A0A077ZEM2_TRITR Loading...

HSP20 domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZEM2, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 162 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
1M37.5Very low37.3Very low240 Ų240156.1 Ų156.1100%1.18279%0.785SS**  0110.90-76.1162.3-168.700106.3L3M1-L3 PolarHBondContact O-N 3.04Å
2A37.5Very low37.4Very low91 Ų91159.6 Ų159.675%0.75278%0.782SS**  trans-70.2114.5-178.300000108.1H4A2-H4 PolarHBondContact O-N 2.71Å; A2-H4 VanDerWaalsContact O-N 3.16Å
3L32.8Very low37.5Very low161 Ų161159.1 Ų159.184%0.84379%0.785SS**  trans-69.6111.3171.1-67.8173.1000106.6M1 V5M1-L3 PolarHBondContact O-N 3.04Å; L3-V5 PolarHBondContact O-N 2.84Å
4H33.7Very low37.8Very low183 Ų183154.7 Ų154.785%0.84777%0.766SS**  trans-62.2102.7168.4-72.4-96.3000107.3A2 W6A2-H4 PolarHBondContact O-N 2.71Å; A2-H4 VanDerWaalsContact O-N 3.16Å; H4-W6 PolarHBondContact O-N 3.1Å
5V34.6Very low38.1Very low121 Ų121160.8 Ų160.873%0.73378%0.777SS**  trans-60.4123.1170.9165.10000107.6L3 H7L3-V5 PolarHBondContact O-N 2.84Å; V5-H7 PolarHBondContact O-N 3.42Å
6W27.6Very low38.1Very low218 Ų218156.4 Ų156.483%0.82677%0.768SS**  trans-58.1131.8178.5-141.173.8000109.3H4 P8H4-W6 PolarHBondContact O-N 3.1Å; W6-P8 HydrophobicContact CE3-CB 4.41Å; W6-P8 HydrophobicContact CZ3-CB 4.47Å; W6-P8 WeakPolarHBondContact O-CD 3.17Å
7H38.6Very low38.6Very low163 Ų163151.3 Ų151.376%0.75575%0.751SS**  trans-94.6104.5174.4-69.8173.4000109.6V5 F9V5-H7 PolarHBondContact O-N 3.42Å; H7-F9 PolarHBondContact O-N 2.87Å
8P40.6Very low38.5Very low75 Ų75151.6 Ų151.649%0.48776%0.755SS.*  trans-80.551174.633.5-34.7000111.6W6W6-P8 HydrophobicContact CE3-CB 4.41Å; W6-P8 HydrophobicContact CZ3-CB 4.47Å; W6-P8 WeakPolarHBondContact O-CD 3.17Å
9F43Very low38.7Very low127 Ų127156.2 Ų156.256%0.55776%0.763SS**  trans-150.850.1-174.6-73.8-74.7000115.8H7 T116H7-F9 PolarHBondContact O-N 2.87Å; F9-T116 HydrophobicContact CZ-CG2 4.36Å
10S40.9Very low38.8Very low115 Ų115153.1 Ų153.180%0.80476%0.758SS**SBendtrans-130.35.1174.3810000118.3
11W44.1Very low38.5Very low223 Ų223153.1 Ų153.185%0.84576%0.76SS**  trans-13338-171.385.2-49.1000115.9
12W37.8Very low38.6Very low198 Ų198150.3 Ų150.375%0.7574%0.741SS**  trans-105.559157.8-76.813.5000109.1A118W12-A118 HydrophobicContact CH2-CB 3.69Å; W12-A118 HydrophobicContact CZ3-CB 3.85Å
13D39.5Very low38.5Very low153 Ų153157.6 Ų157.682%0.81875%0.749SS**  trans-13454.7169.4-139.6-16.7000107.9
14D41.1Very low39.2Very low98 Ų98156.3 Ų156.352%0.52475%0.752SS.*  trans-119.189.4160.2-166.6-0.4000108.8S16D14-S16 PolarHBondContact O-N 2.84Å; D14-S16 WeakPolarHBondContact OD1-CB 3.35Å; D14-S16 PolarHBondContact OD1-N 3.13Å; D14-S16 VanDerWaalsContact OD1-N 3.13Å; D14-S16 PolarHBondContact OD1-OG 2.77Å
15R42.2Very low39.1Very low246 Ų246159 Ų15993%0.92876%0.755SS**THydrogen-bonded Turntrans-63.921.3172-156.8172.1-175.3-114.12.1112.9
16S39Very low39.6Very low91 Ų91156.8 Ų156.864%0.63674%0.744SS**THydrogen-bonded Turntrans-140-13.7-170.7-15.30000116.2D14D14-S16 PolarHBondContact O-N 2.84Å; D14-S16 WeakPolarHBondContact OD1-CB 3.35Å; D14-S16 PolarHBondContact OD1-N 3.13Å; D14-S16 VanDerWaalsContact OD1-N 3.13Å; D14-S16 PolarHBondContact OD1-OG 2.77Å
17S45.2Very low40.1Very low69 Ų69153.3 Ų153.348%0.48374%0.742SS.*G310 helixtrans-94.93.7-168.579.30000116.6R19 S20S17-R19 PolarHBondContact O-N 3.15Å; S17-S20 PolarHBondContact O-N 2.68Å
18L38.1Very low40.5Very low157 Ų157153.6 Ų153.682%0.82275%0.749SS**G310 helixtrans-622.3171.9-82.2175.1000114.7L21L18-L21 HydrophobicContact CD2-CD1 3.89Å
19R40.8Very low40.7Very low239 Ų239157 Ų15790%0.90276%0.762SS**G310 helixtrans-88.8-5.4165.5-70.7-169.7-164.9-99.61.2115S17S17-R19 PolarHBondContact O-N 3.15Å
20S41Very low40.8Very low94 Ų94161.8 Ų161.866%0.65778%0.777SS**  trans-130.752.9-178.1-690000112.1S17 K22S17-S20 PolarHBondContact O-N 2.68Å; S20-K22 PolarHBondContact O-N 2.67Å
21L32.9Very low40.8Very low153 Ų153160.8 Ų160.880%0.80177%0.768SS**  trans-72.819.1166.7-134125.5000112.9L18L18-L21 HydrophobicContact CD2-CD1 3.89Å
22K39.3Very low41.2Very low182 Ų182155.9 Ų155.979%0.79176%0.763SS**SBendtrans-111.3121.1169.3-82.6-166.3175.8-170.70107.8S20S20-K22 PolarHBondContact O-N 2.67Å
23R36.8Very low41.4Very low243 Ų243150.8 Ų150.892%0.91776%0.763SS**SBendtrans102.177170-55.9166.2-179166.4-0.4114.7
24C47.6Very low41.9Very low134 Ų134154.2 Ų154.291%0.90576%0.764SS**SBendtrans-155.711.7144.7-1330000114.9
25W30.7Very low41.8Very low241 Ų241156.3 Ų156.391%0.91377%0.771SS**SBendtrans-111.924.2176.4112-64.5000112.5
26S44Very low42Very low73 Ų73150.7 Ų150.751%0.5176%0.764SS.*  trans-147.7113.9172.8-48.40000102.3
27D38.3Very low42Very low145 Ų145152.6 Ų152.678%0.77576%0.763SS**  -170.331.383.7-74.7-40.5000113.7L29D27-L29 VanDerWaalsContact C-N 3.29Å; D27-L29 PolarHBondContact O-N 3.35Å
28D47.3Very low41.7Very low170 Ų170156.6 Ų156.691%0.90978%0.779SS**SBendtrans-83.282.1170.4-78.9-41.3000111.2
29L45Very low41.7Very low145 Ų145154.6 Ų154.676%0.75977%0.767SS**  trans36.195.9132.2-127.180.7000115.3D27 P31D27-L29 VanDerWaalsContact C-N 3.29Å; D27-L29 PolarHBondContact O-N 3.35Å; L29-P31 HydrophobicContact CD2-CG 3.97Å; L29-P31 HydrophobicContact CG-CG 4.13Å; L29-P31 WeakPolarHBondContact O-CD 3.29Å
30W45.7Very low41.6Very low228 Ų228149.4 Ų149.486%0.86476%0.757SS**  trans-95.588.6156.755.5-75000109.6
31P40.7Very low41.9Very low95 Ų95152.9 Ų152.962%0.61776%0.763SS**  trans-110.866.9166.938.6-30.8000110.4L29L29-P31 HydrophobicContact CD2-CG 3.97Å; L29-P31 HydrophobicContact CG-CG 4.13Å; L29-P31 WeakPolarHBondContact O-CD 3.29Å
32T52.6Low42.3Very low120 Ų120150.1 Ų150.174%0.73676%0.762SS**  trans-141.267.9154.140.30000109.6R34T32-R34 VanDerWaalsContact C-N 3.3Å; T32-R34 PolarHBondContact O-N 3.49Å; T32-R34 VanDerWaalsContact O-N 3.12Å
33A42.1Very low42.3Very low91 Ų91149.4 Ų149.475%0.75277%0.766SS**  trans-64.996.2148.900000107.4
34R50.4Low42.9Very low224 Ų224145.2 Ų145.285%0.84576%0.761SS**  trans-106.188158.3-81.7-168.5174.3138.1-0.1108.2T32 V36T32-R34 VanDerWaalsContact C-N 3.3Å; T32-R34 PolarHBondContact O-N 3.49Å; T32-R34 VanDerWaalsContact O-N 3.12Å; R34-V36 PolarHBondContact O-N 3.36Å
35Q39Very low42.7Very low143 Ų143143.7 Ų143.767%0.66875%0.752SS**  trans-40111.6154.5-178.9-179.9-9.400110.2E37Q35-E37 HydrophobicContact CG-CG 4.18Å; Q35-E37 PolarHBondContact NE2-OE1 2.97Å; Q35-E37 PolarHBondContact NE2-OE2 2.97Å; Q35-E37 VanDerWaalsContact NE2-OE2 3.13Å
36V45.6Very low43.1Very low128 Ų128137.2 Ų137.278%0.77674%0.744SS**  trans-122.995.9153.3-178.20000105.1R34 D38R34-V36 PolarHBondContact O-N 3.36Å; V36-D38 PolarHBondContact O-N 3.16Å
37E38.1Very low42.8Very low131 Ų131140.3 Ų140.361%0.61276%0.762SS**  trans-66.5117.7157.7-63.5135.8159.600106.1Q35Q35-E37 HydrophobicContact CG-CG 4.18Å; Q35-E37 PolarHBondContact NE2-OE1 2.97Å; Q35-E37 PolarHBondContact NE2-OE2 2.97Å; Q35-E37 VanDerWaalsContact NE2-OE2 3.13Å
38D39.7Very low43Very low153 Ų153139.7 Ų139.782%0.81876%0.763SS**  trans-131.1127.2151.1-148.4-32.9000108.5V36V36-D38 PolarHBondContact O-N 3.16Å
39I38.1Very low42.7Very low114 Ų114137.4 Ų137.459%0.58576%0.761SS**  trans-112.8126.3-154.8-76.3172.7000106.2
40D39.3Very low42.8Very low130 Ų130133.9 Ų133.970%0.69575%0.753SS**  trans65154.4150.5-64.3-34.6000121.9
41H47.5Very low42.8Very low167 Ų167131.5 Ų131.577%0.77375%0.751SS**  trans94.374.9154.7-46.9-63.5000118.2
42A41.3Very low42.9Very low95 Ų95133.2 Ų133.279%0.78576%0.762SS**  trans-148.485.3137.500000110.4L44A42-L44 PolarHBondContact O-N 2.76Å
43L39.1Very low42.5Very low167 Ų167138.1 Ų138.187%0.87477%0.768SS**  trans-57.896.8160.2-63.2167.2000108.4
44L48.5Very low42.7Very low156 Ų156138.2 Ų138.282%0.81777%0.768SS**  trans-160.2130.3162.7-94.8129.2000112.4A42A42-L44 PolarHBondContact O-N 2.76Å
45S44Very low42.1Very low102 Ų102133.3 Ų133.371%0.71376%0.763SS**  trans69.697.2156.457.70000119.8
46S38.1Very low42.5Very low105 Ų105132.5 Ų132.573%0.73477%0.768SS**  63.1117.2120.2-54.30000119.9T48S46-T48 PolarHBondContact O-N 2.87Å
47P39.1Very low42.5Very low138 Ų138132.2 Ų132.290%0.89677%0.772SS**  trans-75.298.1174.431.6-31.4000109.5
48T41.8Very low43.1Very low131 Ų131128.7 Ų128.780%0.80477%0.765SS**  trans-89.7118.8165.1-163.70000109.4S46 A50S46-T48 PolarHBondContact O-N 2.87Å; T48-A50 PolarHBondContact O-N 3.02Å
49S40.6Very low43.6Very low123 Ų123127 Ų12786%0.8677%0.765SS**  trans-61.796.2173.4164.30000109.8
50A46.5Very low44.3Very low71 Ų71127.8 Ų127.859%0.58777%0.771SS**  trans-154.3103.5164.500000110.2T48T48-A50 PolarHBondContact O-N 3.02Å
51E46Very low45.7Very low177 Ų177124.1 Ų124.183%0.82776%0.764SS**  trans71123.8149.1-54.6-177.7121.900117.5R53E51-R53 PolarHBondContact O-N 2.85Å
52P44.1Very low47.3Very low131 Ų131119.6 Ų119.685%0.85175%0.747SS**  trans-67.787.5163.727.9-27000107.3A54P52-A54 VanDerWaalsContact C-N 3.26Å; P52-A54 PolarHBondContact O-N 3.11Å
53R44.2Very low49.6Very low224 Ų224117.8 Ų117.885%0.84573%0.729SS**  trans-60.7103.4157.6-172177-175.9114.5-1.7104E51 T55E51-R53 PolarHBondContact O-N 2.85Å; R53-T55 PolarHBondContact O-N 2.84Å
54A44.8Very low52.3Low93 Ų93112.7 Ų112.777%0.76971%0.707SS**  trans-52.295.7176.600000107.9P52 T56P52-A54 VanDerWaalsContact C-N 3.26Å; P52-A54 PolarHBondContact O-N 3.11Å; A54-T56 PolarHBondContact O-N 2.86Å
55T37.8Very low54.6Low121 Ų121108.1 Ų108.174%0.74269%0.686SS**  trans-77.1103.3173.939.60000104.5R53R53-T55 PolarHBondContact O-N 2.84Å
56T47.5Very low57.1Low125 Ų125105.9 Ų105.977%0.76767%0.665SS**  trans158.973.7153.141.40000106A54 A58A54-T56 PolarHBondContact O-N 2.86Å; T56-A58 PolarHBondContact O-N 2.95Å
57S45.9Very low59.8Low123 Ų123104.9 Ų104.986%0.8665%0.652SS**  trans-66.567.7142-58.40000106.1S59S57-S59 PolarHBondContact O-N 2.91Å
58A51.3Low62.3Low56 Ų56102.9 Ų102.946%0.46363%0.634SS.*  trans-56.8106.815800000102.3T56 N60T56-A58 PolarHBondContact O-N 2.95Å; A58-N60 PolarHBondContact O-N 3.33Å
59S49.8Very low64.6Low117 Ų117101 Ų10182%0.81862%0.618SS**  trans-64.625.7-179.657.50000112.4S57 G61S57-S59 PolarHBondContact O-N 2.91Å; S59-G61 PolarHBondContact O-N 2.89Å; S59-G61 VanDerWaalsContact O-N 3.14Å
60N54.1Low67.1Low132 Ų132103.4 Ų103.471%0.70661%0.613SS**  trans-64.5108.8166.5-63-4000105A58 V62A58-N60 PolarHBondContact O-N 3.33Å; N60-V62 PolarHBondContact O-N 3.23Å; N60-V62 VanDerWaalsContact O-N 3.16Å
61G68.7Low69.4Low53 Ų53103.1 Ų103.155%0.54660%0.599SS.*  trans-42.7124.5-179.800000110.4S59 S63S59-G61 PolarHBondContact O-N 2.89Å; S59-G61 VanDerWaalsContact O-N 3.14Å; G61-S63 PolarHBondContact O-N 2.97Å; G61-S63 VanDerWaalsContact O-N 3.16Å
62V80.5Confident71.8Confident71 Ų7194.9 Ų94.943%0.4356%0.56SS.*  trans-62.4124.6-174.256.20000108.5N60 D77 L139N60-V62 PolarHBondContact O-N 3.23Å; N60-V62 VanDerWaalsContact O-N 3.16Å; V62-D77 HydrophobicContact CG1-CB 3.74Å; V62-D77 PolarHBondContact O-N 3.29Å; V62-L139 HydrophobicContact CG1-CD1 4.4Å; V62-L139 HydrophobicContact CG1-CD2 3.28Å; V62-L139 HydrophobicContact CG1-CG 4.48Å
63S89.6Confident74.3Confident58 Ų5890 Ų9041%0.40653%0.527SS..EExtended strand (participates in β ladder)trans-140.7136.2168.966.20000111.5G61 T75 R117G61-S63 PolarHBondContact O-N 2.97Å; G61-S63 VanDerWaalsContact O-N 3.16Å; S63-T75 CarbonylContact C-O 3.54Å; S63-T75 VanDerWaalsContact CA-O 3.22Å; S63-T75 WeakPolarHBondContact CA-O 3.47Å; S63-R117 PolarHBondContact OG-NH1 2.87Å; S63-R117 PolarHBondContact OG-NH2 3.5Å
64S95.2Very high76.9Confident59 Ų5979.4 Ų79.441%0.41349%0.486SS..EExtended strand (participates in β ladder)trans-142.5134.5-176.5-177.20000109.7T75S64-T75 PolarHBondContact N-O 2.89Å; S64-T75 PolarHBondContact O-N 2.85Å
65V96.6Very high79.4Confident61 Ų6175.9 Ų75.937%0.3746%0.456SS..EExtended strand (participates in β ladder)trans-121.7123.6176.3-178.10000108.4F72 Q73 D74 Y119V65-F72 HydrophobicContact CG1-CE2 3.84Å; V65-F72 HydrophobicContact CG1-CZ 4.21Å; V65-Q73 CarbonylContact C-O 3.58Å; V65-Q73 WeakPolarHBondContact CA-O 3.22Å; V65-D74 WeakPolarHBondContact CG2-OD1 3.26Å; V65-Y119 HydrophobicContact CG2-CE1 3.72Å; V65-Y119 WeakPolarHBondContact CG2-OH 3.44Å
66I96.5Very high82.2Confident54 Ų5470.5 Ų70.528%0.27742%0.422SS..EExtended strand (participates in β ladder)trans-106.3123.6172.7-58.7171.5000107.2D68 F72 Q73I66-D68 WeakPolarHBondContact CG2-OD2 3.07Å; I66-F72 CarbonylContact O-C 3.56Å; I66-F72 WeakPolarHBondContact O-CA 3.46Å; I66-Q73 HydrophobicContact CB-CB 4.26Å; I66-Q73 PolarHBondContact N-O 2.82Å; I66-Q73 PolarHBondContact O-N 2.82Å
67N94.8Very high84.6Confident84 Ų8467.6 Ų67.645%0.44940%0.402SS..EExtended strand (participates in β ladder)trans-135.969.2-178.5-174.915.3000110.1F72 P122 K146N67-F72 HydrophobicContact CB-CD2 4.27Å; N67-P122 WeakPolarHBondContact OD1-CG 3.24Å; N67-K146 WeakPolarHBondContact OD1-CE 3.17Å; N67-K146 PolarHBondContact OD1-NZ 3.07Å
68D92.1Very high87Confident97 Ų9762 Ų6252%0.51936%0.362SS..  trans-98172.7-176-58.5-15.8000110.5I66 K70 K71 K146I66-D68 WeakPolarHBondContact CG2-OD2 3.07Å; D68-K70 PolarHBondContact O-N 2.6Å; D68-K71 PolarHBondContact N-O 2.77Å; D68-K71 VanDerWaalsContact N-O 3.11Å; D68-K71 PolarHBondContact O-N 2.78Å; D68-K146 VanDerWaalsContact O-CD 3.24Å; D68-K146 WeakPolarHBondContact O-CD 3.46Å; D68-K146 WeakPolarHBondContact O-CE 3.33Å; D68-K146 PolarHBondContact O-NZ 2.74Å
69D90Very high89.1Confident90 Ų9063.1 Ų63.148%0.48136%0.364SS..SBendtrans-51.4-24.6175.5-77.8-12.4000115.2P150D69-P150 HydrophobicContact CB-CB 4.01Å; D69-P150 HydrophobicContact CB-CG 3.41Å; D69-P150 VanDerWaalsContact CB-CG 3.41Å; D69-P150 WeakPolarHBondContact OD1-CB 3.24Å
70K92.3Very high91.2Very high174 Ų17463 Ų6376%0.75735%0.35SS*.SBendtrans-98-35.4-174.7-61.8178.3-177175.80114D68 K146D68-K70 PolarHBondContact O-N 2.6Å; K70-K146 PolarHBondContact O-N 3.48Å
71K94.8Very high93.2Very high65 Ų6558.2 Ų58.228%0.28332%0.323SS..EExtended strand (participates in β ladder)trans-156.2159.1-170.770.9177.9-164.8163.30112.5D68 E143 A144D68-K71 PolarHBondContact N-O 2.77Å; D68-K71 VanDerWaalsContact N-O 3.11Å; D68-K71 PolarHBondContact O-N 2.78Å; K71-E143 IonicContact NZ-OE2 2.95Å; K71-E143 PolarHBondContact NZ-OE2 2.75Å; K71-A144 WeakPolarHBondContact CA-O 3.44Å; K71-A144 WeakPolarHBondContact CB-O 3.13Å
72F96.8Very high94.5Very high4 Ų460.2 Ų60.22%0.01832%0.316CS..EExtended strand (participates in β ladder)trans-109.1131.5162.4177.8-90.9000107.9V65 I66 N67 D74 L95 Y119 L121 P122 I125 F130 E143 A144V65-F72 HydrophobicContact CG1-CE2 3.84Å; V65-F72 HydrophobicContact CG1-CZ 4.21Å; I66-F72 CarbonylContact O-C 3.56Å; I66-F72 WeakPolarHBondContact O-CA 3.46Å; N67-F72 HydrophobicContact CB-CD2 4.27Å; F72-D74 HydrophobicContact CE1-CB 4.35Å; F72-L95 HydrophobicContact CE1-CD2 3.82Å; F72-Y119 HydrophobicContact CZ-CG 4.44Å; F72-L121 HydrophobicContact CE1-CD2 4.39Å; F72-P122 HydrophobicContact CB-CG 3.99Å; F72-P122 HydrophobicContact CD2-CG 3.87Å; F72-P122 HydrophobicContact CG-CG 4.2Å; F72-I125 HydrophobicContact CB-CD1 3.83Å; F72-I125 HydrophobicContact CB-CG1 4.27Å; F72-F130 AromaticContact CD1-CE1 3.89Å; F72-F130 HydrophobicContact CD1-CE1 3.89Å; F72-F130 HydrophobicContact CD1-CZ 4.06Å; F72-F130 HydrophobicContact CE1-CE1 4.4Å; F72-E143 CarbonylContact O-C 3.56Å; F72-E143 VanDerWaalsContact O-CA 3.24Å; F72-E143 WeakPolarHBondContact O-CA 3.37Å; F72-A144 PolarHBondContact N-O 2.83Å; F72-A144 PolarHBondContact O-N 2.81Å
73Q98Very high95.3Very high30 Ų3061.6 Ų61.614%0.1433%0.327CS..EExtended strand (participates in β ladder)trans-140.2132.4174.8173.5-174.7-29.300109.4V65 I66 T75 T141 I142 E143V65-Q73 CarbonylContact C-O 3.58Å; V65-Q73 WeakPolarHBondContact CA-O 3.22Å; I66-Q73 HydrophobicContact CB-CB 4.26Å; I66-Q73 PolarHBondContact N-O 2.82Å; I66-Q73 PolarHBondContact O-N 2.82Å; Q73-T75 PolarHBondContact NE2-OG1 2.81Å; Q73-T141 HydrophobicContact CG-CG2 3.72Å; Q73-I142 CarbonylContact C-O 3.55Å; Q73-I142 VanDerWaalsContact CA-O 3.27Å; Q73-I142 WeakPolarHBondContact CA-O 3.4Å; Q73-E143 HydrophobicContact CB-CB 3.81Å; Q73-E143 HydrophobicContact CG-CB 3.99Å; Q73-E143 PolarHBondContact OE1-OE2 3.39Å
74D97.5Very high95.7Very high0 Ų067.2 Ų67.20%034%0.344CS..EExtended strand (participates in β ladder)trans-114.5137.4169-179.545.3000109.3V65 F72 L76 I97 Y119 T141 I142V65-D74 WeakPolarHBondContact CG2-OD1 3.26Å; F72-D74 HydrophobicContact CE1-CB 4.35Å; D74-L76 WeakPolarHBondContact OD2-CD1 3.21Å; D74-L76 VanDerWaalsContact OD2-CG 3.31Å; D74-L76 WeakPolarHBondContact OD2-CG 3.41Å; D74-I97 WeakPolarHBondContact OD2-CD1 3.38Å; D74-Y119 HydrophobicContact CB-CE2 4.26Å; D74-Y119 VanDerWaalsContact CG-CE2 3.46Å; D74-Y119 VanDerWaalsContact CG-OH 3.28Å; D74-Y119 PolarHBondContact OD1-OH 3.36Å; D74-Y119 WeakPolarHBondContact OD2-CE2 3.24Å; D74-T141 CarbonylContact O-C 3.6Å; D74-T141 WeakPolarHBondContact O-CA 3.32Å; D74-I142 PolarHBondContact N-O 3.15Å; D74-I142 PolarHBondContact O-N 3.05Å
75T97.8Very high95.8Very high20 Ų2065.7 Ų65.712%0.12333%0.33CS..EExtended strand (participates in β ladder)trans-127.2125.5175.4-63.30000108.8S63 S64 Q73 L139 L140 T141S63-T75 CarbonylContact C-O 3.54Å; S63-T75 VanDerWaalsContact CA-O 3.22Å; S63-T75 WeakPolarHBondContact CA-O 3.47Å; S64-T75 PolarHBondContact N-O 2.89Å; S64-T75 PolarHBondContact O-N 2.85Å; Q73-T75 PolarHBondContact NE2-OG1 2.81Å; T75-L139 HydrophobicContact CG2-CB 4.34Å; T75-L140 CarbonylContact C-O 3.5Å; T75-L140 VanDerWaalsContact CA-O 3.23Å; T75-L140 WeakPolarHBondContact CA-O 3.03Å; T75-T141 PolarHBondContact OG1-OG1 3.33Å
76L97.2Very high95.9Very high7 Ų764.2 Ų64.24%0.03732%0.32CS..EExtended strand (participates in β ladder)trans-130.6134.7-175.4-59.8-177.9000111.8D74 V78 I97 R117 L139 L140D74-L76 WeakPolarHBondContact OD2-CD1 3.21Å; D74-L76 VanDerWaalsContact OD2-CG 3.31Å; D74-L76 WeakPolarHBondContact OD2-CG 3.41Å; L76-V78 HydrophobicContact CB-CG1 4.21Å; L76-V78 PolarHBondContact O-N 2.7Å; L76-I97 HydrophobicContact CD1-CB 4.44Å; L76-I97 HydrophobicContact CD1-CD1 3.5Å; L76-I97 HydrophobicContact CD1-CG2 4.15Å; L76-R117 VanDerWaalsContact CD2-CZ 3.41Å; L76-L139 CarbonylContact O-C 3.58Å; L76-L139 WeakPolarHBondContact O-CA 3.42Å; L76-L140 PolarHBondContact N-O 2.74Å; L76-L140 PolarHBondContact O-N 3.18Å
77D96.7Very high96Very high65 Ų6566.9 Ų66.935%0.34833%0.332SS..EExtended strand (participates in β ladder)trans-70.8113.3163.7-166.2-16.8000110.9V62 T79 L139V62-D77 HydrophobicContact CG1-CB 3.74Å; V62-D77 PolarHBondContact O-N 3.29Å; D77-T79 VanDerWaalsContact OD1-CB 3.26Å; D77-T79 WeakPolarHBondContact OD1-CB 3.24Å; D77-T79 PolarHBondContact OD1-N 3Å; D77-T79 PolarHBondContact OD1-OG1 3.29Å; D77-L139 HydrophobicContact CB-CD2 4.01Å
78V96.7Very high96.1Very high4 Ų465.8 Ų65.82%0.02433%0.325CS..  trans-123.927.3176.4-620000111L76 H80 F81 L86 F115 L134 G138 L140L76-V78 HydrophobicContact CB-CG1 4.21Å; L76-V78 PolarHBondContact O-N 2.7Å; V78-H80 PolarHBondContact O-N 3.37Å; V78-F81 HydrophobicContact CB-CD2 4.33Å; V78-F81 PolarHBondContact O-N 3.47Å; V78-L86 HydrophobicContact CB-CD1 4.11Å; V78-L86 HydrophobicContact CB-CD2 4.28Å; V78-L86 HydrophobicContact CG1-CD1 4.49Å; V78-L86 HydrophobicContact CG1-CD2 4.19Å; V78-L86 HydrophobicContact CG2-CD1 3.76Å; V78-F115 HydrophobicContact CG1-CE1 4.27Å; V78-F115 HydrophobicContact CG1-CZ 3.95Å; V78-L134 HydrophobicContact CG2-CD1 3.65Å; V78-L134 HydrophobicContact CG2-CD2 4.37Å; V78-G138 VanDerWaalsContact CG2-O 3.24Å; V78-G138 WeakPolarHBondContact CG2-O 3.39Å; V78-G138 PolarHBondContact N-O 3.49Å; V78-L140 HydrophobicContact CG1-CB 4.26Å; V78-L140 HydrophobicContact CG1-CD2 4.38Å; V78-L140 HydrophobicContact CG2-CB 3.64Å
79T95.2Very high96.4Very high81 Ų8163.6 Ų63.650%0.49732%0.316SS..THydrogen-bonded Turntrans-54.8-26.4-175.7-57.60000113.8D77 F81D77-T79 VanDerWaalsContact OD1-CB 3.26Å; D77-T79 WeakPolarHBondContact OD1-CB 3.24Å; D77-T79 PolarHBondContact OD1-N 3Å; D77-T79 PolarHBondContact OD1-OG1 3.29Å; T79-F81 VanDerWaalsContact C-N 3.32Å; T79-F81 PolarHBondContact O-N 2.8Å
80H93.6Very high96.7Very high115 Ų11562.1 Ų62.153%0.53231%0.31SS..THydrogen-bonded Turntrans-85.53178.9-57.2-54.4000114.8V78V78-H80 PolarHBondContact O-N 3.37Å
81F96.1Very high96.7Very high31 Ų3160.4 Ų60.414%0.13630%0.302CS..SBendtrans-122.5141.8-177-62.3-90.9000110.9V78 T79 E85 L86 H101 R113 F115V78-F81 HydrophobicContact CB-CD2 4.33Å; V78-F81 PolarHBondContact O-N 3.47Å; T79-F81 VanDerWaalsContact C-N 3.32Å; T79-F81 PolarHBondContact O-N 2.8Å; F81-E85 HydrophobicContact CB-CB 4.48Å; F81-E85 HydrophobicContact CD1-CB 4.49Å; F81-L86 HydrophobicContact CB-CD1 4.49Å; F81-L86 HydrophobicContact CB-CD2 3.8Å; F81-L86 HydrophobicContact CB-CG 4.1Å; F81-L86 HydrophobicContact CG-CD2 4.08Å; F81-H101 HydrophobicContact CD1-CB 4.01Å; F81-H101 HydrophobicContact CE1-CB 3.99Å; F81-R113 HydrophobicContact CE1-CB 3.85Å; F81-R113 HydrophobicContact CZ-CB 3.62Å; F81-F115 HydrophobicContact CD1-CE1 4.5Å; F81-F115 HydrophobicContact CD2-CD1 4.31Å; F81-F115 HydrophobicContact CD2-CE1 4.01Å; F81-F115 AromaticContact CE1-CD1 3.99Å; F81-F115 HydrophobicContact CE1-CD1 3.99Å; F81-F115 HydrophobicContact CE1-CE1 4.31Å; F81-F115 AromaticContact CE2-CD1 3.64Å; F81-F115 HydrophobicContact CE2-CD1 3.64Å; F81-F115 AromaticContact CE2-CE1 3.8Å; F81-F115 HydrophobicContact CE2-CE1 3.8Å; F81-F115 HydrophobicContact CG-CE1 4.36Å; F81-F115 AromaticContact CZ-CD1 3.47Å; F81-F115 HydrophobicContact CZ-CD1 3.47Å; F81-F115 VanDerWaalsContact CZ-CD1 3.47Å; F81-F115 AromaticContact CZ-CE1 3.98Å; F81-F115 HydrophobicContact CZ-CE1 3.98Å
82K95.6Very high96.5Very high94 Ų9463.5 Ų63.541%0.40932%0.322SS..  trans-77.2154.6169.7-57.8-176-162.8100.40109.8K84 E85K82-K84 HydrophobicContact CB-CG 4.12Å; K82-K84 PolarHBondContact O-N 2.82Å; K82-K84 VanDerWaalsContact O-N 3.09Å; K82-E85 HydrophobicContact CB-CB 4.46Å; K82-E85 HydrophobicContact CB-CG 4.04Å; K82-E85 WeakPolarHBondContact CD-OE1 3.2Å; K82-E85 WeakPolarHBondContact CG-OE1 3.36Å; K82-E85 PolarHBondContact N-OE2 2.82Å; K82-E85 IonicContact NZ-OE1 2.78Å; K82-E85 PolarHBondContact NZ-OE1 2.81Å; K82-E85 WeakPolarHBondContact O-CA 3.34Å; K82-E85 WeakPolarHBondContact O-CB 3.49Å; K82-E85 PolarHBondContact O-N 2.8Å
83P97.6Very high96.2Very high100 Ų10069.4 Ų69.465%0.64935%0.354SS*.G310 helixtrans-54.5-34.2176.7-26.633.3000114.2E85 L86 L134P83-E85 VanDerWaalsContact C-N 3.27Å; P83-E85 PolarHBondContact O-N 2.96Å; P83-L86 PolarHBondContact O-N 3.31Å; P83-L134 HydrophobicContact CB-CD2 4.18Å; P83-L134 HydrophobicContact CG-CD2 3.93Å
84K97.7Very high96.1Very high176 Ų17668.4 Ų68.477%0.76535%0.352SS*.G310 helixtrans-74.3-13.3177.167.3171.1-173.7166.80114.6K82 L86K82-K84 HydrophobicContact CB-CG 4.12Å; K82-K84 PolarHBondContact O-N 2.82Å; K82-K84 VanDerWaalsContact O-N 3.09Å; K84-L86 VanDerWaalsContact C-N 3.32Å
85E97.9Very high96.1Very high27 Ų2768.5 Ų68.513%0.12635%0.352CS..G310 helixtrans-920.5179.1-68.8166.6-169.500110.8F81 K82 P83 G99 E100 H101F81-E85 HydrophobicContact CB-CB 4.48Å; F81-E85 HydrophobicContact CD1-CB 4.49Å; K82-E85 HydrophobicContact CB-CB 4.46Å; K82-E85 HydrophobicContact CB-CG 4.04Å; K82-E85 WeakPolarHBondContact CD-OE1 3.2Å; K82-E85 WeakPolarHBondContact CG-OE1 3.36Å; K82-E85 PolarHBondContact N-OE2 2.82Å; K82-E85 IonicContact NZ-OE1 2.78Å; K82-E85 PolarHBondContact NZ-OE1 2.81Å; K82-E85 WeakPolarHBondContact O-CA 3.34Å; K82-E85 WeakPolarHBondContact O-CB 3.49Å; K82-E85 PolarHBondContact O-N 2.8Å; P83-E85 VanDerWaalsContact C-N 3.27Å; P83-E85 PolarHBondContact O-N 2.96Å; E85-G99 CarbonylContact O-C 3.49Å; E85-G99 VanDerWaalsContact O-CA 3.24Å; E85-G99 WeakPolarHBondContact O-CA 3.38Å; E85-E100 VanDerWaalsContact CB-O 3.24Å; E85-E100 WeakPolarHBondContact CB-O 3.41Å; E85-E100 WeakPolarHBondContact CG-O 3.42Å; E85-E100 PolarHBondContact O-N 2.84Å; E85-H101 IonicContact OE1-CE1 2.81Å; E85-H101 IonicContact OE1-ND1 3.63Å; E85-H101 PolarHBondContact OE1-ND1 2.95Å; E85-H101 IonicContact OE2-CG 3.34Å; E85-H101 IonicContact OE2-ND1 3.96Å; E85-H101 PolarHBondContact OE2-ND1 3.38Å
86L98.4Very high96.1Very high30 Ų3068.7 Ų68.716%0.15735%0.352CS..EExtended strand (participates in β ladder)trans-113.1136.4-177.1-61.7170.7000110.9V78 F81 P83 K84 H98 F115 L134 L140V78-L86 HydrophobicContact CB-CD1 4.11Å; V78-L86 HydrophobicContact CB-CD2 4.28Å; V78-L86 HydrophobicContact CG1-CD1 4.49Å; V78-L86 HydrophobicContact CG1-CD2 4.19Å; V78-L86 HydrophobicContact CG2-CD1 3.76Å; F81-L86 HydrophobicContact CB-CD1 4.49Å; F81-L86 HydrophobicContact CB-CD2 3.8Å; F81-L86 HydrophobicContact CB-CG 4.1Å; F81-L86 HydrophobicContact CG-CD2 4.08Å; P83-L86 PolarHBondContact O-N 3.31Å; K84-L86 VanDerWaalsContact C-N 3.32Å; L86-H98 CarbonylContact C-O 3.53Å; L86-H98 WeakPolarHBondContact CA-O 3.27Å; L86-F115 HydrophobicContact CD2-CE1 3.76Å; L86-F115 HydrophobicContact CD2-CZ 3.98Å; L86-L134 HydrophobicContact CD1-CD2 3.84Å; L86-L140 HydrophobicContact CD1-CD2 4.48Å
87E98.5Very high96.1Very high110 Ų11068.4 Ų68.451%0.51435%0.35SS..EExtended strand (participates in β ladder)trans-129.5132.2176.4-175.2-176.1178.400109.7T89 I97 H98E87-T89 HydrophobicContact CG-CG2 4Å; E87-T89 WeakPolarHBondContact OE1-CG2 3.5Å; E87-I97 CarbonylContact O-C 3.54Å; E87-I97 WeakPolarHBondContact O-CA 3.44Å; E87-H98 HydrophobicContact CB-CB 4.33Å; E87-H98 PolarHBondContact N-O 2.81Å; E87-H98 PolarHBondContact O-N 3Å
88I98.1Very high96.2Very high62 Ų6266.9 Ų66.932%0.31834%0.341SS..EExtended strand (participates in β ladder)trans-121119.8177.6-57.3162000107.7L95 I96 I97 L140 I142I88-L95 HydrophobicContact CG2-CD1 3.62Å; I88-I96 WeakPolarHBondContact CA-O 3.42Å; I88-I97 HydrophobicContact CG1-CG2 4.4Å; I88-L140 HydrophobicContact CD1-CD1 4.31Å; I88-L140 HydrophobicContact CD1-CD2 4.23Å; I88-I142 HydrophobicContact CD1-CD1 3.58Å; I88-I142 HydrophobicContact CD1-CG1 3.8Å; I88-I142 HydrophobicContact CG1-CD1 3.88Å; I88-I142 HydrophobicContact CG2-CD1 4.04Å
89T97.8Very high96.2Very high51 Ų5166.7 Ų66.731%0.31334%0.34SS..EExtended strand (participates in β ladder)trans-126.2151.7179.757.10000111.1E87 I96E87-T89 HydrophobicContact CG-CG2 4Å; E87-T89 WeakPolarHBondContact OE1-CG2 3.5Å; T89-I96 PolarHBondContact N-O 3.26Å; T89-I96 PolarHBondContact O-N 3.16Å
90T95.8Very high96.4Very high59 Ų5967.1 Ų67.136%0.36234%0.336SS..EExtended strand (participates in β ladder)trans-117.7128.5169.852.30000109G94 L95 L121 P127 F130T90-G94 CarbonylContact C-O 3.54Å; T90-G94 WeakPolarHBondContact CA-O 3.38Å; T90-L95 HydrophobicContact CG2-CD1 3.96Å; T90-L121 HydrophobicContact CG2-CD1 4.39Å; T90-P127 HydrophobicContact CG2-CB 4.26Å; T90-P127 WeakPolarHBondContact OG1-CB 3.36Å; T90-F130 HydrophobicContact CG2-CD2 3.95Å; T90-F130 HydrophobicContact CG2-CE2 4.08Å
91K93.1Very high96.5Very high138 Ų13862.4 Ų62.460%0.632%0.315SS*.EExtended strand (participates in β ladder)trans-153.3136.5-177.4-174.3178.6178.7-177.60110.1D93 G94 I96K91-D93 PolarHBondContact O-N 3.16Å; K91-G94 PolarHBondContact N-O 3.24Å; K91-G94 WeakPolarHBondContact O-CA 3.19Å; K91-G94 PolarHBondContact O-N 2.83Å; K91-I96 HydrophobicContact CB-CD1 4.35Å
92N91.3Very high96.5Very high129 Ų12967.7 Ų67.769%0.6934%0.34SS*.THydrogen-bonded Turntrans49.451.4174.7-60-12.9000113.6G94N92-G94 PolarHBondContact O-N 2.97Å; N92-G94 VanDerWaalsContact O-N 3.15Å
93D90.8Very high96.4Very high129 Ų12969.2 Ų69.269%0.6935%0.348SS*.THydrogen-bonded Turntrans58.123.4-175.1-55.6-51.3000114.2K91 L121K91-D93 PolarHBondContact O-N 3.16Å; D93-L121 VanDerWaalsContact O-CB 3.26Å; D93-L121 WeakPolarHBondContact O-CB 3.17Å; D93-L121 PolarHBondContact O-N 3.16Å
94G94.6Very high96.1Very high9 Ų967.6 Ų67.69%0.09333%0.334CS..EExtended strand (participates in β ladder)trans-117.8148.8176.100000112.9T90 K91 N92 Y119T90-G94 CarbonylContact C-O 3.54Å; T90-G94 WeakPolarHBondContact CA-O 3.38Å; K91-G94 PolarHBondContact N-O 3.24Å; K91-G94 WeakPolarHBondContact O-CA 3.19Å; K91-G94 PolarHBondContact O-N 2.83Å; N92-G94 PolarHBondContact O-N 2.97Å; N92-G94 VanDerWaalsContact O-N 3.15Å; G94-Y119 CarbonylContact C-O 3.48Å; G94-Y119 WeakPolarHBondContact CA-O 3.26Å
95L97.1Very high95.9Very high1 Ų166.8 Ų66.81%0.00533%0.331CS..EExtended strand (participates in β ladder)trans-100.9126.8163.8175.367.6000108F72 I88 T90 I97 A118 Y119 L121 F130 I142F72-L95 HydrophobicContact CE1-CD2 3.82Å; I88-L95 HydrophobicContact CG2-CD1 3.62Å; T90-L95 HydrophobicContact CG2-CD1 3.96Å; L95-I97 HydrophobicContact CD2-CD1 4.34Å; L95-I97 HydrophobicContact CG-CG1 4.36Å; L95-A118 CarbonylContact O-C 3.6Å; L95-A118 WeakPolarHBondContact O-CA 3.45Å; L95-Y119 HydrophobicContact CD2-CD2 4.45Å; L95-Y119 PolarHBondContact N-O 3.4Å; L95-Y119 PolarHBondContact O-N 3.13Å; L95-L121 HydrophobicContact CB-CD2 3.73Å; L95-L121 HydrophobicContact CB-CG 4.32Å; L95-F130 HydrophobicContact CD2-CE1 4.47Å; L95-I142 HydrophobicContact CD1-CG2 4.29Å; L95-I142 HydrophobicContact CD2-CG2 3.99Å
96I97.8Very high95.4Very high25 Ų2568.7 Ų68.713%0.12834%0.342CS..EExtended strand (participates in β ladder)trans-123.9129.5-179.1-54.6166.7000107.9I88 T89 K91 T116 R117 A118I88-I96 WeakPolarHBondContact CA-O 3.42Å; T89-I96 PolarHBondContact N-O 3.26Å; T89-I96 PolarHBondContact O-N 3.16Å; K91-I96 HydrophobicContact CB-CD1 4.35Å; I96-T116 HydrophobicContact CG2-CG2 3.9Å; I96-R117 CarbonylContact C-O 3.48Å; I96-R117 WeakPolarHBondContact CA-O 3.26Å; I96-A118 HydrophobicContact CG1-CB 4.07Å
97I98Very high95.1Very high0 Ų074.8 Ų74.80%037%0.374CS..EExtended strand (participates in β ladder)trans-121.7114.8-179.4-54.8157.6000105.9D74 L76 E87 I88 L95 F115 T116 R117 Y119 L140 I142D74-I97 WeakPolarHBondContact OD2-CD1 3.38Å; L76-I97 HydrophobicContact CD1-CB 4.44Å; L76-I97 HydrophobicContact CD1-CD1 3.5Å; L76-I97 HydrophobicContact CD1-CG2 4.15Å; E87-I97 CarbonylContact O-C 3.54Å; E87-I97 WeakPolarHBondContact O-CA 3.44Å; I88-I97 HydrophobicContact CG1-CG2 4.4Å; L95-I97 HydrophobicContact CD2-CD1 4.34Å; L95-I97 HydrophobicContact CG-CG1 4.36Å; I97-F115 HydrophobicContact CB-CE2 4.43Å; I97-F115 HydrophobicContact CG2-CE2 3.86Å; I97-F115 HydrophobicContact CG2-CZ 3.93Å; I97-T116 CarbonylContact O-C 3.5Å; I97-T116 WeakPolarHBondContact O-CA 3.23Å; I97-R117 PolarHBondContact N-O 3Å; I97-R117 PolarHBondContact O-N 2.6Å; I97-Y119 HydrophobicContact CD1-CE2 4.23Å; I97-L140 HydrophobicContact CG2-CD2 4.24Å; I97-I142 HydrophobicContact CD1-CD1 3.39Å; I97-I142 HydrophobicContact CG1-CD1 3.57Å
98H98.3Very high94.8Very high33 Ų3378.4 Ų78.415%0.15339%0.391CS..EExtended strand (participates in β ladder)trans-111.1140.8178.9-177.7-100.6000108.9L86 E87 E100 F115 T116L86-H98 CarbonylContact C-O 3.53Å; L86-H98 WeakPolarHBondContact CA-O 3.27Å; E87-H98 HydrophobicContact CB-CB 4.33Å; E87-H98 PolarHBondContact N-O 2.81Å; E87-H98 PolarHBondContact O-N 3Å; H98-E100 IonicContact CE1-OE2 3.76Å; H98-F115 WeakPolarHBondContact CA-O 3.33Å; H98-F115 PolarHBondContact CD2-O 2.96Å; H98-T116 PolarHBondContact CD2-OG1 3.32Å
99G97.9Very high94.7Very high0 Ų077 Ų770%039%0.391CS..EExtended strand (participates in β ladder)trans-139.4131.5171.700000110.6E85 V114 F115E85-G99 CarbonylContact O-C 3.49Å; E85-G99 VanDerWaalsContact O-CA 3.24Å; E85-G99 WeakPolarHBondContact O-CA 3.38Å; G99-V114 CarbonylContact O-C 3.6Å; G99-V114 VanDerWaalsContact O-CA 3.26Å; G99-V114 WeakPolarHBondContact O-CA 3.46Å; G99-F115 PolarHBondContact N-O 2.84Å; G99-F115 PolarHBondContact O-N 2.99Å
100E98.2Very high94.5Very high90 Ų9081.1 Ų81.142%0.42140%0.402SS..EExtended strand (participates in β ladder)trans-136.2110.5-178178165.1-159.900110.4E85 H98 V114E85-E100 VanDerWaalsContact CB-O 3.24Å; E85-E100 WeakPolarHBondContact CB-O 3.41Å; E85-E100 WeakPolarHBondContact CG-O 3.42Å; E85-E100 PolarHBondContact O-N 2.84Å; H98-E100 IonicContact CE1-OE2 3.76Å; E100-V114 HydrophobicContact CG-CG2 4.12Å
101H97.2Very high94.5Very high17 Ų1780.3 Ų80.38%0.07940%0.395CS..EExtended strand (participates in β ladder)trans-101.1107.4169.8-176.884.3000108F81 E85 N104 M112 R113F81-H101 HydrophobicContact CD1-CB 4.01Å; F81-H101 HydrophobicContact CE1-CB 3.99Å; E85-H101 IonicContact OE1-CE1 2.81Å; E85-H101 IonicContact OE1-ND1 3.63Å; E85-H101 PolarHBondContact OE1-ND1 2.95Å; E85-H101 IonicContact OE2-CG 3.34Å; E85-H101 IonicContact OE2-ND1 3.96Å; E85-H101 PolarHBondContact OE2-ND1 3.38Å; H101-N104 PolarHBondContact CE1-ND2 2.85Å; H101-N104 VanDerWaalsContact CE1-ND2 3.33Å; H101-N104 PolarHBondContact NE2-ND2 3.35Å; H101-N104 VanDerWaalsContact NE2-ND2 3.18Å; H101-M112 WeakPolarHBondContact O-CA 3.22Å; H101-M112 WeakPolarHBondContact O-CG 3.14Å; H101-R113 HydrophobicContact CB-CB 4.1Å; H101-R113 PolarHBondContact N-O 2.98Å; H101-R113 PolarHBondContact O-N 2.77Å
102E94.5Very high94.6Very high141 Ų14178.8 Ų78.866%0.65939%0.392SS*.EExtended strand (participates in β ladder)trans-56.7159.3173.5-65.4-179.1170.400111.6N104E102-N104 PolarHBondContact O-N 2.89Å; E102-N104 VanDerWaalsContact O-N 3.15Å; E102-N104 PolarHBondContact O-ND2 2.82Å
103E94.6Very high94.8Very high126 Ų12676.3 Ų76.359%0.58937%0.373SS*.EExtended strand (participates in β ladder)trans-58.4118.7178-170.8-178.375.900111.4Y110 I111 M112E103-Y110 HydrophobicContact CG-CD1 3.96Å; E103-Y110 HydrophobicContact CG-CG 4.22Å; E103-I111 CarbonylContact C-O 3.52Å; E103-I111 VanDerWaalsContact CA-O 3.32Å; E103-I111 WeakPolarHBondContact CA-O 3.19Å; E103-M112 HydrophobicContact CB-CB 4.25Å
104N91Very high95.1Very high66 Ų6674 Ų7435%0.35336%0.363SS..EExtended strand (participates in β ladder)trans-127.5146.8175.7-73.3-72.2000110.4H101 E102 Y110 I111H101-N104 PolarHBondContact CE1-ND2 2.85Å; H101-N104 VanDerWaalsContact CE1-ND2 3.33Å; H101-N104 PolarHBondContact NE2-ND2 3.35Å; H101-N104 VanDerWaalsContact NE2-ND2 3.18Å; E102-N104 PolarHBondContact O-N 2.89Å; E102-N104 VanDerWaalsContact O-N 3.15Å; E102-N104 PolarHBondContact O-ND2 2.82Å; N104-Y110 CarbonylContact O-C 3.56Å; N104-Y110 WeakPolarHBondContact O-CA 3.4Å; N104-I111 PolarHBondContact N-O 2.79Å; N104-I111 PolarHBondContact O-N 2.92Å
105K92.7Very high95.2Very high160 Ų16075.8 Ų75.870%0.69637%0.368SS*.EExtended strand (participates in β ladder)trans-68135.7172.5-71.8-178.9176.2-178.50110.4G109 Y110K105-G109 CarbonylContact C-O 3.49Å; K105-G109 VanDerWaalsContact CA-O 3.28Å; K105-G109 WeakPolarHBondContact CA-O 3.33Å; K105-Y110 HydrophobicContact CD-CE1 4.02Å; K105-Y110 VanDerWaalsContact CE-CZ 3.41Å; K105-Y110 WeakPolarHBondContact CE-OH 3.31Å; K105-Y110 HydrophobicContact CG-CD1 3.61Å; K105-Y110 HydrophobicContact CG-CE1 3.32Å; K105-Y110 HydrophobicContact CG-CG 4.44Å
106D87.7Confident95.2Very high67 Ų6779.1 Ų79.136%0.35839%0.389SS..EExtended strand (participates in β ladder)trans-120.9-175.4168.470.513.7000110.6H108 G109 I111D106-H108 PolarHBondContact O-N 3.43Å; D106-H108 VanDerWaalsContact O-N 3.12Å; D106-H108 PolarHBondContact OD1-N 3.44Å; D106-G109 PolarHBondContact N-O 3.14Å; D106-G109 PolarHBondContact OD1-N 2.72Å; D106-I111 HydrophobicContact CB-CG2 4.35Å
107D92.6Very high95.1Very high158 Ų15881.6 Ų81.685%0.84540%0.396SS*.THydrogen-bonded Turntrans-63.2-16.6-177.2-66.4-23.9000113.5
108H92.5Very high95Very high185 Ų18583.1 Ų83.186%0.85641%0.409SS*.THydrogen-bonded Turntrans-122.2-4.3-172.4-60.9-62.5000113.9D106D106-H108 PolarHBondContact O-N 3.43Å; D106-H108 VanDerWaalsContact O-N 3.12Å; D106-H108 PolarHBondContact OD1-N 3.44Å
109G94.6Very high94.8Very high32 Ų3283.5 Ų83.533%0.3341%0.41SS..EExtended strand (participates in β ladder)trans156.4-128-178.400000112.6K105 D106K105-G109 CarbonylContact C-O 3.49Å; K105-G109 VanDerWaalsContact CA-O 3.28Å; K105-G109 WeakPolarHBondContact CA-O 3.33Å; D106-G109 PolarHBondContact N-O 3.14Å; D106-G109 PolarHBondContact OD1-N 2.72Å
110Y94.7Very high94.7Very high138 Ų13892.6 Ų92.654%0.54144%0.444SS..EExtended strand (participates in β ladder)trans-124144.6178.8-63.4-95.5000109.4E103 N104 K105E103-Y110 HydrophobicContact CG-CD1 3.96Å; E103-Y110 HydrophobicContact CG-CG 4.22Å; N104-Y110 CarbonylContact O-C 3.56Å; N104-Y110 WeakPolarHBondContact O-CA 3.4Å; K105-Y110 HydrophobicContact CD-CE1 4.02Å; K105-Y110 VanDerWaalsContact CE-CZ 3.41Å; K105-Y110 WeakPolarHBondContact CE-OH 3.31Å; K105-Y110 HydrophobicContact CG-CD1 3.61Å; K105-Y110 HydrophobicContact CG-CE1 3.32Å; K105-Y110 HydrophobicContact CG-CG 4.44Å
111I94.8Very high94.6Very high43 Ų4389.5 Ų89.522%0.22143%0.43CS..EExtended strand (participates in β ladder)trans-132.9130.2-179.6-160.1152000111.7E103 N104 D106 R113E103-I111 CarbonylContact C-O 3.52Å; E103-I111 VanDerWaalsContact CA-O 3.32Å; E103-I111 WeakPolarHBondContact CA-O 3.19Å; N104-I111 PolarHBondContact N-O 2.79Å; N104-I111 PolarHBondContact O-N 2.92Å; D106-I111 HydrophobicContact CB-CG2 4.35Å; I111-R113 VanDerWaalsContact CD1-NH1 3.3Å
112M95.8Very high94.3Very high106 Ų10689.8 Ų89.852%0.52243%0.434SS..EExtended strand (participates in β ladder)trans-131.8142.4174.5-173.1-177179.500108H101 E103 V114H101-M112 WeakPolarHBondContact O-CA 3.22Å; H101-M112 WeakPolarHBondContact O-CG 3.14Å; E103-M112 HydrophobicContact CB-CB 4.25Å; M112-V114 HydrophobicContact CE-CG2 4Å
113R95.5Very high94.2Very high76 Ų7692.9 Ų92.929%0.28745%0.445SS..EExtended strand (participates in β ladder)trans-140.3137.4177.1-59.1-179.8174.785.4-5.2110.1F81 H101 I111F81-R113 HydrophobicContact CE1-CB 3.85Å; F81-R113 HydrophobicContact CZ-CB 3.62Å; H101-R113 HydrophobicContact CB-CB 4.1Å; H101-R113 PolarHBondContact N-O 2.98Å; H101-R113 PolarHBondContact O-N 2.77Å; I111-R113 VanDerWaalsContact CD1-NH1 3.3Å
114V97.3Very high94Very high80 Ų8088.4 Ų88.449%0.48543%0.432SS..EExtended strand (participates in β ladder)trans-136.4137.1171.6-173.90000108.5G99 E100 M112G99-V114 CarbonylContact O-C 3.6Å; G99-V114 VanDerWaalsContact O-CA 3.26Å; G99-V114 WeakPolarHBondContact O-CA 3.46Å; E100-V114 HydrophobicContact CG-CG2 4.12Å; M112-V114 HydrophobicContact CE-CG2 4Å
115F96.4Very high94.1Very high47 Ų4786.2 Ų86.221%0.20642%0.42CS..EExtended strand (participates in β ladder)trans-139.9154.1169.883.7-86.9000111.8V78 F81 L86 I97 H98 G99 R117V78-F115 HydrophobicContact CG1-CE1 4.27Å; V78-F115 HydrophobicContact CG1-CZ 3.95Å; F81-F115 HydrophobicContact CD1-CE1 4.5Å; F81-F115 HydrophobicContact CD2-CD1 4.31Å; F81-F115 HydrophobicContact CD2-CE1 4.01Å; F81-F115 AromaticContact CE1-CD1 3.99Å; F81-F115 HydrophobicContact CE1-CD1 3.99Å; F81-F115 HydrophobicContact CE1-CE1 4.31Å; F81-F115 AromaticContact CE2-CD1 3.64Å; F81-F115 HydrophobicContact CE2-CD1 3.64Å; F81-F115 AromaticContact CE2-CE1 3.8Å; F81-F115 HydrophobicContact CE2-CE1 3.8Å; F81-F115 HydrophobicContact CG-CE1 4.36Å; F81-F115 AromaticContact CZ-CD1 3.47Å; F81-F115 HydrophobicContact CZ-CD1 3.47Å; F81-F115 VanDerWaalsContact CZ-CD1 3.47Å; F81-F115 AromaticContact CZ-CE1 3.98Å; F81-F115 HydrophobicContact CZ-CE1 3.98Å; L86-F115 HydrophobicContact CD2-CE1 3.76Å; L86-F115 HydrophobicContact CD2-CZ 3.98Å; I97-F115 HydrophobicContact CB-CE2 4.43Å; I97-F115 HydrophobicContact CG2-CE2 3.86Å; I97-F115 HydrophobicContact CG2-CZ 3.93Å; H98-F115 WeakPolarHBondContact CA-O 3.33Å; H98-F115 PolarHBondContact CD2-O 2.96Å; G99-F115 PolarHBondContact N-O 2.84Å; G99-F115 PolarHBondContact O-N 2.99Å; F115-R117 HydrophobicContact CD2-CB 4.38Å; F115-R117 HydrophobicContact CE2-CB 4.37Å
116T96.4Very high94.1Very high71 Ų7182 Ų8244%0.43640%0.404SS..EExtended strand (participates in β ladder)trans-135.7125.7167-54.10000108.2F9 I96 I97 H98F9-T116 HydrophobicContact CZ-CG2 4.36Å; I96-T116 HydrophobicContact CG2-CG2 3.9Å; I97-T116 CarbonylContact O-C 3.5Å; I97-T116 WeakPolarHBondContact O-CA 3.23Å; H98-T116 PolarHBondContact CD2-OG1 3.32Å
117R95.7Very high94.3Very high77 Ų7781.7 Ų81.729%0.29141%0.407SS..EExtended strand (participates in β ladder)trans-122.1127.5172.7-168.1167.9-177.3162.9-13.9109.1S63 L76 I96 I97 F115 Y119S63-R117 PolarHBondContact OG-NH1 2.87Å; S63-R117 PolarHBondContact OG-NH2 3.5Å; L76-R117 VanDerWaalsContact CD2-CZ 3.41Å; I96-R117 CarbonylContact C-O 3.48Å; I96-R117 WeakPolarHBondContact CA-O 3.26Å; I97-R117 PolarHBondContact N-O 3Å; I97-R117 PolarHBondContact O-N 2.6Å; F115-R117 HydrophobicContact CD2-CB 4.38Å; F115-R117 HydrophobicContact CE2-CB 4.37Å; R117-Y119 HydrophobicContact CG-CE2 3.84Å; R117-Y119 PolarHBondContact NE-OH 2.95Å; R117-Y119 PolarHBondContact NH2-OH 2.91Å
118A96.1Very high94.3Very high32 Ų3282.8 Ų82.826%0.26441%0.407SS..EExtended strand (participates in β ladder)trans-129.6145.8-17800000111.6W12 L95 I96W12-A118 HydrophobicContact CH2-CB 3.69Å; W12-A118 HydrophobicContact CZ3-CB 3.85Å; L95-A118 CarbonylContact O-C 3.6Å; L95-A118 WeakPolarHBondContact O-CA 3.45Å; I96-A118 HydrophobicContact CG1-CB 4.07Å
119Y95.8Very high94.4Very high42 Ų4278 Ų7817%0.16539%0.387CS..EExtended strand (participates in β ladder)trans-135.7144.1-178.7-62.2-78.7000111V65 F72 D74 G94 L95 I97 R117V65-Y119 HydrophobicContact CG2-CE1 3.72Å; V65-Y119 WeakPolarHBondContact CG2-OH 3.44Å; F72-Y119 HydrophobicContact CZ-CG 4.44Å; D74-Y119 HydrophobicContact CB-CE2 4.26Å; D74-Y119 VanDerWaalsContact CG-CE2 3.46Å; D74-Y119 VanDerWaalsContact CG-OH 3.28Å; D74-Y119 PolarHBondContact OD1-OH 3.36Å; D74-Y119 WeakPolarHBondContact OD2-CE2 3.24Å; G94-Y119 CarbonylContact C-O 3.48Å; G94-Y119 WeakPolarHBondContact CA-O 3.26Å; L95-Y119 HydrophobicContact CD2-CD2 4.45Å; L95-Y119 PolarHBondContact N-O 3.4Å; L95-Y119 PolarHBondContact O-N 3.13Å; I97-Y119 HydrophobicContact CD1-CE2 4.23Å; R117-Y119 HydrophobicContact CG-CE2 3.84Å; R117-Y119 PolarHBondContact NE-OH 2.95Å; R117-Y119 PolarHBondContact NH2-OH 2.91Å
120W95.5Very high94.6Very high190 Ų19078.2 Ų78.272%0.7238%0.379SS*.EExtended strand (participates in β ladder)trans-73128.2163.8-67.1104.4000110
121L94.9Very high94.7Very high26 Ų2679 Ų7914%0.13639%0.385CS..PPolyproline II helixtrans-75.6133.9176.6-67.2179.1000110.1F72 T90 D93 L95 I125 F130F72-L121 HydrophobicContact CE1-CD2 4.39Å; T90-L121 HydrophobicContact CG2-CD1 4.39Å; D93-L121 VanDerWaalsContact O-CB 3.26Å; D93-L121 WeakPolarHBondContact O-CB 3.17Å; D93-L121 PolarHBondContact O-N 3.16Å; L95-L121 HydrophobicContact CB-CD2 3.73Å; L95-L121 HydrophobicContact CB-CG 4.32Å; L121-I125 HydrophobicContact CD1-CG2 4.44Å; L121-F130 HydrophobicContact CD1-CE2 3.96Å; L121-F130 HydrophobicContact CD1-CZ 4.45Å; L121-F130 HydrophobicContact CD2-CE2 3.86Å; L121-F130 HydrophobicContact CD2-CZ 3.49Å; L121-F130 VanDerWaalsContact CD2-CZ 3.49Å
122P92.1Very high94.9Very high23 Ų2380.8 Ų80.815%0.14940%0.402CS..PPolyproline II helixtrans-66.2155.6171.128.4-32.3000110.2N67 F72 I125N67-P122 WeakPolarHBondContact OD1-CG 3.24Å; F72-P122 HydrophobicContact CB-CG 3.99Å; F72-P122 HydrophobicContact CD2-CG 3.87Å; F72-P122 HydrophobicContact CG-CG 4.2Å; P122-I125 HydrophobicContact CG-CD1 4.5Å; P122-I125 HydrophobicContact CG-CG1 3.73Å; P122-I125 PolarHBondContact O-N 3.07Å
123K90.6Very high95Very high206 Ų20680.5 Ų80.590%0.89640%0.402SS*.THydrogen-bonded Turntrans-58.3148.5174.4-64-176.9-179.9-178.90111.1I125K123-I125 VanDerWaalsContact C-N 3.29Å
124G90.7Very high95.1Very high31 Ų3179.7 Ų79.732%0.3240%0.403SS..THydrogen-bonded Turntrans83.4-0.5178.300000114.3V147G124-V147 VanDerWaalsContact CA-O 3.29Å; G124-V147 WeakPolarHBondContact CA-O 3.13Å; G124-V147 WeakPolarHBondContact O-CB 3.28Å; G124-V147 PolarHBondContact O-N 2.94Å
125I93.3Very high95.1Very high20 Ų2077.9 Ų77.910%0.10339%0.393CS..BIsolated β-bridgetrans-80.7127.9168.9-63.6-64.4000109.1F72 L121 P122 K123 F130 A144 K146F72-I125 HydrophobicContact CB-CD1 3.83Å; F72-I125 HydrophobicContact CB-CG1 4.27Å; L121-I125 HydrophobicContact CD1-CG2 4.44Å; P122-I125 HydrophobicContact CG-CD1 4.5Å; P122-I125 HydrophobicContact CG-CG1 3.73Å; P122-I125 PolarHBondContact O-N 3.07Å; K123-I125 VanDerWaalsContact C-N 3.29Å; I125-F130 HydrophobicContact CG2-CD2 4.32Å; I125-F130 HydrophobicContact CG2-CE2 3.42Å; I125-F130 VanDerWaalsContact CG2-CE2 3.42Å; I125-F130 HydrophobicContact CG2-CZ 3.62Å; I125-A144 HydrophobicContact CD1-CB 4.05Å; I125-A144 HydrophobicContact CG2-CB 4.05Å; I125-K146 HydrophobicContact CD1-CB 4.37Å; I125-K146 HydrophobicContact CD1-CG 3.52Å; I125-K146 HydrophobicContact CG1-CG 4.2Å
126I92.3Very high95Very high71 Ų7182.5 Ų82.536%0.36443%0.428SS..  trans-94.7118.1169.2-59.6177000106.7E128 N129 V147I126-E128 HydrophobicContact CG2-CB 4.27Å; I126-E128 PolarHBondContact O-N 2.87Å; I126-E128 VanDerWaalsContact O-N 3.16Å; I126-N129 HydrophobicContact CB-CB 4.44Å; I126-N129 WeakPolarHBondContact O-CB 3.43Å; I126-N129 PolarHBondContact O-N 3.09Å; I126-V147 HydrophobicContact CD1-CG2 3.84Å; I126-V147 HydrophobicContact CG1-CG2 4.18Å
127P92.6Very high94.9Very high62 Ų6283.6 Ų83.640%0.40343%0.431SS..G310 helixtrans-56.2-34-174.8-28.235.4000114.4T90 N129 F130T90-P127 HydrophobicContact CG2-CB 4.26Å; T90-P127 WeakPolarHBondContact OG1-CB 3.36Å; P127-N129 PolarHBondContact O-N 3.05Å; P127-F130 WeakPolarHBondContact O-CD2 3.2Å; P127-F130 PolarHBondContact O-N 3.23Å
128E93.1Very high94.9Very high181 Ų18180.3 Ų80.385%0.84642%0.422SS*.G310 helixtrans-66.7-18178.8-61.6172.1-170.100113.5I126I126-E128 HydrophobicContact CG2-CB 4.27Å; I126-E128 PolarHBondContact O-N 2.87Å; I126-E128 VanDerWaalsContact O-N 3.16Å
129N94.8Very high95Very high83 Ų8381 Ų8144%0.44442%0.42SS..G310 helixtrans-89.5-0.2-178.6-72.7-13000113.7I126 P127I126-N129 HydrophobicContact CB-CB 4.44Å; I126-N129 WeakPolarHBondContact O-CB 3.43Å; I126-N129 PolarHBondContact O-N 3.09Å; P127-N129 PolarHBondContact O-N 3.05Å
130F97.6Very high95.1Very high37 Ų3779.3 Ų79.316%0.16241%0.414CS..  trans-62.6138.8174.4-86.8-71.2000111.5F72 T90 L95 L121 I125 P127 I142 E143 A144F72-F130 AromaticContact CD1-CE1 3.89Å; F72-F130 HydrophobicContact CD1-CE1 3.89Å; F72-F130 HydrophobicContact CD1-CZ 4.06Å; F72-F130 HydrophobicContact CE1-CE1 4.4Å; T90-F130 HydrophobicContact CG2-CD2 3.95Å; T90-F130 HydrophobicContact CG2-CE2 4.08Å; L95-F130 HydrophobicContact CD2-CE1 4.47Å; L121-F130 HydrophobicContact CD1-CE2 3.96Å; L121-F130 HydrophobicContact CD1-CZ 4.45Å; L121-F130 HydrophobicContact CD2-CE2 3.86Å; L121-F130 HydrophobicContact CD2-CZ 3.49Å; L121-F130 VanDerWaalsContact CD2-CZ 3.49Å; I125-F130 HydrophobicContact CG2-CD2 4.32Å; I125-F130 HydrophobicContact CG2-CE2 3.42Å; I125-F130 VanDerWaalsContact CG2-CE2 3.42Å; I125-F130 HydrophobicContact CG2-CZ 3.62Å; P127-F130 WeakPolarHBondContact O-CD2 3.2Å; P127-F130 PolarHBondContact O-N 3.23Å; F130-I142 HydrophobicContact CD1-CG2 3.66Å; F130-I142 HydrophobicContact CE1-CG2 4.11Å; F130-I142 HydrophobicContact CG-CG2 4.47Å; F130-E143 CarbonylContact C-O 3.51Å; F130-E143 WeakPolarHBondContact CA-O 3.38Å; F130-A144 HydrophobicContact CD1-CB 3.52Å; F130-A144 HydrophobicContact CD2-CB 4.21Å; F130-A144 HydrophobicContact CE1-CB 3.52Å; F130-A144 HydrophobicContact CE2-CB 4.21Å; F130-A144 HydrophobicContact CG-CB 3.86Å; F130-A144 HydrophobicContact CZ-CB 3.87Å
131K98.1Very high95.2Very high155 Ų15571.7 Ų71.767%0.67439%0.389SS*.EExtended strand (participates in β ladder)trans-124.9137.9170.2-63.4-177.8-177.9-179.70108.6I142 E143K131-I142 WeakPolarHBondContact O-CA 3.45Å; K131-E143 PolarHBondContact N-O 3.13Å; K131-E143 PolarHBondContact O-N 2.79Å
132S97.8Very high95.4Very high81 Ų8170.5 Ų70.557%0.56638%0.383SS*.EExtended strand (participates in β ladder)trans-113.8142.2174.157.50000110.7T141S132-T141 CarbonylContact C-O 3.59Å; S132-T141 VanDerWaalsContact CA-O 3.26Å; S132-T141 WeakPolarHBondContact CA-O 3.26Å
133N98.1Very high95.7Very high100 Ų10072.9 Ų72.954%0.53539%0.391SS..EExtended strand (participates in β ladder)trans-135.5129.2171.7-171.8-63.5000109P135 T141N133-P135 WeakPolarHBondContact OD1-CD 3.24Å; N133-P135 WeakPolarHBondContact OD1-CG 3.41Å; N133-T141 PolarHBondContact N-O 3.12Å; N133-T141 PolarHBondContact O-N 3.34Å
134L97.8Very high96Very high59 Ų5963.3 Ų63.331%0.30935%0.351SS..  trans-120.196.5174177.654000108.9V78 P83 L86 L140V78-L134 HydrophobicContact CG2-CD1 3.65Å; V78-L134 HydrophobicContact CG2-CD2 4.37Å; P83-L134 HydrophobicContact CB-CD2 4.18Å; P83-L134 HydrophobicContact CG-CD2 3.93Å; L86-L134 HydrophobicContact CD1-CD2 3.84Å; L134-L140 HydrophobicContact CB-CD1 4.13Å; L134-L140 HydrophobicContact CD1-CB 4.09Å
135P96.9Very high96.2Very high41 Ų4164.8 Ų64.827%0.26636%0.36SS..  trans-72.5166.9175.6-8.424000111.8N133 N137 G138 L139N133-P135 WeakPolarHBondContact OD1-CD 3.24Å; N133-P135 WeakPolarHBondContact OD1-CG 3.41Å; P135-N137 WeakPolarHBondContact CB-OD1 3.32Å; P135-N137 PolarHBondContact O-N 2.68Å; P135-G138 PolarHBondContact O-N 2.9Å; P135-G138 VanDerWaalsContact O-N 3.07Å; P135-L139 WeakPolarHBondContact CD-O 3.48Å
136P95.7Very high96.3Very high145 Ų14566 Ų6694%0.94236%0.364SS*.THydrogen-bonded Turntrans-61.6-16.3-179.7-24.234.4000115.4G138P136-G138 PolarHBondContact O-N 2.77Å
137N94.3Very high96.1Very high93 Ų9366.6 Ų66.650%0.49737%0.372SS..THydrogen-bonded Turntrans-77.81.1176.267.7-7.4000113.4P135 L139P135-N137 WeakPolarHBondContact CB-OD1 3.32Å; P135-N137 PolarHBondContact O-N 2.68Å; N137-L139 VanDerWaalsContact C-N 3.3Å; N137-L139 PolarHBondContact O-N 2.9Å; N137-L139 PolarHBondContact OD1-N 2.88Å; N137-L139 VanDerWaalsContact OD1-N 3.13Å
138G96Very high95.4Very high9 Ų966.5 Ų66.59%0.09338%0.381CS..SBendtrans78.27.9177.600000114.9V78 P135 P136 L140V78-G138 VanDerWaalsContact CG2-O 3.24Å; V78-G138 WeakPolarHBondContact CG2-O 3.39Å; V78-G138 PolarHBondContact N-O 3.49Å; P135-G138 PolarHBondContact O-N 2.9Å; P135-G138 VanDerWaalsContact O-N 3.07Å; P136-G138 PolarHBondContact O-N 2.77Å; G138-L140 PolarHBondContact O-N 3.33Å
139L96.7Very high94.2Very high46 Ų4669.5 Ų69.524%0.24139%0.385CS..EExtended strand (participates in β ladder)trans-9387.4-179.5-59.4-172.2000111.6V62 T75 L76 D77 P135 N137 T141V62-L139 HydrophobicContact CG1-CD1 4.4Å; V62-L139 HydrophobicContact CG1-CD2 3.28Å; V62-L139 HydrophobicContact CG1-CG 4.48Å; T75-L139 HydrophobicContact CG2-CB 4.34Å; L76-L139 CarbonylContact O-C 3.58Å; L76-L139 WeakPolarHBondContact O-CA 3.42Å; D77-L139 HydrophobicContact CB-CD2 4.01Å; P135-L139 WeakPolarHBondContact CD-O 3.48Å; N137-L139 VanDerWaalsContact C-N 3.3Å; N137-L139 PolarHBondContact O-N 2.9Å; N137-L139 PolarHBondContact OD1-N 2.88Å; N137-L139 VanDerWaalsContact OD1-N 3.13Å; L139-T141 PolarHBondContact O-N 2.78Å
140L98.3Very high92.7Very high7 Ų768.8 Ų68.84%0.03739%0.385CS..EExtended strand (participates in β ladder)trans-60.7125.7174.917663.1000110T75 L76 V78 L86 I88 I97 L134 G138 I142T75-L140 CarbonylContact C-O 3.5Å; T75-L140 VanDerWaalsContact CA-O 3.23Å; T75-L140 WeakPolarHBondContact CA-O 3.03Å; L76-L140 PolarHBondContact N-O 2.74Å; L76-L140 PolarHBondContact O-N 3.18Å; V78-L140 HydrophobicContact CG1-CB 4.26Å; V78-L140 HydrophobicContact CG1-CD2 4.38Å; V78-L140 HydrophobicContact CG2-CB 3.64Å; L86-L140 HydrophobicContact CD1-CD2 4.48Å; I88-L140 HydrophobicContact CD1-CD1 4.31Å; I88-L140 HydrophobicContact CD1-CD2 4.23Å; I97-L140 HydrophobicContact CG2-CD2 4.24Å; L134-L140 HydrophobicContact CB-CD1 4.13Å; L134-L140 HydrophobicContact CD1-CB 4.09Å; G138-L140 PolarHBondContact O-N 3.33Å; L140-I142 HydrophobicContact CD1-CG1 4.33Å; L140-I142 HydrophobicContact CD2-CD1 4.06Å; L140-I142 HydrophobicContact CD2-CG1 4.39Å; L140-I142 HydrophobicContact CG-CD1 4.3Å; L140-I142 HydrophobicContact CG-CG1 4.11Å
141T98.2Very high91.1Very high29 Ų2975.2 Ų75.218%0.17842%0.415CS..EExtended strand (participates in β ladder)trans-116.9130.9173.2-590000109.8Q73 D74 T75 S132 N133 L139Q73-T141 HydrophobicContact CG-CG2 3.72Å; D74-T141 CarbonylContact O-C 3.6Å; D74-T141 WeakPolarHBondContact O-CA 3.32Å; T75-T141 PolarHBondContact OG1-OG1 3.33Å; S132-T141 CarbonylContact C-O 3.59Å; S132-T141 VanDerWaalsContact CA-O 3.26Å; S132-T141 WeakPolarHBondContact CA-O 3.26Å; N133-T141 PolarHBondContact N-O 3.12Å; N133-T141 PolarHBondContact O-N 3.34Å; L139-T141 PolarHBondContact O-N 2.78Å
142I98.5Very high89.7Confident2 Ų272.3 Ų72.31%0.0141%0.414CS..EExtended strand (participates in β ladder)trans-125.5120.5178.5-56.8165.2000107.4Q73 D74 I88 L95 I97 F130 K131 L140Q73-I142 CarbonylContact C-O 3.55Å; Q73-I142 VanDerWaalsContact CA-O 3.27Å; Q73-I142 WeakPolarHBondContact CA-O 3.4Å; D74-I142 PolarHBondContact N-O 3.15Å; D74-I142 PolarHBondContact O-N 3.05Å; I88-I142 HydrophobicContact CD1-CD1 3.58Å; I88-I142 HydrophobicContact CD1-CG1 3.8Å; I88-I142 HydrophobicContact CG1-CD1 3.88Å; I88-I142 HydrophobicContact CG2-CD1 4.04Å; L95-I142 HydrophobicContact CD1-CG2 4.29Å; L95-I142 HydrophobicContact CD2-CG2 3.99Å; I97-I142 HydrophobicContact CD1-CD1 3.39Å; I97-I142 HydrophobicContact CG1-CD1 3.57Å; F130-I142 HydrophobicContact CD1-CG2 3.66Å; F130-I142 HydrophobicContact CE1-CG2 4.11Å; F130-I142 HydrophobicContact CG-CG2 4.47Å; K131-I142 WeakPolarHBondContact O-CA 3.45Å; L140-I142 HydrophobicContact CD1-CG1 4.33Å; L140-I142 HydrophobicContact CD2-CD1 4.06Å; L140-I142 HydrophobicContact CD2-CG1 4.39Å; L140-I142 HydrophobicContact CG-CD1 4.3Å; L140-I142 HydrophobicContact CG-CG1 4.11Å
143E97.9Very high88.8Confident72 Ų7273.7 Ų73.734%0.33642%0.419SS..EExtended strand (participates in β ladder)trans-140.8150.7-17763.2174.4-179.200114K71 F72 Q73 F130 K131K71-E143 IonicContact NZ-OE2 2.95Å; K71-E143 PolarHBondContact NZ-OE2 2.75Å; F72-E143 CarbonylContact O-C 3.56Å; F72-E143 VanDerWaalsContact O-CA 3.24Å; F72-E143 WeakPolarHBondContact O-CA 3.37Å; Q73-E143 HydrophobicContact CB-CB 3.81Å; Q73-E143 HydrophobicContact CG-CB 3.99Å; Q73-E143 PolarHBondContact OE1-OE2 3.39Å; F130-E143 CarbonylContact C-O 3.51Å; F130-E143 WeakPolarHBondContact CA-O 3.38Å; K131-E143 PolarHBondContact N-O 3.13Å; K131-E143 PolarHBondContact O-N 2.79Å
144A97.5Very high88.1Confident5 Ų576.3 Ų76.34%0.04143%0.428CS..EExtended strand (participates in β ladder)trans-145.3143.4171.400000110.3K71 F72 I125 F130K71-A144 WeakPolarHBondContact CA-O 3.44Å; K71-A144 WeakPolarHBondContact CB-O 3.13Å; F72-A144 PolarHBondContact N-O 2.83Å; F72-A144 PolarHBondContact O-N 2.81Å; I125-A144 HydrophobicContact CD1-CB 4.05Å; I125-A144 HydrophobicContact CG2-CB 4.05Å; F130-A144 HydrophobicContact CD1-CB 3.52Å; F130-A144 HydrophobicContact CD2-CB 4.21Å; F130-A144 HydrophobicContact CE1-CB 3.52Å; F130-A144 HydrophobicContact CE2-CB 4.21Å; F130-A144 HydrophobicContact CG-CB 3.86Å; F130-A144 HydrophobicContact CZ-CB 3.87Å
145A95.7Very high87.6Confident62 Ų6280.9 Ų80.951%0.51245%0.447SS..EExtended strand (participates in β ladder)trans-75.4144.7172.600000110.8
146K93.6Very high87.3Confident45 Ų4586.9 Ų86.920%0.19647%0.469CS..BIsolated β-bridgetrans-83.1132.2172.6-68.5-178.7-176.7175.60110N67 D68 K70 I125N67-K146 WeakPolarHBondContact OD1-CE 3.17Å; N67-K146 PolarHBondContact OD1-NZ 3.07Å; D68-K146 VanDerWaalsContact O-CD 3.24Å; D68-K146 WeakPolarHBondContact O-CD 3.46Å; D68-K146 WeakPolarHBondContact O-CE 3.33Å; D68-K146 PolarHBondContact O-NZ 2.74Å; K70-K146 PolarHBondContact O-N 3.48Å; I125-K146 HydrophobicContact CD1-CB 4.37Å; I125-K146 HydrophobicContact CD1-CG 3.52Å; I125-K146 HydrophobicContact CG1-CG 4.2Å
147V88.3Confident87.1Confident85 Ų8586.5 Ų86.552%0.51546%0.458SS..PPolyproline II helixtrans-97131.3172.8-174.30000108.9G124 I126G124-V147 VanDerWaalsContact CA-O 3.29Å; G124-V147 WeakPolarHBondContact CA-O 3.13Å; G124-V147 WeakPolarHBondContact O-CB 3.28Å; G124-V147 PolarHBondContact O-N 2.94Å; I126-V147 HydrophobicContact CD1-CG2 3.84Å; I126-V147 HydrophobicContact CG1-CG2 4.18Å
148G79Confident87.1Confident59 Ų5986.9 Ų86.961%0.60847%0.465SS*.SBendtrans103.8162.9179.400000113.4
149R66.8Low86.9Confident245 Ų24594.6 Ų94.693%0.92550%0.503SS*.  trans-77.6125.8178.2-67.3-169.2-173.6-119.82.5109.1H151R149-H151 PolarHBondContact O-N 3.12Å
150P63.2Low86.8Confident67 Ų67101.2 Ų101.244%0.43553%0.53SS..  trans-68.6107.3171.519.9-17000107.5D69 S152D69-P150 HydrophobicContact CB-CB 4.01Å; D69-P150 HydrophobicContact CB-CG 3.41Å; D69-P150 VanDerWaalsContact CB-CG 3.41Å; D69-P150 WeakPolarHBondContact OD1-CB 3.24Å; P150-S152 PolarHBondContact O-N 2.89Å; P150-S152 VanDerWaalsContact O-N 3.1Å
151H65.9Low86.4Confident173 Ų173112.4 Ų112.480%0.80157%0.572SS**  trans-83.674.3166.3-159.775.2000107.7R149R149-H151 PolarHBondContact O-N 3.12Å
152S67.2Low85.6Confident94 Ų94119 Ų11966%0.65763%0.629SS**  trans-84110.8172.5-170.90000108.2P150P150-S152 PolarHBondContact O-N 2.89Å; P150-S152 VanDerWaalsContact O-N 3.1Å
153V78.9Confident85Confident110 Ų110124.9 Ų124.967%0.66766%0.66SS**  trans-86.6115.5173.5-179.40000107.6H155V153-H155 PolarHBondContact O-N 3.03Å
154E83.9Confident84.3Confident155 Ų155127.6 Ų127.672%0.72468%0.677SS**  trans-65.5128.2175.6-172.5-173.7158.900110.1K156E154-K156 WeakPolarHBondContact OE1-CE 3.03Å
155H86.2Confident83.6Confident154 Ų154134.4 Ų134.471%0.71371%0.712SS**  trans-129.6121.5175-176.169.7000110.7V153V153-H155 PolarHBondContact O-N 3.03Å
156K91.4Very high82.8Confident168 Ų168138.7 Ų138.773%0.7372%0.724SS**PPolyproline II helixtrans-86.7118.2179.9-68-174.5178.8-178.90110.9E154E154-K156 WeakPolarHBondContact OE1-CE 3.03Å
157I91.6Very high82.2Confident136 Ų136144.6 Ų144.670%0.69776%0.757SS**PPolyproline II helixtrans-99117.7177.6-56173.7000108.7
158P93.3Very high81.8Confident101 Ų101148.5 Ų148.566%0.65677%0.773SS**PPolyproline II helixtrans-72.4130.3178.728.1-32.9000111.3
159I93.3Very high82Confident172 Ų172154.9 Ų154.988%0.88279%0.785SS**PPolyproline II helixtrans-84.8121.3173.1-58.1170.8000108.2
160K94.8Very high83.1Confident184 Ų184148 Ų14880%0.877%0.774SS**  trans-110.8129.6173.1-63.7-177.1-179.1-178.90108.9
161R88.5Confident84.8Confident243 Ų243154.8 Ų154.892%0.91780%0.802SS**  trans-82.8127.1165.8-178.6176.8-72.2169.3-2.9107.4
162A82.5Confident86.5Confident167 Ų167153.1 Ų153.1100%1.3880%0.802SS**  trans-78.40168.200000109.9

Retrieved 162 of 162 residues in 69 ms (Link to these results)