A0A5K4FFZ8_SCHMA Loading...

Prp31_C domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4FFZ8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 148 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
1M71.3Confident81.5Confident195 Ų195118.1 Ų118.196%0.96156%0.558SS**  0-47.60-158.4167.3-142.800112.6E3 R4 L5M1-E3 VanDerWaalsContact C-N 3.35Å; M1-E3 PolarHBondContact O-N 3.29Å; M1-R4 WeakPolarHBondContact O-CB 3.15Å; M1-R4 PolarHBondContact O-N 3.19Å; M1-R4 VanDerWaalsContact O-N 3.08Å; M1-L5 HydrophobicContact CG-CD1 4.49Å; M1-L5 PolarHBondContact O-N 3.06Å
2K79.5Confident82Confident191 Ų191117.2 Ų117.283%0.8355%0.545SS*.Hα-helixtrans-49.1-47.4178.6-173.9176.6178-179.30114.1R4 L5 G6K2-R4 VanDerWaalsContact C-N 3.3Å; K2-R4 PolarHBondContact O-N 3.33Å; K2-L5 PolarHBondContact O-N 3.29Å; K2-G6 PolarHBondContact O-N 3.34Å
3E74.7Confident82.1Confident160 Ų160109 Ų10975%0.74851%0.509SS*.Hα-helixtrans-65.6-30.4-179.3-64.4-176.2167.200114M1 L5 G6 K55M1-E3 VanDerWaalsContact C-N 3.35Å; M1-E3 PolarHBondContact O-N 3.29Å; E3-L5 VanDerWaalsContact C-N 3.32Å; E3-G6 PolarHBondContact O-N 3.06Å; E3-K55 VanDerWaalsContact O-CD 3.26Å; E3-K55 WeakPolarHBondContact O-CD 3.4Å; E3-K55 WeakPolarHBondContact O-CE 3.32Å; E3-K55 PolarHBondContact O-NZ 3.15Å
4R74.5Confident82.3Confident144 Ų144102.3 Ų102.354%0.54348%0.482SS..Hα-helixtrans-69.5-32.6178.1-172-179.9117.81321.3112M1 K2M1-R4 WeakPolarHBondContact O-CB 3.15Å; M1-R4 PolarHBondContact O-N 3.19Å; M1-R4 VanDerWaalsContact O-N 3.08Å; K2-R4 VanDerWaalsContact C-N 3.3Å; K2-R4 PolarHBondContact O-N 3.33Å
5L81.7Confident82.7Confident131 Ų131102.3 Ų102.369%0.68649%0.486SS*.Hα-helixtrans-94.8-7.4179.8-59.6177.8000112.6M1 K2 E3M1-L5 HydrophobicContact CG-CD1 4.49Å; M1-L5 PolarHBondContact O-N 3.06Å; K2-L5 PolarHBondContact O-N 3.29Å; E3-L5 VanDerWaalsContact C-N 3.32Å
6G85.4Confident83Confident33 Ų33105.1 Ų105.134%0.3449%0.49SS..SBendtrans-64147.9175.700000111.8K2 E3 S8K2-G6 PolarHBondContact O-N 3.34Å; E3-G6 PolarHBondContact O-N 3.06Å; G6-S8 PolarHBondContact O-N 2.85Å
7M86Confident83Confident108 Ų108107.4 Ų107.453%0.53251%0.505SS..PPolyproline II helixtrans-59.2130.6175.2-62.5-168.1-60.100110.7
8S87Confident83Confident14 Ų14106.2 Ų106.210%0.09850%0.499CS..PPolyproline II helixtrans-71.3157.3173.762.30000111.4G6 L10 R11 R12G6-S8 PolarHBondContact O-N 2.85Å; S8-L10 PolarHBondContact O-N 3.23Å; S8-R11 PolarHBondContact O-N 3.28Å; S8-R11 VanDerWaalsContact O-N 3.16Å; S8-R11 WeakPolarHBondContact OG-CB 3.41Å; S8-R11 PolarHBondContact OG-N 3.42Å; S8-R12 PolarHBondContact O-N 3.16Å
9E85Confident83Confident107 Ų107111.7 Ų111.750%0.552%0.522SS..Hα-helixtrans-57-40173.1-67.3-59.1137.400111.7R11 R12 S13 P50E9-R11 PolarHBondContact O-N 3.01Å; E9-R12 PolarHBondContact O-N 3.13Å; E9-R12 IonicContact OE1-CZ 3.14Å; E9-R12 IonicContact OE1-NH1 2.69Å; E9-R12 PolarHBondContact OE1-NH1 3.46Å; E9-R12 IonicContact OE1-NH2 2.83Å; E9-R12 PolarHBondContact OE1-NH2 3.45Å; E9-R12 IonicContact OE2-CZ 3.63Å; E9-R12 IonicContact OE2-NH1 2.86Å; E9-R12 PolarHBondContact OE2-NH1 3.06Å; E9-S13 PolarHBondContact O-N 3.44Å; E9-P50 HydrophobicContact CB-CB 4.03Å
10L84.2Confident82.9Confident59 Ų59109.8 Ų109.831%0.30953%0.534SS..Hα-helixtrans-58.4-49.6174.8-169.7162.6000110.9S8 R12 S13 A14 L38 P50 A52S8-L10 PolarHBondContact O-N 3.23Å; L10-R12 VanDerWaalsContact C-N 3.3Å; L10-R12 PolarHBondContact O-N 3.22Å; L10-S13 PolarHBondContact O-N 3.05Å; L10-S13 VanDerWaalsContact O-N 3.11Å; L10-S13 PolarHBondContact O-OG 2.68Å; L10-A14 PolarHBondContact O-N 3.43Å; L10-L38 HydrophobicContact CD2-CD2 3.87Å; L10-L38 HydrophobicContact CG-CD2 4.06Å; L10-P50 HydrophobicContact CB-CG 4.44Å; L10-A52 HydrophobicContact CD1-CB 4.23Å
11R87.5Confident82.8Confident157 Ų157108.5 Ų108.559%0.59253%0.526SS*.Hα-helixtrans-62.9-38.2177.7-168.4171.7-171.1172.62.2112S8 E9 S13 A14 N15S8-R11 PolarHBondContact O-N 3.28Å; S8-R11 VanDerWaalsContact O-N 3.16Å; S8-R11 WeakPolarHBondContact OG-CB 3.41Å; S8-R11 PolarHBondContact OG-N 3.42Å; E9-R11 PolarHBondContact O-N 3.01Å; R11-S13 VanDerWaalsContact C-N 3.3Å; R11-S13 PolarHBondContact O-N 3.36Å; R11-A14 PolarHBondContact O-N 2.87Å; R11-N15 VanDerWaalsContact O-CG 3.25Å; R11-N15 PolarHBondContact O-N 3.08Å; R11-N15 PolarHBondContact O-OD1 3.13Å
12R87.2Confident83.3Confident107 Ų107106.4 Ų106.440%0.40452%0.518SS..Hα-helixtrans-64.3-35.5175.3-158.2-175.5-55.7132.912.7112S8 E9 L10S8-R12 PolarHBondContact O-N 3.16Å; E9-R12 PolarHBondContact O-N 3.13Å; E9-R12 IonicContact OE1-CZ 3.14Å; E9-R12 IonicContact OE1-NH1 2.69Å; E9-R12 PolarHBondContact OE1-NH1 3.46Å; E9-R12 IonicContact OE1-NH2 2.83Å; E9-R12 PolarHBondContact OE1-NH2 3.45Å; E9-R12 IonicContact OE2-CZ 3.63Å; E9-R12 IonicContact OE2-NH1 2.86Å; E9-R12 PolarHBondContact OE2-NH1 3.06Å; L10-R12 VanDerWaalsContact C-N 3.3Å; L10-R12 PolarHBondContact O-N 3.22Å
13S83.2Confident83.2Confident11 Ų1199.9 Ų99.98%0.07749%0.494CS..Hα-helixtrans-72.8-35.8175.973.10000113.4E9 L10 R11 N15 R16 S37 P50E9-S13 PolarHBondContact O-N 3.44Å; L10-S13 PolarHBondContact O-N 3.05Å; L10-S13 VanDerWaalsContact O-N 3.11Å; L10-S13 PolarHBondContact O-OG 2.68Å; R11-S13 VanDerWaalsContact C-N 3.3Å; R11-S13 PolarHBondContact O-N 3.36Å; S13-N15 VanDerWaalsContact C-N 3.35Å; S13-R16 WeakPolarHBondContact O-CB 3.42Å; S13-R16 PolarHBondContact O-N 3.01Å; S13-S37 PolarHBondContact O-OG 3.23Å; S13-P50 VanDerWaalsContact OG-CG 3.27Å; S13-P50 WeakPolarHBondContact OG-CG 3.41Å
14A85.6Confident83.3Confident15 Ų1597.6 Ų97.612%0.12449%0.487CS..Hα-helixtrans-65.1-38.8173.800000111.5L10 R11 R16 L35 G36L10-A14 PolarHBondContact O-N 3.43Å; R11-A14 PolarHBondContact O-N 2.87Å; A14-R16 PolarHBondContact O-N 3.41Å; A14-R16 VanDerWaalsContact O-N 3.1Å; A14-L35 WeakPolarHBondContact CA-O 3.13Å; A14-L35 HydrophobicContact CB-CD1 4.08Å; A14-G36 WeakPolarHBondContact O-CA 3.26Å
15N88.2Confident83.7Confident102 Ų10294.5 Ų94.555%0.54548%0.481SS..THydrogen-bonded Turntrans-72.74.1177.6-67.51.5000114.5R11 S13 I17R11-N15 VanDerWaalsContact O-CG 3.25Å; R11-N15 PolarHBondContact O-N 3.08Å; R11-N15 PolarHBondContact O-OD1 3.13Å; S13-N15 VanDerWaalsContact C-N 3.35Å; N15-I17 PolarHBondContact O-N 3.3Å
16R86.5Confident83.6Confident147 Ų14790.9 Ų90.956%0.55547%0.47SS*.PPolyproline II helixtrans-83.3116.3174.6-67.5176.9-176.2-124.33108.9S13 A14 S37S13-R16 WeakPolarHBondContact O-CB 3.42Å; S13-R16 PolarHBondContact O-N 3.01Å; A14-R16 PolarHBondContact O-N 3.41Å; A14-R16 VanDerWaalsContact O-N 3.1Å; R16-S37 WeakPolarHBondContact CB-OG 3.29Å; R16-S37 PolarHBondContact O-N 3.17Å
17I84.2Confident83.4Confident144 Ų14495.7 Ų95.774%0.73848%0.479SS*.PPolyproline II helixtrans-89.5129174.3-57.7171.3000107.9N15N15-I17 PolarHBondContact O-N 3.3Å
18Q82.9Confident83.1Confident86 Ų8699.9 Ų99.940%0.40250%0.497SS..PPolyproline II helixtrans-88.2118.3171.6-176.4159.3-22.800108.1G20 E21Q18-G20 PolarHBondContact O-N 2.82Å; Q18-E21 HydrophobicContact CB-CB 4.41Å; Q18-E21 HydrophobicContact CG-CB 4.32Å; Q18-E21 HydrophobicContact CG-CG 4.16Å; Q18-E21 PolarHBondContact NE2-OE1 2.97Å; Q18-E21 PolarHBondContact NE2-OE2 3.39Å; Q18-E21 VanDerWaalsContact NE2-OE2 3.17Å; Q18-E21 PolarHBondContact O-N 2.85Å; Q18-E21 PolarHBondContact OE1-OE2 3.2Å
19F82.1Confident83Confident211 Ų211104.7 Ų104.793%0.92553%0.531SS*.THydrogen-bonded Turntrans-66.9133.6179.8-177-99.5000110E21F19-E21 VanDerWaalsContact C-N 3.35Å
20G82.1Confident82.7Confident74 Ų74103.7 Ų103.776%0.76353%0.529SS*.THydrogen-bonded Turntrans87.3-5.4178.900000115.3Q18Q18-G20 PolarHBondContact O-N 2.82Å
21E81.1Confident82.5Confident82 Ų82108.1 Ų108.138%0.38355%0.552SS.*SBendtrans-107.7129.1173.3-70.9-176.3179.800110.4Q18 F19 T23Q18-E21 HydrophobicContact CB-CB 4.41Å; Q18-E21 HydrophobicContact CG-CB 4.32Å; Q18-E21 HydrophobicContact CG-CG 4.16Å; Q18-E21 PolarHBondContact NE2-OE1 2.97Å; Q18-E21 PolarHBondContact NE2-OE2 3.39Å; Q18-E21 VanDerWaalsContact NE2-OE2 3.17Å; Q18-E21 PolarHBondContact O-N 2.85Å; Q18-E21 PolarHBondContact OE1-OE2 3.2Å; F19-E21 VanDerWaalsContact C-N 3.35Å; E21-T23 PolarHBondContact O-N 3.49Å
22I80.1Confident82Confident152 Ų152103.5 Ų103.578%0.77955%0.553SS**PPolyproline II helixtrans-68.7131.3172.1-62.5170.4000106.9
23T77.5Confident81.9Confident53 Ų53102.1 Ų102.133%0.32555%0.55SS.*PPolyproline II helixtrans-89128.7179.4-44.40000109.5E21 S34E21-T23 PolarHBondContact O-N 3.49Å; T23-S34 WeakPolarHBondContact CG2-OG 3.38Å
24D78Confident81.8Confident112 Ų112103.7 Ų103.760%0.59956%0.561SS**PPolyproline II helixtrans-77.2141.5177.3-59.1-49.6000111.5A26 S34D24-A26 PolarHBondContact O-N 3.5Å; D24-S34 VanDerWaalsContact O-CB 3.31Å; D24-S34 WeakPolarHBondContact O-CB 3.35Å
25D81.5Confident81.5Confident80 Ų80106.1 Ų106.143%0.42857%0.572SS.*PPolyproline II helixtrans-69.6121169-74.2-29000109.2Y27 G32 F33D25-Y27 VanDerWaalsContact C-N 3.29Å; D25-Y27 PolarHBondContact O-N 3.21Å; D25-G32 VanDerWaalsContact OD1-CA 3.31Å; D25-G32 WeakPolarHBondContact OD1-CA 3.32Å; D25-G32 PolarHBondContact OD1-N 3.1Å; D25-F33 CarbonylContact C-O 3.59Å; D25-F33 WeakPolarHBondContact CA-O 3.44Å
26A81.1Confident81.2Confident54 Ų54101.6 Ų101.645%0.44655%0.549SS..SBendtrans-76.9-16.3-178.600000112.9D24 F33D24-A26 PolarHBondContact O-N 3.5Å; A26-F33 HydrophobicContact CB-CD1 3.6Å; A26-F33 HydrophobicContact CB-CE1 3.73Å; A26-F33 PolarHBondContact N-O 3.48Å
27Y80.8Confident80.8Confident135 Ų13595 Ų9553%0.52953%0.526SS..BIsolated β-bridgetrans-130.6137.4178.5-64.2-60.4000111.8D25 S29 F33D25-Y27 VanDerWaalsContact C-N 3.29Å; D25-Y27 PolarHBondContact O-N 3.21Å; Y27-S29 PolarHBondContact O-N 3.5Å; Y27-F33 HydrophobicContact CD2-CB 4.29Å; Y27-F33 AromaticContact CD2-CD1 3.21Å; Y27-F33 HydrophobicContact CD2-CD1 3.21Å; Y27-F33 AromaticContact CD2-CE1 3.7Å; Y27-F33 HydrophobicContact CD2-CE1 3.7Å; Y27-F33 AromaticContact CD2-CG 3.86Å; Y27-F33 HydrophobicContact CD2-CG 3.86Å; Y27-F33 AromaticContact CE2-CD1 3.31Å; Y27-F33 HydrophobicContact CE2-CD1 3.31Å; Y27-F33 AromaticContact CE2-CE1 3.23Å; Y27-F33 HydrophobicContact CE2-CE1 3.23Å; Y27-F33 HydrophobicContact CE2-CG 4.1Å; Y27-F33 AromaticContact CE2-CZ 3.96Å; Y27-F33 HydrophobicContact CE2-CZ 3.96Å; Y27-F33 HydrophobicContact CG-CD1 4.32Å
28Q80.3Confident80.5Confident195 Ų19589.4 Ų89.491%0.91150%0.497SS*.THydrogen-bonded Turntrans-66.1-26.4174.7-17261.158.400112.9
29S84.7Confident80.1Confident116 Ų11687 Ų8781%0.81150%0.495SS*.THydrogen-bonded Turntrans-91.5-8.7-175.158.50000114.4Y27Y27-S29 PolarHBondContact O-N 3.5Å
30D78Confident79.5Confident86 Ų8679.5 Ų79.546%0.4646%0.463SS..BIsolated β-bridgetrans-138.2108.6-174.4-169.621000109.9F33D30-F33 HydrophobicContact CB-CB 4.43Å
31L79.2Confident78.6Confident151 Ų15182.1 Ų82.179%0.79145%0.45SS*.THydrogen-bonded Turntrans-76.8127.9177.9-66.5170.8000109.1
32G78.9Confident77.5Confident60 Ų6080.6 Ų80.662%0.61946%0.456SS*.THydrogen-bonded Turntrans93.6-2.2177.500000115.1D25 S34D25-G32 VanDerWaalsContact OD1-CA 3.31Å; D25-G32 WeakPolarHBondContact OD1-CA 3.32Å; D25-G32 PolarHBondContact OD1-N 3.1Å; G32-S34 PolarHBondContact O-N 3.28Å
33F83.8Confident76.5Confident79 Ų7980.3 Ų80.335%0.34645%0.454SS..  trans-79.7115.2168.2-180-95000109.9D25 A26 Y27 D30D25-F33 CarbonylContact C-O 3.59Å; D25-F33 WeakPolarHBondContact CA-O 3.44Å; A26-F33 HydrophobicContact CB-CD1 3.6Å; A26-F33 HydrophobicContact CB-CE1 3.73Å; A26-F33 PolarHBondContact N-O 3.48Å; Y27-F33 HydrophobicContact CD2-CB 4.29Å; Y27-F33 AromaticContact CD2-CD1 3.21Å; Y27-F33 HydrophobicContact CD2-CD1 3.21Å; Y27-F33 AromaticContact CD2-CE1 3.7Å; Y27-F33 HydrophobicContact CD2-CE1 3.7Å; Y27-F33 AromaticContact CD2-CG 3.86Å; Y27-F33 HydrophobicContact CD2-CG 3.86Å; Y27-F33 AromaticContact CE2-CD1 3.31Å; Y27-F33 HydrophobicContact CE2-CD1 3.31Å; Y27-F33 AromaticContact CE2-CE1 3.23Å; Y27-F33 HydrophobicContact CE2-CE1 3.23Å; Y27-F33 HydrophobicContact CE2-CG 4.1Å; Y27-F33 AromaticContact CE2-CZ 3.96Å; Y27-F33 HydrophobicContact CE2-CZ 3.96Å; Y27-F33 HydrophobicContact CG-CD1 4.32Å; D30-F33 HydrophobicContact CB-CB 4.43Å
34S81.5Confident75.5Confident44 Ų4481.7 Ų81.731%0.30847%0.471SS..  trans-134.2155176.8630000112.7T23 D24 G32 G36T23-S34 WeakPolarHBondContact CG2-OG 3.38Å; D24-S34 VanDerWaalsContact O-CB 3.31Å; D24-S34 WeakPolarHBondContact O-CB 3.35Å; G32-S34 PolarHBondContact O-N 3.28Å; S34-G36 VanDerWaalsContact C-N 3.28Å
35L79.3Confident74.5Confident65 Ų6580.2 Ų80.234%0.3448%0.482SS..  trans-90.36.9177.3-156.560000112.5A14 S37 L38 G39A14-L35 WeakPolarHBondContact CA-O 3.13Å; A14-L35 HydrophobicContact CB-CD1 4.08Å; L35-S37 PolarHBondContact O-N 3.44Å; L35-L38 HydrophobicContact CD1-CD2 3.82Å; L35-L38 HydrophobicContact CD1-CG 4.33Å; L35-L38 HydrophobicContact CD2-CB 4.41Å; L35-L38 HydrophobicContact CD2-CD2 4.14Å; L35-L38 HydrophobicContact CD2-CG 3.91Å; L35-L38 HydrophobicContact CG-CB 3.89Å; L35-L38 HydrophobicContact CG-CD2 3.91Å; L35-L38 HydrophobicContact CG-CG 3.84Å; L35-L38 WeakPolarHBondContact O-CA 3.35Å; L35-L38 WeakPolarHBondContact O-CB 3.48Å; L35-L38 PolarHBondContact O-N 3.33Å; L35-G39 PolarHBondContact O-N 3Å
36G81.8Confident73.2Confident7 Ų787.8 Ų87.87%0.07251%0.505CS..Hα-helixtrans44.3-134.5-177.600000112.9A14 S34 L38 G39 Q40A14-G36 WeakPolarHBondContact O-CA 3.26Å; S34-G36 VanDerWaalsContact C-N 3.28Å; G36-L38 PolarHBondContact O-N 3.42Å; G36-L38 VanDerWaalsContact O-N 3.13Å; G36-G39 PolarHBondContact O-N 3.02Å; G36-G39 VanDerWaalsContact O-N 3.07Å; G36-Q40 PolarHBondContact O-N 3Å
37S78.5Confident72.4Confident9 Ų989.5 Ų89.56%0.06351%0.506CS..Hα-helixtrans-61.4-21.6178.879.90000114.5S13 R16 L35 R41S13-S37 PolarHBondContact O-OG 3.23Å; R16-S37 WeakPolarHBondContact CB-OG 3.29Å; R16-S37 PolarHBondContact O-N 3.17Å; L35-S37 PolarHBondContact O-N 3.44Å; S37-R41 WeakPolarHBondContact O-CB 3.5Å; S37-R41 VanDerWaalsContact O-CD 3.31Å; S37-R41 WeakPolarHBondContact O-CD 3.46Å; S37-R41 WeakPolarHBondContact O-CG 3.04Å; S37-R41 PolarHBondContact O-N 3Å
38L78.4Confident71.9Confident27 Ų2795.1 Ų95.114%0.14153%0.527CS..Hα-helixtrans-74.2-29.4178174.767.5000111.1L10 L35 G36 A49L10-L38 HydrophobicContact CD2-CD2 3.87Å; L10-L38 HydrophobicContact CG-CD2 4.06Å; L35-L38 HydrophobicContact CD1-CD2 3.82Å; L35-L38 HydrophobicContact CD1-CG 4.33Å; L35-L38 HydrophobicContact CD2-CB 4.41Å; L35-L38 HydrophobicContact CD2-CD2 4.14Å; L35-L38 HydrophobicContact CD2-CG 3.91Å; L35-L38 HydrophobicContact CG-CB 3.89Å; L35-L38 HydrophobicContact CG-CD2 3.91Å; L35-L38 HydrophobicContact CG-CG 3.84Å; L35-L38 WeakPolarHBondContact O-CA 3.35Å; L35-L38 WeakPolarHBondContact O-CB 3.48Å; L35-L38 PolarHBondContact O-N 3.33Å; G36-L38 PolarHBondContact O-N 3.42Å; G36-L38 VanDerWaalsContact O-N 3.13Å; L38-A49 HydrophobicContact CD1-CB 4.18Å
39G73.1Confident71.5Confident35 Ų3588 Ų8836%0.36150%0.501SS..Hα-helixtrans-71.6-44.9172.100000112.8L35 G36 R41 G42L35-G39 PolarHBondContact O-N 3Å; G36-G39 PolarHBondContact O-N 3.02Å; G36-G39 VanDerWaalsContact O-N 3.07Å; G39-R41 VanDerWaalsContact C-N 3.27Å; G39-R41 PolarHBondContact O-N 2.95Å; G39-G42 PolarHBondContact O-N 2.94Å
40Q69.7Low71.1Confident54 Ų5484.3 Ų84.325%0.25247%0.474SS..Hα-helixtrans-66.4-28.5-178-65.5-57.8-39.100113.3G36 G42G36-Q40 PolarHBondContact O-N 3Å; Q40-G42 PolarHBondContact O-N 2.95Å; Q40-G42 VanDerWaalsContact O-N 3.15Å
41R64.4Low71.2Confident129 Ų12988.7 Ų88.749%0.48749%0.492SS..G310 helixtrans-66.4-14178.2-79173.1-172.2-151.9-1113.7S37 G39 I43 L47S37-R41 WeakPolarHBondContact O-CB 3.5Å; S37-R41 VanDerWaalsContact O-CD 3.31Å; S37-R41 WeakPolarHBondContact O-CD 3.46Å; S37-R41 WeakPolarHBondContact O-CG 3.04Å; S37-R41 PolarHBondContact O-N 3Å; G39-R41 VanDerWaalsContact C-N 3.27Å; G39-R41 PolarHBondContact O-N 2.95Å; R41-I43 VanDerWaalsContact C-N 3.34Å; R41-I43 PolarHBondContact O-N 2.88Å; R41-L47 HydrophobicContact CB-CD1 4.2Å; R41-L47 HydrophobicContact CB-CD2 3.67Å; R41-L47 WeakPolarHBondContact O-CD1 3.33Å; R41-L47 VanDerWaalsContact O-CD2 3.31Å; R41-L47 WeakPolarHBondContact O-CD2 2.89Å
42G57.9Low71.3Confident49 Ų4984.9 Ų84.951%0.50548%0.482SS..G310 helixtrans-73.7-9.3-174.500000117.1G39 Q40 A44G39-G42 PolarHBondContact O-N 2.94Å; Q40-G42 PolarHBondContact O-N 2.95Å; Q40-G42 VanDerWaalsContact O-N 3.15Å; G42-A44 PolarHBondContact O-N 3.22Å
43I58.8Low71.5Confident146 Ų14684.9 Ų84.975%0.74947%0.468SS*.G310 helixtrans-71.2-17.4-171.8-59169.9000112.6R41R41-I43 VanDerWaalsContact C-N 3.34Å; R41-I43 PolarHBondContact O-N 2.88Å
44A55.1Low71.4Confident82 Ų8284.8 Ų84.868%0.67848%0.477SS*.G310 helixtrans-135.661.4-173.600000114.3G42 R46G42-A44 PolarHBondContact O-N 3.22Å; A44-R46 VanDerWaalsContact C-N 3.27Å; A44-R46 PolarHBondContact O-N 2.83Å
45G57Low71.4Confident81 Ų8185.9 Ų85.984%0.83548%0.476SS*.SBendtrans56-8.6143.500000122.7
46R55.8Low71.5Confident239 Ų23986.3 Ų86.390%0.90248%0.481SS*.  trans-146.185.6-180-68.9-163.5-172.5-1074.1111.7A44A44-R46 VanDerWaalsContact C-N 3.27Å; A44-R46 PolarHBondContact O-N 2.83Å
47L63.4Low71.5Confident90 Ų9089.3 Ų89.347%0.47149%0.493SS..  trans-101.9115.1-179.3-71.4174.7000113.3R41 A49R41-L47 HydrophobicContact CB-CD1 4.2Å; R41-L47 HydrophobicContact CB-CD2 3.67Å; R41-L47 WeakPolarHBondContact O-CD1 3.33Å; R41-L47 VanDerWaalsContact O-CD2 3.31Å; R41-L47 WeakPolarHBondContact O-CD2 2.89Å; L47-A49 HydrophobicContact CB-CB 4.31Å; L47-A49 PolarHBondContact O-N 3.37Å
48R69.5Low71.5Confident254 Ų25494 Ų9496%0.95853%0.532SS*.  trans-7472.2150.7-69.7-177.7-178.3150.90.1108
49A72.4Confident71.6Confident45 Ų45101.7 Ų101.737%0.37256%0.559SS.*PPolyproline II helixtrans-77.8148.4173.400000110L38 L47 Q51L38-A49 HydrophobicContact CD1-CB 4.18Å; L47-A49 HydrophobicContact CB-CB 4.31Å; L47-A49 PolarHBondContact O-N 3.37Å; A49-Q51 PolarHBondContact O-N 3.07Å
50P76Confident72Confident38 Ų38103.5 Ų103.525%0.24756%0.563CS.*PPolyproline II helixtrans-58.1124170.223.8-31.9000109.6E9 L10 S13E9-P50 HydrophobicContact CB-CB 4.03Å; L10-P50 HydrophobicContact CB-CG 4.44Å; S13-P50 VanDerWaalsContact OG-CG 3.27Å; S13-P50 WeakPolarHBondContact OG-CG 3.41Å
51Q81.5Confident72.8Confident179 Ų179104.3 Ų104.384%0.83658%0.575SS**PPolyproline II helixtrans-68.6148.2-179.2-67.9-172.9-31.600111A49 D53A49-Q51 PolarHBondContact O-N 3.07Å; Q51-D53 PolarHBondContact O-N 3.48Å
52A81.5Confident73.7Confident70 Ų70106 Ų10658%0.57959%0.586SS**PPolyproline II helixtrans-63.9126.8173.500000110.1L10L10-A52 HydrophobicContact CD1-CB 4.23Å
53D82.8Confident75Confident60 Ų60106.4 Ų106.432%0.32158%0.584SS.*PPolyproline II helixtrans-71.6137.7-178.1-168.8-25000110.4Q51 K55 T56Q51-D53 PolarHBondContact O-N 3.48Å; D53-K55 HydrophobicContact CB-CG 4.17Å; D53-K55 VanDerWaalsContact CG-CG 3.49Å; D53-K55 PolarHBondContact O-N 3.41Å; D53-K55 VanDerWaalsContact O-N 3.13Å; D53-K55 PolarHBondContact OD1-N 3.32Å; D53-K55 WeakPolarHBondContact OD2-CD 3.44Å; D53-K55 WeakPolarHBondContact OD2-CE 3.27Å; D53-K55 WeakPolarHBondContact OD2-CG 3.48Å; D53-K55 IonicContact OD2-NZ 2.86Å; D53-K55 PolarHBondContact OD2-NZ 3.43Å; D53-T56 HydrophobicContact CB-CG2 4.44Å; D53-T56 PolarHBondContact O-N 2.93Å; D53-T56 VanDerWaalsContact O-N 3.07Å; D53-T56 PolarHBondContact O-OG1 3.06Å
54S81Confident76.2Confident77 Ų77103.1 Ų103.154%0.53857%0.567SS.*G310 helixtrans-59.9-24.4176.8-720000112.8T56 K57S54-T56 VanDerWaalsContact C-N 3.31Å; S54-T56 PolarHBondContact O-N 2.86Å; S54-K57 PolarHBondContact O-N 3.13Å
55K82.6Confident77.6Confident68 Ų68104.5 Ų104.530%0.29656%0.56SS.*G310 helixtrans-71.8-22.8177.580.9-164.7-178.9-154.20113.8E3 D53 K57E3-K55 VanDerWaalsContact O-CD 3.26Å; E3-K55 WeakPolarHBondContact O-CD 3.4Å; E3-K55 WeakPolarHBondContact O-CE 3.32Å; E3-K55 PolarHBondContact O-NZ 3.15Å; D53-K55 HydrophobicContact CB-CG 4.17Å; D53-K55 VanDerWaalsContact CG-CG 3.49Å; D53-K55 PolarHBondContact O-N 3.41Å; D53-K55 VanDerWaalsContact O-N 3.13Å; D53-K55 PolarHBondContact OD1-N 3.32Å; D53-K55 WeakPolarHBondContact OD2-CD 3.44Å; D53-K55 WeakPolarHBondContact OD2-CE 3.27Å; D53-K55 WeakPolarHBondContact OD2-CG 3.48Å; D53-K55 IonicContact OD2-NZ 2.86Å; D53-K55 PolarHBondContact OD2-NZ 3.43Å; K55-K57 VanDerWaalsContact C-N 3.33Å
56T80.8Confident78.8Confident73 Ų73106.2 Ų106.245%0.44855%0.546SS..G310 helixtrans-86-7.1178.657.10000112.9D53 S54 A58D53-T56 HydrophobicContact CB-CG2 4.44Å; D53-T56 PolarHBondContact O-N 2.93Å; D53-T56 VanDerWaalsContact O-N 3.07Å; D53-T56 PolarHBondContact O-OG1 3.06Å; S54-T56 VanDerWaalsContact C-N 3.31Å; S54-T56 PolarHBondContact O-N 2.86Å; T56-A58 PolarHBondContact O-N 2.76Å
57K80.9Confident79.9Confident71 Ų71101.5 Ų101.531%0.30953%0.532SS..SBendtrans-63.7131.1174.7-62.1-174-179.1-163.80109.9S54 K55 R59 T79 T80S54-K57 PolarHBondContact O-N 3.13Å; K55-K57 VanDerWaalsContact C-N 3.33Å; K57-R59 PolarHBondContact O-N 2.98Å; K57-T79 PolarHBondContact NZ-OG1 3.02Å; K57-T80 PolarHBondContact NZ-OG1 3.11Å
58A79.9Confident80.6Confident108 Ų108100.9 Ų100.989%0.89353%0.529SS*.  trans-57.6129.7174.300000109.5T56T56-A58 PolarHBondContact O-N 2.76Å
59R80.5Confident80.9Confident188 Ų18893.1 Ų93.171%0.70951%0.514SS*.  trans-108.8136173.7-64.9-168.9-179.4-168.5-1.9108.8K57K57-R59 PolarHBondContact O-N 2.98Å
60V81.1Confident80.9Confident73 Ų7399.5 Ų99.544%0.44253%0.533SS..  trans-71143.3168.9-66.70000109.5L64 Q65 L68V60-L64 HydrophobicContact CB-CB 4.32Å; V60-L64 HydrophobicContact CB-CD2 3.91Å; V60-L64 HydrophobicContact CB-CG 4.18Å; V60-L64 HydrophobicContact CG1-CD2 3.75Å; V60-L64 HydrophobicContact CG1-CG 4.28Å; V60-Q65 HydrophobicContact CG2-CB 3.94Å; V60-Q65 HydrophobicContact CG2-CG 4.3Å; V60-L68 HydrophobicContact CG1-CD1 4.19Å
61S85.6Confident80.4Confident71 Ų71104.9 Ų104.950%0.49755%0.553SS.*  trans-64.7155.3172.169.90000109.9A63 L64 Q65S61-A63 PolarHBondContact O-N 2.84Å; S61-L64 PolarHBondContact O-N 3.16Å; S61-L64 VanDerWaalsContact OG-CB 3.29Å; S61-L64 WeakPolarHBondContact OG-CB 3.42Å; S61-L64 PolarHBondContact OG-N 3.36Å; S61-L64 VanDerWaalsContact OG-N 3.13Å; S61-Q65 PolarHBondContact O-N 2.97Å
62K84.5Confident79.2Confident165 Ų16597.8 Ų97.872%0.71753%0.528SS*.Hα-helixtrans-56.8-37.4178.4-169.5175.9-177.4178.70112Q65 Q66K62-Q65 PolarHBondContact O-N 3.45Å; K62-Q66 WeakPolarHBondContact O-CG 3.31Å; K62-Q66 PolarHBondContact O-N 2.79Å
63A84.7Confident78Confident57 Ų5797.4 Ų97.447%0.47153%0.531SS..Hα-helixtrans-65.9-41.9174.900000112.3S61 Q66 K67S61-A63 PolarHBondContact O-N 2.84Å; A63-Q66 PolarHBondContact O-N 2.81Å; A63-K67 WeakPolarHBondContact O-CG 3.35Å; A63-K67 PolarHBondContact O-N 3.19Å
64L84.6Confident76.6Confident76 Ų76101.8 Ų101.840%0.39855%0.551SS.*Hα-helixtrans-67.6-39.6176.1-178.961.4000111.4V60 S61 Q66 K67 L68V60-L64 HydrophobicContact CB-CB 4.32Å; V60-L64 HydrophobicContact CB-CD2 3.91Å; V60-L64 HydrophobicContact CB-CG 4.18Å; V60-L64 HydrophobicContact CG1-CD2 3.75Å; V60-L64 HydrophobicContact CG1-CG 4.28Å; S61-L64 PolarHBondContact O-N 3.16Å; S61-L64 VanDerWaalsContact OG-CB 3.29Å; S61-L64 WeakPolarHBondContact OG-CB 3.42Å; S61-L64 PolarHBondContact OG-N 3.36Å; S61-L64 VanDerWaalsContact OG-N 3.13Å; L64-Q66 VanDerWaalsContact C-N 3.34Å; L64-Q66 PolarHBondContact O-N 3.25Å; L64-K67 PolarHBondContact O-N 3.28Å; L64-L68 HydrophobicContact CD1-CD1 4.22Å; L64-L68 HydrophobicContact CD1-CG 4.11Å; L64-L68 HydrophobicContact CG-CD1 3.9Å; L64-L68 HydrophobicContact CG-CG 4.26Å; L64-L68 WeakPolarHBondContact O-CB 3.32Å; L64-L68 VanDerWaalsContact O-CG 3.32Å; L64-L68 WeakPolarHBondContact O-CG 3.39Å; L64-L68 PolarHBondContact O-N 2.83Å
65Q83.6Confident75.2Confident112 Ų112102.9 Ų102.952%0.52356%0.559SS.*Hα-helixtrans-58.3-46.5175.2-167.5173.316.500111V60 S61 K62 K67 L68 S69V60-Q65 HydrophobicContact CG2-CB 3.94Å; V60-Q65 HydrophobicContact CG2-CG 4.3Å; S61-Q65 PolarHBondContact O-N 2.97Å; K62-Q65 PolarHBondContact O-N 3.45Å; Q65-K67 PolarHBondContact O-N 3.47Å; Q65-L68 PolarHBondContact O-N 2.86Å; Q65-S69 WeakPolarHBondContact O-CB 3.43Å; Q65-S69 PolarHBondContact O-N 2.91Å; Q65-S69 PolarHBondContact O-OG 2.69Å
66Q81.9Confident73.8Confident116 Ų116105.5 Ų105.554%0.54258%0.581SS.*Hα-helixtrans-62.3-41.7175.3-73.2176.7-14.300112.8K62 A63 L64 S69 K70K62-Q66 WeakPolarHBondContact O-CG 3.31Å; K62-Q66 PolarHBondContact O-N 2.79Å; A63-Q66 PolarHBondContact O-N 2.81Å; L64-Q66 VanDerWaalsContact C-N 3.34Å; L64-Q66 PolarHBondContact O-N 3.25Å; Q66-S69 PolarHBondContact O-N 2.87Å; Q66-K70 WeakPolarHBondContact O-CG 3.49Å; Q66-K70 PolarHBondContact O-N 2.87Å; Q66-K70 VanDerWaalsContact O-N 3.1Å
67K80.2Confident72.6Confident140 Ų140109.7 Ų109.761%0.60960%0.597SS**Hα-helixtrans-64.1-44.5176.5-72.9-178.7-179.6-172.80111.8A63 L64 Q65 S69 K70 F71A63-K67 WeakPolarHBondContact O-CG 3.35Å; A63-K67 PolarHBondContact O-N 3.19Å; L64-K67 PolarHBondContact O-N 3.28Å; Q65-K67 PolarHBondContact O-N 3.47Å; K67-S69 PolarHBondContact O-N 2.85Å; K67-K70 PolarHBondContact O-N 3.35Å; K67-F71 PolarHBondContact O-N 2.87Å
68L77.3Confident71.2Confident78 Ų78112.6 Ų112.641%0.40862%0.623SS.*Hα-helixtrans-65.7-36.7178-70.6171.7000112.3V60 L64 Q65 K70 F71V60-L68 HydrophobicContact CG1-CD1 4.19Å; L64-L68 HydrophobicContact CD1-CD1 4.22Å; L64-L68 HydrophobicContact CD1-CG 4.11Å; L64-L68 HydrophobicContact CG-CD1 3.9Å; L64-L68 HydrophobicContact CG-CG 4.26Å; L64-L68 WeakPolarHBondContact O-CB 3.32Å; L64-L68 VanDerWaalsContact O-CG 3.32Å; L64-L68 WeakPolarHBondContact O-CG 3.39Å; L64-L68 PolarHBondContact O-N 2.83Å; Q65-L68 PolarHBondContact O-N 2.86Å; L68-K70 VanDerWaalsContact C-N 3.33Å; L68-F71 PolarHBondContact O-N 3.05Å
69S76.1Confident69.8Low91 Ų91111 Ų11164%0.63660%0.603SS**Hα-helixtrans-64-37.8172.9-59.70000112.3Q65 Q66 K67Q65-S69 WeakPolarHBondContact O-CB 3.43Å; Q65-S69 PolarHBondContact O-N 2.91Å; Q65-S69 PolarHBondContact O-OG 2.69Å; Q66-S69 PolarHBondContact O-N 2.87Å; K67-S69 PolarHBondContact O-N 2.85Å
70K71.2Confident68.3Low178 Ų178107.4 Ų107.477%0.77460%0.602SS**Hα-helixtrans-73.7-33.7178.3-72.8-179.7176-160.90113.4Q66 K67 L68 G72Q66-K70 WeakPolarHBondContact O-CG 3.49Å; Q66-K70 PolarHBondContact O-N 2.87Å; Q66-K70 VanDerWaalsContact O-N 3.1Å; K67-K70 PolarHBondContact O-N 3.35Å; L68-K70 VanDerWaalsContact C-N 3.33Å; K70-G72 PolarHBondContact O-N 3.35Å
71F66.1Low66.7Low151 Ų151108.4 Ų108.466%0.66262%0.618SS**THydrogen-bonded Turntrans-79.26.1-179.8-95.7-83.5000114.6K67 L68K67-F71 PolarHBondContact O-N 2.87Å; L68-F71 PolarHBondContact O-N 3.05Å
72G56.6Low64.6Low30 Ų30114.1 Ų114.131%0.30964%0.642SS.*  trans72.277.9172.100000113.1K70 M74K70-G72 PolarHBondContact O-N 3.35Å; G72-M74 VanDerWaalsContact C-N 3.27Å; G72-M74 PolarHBondContact O-N 3.28Å
73G55.6Low62.8Low63 Ų63109.6 Ų109.665%0.64964%0.641SS**  trans61.919.8149.800000117.9S75G73-S75 VanDerWaalsContact C-N 3.28Å; G73-S75 PolarHBondContact O-N 3.32Å
74M53.4Low60.9Low152 Ų152111.3 Ų111.375%0.74966%0.656SS**  trans-74.985.7175-165.114984.500110.4G72 T76G72-M74 VanDerWaalsContact C-N 3.27Å; G72-M74 PolarHBondContact O-N 3.28Å; M74-T76 PolarHBondContact O-N 3.49Å
75S53.1Low59.2Low99 Ų99112.3 Ų112.369%0.69268%0.675SS**  trans15.693.2139.159.40000115.8G73G73-S75 VanDerWaalsContact C-N 3.28Å; G73-S75 PolarHBondContact O-N 3.32Å
76T51.8Low57.4Low123 Ų123112.5 Ų112.576%0.75569%0.689SS**  trans-146.1106.1147.3-32.80000108.4M74M74-T76 PolarHBondContact O-N 3.49Å
77M55.5Low55.8Low161 Ų161118.8 Ų118.879%0.79371%0.708SS**  trans89.1103.7172.7-60.3-64.7-154.100119.1T79M77-T79 HydrophobicContact CB-CG2 4.41Å
78P51.5Low54.1Low132 Ų132115.3 Ų115.386%0.85771%0.712SS**  trans-88.499.6160.233.9-23.1000108.3
79T51.5Low52.6Low75 Ų75115 Ų11546%0.4673%0.727SS.*  trans-141.1119.5164.2109.40000108.8K57 M77K57-T79 PolarHBondContact NZ-OG1 3.02Å; M77-T79 HydrophobicContact CB-CG2 4.41Å
80T49.3Very low51Low113 Ų113119.1 Ų119.169%0.69374%0.742SS**SBendtrans72.4119.5168.7510000117.5K57K57-T80 PolarHBondContact NZ-OG1 3.11Å
81A47.3Very low49.9Very low94 Ų94114.5 Ų114.578%0.77773%0.732SS**  trans84.587.1170.900000117.2G83A81-G83 PolarHBondContact O-N 3.43Å
82L41.6Very low49.1Very low191 Ų191113.7 Ų113.7100%174%0.739SS**  24.274121.3-16768.3000115
83G45.4Very low48.9Very low69 Ų69118.7 Ų118.771%0.71176%0.764SS**  trans-144.623.2177.100000112.1A81 A85A81-G83 PolarHBondContact O-N 3.43Å; G83-A85 PolarHBondContact O-N 2.9Å; G83-A85 VanDerWaalsContact O-N 3.11Å
84A45.3Very low48.4Very low93 Ų93125.5 Ų125.577%0.76977%0.77SS**  trans-76.984.3161.400000106.9S86A84-S86 PolarHBondContact O-N 3.23Å
85A47.9Very low48.2Very low98 Ų98127.2 Ų127.281%0.8177%0.773SS**  trans-68.371.3158.500000107.6G83 W87G83-A85 PolarHBondContact O-N 2.9Å; G83-A85 VanDerWaalsContact O-N 3.11Å; A85-W87 PolarHBondContact O-N 3.11Å
86S47.1Very low47.9Very low116 Ų116130.2 Ų130.281%0.81178%0.776SS**  trans-69.278.2164177.30000106.6A84A84-S86 PolarHBondContact O-N 3.23Å
87W47.8Very low47.9Very low248 Ų248129.5 Ų129.594%0.93977%0.771SS**  trans-115.5102171-177.2-95.3000108.9A85A85-W87 PolarHBondContact O-N 3.11Å
88G44.2Very low47.6Very low67 Ų67126.2 Ų126.269%0.69177%0.77SS**SBendtrans110.5102.3157.300000117
89G45.9Very low47.7Very low70 Ų70121.4 Ų121.472%0.72274%0.744SS**  trans92.6106.7137.500000117.6S91G89-S91 PolarHBondContact O-N 3.39Å
90N43.2Very low47.9Very low179 Ų179122.4 Ų122.496%0.95775%0.75SS**  trans-60.1114.6170.8-64.2-7.8000111.3
91S48.3Very low48.3Very low81 Ų81120.1 Ų120.157%0.56674%0.738SS**  trans-147116.5158.5-172.90000110G89 V93 R94G89-S91 PolarHBondContact O-N 3.39Å; S91-V93 PolarHBondContact O-N 3.34Å; S91-R94 PolarHBondContact O-N 2.96Å
92T49Very low48.9Very low133 Ų133118.3 Ų118.382%0.81672%0.72SS**THydrogen-bonded Turntrans-58.4110.1165.4138.80000107
93V51.2Low49.8Very low135 Ų135112 Ų11282%0.81869%0.692SS**THydrogen-bonded Turncis-148.170.331.4-1790000107.3S91S91-V93 PolarHBondContact O-N 3.34Å
94R45.1Very low50.8Low206 Ų206113.5 Ų113.578%0.77768%0.683SS**  trans-102.768.6174-74.7-145.9-59.7-137-0.8112.9S91S91-R94 PolarHBondContact O-N 2.96Å
95K49.7Very low52Low189 Ų189111 Ų11182%0.82266%0.662SS**SBendtrans-140.2100.1169.8-80.7-169.2177.4174.10111.4
96H48.3Very low52.8Low162 Ų162114.3 Ų114.375%0.7566%0.659SS**SBendtrans102.323.7156.8-61.2-78.7000122.5
97V50.5Low54Low108 Ų108110.8 Ų110.866%0.65563%0.632SS**  trans-138.660.3163.5-168.40000110.8
98A50.5Low55.1Low92 Ų92106 Ų10676%0.7663%0.633SS**  trans-113.288-176.800000109.9
99G53.6Low56.2Low30 Ų30110.6 Ų110.631%0.30964%0.641SS.*SBendtrans168-27.8174.700000115.8Q118G99-Q118 PolarHBondContact O-NE2 3Å
100T55.7Low57.3Low96 Ų96115 Ų11559%0.58964%0.643SS**SBendtrans-128.8-1.6-17957.60000113.8
101S56.6Low58.7Low65 Ų65108.2 Ų108.246%0.45562%0.615SS.*  trans-96114.3179.2-168.50000108.7S103S101-S103 PolarHBondContact O-N 3.49Å
102S59.7Low60.1Low56 Ų56109.8 Ų109.839%0.39262%0.616SS.*  trans-48.6122.815744.20000108.7I104S102-I104 PolarHBondContact O-N 2.68Å
103S61.5Low61.1Low60 Ų60108.3 Ų108.342%0.4260%0.6SS.*EExtended strand (participates in β ladder)trans-81.1116.2178.151.10000109S101 V115S101-S103 PolarHBondContact O-N 3.49Å; S103-V115 PolarHBondContact N-O 3.31Å; S103-V115 PolarHBondContact O-N 3.46Å; S103-V115 WeakPolarHBondContact OG-CB 3.49Å; S103-V115 PolarHBondContact OG-O 2.99Å
104I66.2Low62.1Low99 Ų99107.5 Ų107.551%0.50859%0.59SS.*EExtended strand (participates in β ladder)trans-87.8115.8172.7-57.5176.3000107.5S102 F106 L112 E113 I114S102-I104 PolarHBondContact O-N 2.68Å; I104-F106 HydrophobicContact CG2-CE2 4.2Å; I104-L112 HydrophobicContact CG2-CD2 3.61Å; I104-E113 CarbonylContact C-O 3.51Å; I104-E113 WeakPolarHBondContact CA-O 3.31Å; I104-I114 HydrophobicContact CG1-CG1 4.42Å
105A69.7Low63Low41 Ų41100.7 Ų100.734%0.33957%0.571SS.*EExtended strand (participates in β ladder)trans-103.3136.7173.900000109.9E113A105-E113 HydrophobicContact CB-CB 4.49Å; A105-E113 PolarHBondContact N-O 2.9Å; A105-E113 PolarHBondContact O-N 3.02Å
106F65.8Low63.9Low168 Ų16895 Ų9574%0.73755%0.55SS*.EExtended strand (participates in β ladder)trans-99.5113.9173.9-71-100.6000108.5I104 L112I104-F106 HydrophobicContact CG2-CE2 4.2Å; F106-L112 HydrophobicContact CD1-CD2 3.45Å; F106-L112 VanDerWaalsContact CD1-CD2 3.45Å; F106-L112 HydrophobicContact CD1-CG 4.44Å; F106-L112 HydrophobicContact CD2-CD2 4.18Å; F106-L112 HydrophobicContact CE1-CD2 3.11Å; F106-L112 HydrophobicContact CE1-CG 4.19Å; F106-L112 HydrophobicContact CE2-CD2 3.86Å; F106-L112 HydrophobicContact CG-CD2 3.99Å; F106-L112 HydrophobicContact CZ-CD2 3.32Å
107T71.5Confident64.6Low42 Ų4291 Ų9126%0.25854%0.538SS..EExtended strand (participates in β ladder)trans-107.3127.6171.960.70000109L109 Q110 G111T107-L109 PolarHBondContact O-N 3.11Å; T107-L109 VanDerWaalsContact O-N 3.11Å; T107-Q110 PolarHBondContact O-N 3.47Å; T107-Q110 WeakPolarHBondContact OG1-CB 3.44Å; T107-G111 PolarHBondContact N-O 3.41Å; T107-G111 WeakPolarHBondContact O-CA 3.31Å; T107-G111 PolarHBondContact O-N 3.21Å; T107-G111 PolarHBondContact OG1-N 3.39Å; T107-G111 PolarHBondContact OG1-O 3.1Å
108P70.9Confident65.1Low148 Ų14890.9 Ų90.996%0.96153%0.53SS*.THydrogen-bonded Turntrans-65.6-17.9-172.321.7-30.9000114.2
109L67.6Low65.6Low162 Ų16290.2 Ų90.285%0.84853%0.525SS*.THydrogen-bonded Turntrans-96.9-28.7179.8-170.463.9000113.5T107T107-L109 PolarHBondContact O-N 3.11Å; T107-L109 VanDerWaalsContact O-N 3.11Å
110Q69.1Low65.9Low164 Ų16492.9 Ų92.977%0.76654%0.544SS*.THydrogen-bonded Turntrans-124.1-7.3-169.2-70.5165.4-3300113.6T107T107-Q110 PolarHBondContact O-N 3.47Å; T107-Q110 WeakPolarHBondContact OG1-CB 3.44Å
111G72.5Confident66.1Low35 Ų3595.6 Ų95.636%0.36155%0.55SS..EExtended strand (participates in β ladder)trans88.9-140.1174.100000114.1T107T107-G111 PolarHBondContact N-O 3.41Å; T107-G111 WeakPolarHBondContact O-CA 3.31Å; T107-G111 PolarHBondContact O-N 3.21Å; T107-G111 PolarHBondContact OG1-N 3.39Å; T107-G111 PolarHBondContact OG1-O 3.1Å
112L77.1Confident66.3Low114 Ų114101.3 Ų101.360%0.59757%0.567SS**EExtended strand (participates in β ladder)trans-84.4115.1-175.8-69.4172.7000110.8I104 F106I104-L112 HydrophobicContact CG2-CD2 3.61Å; F106-L112 HydrophobicContact CD1-CD2 3.45Å; F106-L112 VanDerWaalsContact CD1-CD2 3.45Å; F106-L112 HydrophobicContact CD1-CG 4.44Å; F106-L112 HydrophobicContact CD2-CD2 4.18Å; F106-L112 HydrophobicContact CE1-CD2 3.11Å; F106-L112 HydrophobicContact CE1-CG 4.19Å; F106-L112 HydrophobicContact CE2-CD2 3.86Å; F106-L112 HydrophobicContact CG-CD2 3.99Å; F106-L112 HydrophobicContact CZ-CD2 3.32Å
113E70Confident66.4Low103 Ų103104.2 Ų104.248%0.48158%0.584SS.*EExtended strand (participates in β ladder)trans-105.9126.4171.9-170-178.917600110.2I104 A105 V115I104-E113 CarbonylContact C-O 3.51Å; I104-E113 WeakPolarHBondContact CA-O 3.31Å; A105-E113 HydrophobicContact CB-CB 4.49Å; A105-E113 PolarHBondContact N-O 2.9Å; A105-E113 PolarHBondContact O-N 3.02Å; E113-V115 HydrophobicContact CG-CG2 4.04Å
114I72.8Confident66.3Low118 Ų118108.4 Ų108.461%0.60560%0.6SS**EExtended strand (participates in β ladder)trans-100.7103.3177.3-54178.6000108.1I104I104-I114 HydrophobicContact CG1-CG1 4.42Å
115V64.5Low65.9Low62 Ų62111.5 Ų111.538%0.37661%0.612SS.*EExtended strand (participates in β ladder)trans-96.4115.6176-179.50000108.9S103 E113 P117S103-V115 PolarHBondContact N-O 3.31Å; S103-V115 PolarHBondContact O-N 3.46Å; S103-V115 WeakPolarHBondContact OG-CB 3.49Å; S103-V115 PolarHBondContact OG-O 2.99Å; E113-V115 HydrophobicContact CG-CG2 4.04Å; V115-P117 WeakPolarHBondContact O-CD 3.12Å
116N67.3Low65.4Low71 Ų71114.2 Ų114.238%0.3863%0.625SS.*  trans-97.2104.5171.2-176.51000109.4Q118 A119N116-Q118 PolarHBondContact O-N 3.13Å; N116-Q118 VanDerWaalsContact O-N 3.17Å; N116-Q118 WeakPolarHBondContact OD1-CB 3.46Å; N116-Q118 PolarHBondContact OD1-N 3.24Å; N116-A119 HydrophobicContact CB-CB 4.04Å; N116-A119 WeakPolarHBondContact O-CB 3.48Å; N116-A119 PolarHBondContact O-N 2.83Å
117P64Low65Low78 Ų78108.7 Ų108.751%0.50662%0.615SS.*G310 helixtrans-63.4-22.1179.226-33.8000112.9V115 A119V115-P117 WeakPolarHBondContact O-CD 3.12Å; P117-A119 VanDerWaalsContact C-N 3.33Å
118Q61.1Low64.4Low105 Ų105112 Ų11249%0.49163%0.631SS.*G310 helixtrans-76.8-19.3176-57.7-175.5-46.300112.8G99 N116 A120 E121G99-Q118 PolarHBondContact O-NE2 3Å; N116-Q118 PolarHBondContact O-N 3.13Å; N116-Q118 VanDerWaalsContact O-N 3.17Å; N116-Q118 WeakPolarHBondContact OD1-CB 3.46Å; N116-Q118 PolarHBondContact OD1-N 3.24Å; Q118-A120 VanDerWaalsContact C-N 3.25Å; Q118-A120 PolarHBondContact O-N 3.33Å; Q118-E121 PolarHBondContact O-N 2.81Å
119A60.1Low64.1Low78 Ų78112.4 Ų112.465%0.64562%0.617SS**G310 helixtrans-72-20.6176.400000112.7N116 P117 E121N116-A119 HydrophobicContact CB-CB 4.04Å; N116-A119 WeakPolarHBondContact O-CB 3.48Å; N116-A119 PolarHBondContact O-N 2.83Å; P117-A119 VanDerWaalsContact C-N 3.33Å; A119-E121 VanDerWaalsContact C-N 3.33Å
120A60.9Low64Low86 Ų86113.8 Ų113.871%0.71161%0.613SS**G310 helixtrans-79.3-14.7176.300000113.2Q118 K122Q118-A120 VanDerWaalsContact C-N 3.25Å; Q118-A120 PolarHBondContact O-N 3.33Å; A120-K122 PolarHBondContact O-N 3.46Å; A120-K122 VanDerWaalsContact O-N 3.13Å
121E59.3Low63.9Low152 Ų152115 Ų11571%0.7162%0.616SS**SBendtrans-75.1103.4172.3-66.4-171174.600108.7Q118 A119Q118-E121 PolarHBondContact O-N 2.81Å; A119-E121 VanDerWaalsContact C-N 3.33Å
122K60.7Low63.8Low186 Ų186114.3 Ų114.381%0.80961%0.606SS**  trans-52.3128.5164.8-68.9179.6-179.8177.30107.1A120 I124A120-K122 PolarHBondContact O-N 3.46Å; A120-K122 VanDerWaalsContact O-N 3.13Å; K122-I124 PolarHBondContact O-N 3.39Å
123P61.3Low63.7Low116 Ų116115.3 Ų115.375%0.75362%0.622SS**  trans-56113.8174.524.6-32.4000106.4E125P123-E125 PolarHBondContact O-N 3.43Å
124I60.4Low64Low148 Ų148116.6 Ų116.676%0.75964%0.637SS**  trans-53.6120.7177.5-52171.8000105.2K122 V126K122-I124 PolarHBondContact O-N 3.39Å; I124-V126 HydrophobicContact CB-CG2 3.92Å; I124-V126 HydrophobicContact CG2-CG2 3.34Å; I124-V126 PolarHBondContact O-N 3.45Å
125E58.2Low63.7Low164 Ų164114.9 Ų114.977%0.76664%0.635SS**THydrogen-bonded Turntrans-66.751.7-177.4-65.1179163.900112P123P123-E125 PolarHBondContact O-N 3.43Å
126V58.6Low64.1Low99 Ų99115.1 Ų115.160%0.665%0.65SS**THydrogen-bonded Turntrans-88.1-21.1176.1-166.10000110.2I124 N128I124-V126 HydrophobicContact CB-CG2 3.92Å; I124-V126 HydrophobicContact CG2-CG2 3.34Å; I124-V126 PolarHBondContact O-N 3.45Å; V126-N128 PolarHBondContact O-N 3.24Å
127G57.5Low64.6Low51 Ų51121.7 Ų121.753%0.52668%0.676SS.*THydrogen-bonded Turntrans-68.9-25.7-17800000115.2
128N59.7Low65.1Low112 Ų112124.1 Ų124.160%0.59969%0.689SS**THydrogen-bonded Turntrans-89.60.8-172.4-76.4-6000115.2V126V126-N128 PolarHBondContact O-N 3.24Å
129K63.4Low66Low156 Ų156128.2 Ų128.268%0.67871%0.705SS**THydrogen-bonded Turntrans-88.7-28.3-173.8-70.5-174.2-175.9-179.50115.1
130Y65.1Low67Low192 Ų192131.9 Ų131.975%0.75371%0.712SS**THydrogen-bonded Turntrans-134.6-21.8-173.3-61.1-74.7000114.6
131F68.4Low67.7Low189 Ų189135.7 Ų135.783%0.82972%0.715SS**  trans-141.960.1-175.7-57.9-76000111.3
132S70.5Confident68.5Low21 Ų21133.4 Ų133.415%0.14772%0.716CS.*  trans-100.2142170.6103.70000109.6T134 C135S132-T134 PolarHBondContact O-N 3.41Å; S132-T134 VanDerWaalsContact O-N 3.16Å; S132-T134 PolarHBondContact OG-N 3.07Å; S132-C135 PolarHBondContact O-N 3.23Å; S132-C135 WeakPolarHBondContact OG-CB 3.31Å; S132-C135 PolarHBondContact OG-N 3.31Å; S132-C135 PolarHBondContact OG-SG 3.28Å
133S73.6Confident69.1Low134 Ų134134.2 Ų134.294%0.93772%0.72SS**THydrogen-bonded Turntrans-62.3-17.7174.943.80000113.1
134T77Confident69.2Low130 Ų130136.3 Ų136.380%0.79872%0.722SS**THydrogen-bonded Turntrans-96.9-19.7179.7-42.90000112.8S132S132-T134 PolarHBondContact O-N 3.41Å; S132-T134 VanDerWaalsContact O-N 3.16Å; S132-T134 PolarHBondContact OG-N 3.07Å
135C66.6Low69.4Low82 Ų82139.2 Ų139.255%0.55473%0.729SS**  trans-97.1103.7-177.1-68.60000110.5S132S132-C135 PolarHBondContact O-N 3.23Å; S132-C135 WeakPolarHBondContact OG-CB 3.31Å; S132-C135 PolarHBondContact OG-N 3.31Å; S132-C135 PolarHBondContact OG-SG 3.28Å
136G72.5Confident69.7Low68 Ų68138.5 Ų138.570%0.70173%0.73SS**PPolyproline II helixtrans-74.6164.2172.300000113.7
137F77.1Confident69.8Low209 Ų209137.2 Ų137.292%0.91774%0.737SS**PPolyproline II helixtrans-74.3132174.7-63.6-83000111.4
138T74.9Confident69.2Low128 Ų128145.3 Ų145.379%0.78578%0.775SS**PPolyproline II helixtrans-102.1126168.752.70000110.1I140T138-I140 PolarHBondContact O-N 3.15Å
139K81.1Confident69.7Low192 Ų192147 Ų14784%0.83578%0.784SS**  trans-80.2105.7172.4-177-179.7179.4-178.60108.7Q141K139-Q141 PolarHBondContact O-N 3.35Å
140I79.9Confident70Confident154 Ų154146.5 Ų146.579%0.7979%0.79SS**  trans-73.6113.1172.9-57172.8000107.8T138T138-I140 PolarHBondContact O-N 3.15Å
141Q77Confident70.3Confident166 Ų166143.9 Ų143.978%0.77679%0.792SS**  trans-76.7122.4169.5-65.5-152.357.600109.2K139 K143K139-Q141 PolarHBondContact O-N 3.35Å; Q141-K143 PolarHBondContact O-N 3.45Å
142S74.9Confident70.4Confident105 Ų105141.3 Ų141.373%0.73479%0.79SS**  trans-59.5123.4169.9169.90000109.3M144S142-M144 PolarHBondContact O-N 2.82Å
143K74.3Confident70.4Confident203 Ų203148.8 Ų148.888%0.88383%0.83SS**  trans-68.8102.1165.4-72-160.5178.3-172.50107.6Q141 K145Q141-K143 PolarHBondContact O-N 3.45Å; K143-K145 PolarHBondContact O-N 3.23Å; K143-K145 VanDerWaalsContact O-N 3.15Å
144M61.9Low70.2Confident160 Ų160149.8 Ų149.879%0.78882%0.823SS**  trans-59.3116.6165.1-74.4174.866.300108.2S142 N146S142-M144 PolarHBondContact O-N 2.82Å; M144-N146 PolarHBondContact O-N 3.17Å
145K65.1Low69.7Low208 Ų208151.2 Ų151.290%0.90482%0.824SS**  trans-63.4108164.2-92.6178.2167.9178.40107.3K143 G147K143-K145 PolarHBondContact O-N 3.23Å; K143-K145 VanDerWaalsContact O-N 3.15Å; K145-G147 PolarHBondContact O-N 2.69Å
146N64Low69.9Low150 Ų150156.5 Ų156.580%0.80285%0.845SS**  trans-77.3106.1160.2-71.8-7.2000106.9M144M144-N146 PolarHBondContact O-N 3.17Å
147G62.1Low69.7Low71 Ų71163.9 Ų163.973%0.73286%0.857SS**  trans-70.6146.9160.600000109.6K145K145-G147 PolarHBondContact O-N 2.69Å
148V44Very low69Low221 Ų221159.8 Ų159.8100%1.33985%0.852SS**  trans-63.40159177.30000109

Retrieved 148 of 148 residues in 165.1 ms (Link to these results)