*.  trans-95.4117.1177.6-66.9-176.5-179.8178.40109.7N50 L98N50-K52 PolarHBondContact O-N 3.03Å; K52-L98 HydrophobicContact CB-CB 4.09Å; K52-L98 HydrophobicContact CB-CD2 3.87Å; K52-L98 HydrophobicContact CD-CD2 3.84Å; K52-L98 WeakPolarHBondContact O-CB 3.23Å; K52-L98 PolarHBondContact O-N 3.02Å; K52-L98 VanDerWaalsContact O-N 3.1Å
53V88.4Confident87.9Confident59 Ų5960.9 Ų60.936%0.35835%0.347SS..EExtended strand (participates in β ladder)trans-118147.4176.7-65.50000110.3V47 R95V47-V53 HydrophobicContact CG1-CG1 4.4Å; V47-V53 HydrophobicContact CG2-CG1 4.24Å; V53-R95 HydrophobicContact CB-CB 4.45Å
54L86.7Confident87.5Confident40 Ų4063.3 Ų63.321%0.20936%0.357CS..EExtended strand (participates in β ladder)trans-109.2156.2-178.4-71173.3000110.9T60 R95 N96 L98 R101L54-T60 HydrophobicContact CD1-CG2 4.13Å; L54-T60 HydrophobicContact CD2-CG2 4.21Å; L54-R95 WeakPolarHBondContact O-CA 3.16Å; L54-N96 PolarHBondContact N-O 3.46Å; L54-N96 PolarHBondContact O-N 2.85Å; L54-L98 HydrophobicContact CD1-CB 4.41Å; L54-L98 HydrophobicContact CD1-CD1 3.62Å; L54-L98 HydrophobicContact CD2-CD1 4.23Å; L54-L98 HydrophobicContact CG-CB 4.38Å; L54-L98 HydrophobicContact CG-CD1 4.04Å; L54-R101 HydrophobicContact CD1-CB 4.15Å; L54-R101 HydrophobicContact CD1-CG 4.2Å
55P86.8Confident87.1Confident6 Ų662.1 Ų62.14%0.03936%0.355CS..EExtended strand (participates in β ladder)trans-44.9139.3162.9-13.112.8000112.9A59 T60 R89P55-A59 HydrophobicContact CB-CB 3.44Å; P55-A59 VanDerWaalsContact CB-CB 3.44Å; P55-A59 HydrophobicContact CG-CB 4.19Å; P55-T60 VanDerWaalsContact CD-OG1 3.3Å; P55-T60 WeakPolarHBondContact CD-OG1 3.46Å; P55-T60 WeakPolarHBondContact CG-OG1 3.27Å; P55-T60 PolarHBondContact O-OG1 2.84Å; P55-R89 VanDerWaalsContact CB-CD 3.47Å; P55-R89 HydrophobicContact CB-CG 3.67Å; P55-R89 HydrophobicContact CG-CG 4.26Å
56G84.5Confident86.7Confident0 Ų064.5 Ų64.50%036%0.358CS..SBendtrans-73.9-159.8161.900000113.1G58 A59 D78 V94G56-G58 PolarHBondContact O-N 3.02Å; G56-A59 PolarHBondContact O-N 3.45Å; G56-A59 VanDerWaalsContact O-N 3.07Å; G56-D78 VanDerWaalsContact O-OD2 3.05Å; G56-V94 WeakPolarHBondContact CA-O 3.38Å; G56-V94 PolarHBondContact N-O 3.37Å
57G81Confident86.3Confident49 Ų4965.6 Ų65.651%0.50537%0.373SS..THydrogen-bonded Turntrans57.70.6162.700000119.5D78G57-D78 WeakPolarHBondContact CA-OD1 3.3Å; G57-D78 VanDerWaalsContact CA-OD2 3.26Å; G57-D78 WeakPolarHBondContact CA-OD2 3.48Å; G57-D78 PolarHBondContact N-OD2 2.96Å
58G82.9Confident85.7Confident21 Ų2171 Ų7122%0.21639%0.393CS..THydrogen-bonded Turntrans95.7-4.7-172.800000113.5G56 T60 E61 M62G56-G58 PolarHBondContact O-N 3.02Å; G58-T60 PolarHBondContact O-N 3.29Å; G58-E61 VanDerWaalsContact CA-OE2 3.3Å; G58-E61 WeakPolarHBondContact CA-OE2 3.47Å; G58-E61 PolarHBondContact O-N 2.76Å; G58-E61 VanDerWaalsContact O-N 3.16Å; G58-M62 WeakPolarHBondContact O-CG 3.5Å; G58-M62 PolarHBondContact O-N 3.06Å
59A84.6Confident85.1Confident0 Ų070.6 Ų70.60%039%0.393CS..Hα-helixtrans-55.7-32.7175.700000113.7P55 G56 T63 L77 D78P55-A59 HydrophobicContact CB-CB 3.44Å; P55-A59 VanDerWaalsContact CB-CB 3.44Å; P55-A59 HydrophobicContact CG-CB 4.19Å; G56-A59 PolarHBondContact O-N 3.45Å; G56-A59 VanDerWaalsContact O-N 3.07Å; A59-T63 VanDerWaalsContact O-CB 3.29Å; A59-T63 WeakPolarHBondContact O-CB 3.48Å; A59-T63 PolarHBondContact O-N 2.78Å; A59-T63 PolarHBondContact O-OG1 3.42Å; A59-L77 WeakPolarHBondContact CB-O 3.48Å; A59-D78 HydrophobicContact CB-CB 3.59Å; A59-D78 WeakPolarHBondContact CB-OD1 3.4Å; A59-D78 PolarHBondContact N-OD1 3.49Å
60T84.9Confident84.2Confident34 Ų3467.7 Ų67.721%0.20938%0.381CS..Hα-helixtrans-64.3-47.1177.9-58.70000110.9L54 P55 G58 L64L54-T60 HydrophobicContact CD1-CG2 4.13Å; L54-T60 HydrophobicContact CD2-CG2 4.21Å; P55-T60 VanDerWaalsContact CD-OG1 3.3Å; P55-T60 WeakPolarHBondContact CD-OG1 3.46Å; P55-T60 WeakPolarHBondContact CG-OG1 3.27Å; P55-T60 PolarHBondContact O-OG1 2.84Å; G58-T60 PolarHBondContact O-N 3.29Å; T60-L64 WeakPolarHBondContact O-CB 3.38Å; T60-L64 PolarHBondContact O-N 3.49Å
61E84.2Confident83.2Confident80 Ų8072.2 Ų72.237%0.37441%0.405SS..Hα-helixtrans-68.5-41.6-179.5-62.588.6153.100111.3G58 L64 A65 R101G58-E61 VanDerWaalsContact CA-OE2 3.3Å; G58-E61 WeakPolarHBondContact CA-OE2 3.47Å; G58-E61 PolarHBondContact O-N 2.76Å; G58-E61 VanDerWaalsContact O-N 3.16Å; E61-L64 PolarHBondContact O-N 2.99Å; E61-A65 WeakPolarHBondContact O-CB 3.45Å; E61-A65 PolarHBondContact O-N 3.1Å; E61-R101 IonicContact OE1-CZ 3.28Å; E61-R101 VanDerWaalsContact OE1-CZ 3.28Å; E61-R101 IonicContact OE1-NH1 2.62Å; E61-R101 PolarHBondContact OE1-NH1 2.79Å; E61-R101 IonicContact OE1-NH2 3.29Å; E61-R101 PolarHBondContact OE1-NH2 3.41Å
62M84.5Confident81.7Confident58 Ų5869.3 Ų69.329%0.28639%0.391SS..Hα-helixtrans-62.2-45.7175.3-74.8-171.9-8900111.8G58 L64 A65 Q66 I79G58-M62 WeakPolarHBondContact O-CG 3.5Å; G58-M62 PolarHBondContact O-N 3.06Å; M62-L64 VanDerWaalsContact C-N 3.32Å; M62-L64 PolarHBondContact O-N 2.71Å; M62-A65 PolarHBondContact O-N 2.78Å; M62-Q66 WeakPolarHBondContact O-CB 3.38Å; M62-Q66 WeakPolarHBondContact O-CG 3.47Å; M62-Q66 PolarHBondContact O-N 3.24Å; M62-I79 HydrophobicContact CE-CD1 4.11Å; M62-I79 HydrophobicContact CE-CG1 4.01Å; M62-I79 HydrophobicContact SD-CD1 4.35Å
63T83.3Confident80.2Confident29 Ų2972.2 Ų72.218%0.17840%0.398CS..Hα-helixtrans-62.9-41.7177.5-53.50000110.6A59 Q66 A67 T76A59-T63 VanDerWaalsContact O-CB 3.29Å; A59-T63 WeakPolarHBondContact O-CB 3.48Å; A59-T63 PolarHBondContact O-N 2.78Å; A59-T63 PolarHBondContact O-OG1 3.42Å; T63-Q66 PolarHBondContact O-N 3.31Å; T63-A67 VanDerWaalsContact O-CB 3.23Å; T63-A67 WeakPolarHBondContact O-CB 3.37Å; T63-A67 PolarHBondContact O-N 3.32Å; T63-T76 HydrophobicContact CG2-CG2 4.1Å; T63-T76 WeakPolarHBondContact OG1-CG2 3.47Å
64L84Confident78.9Confident105 Ų10576 Ų7655%0.5542%0.416SS..Hα-helixtrans-65.7-39.9178-177.563.8000112.6T60 E61 M62 K68T60-L64 WeakPolarHBondContact O-CB 3.38Å; T60-L64 PolarHBondContact O-N 3.49Å; E61-L64 PolarHBondContact O-N 2.99Å; M62-L64 VanDerWaalsContact C-N 3.32Å; M62-L64 PolarHBondContact O-N 2.71Å; L64-K68 PolarHBondContact O-N 3.48Å
65A84.2Confident78Confident49 Ų4979.1 Ų79.141%0.40543%0.429SS..Hα-helixtrans-65.6-45.8176.500000111.3E61 M62 K68 H69E61-A65 WeakPolarHBondContact O-CB 3.45Å; E61-A65 PolarHBondContact O-N 3.1Å; M62-A65 PolarHBondContact O-N 2.78Å; A65-K68 PolarHBondContact O-N 3.47Å; A65-H69 PolarHBondContact O-CD2 3.11Å; A65-H69 VanDerWaalsContact O-CD2 3.26Å; A65-H69 PolarHBondContact O-N 2.98Å
66Q84Confident77.1Confident82 Ų8279.4 Ų79.438%0.38343%0.431SS..Hα-helixtrans-63.6-42.9177.4-72.1-178.156.200112M62 T63 K68 H69 T70M62-Q66 WeakPolarHBondContact O-CB 3.38Å; M62-Q66 WeakPolarHBondContact O-CG 3.47Å; M62-Q66 PolarHBondContact O-N 3.24Å; T63-Q66 PolarHBondContact O-N 3.31Å; Q66-K68 PolarHBondContact O-N 2.99Å; Q66-H69 PolarHBondContact O-N 3.44Å; Q66-H69 VanDerWaalsContact O-N 3.1Å; Q66-T70 PolarHBondContact O-N 2.92Å; Q66-T70 PolarHBondContact O-OG1 3.47Å
67A81Confident76.7Confident69 Ų6982.2 Ų82.257%0.5745%0.446SS*.Hα-helixtrans-61.2-24.4177.900000113.5T63T63-A67 VanDerWaalsContact O-CB 3.23Å; T63-A67 WeakPolarHBondContact O-CB 3.37Å; T63-A67 PolarHBondContact O-N 3.32Å
68K79.7Confident76.5Confident163 Ų16380 Ų8071%0.70942%0.422SS*.Hα-helixtrans-82.4-31.8174.9-74.9-176.8177.7-175.70113.5L64 A65 Q66L64-K68 PolarHBondContact O-N 3.48Å; A65-K68 PolarHBondContact O-N 3.47Å; Q66-K68 PolarHBondContact O-N 2.99Å
69H80.7Confident76.4Confident165 Ų16582.8 Ų82.876%0.76443%0.431SS*.Hα-helixtrans-98-22.8-172.7-74.5-64.4000114A65 Q66A65-H69 PolarHBondContact O-CD2 3.11Å; A65-H69 VanDerWaalsContact O-CD2 3.26Å; A65-H69 PolarHBondContact O-N 2.98Å; Q66-H69 PolarHBondContact O-N 3.44Å; Q66-H69 VanDerWaalsContact O-N 3.1Å
70T72.4Confident76.2Confident72 Ų7283.9 Ų83.944%0.44244%0.437SS..  trans-145.7143.4-173.448.40000109.1Q66 A72Q66-T70 PolarHBondContact O-N 2.92Å; Q66-T70 PolarHBondContact O-OG1 3.47Å; T70-A72 PolarHBondContact O-N 2.93Å; T70-A72 WeakPolarHBondContact OG1-CB 3.39Å
71D68.3Low76Confident184 Ų18486 Ų8698%0.98447%0.466SS*.  trans-68.931.7163.6-74.6-35.8000111.4
72A59.3Low76Confident49 Ų4990 Ų9041%0.40549%0.488SS..  trans-70.1146.3-17300000110.4T70T70-A72 PolarHBondContact O-N 2.93Å; T70-A72 WeakPolarHBondContact OG1-CB 3.39Å
73R59.6Low76.1Confident203 Ų20391 Ų9177%0.76650%0.498SS*.  trans-52.2147.5-175.8-65.6175.7174.8-178.2-1.8110.6E75R73-E75 HydrophobicContact CB-CG 4.13Å; R73-E75 PolarHBondContact O-N 3.02Å
74N61.1Low76.1Confident137 Ų13792.4 Ų92.473%0.73352%0.518SS*.  trans-70.341.3179.7-161.612.2000112.6T76N74-T76 PolarHBondContact O-N 3.43Å
75E66.3Low76.2Confident107 Ų10793.5 Ų93.550%0.552%0.52SS..  trans-82.5100.9176.5-70.4175.4-161.200107.4R73 L77R73-E75 HydrophobicContact CB-CG 4.13Å; R73-E75 PolarHBondContact O-N 3.02Å; E75-L77 VanDerWaalsContact C-N 3.28Å; E75-L77 PolarHBondContact O-N 3.5Å
76T68.9Low76.1Confident12 Ų1295.8 Ų95.87%0.07453%0.529CS..  trans-82.582.3175.855.40000109.1T63 N74 R89T63-T76 HydrophobicContact CG2-CG2 4.1Å; T63-T76 WeakPolarHBondContact OG1-CG2 3.47Å; N74-T76 PolarHBondContact O-N 3.43Å; T76-R89 VanDerWaalsContact CB-CZ 3.42Å; T76-R89 WeakPolarHBondContact O-CB 3.41Å; T76-R89 PolarHBondContact O-N 3.27Å; T76-R89 PolarHBondContact OG1-NE 3.23Å; T76-R89 PolarHBondContact OG1-NH2 2.98Å
77L75.9Confident75.9Confident59 Ų5994 Ų9431%0.30952%0.522SS..EExtended strand (participates in β ladder)trans-76.9138.8169-61.6175.9000108.8A59 E75 V86A59-L77 WeakPolarHBondContact CB-O 3.48Å; E75-L77 VanDerWaalsContact C-N 3.28Å; E75-L77 PolarHBondContact O-N 3.5Å; L77-V86 HydrophobicContact CB-CG1 3.73Å; L77-V86 HydrophobicContact CD1-CG1 4.19Å; L77-V86 HydrophobicContact CD2-CG1 4.35Å; L77-V86 HydrophobicContact CG-CG1 4.31Å
78D76.3Confident75.8Confident1 Ų194 Ų941%0.00551%0.512CS..EExtended strand (participates in β ladder)trans-126154.7177.5-153.96.1000110.3G56 G57 A59 V86 D87 L92G56-D78 VanDerWaalsContact O-OD2 3.05Å; G57-D78 WeakPolarHBondContact CA-OD1 3.3Å; G57-D78 VanDerWaalsContact CA-OD2 3.26Å; G57-D78 WeakPolarHBondContact CA-OD2 3.48Å; G57-D78 PolarHBondContact N-OD2 2.96Å; A59-D78 HydrophobicContact CB-CB 3.59Å; A59-D78 WeakPolarHBondContact CB-OD1 3.4Å; A59-D78 PolarHBondContact N-OD1 3.49Å; D78-V86 WeakPolarHBondContact O-CA 3.28Å; D78-D87 PolarHBondContact N-O 3.39Å; D78-D87 PolarHBondContact O-N 2.96Å; D78-D87 VanDerWaalsContact O-O 3.13Å; D78-L92 HydrophobicContact CB-CD1 4.43Å
79I81.3Confident75.4Confident81 Ų8189.4 Ų89.442%0.41549%0.491SS..EExtended strand (participates in β ladder)trans-90121.4172.7-63.2164.7000107.6M62 G81 V86M62-I79 HydrophobicContact CE-CD1 4.11Å; M62-I79 HydrophobicContact CE-CG1 4.01Å; M62-I79 HydrophobicContact SD-CD1 4.35Å; I79-G81 PolarHBondContact O-N 3.01Å; I79-V86 HydrophobicContact CG1-CG2 4.49Å
80N80.8Confident75Confident22 Ų2287.3 Ų87.312%0.11849%0.485CS..  trans-73.2112.4175.3-176.5-21.5000109.7I82 T83 G84 E85 D87 L92N80-I82 PolarHBondContact O-N 3.05Å; N80-I82 VanDerWaalsContact O-N 3.11Å; N80-I82 WeakPolarHBondContact OD1-CB 3.43Å; N80-I82 PolarHBondContact OD1-N 3.2Å; N80-T83 VanDerWaalsContact CB-OG1 3.3Å; N80-T83 WeakPolarHBondContact CB-OG1 3.22Å; N80-T83 VanDerWaalsContact CG-OG1 3.23Å; N80-T83 PolarHBondContact ND2-OG1 3.06Å; N80-T83 PolarHBondContact O-N 2.95Å; N80-T83 PolarHBondContact OD1-N 2.76Å; N80-G84 VanDerWaalsContact O-CA 3.27Å; N80-G84 WeakPolarHBondContact O-CA 3.41Å; N80-G84 PolarHBondContact O-N 3.48Å; N80-E85 WeakPolarHBondContact CB-O 3.4Å; N80-E85 PolarHBondContact N-O 3.04Å; N80-D87 HydrophobicContact CB-CB 4.42Å; N80-D87 WeakPolarHBondContact CB-OD2 3.38Å; N80-D87 PolarHBondContact ND2-OD2 2.9Å; N80-L92 HydrophobicContact CB-CD1 4.35Å; N80-L92 HydrophobicContact CB-CD2 4.06Å
81G80.9Confident75.1Confident80 Ų8090.8 Ų90.883%0.82549%0.494SS*.THydrogen-bonded Turntrans-66-10.5-178.700000115.5I79I79-G81 PolarHBondContact O-N 3.01Å
82I84.3Confident75.1Confident162 Ų16283.2 Ų83.283%0.83145%0.453SS*.THydrogen-bonded Turntrans-94.3-46.3178.5-57.4174.8000110.9N80N80-I82 PolarHBondContact O-N 3.05Å; N80-I82 VanDerWaalsContact O-N 3.11Å; N80-I82 WeakPolarHBondContact OD1-CB 3.43Å; N80-I82 PolarHBondContact OD1-N 3.2Å
83T86.7Confident76.2Confident80 Ų8088 Ų8849%0.49147%0.472SS..THydrogen-bonded Turntrans-91.9-24-177.6600000113N80 E85N80-T83 VanDerWaalsContact CB-OG1 3.3Å; N80-T83 WeakPolarHBondContact CB-OG1 3.22Å; N80-T83 VanDerWaalsContact CG-OG1 3.23Å; N80-T83 PolarHBondContact ND2-OG1 3.06Å; N80-T83 PolarHBondContact O-N 2.95Å; N80-T83 PolarHBondContact OD1-N 2.76Å; T83-E85 PolarHBondContact O-N 3.19Å; T83-E85 PolarHBondContact OG1-N 2.82Å
84G83.3Confident77.3Confident58 Ų5881.9 Ų81.960%0.59846%0.457SS*.  trans76.23.3-170.800000114.2N80N80-G84 VanDerWaalsContact O-CA 3.27Å; N80-G84 WeakPolarHBondContact O-CA 3.41Å; N80-G84 PolarHBondContact O-N 3.48Å
85E85Confident78.5Confident128 Ų12882.7 Ų82.760%0.59845%0.45SS*.SBendtrans-90.5159.6-179-62.5-173.316200112N80 T83N80-E85 WeakPolarHBondContact CB-O 3.4Å; N80-E85 PolarHBondContact N-O 3.04Å; T83-E85 PolarHBondContact O-N 3.19Å; T83-E85 PolarHBondContact OG1-N 2.82Å
86V83.1Confident79.4Confident97 Ų9779.8 Ų79.859%0.58844%0.438SS*.EExtended strand (participates in β ladder)trans-84.7117.8174.3-179.30000108.7L77 D78 I79L77-V86 HydrophobicContact CB-CG1 3.73Å; L77-V86 HydrophobicContact CD1-CG1 4.19Å; L77-V86 HydrophobicContact CD2-CG1 4.35Å; L77-V86 HydrophobicContact CG-CG1 4.31Å; D78-V86 WeakPolarHBondContact O-CA 3.28Å; I79-V86 HydrophobicContact CG1-CG2 4.49Å
87D78.9Confident80.4Confident44 Ų4479.7 Ų79.724%0.23544%0.438CS..EExtended strand (participates in β ladder)trans-123.3160.3-176.7-90.7-42.6000110.7D78 N80 R89 L92D78-D87 PolarHBondContact N-O 3.39Å; D78-D87 PolarHBondContact O-N 2.96Å; D78-D87 VanDerWaalsContact O-O 3.13Å; N80-D87 HydrophobicContact CB-CB 4.42Å; N80-D87 WeakPolarHBondContact CB-OD2 3.38Å; N80-D87 PolarHBondContact ND2-OD2 2.9Å; D87-R89 PolarHBondContact O-N 3.2Å; D87-L92 HydrophobicContact CB-CD1 3.5Å
88D78.6Confident81Confident69 Ų6980 Ų8037%0.36944%0.439SS..EExtended strand (participates in β ladder)trans-65.3129.7169.9-71.7-56.4000110.3N90 K91D88-N90 PolarHBondContact O-N 3.27Å; D88-K91 HydrophobicContact CB-CD 4.08Å; D88-K91 HydrophobicContact CB-CG 4.23Å; D88-K91 WeakPolarHBondContact O-CB 3.32Å; D88-K91 PolarHBondContact O-N 3.44Å; D88-K91 WeakPolarHBondContact OD2-CE 3.38Å; D88-K91 IonicContact OD2-NZ 2.76Å; D88-K91 PolarHBondContact OD2-NZ 3.45Å
89R71.9Confident81.5Confident68 Ų6881.5 Ų81.526%0.25745%0.448SS..G310 helixtrans-43.6-43.9172.2179.9-148.8-12.3-17421.7112.6P55 T76 D87 K91 L92P55-R89 VanDerWaalsContact CB-CD 3.47Å; P55-R89 HydrophobicContact CB-CG 3.67Å; P55-R89 HydrophobicContact CG-CG 4.26Å; T76-R89 VanDerWaalsContact CB-CZ 3.42Å; T76-R89 WeakPolarHBondContact O-CB 3.41Å; T76-R89 PolarHBondContact O-N 3.27Å; T76-R89 PolarHBondContact OG1-NE 3.23Å; T76-R89 PolarHBondContact OG1-NH2 2.98Å; D87-R89 PolarHBondContact O-N 3.2Å; R89-K91 PolarHBondContact O-N 2.97Å; R89-L92 CarbonylContact O-C 3.56Å; R89-L92 PolarHBondContact O-N 3.35Å
90N71.5Confident81.8Confident120 Ų12080.1 Ų80.164%0.64244%0.444SS*.G310 helixtrans-66.4-20.8-172.9-68.5-26.6000113.5D88D88-N90 PolarHBondContact O-N 3.27Å
91K74.5Confident82Confident146 Ų14683.8 Ų83.864%0.63546%0.456SS*.G310 helixtrans-82-26.8175.3-65171.4-178.6148.20111.4D88 R89D88-K91 HydrophobicContact CB-CD 4.08Å; D88-K91 HydrophobicContact CB-CG 4.23Å; D88-K91 WeakPolarHBondContact O-CB 3.32Å; D88-K91 PolarHBondContact O-N 3.44Å; D88-K91 WeakPolarHBondContact OD2-CE 3.38Å; D88-K91 IonicContact OD2-NZ 2.76Å; D88-K91 PolarHBondContact OD2-NZ 3.45Å; R89-K91 PolarHBondContact O-N 2.97Å
92L70.1Confident82.1Confident25 Ų2582 Ų8213%0.13143%0.433CS..SBendtrans-86.2115.5172.9-75.7113.5000110.7D78 N80 D87 R89 V94D78-L92 HydrophobicContact CB-CD1 4.43Å; N80-L92 HydrophobicContact CB-CD1 4.35Å; N80-L92 HydrophobicContact CB-CD2 4.06Å; D87-L92 HydrophobicContact CB-CD1 3.5Å; R89-L92 CarbonylContact O-C 3.56Å; R89-L92 PolarHBondContact O-N 3.35Å; L92-V94 HydrophobicContact CD2-CG2 4.49Å; L92-V94 PolarHBondContact O-N 3.49Å
93N80.4Confident82.2Confident148 Ų14880.3 Ų80.379%0.79142%0.422SS*.  trans-74.628.7174.6-75.9-36.4000113.5
94V83Confident81.9Confident76 Ų7680.2 Ų80.246%0.46142%0.421SS..  trans-98.8117.7179.6-171.80000108.4G56 L92G56-V94 WeakPolarHBondContact CA-O 3.38Å; G56-V94 PolarHBondContact N-O 3.37Å; L92-V94 HydrophobicContact CD2-CG2 4.49Å; L92-V94 PolarHBondContact O-N 3.49Å
95R86.5Confident81.9Confident154 Ų15479.8 Ų79.858%0.58141%0.412SS*.EExtended strand (participates in β ladder)trans-136.9145.2-175.8-63.2-171.7-179.5-178.90.8111.4V53 L54V53-R95 HydrophobicContact CB-CB 4.45Å; L54-R95 WeakPolarHBondContact O-CA 3.16Å
96N86.7Confident82Confident46 Ų4677.4 Ų77.425%0.24640%0.402CS..EExtended strand (participates in β ladder)trans-115.7136.3175.7-69.9-41.6000110.4L54 R101L54-N96 PolarHBondContact N-O 3.46Å; L54-N96 PolarHBondContact O-N 2.85Å; N96-R101 HydrophobicContact CB-CG 4.31Å; N96-R101 PolarHBondContact ND2-NH2 2.95Å
97P89.2Confident82Confident10 Ų1078.2 Ų78.27%0.06540%0.403CS..EExtended strand (participates in β ladder)trans-64.1138.8171.430-38000110.6V43 V47 T99 V100V43-P97 HydrophobicContact CG1-CG 3.89Å; V47-P97 HydrophobicContact CG2-CB 3.98Å; P97-T99 PolarHBondContact O-N 2.95Å; P97-V100 HydrophobicContact CB-CG2 4.38Å; P97-V100 HydrophobicContact CG-CB 3.88Å; P97-V100 HydrophobicContact CG-CG2 3.44Å; P97-V100 VanDerWaalsContact CG-CG2 3.44Å; P97-V100 PolarHBondContact O-N 3.07Å
98L88.2Confident82.3Confident66 Ų6681.4 Ų81.435%0.34642%0.419SS..Hα-helixtrans-58.6-38.2178.8176.662.8000112K52 L54 V100 R101 A102K52-L98 HydrophobicContact CB-CB 4.09Å; K52-L98 HydrophobicContact CB-CD2 3.87Å; K52-L98 HydrophobicContact CD-CD2 3.84Å; K52-L98 WeakPolarHBondContact O-CB 3.23Å; K52-L98 PolarHBondContact O-N 3.02Å; K52-L98 VanDerWaalsContact O-N 3.1Å; L54-L98 HydrophobicContact CD1-CB 4.41Å; L54-L98 HydrophobicContact CD1-CD1 3.62Å; L54-L98 HydrophobicContact CD2-CD1 4.23Å; L54-L98 HydrophobicContact CG-CB 4.38Å; L54-L98 HydrophobicContact CG-CD1 4.04Å; L98-V100 PolarHBondContact O-N 2.86Å; L98-R101 PolarHBondContact O-N 3.38Å; L98-A102 WeakPolarHBondContact O-CB 3.44Å; L98-A102 PolarHBondContact O-N 3.24Å
99T87.5Confident82.6Confident32 Ų3285 Ų8520%0.19644%0.436CS..Hα-helixtrans-60.9-42.9-175.253.20000112.6N46 N50 P97 A102 Q103N46-T99 WeakPolarHBondContact CB-OG1 3.39Å; N50-T99 HydrophobicContact CB-CG2 4Å; P97-T99 PolarHBondContact O-N 2.95Å; T99-A102 PolarHBondContact O-N 3.35Å; T99-Q103 VanDerWaalsContact O-CB 3.23Å; T99-Q103 WeakPolarHBondContact O-CB 3.47Å; T99-Q103 PolarHBondContact O-N 3Å
100V86.1Confident83.5Confident52 Ų5290.8 Ų90.832%0.31546%0.458SS..Hα-helixtrans-67.4-42.9-178.2176.70000111V43 P97 L98 T104V43-V100 HydrophobicContact CG2-CG2 4.44Å; P97-V100 HydrophobicContact CB-CG2 4.38Å; P97-V100 HydrophobicContact CG-CB 3.88Å; P97-V100 HydrophobicContact CG-CG2 3.44Å; P97-V100 VanDerWaalsContact CG-CG2 3.44Å; P97-V100 PolarHBondContact O-N 3.07Å; L98-V100 PolarHBondContact O-N 2.86Å; V100-T104 PolarHBondContact O-N 3.49Å; V100-T104 PolarHBondContact O-OG1 3.16Å
101R85.9Confident84.4Confident98 Ų9889.4 Ų89.437%0.3745%0.449SS..Hα-helixtrans-66-43.4177.7-70.6-62.2-164137.110111.9L54 E61 N96 L98 A105L54-R101 HydrophobicContact CD1-CB 4.15Å; L54-R101 HydrophobicContact CD1-CG 4.2Å; E61-R101 IonicContact OE1-CZ 3.28Å; E61-R101 VanDerWaalsContact OE1-CZ 3.28Å; E61-R101 IonicContact OE1-NH1 2.62Å; E61-R101 PolarHBondContact OE1-NH1 2.79Å; E61-R101 IonicContact OE1-NH2 3.29Å; E61-R101 PolarHBondContact OE1-NH2 3.41Å; N96-R101 HydrophobicContact CB-CG 4.31Å; N96-R101 PolarHBondContact ND2-NH2 2.95Å; L98-R101 PolarHBondContact O-N 3.38Å; R101-A105 PolarHBondContact O-N 3.12Å
102A83.8Confident85.2Confident42 Ų4290.1 Ų90.135%0.34746%0.46SS..Hα-helixtrans-66.2-42.1177.500000112.3L98 T99 T104 A105 I106L98-A102 WeakPolarHBondContact O-CB 3.44Å; L98-A102 PolarHBondContact O-N 3.24Å; T99-A102 PolarHBondContact O-N 3.35Å; A102-T104 PolarHBondContact O-N 2.87Å; A102-A105 PolarHBondContact O-N 3.32Å; A102-I106 WeakPolarHBondContact O-CD1 3.35Å; A102-I106 VanDerWaalsContact O-CG1 3.25Å; A102-I106 WeakPolarHBondContact O-CG1 3.3Å; A102-I106 PolarHBondContact O-N 3.49Å
103Q84.5Confident86.2Confident128 Ų12895.9 Ų95.960%0.59849%0.486SS*.Hα-helixtrans-62.2-43.8-179-176.6176.510.800112.1T99 A105 I106 L107T99-Q103 VanDerWaalsContact O-CB 3.23Å; T99-Q103 WeakPolarHBondContact O-CB 3.47Å; T99-Q103 PolarHBondContact O-N 3Å; Q103-A105 PolarHBondContact O-N 3.33Å; Q103-I106 PolarHBondContact O-N 3.11Å; Q103-L107 PolarHBondContact O-N 3.4Å
104T82.4Confident86.7Confident77 Ų7795.8 Ų95.847%0.47248%0.484SS..Hα-helixtrans-63.2-43.4179-510000111V100 A102 L107 L108V100-T104 PolarHBondContact O-N 3.49Å; V100-T104 PolarHBondContact O-OG1 3.16Å; A102-T104 PolarHBondContact O-N 2.87Å; T104-L107 PolarHBondContact O-N 3.39Å; T104-L108 HydrophobicContact CG2-CD1 4.36Å; T104-L108 WeakPolarHBondContact O-CG 3.01Å; T104-L108 PolarHBondContact O-N 2.95Å; T104-L108 VanDerWaalsContact O-N 3.09Å
105A82.4Confident86.8Confident49 Ų4999.1 Ų99.141%0.40550%0.499SS..Hα-helixtrans-62.5-43.9176.300000112.1R101 A102 Q103 L107 L108 M109R101-A105 PolarHBondContact O-N 3.12Å; A102-A105 PolarHBondContact O-N 3.32Å; Q103-A105 PolarHBondContact O-N 3.33Å; A105-L107 PolarHBondContact O-N 2.94Å; A105-L108 PolarHBondContact O-N 2.95Å; A105-M109 VanDerWaalsContact O-CG 3.31Å; A105-M109 WeakPolarHBondContact O-CG 3.47Å; A105-M109 PolarHBondContact O-N 2.88Å
106I86.1Confident86.7Confident78 Ų7896.9 Ų96.940%0.451%0.507SS..Hα-helixtrans-64-40.4178.2-67.2163.3000111.5A102 Q103 M109 R110A102-I106 WeakPolarHBondContact O-CD1 3.35Å; A102-I106 VanDerWaalsContact O-CG1 3.25Å; A102-I106 WeakPolarHBondContact O-CG1 3.3Å; A102-I106 PolarHBondContact O-N 3.49Å; Q103-I106 PolarHBondContact O-N 3.11Å; I106-M109 HydrophobicContact CB-CE 4.41Å; I106-M109 HydrophobicContact CG1-CE 3.99Å; I106-M109 PolarHBondContact O-N 3.43Å; I106-R110 WeakPolarHBondContact O-CG 3.13Å; I106-R110 PolarHBondContact O-N 2.84Å
107L83.8Confident86.6Confident115 Ų11598.3 Ų98.360%0.60253%0.532SS*.Hα-helixtrans-64.4-44.3178.6-176.364.5000111.5Q103 T104 A105 M109 R110Q103-L107 PolarHBondContact O-N 3.4Å; T104-L107 PolarHBondContact O-N 3.39Å; A105-L107 PolarHBondContact O-N 2.94Å; L107-M109 VanDerWaalsContact C-N 3.31Å; L107-M109 PolarHBondContact O-N 2.94Å; L107-R110 PolarHBondContact O-N 3.27Å; L107-R110 VanDerWaalsContact O-N 3.14Å
108L86.2Confident86.2Confident110 Ų110103.7 Ų103.758%0.57657%0.565SS**Hα-helixtrans-63.1-37.3176.4-70.3171.9000112.1T104 A105 R110 I111T104-L108 HydrophobicContact CG2-CD1 4.36Å; T104-L108 WeakPolarHBondContact O-CG 3.01Å; T104-L108 PolarHBondContact O-N 2.95Å; T104-L108 VanDerWaalsContact O-N 3.09Å; A105-L108 PolarHBondContact O-N 2.95Å; L108-R110 PolarHBondContact O-N 3.08Å; L108-I111 HydrophobicContact CD2-CD1 4Å; L108-I111 PolarHBondContact O-N 3.21Å
109M84.1Confident85.4Confident146 Ų146109.5 Ų109.572%0.71959%0.59SS**THydrogen-bonded Turntrans-67-14.1176-73.5-172.3-62.300114.1A105 I106 L107A105-M109 VanDerWaalsContact O-CG 3.31Å; A105-M109 WeakPolarHBondContact O-CG 3.47Å; A105-M109 PolarHBondContact O-N 2.88Å; I106-M109 HydrophobicContact CB-CE 4.41Å; I106-M109 HydrophobicContact CG1-CE 3.99Å; I106-M109 PolarHBondContact O-N 3.43Å; L107-M109 VanDerWaalsContact C-N 3.31Å; L107-M109 PolarHBondContact O-N 2.94Å
110R89.8Confident84.4Confident188 Ų188116.2 Ų116.271%0.70962%0.619SS**THydrogen-bonded Turntrans-93.2-0.6178.3-70.4175179.1-171.1-0.6113.6I106 L107 L108 D112I106-R110 WeakPolarHBondContact O-CG 3.13Å; I106-R110 PolarHBondContact O-N 2.84Å; L107-R110 PolarHBondContact O-N 3.27Å; L107-R110 VanDerWaalsContact O-N 3.14Å; L108-R110 PolarHBondContact O-N 3.08Å; R110-D112 PolarHBondContact O-N 3.49Å
111I90.3Very high83.2Confident91 Ų91123.5 Ų123.547%0.46765%0.647SS.*  trans-83.3103.1177.6-57.5174.3000107.6L108 I114L108-I111 HydrophobicContact CD2-CD1 4Å; L108-I111 PolarHBondContact O-N 3.21Å; I111-I114 HydrophobicContact CG2-CD1 4.38Å; I111-I114 HydrophobicContact CG2-CG1 3.74Å
112D92.2Very high81.5Confident162 Ų162124.7 Ų124.787%0.86667%0.665SS**  trans-83.1-37.1177.6-67.5-37.9000112.3R110R110-D112 PolarHBondContact O-N 3.49Å
113E91.9Very high80.1Confident145 Ų145130.4 Ų130.468%0.67869%0.69SS**  trans-143137.9-177.3-170.5177.117900111L115E113-L115 HydrophobicContact CG-CG 4.31Å
114I89.2Confident78.8Confident146 Ų146127.9 Ų127.975%0.74969%0.691SS**  trans-109.9107.4170.8-57.8176000107.6I111I111-I114 HydrophobicContact CG2-CD1 4.38Å; I111-I114 HydrophobicContact CG2-CG1 3.74Å
115L86.5Confident77.2Confident147 Ų147132.4 Ų132.477%0.7771%0.712SS**  trans-90115.3171.2-74.9157.2000109.1E113E113-L115 HydrophobicContact CG-CG 4.31Å
116S85Confident75.7Confident107 Ų107139.9 Ų139.975%0.74874%0.736SS**  trans-96.7113172.2-174.30000109.7
117G83.5Confident73.8Confident76 Ų76140.9 Ų140.978%0.78475%0.75SS**  trans-96.1109.1169.800000110
118V80.3Confident72Confident123 Ų123143.9 Ų143.975%0.74576%0.76SS**  trans-85.9109.7166.2-179.30000107.1E120V118-E120 PolarHBondContact O-N 3.28Å
119Q72.2Confident69.8Low187 Ų187146.8 Ų146.887%0.87477%0.771SS**  trans-78112.7161.3-76.1-173.6-5.400107.7K121Q119-K121 PolarHBondContact O-N 3.25Å
120E66Low67.5Low174 Ų174150.1 Ų150.181%0.81380%0.8SS**  trans-62.9122.8161.2-77.4-172151.700108.2V118 T122V118-E120 PolarHBondContact O-N 3.28Å; E120-T122 PolarHBondContact O-N 3.26Å
121K60.4Low66.3Low204 Ų204148.2 Ų148.289%0.88780%0.804SS**  trans-66.3103.5166.4-79.9-176175.3-179.80107.6Q119 D123Q119-K121 PolarHBondContact O-N 3.25Å; K121-D123 PolarHBondContact O-N 3.21Å
122T50.8Low65.1Low124 Ų124151.2 Ų151.276%0.76182%0.822SS**  trans-75118.1161.9-30.60000107.4E120 A124E120-T122 PolarHBondContact O-N 3.26Å; T122-A124 PolarHBondContact O-N 3Å
123D53.8Low63.6Low161 Ų161150.6 Ų150.686%0.86182%0.82SS**  trans-57.494.9169.6-72.1-50.1000109.8K121K121-D123 PolarHBondContact O-N 3.21Å
124A58.1Low61.9Low75 Ų75150.9 Ų150.962%0.6283%0.828SS**  trans-130.6-5.6-178.700000116.3T122T122-A124 PolarHBondContact O-N 3Å
125D49.7Very low60.2Low172 Ų172151.3 Ų151.392%0.9283%0.833SS**  trans-107.738.2-177.6-102.3-5.2000114.5
126K50.8Low58.5Low207 Ų207151.5 Ų151.590%0.984%0.837SS**  trans-95.217.8174.3-93.3-172.1-179.61760115.2
127S45.8Very low56.6Low99 Ų99154.7 Ų154.769%0.69284%0.843SS**  trans-150.173.5-179.160.90000114
128E45.8Very low54.5Low177 Ų177160.8 Ų160.883%0.82785%0.848SS**  trans-152.685.2143.6-113.5169.4-172.300106.1
129Q39Very low52.4Low171 Ų171163.9 Ų163.980%0.79986%0.857SS**  83.9102.695.9-80.7-179.224.800110.8
130T35.9Very low50.5Low216 Ų216161.8 Ų161.8100%1.32586%0.855SS**  trans16.60130.2-47.40000117.8

Retrieved 130 of 130 residues in 29.3 ms (Link to these results)