A0A077ZI97_TRITR Loading...

Histoneo histone h3 histone h1

AlphaFold DB , UniProt , Accession A0A077ZI97, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 220 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
1M52.9Low62.3Low239 Ų239131.4 Ų131.4100%1.17776%0.764SS**  0153.50-74.3170.9168.500108.9
2T58.2Low61.4Low131 Ų131131.8 Ų131.880%0.80476%0.762SS**  trans52.491.3167.3-38.30000116.6
3S53.2Low61.5Low108 Ų108131.9 Ų131.976%0.75577%0.765SS**  trans-80.1146.8165.8-171.80000110.7
4T75.9Confident61.1Low114 Ų114130.2 Ų130.270%0.69976%0.76SS**  trans-139.782.2172.8-45.70000112
5P69.4Low60.5Low109 Ų109128 Ų12871%0.70876%0.763SS**  trans-92.395.7165.733.4-24000108.9D7P5-D7 PolarHBondContact O-N 3.19Å
6L69.4Low60.2Low148 Ų148127.3 Ų127.378%0.77577%0.766SS**  trans-8495171.5-131.574.9000109.4
7D59.1Low60Low121 Ų121126.7 Ų126.765%0.64777%0.766SS**  trans-58.5139.3161.4178.166.9000109.7P5 S9P5-D7 PolarHBondContact O-N 3.19Å; D7-S9 WeakPolarHBondContact OD2-CB 3.07Å; D7-S9 PolarHBondContact OD2-N 2.62Å
8M64Low60Low152 Ų152124.2 Ų124.275%0.74976%0.761SS**  trans-13271.9169.2-86.9-74.2100.300109.1T10M8-T10 PolarHBondContact O-N 2.85Å
9S60Low60.1Low84 Ų84124.2 Ų124.259%0.58776%0.763SS**  trans-41.9120.5157.9179.60000112.1D7D7-S9 WeakPolarHBondContact OD2-CB 3.07Å; D7-S9 PolarHBondContact OD2-N 2.62Å
10T64.1Low59.9Low130 Ų130126.4 Ų126.480%0.79877%0.767SS**  trans-126.6115.3153.353.90000107.2M8M8-T10 PolarHBondContact O-N 2.85Å
11P58.6Low59.4Low109 Ų109130.5 Ų130.571%0.70877%0.774SS**  trans-81.2178.5-168.333.2-37.8000114
12D51.7Low59.1Low137 Ų137128 Ų12873%0.73376%0.757SS**  trans-32137.9166.1-177.2-125.9000115.5
13V63.3Low58.3Low133 Ų133126.6 Ų126.681%0.80676%0.758SS**  trans-135.2119.2163.8-1750000107.3
14P55.6Low58Low108 Ų108127.7 Ų127.770%0.70176%0.76SS**  trans-85.3-179.2-15732.7-38.8000116
15A51.9Low56.4Low97 Ų97127.5 Ų127.580%0.80277%0.77SS**  trans-66.1-177.2-169.700000117.4
16S56.2Low55.1Low116 Ų116125.5 Ų125.581%0.81177%0.77SS**  trans91.8152.2164-143.50000115.9
17P57.2Low54.1Low118 Ų118122.7 Ų122.777%0.76677%0.768SS**  cis-115166.9-1.739.2-27.1000115.3
18A59.4Low53.7Low81 Ų81127.1 Ų127.167%0.66978%0.781SS**  trans-83.5150-177.500000113.8M20A18-M20 PolarHBondContact O-N 3.15Å
19P61.3Low53.3Low124 Ų124128.7 Ų128.781%0.80578%0.784SS**  trans-73.791.1162.631.4-32.5000109.7K21P19-K21 PolarHBondContact O-N 2.97Å
20M57.2Low53Low169 Ų169130.6 Ų130.683%0.83379%0.794SS**  trans-57.7122.6174.1-73.3-171.9174.500110.7A18 K22A18-M20 PolarHBondContact O-N 3.15Å; M20-K22 PolarHBondContact O-N 3.47Å
21K49.5Very low52.7Low212 Ų212131.1 Ų131.192%0.92280%0.797SS**  trans-76.363.3175.7-63.6179.9-177.7175.50111.1P19 A23P19-K21 PolarHBondContact O-N 2.97Å; K21-A23 PolarHBondContact O-N 2.81Å
22K45.7Very low52.9Low188 Ų188135 Ų13582%0.81780%0.803SS**  trans-80.599.8179.3-146.9171.6-169177.50109.5M20 T24M20-K22 PolarHBondContact O-N 3.47Å; K22-T24 PolarHBondContact O-N 2.69Å
23A42.1Very low53.1Low100 Ų100134 Ų13483%0.82680%0.804SS**  trans-60.6132.5166.700000109K21K21-A23 PolarHBondContact O-N 2.81Å
24T47.2Very low53.1Low131 Ų131139 Ų13980%0.80481%0.808SS**  trans-142.7133.3167.4-171.10000109.4K22 G26K22-T24 PolarHBondContact O-N 2.69Å; T24-G26 PolarHBondContact O-N 2.83Å; T24-G26 VanDerWaalsContact O-N 3.14Å
25A42Very low53.4Low110 Ų110136.5 Ų136.591%0.90980%0.802SS**  trans-79.393.6178.400000109.3
26G42.1Very low53.8Low68 Ų68138.2 Ų138.270%0.70181%0.805SS**  trans-87.9113.9176.900000111.8T24T24-G26 PolarHBondContact O-N 2.83Å; T24-G26 VanDerWaalsContact O-N 3.14Å
27A47.8Very low54.1Low88 Ų88136.7 Ų136.773%0.72780%0.799SS**  trans-50.7136.4-174.600000114.4K29A27-K29 PolarHBondContact O-N 3.06Å
28K50.5Low54.6Low215 Ų215140 Ų14094%0.93580%0.802SS**  trans-68.773.2173.2-66.5-178.7-179.7176.80111.4
29K56.6Low54.7Low185 Ų185142.2 Ų142.280%0.80481%0.809SS**  trans-64.7132.2167.9-75.1-169.5174.4-175.50109.3A27 V31A27-K29 PolarHBondContact O-N 3.06Å; K29-V31 PolarHBondContact O-N 2.92Å
30P53Low54.8Low123 Ų123145.4 Ų145.480%0.79981%0.811SS**  trans-67.5119.9-179.626.8-33.4000110.1K32P30-K32 PolarHBondContact O-N 3.14Å
31V58.9Low54.9Low142 Ų142142 Ų14286%0.86181%0.809SS**  trans-68.599.2168.8-87.40000108.8K29K29-V31 PolarHBondContact O-N 2.92Å
32K61.9Low55.5Low189 Ų189138.5 Ų138.582%0.82281%0.806SS**  trans-39128.9176.5-170171.2-174.3170.90110.3P30 R34P30-K32 PolarHBondContact O-N 3.14Å; K32-R34 PolarHBondContact O-N 2.86Å
33P56.4Low56.8Low118 Ų118133.4 Ų133.477%0.76679%0.794SS**  trans-57.2127.8-172.922.3-33.3000110.1G35P33-G35 PolarHBondContact O-N 2.82Å
34R61.7Low58.9Low237 Ų237132.6 Ų132.689%0.89478%0.782SS**  trans-64.9111.7170.5-73.4169.965177.93.1106.9K32K32-R34 PolarHBondContact O-N 2.86Å
35G63.7Low60.9Low55 Ų55128.3 Ų128.357%0.56775%0.753SS**  trans-53.5162.4175.500000112.1P33 A37P33-G35 PolarHBondContact O-N 2.82Å; G35-A37 PolarHBondContact O-N 2.77Å
36P60.3Low63.4Low133 Ų133126.1 Ų126.186%0.86473%0.73SS**  trans-49.2116.1-166.818.8-32.6000111.3K38P36-K38 PolarHBondContact O-N 2.84Å
37A62.5Low65.9Low84 Ų84125.5 Ų125.569%0.69472%0.717SS**  trans-65.4112.5-176.200000108.8G35G35-A37 PolarHBondContact O-N 2.77Å
38K67Low68.2Low188 Ų188122.8 Ų122.882%0.81769%0.689SS**  trans-42.5134177.2-65-175.1178-174.40109.9P36 K40P36-K38 PolarHBondContact O-N 2.84Å; K38-K40 PolarHBondContact O-N 2.73Å
39P62.4Low70.3Confident127 Ų127115.7 Ų115.783%0.82567%0.666SS**PPolyproline II helixtrans-54.8119.2-174.721.9-33.1000109.3A41P39-A41 PolarHBondContact O-N 3.42Å; P39-A41 VanDerWaalsContact O-N 3.14Å
40K61.5Low72.2Confident192 Ų192111.1 Ų111.184%0.83565%0.65SS**PPolyproline II helixtrans-64118.2179.7-65.1173.6-174.1167.80107.2K38 T42K38-K40 PolarHBondContact O-N 2.73Å; K40-T42 PolarHBondContact O-N 2.92Å
41A59.9Low74.2Confident98 Ų98105.2 Ų105.281%0.8161%0.612SS**PPolyproline II helixtrans-47.8125.4177.100000109.8P39 S43P39-A41 PolarHBondContact O-N 3.42Å; P39-A41 VanDerWaalsContact O-N 3.14Å; A41-S43 PolarHBondContact O-N 2.89Å
42T62.7Low76Confident137 Ų13798.5 Ų98.584%0.8457%0.572SS**PPolyproline II helixtrans-63.7126.5-175.539.70000109.4K40 S44K40-T42 PolarHBondContact O-N 2.92Å; T42-S44 PolarHBondContact O-N 2.97Å; T42-S44 VanDerWaalsContact O-N 3.16Å
43S72.1Confident77.6Confident82 Ų8291.4 Ų91.457%0.57354%0.544SS*.PPolyproline II helixtrans-61121.2177.6-179.80000109.2A41 H45A41-S43 PolarHBondContact O-N 2.89Å; S43-H45 WeakPolarHBondContact CB-O 3.08Å; S43-H45 PolarHBondContact O-N 3.12Å; S43-H45 PolarHBondContact OG-O 3.47Å
44S86.5Confident79.5Confident83 Ų8388.4 Ų88.458%0.5852%0.523SS*.SBendtrans-67.83.6179.7-166.10000113.7T42 K79T42-S44 PolarHBondContact O-N 2.97Å; T42-S44 VanDerWaalsContact O-N 3.16Å; S44-K79 WeakPolarHBondContact OG-CB 3.17Å; S44-K79 WeakPolarHBondContact OG-CD 3.44Å
45H90.5Very high81.2Confident41 Ų4177.1 Ų77.119%0.1948%0.481CS..SBendtrans-143.7148.5176.154.1-90.6000110.9S43 Y48 M51 K79 V80S43-H45 WeakPolarHBondContact CB-O 3.08Å; S43-H45 PolarHBondContact O-N 3.12Å; S43-H45 PolarHBondContact OG-O 3.47Å; H45-Y48 AromaticContact CD2-CE2 3.94Å; H45-Y48 AromaticContact NE2-CE2 3.48Å; H45-Y48 WeakPolarHBondContact NE2-CE2 3.47Å; H45-M51 HydrophobicContact CB-CE 4.48Å; H45-M51 HydrophobicContact CB-SD 3.94Å; H45-K79 PolarHBondContact ND1-O 3.22Å; H45-V80 HydrophobicContact CB-CG1 4.07Å
46P93.7Very high82.7Confident64 Ų6475.1 Ų75.142%0.41646%0.457SS..  trans-68.1175.5173.930.5-34.9000111.3M51 Y78P46-M51 HydrophobicContact CG-CG 3.82Å; P46-M51 WeakPolarHBondContact O-CE 3.28Å; P46-Y78 HydrophobicContact CG-CD1 4.42Å; P46-Y78 HydrophobicContact CG-CE1 4.09Å
47A94.9Very high84.3Confident54 Ų5476.6 Ų76.645%0.44645%0.445SS..  trans-63.4147.5-175.200000112.1S49 D50 M51A47-S49 PolarHBondContact O-N 3.24Å; A47-S49 VanDerWaalsContact O-N 3.09Å; A47-D50 WeakPolarHBondContact CB-OD2 3.48Å; A47-D50 PolarHBondContact O-N 2.88Å; A47-M51 PolarHBondContact O-N 2.89Å
48Y96Very high85.9Confident32 Ų3276.1 Ų76.113%0.12543%0.434CS..Hα-helixtrans-59.7-24.3-178.2-83.4-97.5000114.1H45 M51 V52 I87 H90 I91H45-Y48 AromaticContact CD2-CE2 3.94Å; H45-Y48 AromaticContact NE2-CE2 3.48Å; H45-Y48 WeakPolarHBondContact NE2-CE2 3.47Å; Y48-M51 HydrophobicContact CD1-CE 3.52Å; Y48-M51 HydrophobicContact CD2-CE 3.57Å; Y48-M51 HydrophobicContact CE1-CE 3.72Å; Y48-M51 HydrophobicContact CE2-CE 3.75Å; Y48-M51 HydrophobicContact CG-CE 3.46Å; Y48-M51 VanDerWaalsContact CG-CE 3.46Å; Y48-V52 WeakPolarHBondContact O-CB 3.13Å; Y48-V52 WeakPolarHBondContact O-CG2 3.34Å; Y48-V52 PolarHBondContact O-N 2.91Å; Y48-V52 VanDerWaalsContact O-N 3.13Å; Y48-I87 HydrophobicContact CE1-CG2 4.25Å; Y48-H90 HydrophobicContact CD1-CB 3.48Å; Y48-H90 VanDerWaalsContact CD1-CB 3.48Å; Y48-H90 HydrophobicContact CD2-CB 3.8Å; Y48-H90 HydrophobicContact CE1-CB 3.47Å; Y48-H90 VanDerWaalsContact CE1-CB 3.47Å; Y48-H90 HydrophobicContact CE2-CB 3.81Å; Y48-H90 AromaticContact CE2-CG 3.87Å; Y48-H90 AromaticContact CE2-ND1 3.79Å; Y48-H90 HydrophobicContact CG-CB 3.63Å; Y48-H90 AromaticContact CZ-CG 3.92Å; Y48-H90 AromaticContact CZ-ND1 3.7Å; Y48-I91 HydrophobicContact CD1-CG1 3.89Å; Y48-I91 HydrophobicContact CE1-CG1 4.18Å
49S95Very high87.2Confident66 Ų6669.9 Ų69.946%0.46241%0.409SS..Hα-helixtrans-61.2-47.7170.3-56.80000111.4A47 V52 V53A47-S49 PolarHBondContact O-N 3.24Å; A47-S49 VanDerWaalsContact O-N 3.09Å; S49-V52 PolarHBondContact O-N 3Å; S49-V53 WeakPolarHBondContact O-CG2 3.36Å; S49-V53 PolarHBondContact O-N 3.25Å
50D95.5Very high88.6Confident88 Ų8872.2 Ų72.247%0.47141%0.406SS..Hα-helixtrans-75.9-40.5-173.6-44.8-41.8000110.2A47 V52 V53 T54A47-D50 WeakPolarHBondContact CB-OD2 3.48Å; A47-D50 PolarHBondContact O-N 2.88Å; D50-V52 PolarHBondContact O-N 3.38Å; D50-V53 PolarHBondContact O-N 3.46Å; D50-T54 WeakPolarHBondContact O-CB 2.97Å; D50-T54 PolarHBondContact O-N 3.04Å; D50-T54 PolarHBondContact O-OG1 2.87Å; D50-T54 VanDerWaalsContact O-OG1 3.14Å
51M96.3Very high90.1Very high0 Ų067 Ų670%039%0.385CS..Hα-helixtrans-56.4-39.2170.2-66.2-165-70.500111.9H45 P46 A47 Y48 A55 I74 Y78 V80H45-M51 HydrophobicContact CB-CE 4.48Å; H45-M51 HydrophobicContact CB-SD 3.94Å; P46-M51 HydrophobicContact CG-CG 3.82Å; P46-M51 WeakPolarHBondContact O-CE 3.28Å; A47-M51 PolarHBondContact O-N 2.89Å; Y48-M51 HydrophobicContact CD1-CE 3.52Å; Y48-M51 HydrophobicContact CD2-CE 3.57Å; Y48-M51 HydrophobicContact CE1-CE 3.72Å; Y48-M51 HydrophobicContact CE2-CE 3.75Å; Y48-M51 HydrophobicContact CG-CE 3.46Å; Y48-M51 VanDerWaalsContact CG-CE 3.46Å; M51-A55 WeakPolarHBondContact O-CB 3.49Å; M51-A55 PolarHBondContact O-N 3.03Å; M51-I74 HydrophobicContact CB-CD1 3.9Å; M51-I74 HydrophobicContact CB-CG1 4.07Å; M51-I74 HydrophobicContact CE-CG2 4.22Å; M51-I74 HydrophobicContact SD-CG2 4Å; M51-Y78 HydrophobicContact CB-CD2 4.1Å; M51-Y78 HydrophobicContact CB-CE2 3.78Å; M51-Y78 HydrophobicContact CG-CD1 4.43Å; M51-Y78 HydrophobicContact CG-CD2 3.72Å; M51-Y78 HydrophobicContact CG-CE1 4.36Å; M51-Y78 HydrophobicContact CG-CE2 3.63Å; M51-Y78 HydrophobicContact CG-CG 4.12Å; M51-Y78 HydrophobicContact SD-CD1 4.2Å; M51-Y78 HydrophobicContact SD-CD2 3.45Å; M51-Y78 WeakPolarHBondContact SD-CD2 3.32Å; M51-Y78 HydrophobicContact SD-CE2 4.04Å; M51-Y78 HydrophobicContact SD-CG 3.54Å; M51-Y78 VanDerWaalsContact SD-CG 3.54Å; M51-V80 HydrophobicContact CE-CG1 3.73Å; M51-V80 HydrophobicContact SD-CG1 3.75Å
52V96.5Very high91.6Very high1 Ų170.7 Ų70.71%0.00639%0.385CS..Hα-helixtrans-70.8-42.2175.4164.20000112Y48 S49 D50 A55 L56 L70 I74 I91 L95 L104Y48-V52 WeakPolarHBondContact O-CB 3.13Å; Y48-V52 WeakPolarHBondContact O-CG2 3.34Å; Y48-V52 PolarHBondContact O-N 2.91Å; Y48-V52 VanDerWaalsContact O-N 3.13Å; S49-V52 PolarHBondContact O-N 3Å; D50-V52 PolarHBondContact O-N 3.38Å; V52-A55 PolarHBondContact O-N 2.97Å; V52-L56 HydrophobicContact CG1-CD1 3.96Å; V52-L56 WeakPolarHBondContact O-CB 3.49Å; V52-L56 VanDerWaalsContact O-CG 3.23Å; V52-L56 WeakPolarHBondContact O-CG 3.46Å; V52-L56 PolarHBondContact O-N 3.35Å; V52-L70 HydrophobicContact CG1-CD1 4.07Å; V52-I74 HydrophobicContact CG2-CD1 3.92Å; V52-I91 HydrophobicContact CG2-CG2 4.29Å; V52-L95 HydrophobicContact CG1-CD2 3.95Å; V52-L104 HydrophobicContact CG1-CD1 3.97Å
53V95.2Very high92.9Very high40 Ų4065.1 Ų65.124%0.24236%0.355CS..Hα-helixtrans-64.1-43.51771690000111.2S49 D50 L56 R57 L104 V118S49-V53 WeakPolarHBondContact O-CG2 3.36Å; S49-V53 PolarHBondContact O-N 3.25Å; D50-V53 PolarHBondContact O-N 3.46Å; V53-L56 PolarHBondContact O-N 2.96Å; V53-R57 WeakPolarHBondContact O-CG 3.33Å; V53-R57 PolarHBondContact O-N 3.12Å; V53-L104 HydrophobicContact CG2-CD2 4.29Å; V53-V118 HydrophobicContact CG1-CG2 4.49Å
54T95.8Very high94Very high54 Ų5461.4 Ų61.433%0.33133%0.329SS..Hα-helixtrans-63.4-48.2174.8-61.70000110.9D50 L56 R57 T58 Y78D50-T54 WeakPolarHBondContact O-CB 2.97Å; D50-T54 PolarHBondContact O-N 3.04Å; D50-T54 PolarHBondContact O-OG1 2.87Å; D50-T54 VanDerWaalsContact O-OG1 3.14Å; T54-L56 VanDerWaalsContact C-N 3.26Å; T54-L56 PolarHBondContact O-N 3.23Å; T54-R57 CarbonylContact O-C 3.58Å; T54-R57 WeakPolarHBondContact O-CA 3.43Å; T54-R57 WeakPolarHBondContact O-CB 3.42Å; T54-R57 PolarHBondContact O-N 3.34Å; T54-T58 PolarHBondContact O-N 3.22Å; T54-T58 PolarHBondContact O-OG1 3.14Å; T54-Y78 WeakPolarHBondContact CG2-OH 3.36Å
55A96.9Very high94.5Very high0 Ų057.5 Ų57.50%030%0.302CS..Hα-helixtrans-56.8-37.2175.900000113.2M51 V52 L59 L70 Y73M51-A55 WeakPolarHBondContact O-CB 3.49Å; M51-A55 PolarHBondContact O-N 3.03Å; V52-A55 PolarHBondContact O-N 2.97Å; A55-L59 WeakPolarHBondContact O-CB 3.42Å; A55-L59 PolarHBondContact O-N 3.37Å; A55-L70 HydrophobicContact CB-CD2 3.52Å; A55-Y73 HydrophobicContact CB-CD1 3.27Å; A55-Y73 HydrophobicContact CB-CE1 3.74Å; A55-Y73 HydrophobicContact CB-CG 3.86Å
56L95.9Very high94.7Very high13 Ų1357.4 Ų57.47%0.06831%0.306CS..Hα-helixtrans-69.4-34174.2-73.3168.3000113.1V52 V53 T54 L70 L104 F116 V118V52-L56 HydrophobicContact CG1-CD1 3.96Å; V52-L56 WeakPolarHBondContact O-CB 3.49Å; V52-L56 VanDerWaalsContact O-CG 3.23Å; V52-L56 WeakPolarHBondContact O-CG 3.46Å; V52-L56 PolarHBondContact O-N 3.35Å; V53-L56 PolarHBondContact O-N 2.96Å; T54-L56 VanDerWaalsContact C-N 3.26Å; T54-L56 PolarHBondContact O-N 3.23Å; L56-L70 HydrophobicContact CD2-CD2 4.07Å; L56-L70 HydrophobicContact CG-CD2 3.91Å; L56-L104 HydrophobicContact CD1-CD2 3.42Å; L56-L104 VanDerWaalsContact CD1-CD2 3.42Å; L56-F116 HydrophobicContact CD2-CB 4.38Å; L56-F116 WeakPolarHBondContact CD2-O 3.4Å; L56-V118 HydrophobicContact CB-CG2 3.69Å; L56-V118 HydrophobicContact CD1-CG2 4.32Å
57R94.5Very high94.8Very high165 Ų16556.7 Ų56.762%0.62330%0.295SS*.Hα-helixtrans-74.2-32.5175.3-71.3171.7-178.5-91.33.3112.5V53 T54 K60 V118V53-R57 WeakPolarHBondContact O-CG 3.33Å; V53-R57 PolarHBondContact O-N 3.12Å; T54-R57 CarbonylContact O-C 3.58Å; T54-R57 WeakPolarHBondContact O-CA 3.43Å; T54-R57 WeakPolarHBondContact O-CB 3.42Å; T54-R57 PolarHBondContact O-N 3.34Å; R57-K60 WeakPolarHBondContact O-CG 3.13Å; R57-V118 HydrophobicContact CG-CG2 4.09Å
58T96.3Very high94.9Very high74 Ų7459.7 Ų59.745%0.45430%0.3SS..Hα-helixtrans-80.9-47.2-179.8-48.50000112.6T54 K60 Y73T54-T58 PolarHBondContact O-N 3.22Å; T54-T58 PolarHBondContact O-OG1 3.14Å; T58-K60 PolarHBondContact O-N 2.97Å; T58-Y73 HydrophobicContact CG2-CE2 3.73Å; T58-Y73 PolarHBondContact OG1-OH 2.99Å; T58-Y73 VanDerWaalsContact OG1-OH 3.09Å
59L94.3Very high94.9Very high57 Ų5759.4 Ų59.430%0.29830%0.304SS..Hα-helixtrans-71-30.8-173.5-95.660.6000114.2A55 E61 S65 A69 Y73A55-L59 WeakPolarHBondContact O-CB 3.42Å; A55-L59 PolarHBondContact O-N 3.37Å; L59-E61 HydrophobicContact CB-CG 4.39Å; L59-E61 PolarHBondContact O-N 3.29Å; L59-S65 WeakPolarHBondContact CB-OG 3.48Å; L59-A69 HydrophobicContact CD2-CB 3.76Å; L59-Y73 HydrophobicContact CD1-CD2 3.33Å; L59-Y73 HydrophobicContact CD1-CE2 3.99Å; L59-Y73 HydrophobicContact CD1-CG 3.85Å
60K90.5Very high95Very high175 Ų17556.2 Ų56.276%0.76128%0.282SS*.  trans50.721173.9-59.7174.167.9177.80116.3R57 T58 H62R57-K60 WeakPolarHBondContact O-CG 3.13Å; T58-K60 PolarHBondContact O-N 2.97Å; K60-H62 PolarHBondContact O-N 3.02Å
61E93.6Very high95Very high83 Ų8353.1 Ų53.139%0.38827%0.265SS..  trans-43.5131.9175-80.2-76.8170.600112.7L59 G63 G64 R115L59-E61 HydrophobicContact CB-CG 4.39Å; L59-E61 PolarHBondContact O-N 3.29Å; E61-G63 VanDerWaalsContact C-N 3.26Å; E61-G63 PolarHBondContact O-N 3.14Å; E61-G63 VanDerWaalsContact O-N 3.15Å; E61-G64 WeakPolarHBondContact O-CA 3.38Å; E61-G64 PolarHBondContact O-N 3.05Å; E61-R115 IonicContact OE2-NH2 2.62Å
62H90.9Very high95Very high176 Ų17660.8 Ų60.882%0.81530%0.298SS*.THydrogen-bonded Turntrans-53.5-41.9-175.6174.7-126.7000112.9K60 R117K60-H62 PolarHBondContact O-N 3.02Å; H62-R117 PolarHBondContact O-NH1 3.47Å
63G91.1Very high95.1Very high19 Ų1962.2 Ų62.220%0.19630%0.304CS..THydrogen-bonded Turntrans-88.91.6176.100000115.2E61 T107E61-G63 VanDerWaalsContact C-N 3.26Å; E61-G63 PolarHBondContact O-N 3.14Å; E61-G63 VanDerWaalsContact O-N 3.15Å; G63-T107 WeakPolarHBondContact O-CB 3.23Å; G63-T107 PolarHBondContact O-OG1 2.96Å
64G94.7Very high95.1Very high4 Ų460.3 Ų60.34%0.04129%0.292CS..  trans80.8151.7-162.700000113.2E61 R115 F116E61-G64 WeakPolarHBondContact O-CA 3.38Å; E61-G64 PolarHBondContact O-N 3.05Å; G64-R115 WeakPolarHBondContact O-CD 3.26Å; G64-R115 WeakPolarHBondContact O-CG 3.44Å; G64-F116 CarbonylContact C-O 3.52Å; G64-F116 VanDerWaalsContact C-O 3.31Å; G64-F116 WeakPolarHBondContact CA-O 3.47Å
65S96.3Very high95.1Very high1 Ų161.3 Ų61.31%0.00729%0.294CS..EExtended strand (participates in β ladder)trans-70.3145.6-175.5-46.90000111.9L59 R115 F116L59-S65 WeakPolarHBondContact CB-OG 3.48Å; S65-R115 WeakPolarHBondContact O-CA 3.48Å; S65-F116 PolarHBondContact N-O 3.39Å; S65-F116 VanDerWaalsContact N-O 3.12Å; S65-F116 PolarHBondContact O-N 2.83Å
66S95.9Very high95.1Very high39 Ų3965.1 Ų65.127%0.27333%0.326SS..EExtended strand (participates in β ladder)trans-85.4161.3172.576.10000111.4Q68 A69 L70 G114S66-Q68 PolarHBondContact O-N 3.17Å; S66-Q68 VanDerWaalsContact O-N 3.14Å; S66-Q68 PolarHBondContact OG-N 3.45Å; S66-A69 PolarHBondContact O-N 3.03Å; S66-A69 PolarHBondContact OG-N 3.44Å; S66-L70 WeakPolarHBondContact O-CG 3.44Å; S66-L70 PolarHBondContact O-N 2.82Å; S66-G114 WeakPolarHBondContact CA-O 3.48Å
67R95.4Very high95.1Very high49 Ų4968.6 Ų68.619%0.18534%0.344CS..Hα-helixtrans-52.2-34173.5177.4168.8167.5-96.35.6113.7L71 N88 I91 K92 L95R67-L71 WeakPolarHBondContact O-CB 3.47Å; R67-L71 PolarHBondContact O-N 3.31Å; R67-N88 PolarHBondContact NE-O 2.89Å; R67-N88 PolarHBondContact NE-OD1 3.1Å; R67-N88 PolarHBondContact NH1-OD1 3.11Å; R67-N88 PolarHBondContact NH2-ND2 3.41Å; R67-N88 PolarHBondContact NH2-O 3.41Å; R67-N88 PolarHBondContact NH2-OD1 2.97Å; R67-I91 HydrophobicContact CG-CG2 4.1Å; R67-K92 VanDerWaalsContact NH2-CE 3.32Å; R67-L95 HydrophobicContact CB-CD1 3.91Å; R67-L95 HydrophobicContact CG-CD1 3.98Å
68Q96.1Very high95.1Very high118 Ų11863.5 Ų63.555%0.55133%0.325SS*.Hα-helixtrans-73.7-37.4177.4-58.6-67.835.400112.4S66 L71 K72S66-Q68 PolarHBondContact O-N 3.17Å; S66-Q68 VanDerWaalsContact O-N 3.14Å; S66-Q68 PolarHBondContact OG-N 3.45Å; Q68-L71 PolarHBondContact O-N 3.09Å; Q68-K72 PolarHBondContact O-N 2.93Å
69A96.6Very high95Very high25 Ų2567.7 Ų67.721%0.20734%0.337CS..Hα-helixtrans-67.1-38.9174.800000111.5L59 S66 K72 Y73L59-A69 HydrophobicContact CD2-CB 3.76Å; S66-A69 PolarHBondContact O-N 3.03Å; S66-A69 PolarHBondContact OG-N 3.44Å; A69-K72 PolarHBondContact O-N 3.32Å; A69-Y73 PolarHBondContact O-N 2.95Å
70L97Very high94.9Very high0 Ų065.8 Ų65.80%033%0.328CS..Hα-helixtrans-62.5-42.8172.8-62.8171.5000111.8V52 A55 L56 S66 Y73 I74 I91 L95V52-L70 HydrophobicContact CG1-CD1 4.07Å; A55-L70 HydrophobicContact CB-CD2 3.52Å; L56-L70 HydrophobicContact CD2-CD2 4.07Å; L56-L70 HydrophobicContact CG-CD2 3.91Å; S66-L70 WeakPolarHBondContact O-CG 3.44Å; S66-L70 PolarHBondContact O-N 2.82Å; L70-Y73 PolarHBondContact O-N 3.3Å; L70-I74 WeakPolarHBondContact O-CB 3.39Å; L70-I74 WeakPolarHBondContact O-CG1 3.33Å; L70-I74 PolarHBondContact O-N 3.27Å; L70-I91 HydrophobicContact CB-CG2 4.45Å; L70-L95 HydrophobicContact CD1-CD1 4.24Å; L70-L95 HydrophobicContact CD1-CD2 3.89Å
71L96.1Very high94.8Very high22 Ų2260 Ų6012%0.11532%0.317CS..Hα-helixtrans-60-49.2174.1178.3151.2000111.9R67 Q68 Y73 I74 M75 T84 N88 I91R67-L71 WeakPolarHBondContact O-CB 3.47Å; R67-L71 PolarHBondContact O-N 3.31Å; Q68-L71 PolarHBondContact O-N 3.09Å; L71-Y73 VanDerWaalsContact C-N 3.33Å; L71-Y73 PolarHBondContact O-N 3.14Å; L71-I74 PolarHBondContact O-N 3.39Å; L71-M75 HydrophobicContact CD2-SD 3.54Å; L71-M75 VanDerWaalsContact CD2-SD 3.54Å; L71-M75 HydrophobicContact CG-SD 3.97Å; L71-M75 WeakPolarHBondContact O-CG 3.39Å; L71-M75 PolarHBondContact O-N 3.18Å; L71-T84 HydrophobicContact CD1-CG2 4.23Å; L71-N88 HydrophobicContact CD1-CB 3.55Å; L71-N88 WeakPolarHBondContact CD1-OD1 3.47Å; L71-I91 HydrophobicContact CB-CD1 4.05Å
72K96.2Very high94.7Very high162 Ų16262 Ų6270%0.70434%0.336SS*.Hα-helixtrans-60.3-41.2178.2-178.4176171.465.40112Q68 A69 A76Q68-K72 PolarHBondContact O-N 2.93Å; A69-K72 PolarHBondContact O-N 3.32Å; K72-A76 WeakPolarHBondContact O-CB 3.35Å; K72-A76 PolarHBondContact O-N 3.13Å
73Y97.2Very high94.8Very high31 Ų3159 Ų5912%0.12233%0.326CS..Hα-helixtrans-65.4-49.7176.1-177.8-93000111.8A55 T58 L59 A69 L70 L71 M75 A76 N77 Y78A55-Y73 HydrophobicContact CB-CD1 3.27Å; A55-Y73 HydrophobicContact CB-CE1 3.74Å; A55-Y73 HydrophobicContact CB-CG 3.86Å; T58-Y73 HydrophobicContact CG2-CE2 3.73Å; T58-Y73 PolarHBondContact OG1-OH 2.99Å; T58-Y73 VanDerWaalsContact OG1-OH 3.09Å; L59-Y73 HydrophobicContact CD1-CD2 3.33Å; L59-Y73 HydrophobicContact CD1-CE2 3.99Å; L59-Y73 HydrophobicContact CD1-CG 3.85Å; A69-Y73 PolarHBondContact O-N 2.95Å; L70-Y73 PolarHBondContact O-N 3.3Å; L71-Y73 VanDerWaalsContact C-N 3.33Å; L71-Y73 PolarHBondContact O-N 3.14Å; Y73-M75 PolarHBondContact O-N 2.98Å; Y73-A76 PolarHBondContact O-N 3.4Å; Y73-N77 HydrophobicContact CD1-CB 4.4Å; Y73-N77 VanDerWaalsContact CD2-ND2 3.32Å; Y73-N77 WeakPolarHBondContact CD2-ND2 3.37Å; Y73-N77 HydrophobicContact CE1-CB 4.07Å; Y73-N77 WeakPolarHBondContact CE2-ND2 3.23Å; Y73-N77 WeakPolarHBondContact O-CB 3.36Å; Y73-N77 PolarHBondContact O-N 3.04Å; Y73-N77 PolarHBondContact O-ND2 3.27Å; Y73-Y78 HydrophobicContact CE1-CE2 4.09Å
74I96.7Very high95Very high0 Ų061.1 Ų61.10%034%0.335CS..Hα-helixtrans-64.2-40.9-174.1-71.2172000111.4M51 V52 L70 L71 A76 N77 Y78 V80 I87 I91M51-I74 HydrophobicContact CB-CD1 3.9Å; M51-I74 HydrophobicContact CB-CG1 4.07Å; M51-I74 HydrophobicContact CE-CG2 4.22Å; M51-I74 HydrophobicContact SD-CG2 4Å; V52-I74 HydrophobicContact CG2-CD1 3.92Å; L70-I74 WeakPolarHBondContact O-CB 3.39Å; L70-I74 WeakPolarHBondContact O-CG1 3.33Å; L70-I74 PolarHBondContact O-N 3.27Å; L71-I74 PolarHBondContact O-N 3.39Å; I74-A76 VanDerWaalsContact C-N 3.26Å; I74-A76 PolarHBondContact O-N 3.37Å; I74-N77 PolarHBondContact O-N 3.1Å; I74-Y78 HydrophobicContact CB-CD2 4.47Å; I74-Y78 HydrophobicContact CG1-CD2 4.37Å; I74-Y78 HydrophobicContact CG2-CD2 4.28Å; I74-Y78 PolarHBondContact O-N 3.41Å; I74-V80 HydrophobicContact CG2-CG1 3.76Å; I74-V80 HydrophobicContact CG2-CG2 4.11Å; I74-I87 HydrophobicContact CG2-CG2 4.46Å; I74-I91 HydrophobicContact CB-CD1 4.48Å; I74-I91 HydrophobicContact CD1-CD1 3.82Å; I74-I91 HydrophobicContact CD1-CG1 3.94Å
75M95.4Very high95.1Very high75 Ų7569.6 Ų69.637%0.36937%0.371SS..Hα-helixtrans-67.3-23.3174.4-69178.268.500114L71 Y73 V80 T84 I87L71-M75 HydrophobicContact CD2-SD 3.54Å; L71-M75 VanDerWaalsContact CD2-SD 3.54Å; L71-M75 HydrophobicContact CG-SD 3.97Å; L71-M75 WeakPolarHBondContact O-CG 3.39Å; L71-M75 PolarHBondContact O-N 3.18Å; Y73-M75 PolarHBondContact O-N 2.98Å; M75-V80 HydrophobicContact CG-CG2 4.48Å; M75-T84 VanDerWaalsContact CE-OG1 3.26Å; M75-T84 WeakPolarHBondContact CE-OG1 3.36Å; M75-T84 HydrophobicContact SD-CG2 4.23Å; M75-I87 HydrophobicContact CG-CD1 4.1Å; M75-I87 HydrophobicContact CG-CG2 4.26Å
76A95.5Very high95Very high80 Ų8075.1 Ų75.166%0.66140%0.398SS*.Hα-helixtrans-91.5-21.8179.100000113.9K72 Y73 I74K72-A76 WeakPolarHBondContact O-CB 3.35Å; K72-A76 PolarHBondContact O-N 3.13Å; Y73-A76 PolarHBondContact O-N 3.4Å; I74-A76 VanDerWaalsContact C-N 3.26Å; I74-A76 PolarHBondContact O-N 3.37Å
77N95.9Very high95Very high86 Ų8673.3 Ų73.346%0.4639%0.385SS..Hα-helixtrans-113.3-17.4-171.8-69.8-106.3000113.8Y73 I74Y73-N77 HydrophobicContact CD1-CB 4.4Å; Y73-N77 VanDerWaalsContact CD2-ND2 3.32Å; Y73-N77 WeakPolarHBondContact CD2-ND2 3.37Å; Y73-N77 HydrophobicContact CE1-CB 4.07Å; Y73-N77 WeakPolarHBondContact CE2-ND2 3.23Å; Y73-N77 WeakPolarHBondContact O-CB 3.36Å; Y73-N77 PolarHBondContact O-N 3.04Å; Y73-N77 PolarHBondContact O-ND2 3.27Å; I74-N77 PolarHBondContact O-N 3.1Å
78Y95.7Very high95.1Very high57 Ų5772.5 Ų72.522%0.22439%0.385CS..SBendtrans-133.7145.5-174.1-59.5-70.2000112.7P46 M51 T54 Y73 I74 V80P46-Y78 HydrophobicContact CG-CD1 4.42Å; P46-Y78 HydrophobicContact CG-CE1 4.09Å; M51-Y78 HydrophobicContact CB-CD2 4.1Å; M51-Y78 HydrophobicContact CB-CE2 3.78Å; M51-Y78 HydrophobicContact CG-CD1 4.43Å; M51-Y78 HydrophobicContact CG-CD2 3.72Å; M51-Y78 HydrophobicContact CG-CE1 4.36Å; M51-Y78 HydrophobicContact CG-CE2 3.63Å; M51-Y78 HydrophobicContact CG-CG 4.12Å; M51-Y78 HydrophobicContact SD-CD1 4.2Å; M51-Y78 HydrophobicContact SD-CD2 3.45Å; M51-Y78 WeakPolarHBondContact SD-CD2 3.32Å; M51-Y78 HydrophobicContact SD-CE2 4.04Å; M51-Y78 HydrophobicContact SD-CG 3.54Å; M51-Y78 VanDerWaalsContact SD-CG 3.54Å; T54-Y78 WeakPolarHBondContact CG2-OH 3.36Å; Y73-Y78 HydrophobicContact CE1-CE2 4.09Å; I74-Y78 HydrophobicContact CB-CD2 4.47Å; I74-Y78 HydrophobicContact CG1-CD2 4.37Å; I74-Y78 HydrophobicContact CG2-CD2 4.28Å; I74-Y78 PolarHBondContact O-N 3.41Å; Y78-V80 PolarHBondContact O-N 3.5Å
79K93.2Very high95.1Very high162 Ų16268.9 Ų68.970%0.70438%0.375SS*.  trans-75.470.2173.1-75.3172.2174.2-82.60111S44 H45S44-K79 WeakPolarHBondContact OG-CB 3.17Å; S44-K79 WeakPolarHBondContact OG-CD 3.44Å; H45-K79 PolarHBondContact ND1-O 3.22Å
80V91.9Very high95.1Very high18 Ų1872.3 Ų72.311%0.10939%0.386CS..  trans-90.9-3.8179-69.10000114.7H45 M51 I74 M75 Y78 I87H45-V80 HydrophobicContact CB-CG1 4.07Å; M51-V80 HydrophobicContact CE-CG1 3.73Å; M51-V80 HydrophobicContact SD-CG1 3.75Å; I74-V80 HydrophobicContact CG2-CG1 3.76Å; I74-V80 HydrophobicContact CG2-CG2 4.11Å; M75-V80 HydrophobicContact CG-CG2 4.48Å; Y78-V80 PolarHBondContact O-N 3.5Å; V80-I87 HydrophobicContact CB-CD1 4.21Å; V80-I87 HydrophobicContact CB-CG1 4.11Å; V80-I87 HydrophobicContact CG2-CD1 3.58Å; V80-I87 HydrophobicContact CG2-CG1 3.93Å; V80-I87 HydrophobicContact CG2-CG2 4.35Å
81G90Very high95.1Very high52 Ų5272.3 Ų72.354%0.53639%0.386SS..  trans91.5-179-17500000113.4I87G81-I87 WeakPolarHBondContact O-CD1 3.42Å
82T90.5Very high95.1Very high127 Ų12776 Ų7678%0.77940%0.401SS*.SBendtrans-90.5-18.6-176.5-44.80000112.5T84T82-T84 VanDerWaalsContact C-N 3.29Å; T82-T84 PolarHBondContact O-N 3.1Å; T82-T84 PolarHBondContact O-OG1 3.33Å
83D94Very high95.1Very high112 Ų11271.4 Ų71.460%0.59939%0.39SS*.  trans-70.276.2-173.2-74.5-67.9000114K85 M86 I87D83-K85 PolarHBondContact O-N 3.32Å; D83-M86 HydrophobicContact CB-CB 4.05Å; D83-M86 HydrophobicContact CB-CG 4.1Å; D83-M86 PolarHBondContact O-N 2.91Å; D83-I87 WeakPolarHBondContact O-CG1 3.45Å; D83-I87 PolarHBondContact O-N 3.41Å
84T95.1Very high95.1Very high64 Ų6470.4 Ų70.439%0.39339%0.388SS..Hα-helixtrans-50.6-35.9178.8-59.80000111.7L71 M75 T82 N88L71-T84 HydrophobicContact CD1-CG2 4.23Å; M75-T84 VanDerWaalsContact CE-OG1 3.26Å; M75-T84 WeakPolarHBondContact CE-OG1 3.36Å; M75-T84 HydrophobicContact SD-CG2 4.23Å; T82-T84 VanDerWaalsContact C-N 3.29Å; T82-T84 PolarHBondContact O-N 3.1Å; T82-T84 PolarHBondContact O-OG1 3.33Å; T84-N88 WeakPolarHBondContact O-CB 3.47Å; T84-N88 PolarHBondContact O-N 2.95Å
85K95.8Very high95.1Very high182 Ų18270.4 Ų70.479%0.79139%0.388SS*.Hα-helixtrans-61.3-44.6175.3-67.7176.5-178.1171.60112.4D83 A89D83-K85 PolarHBondContact O-N 3.32Å; K85-A89 PolarHBondContact O-N 3.32Å; K85-A89 VanDerWaalsContact O-N 3.09Å
86M94.8Very high95.1Very high117 Ų11773.3 Ų73.358%0.57640%0.398SS*.Hα-helixtrans-77.3-43.2-177.1-62.7-58170.100112D83 N88 A89 H90D83-M86 HydrophobicContact CB-CB 4.05Å; D83-M86 HydrophobicContact CB-CG 4.1Å; D83-M86 PolarHBondContact O-N 2.91Å; M86-N88 VanDerWaalsContact C-N 3.26Å; M86-N88 PolarHBondContact O-N 3.49Å; M86-A89 WeakPolarHBondContact O-CA 3.33Å; M86-A89 WeakPolarHBondContact O-CB 3.4Å; M86-A89 PolarHBondContact O-N 2.84Å; M86-H90 PolarHBondContact O-N 3.03Å; M86-H90 PolarHBondContact O-ND1 3.09Å
87I96Very high95Very high1 Ų178.4 Ų78.41%0.00540%0.401CS..Hα-helixtrans-53.3-48.1171.2-63.7161.7000109.8Y48 I74 M75 V80 G81 D83 A89 H90 I91Y48-I87 HydrophobicContact CE1-CG2 4.25Å; I74-I87 HydrophobicContact CG2-CG2 4.46Å; M75-I87 HydrophobicContact CG-CD1 4.1Å; M75-I87 HydrophobicContact CG-CG2 4.26Å; V80-I87 HydrophobicContact CB-CD1 4.21Å; V80-I87 HydrophobicContact CB-CG1 4.11Å; V80-I87 HydrophobicContact CG2-CD1 3.58Å; V80-I87 HydrophobicContact CG2-CG1 3.93Å; V80-I87 HydrophobicContact CG2-CG2 4.35Å; G81-I87 WeakPolarHBondContact O-CD1 3.42Å; D83-I87 WeakPolarHBondContact O-CG1 3.45Å; D83-I87 PolarHBondContact O-N 3.41Å; I87-A89 VanDerWaalsContact C-N 3.28Å; I87-A89 PolarHBondContact O-N 3.19Å; I87-H90 PolarHBondContact O-N 3.41Å; I87-I91 HydrophobicContact CG2-CD1 3.85Å; I87-I91 VanDerWaalsContact O-CG1 3.28Å; I87-I91 WeakPolarHBondContact O-CG1 3.46Å; I87-I91 PolarHBondContact O-N 3.02Å
88N96.5Very high95Very high32 Ų3274.8 Ų74.817%0.17138%0.384CS..Hα-helixtrans-69.4-22.8179.9-15715000113.3R67 L71 T84 M86 K92R67-N88 PolarHBondContact NE-O 2.89Å; R67-N88 PolarHBondContact NE-OD1 3.1Å; R67-N88 PolarHBondContact NH1-OD1 3.11Å; R67-N88 PolarHBondContact NH2-ND2 3.41Å; R67-N88 PolarHBondContact NH2-O 3.41Å; R67-N88 PolarHBondContact NH2-OD1 2.97Å; L71-N88 HydrophobicContact CD1-CB 3.55Å; L71-N88 WeakPolarHBondContact CD1-OD1 3.47Å; T84-N88 WeakPolarHBondContact O-CB 3.47Å; T84-N88 PolarHBondContact O-N 2.95Å; M86-N88 VanDerWaalsContact C-N 3.26Å; M86-N88 PolarHBondContact O-N 3.49Å; N88-K92 WeakPolarHBondContact O-CB 3.35Å; N88-K92 PolarHBondContact O-N 3.36Å
89A96.8Very high94.9Very high42 Ų4274.4 Ų74.435%0.34739%0.387SS..Hα-helixtrans-76.7-47.4171.200000111.4K85 M86 I87 I91 K92 S93K85-A89 PolarHBondContact O-N 3.32Å; K85-A89 VanDerWaalsContact O-N 3.09Å; M86-A89 WeakPolarHBondContact O-CA 3.33Å; M86-A89 WeakPolarHBondContact O-CB 3.4Å; M86-A89 PolarHBondContact O-N 2.84Å; I87-A89 VanDerWaalsContact C-N 3.28Å; I87-A89 PolarHBondContact O-N 3.19Å; A89-I91 PolarHBondContact O-N 2.84Å; A89-K92 WeakPolarHBondContact O-CB 3.34Å; A89-K92 PolarHBondContact O-N 3Å; A89-K92 VanDerWaalsContact O-N 3.1Å; A89-S93 PolarHBondContact O-N 3.47Å; A89-S93 PolarHBondContact O-OG 2.97Å
90H96.3Very high94.9Very high96 Ų9670.9 Ų70.944%0.44439%0.388SS..Hα-helixtrans-58.7-45.5175.1-69128.9000112.2Y48 M86 I87 K92 S93 A94Y48-H90 HydrophobicContact CD1-CB 3.48Å; Y48-H90 VanDerWaalsContact CD1-CB 3.48Å; Y48-H90 HydrophobicContact CD2-CB 3.8Å; Y48-H90 HydrophobicContact CE1-CB 3.47Å; Y48-H90 VanDerWaalsContact CE1-CB 3.47Å; Y48-H90 HydrophobicContact CE2-CB 3.81Å; Y48-H90 AromaticContact CE2-CG 3.87Å; Y48-H90 AromaticContact CE2-ND1 3.79Å; Y48-H90 HydrophobicContact CG-CB 3.63Å; Y48-H90 AromaticContact CZ-CG 3.92Å; Y48-H90 AromaticContact CZ-ND1 3.7Å; M86-H90 PolarHBondContact O-N 3.03Å; M86-H90 PolarHBondContact O-ND1 3.09Å; I87-H90 PolarHBondContact O-N 3.41Å; H90-K92 VanDerWaalsContact C-N 3.33Å; H90-K92 PolarHBondContact O-N 3.34Å; H90-S93 PolarHBondContact O-N 3.41Å; H90-A94 WeakPolarHBondContact O-CB 3.22Å; H90-A94 PolarHBondContact O-N 2.98Å
91I97.1Very high94.8Very high0 Ų075.2 Ų75.20%041%0.414CS..Hα-helixtrans-60.1-41.4173.8-64.8167.1000111.1Y48 V52 R67 L70 L71 I74 I87 A89 S93 A94 L95Y48-I91 HydrophobicContact CD1-CG1 3.89Å; Y48-I91 HydrophobicContact CE1-CG1 4.18Å; V52-I91 HydrophobicContact CG2-CG2 4.29Å; R67-I91 HydrophobicContact CG-CG2 4.1Å; L70-I91 HydrophobicContact CB-CG2 4.45Å; L71-I91 HydrophobicContact CB-CD1 4.05Å; I74-I91 HydrophobicContact CB-CD1 4.48Å; I74-I91 HydrophobicContact CD1-CD1 3.82Å; I74-I91 HydrophobicContact CD1-CG1 3.94Å; I87-I91 HydrophobicContact CG2-CD1 3.85Å; I87-I91 VanDerWaalsContact O-CG1 3.28Å; I87-I91 WeakPolarHBondContact O-CG1 3.46Å; I87-I91 PolarHBondContact O-N 3.02Å; A89-I91 PolarHBondContact O-N 2.84Å; I91-S93 VanDerWaalsContact C-N 3.32Å; I91-S93 PolarHBondContact O-N 2.92Å; I91-A94 PolarHBondContact O-N 2.82Å; I91-L95 HydrophobicContact CG2-CD1 3.81Å; I91-L95 HydrophobicContact CG2-CG 4.27Å; I91-L95 WeakPolarHBondContact O-CB 3.28Å; I91-L95 VanDerWaalsContact O-CG 3.23Å; I91-L95 WeakPolarHBondContact O-CG 3.22Å; I91-L95 PolarHBondContact O-N 3.09Å
92K96.6Very high94.9Very high100 Ų10074.6 Ų74.644%0.43541%0.408SS..Hα-helixtrans-59.6-43.2176.6-164.9-165.6-60178.80111.1R67 N88 A89 H90 K96 A112R67-K92 VanDerWaalsContact NH2-CE 3.32Å; N88-K92 WeakPolarHBondContact O-CB 3.35Å; N88-K92 PolarHBondContact O-N 3.36Å; A89-K92 WeakPolarHBondContact O-CB 3.34Å; A89-K92 PolarHBondContact O-N 3Å; A89-K92 VanDerWaalsContact O-N 3.1Å; H90-K92 VanDerWaalsContact C-N 3.33Å; H90-K92 PolarHBondContact O-N 3.34Å; K92-K96 WeakPolarHBondContact O-CG 3.43Å; K92-K96 PolarHBondContact O-N 3.46Å; K92-K96 VanDerWaalsContact O-N 3.1Å; K92-A112 HydrophobicContact CG-CB 3.63Å
93S97Very high95Very high66 Ų6670.8 Ų70.846%0.46239%0.389SS..Hα-helixtrans-70.7-42.4178.5-66.40000112.7A89 H90 I91 L95 K96 R97A89-S93 PolarHBondContact O-N 3.47Å; A89-S93 PolarHBondContact O-OG 2.97Å; H90-S93 PolarHBondContact O-N 3.41Å; I91-S93 VanDerWaalsContact C-N 3.32Å; I91-S93 PolarHBondContact O-N 2.92Å; S93-L95 PolarHBondContact O-N 3.35Å; S93-K96 PolarHBondContact O-N 3.37Å; S93-R97 WeakPolarHBondContact O-CG 3.41Å; S93-R97 PolarHBondContact O-N 3.04Å
94A96.3Very high95Very high9 Ų965.9 Ų65.97%0.07436%0.363CS..Hα-helixtrans-59.8-44.817500000111.5H90 I91 R97 G98H90-A94 WeakPolarHBondContact O-CB 3.22Å; H90-A94 PolarHBondContact O-N 2.98Å; I91-A94 PolarHBondContact O-N 2.82Å; A94-R97 PolarHBondContact O-N 3.02Å; A94-G98 PolarHBondContact O-N 2.95Å
95L96.6Very high94.9Very high0 Ų070.1 Ų70.10%038%0.376CS..Hα-helixtrans-62.7-44.2175.5-70.3170.4000112.7V52 R67 L70 I91 S93 R97 V99 L104 F116V52-L95 HydrophobicContact CG1-CD2 3.95Å; R67-L95 HydrophobicContact CB-CD1 3.91Å; R67-L95 HydrophobicContact CG-CD1 3.98Å; L70-L95 HydrophobicContact CD1-CD1 4.24Å; L70-L95 HydrophobicContact CD1-CD2 3.89Å; I91-L95 HydrophobicContact CG2-CD1 3.81Å; I91-L95 HydrophobicContact CG2-CG 4.27Å; I91-L95 WeakPolarHBondContact O-CB 3.28Å; I91-L95 VanDerWaalsContact O-CG 3.23Å; I91-L95 WeakPolarHBondContact O-CG 3.22Å; I91-L95 PolarHBondContact O-N 3.09Å; S93-L95 PolarHBondContact O-N 3.35Å; L95-R97 VanDerWaalsContact C-N 3.34Å; L95-R97 PolarHBondContact O-N 2.8Å; L95-V99 WeakPolarHBondContact O-CG2 3.36Å; L95-V99 PolarHBondContact O-N 2.76Å; L95-L104 HydrophobicContact CD2-CD1 3.83Å; L95-F116 HydrophobicContact CB-CE1 4.43Å; L95-F116 HydrophobicContact CB-CZ 4.32Å; L95-F116 HydrophobicContact CD1-CD2 4.2Å; L95-F116 HydrophobicContact CD1-CE2 3.75Å; L95-F116 HydrophobicContact CD1-CZ 4.12Å; L95-F116 HydrophobicContact CD2-CB 4.39Å; L95-F116 HydrophobicContact CD2-CD1 4.03Å; L95-F116 HydrophobicContact CD2-CD2 3.71Å; L95-F116 HydrophobicContact CD2-CE1 4.25Å; L95-F116 HydrophobicContact CD2-CE2 3.97Å; L95-F116 HydrophobicContact CD2-CG 3.76Å; L95-F116 HydrophobicContact CD2-CZ 4.24Å; L95-F116 HydrophobicContact CG-CE2 4.35Å; L95-F116 HydrophobicContact CG-CZ 4.47Å
96K95.2Very high94.8Very high137 Ų13763.7 Ų63.760%0.59635%0.351SS*.Hα-helixtrans-58.7-45.3174.3-75.8-176.669179.60111.7K92 S93 A100 A112K92-K96 WeakPolarHBondContact O-CG 3.43Å; K92-K96 PolarHBondContact O-N 3.46Å; K92-K96 VanDerWaalsContact O-N 3.1Å; S93-K96 PolarHBondContact O-N 3.37Å; K96-A100 WeakPolarHBondContact O-CB 3.47Å; K96-A100 PolarHBondContact O-N 2.76Å; K96-A100 VanDerWaalsContact O-N 3.11Å; K96-A112 HydrophobicContact CG-CB 4.07Å
97R94.9Very high94.8Very high187 Ų18761.2 Ų61.271%0.70634%0.342SS*.Hα-helixtrans-68.3-47-179.3-68.217682.2171.85111.5S93 A94 L95 V99 A100 T101S93-R97 WeakPolarHBondContact O-CG 3.41Å; S93-R97 PolarHBondContact O-N 3.04Å; A94-R97 PolarHBondContact O-N 3.02Å; L95-R97 VanDerWaalsContact C-N 3.34Å; L95-R97 PolarHBondContact O-N 2.8Å; R97-V99 VanDerWaalsContact C-N 3.34Å; R97-V99 PolarHBondContact O-N 2.95Å; R97-A100 PolarHBondContact O-N 2.87Å; R97-A100 VanDerWaalsContact O-N 3.1Å; R97-T101 PolarHBondContact O-N 3.04Å; R97-T101 PolarHBondContact O-OG1 3.41Å
98G94.5Very high94.6Very high10 Ų1068.8 Ų68.810%0.10338%0.375CS..Hα-helixtrans-63.5-33.7179.300000114.2A94 T101 G102 A103 L104A94-G98 PolarHBondContact O-N 2.95Å; G98-T101 PolarHBondContact O-OG1 3.32Å; G98-G102 CarbonylContact O-C 3.46Å; G98-G102 PolarHBondContact O-N 2.89Å; G98-A103 PolarHBondContact O-N 2.87Å; G98-L104 PolarHBondContact O-N 3.06Å
99V94.2Very high94.5Very high49 Ų4969.4 Ų69.430%0.29739%0.389SS..Hα-helixtrans-74.2-34.4172.2174.10000111.8L95 R97 G102 L104 F116L95-V99 WeakPolarHBondContact O-CG2 3.36Å; L95-V99 PolarHBondContact O-N 2.76Å; R97-V99 VanDerWaalsContact C-N 3.34Å; R97-V99 PolarHBondContact O-N 2.95Å; V99-G102 PolarHBondContact O-N 3.37Å; V99-L104 HydrophobicContact CG2-CB 4.16Å; V99-F116 HydrophobicContact CG2-CD1 3.83Å; V99-F116 HydrophobicContact CG2-CE1 3.81Å
100A92.6Very high94.3Very high88 Ų8873.2 Ų73.273%0.72741%0.408SS*.Hα-helixtrans-71.2-33.4176.500000113.2K96 R97K96-A100 WeakPolarHBondContact O-CB 3.47Å; K96-A100 PolarHBondContact O-N 2.76Å; K96-A100 VanDerWaalsContact O-N 3.11Å; R97-A100 PolarHBondContact O-N 2.87Å; R97-A100 VanDerWaalsContact O-N 3.1Å
101T91.4Very high94Very high108 Ų10870.6 Ų70.666%0.66341%0.407SS*.SBendtrans-85.1-5.4175.258.60000113.9R97 G98 A103R97-T101 PolarHBondContact O-N 3.04Å; R97-T101 PolarHBondContact O-OG1 3.41Å; G98-T101 PolarHBondContact O-OG1 3.32Å; T101-A103 PolarHBondContact O-N 3.02Å
102G90.7Very high93.7Very high39 Ų3971.4 Ų71.440%0.40241%0.414SS..SBendtrans80-8.8-175.600000115.3G98 V99 L104G98-G102 CarbonylContact O-C 3.46Å; G98-G102 PolarHBondContact O-N 2.89Å; V99-G102 PolarHBondContact O-N 3.37Å; G102-L104 PolarHBondContact O-N 2.97Å; G102-L104 VanDerWaalsContact O-N 3.12Å
103A92.3Very high93.5Very high47 Ų4771.2 Ų71.239%0.38843%0.425SS..SBendtrans-62.3-17.4178.400000114.1G98 T101 G119G98-A103 PolarHBondContact O-N 2.87Å; T101-A103 PolarHBondContact O-N 3.02Å; A103-G119 WeakPolarHBondContact O-CA 3.39Å; A103-G119 PolarHBondContact O-N 3.14Å
104L94.2Very high93.4Very high10 Ų1069 Ų695%0.05241%0.413CS..EExtended strand (participates in β ladder)trans-130.4133.5173.7-62.3179.5000111.1V52 V53 L56 L95 G98 V99 G102V52-L104 HydrophobicContact CG1-CD1 3.97Å; V53-L104 HydrophobicContact CG2-CD2 4.29Å; L56-L104 HydrophobicContact CD1-CD2 3.42Å; L56-L104 VanDerWaalsContact CD1-CD2 3.42Å; L95-L104 HydrophobicContact CD2-CD1 3.83Å; G98-L104 PolarHBondContact O-N 3.06Å; V99-L104 HydrophobicContact CG2-CB 4.16Å; G102-L104 PolarHBondContact O-N 2.97Å; G102-L104 VanDerWaalsContact O-N 3.12Å
105K93.3Very high93.4Very high152 Ų15273.4 Ų73.466%0.66143%0.427SS*.EExtended strand (participates in β ladder)trans-99.2118176.2-170.4170.7-177.9175.40110.8F116 R117K105-F116 WeakPolarHBondContact O-CA 3.36Å; K105-R117 PolarHBondContact N-O 3.46Å; K105-R117 PolarHBondContact O-N 2.85Å
106L93.9Very high93.3Very high48 Ų4873.4 Ų73.425%0.25143%0.427SS..EExtended strand (participates in β ladder)trans-70.3123.6170.917965.8000109.7K108 G109 F116L106-K108 WeakPolarHBondContact CD1-O 3.4Å; L106-G109 WeakPolarHBondContact CD2-O 3.02Å; L106-F116 HydrophobicContact CD1-CD1 4.1Å; L106-F116 HydrophobicContact CD1-CE1 3.64Å; L106-F116 HydrophobicContact CD1-CZ 4.05Å
107T94Very high93.3Very high65 Ų6573 Ų7340%0.39942%0.422SS..EExtended strand (participates in β ladder)trans-102.6-34.2-178.156.80000113.4G63 R115 R117G63-T107 WeakPolarHBondContact O-CB 3.23Å; G63-T107 PolarHBondContact O-OG1 2.96Å; T107-R115 PolarHBondContact N-O 3.19Å; T107-R115 VanDerWaalsContact OG1-CB 3.28Å; T107-R115 WeakPolarHBondContact OG1-CB 3.45Å; T107-R115 PolarHBondContact OG1-O 3.24Å; T107-R115 VanDerWaalsContact OG1-O 3.06Å; T107-R117 HydrophobicContact CG2-CB 4.34Å; T107-R117 HydrophobicContact CG2-CG 3.76Å
108K92.9Very high93.2Very high159 Ų15966.4 Ų66.469%0.69140%0.403SS*.EExtended strand (participates in β ladder)trans-149.5142176.3-174.5170.3-176.1172.30109.7L106 G114 R115L106-K108 WeakPolarHBondContact CD1-O 3.4Å; K108-G114 CarbonylContact O-C 3.5Å; K108-G114 WeakPolarHBondContact O-CA 3.4Å; K108-R115 PolarHBondContact O-N 3.31Å
109G94.3Very high92.8Very high45 Ų4566.5 Ų66.546%0.46440%0.403SS..EExtended strand (participates in β ladder)trans96.6-166.1-179.300000113.4L106 S113L106-G109 WeakPolarHBondContact CD2-O 3.02Å; G109-S113 CarbonylContact C-O 3.31Å; G109-S113 WeakPolarHBondContact CA-O 3.43Å
110T91.9Very high91.7Very high122 Ų12270.3 Ų70.375%0.74842%0.418SS*.EExtended strand (participates in β ladder)trans-138.8132.2-172.2-61.60000110.7A112 S113T110-A112 PolarHBondContact O-N 2.86Å; T110-S113 PolarHBondContact N-O 3.19Å; T110-S113 PolarHBondContact O-N 3.16Å; T110-S113 VanDerWaalsContact O-N 3.14Å
111G89.6Confident90Very high42 Ų4272.1 Ų72.143%0.43342%0.422SS..THydrogen-bonded Turntrans61.4-126.6-179.900000112.3
112A90.9Very high87.9Confident16 Ų1673.2 Ų73.213%0.13242%0.418CS..THydrogen-bonded Turntrans-86.1-3.7177.500000114.2K92 K96 T110K92-A112 HydrophobicContact CG-CB 3.63Å; K96-A112 HydrophobicContact CG-CB 4.07Å; T110-A112 PolarHBondContact O-N 2.86Å
113S92.9Very high85.9Confident96 Ų9674 Ų7467%0.67143%0.426SS*.EExtended strand (participates in β ladder)trans-100100.8176.5-167.60000109.1G109 T110G109-S113 CarbonylContact C-O 3.31Å; G109-S113 WeakPolarHBondContact CA-O 3.43Å; T110-S113 PolarHBondContact N-O 3.19Å; T110-S113 PolarHBondContact O-N 3.16Å; T110-S113 VanDerWaalsContact O-N 3.14Å
114G94.2Very high83.6Confident20 Ų2078 Ų7821%0.20645%0.448CS..EExtended strand (participates in β ladder)trans172.4-168.9-17400000115.7S66 K108 F116S66-G114 WeakPolarHBondContact CA-O 3.48Å; K108-G114 CarbonylContact O-C 3.5Å; K108-G114 WeakPolarHBondContact O-CA 3.4Å; G114-F116 WeakPolarHBondContact O-CE2 3.47Å
115R96.4Very high81.6Confident102 Ų10282.9 Ų82.939%0.38548%0.478SS..EExtended strand (participates in β ladder)trans-107.9142167.2-76.2-177.4167.3-157.5-14.2109.7E61 G64 S65 T107 K108E61-R115 IonicContact OE2-NH2 2.62Å; G64-R115 WeakPolarHBondContact O-CD 3.26Å; G64-R115 WeakPolarHBondContact O-CG 3.44Å; S65-R115 WeakPolarHBondContact O-CA 3.48Å; T107-R115 PolarHBondContact N-O 3.19Å; T107-R115 VanDerWaalsContact OG1-CB 3.28Å; T107-R115 WeakPolarHBondContact OG1-CB 3.45Å; T107-R115 PolarHBondContact OG1-O 3.24Å; T107-R115 VanDerWaalsContact OG1-O 3.06Å; K108-R115 PolarHBondContact O-N 3.31Å
116F96.2Very high79.4Confident0 Ų081.1 Ų81.10%048%0.48CS..EExtended strand (participates in β ladder)trans-128.3148.3-174.6-52.8-91.2000109.8L56 G64 S65 L95 V99 K105 L106 G114L56-F116 HydrophobicContact CD2-CB 4.38Å; L56-F116 WeakPolarHBondContact CD2-O 3.4Å; G64-F116 CarbonylContact C-O 3.52Å; G64-F116 VanDerWaalsContact C-O 3.31Å; G64-F116 WeakPolarHBondContact CA-O 3.47Å; S65-F116 PolarHBondContact N-O 3.39Å; S65-F116 VanDerWaalsContact N-O 3.12Å; S65-F116 PolarHBondContact O-N 2.83Å; L95-F116 HydrophobicContact CB-CE1 4.43Å; L95-F116 HydrophobicContact CB-CZ 4.32Å; L95-F116 HydrophobicContact CD1-CD2 4.2Å; L95-F116 HydrophobicContact CD1-CE2 3.75Å; L95-F116 HydrophobicContact CD1-CZ 4.12Å; L95-F116 HydrophobicContact CD2-CB 4.39Å; L95-F116 HydrophobicContact CD2-CD1 4.03Å; L95-F116 HydrophobicContact CD2-CD2 3.71Å; L95-F116 HydrophobicContact CD2-CE1 4.25Å; L95-F116 HydrophobicContact CD2-CE2 3.97Å; L95-F116 HydrophobicContact CD2-CG 3.76Å; L95-F116 HydrophobicContact CD2-CZ 4.24Å; L95-F116 HydrophobicContact CG-CE2 4.35Å; L95-F116 HydrophobicContact CG-CZ 4.47Å; V99-F116 HydrophobicContact CG2-CD1 3.83Å; V99-F116 HydrophobicContact CG2-CE1 3.81Å; K105-F116 WeakPolarHBondContact O-CA 3.36Å; L106-F116 HydrophobicContact CD1-CD1 4.1Å; L106-F116 HydrophobicContact CD1-CE1 3.64Å; L106-F116 HydrophobicContact CD1-CZ 4.05Å; G114-F116 WeakPolarHBondContact O-CE2 3.47Å
117R94.4Very high77.2Confident129 Ų12988.6 Ų88.649%0.48751%0.51SS..EExtended strand (participates in β ladder)trans-121.2157165.2-67.9176.674.6135.4-5.3108.3H62 K105 T107 G119H62-R117 PolarHBondContact O-NH1 3.47Å; K105-R117 PolarHBondContact N-O 3.46Å; K105-R117 PolarHBondContact O-N 2.85Å; T107-R117 HydrophobicContact CG2-CB 4.34Å; T107-R117 HydrophobicContact CG2-CG 3.76Å; R117-G119 PolarHBondContact O-N 3.18Å
118V93.4Very high75.1Confident48 Ų4889.4 Ų89.429%0.29152%0.524SS..EExtended strand (participates in β ladder)trans-54.3128.3168.2-176.50000107.8V53 L56 R57V53-V118 HydrophobicContact CG1-CG2 4.49Å; L56-V118 HydrophobicContact CB-CG2 3.69Å; L56-V118 HydrophobicContact CD1-CG2 4.32Å; R57-V118 HydrophobicContact CG-CG2 4.09Å
119G85.6Confident73Confident12 Ų1291.5 Ų91.512%0.12453%0.533CS..PPolyproline II helixtrans-73.8125.7170.100000108.4A103 R117A103-G119 WeakPolarHBondContact O-CA 3.39Å; A103-G119 PolarHBondContact O-N 3.14Å; R117-G119 PolarHBondContact O-N 3.18Å
120E71.7Confident70.9Confident128 Ų12898.1 Ų98.160%0.59855%0.549SS*.PPolyproline II helixtrans-62134.7157.4-158.2-174.6115.400107.1K122E120-K122 PolarHBondContact O-N 3.04Å; E120-K122 WeakPolarHBondContact OE1-CE 3.36Å; E120-K122 IonicContact OE1-NZ 3.66Å; E120-K122 PolarHBondContact OE1-NZ 3.14Å; E120-K122 IonicContact OE2-NZ 3.91Å
121P55.5Low68.8Low127 Ų12798 Ų9883%0.82555%0.55SS**  trans-75.352.7-171.931.7-37.2000113G123P121-G123 PolarHBondContact O-N 3.23Å
122K48.5Very low66.8Low130 Ų130105.6 Ų105.657%0.56557%0.571SS**  trans-72.8118.2167-80.6167.9164.8141.50107.9E120E120-K122 PolarHBondContact O-N 3.04Å; E120-K122 WeakPolarHBondContact OE1-CE 3.36Å; E120-K122 IonicContact OE1-NZ 3.66Å; E120-K122 PolarHBondContact OE1-NZ 3.14Å; E120-K122 IonicContact OE2-NZ 3.91Å
123G48.2Very low65Low55 Ų55109.4 Ų109.457%0.56760%0.603SS**THydrogen-bonded Turntrans-51.816317900000113.1P121 V125P121-G123 PolarHBondContact O-N 3.23Å; G123-V125 PolarHBondContact O-N 2.81Å
124P44.4Very low63.1Low132 Ų132110.9 Ų110.986%0.85761%0.61SS**THydrogen-bonded Turntrans-51.590.6-151.719.1-34.1000114.9T126P124-T126 PolarHBondContact O-N 3.04Å
125V51.2Low60.8Low112 Ų112119.5 Ų119.568%0.67964%0.642SS**  trans-75.871177.7-83.60000111.9G123 K127G123-V125 PolarHBondContact O-N 2.81Å; V125-K127 PolarHBondContact O-N 3.21Å; V125-K127 VanDerWaalsContact O-N 3.14Å
126T47Very low58.5Low115 Ų115124.4 Ų124.471%0.70667%0.666SS**  4462.9126.6520000116.7P124 A128P124-T126 PolarHBondContact O-N 3.04Å; T126-A128 PolarHBondContact O-N 3.04Å
127K49.2Very low56Low205 Ų205133.5 Ų133.589%0.89171%0.706SS**  trans-71.553.6149.3-76.3-164.5173.9-174.80111.3V125 K129V125-K127 PolarHBondContact O-N 3.21Å; V125-K127 VanDerWaalsContact O-N 3.14Å; K127-K129 VanDerWaalsContact C-N 3.29Å; K127-K129 PolarHBondContact O-N 3.07Å
128A48.7Very low53.8Low83 Ų83133.1 Ų133.169%0.68672%0.718SS**  trans-79.370.1-178.300000111.2T126 K130T126-A128 PolarHBondContact O-N 3.04Å; A128-K130 PolarHBondContact O-N 2.96Å
129K49.1Very low51.8Low203 Ų203136.1 Ų136.188%0.88374%0.737SS**  trans-68110.1161.3-95.5-164.3168.8-167.40108.4K127K127-K129 VanDerWaalsContact C-N 3.29Å; K127-K129 PolarHBondContact O-N 3.07Å
130K50Low49.9Very low184 Ų184142 Ų14280%0.877%0.77SS**  trans-48.2145160.9-78.8171.81721710109.2A128A128-K130 PolarHBondContact O-N 2.96Å
131P48.6Very low48.7Very low119 Ų119140.3 Ų140.377%0.77378%0.778SS**  -93.5154.561.530.8-36.4000114
132K46.9Very low48.1Very low201 Ų201138.8 Ų138.887%0.87478%0.776SS**  cis67.266.545.8-95.3-162.4173-169.60114.1
133A54.1Low47.9Very low96 Ų96140.9 Ų140.979%0.79379%0.785SS**  trans-148.4142150.100000108.6
134P52.6Low47.8Very low127 Ų127144.8 Ų144.883%0.82580%0.801SS**  trans-88.9147.8-167.633.6-35.1000114.2
135K45Very low48Very low201 Ų201149.5 Ų149.587%0.87480%0.801SS**  trans-77.2116164.7-66.2177.9177.5-179.50109.4
136K47.7Very low47.8Very low205 Ų205148.5 Ų148.589%0.89181%0.805SS**  trans-84.7121.5154.7-91.8-169.8171.8-175.20108.9
137K44.3Very low47.9Very low192 Ų192152 Ų15284%0.83581%0.81SS**  trans-92.3127.2162.4-64.6177.9179.3-179.70107.7
138T48.5Very low47.6Very low121 Ų121151.3 Ų151.374%0.74281%0.807SS**  trans-159.2101150.239.30000105.9
139T51Low47.6Very low111 Ų111152.8 Ų152.868%0.68181%0.808SS**  63104.373.666.90000114.1
140T46Very low47.6Very low134 Ų134148.7 Ų148.782%0.82280%0.8SS**  trans60.2123.7138.153.20000122
141A46.1Very low47.4Very low94 Ų94146 Ų14678%0.77780%0.799SS**  trans80.297.9131.900000121.5
142A42.5Very low47.4Very low94 Ų94144.3 Ų144.378%0.77780%0.795SS**  79.1153.1122.100000122.2
143K45.2Very low47.3Very low175 Ų175141 Ų14176%0.76179%0.792SS**  trans60.5114.2166.7-76.4175.4174.71690118.8
144P45.8Very low47.1Very low137 Ų137144.3 Ų144.389%0.8979%0.791SS**  trans-77.6121.7131.732.6-27.3000109.3
145R48.7Very low46.9Very low230 Ų230143.8 Ų143.887%0.86879%0.785SS**  trans-136.9130.6160.7-154.8-178.2-167.5-150.44.2107.9
146A48.2Very low46.9Very low91 Ų91138.7 Ų138.775%0.75278%0.781SS**  trans-88.6170.2-165.900000113.9
147K47.7Very low46.9Very low189 Ų189133.6 Ų133.682%0.82278%0.776SS**  trans80.9117167.8-60.3179.9177.8178.30117.6
148K43.6Very low46.8Very low191 Ų191130 Ų13083%0.8378%0.776SS**  trans70.4142.9136.5-63.8-174.4172-168.70117.3
149T47.5Very low46.8Very low114 Ų114132.7 Ų132.770%0.69978%0.78SS**  cis-160.8160.90.36.70000112.6
150T50.4Low46.7Very low117 Ų117132.3 Ų132.372%0.71878%0.782SS**  trans65.1139148.447.70000123.2
151T45Very low47Very low127 Ų127131.6 Ų131.678%0.77978%0.782SS**  trans60.9121.6156.942.40000118.1
152A48.9Very low46.9Very low84 Ų84131.6 Ų131.669%0.69478%0.782SS**  65.5132.76600000112.2
153T44.8Very low47.1Very low132 Ų132136.9 Ų136.981%0.8179%0.788SS**  cis-150.1-170.47.6-3.80000108.2
154H50.1Low47.2Very low165 Ų165132.8 Ų132.876%0.76479%0.786SS**  cis-141.3-1209.6-159.8-161.8000113.4
155V47.7Very low47.4Very low116 Ų116136 Ų13670%0.70379%0.786SS**  trans-145.7-172.3-166.1-60.60000114.3
156A45.9Very low47.3Very low94 Ų94134.5 Ų134.578%0.77779%0.786SS**  trans80.5135170.900000117.4
157A46.1Very low47.3Very low97 Ų97134.8 Ų134.880%0.80279%0.788SS**  cis108160.811.100000115.2
158S44.2Very low47.7Very low118 Ų118136.2 Ų136.283%0.82579%0.794SS**  trans75157.9-174.8-166.70000116.2
159E47.7Very low48.1Very low176 Ų176137.1 Ų137.182%0.82280%0.798SS**  -169.3177.4-61.5-117.7-161.7119.700110.4
160S49.1Very low48.1Very low103 Ų103137 Ų13772%0.7280%0.799SS**  trans56.1122.6151.2-1620000122.3
161S51.7Low48.1Very low120 Ų120140.9 Ų140.984%0.83981%0.806SS**  160.8170103.961.30000112.8
162A45.3Very low48.5Very low93 Ų93141 Ų14177%0.76981%0.807SS**  trans-142146.6-17200000115.1
163K44.7Very low48.7Very low206 Ų206143.4 Ų143.490%0.89681%0.813SS**  trans-163.5127.9157.5-95.6134.2-177.9172.40106.9
164A49.2Very low49.5Very low88 Ų88146.2 Ų146.273%0.72781%0.814SS**  cis79.9109.337.600000114.9
165K48.6Very low49.3Very low206 Ų206144.2 Ų144.290%0.89682%0.816SS**  trans179.4144143.7-102.3158.3-173.91790115.3
166K46.1Very low49.3Very low198 Ų198148.3 Ų148.386%0.86182%0.824SS**  trans39.5115.3148.3-98.2166169.8174.50119.1
167A49.7Very low49.4Very low96 Ų96147.9 Ų147.979%0.79382%0.821SS**  71.6118.350.200000116.3
168K55.4Low49.6Very low219 Ų219148.5 Ų148.595%0.95283%0.826SS**  trans-138.4156.4162.5-88.9-169.6173.9-177.60110.4
169K52.7Low49.9Very low211 Ų211146.4 Ų146.492%0.91782%0.823SS**  trans-100.6170.1-165.2-94.4-177.9174.6-179.50114.5
170P47.9Very low49.9Very low111 Ų111144 Ų14472%0.72182%0.822SS**  trans-107.9-174.1-169.242.5-37000115.8
171K49.2Very low49.9Very low198 Ų198144.1 Ų144.186%0.86182%0.824SS**  trans77.4116.7166.8-68.1-174.8175.4-177.60119.5
172T54.1Low49.7Very low129 Ų129147.3 Ų147.379%0.79182%0.823SS**  trans-163.1140.9140.590000112.5
173T53.4Low50Low136 Ų136149.4 Ų149.483%0.83483%0.825SS**  trans58.7143.3162.8660000117.7
174K61.5Low50.2Low190 Ų190149.2 Ų149.283%0.82682%0.824SS**  cis-165.6127.133.9175.8178.9-179.1174.40111.3
175P45Very low50.2Low124 Ų124153.5 Ų153.581%0.80583%0.827SS**  trans-125.8113.216534.4-20.3000113.5
176K48Very low50.4Low201 Ų201149.9 Ų149.987%0.87482%0.824SS**  trans-179.4149.5166.9-109.6179.2179-179.70107.5
177A47.1Very low50.5Low86 Ų86146 Ų14671%0.71182%0.818SS**  cis-156169.51.800000111.9
178A51.1Low50.5Low110 Ų110151.3 Ų151.391%0.90982%0.823SS**  trans50.9133146.400000122
179G50.8Low50.2Low74 Ų74145.4 Ų145.476%0.76382%0.815SS**  trans151.572.7156.500000118.1
180P48.2Very low50.1Low124 Ų124139.9 Ų139.981%0.80581%0.808SS**  trans-139.8113.7150.434.8-18.7000114.6
181S47.9Very low50.2Low107 Ų107144.1 Ų144.175%0.74882%0.815SS**  trans-168.2150157.2-94.80000113.4
182K47.9Very low50.3Low187 Ų187140 Ų14081%0.81381%0.811SS**  trans21.9136.7141.4-52.9172.7-171.71740116.8
183V50.8Low50.1Low136 Ų136143.4 Ų143.482%0.82482%0.815SS**  cis-151.2-171.331-123.60000108.6
184K50.7Low50Low202 Ų202141.5 Ų141.588%0.87881%0.813SS**  cis-133.5179.616.7-68.1-178.9179.4-174.90111.5
185K48.8Very low49.4Very low178 Ų178138.5 Ų138.577%0.77481%0.813SS**  trans-130.9149169174.8164.3174-170.50105.4
186P53.3Low49.6Very low131 Ų131142.6 Ų142.685%0.85182%0.818SS**  -150.6-179.191.838.7-17.2000117.2
187T46.2Very low50Low117 Ų117142.9 Ų142.972%0.71882%0.82SS**  trans-102.3145.7-161.345.50000115.8
188K50.4Low50.5Low207 Ų207144.2 Ų144.290%0.982%0.821SS**  trans-162108.2146-147.2164.7-177175.90107.2
189A50.2Low50.5Low95 Ų95148.8 Ų148.879%0.78582%0.82SS**  92146.658.800000113.9
190A50.1Low50.5Low94 Ų94150 Ų15078%0.77782%0.823SS**  trans81.194.6167.900000121.9
191K50Low50.8Low201 Ų201150.1 Ų150.187%0.87482%0.824SS**  56.8124.2124.1-66.2-179.7176.2179.80123
192S51.2Low50.9Low111 Ų111154.8 Ų154.878%0.77683%0.831SS**  trans76152.4147.184.50000117.9
193K48.9Very low51.1Low201 Ų201150.2 Ų150.287%0.87483%0.828SS**  cis-125.4156.98.4-65.9174.9-179.1176.60112.2
194A52.3Low51.2Low96 Ų96153.7 Ų153.779%0.79383%0.832SS**  trans-90.4159.5-178.200000113.4
195P48.6Very low51.2Low127 Ų127153.8 Ų153.883%0.82583%0.832SS**  trans-87.5162-172.235.5-36.6000114.2
196K50Low51.5Low209 Ų209151.4 Ų151.491%0.90984%0.835SS**  trans-125.6128.9168.1-73.4-173.5175.1-1770111.5
197K55.5Low51.5Low208 Ų208149 Ų14990%0.90483%0.827SS**  trans-114.1134.9162.6-73.6-177.8177.5178.80109.3
198P57.8Low52Low114 Ų114150.5 Ų150.574%0.7484%0.836SS**  trans-104.3131.6141.9-2.923.6000108.4
199K50.8Low52.2Low205 Ų205145.2 Ų145.289%0.89183%0.83SS**  56.5112.380.1-71.5-169.3175-175.40112.9
200A51.3Low52.9Low100 Ų100149.8 Ų149.883%0.82683%0.833SS**  trans-98.8152.6174.800000111.6
201P54.3Low53.5Low127 Ų127151.7 Ų151.783%0.82584%0.837SS**  trans-111.9172153.236.1-27.3000112.2
202K50.1Low53.8Low205 Ų205152.1 Ų152.189%0.89184%0.839SS**  trans-89.5165.4-175.9-68174177.5173.80113
203A52.4Low54Low91 Ų91156.7 Ų156.775%0.75285%0.845SS**  trans69.9116.2153.200000119.5
204K51.7Low54.6Low208 Ų208151.7 Ų151.790%0.90484%0.84SS**  -165.4136.7106.4-95.7160-171.8-177.40109.8
205K50.9Low55Low205 Ų205153.1 Ų153.189%0.89184%0.842SS**  trans-88.5154.4161.6-73.3-177.3177.51780108.1
206P56Low55.5Low127 Ų127151.9 Ų151.983%0.82584%0.842SS**  -125.5175.7116.136.2-31.9000112.3
207A53.3Low56.1Low82 Ų82151.2 Ų151.268%0.67884%0.839SS**  trans-116.7-166.8176.600000110.5
208T57.5Low55.9Low148 Ų148150.6 Ų150.691%0.90884%0.837SS**  trans76.1150.1-173.178.40000113.9
209A54.2Low55.9Low95 Ų95151.8 Ų151.879%0.78584%0.842SS**  cis-121.8149.78.600000114.4
210K64Low56.4Low192 Ų192150.2 Ų150.284%0.83587%0.867SS**  trans-112147.5154.2-75-174.3175.4-177.50107.4
211P64Low56.7Low133 Ų133152.8 Ų152.886%0.86487%0.869SS**  trans-63.3147.1172.427.2-33.8000111.2
212K56Low56.8Low210 Ų210154.1 Ų154.191%0.91387%0.872SS**  trans-82.4141.6-171.9-62.8175.7178.9176.80111.9
213K54.2Low57.2Low208 Ų208151.3 Ų151.390%0.90487%0.871SS**  trans-112.1120.1155.3-176.4177.6-179.3179.90106.9
214A63.1Low57.5Low95 Ų95154.8 Ų154.879%0.78588%0.877SS**PPolyproline II helixtrans-95.4131.6-173.500000111.9
215P59Low57.8Low127 Ų127151.5 Ų151.583%0.82588%0.876SS**PPolyproline II helixtrans-99.2165.7165.337.5-31.5000111.9
216A60.6Low58.3Low100 Ų100147.9 Ų147.983%0.82688%0.875SS**PPolyproline II helixtrans-89.9157.3-172.700000115.3
217K60.6Low58.5Low195 Ų195149.4 Ų149.485%0.84888%0.878SS**  trans-157.9124.2151-97.2167.7-176.8-175.30105.7
218K52.1Low58.9Low196 Ų196154.6 Ų154.685%0.85289%0.894SS**  44.2119.996.2-67.3-159.2173.7-163.10111.8
219T58.4Low59Low139 Ų139155.2 Ų155.285%0.85389%0.893SS**  -165.1132.455-68.10000111.7
220A61.5Low59.4Low172 Ų172160.6 Ų160.6100%1.42190%0.902SS**  trans-1570149.200000106.1

Retrieved 220 of 220 residues in 81.7 ms (Link to these results)