A0A087WSN0_MOUSE Loading...

Keratin associated protein 5-3

AlphaFold DB , UniProt , Accession A0A087WSN0, Species MOUSE (Mus musculus, Mouse), Gene Krtap5-3, Length 356 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M34.3Very low32.7Very low243 Ų243117 Ų117100%1.19784%0.842SS**  090.40-76.2157.8178.600107.4
2S26.2Very low34Very low124 Ų124117.1 Ų117.187%0.86784%0.841SS**  trans-83120.6-177.8-69.60000109.8C4S2-C4 PolarHBondContact O-N 3.15Å
3C27.7Very low34.8Very low131 Ų131116.5 Ų116.589%0.88584%0.835SS**  trans-70.4111.6166.8-68.80000108.6G5C3-G5 PolarHBondContact O-N 3.26Å
4C29.7Very low34.5Very low128 Ų128116.9 Ų116.987%0.86583%0.834SS**  trans-57.1121.5172.5-119.80000109.4S2 C6S2-C4 PolarHBondContact O-N 3.15Å; C4-C6 PolarHBondContact O-N 3.02Å
5G34Very low35.1Very low73 Ų73117.7 Ų117.775%0.75384%0.837SS**  trans-61.7127.5174.400000111C3C3-G5 PolarHBondContact O-N 3.26Å
6C32.2Very low35.6Very low126 Ų126122.3 Ų122.385%0.85184%0.836SS**  trans-111.968.6158-77.90000108.6C4 G8C4-C6 PolarHBondContact O-N 3.02Å; C6-G8 PolarHBondContact O-N 3.23Å; C6-G8 VanDerWaalsContact O-N 3.14Å
7C40.8Very low35.8Very low137 Ų137121.5 Ų121.593%0.92683%0.829SS**  trans-73.779.7147.5-79.20000107.1G9C7-G9 PolarHBondContact O-N 2.98Å
8G31.7Very low36.2Very low69 Ų69121.3 Ų121.371%0.71182%0.822SS**  trans-92.486.1173.200000109.7C6 C10C6-G8 PolarHBondContact O-N 3.23Å; C6-G8 VanDerWaalsContact O-N 3.14Å; G8-C10 PolarHBondContact O-N 3.43Å
9G32.3Very low36.1Very low71 Ų71120.8 Ų120.873%0.73282%0.819SS**  trans-51.4138.4159.100000109.1C7 G11C7-G9 PolarHBondContact O-N 2.98Å; G9-G11 PolarHBondContact O-N 3.39Å
10C40.2Very low35.9Very low121 Ų121119.8 Ų119.882%0.81881%0.812SS**  trans-61.485.9172.1-76.30000109.9G8G8-C10 PolarHBondContact O-N 3.43Å
11G30.6Very low36.4Very low64 Ų64120.2 Ų120.266%0.6682%0.815SS**  trans-109.3119.4169.100000108.8G9 S13G9-G11 PolarHBondContact O-N 3.39Å; G11-S13 PolarHBondContact O-N 3.27Å
12S48.8Very low36.3Very low118 Ų118114.7 Ų114.783%0.82580%0.795SS**  trans-37.9124.217233.70000114.9
13S44.3Very low37.1Very low110 Ų110114 Ų11477%0.76979%0.787SS**  trans144.5150.9139.4570000111.2G11G11-S13 PolarHBondContact O-N 3.27Å
14C29.9Very low37.7Very low121 Ų121113 Ų11382%0.81878%0.777SS**  trans79.198.4176.4-60.50000116.4
15C43.7Very low38.2Very low130 Ų130111 Ų11188%0.87876%0.763SS**  trans-51.3142.9160.5-69.10000112
16K42.9Very low38.6Very low190 Ų190112.6 Ų112.683%0.82676%0.763SS**  trans75126177.3-76.3179.7171.9162.20114.9
17P39.9Very low39.6Very low109 Ų109109.1 Ų109.171%0.70874%0.739SS**  -135.1157.57732.5-15.8000115.1C19P17-C19 VanDerWaalsContact C-N 3.3Å; P17-C19 PolarHBondContact O-N 3.09Å
18V41.6Very low40.4Very low118 Ų118107.6 Ų107.672%0.71573%0.73SS**  trans-61.495.3154.2176.40000106.5C20V18-C20 VanDerWaalsContact CG1-SG 3.54Å; V18-C20 PolarHBondContact O-N 2.76Å; V18-C20 VanDerWaalsContact O-N 3.15Å
19C35.8Very low41.8Very low113 Ų113108.4 Ų108.476%0.76473%0.725SS**  trans-83.580.7162.7-82.70000107.9P17 C21P17-C19 VanDerWaalsContact C-N 3.3Å; P17-C19 PolarHBondContact O-N 3.09Å; C19-C21 PolarHBondContact O-N 3.28Å
20C31.7Very low43.2Very low99 Ų99106.7 Ų106.767%0.66970%0.701SS**  trans-53.8118.7152.2-76.90000108.1V18V18-C20 VanDerWaalsContact CG1-SG 3.54Å; V18-C20 PolarHBondContact O-N 2.76Å; V18-C20 VanDerWaalsContact O-N 3.15Å
21C46.7Very low44.3Very low130 Ų130103.1 Ų103.188%0.87869%0.685SS**  trans19.8105142-56.40000117.1C19C19-C21 PolarHBondContact O-N 3.28Å
22V32.3Very low45.7Very low127 Ų127102 Ų10277%0.7767%0.673SS**  trans-123.7131141.5-1760000106.8
23P43Very low46.2Very low110 Ų11099 Ų9971%0.71465%0.652SS**  trans-78.6137.7-171.133.2-32.6000109.8
24V40.5Very low46.8Very low109 Ų109102.7 Ų102.766%0.66165%0.654SS**  trans68.967165.2-131.80000116.2
25C39.8Very low48.2Very low87 Ų8799 Ų9959%0.58864%0.636SS**  trans-81.7113.9150.1-72.80000108.7C27C25-C27 PolarHBondContact O-N 2.72Å
26S42.8Very low49Very low106 Ų10695.1 Ų95.174%0.74162%0.618SS**  trans-68.565.1169.7-53.70000110.7
27C52.8Low50.2Low53 Ų5387.1 Ų87.136%0.35859%0.586SS.*  trans-79136.7173.3-68.90000109.4C25 S29 C43 G44C25-C27 PolarHBondContact O-N 2.72Å; C27-S29 PolarHBondContact O-N 2.94Å; C27-S29 VanDerWaalsContact O-N 3.17Å; C27-C43 WeakPolarHBondContact O-CA 3.18Å; C27-C43 WeakPolarHBondContact O-CB 3.28Å; C27-G44 PolarHBondContact O-N 3.47Å
28S58Low51.5Low104 Ų10487.1 Ų87.173%0.72759%0.588SS**SBendtrans-60.1-24.9172.1-53.90000111.9G44 S45S28-G44 CarbonylContact O-C 3.42Å; S28-G44 WeakPolarHBondContact O-CA 3.43Å; S28-G44 PolarHBondContact O-N 2.73Å; S28-S45 PolarHBondContact O-N 3.43Å; S28-S45 VanDerWaalsContact O-N 3.15Å
29S60.3Low52.7Low86 Ų8685.9 Ų85.960%0.60159%0.585SS**EExtended strand (participates in β ladder)trans-153136.1175.2-58.90000113.1C27 S45C27-S29 PolarHBondContact O-N 2.94Å; C27-S29 VanDerWaalsContact O-N 3.17Å; S29-S45 CarbonylContact C-O 3.42Å; S29-S45 WeakPolarHBondContact CA-O 3.21Å
30C62.3Low54.2Low35 Ų3581.3 Ų81.324%0.23655%0.554CS.*EExtended strand (participates in β ladder)trans-119.6103.3171.9-68.50000109.4C40 C43 S45 C46 G47C30-C40 HydrophobicContact CB-CB 4.46Å; C30-C43 HydrophobicContact CB-CB 4.41Å; C30-S45 PolarHBondContact N-O 3.04Å; C30-C46 CarbonylContact O-C 3.43Å; C30-C46 WeakPolarHBondContact O-CA 2.9Å; C30-G47 PolarHBondContact O-N 3.39Å
31G62.5Low55.9Low47 Ų4778.2 Ų78.249%0.48554%0.539SS..EExtended strand (participates in β ladder)trans-178.1171.1-173.300000116.9G47G31-G47 CarbonylContact C-O 3.42Å; G31-G47 WeakPolarHBondContact CA-O 3.39Å
32G60.8Low56.8Low39 Ų3973.6 Ų73.640%0.40251%0.513SS..  trans979.9170.400000117.3G47G32-G47 PolarHBondContact N-O 2.79Å; G32-G47 VanDerWaalsContact N-O 3.13Å
33C58.5Low58.4Low57 Ų5767.8 Ų67.839%0.38548%0.479SS..  trans-68.5139.3-178.4-58.20000112.7G35 C37 K50C33-G35 VanDerWaalsContact C-N 3.26Å; C33-G35 CarbonylContact C-O 3.46Å; C33-G35 WeakPolarHBondContact CB-O 3.2Å; C33-G35 VanDerWaalsContact O-O 3.08Å; C33-C37 VanDerWaalsContact SG-SG 3.64Å; C33-K50 PolarHBondContact O-N 3.39Å; C33-K50 VanDerWaalsContact O-N 3.09Å
34K57.3Low59.6Low187 Ų18764.5 Ų64.581%0.81346%0.464SS*.SBendtrans-63.1-36167.8-83.9-175.9179.3176.90110.8
35G59.5Low61.1Low43 Ų4361.8 Ų61.844%0.44345%0.45SS..SBendtrans-86.3170.3167.100000112.5C33C33-G35 VanDerWaalsContact C-N 3.26Å; C33-G35 CarbonylContact C-O 3.46Å; C33-G35 WeakPolarHBondContact CB-O 3.2Å; C33-G35 VanDerWaalsContact O-O 3.08Å
36G60.9Low62.5Low48 Ų4857.9 Ų57.950%0.49542%0.424SS..  trans-73.616217200000112.4G52G36-G52 CarbonylContact C-O 3.39Å; G36-G52 WeakPolarHBondContact CA-O 3.06Å
37C66.6Low63.8Low23 Ų2353.6 Ų53.616%0.15540%0.396CS..EExtended strand (participates in β ladder)trans-104.3130.9172-660000109.9C33 C49 G52 C53 G54C33-C37 VanDerWaalsContact SG-SG 3.64Å; C37-C49 PolarHBondContact SG-SG 3.32Å; C37-G52 PolarHBondContact N-O 2.74Å; C37-C53 CarbonylContact O-C 3.43Å; C37-C53 WeakPolarHBondContact O-CA 3.44Å; C37-G54 PolarHBondContact O-N 2.92Å
38S67.3Low64.6Low108 Ų10853.2 Ų53.276%0.75540%0.401SS*.EExtended strand (participates in β ladder)trans-75.4-40.2-179.1-50.20000112.8G54 S55S38-G54 WeakPolarHBondContact O-CA 3.12Å; S38-S55 PolarHBondContact O-N 2.75Å
39S67.8Low64.9Low92 Ų9248.3 Ų48.364%0.64337%0.367SS*.EExtended strand (participates in β ladder)trans-152.7142.7178.3-170.50000112S55S39-S55 CarbonylContact C-O 3.45Å; S39-S55 WeakPolarHBondContact CA-O 3.15Å
40C67.2Low65.3Low17 Ų1750.2 Ų50.212%0.11537%0.365CS..EExtended strand (participates in β ladder)trans-144.2135.1175.7-62.70000110.4C30 C46 S55 C56 G57C30-C40 HydrophobicContact CB-CB 4.46Å; C40-C46 HydrophobicContact CB-CB 4.29Å; C40-C46 WeakPolarHBondContact CB-SG 3.23Å; C40-C46 VanDerWaalsContact SG-SG 3.62Å; C40-S55 PolarHBondContact N-O 3.02Å; C40-C56 CarbonylContact O-C 3.51Å; C40-C56 WeakPolarHBondContact O-CA 3.04Å; C40-G57 PolarHBondContact O-N 2.74Å
41G66.9Low65.4Low34 Ų3450.9 Ų50.935%0.35138%0.377SS..EExtended strand (participates in β ladder)trans-161162.417300000115.4G57G41-G57 CarbonylContact C-O 3.47Å; G41-G57 WeakPolarHBondContact CA-O 3.41Å
42G65.8Low65.8Low33 Ų3349 Ų4934%0.3436%0.358SS..SBendtrans72.824.2179.100000115.1G57 G58G42-G57 PolarHBondContact N-O 2.76Å; G42-G58 WeakPolarHBondContact CA-O 3.33Å; G42-G58 PolarHBondContact N-O 2.73Å
43C66.6Low66.2Low6 Ų647.5 Ų47.54%0.04134%0.341CS..SBendtrans-117.8154.6-175.255.30000112.7C27 C30 S45 C59 G60C27-C43 WeakPolarHBondContact O-CA 3.18Å; C27-C43 WeakPolarHBondContact O-CB 3.28Å; C30-C43 HydrophobicContact CB-CB 4.41Å; C43-S45 VanDerWaalsContact C-N 3.3Å; C43-S45 PolarHBondContact O-N 3.41Å; C43-C59 WeakPolarHBondContact O-CA 3.42Å; C43-C59 WeakPolarHBondContact O-CB 3.23Å; C43-G60 PolarHBondContact O-N 2.81Å; C43-G60 VanDerWaalsContact O-N 3.12Å
44G67.3Low66.8Low40 Ų4046.2 Ų46.241%0.41234%0.338SS..SBendtrans-59.9-39.4177.800000112.7C27 S28 G60 S61C27-G44 PolarHBondContact O-N 3.47Å; S28-G44 CarbonylContact O-C 3.42Å; S28-G44 WeakPolarHBondContact O-CA 3.43Å; S28-G44 PolarHBondContact O-N 2.73Å; G44-G60 CarbonylContact O-C 3.47Å; G44-G60 WeakPolarHBondContact O-CA 2.92Å; G44-G60 PolarHBondContact O-N 3.09Å; G44-S61 PolarHBondContact O-N 3.13Å; G44-S61 VanDerWaalsContact O-N 3.14Å
45S71.4Confident67.6Low52 Ų5240 Ų4036%0.36432%0.317SS..EExtended strand (participates in β ladder)trans-147.4138.7176-71.90000112.5S28 S29 C30 C43 S61S28-S45 PolarHBondContact O-N 3.43Å; S28-S45 VanDerWaalsContact O-N 3.15Å; S29-S45 CarbonylContact C-O 3.42Å; S29-S45 WeakPolarHBondContact CA-O 3.21Å; C30-S45 PolarHBondContact N-O 3.04Å; C43-S45 VanDerWaalsContact C-N 3.3Å; C43-S45 PolarHBondContact O-N 3.41Å; S45-S61 CarbonylContact C-O 3.42Å; S45-S61 VanDerWaalsContact CA-O 3.25Å; S45-S61 WeakPolarHBondContact CA-O 3.21Å
46C70.4Confident68.2Low5 Ų538.2 Ų38.23%0.03430%0.298CS..EExtended strand (participates in β ladder)trans-124.9120.9177.4177.40000111.7C30 C40 C56 S61 C62 G63C30-C46 CarbonylContact O-C 3.43Å; C30-C46 WeakPolarHBondContact O-CA 2.9Å; C40-C46 HydrophobicContact CB-CB 4.29Å; C40-C46 WeakPolarHBondContact CB-SG 3.23Å; C40-C46 VanDerWaalsContact SG-SG 3.62Å; C46-C56 PolarHBondContact SG-SG 2.74Å; C46-S61 PolarHBondContact N-O 2.87Å; C46-C62 HydrophobicContact CB-CB 4.09Å; C46-C62 CarbonylContact O-C 3.47Å; C46-C62 WeakPolarHBondContact O-CA 3.23Å; C46-G63 PolarHBondContact O-N 3.14Å
47G70Confident68.8Low16 Ų1637.3 Ų37.317%0.16529%0.289CS..EExtended strand (participates in β ladder)trans167.1-172.8-177.200000119.8C30 G31 G32 C49 G63C30-G47 PolarHBondContact O-N 3.39Å; G31-G47 CarbonylContact C-O 3.42Å; G31-G47 WeakPolarHBondContact CA-O 3.39Å; G32-G47 PolarHBondContact N-O 2.79Å; G32-G47 VanDerWaalsContact N-O 3.13Å; G47-C49 PolarHBondContact O-N 3.03Å; G47-G63 CarbonylContact C-O 3.49Å; G47-G63 WeakPolarHBondContact CA-O 3.24Å
48G68.4Low69Low45 Ų4538.5 Ų38.546%0.46431%0.305SS..  trans78.912.1171.100000116.3G63G48-G63 PolarHBondContact N-O 3.49Å; G48-G63 VanDerWaalsContact N-O 3.09Å
49C66.1Low69.3Low1 Ų133.5 Ų33.51%0.00727%0.27CS..  trans-75.8139.7179.9-58.70000111.7C37 G47 C65 K66C37-C49 PolarHBondContact SG-SG 3.32Å; G47-C49 PolarHBondContact O-N 3.03Å; C49-C65 WeakPolarHBondContact O-CA 3.42Å; C49-K66 PolarHBondContact O-N 2.76Å
50K68.2Low69.5Low127 Ų12731.1 Ų31.155%0.55226%0.26SS*.SBendtrans-66.7-40.1174.2-81.8-173.2-180-178.90111.2C33 K66 G67C33-K50 PolarHBondContact O-N 3.39Å; C33-K50 VanDerWaalsContact O-N 3.09Å; K50-K66 WeakPolarHBondContact O-CB 3.09Å; K50-G67 PolarHBondContact O-N 2.85Å
51G64.7Low70Confident49 Ų4932.7 Ų32.751%0.50527%0.271SS..SBendtrans-84.8-11.5-176.600000116.2
52G69.2Low70.4Confident7 Ų731.3 Ų31.37%0.07226%0.256CS..  trans103.3170.3-174.300000114G36 C37 G68G36-G52 CarbonylContact C-O 3.39Å; G36-G52 WeakPolarHBondContact CA-O 3.06Å; C37-G52 PolarHBondContact N-O 2.74Å; G52-G68 CarbonylContact C-O 3.55Å; G52-G68 WeakPolarHBondContact CA-O 3.37Å
53C69.9Low70.8Confident7 Ų730.5 Ų30.55%0.04725%0.247CC..EExtended strand (participates in β ladder)trans-117135.4170.7-71.20000109.8C37 G68 C69 G70C37-C53 CarbonylContact O-C 3.43Å; C37-C53 WeakPolarHBondContact O-CA 3.44Å; C53-G68 PolarHBondContact N-O 2.76Å; C53-C69 CarbonylContact O-C 3.37Å; C53-C69 VanDerWaalsContact O-CA 3.23Å; C53-C69 WeakPolarHBondContact O-CA 3.14Å; C53-G70 PolarHBondContact O-N 2.91Å
54G70.8Confident71.1Confident31 Ų3132.4 Ų32.432%0.3227%0.269SS..EExtended strand (participates in β ladder)trans-73.7-69.2177.700000111.3C37 S38 G70 S71C37-G54 PolarHBondContact O-N 2.92Å; S38-G54 WeakPolarHBondContact O-CA 3.12Å; G54-G70 CarbonylContact O-C 3.33Å; G54-G70 WeakPolarHBondContact O-CA 3.12Å; G54-G70 PolarHBondContact O-N 3.28Å; G54-S71 PolarHBondContact O-N 3.15Å
55S74.9Confident71.3Confident55 Ų5530.6 Ų30.639%0.38525%0.249SC..EExtended strand (participates in β ladder)trans-127.7132.2-179.8-63.60000112.2S38 S39 C40 S71S38-S55 PolarHBondContact O-N 2.75Å; S39-S55 CarbonylContact C-O 3.45Å; S39-S55 WeakPolarHBondContact CA-O 3.15Å; C40-S55 PolarHBondContact N-O 3.02Å; S55-S71 CarbonylContact C-O 3.37Å; S55-S71 VanDerWaalsContact CA-O 3.28Å; S55-S71 WeakPolarHBondContact CA-O 3.49Å
56C72.1Confident71.4Confident6 Ų633.8 Ų33.84%0.04126%0.257CS..EExtended strand (participates in β ladder)trans-126127.9177.8-60.30000110.2C40 C46 C62 S71 C72 G73C40-C56 CarbonylContact O-C 3.51Å; C40-C56 WeakPolarHBondContact O-CA 3.04Å; C46-C56 PolarHBondContact SG-SG 2.74Å; C56-C62 HydrophobicContact CB-CB 3.97Å; C56-S71 PolarHBondContact N-O 2.81Å; C56-C72 CarbonylContact O-C 3.43Å; C56-C72 VanDerWaalsContact O-CA 3.24Å; C56-C72 WeakPolarHBondContact O-CA 3.39Å; C56-G73 PolarHBondContact O-N 2.89Å
57G73Confident71.4Confident29 Ų2935.8 Ų35.830%0.29928%0.278SS..EExtended strand (participates in β ladder)trans-137.7136.9-174.400000114.8C40 G41 G42 C59 G73C40-G57 PolarHBondContact O-N 2.74Å; G41-G57 CarbonylContact C-O 3.47Å; G41-G57 WeakPolarHBondContact CA-O 3.41Å; G42-G57 PolarHBondContact N-O 2.76Å; G57-C59 PolarHBondContact O-N 3.45Å; G57-G73 CarbonylContact C-O 3.45Å; G57-G73 VanDerWaalsContact CA-O 3.23Å; G57-G73 WeakPolarHBondContact CA-O 3.03Å
58G71.6Confident71.6Confident48 Ų4835.3 Ų35.350%0.49527%0.273SS..SBendtrans62.943.1167.800000113.8G42 G73 G74G42-G58 WeakPolarHBondContact CA-O 3.33Å; G42-G58 PolarHBondContact N-O 2.73Å; G58-G73 PolarHBondContact N-O 2.07Å; G58-G74 WeakPolarHBondContact CA-O 3.21Å
59C72.6Confident71.9Confident4 Ų433.5 Ų33.53%0.02725%0.254CS..  trans-118147.4-171.9700000112.4C43 G57 S61 C62 C75 G76C43-C59 WeakPolarHBondContact O-CA 3.42Å; C43-C59 WeakPolarHBondContact O-CB 3.23Å; G57-C59 PolarHBondContact O-N 3.45Å; C59-S61 VanDerWaalsContact C-N 3.31Å; C59-S61 PolarHBondContact O-N 3.46Å; C59-C62 WeakPolarHBondContact SG-CB 3.24Å; C59-C62 VanDerWaalsContact SG-SG 3.6Å; C59-C75 HydrophobicContact CB-CB 4.33Å; C59-C75 WeakPolarHBondContact CB-SG 3.16Å; C59-C75 PolarHBondContact N-SG 3.12Å; C59-C75 CarbonylContact O-C 3.47Å; C59-C75 WeakPolarHBondContact O-CA 3.39Å; C59-C75 WeakPolarHBondContact O-CB 3.4Å; C59-C75 WeakPolarHBondContact SG-CB 3.25Å; C59-C75 CovalentContact SG-SG 2.07Å; C59-C75 PolarHBondContact SG-SG 2.8Å; C59-G76 PolarHBondContact O-N 3.17Å
60G73.3Confident72.3Confident41 Ų4135 Ų3542%0.42327%0.269SS..SBendtrans-60-44.2176.300000111.7C43 G44 G76 S77C43-G60 PolarHBondContact O-N 2.81Å; C43-G60 VanDerWaalsContact O-N 3.12Å; G44-G60 CarbonylContact O-C 3.47Å; G44-G60 WeakPolarHBondContact O-CA 2.92Å; G44-G60 PolarHBondContact O-N 3.09Å; G60-G76 CarbonylContact O-C 3.44Å; G60-G76 VanDerWaalsContact O-CA 3.3Å; G60-G76 WeakPolarHBondContact O-CA 3.48Å; G60-G76 PolarHBondContact O-N 3.49Å; G60-S77 PolarHBondContact O-N 3.21Å; G60-S77 VanDerWaalsContact O-N 3.1Å
61S77.1Confident72.9Confident51 Ų5131.5 Ų31.536%0.35726%0.261SS..EExtended strand (participates in β ladder)trans-145.5139.6174.3-71.30000111.7G44 S45 C46 C59 S77G44-S61 PolarHBondContact O-N 3.13Å; G44-S61 VanDerWaalsContact O-N 3.14Å; S45-S61 CarbonylContact C-O 3.42Å; S45-S61 VanDerWaalsContact CA-O 3.25Å; S45-S61 WeakPolarHBondContact CA-O 3.21Å; C46-S61 PolarHBondContact N-O 2.87Å; C59-S61 VanDerWaalsContact C-N 3.31Å; C59-S61 PolarHBondContact O-N 3.46Å; S61-S77 CarbonylContact C-O 3.48Å; S61-S77 VanDerWaalsContact CA-O 3.23Å; S61-S77 WeakPolarHBondContact CA-O 3.22Å
62C74.8Confident73.4Confident5 Ų529.5 Ų29.53%0.03424%0.238CC..EExtended strand (participates in β ladder)trans-126.4136.2167.453.20000113.9C46 C56 C59 C75 S77 C78 G79C46-C62 HydrophobicContact CB-CB 4.09Å; C46-C62 CarbonylContact O-C 3.47Å; C46-C62 WeakPolarHBondContact O-CA 3.23Å; C56-C62 HydrophobicContact CB-CB 3.97Å; C59-C62 WeakPolarHBondContact SG-CB 3.24Å; C59-C62 VanDerWaalsContact SG-SG 3.6Å; C62-C75 VanDerWaalsContact SG-SG 3.61Å; C62-S77 PolarHBondContact N-O 2.99Å; C62-C78 CarbonylContact O-C 3.43Å; C62-C78 WeakPolarHBondContact O-CA 3.29Å; C62-C78 WeakPolarHBondContact SG-CB 3.19Å; C62-G79 PolarHBondContact O-N 2.8Å
63G74.1Confident73.8Confident15 Ų1530.5 Ų30.516%0.15525%0.249CC..EExtended strand (participates in β ladder)trans162.8-169.8-176.800000119.1C46 G47 G48 C65 G79C46-G63 PolarHBondContact O-N 3.14Å; G47-G63 CarbonylContact C-O 3.49Å; G47-G63 WeakPolarHBondContact CA-O 3.24Å; G48-G63 PolarHBondContact N-O 3.49Å; G48-G63 VanDerWaalsContact N-O 3.09Å; G63-C65 VanDerWaalsContact C-N 3.29Å; G63-C65 PolarHBondContact O-N 2.75Å; G63-G79 CarbonylContact C-O 3.41Å; G63-G79 WeakPolarHBondContact CA-O 3.19Å
64G73Confident74.1Confident47 Ų4732.4 Ų32.449%0.48527%0.27SS..  trans73.912.5171.300000115.6G79G64-G79 PolarHBondContact N-O 2.91Å; G64-G79 VanDerWaalsContact N-O 3.09Å
65C70.8Confident74.4Confident1 Ų131 Ų311%0.00726%0.256CS..  trans-77140.7179-63.60000111.7C49 G63 G68 C81 K82C49-C65 WeakPolarHBondContact O-CA 3.42Å; G63-C65 VanDerWaalsContact C-N 3.29Å; G63-C65 PolarHBondContact O-N 2.75Å; C65-G68 WeakPolarHBondContact CB-O 3.27Å; C65-C81 WeakPolarHBondContact O-CA 3.23Å; C65-K82 PolarHBondContact O-N 3.26Å
66K73.9Confident74.5Confident120 Ų12030.3 Ų30.352%0.52226%0.257SS..SBendtrans-68.2-44.7172.6-79.4-170-178.5-176.80110.8C49 K50 G68 K82 G83C49-K66 PolarHBondContact O-N 2.76Å; K50-K66 WeakPolarHBondContact O-CB 3.09Å; K66-G68 PolarHBondContact O-N 3.5Å; K66-K82 HydrophobicContact CG-CD 4.42Å; K66-K82 WeakPolarHBondContact O-CB 3.21Å; K66-G83 PolarHBondContact O-N 3Å
67G70.9Confident75Confident46 Ų4632.6 Ų32.647%0.47427%0.273SS..SBendtrans-76.7-12.2-178.400000116K50K50-G67 PolarHBondContact O-N 2.85Å
68G74Confident75.2Confident7 Ų731.5 Ų31.57%0.07226%0.261CS..  trans103.2173.1-174.800000113.9G52 C53 C65 K66 G84G52-G68 CarbonylContact C-O 3.55Å; G52-G68 WeakPolarHBondContact CA-O 3.37Å; C53-G68 PolarHBondContact N-O 2.76Å; C65-G68 WeakPolarHBondContact CB-O 3.27Å; K66-G68 PolarHBondContact O-N 3.5Å; G68-G84 CarbonylContact C-O 3.43Å; G68-G84 WeakPolarHBondContact CA-O 3.22Å
69C74.4Confident75.4Confident7 Ų729.9 Ų29.95%0.04724%0.244CC..EExtended strand (participates in β ladder)trans-116134.6168.6-69.30000109.4C53 C81 G84 C85 G86C53-C69 CarbonylContact O-C 3.37Å; C53-C69 VanDerWaalsContact O-CA 3.23Å; C53-C69 WeakPolarHBondContact O-CA 3.14Å; C69-C81 PolarHBondContact SG-SG 3.22Å; C69-G84 PolarHBondContact N-O 2.85Å; C69-C85 CarbonylContact O-C 3.39Å; C69-C85 VanDerWaalsContact O-CA 3.23Å; C69-C85 WeakPolarHBondContact O-CA 3.46Å; C69-G86 PolarHBondContact O-N 2.93Å
70G74.6Confident75.6Confident32 Ų3231.9 Ų31.933%0.3327%0.265SS..EExtended strand (participates in β ladder)trans-75.1-63.5179.900000111.7C53 G54 G86 S87C53-G70 PolarHBondContact O-N 2.91Å; G54-G70 CarbonylContact O-C 3.33Å; G54-G70 WeakPolarHBondContact O-CA 3.12Å; G54-G70 PolarHBondContact O-N 3.28Å; G70-G86 CarbonylContact O-C 3.48Å; G70-G86 WeakPolarHBondContact O-CA 3.35Å; G70-G86 PolarHBondContact O-N 2.93Å; G70-S87 PolarHBondContact O-N 3.26Å
71S81.1Confident75.6Confident54 Ų5430 Ų3038%0.37825%0.245SC..EExtended strand (participates in β ladder)trans-135.5129.5-179.1-62.20000111G54 S55 C56 S87G54-S71 PolarHBondContact O-N 3.15Å; S55-S71 CarbonylContact C-O 3.37Å; S55-S71 VanDerWaalsContact CA-O 3.28Å; S55-S71 WeakPolarHBondContact CA-O 3.49Å; C56-S71 PolarHBondContact N-O 2.81Å; S71-S87 CarbonylContact C-O 3.46Å; S71-S87 VanDerWaalsContact CA-O 3.25Å; S71-S87 WeakPolarHBondContact CA-O 3.34Å
72C75.4Confident75.7Confident6 Ų633.1 Ų33.14%0.04125%0.253CS..EExtended strand (participates in β ladder)trans-122.9128.2176.7-60.70000109.4C56 C78 S87 C88 G89C56-C72 CarbonylContact O-C 3.43Å; C56-C72 VanDerWaalsContact O-CA 3.24Å; C56-C72 WeakPolarHBondContact O-CA 3.39Å; C72-C78 HydrophobicContact CB-CB 3.94Å; C72-S87 PolarHBondContact N-O 2.75Å; C72-C88 CarbonylContact O-C 3.43Å; C72-C88 VanDerWaalsContact O-CA 3.24Å; C72-C88 WeakPolarHBondContact O-CA 3.16Å; C72-G89 PolarHBondContact O-N 3.49Å
73G78.7Confident75.7Confident29 Ų2935.1 Ų35.130%0.29927%0.274SS..EExtended strand (participates in β ladder)trans-133.2133.3-175.300000112.6C56 G57 G58 C75 G89C56-G73 PolarHBondContact O-N 2.89Å; G57-G73 CarbonylContact C-O 3.45Å; G57-G73 VanDerWaalsContact CA-O 3.23Å; G57-G73 WeakPolarHBondContact CA-O 3.03Å; G58-G73 PolarHBondContact N-O 2.07Å; G73-C75 PolarHBondContact O-N 3.27Å; G73-C75 VanDerWaalsContact O-N 3.15Å; G73-G89 CarbonylContact C-O 3.41Å; G73-G89 VanDerWaalsContact CA-O 3.22Å; G73-G89 WeakPolarHBondContact CA-O 2.97Å
74G75.5Confident75.8Confident47 Ų4734.7 Ų34.749%0.48527%0.27SS..SBendtrans62.227.8169.300000114.5G58 G89 G90G58-G74 WeakPolarHBondContact CA-O 3.21Å; G74-G89 PolarHBondContact N-O 3.45Å; G74-G90 WeakPolarHBondContact CA-O 3.02Å
75C76.3Confident76Confident2 Ų232.8 Ų32.81%0.01425%0.249CC..  trans-97.8146.2178.5-64.80000112.3C59 C62 G73 S77 C91 G92C59-C75 HydrophobicContact CB-CB 4.33Å; C59-C75 WeakPolarHBondContact CB-SG 3.16Å; C59-C75 PolarHBondContact N-SG 3.12Å; C59-C75 CarbonylContact O-C 3.47Å; C59-C75 WeakPolarHBondContact O-CA 3.39Å; C59-C75 WeakPolarHBondContact O-CB 3.4Å; C59-C75 WeakPolarHBondContact SG-CB 3.25Å; C59-C75 CovalentContact SG-SG 2.07Å; C59-C75 PolarHBondContact SG-SG 2.8Å; C62-C75 VanDerWaalsContact SG-SG 3.61Å; G73-C75 PolarHBondContact O-N 3.27Å; G73-C75 VanDerWaalsContact O-N 3.15Å; C75-S77 VanDerWaalsContact C-N 3.32Å; C75-S77 PolarHBondContact O-N 3.37Å; C75-C91 CarbonylContact O-C 3.54Å; C75-C91 WeakPolarHBondContact O-CA 2.92Å; C75-C91 VanDerWaalsContact O-CB 3.3Å; C75-C91 WeakPolarHBondContact O-CB 2.98Å; C75-G92 PolarHBondContact O-N 3.15Å
76G78.1Confident76.3Confident40 Ų4034.3 Ų34.341%0.41226%0.264SS..SBendtrans-57.6-45.1176.700000112C59 G60 G92 S93C59-G76 PolarHBondContact O-N 3.17Å; G60-G76 CarbonylContact O-C 3.44Å; G60-G76 VanDerWaalsContact O-CA 3.3Å; G60-G76 WeakPolarHBondContact O-CA 3.48Å; G60-G76 PolarHBondContact O-N 3.49Å; G76-G92 CarbonylContact O-C 3.46Å; G76-G92 VanDerWaalsContact O-CA 3.22Å; G76-G92 WeakPolarHBondContact O-CA 3.22Å; G76-G92 PolarHBondContact O-N 3.29Å; G76-S93 PolarHBondContact O-N 2.85Å
77S81.7Confident76.8Confident53 Ų5331.1 Ų31.137%0.37126%0.257SS..EExtended strand (participates in β ladder)trans-140141.3172.4-71.50000111.7G60 S61 C62 C75 S93G60-S77 PolarHBondContact O-N 3.21Å; G60-S77 VanDerWaalsContact O-N 3.1Å; S61-S77 CarbonylContact C-O 3.48Å; S61-S77 VanDerWaalsContact CA-O 3.23Å; S61-S77 WeakPolarHBondContact CA-O 3.22Å; C62-S77 PolarHBondContact N-O 2.99Å; C75-S77 VanDerWaalsContact C-N 3.32Å; C75-S77 PolarHBondContact O-N 3.37Å; S77-S93 CarbonylContact C-O 3.43Å; S77-S93 VanDerWaalsContact CA-O 3.28Å; S77-S93 WeakPolarHBondContact CA-O 3.21Å
78C77.4Confident77.1Confident7 Ų729.1 Ų29.15%0.04724%0.236CC..EExtended strand (participates in β ladder)trans-133.5133.3171.968.70000113.3C62 C72 C88 C91 S93 C94 G95C62-C78 CarbonylContact O-C 3.43Å; C62-C78 WeakPolarHBondContact O-CA 3.29Å; C62-C78 WeakPolarHBondContact SG-CB 3.19Å; C72-C78 HydrophobicContact CB-CB 3.94Å; C78-C88 PolarHBondContact SG-SG 3.49Å; C78-C91 PolarHBondContact SG-SG 3.09Å; C78-S93 PolarHBondContact N-O 3.43Å; C78-C94 CarbonylContact O-C 3.59Å; C78-C94 WeakPolarHBondContact O-CA 3.08Å; C78-C94 WeakPolarHBondContact SG-CB 3.4Å; C78-G95 PolarHBondContact O-N 3.26Å
79G76.3Confident77.5Confident14 Ų1430.2 Ų30.214%0.14425%0.247CC..EExtended strand (participates in β ladder)trans160.1-167-175.600000119.5C62 G63 G64 C81 G95C62-G79 PolarHBondContact O-N 2.8Å; G63-G79 CarbonylContact C-O 3.41Å; G63-G79 WeakPolarHBondContact CA-O 3.19Å; G64-G79 PolarHBondContact N-O 2.91Å; G64-G79 VanDerWaalsContact N-O 3.09Å; G79-C81 VanDerWaalsContact C-N 3.27Å; G79-C81 PolarHBondContact O-N 3.19Å; G79-G95 CarbonylContact C-O 3.49Å; G79-G95 WeakPolarHBondContact CA-O 3.1Å
80G75.7Confident77.7Confident46 Ų4632.1 Ų32.147%0.47427%0.268SS..  trans71.714.7172.200000115.4G95G80-G95 PolarHBondContact N-O 2.72Å
81C74.9Confident77.9Confident1 Ų130.7 Ų30.71%0.00725%0.253CS..  trans-80.1142.5179.8-63.60000111.9C65 C69 G79 G84 C97 K98C65-C81 WeakPolarHBondContact O-CA 3.23Å; C69-C81 PolarHBondContact SG-SG 3.22Å; G79-C81 VanDerWaalsContact C-N 3.27Å; G79-C81 PolarHBondContact O-N 3.19Å; C81-G84 WeakPolarHBondContact CB-O 3.23Å; C81-C97 CarbonylContact O-C 3.43Å; C81-C97 WeakPolarHBondContact O-CA 3.45Å; C81-K98 PolarHBondContact O-N 2.89Å
82K77.8Confident77.9Confident117 Ų11730 Ų3051%0.50925%0.254SS..SBendtrans-69-46.4172.4-76.2-167.9-178.3-175.90110.8C65 K66 G84 K98 G99C65-K82 PolarHBondContact O-N 3.26Å; K66-K82 HydrophobicContact CG-CD 4.42Å; K66-K82 WeakPolarHBondContact O-CB 3.21Å; K82-G84 VanDerWaalsContact C-N 3.31Å; K82-G84 PolarHBondContact O-N 2.76Å; K82-K98 HydrophobicContact CG-CD 4.38Å; K82-K98 WeakPolarHBondContact O-CB 3.07Å; K82-G99 PolarHBondContact O-N 2.88Å
83G74.5Confident78.3Confident47 Ų4732.2 Ų32.249%0.48527%0.27SS..SBendtrans-73.2-14.1-178.800000115.7K66K66-G83 PolarHBondContact O-N 3Å
84G77.2Confident78.4Confident6 Ų631.1 Ų31.16%0.06226%0.258CS..  trans105.1174.8-175.300000113.7G68 C69 C81 K82 G100G68-G84 CarbonylContact C-O 3.43Å; G68-G84 WeakPolarHBondContact CA-O 3.22Å; C69-G84 PolarHBondContact N-O 2.85Å; C81-G84 WeakPolarHBondContact CB-O 3.23Å; K82-G84 VanDerWaalsContact C-N 3.31Å; K82-G84 PolarHBondContact O-N 2.76Å; G84-G100 CarbonylContact C-O 3.53Å; G84-G100 WeakPolarHBondContact CA-O 3.37Å
85C77Confident78.5Confident6 Ų629.6 Ų29.64%0.04124%0.242CC..EExtended strand (participates in β ladder)trans-115.3132.4166.8-70.50000109.2C69 C97 G100 C101 G102C69-C85 CarbonylContact O-C 3.39Å; C69-C85 VanDerWaalsContact O-CA 3.23Å; C69-C85 WeakPolarHBondContact O-CA 3.46Å; C85-C97 PolarHBondContact SG-SG 2.84Å; C85-G100 PolarHBondContact N-O 3.48Å; C85-C101 CarbonylContact O-C 3.44Å; C85-C101 VanDerWaalsContact O-CA 3.23Å; C85-C101 WeakPolarHBondContact O-CA 3.3Å; C85-G102 PolarHBondContact O-N 2.78Å
86G77.6Confident78.7Confident33 Ų3331.7 Ų31.734%0.3426%0.264SS..EExtended strand (participates in β ladder)trans-72.9-63.4178.600000111.4C69 G70 G102 S103C69-G86 PolarHBondContact O-N 2.93Å; G70-G86 CarbonylContact O-C 3.48Å; G70-G86 WeakPolarHBondContact O-CA 3.35Å; G70-G86 PolarHBondContact O-N 2.93Å; G86-G102 CarbonylContact O-C 3.59Å; G86-G102 WeakPolarHBondContact O-CA 3.3Å; G86-G102 PolarHBondContact O-N 3.05Å; G86-S103 PolarHBondContact O-N 2.96Å
87S83.7Confident78.7Confident53 Ų5329.8 Ų29.837%0.37124%0.244SC..EExtended strand (participates in β ladder)trans-133.7136.4179.9-610000111.4G70 S71 C72 S103G70-S87 PolarHBondContact O-N 3.26Å; S71-S87 CarbonylContact C-O 3.46Å; S71-S87 VanDerWaalsContact CA-O 3.25Å; S71-S87 WeakPolarHBondContact CA-O 3.34Å; C72-S87 PolarHBondContact N-O 2.75Å; S87-S103 CarbonylContact C-O 3.43Å; S87-S103 VanDerWaalsContact CA-O 3.23Å; S87-S103 WeakPolarHBondContact CA-O 3.35Å
88C77.9Confident78.6Confident4 Ų432.8 Ų32.83%0.02725%0.251CS..EExtended strand (participates in β ladder)trans-130.7122177.2-60.50000109.1C72 C78 C94 S103 C104 G105C72-C88 CarbonylContact O-C 3.43Å; C72-C88 VanDerWaalsContact O-CA 3.24Å; C72-C88 WeakPolarHBondContact O-CA 3.16Å; C78-C88 PolarHBondContact SG-SG 3.49Å; C88-C94 HydrophobicContact CB-CB 3.96Å; C88-S103 PolarHBondContact N-O 2.79Å; C88-C104 CarbonylContact O-C 3.44Å; C88-C104 VanDerWaalsContact O-CA 3.26Å; C88-C104 WeakPolarHBondContact O-CA 3.12Å; C88-G105 PolarHBondContact O-N 3.1Å
89G81.1Confident78.5Confident30 Ų3034.7 Ų34.731%0.30927%0.272SS..EExtended strand (participates in β ladder)trans-128.4131.8-17500000112.4C72 G73 G74 C91 G105C72-G89 PolarHBondContact O-N 3.49Å; G73-G89 CarbonylContact C-O 3.41Å; G73-G89 VanDerWaalsContact CA-O 3.22Å; G73-G89 WeakPolarHBondContact CA-O 2.97Å; G74-G89 PolarHBondContact N-O 3.45Å; G89-C91 PolarHBondContact O-N 2.83Å; G89-G105 CarbonylContact C-O 3.46Å; G89-G105 WeakPolarHBondContact CA-O 3.26Å
90G78.5Confident78.7Confident47 Ų4734.3 Ų34.349%0.48527%0.268SS..SBendtrans63.229.2171.400000114G74 G105 G106G74-G90 WeakPolarHBondContact CA-O 3.02Å; G90-G105 PolarHBondContact N-O 3.31Å; G90-G106 WeakPolarHBondContact CA-O 3.25Å
91C79.9Confident78.8Confident2 Ų232.3 Ų32.31%0.01425%0.246CC..  trans-91.4144.7179.7-68.10000111.8C75 C78 G89 S93 C94 C107 G108C75-C91 CarbonylContact O-C 3.54Å; C75-C91 WeakPolarHBondContact O-CA 2.92Å; C75-C91 VanDerWaalsContact O-CB 3.3Å; C75-C91 WeakPolarHBondContact O-CB 2.98Å; C78-C91 PolarHBondContact SG-SG 3.09Å; G89-C91 PolarHBondContact O-N 2.83Å; C91-S93 VanDerWaalsContact C-N 3.31Å; C91-S93 PolarHBondContact O-N 3Å; C91-C94 HydrophobicContact CB-CB 4.45Å; C91-C107 CarbonylContact O-C 3.43Å; C91-C107 WeakPolarHBondContact O-CA 3.22Å; C91-C107 WeakPolarHBondContact O-CB 3.11Å; C91-G108 PolarHBondContact O-N 3.25Å
92G81.3Confident79.1Confident39 Ų3933.2 Ų33.240%0.40226%0.256SS..SBendtrans-58.6-46.5171.700000111.2C75 G76 G108 S109C75-G92 PolarHBondContact O-N 3.15Å; G76-G92 CarbonylContact O-C 3.46Å; G76-G92 VanDerWaalsContact O-CA 3.22Å; G76-G92 WeakPolarHBondContact O-CA 3.22Å; G76-G92 PolarHBondContact O-N 3.29Å; G92-G108 CarbonylContact O-C 3.5Å; G92-G108 VanDerWaalsContact O-CA 3.27Å; G92-G108 WeakPolarHBondContact O-CA 3.04Å; G92-G108 PolarHBondContact O-N 3.4Å; G92-S109 PolarHBondContact O-N 3Å
93S84.4Confident79.4Confident54 Ų5430.3 Ų30.338%0.37825%0.25SS..EExtended strand (participates in β ladder)trans-140.9141.8172.9-71.90000111.8G76 S77 C78 C91 S109G76-S93 PolarHBondContact O-N 2.85Å; S77-S93 CarbonylContact C-O 3.43Å; S77-S93 VanDerWaalsContact CA-O 3.28Å; S77-S93 WeakPolarHBondContact CA-O 3.21Å; C78-S93 PolarHBondContact N-O 3.43Å; C91-S93 VanDerWaalsContact C-N 3.31Å; C91-S93 PolarHBondContact O-N 3Å; S93-S109 CarbonylContact C-O 3.47Å; S93-S109 VanDerWaalsContact CA-O 3.31Å; S93-S109 WeakPolarHBondContact CA-O 3.46Å
94C79.9Confident79.6Confident5 Ų528.3 Ų28.33%0.03423%0.229CC..EExtended strand (participates in β ladder)trans-135.7130.6173.865.50000113.1C78 C88 C91 C104 C107 S109 C110 G111C78-C94 CarbonylContact O-C 3.59Å; C78-C94 WeakPolarHBondContact O-CA 3.08Å; C78-C94 WeakPolarHBondContact SG-CB 3.4Å; C88-C94 HydrophobicContact CB-CB 3.96Å; C91-C94 HydrophobicContact CB-CB 4.45Å; C94-C104 PolarHBondContact SG-SG 3.38Å; C94-C107 PolarHBondContact SG-SG 3.41Å; C94-S109 PolarHBondContact N-O 2.72Å; C94-C110 CarbonylContact O-C 3.42Å; C94-C110 WeakPolarHBondContact O-CA 3.14Å; C94-C110 VanDerWaalsContact SG-CA 3.6Å; C94-C110 WeakPolarHBondContact SG-CB 3.3Å; C94-G111 PolarHBondContact O-N 2.79Å
95G78.3Confident79.9Confident15 Ų1529.4 Ų29.416%0.15524%0.24CC..EExtended strand (participates in β ladder)trans162.7-168.3-174.900000119.6C78 G79 G80 C97 G111C78-G95 PolarHBondContact O-N 3.26Å; G79-G95 CarbonylContact C-O 3.49Å; G79-G95 WeakPolarHBondContact CA-O 3.1Å; G80-G95 PolarHBondContact N-O 2.72Å; G95-C97 VanDerWaalsContact C-N 3.26Å; G95-C97 PolarHBondContact O-N 3.48Å; G95-G111 CarbonylContact C-O 3.5Å; G95-G111 WeakPolarHBondContact CA-O 3.15Å
96G78.7Confident80.1Confident46 Ų4631.4 Ų31.447%0.47426%0.261SS..  trans71.314.5172.400000115.4G111G96-G111 PolarHBondContact N-O 3.48Å
97C78.1Confident80.3Confident1 Ų130 Ų301%0.00725%0.246CC..  trans-79.7142.1179.9-650000111.9C81 C85 G95 G100 C113 K114C81-C97 CarbonylContact O-C 3.43Å; C81-C97 WeakPolarHBondContact O-CA 3.45Å; C85-C97 PolarHBondContact SG-SG 2.84Å; G95-C97 VanDerWaalsContact C-N 3.26Å; G95-C97 PolarHBondContact O-N 3.48Å; C97-G100 WeakPolarHBondContact CB-O 3.39Å; C97-C113 PolarHBondContact N-SG 2.97Å; C97-C113 CarbonylContact O-C 3.54Å; C97-C113 WeakPolarHBondContact O-CA 3.29Å; C97-K114 PolarHBondContact O-N 3.17Å
98K80Confident80.2Confident116 Ų11629.4 Ų29.450%0.50425%0.249SC..SBendtrans-69.7-46.4172.6-73.8-167.8-178.4-175.60110.9C81 K82 G100 K114 G115C81-K98 PolarHBondContact O-N 2.89Å; K82-K98 HydrophobicContact CG-CD 4.38Å; K82-K98 WeakPolarHBondContact O-CB 3.07Å; K98-G100 VanDerWaalsContact C-N 3.29Å; K98-G100 PolarHBondContact O-N 2.74Å; K98-K114 HydrophobicContact CG-CD 4.38Å; K98-K114 WeakPolarHBondContact O-CB 3.23Å; K98-G115 PolarHBondContact O-N 3.48Å
99G76.7Confident80.6Confident47 Ų4731.7 Ų31.749%0.48527%0.265SS..SBendtrans-72.4-12.9-178.700000115.6K82K82-G99 PolarHBondContact O-N 2.88Å
100G78.7Confident80.5Confident6 Ų630.6 Ų30.66%0.06225%0.252CS..  trans103.3175.8-174.500000113.5G84 C85 C97 K98 G116G84-G100 CarbonylContact C-O 3.53Å; G84-G100 WeakPolarHBondContact CA-O 3.37Å; C85-G100 PolarHBondContact N-O 3.48Å; C97-G100 WeakPolarHBondContact CB-O 3.39Å; K98-G100 VanDerWaalsContact C-N 3.29Å; K98-G100 PolarHBondContact O-N 2.74Å; G100-G116 CarbonylContact C-O 3.42Å; G100-G116 WeakPolarHBondContact CA-O 3.25Å
101C79.2Confident80.6Confident3 Ų329 Ų292%0.0224%0.237CC..EExtended strand (participates in β ladder)trans-114.9134.8166.3-68.30000109.1C85 C113 G116 C117 S118C85-C101 CarbonylContact O-C 3.44Å; C85-C101 VanDerWaalsContact O-CA 3.23Å; C85-C101 WeakPolarHBondContact O-CA 3.3Å; C101-C113 PolarHBondContact SG-SG 3.4Å; C101-G116 PolarHBondContact N-O 2.79Å; C101-C117 CarbonylContact O-C 3.48Å; C101-C117 WeakPolarHBondContact O-CA 3.07Å; C101-S118 PolarHBondContact O-N 3.25Å
102G80Confident80.6Confident20 Ų2031.2 Ų31.221%0.20626%0.259CS..EExtended strand (participates in β ladder)trans-71.7-74174.800000110.4C85 G86 S118 S119C85-G102 PolarHBondContact O-N 2.78Å; G86-G102 CarbonylContact O-C 3.59Å; G86-G102 WeakPolarHBondContact O-CA 3.3Å; G86-G102 PolarHBondContact O-N 3.05Å; G102-S118 CarbonylContact O-C 3.58Å; G102-S118 WeakPolarHBondContact O-CA 3.06Å; G102-S118 WeakPolarHBondContact O-CB 3.33Å; G102-S118 PolarHBondContact O-N 2.76Å; G102-S119 PolarHBondContact O-N 3.48Å
103S84.8Confident80.5Confident57 Ų5729.4 Ų29.440%0.39924%0.24SC..EExtended strand (participates in β ladder)trans-128.5120-174.8-64.70000111.8G86 S87 C88 S119G86-S103 PolarHBondContact O-N 2.96Å; S87-S103 CarbonylContact C-O 3.43Å; S87-S103 VanDerWaalsContact CA-O 3.23Å; S87-S103 WeakPolarHBondContact CA-O 3.35Å; C88-S103 PolarHBondContact N-O 2.79Å; S103-S119 CarbonylContact C-O 3.43Å; S103-S119 WeakPolarHBondContact CA-O 3.21Å
104C79.5Confident80.3Confident4 Ų432.4 Ų32.43%0.02725%0.246CC..EExtended strand (participates in β ladder)trans-111124.6175.9-66.50000109.8C88 C94 C110 S119 C120 G121C88-C104 CarbonylContact O-C 3.44Å; C88-C104 VanDerWaalsContact O-CA 3.26Å; C88-C104 WeakPolarHBondContact O-CA 3.12Å; C94-C104 PolarHBondContact SG-SG 3.38Å; C104-C110 HydrophobicContact CB-CB 3.85Å; C104-S119 PolarHBondContact N-O 3.46Å; C104-C120 CarbonylContact O-C 3.5Å; C104-C120 WeakPolarHBondContact O-CA 3.2Å; C104-G121 PolarHBondContact O-N 3.06Å
105G82.5Confident80.3Confident30 Ų3034.4 Ų34.431%0.30927%0.268SS..EExtended strand (participates in β ladder)trans-130.7130.2-175.900000112.3C88 G89 G90 C107 G121C88-G105 PolarHBondContact O-N 3.1Å; G89-G105 CarbonylContact C-O 3.46Å; G89-G105 WeakPolarHBondContact CA-O 3.26Å; G90-G105 PolarHBondContact N-O 3.31Å; G105-C107 PolarHBondContact O-N 2.92Å; G105-C107 PolarHBondContact O-SG 3.14Å; G105-G121 CarbonylContact C-O 3.53Å; G105-G121 VanDerWaalsContact CA-O 3.22Å; G105-G121 WeakPolarHBondContact CA-O 2.95Å
106G80.9Confident80.4Confident47 Ų4734 Ų3449%0.48526%0.263SS..SBendtrans63.425.7171.800000114.3G90 G121 G122G90-G106 WeakPolarHBondContact CA-O 3.25Å; G106-G121 PolarHBondContact N-O 3.03Å; G106-G122 WeakPolarHBondContact CA-O 2.99Å
107C81.4Confident80.5Confident3 Ų332 Ų322%0.0224%0.242CC..  trans-89.5144.7-179.3-60.90000111.3C91 C94 G105 S109 C110 C123 G124C91-C107 CarbonylContact O-C 3.43Å; C91-C107 WeakPolarHBondContact O-CA 3.22Å; C91-C107 WeakPolarHBondContact O-CB 3.11Å; C94-C107 PolarHBondContact SG-SG 3.41Å; G105-C107 PolarHBondContact O-N 2.92Å; G105-C107 PolarHBondContact O-SG 3.14Å; C107-S109 VanDerWaalsContact C-N 3.33Å; C107-S109 PolarHBondContact O-N 3.39Å; C107-C110 HydrophobicContact CB-CB 4.44Å; C107-C123 CarbonylContact O-C 3.46Å; C107-C123 WeakPolarHBondContact O-CA 3.18Å; C107-C123 WeakPolarHBondContact O-CB 3.37Å; C107-G124 PolarHBondContact O-N 3.41Å
108G82.7Confident80.8Confident41 Ų4135.8 Ų35.842%0.42327%0.269SS..SBendtrans-58.3-47.4172.700000111.3C91 G92 G124 S125C91-G108 PolarHBondContact O-N 3.25Å; G92-G108 CarbonylContact O-C 3.5Å; G92-G108 VanDerWaalsContact O-CA 3.27Å; G92-G108 WeakPolarHBondContact O-CA 3.04Å; G92-G108 PolarHBondContact O-N 3.4Å; G108-G124 CarbonylContact O-C 3.53Å; G108-G124 VanDerWaalsContact O-CA 3.3Å; G108-G124 WeakPolarHBondContact O-CA 3.38Å; G108-G124 PolarHBondContact O-N 3.47Å; G108-S125 PolarHBondContact O-N 2.8Å
109S85.4Confident81.1Confident53 Ų5332.6 Ų32.637%0.37126%0.261SS..EExtended strand (participates in β ladder)trans-139.9139172.9-71.10000112G92 S93 C94 C107 S125G92-S109 PolarHBondContact O-N 3Å; S93-S109 CarbonylContact C-O 3.47Å; S93-S109 VanDerWaalsContact CA-O 3.31Å; S93-S109 WeakPolarHBondContact CA-O 3.46Å; C94-S109 PolarHBondContact N-O 2.72Å; C107-S109 VanDerWaalsContact C-N 3.33Å; C107-S109 PolarHBondContact O-N 3.39Å; S109-S125 CarbonylContact C-O 3.53Å; S109-S125 VanDerWaalsContact CA-O 3.3Å; S109-S125 WeakPolarHBondContact CA-O 3.09Å
110C80.9Confident81.3Confident6 Ų630.4 Ų30.44%0.04124%0.238CC..EExtended strand (participates in β ladder)trans-133.8128.1175700000113.6C94 C104 C107 C120 C123 S125 C126 G127C94-C110 CarbonylContact O-C 3.42Å; C94-C110 WeakPolarHBondContact O-CA 3.14Å; C94-C110 VanDerWaalsContact SG-CA 3.6Å; C94-C110 WeakPolarHBondContact SG-CB 3.3Å; C104-C110 HydrophobicContact CB-CB 3.85Å; C107-C110 HydrophobicContact CB-CB 4.44Å; C110-C120 PolarHBondContact SG-SG 2.86Å; C110-C123 PolarHBondContact SG-SG 2.95Å; C110-S125 PolarHBondContact N-O 2.72Å; C110-C126 CarbonylContact O-C 3.43Å; C110-C126 WeakPolarHBondContact O-CA 3.38Å; C110-C126 WeakPolarHBondContact SG-CB 3.34Å; C110-G127 PolarHBondContact O-N 2.9Å
111G78.9Confident81.5Confident15 Ų1531.4 Ų31.416%0.15525%0.249CC..EExtended strand (participates in β ladder)trans161.7-167-175.700000119.6C94 G95 G96 C113 G127C94-G111 PolarHBondContact O-N 2.79Å; G95-G111 CarbonylContact C-O 3.5Å; G95-G111 WeakPolarHBondContact CA-O 3.15Å; G96-G111 PolarHBondContact N-O 3.48Å; G111-C113 VanDerWaalsContact C-N 3.26Å; G111-C113 PolarHBondContact O-N 2.77Å; G111-G127 CarbonylContact C-O 3.5Å; G111-G127 WeakPolarHBondContact CA-O 3.04Å
112G79.6Confident81.6Confident47 Ų4733.6 Ų33.649%0.48527%0.272SS..  trans71.514.8173.600000115.1G127G112-G127 PolarHBondContact N-O 3.44Å
113C79.6Confident81.8Confident1 Ų132.7 Ų32.71%0.00726%0.262CS..  trans-80.7143.5-179.8-64.40000111.9C97 C101 G111 C129 K130C97-C113 PolarHBondContact N-SG 2.97Å; C97-C113 CarbonylContact O-C 3.54Å; C97-C113 WeakPolarHBondContact O-CA 3.29Å; C101-C113 PolarHBondContact SG-SG 3.4Å; G111-C113 VanDerWaalsContact C-N 3.26Å; G111-C113 PolarHBondContact O-N 2.77Å; C113-C129 CarbonylContact O-C 3.45Å; C113-C129 WeakPolarHBondContact O-CA 3.33Å; C113-K130 PolarHBondContact O-N 2.9Å
114K81.5Confident81.8Confident117 Ų11731.9 Ų31.951%0.50926%0.263SS..SBendtrans-69.4-46.9172.9-73.7-167.9-178.9-174.20110.9C97 K98 G116 K130 G131C97-K114 PolarHBondContact O-N 3.17Å; K98-K114 HydrophobicContact CG-CD 4.38Å; K98-K114 WeakPolarHBondContact O-CB 3.23Å; K114-G116 VanDerWaalsContact C-N 3.29Å; K114-G116 PolarHBondContact O-N 2.92Å; K114-K130 HydrophobicContact CG-CD 4.4Å; K114-G131 PolarHBondContact O-N 3.02Å
115G78.6Confident82.1Confident47 Ų4734.3 Ų34.349%0.48528%0.28SS..SBendtrans-71.3-15.6-178.900000115.4K98K98-G115 PolarHBondContact O-N 3.48Å
116G81.3Confident82Confident6 Ų633.2 Ų33.26%0.06227%0.267CS..  trans101.7177.4-17400000113.6G100 C101 K114 G132G100-G116 CarbonylContact C-O 3.42Å; G100-G116 WeakPolarHBondContact CA-O 3.25Å; C101-G116 PolarHBondContact N-O 2.79Å; K114-G116 VanDerWaalsContact C-N 3.29Å; K114-G116 PolarHBondContact O-N 2.92Å; G116-G132 CarbonylContact C-O 3.58Å; G116-G132 WeakPolarHBondContact CA-O 3.23Å
117C81Confident81.9Confident4 Ų431.6 Ų31.63%0.02725%0.251CS..EExtended strand (participates in β ladder)trans-117.8127.9168-65.10000109.2C101 G132 C133 G134C101-C117 CarbonylContact O-C 3.48Å; C101-C117 WeakPolarHBondContact O-CA 3.07Å; C117-G132 PolarHBondContact N-O 2.83Å; C117-C133 CarbonylContact O-C 3.49Å; C117-C133 VanDerWaalsContact O-CA 3.25Å; C117-C133 WeakPolarHBondContact O-CA 3.28Å; C117-G134 PolarHBondContact O-N 2.79Å
118S83.6Confident81.9Confident82 Ų8233.6 Ų33.657%0.57327%0.272SS*.EExtended strand (participates in β ladder)trans-75.8-41.8-178.8-49.80000111.8C101 G102 G134 S135C101-S118 PolarHBondContact O-N 3.25Å; G102-S118 CarbonylContact O-C 3.58Å; G102-S118 WeakPolarHBondContact O-CA 3.06Å; G102-S118 WeakPolarHBondContact O-CB 3.33Å; G102-S118 PolarHBondContact O-N 2.76Å; S118-G134 CarbonylContact O-C 3.36Å; S118-G134 VanDerWaalsContact O-CA 3.29Å; S118-G134 WeakPolarHBondContact O-CA 3.21Å; S118-S135 PolarHBondContact O-N 2.76Å
119S85.6Confident81.8Confident48 Ų4831.7 Ų31.734%0.33625%0.253SS..EExtended strand (participates in β ladder)trans-144.9137.7178.3-171.50000112G102 S103 C104 S135G102-S119 PolarHBondContact O-N 3.48Å; S103-S119 CarbonylContact C-O 3.43Å; S103-S119 WeakPolarHBondContact CA-O 3.21Å; C104-S119 PolarHBondContact N-O 3.46Å; S119-S135 CarbonylContact C-O 3.45Å; S119-S135 VanDerWaalsContact CA-O 3.22Å; S119-S135 WeakPolarHBondContact CA-O 3.21Å
120C80.9Confident81.6Confident1 Ų134.7 Ų34.71%0.00726%0.259CS..EExtended strand (participates in β ladder)trans-133.6114.6175.9-64.90000110.1C104 C110 C126 S135 C136 G137C104-C120 CarbonylContact O-C 3.5Å; C104-C120 WeakPolarHBondContact O-CA 3.2Å; C110-C120 PolarHBondContact SG-SG 2.86Å; C120-C126 HydrophobicContact CB-CB 3.92Å; C120-S135 PolarHBondContact N-O 2.86Å; C120-C136 CarbonylContact O-C 3.47Å; C120-C136 WeakPolarHBondContact O-CA 3.05Å; C120-G137 PolarHBondContact O-N 3.25Å
121G84Confident81.5Confident28 Ų2836.6 Ų36.629%0.28928%0.279SS..EExtended strand (participates in β ladder)trans-117.1137.718000000112.5C104 G105 G106 C123 G137C104-G121 PolarHBondContact O-N 3.06Å; G105-G121 CarbonylContact C-O 3.53Å; G105-G121 VanDerWaalsContact CA-O 3.22Å; G105-G121 WeakPolarHBondContact CA-O 2.95Å; G106-G121 PolarHBondContact N-O 3.03Å; G121-C123 PolarHBondContact O-N 3.16Å; G121-C123 PolarHBondContact O-SG 2.8Å; G121-G137 CarbonylContact C-O 3.5Å; G121-G137 WeakPolarHBondContact CA-O 3.22Å
122G82.1Confident81.6Confident48 Ų4836.1 Ų36.150%0.49528%0.275SS..SBendtrans6022.3168.400000114.9G106 G137 G138G106-G122 WeakPolarHBondContact CA-O 2.99Å; G122-G137 PolarHBondContact N-O 2.78Å; G122-G138 WeakPolarHBondContact CA-O 3.01Å
123C83.2Confident81.7Confident1 Ų134.1 Ų34.11%0.00725%0.254CS..  trans-87142.5-178.2-60.80000111.2C107 C110 G121 S125 C126 C139 G140C107-C123 CarbonylContact O-C 3.46Å; C107-C123 WeakPolarHBondContact O-CA 3.18Å; C107-C123 WeakPolarHBondContact O-CB 3.37Å; C110-C123 PolarHBondContact SG-SG 2.95Å; G121-C123 PolarHBondContact O-N 3.16Å; G121-C123 PolarHBondContact O-SG 2.8Å; C123-S125 VanDerWaalsContact C-N 3.32Å; C123-S125 PolarHBondContact O-N 3.17Å; C123-C126 HydrophobicContact CB-CB 4.45Å; C123-C139 CarbonylContact O-C 3.4Å; C123-C139 WeakPolarHBondContact O-CA 3.09Å; C123-C139 WeakPolarHBondContact O-CB 3.37Å; C123-G140 PolarHBondContact O-N 2.8Å
124G83.8Confident81.8Confident40 Ų4035.6 Ų35.641%0.41227%0.268SS..SBendtrans-58.3-45.8174.500000111.5C107 G108 G140 S141C107-G124 PolarHBondContact O-N 3.41Å; G108-G124 CarbonylContact O-C 3.53Å; G108-G124 VanDerWaalsContact O-CA 3.3Å; G108-G124 WeakPolarHBondContact O-CA 3.38Å; G108-G124 PolarHBondContact O-N 3.47Å; G124-G140 CarbonylContact O-C 3.55Å; G124-G140 VanDerWaalsContact O-CA 3.29Å; G124-G140 WeakPolarHBondContact O-CA 3.24Å; G124-G140 PolarHBondContact O-N 2.93Å; G124-S141 PolarHBondContact O-N 3.37Å; G124-S141 VanDerWaalsContact O-N 3.07Å
125S86.1Confident82Confident56 Ų5632.7 Ų32.739%0.39226%0.263SS..EExtended strand (participates in β ladder)trans-142.6136.9172.3-71.80000111.8G108 S109 C110 C123 S141G108-S125 PolarHBondContact O-N 2.8Å; S109-S125 CarbonylContact C-O 3.53Å; S109-S125 VanDerWaalsContact CA-O 3.3Å; S109-S125 WeakPolarHBondContact CA-O 3.09Å; C110-S125 PolarHBondContact N-O 2.72Å; C123-S125 VanDerWaalsContact C-N 3.32Å; C123-S125 PolarHBondContact O-N 3.17Å; S125-S141 CarbonylContact C-O 3.41Å; S125-S141 VanDerWaalsContact CA-O 3.29Å; S125-S141 WeakPolarHBondContact CA-O 3.06Å
126C81.3Confident82.1Confident6 Ų630.7 Ų30.74%0.04124%0.241CC..EExtended strand (participates in β ladder)trans-131.3131.2175.472.30000113.8C110 C120 C123 C136 C139 S141 C142 G143C110-C126 CarbonylContact O-C 3.43Å; C110-C126 WeakPolarHBondContact O-CA 3.38Å; C110-C126 WeakPolarHBondContact SG-CB 3.34Å; C120-C126 HydrophobicContact CB-CB 3.92Å; C123-C126 HydrophobicContact CB-CB 4.45Å; C126-C136 PolarHBondContact SG-SG 3.09Å; C126-C139 PolarHBondContact SG-SG 3.35Å; C126-S141 PolarHBondContact N-O 3.39Å; C126-C142 CarbonylContact O-C 3.51Å; C126-C142 WeakPolarHBondContact O-CA 3.07Å; C126-C142 WeakPolarHBondContact SG-CB 3.49Å; C126-G143 PolarHBondContact O-N 2.79Å
127G79Confident82.3Confident14 Ų1431.9 Ų31.914%0.14425%0.254CS..EExtended strand (participates in β ladder)trans160.8-165.2-176.400000119.6C110 G111 G112 C129 G143C110-G127 PolarHBondContact O-N 2.9Å; G111-G127 CarbonylContact C-O 3.5Å; G111-G127 WeakPolarHBondContact CA-O 3.04Å; G112-G127 PolarHBondContact N-O 3.44Å; G127-C129 PolarHBondContact O-N 3.32Å; G127-G143 CarbonylContact C-O 3.54Å; G127-G143 WeakPolarHBondContact CA-O 3.06Å
128G80.6Confident82.4Confident45 Ų4533.9 Ų33.946%0.46428%0.275SS..  trans69.914.4173.900000115G143G128-G143 PolarHBondContact N-O 3.05Å
129C80.3Confident82.3Confident1 Ų130 Ų301%0.00725%0.248CC..  trans-80.3143.4-179.2-65.50000111.9C113 G127 C145 K146C113-C129 CarbonylContact O-C 3.45Å; C113-C129 WeakPolarHBondContact O-CA 3.33Å; G127-C129 PolarHBondContact O-N 3.32Å; C129-C145 PolarHBondContact N-SG 2.77Å; C129-C145 CarbonylContact O-C 3.6Å; C129-C145 VanDerWaalsContact O-CA 3.31Å; C129-C145 WeakPolarHBondContact O-CA 3.31Å; C129-K146 PolarHBondContact O-N 3.48Å
130K82Confident82.3Confident115 Ų11529.6 Ų29.650%0.525%0.251SS..SBendtrans-70-46.8172.4-73.2-167.8-179-174.70111C113 K114 G132 K146 G147C113-K130 PolarHBondContact O-N 2.9Å; K114-K130 HydrophobicContact CG-CD 4.4Å; K130-G132 VanDerWaalsContact C-N 3.29Å; K130-G132 PolarHBondContact O-N 3.25Å; K130-K146 HydrophobicContact CG-CD 4.4Å; K130-K146 WeakPolarHBondContact O-CB 3.15Å; K130-G147 PolarHBondContact O-N 3.43Å
131G79.1Confident82.5Confident46 Ų4632.1 Ų32.147%0.47427%0.269SS..SBendtrans-72.1-13.9-178.500000115.5K114K114-G131 PolarHBondContact O-N 3.02Å
132G80.8Confident82.4Confident6 Ų631 Ų316%0.06226%0.257CS..  trans103.5175.4-174.600000113.5G116 C117 K130 G148G116-G132 CarbonylContact C-O 3.58Å; G116-G132 WeakPolarHBondContact CA-O 3.23Å; C117-G132 PolarHBondContact N-O 2.83Å; K130-G132 VanDerWaalsContact C-N 3.29Å; K130-G132 PolarHBondContact O-N 3.25Å; G132-G148 CarbonylContact C-O 3.48Å; G132-G148 WeakPolarHBondContact CA-O 3.2Å
133C81.3Confident82.3Confident5 Ų529.4 Ų29.43%0.03424%0.24CC..EExtended strand (participates in β ladder)trans-115.2131166.3-68.30000108.9C117 C145 G148 C149 G150C117-C133 CarbonylContact O-C 3.49Å; C117-C133 VanDerWaalsContact O-CA 3.25Å; C117-C133 WeakPolarHBondContact O-CA 3.28Å; C133-C145 PolarHBondContact SG-SG 2.72Å; C133-G148 PolarHBondContact N-O 3.45Å; C133-C149 CarbonylContact O-C 3.42Å; C133-C149 VanDerWaalsContact O-CA 3.23Å; C133-C149 WeakPolarHBondContact O-CA 3.27Å; C133-G150 PolarHBondContact O-N 3.27Å
134G81.1Confident82.2Confident31 Ų3131.6 Ų31.632%0.3226%0.263SS..EExtended strand (participates in β ladder)trans-71-73.1178.400000111.2C117 S118 G150 S151C117-G134 PolarHBondContact O-N 2.79Å; S118-G134 CarbonylContact O-C 3.36Å; S118-G134 VanDerWaalsContact O-CA 3.29Å; S118-G134 WeakPolarHBondContact O-CA 3.21Å; G134-G150 CarbonylContact O-C 3.56Å; G134-G150 WeakPolarHBondContact O-CA 3.43Å; G134-G150 PolarHBondContact O-N 3.14Å; G134-S151 PolarHBondContact O-N 2.8Å
135S86.5Confident82.1Confident57 Ų5729.7 Ų29.740%0.39924%0.243SC..EExtended strand (participates in β ladder)trans-124.7128.4-179.7-63.80000111.5S118 S119 C120 S151S118-S135 PolarHBondContact O-N 2.76Å; S119-S135 CarbonylContact C-O 3.45Å; S119-S135 VanDerWaalsContact CA-O 3.22Å; S119-S135 WeakPolarHBondContact CA-O 3.21Å; C120-S135 PolarHBondContact N-O 2.86Å; S135-S151 CarbonylContact C-O 3.46Å; S135-S151 VanDerWaalsContact CA-O 3.3Å; S135-S151 WeakPolarHBondContact CA-O 3.37Å
136C81.6Confident81.9Confident4 Ų432.6 Ų32.63%0.02725%0.249CC..EExtended strand (participates in β ladder)trans-119.9126174.8-60.30000109.6C120 C126 C142 S151 C152 G153C120-C136 CarbonylContact O-C 3.47Å; C120-C136 WeakPolarHBondContact O-CA 3.05Å; C126-C136 PolarHBondContact SG-SG 3.09Å; C136-C142 HydrophobicContact CB-CB 4.01Å; C136-S151 PolarHBondContact N-O 2.79Å; C136-C152 CarbonylContact O-C 3.48Å; C136-C152 WeakPolarHBondContact O-CA 3.22Å; C136-G153 PolarHBondContact O-N 3.14Å
137G84.4Confident81.8Confident31 Ų3134.6 Ų34.632%0.3227%0.27SS..EExtended strand (participates in β ladder)trans-130.5129.9-177.200000112C120 G121 G122 C139 G153C120-G137 PolarHBondContact O-N 3.25Å; G121-G137 CarbonylContact C-O 3.5Å; G121-G137 WeakPolarHBondContact CA-O 3.22Å; G122-G137 PolarHBondContact N-O 2.78Å; G137-C139 PolarHBondContact O-N 3.17Å; G137-C139 VanDerWaalsContact O-N 3.17Å; G137-G153 CarbonylContact C-O 3.49Å; G137-G153 WeakPolarHBondContact CA-O 3.37Å
138G82.4Confident81.9Confident46 Ų4634.2 Ų34.247%0.47427%0.266SS..SBendtrans62.725.8172.800000114.1G122 G153 G154G122-G138 WeakPolarHBondContact CA-O 3.01Å; G138-G153 PolarHBondContact N-O 2.81Å; G138-G154 WeakPolarHBondContact CA-O 3.15Å
139C83.4Confident81.9Confident2 Ų232.3 Ų32.31%0.01425%0.246CC..  trans-85.8142.4179.4-65.50000111.1C123 C126 G137 S141 C142 C155 G156C123-C139 CarbonylContact O-C 3.4Å; C123-C139 WeakPolarHBondContact O-CA 3.09Å; C123-C139 WeakPolarHBondContact O-CB 3.37Å; C126-C139 PolarHBondContact SG-SG 3.35Å; G137-C139 PolarHBondContact O-N 3.17Å; G137-C139 VanDerWaalsContact O-N 3.17Å; C139-S141 VanDerWaalsContact C-N 3.32Å; C139-S141 PolarHBondContact O-N 2.77Å; C139-C142 HydrophobicContact CB-CB 4.35Å; C139-C155 CarbonylContact O-C 3.52Å; C139-C155 WeakPolarHBondContact O-CA 3.03Å; C139-C155 WeakPolarHBondContact O-CB 2.98Å; C139-G156 PolarHBondContact O-N 3.02Å
140G84.4Confident81.9Confident39 Ų3933.9 Ų33.940%0.40226%0.262SS..SBendtrans-58.6-47172.900000111.3C123 G124 G156 S157C123-G140 PolarHBondContact O-N 2.8Å; G124-G140 CarbonylContact O-C 3.55Å; G124-G140 VanDerWaalsContact O-CA 3.29Å; G124-G140 WeakPolarHBondContact O-CA 3.24Å; G124-G140 PolarHBondContact O-N 2.93Å; G140-G156 CarbonylContact O-C 3.46Å; G140-G156 VanDerWaalsContact O-CA 3.28Å; G140-G156 WeakPolarHBondContact O-CA 2.98Å; G140-G156 PolarHBondContact O-N 3Å; G140-S157 PolarHBondContact O-N 2.92Å
141S86.2Confident82.1Confident53 Ų5331 Ų3137%0.37126%0.256SS..EExtended strand (participates in β ladder)trans-141.3139.2172.5-72.20000111.5G124 S125 C126 C139 S157G124-S141 PolarHBondContact O-N 3.37Å; G124-S141 VanDerWaalsContact O-N 3.07Å; S125-S141 CarbonylContact C-O 3.41Å; S125-S141 VanDerWaalsContact CA-O 3.29Å; S125-S141 WeakPolarHBondContact CA-O 3.06Å; C126-S141 PolarHBondContact N-O 3.39Å; C139-S141 VanDerWaalsContact C-N 3.32Å; C139-S141 PolarHBondContact O-N 2.77Å; S141-S157 CarbonylContact C-O 3.57Å; S141-S157 WeakPolarHBondContact CA-O 3.48Å
142C81.9Confident82.1Confident6 Ų629 Ų294%0.04124%0.235CC..EExtended strand (participates in β ladder)trans-134.5131175.265.60000113.1C126 C136 C139 C152 S157 C158 G159C126-C142 CarbonylContact O-C 3.51Å; C126-C142 WeakPolarHBondContact O-CA 3.07Å; C126-C142 WeakPolarHBondContact SG-CB 3.49Å; C136-C142 HydrophobicContact CB-CB 4.01Å; C139-C142 HydrophobicContact CB-CB 4.35Å; C142-C152 VanDerWaalsContact SG-SG 3.63Å; C142-S157 PolarHBondContact N-O 2.95Å; C142-C158 CarbonylContact O-C 3.46Å; C142-C158 WeakPolarHBondContact O-CA 3.15Å; C142-C158 VanDerWaalsContact SG-CA 3.59Å; C142-C158 WeakPolarHBondContact SG-CB 3.23Å; C142-G159 PolarHBondContact O-N 2.89Å
143G79.2Confident82.3Confident14 Ų1430.2 Ų30.214%0.14425%0.248CC..EExtended strand (participates in β ladder)trans160.8-166.4-175.900000119.4C126 G127 G128 C145 G159C126-G143 PolarHBondContact O-N 2.79Å; G127-G143 CarbonylContact C-O 3.54Å; G127-G143 WeakPolarHBondContact CA-O 3.06Å; G128-G143 PolarHBondContact N-O 3.05Å; G143-C145 PolarHBondContact O-N 2.93Å; G143-G159 CarbonylContact C-O 3.39Å; G143-G159 WeakPolarHBondContact CA-O 3.38Å
144G81Confident82.3Confident46 Ų4632.2 Ų32.247%0.47427%0.269SS..  trans70.21517400000115G159G144-G159 PolarHBondContact N-O 2.96Å
145C80.8Confident82.4Confident1 Ų130.8 Ų30.81%0.00725%0.254CS..  trans-81.3143-179.3-65.50000111.9C129 C133 G143 G148 C161 K162C129-C145 PolarHBondContact N-SG 2.77Å; C129-C145 CarbonylContact O-C 3.6Å; C129-C145 VanDerWaalsContact O-CA 3.31Å; C129-C145 WeakPolarHBondContact O-CA 3.31Å; C133-C145 PolarHBondContact SG-SG 2.72Å; G143-C145 PolarHBondContact O-N 2.93Å; C145-G148 WeakPolarHBondContact CB-O 3.31Å; C145-C161 PolarHBondContact N-SG 3.37Å; C145-C161 CarbonylContact O-C 3.57Å; C145-C161 WeakPolarHBondContact O-CA 3.29Å; C145-K162 PolarHBondContact O-N 2.88Å
146K81.9Confident82.2Confident116 Ų11629.8 Ų29.850%0.50425%0.253SS..SBendtrans-69.5-46.8172.3-72.7-167.8-179.6-174.30110.9C129 K130 G148 K162 G163C129-K146 PolarHBondContact O-N 3.48Å; K130-K146 HydrophobicContact CG-CD 4.4Å; K130-K146 WeakPolarHBondContact O-CB 3.15Å; K146-G148 VanDerWaalsContact C-N 3.27Å; K146-G148 PolarHBondContact O-N 3.45Å; K146-K162 HydrophobicContact CG-CD 4.42Å; K146-G163 PolarHBondContact O-N 3.05Å
147G79.3Confident82.4Confident48 Ų4832.1 Ų32.150%0.49527%0.27SS..SBendtrans-72.4-11.5-17900000115.6K130K130-G147 PolarHBondContact O-N 3.43Å
148G80.7Confident82.2Confident6 Ų630.9 Ų30.96%0.06226%0.256CS..  trans101.4176-175.300000113.8G132 C133 C145 K146 G164G132-G148 CarbonylContact C-O 3.48Å; G132-G148 WeakPolarHBondContact CA-O 3.2Å; C133-G148 PolarHBondContact N-O 3.45Å; C145-G148 WeakPolarHBondContact CB-O 3.31Å; K146-G148 VanDerWaalsContact C-N 3.27Å; K146-G148 PolarHBondContact O-N 3.45Å; G148-G164 CarbonylContact C-O 3.47Å; G148-G164 WeakPolarHBondContact CA-O 3.21Å
149C81.2Confident82Confident5 Ų529.4 Ų29.43%0.03424%0.241CC..EExtended strand (participates in β ladder)trans-115131.1166.5-68.90000108.9C133 C161 G164 C165 G166C133-C149 CarbonylContact O-C 3.42Å; C133-C149 VanDerWaalsContact O-CA 3.23Å; C133-C149 WeakPolarHBondContact O-CA 3.27Å; C149-C161 PolarHBondContact SG-SG 3.21Å; C149-G164 PolarHBondContact N-O 3.48Å; C149-C165 CarbonylContact O-C 3.45Å; C149-C165 VanDerWaalsContact O-CA 3.24Å; C149-C165 WeakPolarHBondContact O-CA 3.33Å; C149-G166 PolarHBondContact O-N 2.78Å
150G80.4Confident81.9Confident34 Ų3431.6 Ų31.635%0.35126%0.264SS..EExtended strand (participates in β ladder)trans-73.8-66.9-17900000112C133 G134 G166 S167C133-G150 PolarHBondContact O-N 3.27Å; G134-G150 CarbonylContact O-C 3.56Å; G134-G150 WeakPolarHBondContact O-CA 3.43Å; G134-G150 PolarHBondContact O-N 3.14Å; G150-G166 CarbonylContact O-C 3.45Å; G150-G166 WeakPolarHBondContact O-CA 3.28Å; G150-G166 PolarHBondContact O-N 2.79Å; G150-S167 PolarHBondContact O-N 3.36Å
151S85.8Confident81.6Confident54 Ų5429.8 Ų29.838%0.37825%0.245SC..EExtended strand (participates in β ladder)trans-130.2131.9178.9-62.30000110.6G134 S135 C136 S167G134-S151 PolarHBondContact O-N 2.8Å; S135-S151 CarbonylContact C-O 3.46Å; S135-S151 VanDerWaalsContact CA-O 3.3Å; S135-S151 WeakPolarHBondContact CA-O 3.37Å; C136-S151 PolarHBondContact N-O 2.79Å; S151-S167 CarbonylContact C-O 3.55Å; S151-S167 VanDerWaalsContact CA-O 3.29Å; S151-S167 WeakPolarHBondContact CA-O 3.21Å
152C80.5Confident81.4Confident5 Ų532.8 Ų32.83%0.03425%0.251CS..EExtended strand (participates in β ladder)trans-123.3126.3175.7-60.90000108.9C136 C142 C158 S167 C168 G169C136-C152 CarbonylContact O-C 3.48Å; C136-C152 WeakPolarHBondContact O-CA 3.22Å; C142-C152 VanDerWaalsContact SG-SG 3.63Å; C152-C158 HydrophobicContact CB-CB 3.92Å; C152-S167 PolarHBondContact N-O 3.18Å; C152-C168 CarbonylContact O-C 3.46Å; C152-C168 WeakPolarHBondContact O-CA 3.08Å; C152-G169 PolarHBondContact O-N 2.74Å
153G83.4Confident81.2Confident31 Ų3134.7 Ų34.732%0.3227%0.272SS..EExtended strand (participates in β ladder)trans-131.4127.7-176.200000111.4C136 G137 G138 C155 G169C136-G153 PolarHBondContact O-N 3.14Å; G137-G153 CarbonylContact C-O 3.49Å; G137-G153 WeakPolarHBondContact CA-O 3.37Å; G138-G153 PolarHBondContact N-O 2.81Å; G153-C155 PolarHBondContact O-N 2.75Å; G153-C155 VanDerWaalsContact O-N 3.16Å; G153-G169 CarbonylContact C-O 3.51Å; G153-G169 WeakPolarHBondContact CA-O 3.05Å
154G81.5Confident81.1Confident47 Ų4734.3 Ų34.349%0.48527%0.268SS..SBendtrans6324.3173.700000114.2G138 G169 G170G138-G154 WeakPolarHBondContact CA-O 3.15Å; G154-G169 PolarHBondContact N-O 2.76Å; G154-G170 WeakPolarHBondContact CA-O 3.07Å
155C82.8Confident81.1Confident1 Ų132.3 Ų32.31%0.00725%0.247CC..  trans-85.4142.4179.9-62.20000110.9C139 G153 S157 C158 C171 G172C139-C155 CarbonylContact O-C 3.52Å; C139-C155 WeakPolarHBondContact O-CA 3.03Å; C139-C155 WeakPolarHBondContact O-CB 2.98Å; G153-C155 PolarHBondContact O-N 2.75Å; G153-C155 VanDerWaalsContact O-N 3.16Å; C155-S157 VanDerWaalsContact C-N 3.32Å; C155-S157 PolarHBondContact O-N 3.48Å; C155-C158 HydrophobicContact CB-CB 4.43Å; C155-C171 CarbonylContact O-C 3.52Å; C155-C171 WeakPolarHBondContact O-CA 3.33Å; C155-C171 WeakPolarHBondContact O-CB 3.3Å; C155-G172 PolarHBondContact O-N 2.87Å
156G83.8Confident81Confident37 Ų3733.8 Ų33.838%0.38126%0.262SS..SBendtrans-58.5-46.5173.800000111.5C139 G140 G172 S173C139-G156 PolarHBondContact O-N 3.02Å; G140-G156 CarbonylContact O-C 3.46Å; G140-G156 VanDerWaalsContact O-CA 3.28Å; G140-G156 WeakPolarHBondContact O-CA 2.98Å; G140-G156 PolarHBondContact O-N 3Å; G156-G172 CarbonylContact O-C 3.47Å; G156-G172 VanDerWaalsContact O-CA 3.27Å; G156-G172 WeakPolarHBondContact O-CA 3.29Å; G156-G172 PolarHBondContact O-N 2.73Å; G156-S173 PolarHBondContact O-N 2.89Å
157S85.5Confident81.1Confident53 Ų5331 Ų3137%0.37126%0.257SS..EExtended strand (participates in β ladder)trans-141.6138.9172.7-71.30000111.9G140 S141 C142 C155 S173G140-S157 PolarHBondContact O-N 2.92Å; S141-S157 CarbonylContact C-O 3.57Å; S141-S157 WeakPolarHBondContact CA-O 3.48Å; C142-S157 PolarHBondContact N-O 2.95Å; C155-S157 VanDerWaalsContact C-N 3.32Å; C155-S157 PolarHBondContact O-N 3.48Å; S157-S173 CarbonylContact C-O 3.56Å; S157-S173 VanDerWaalsContact CA-O 3.28Å; S157-S173 WeakPolarHBondContact CA-O 3.3Å
158C80.3Confident81.1Confident4 Ų428.8 Ų28.83%0.02723%0.234CC..EExtended strand (participates in β ladder)trans-134.9122.9175.969.80000114C142 C152 C155 S173 C174 G175C142-C158 CarbonylContact O-C 3.46Å; C142-C158 WeakPolarHBondContact O-CA 3.15Å; C142-C158 VanDerWaalsContact SG-CA 3.59Å; C142-C158 WeakPolarHBondContact SG-CB 3.23Å; C152-C158 HydrophobicContact CB-CB 3.92Å; C155-C158 HydrophobicContact CB-CB 4.43Å; C158-S173 PolarHBondContact N-O 2.93Å; C158-C174 CarbonylContact O-C 3.47Å; C158-C174 WeakPolarHBondContact O-CA 3.21Å; C158-C174 WeakPolarHBondContact SG-CB 3.35Å; C158-G175 PolarHBondContact O-N 2.86Å
159G78Confident81.1Confident15 Ų1530 Ų3016%0.15525%0.246CC..EExtended strand (participates in β ladder)trans167.6-166.8-174.700000119.4C142 G143 G144 C161 G175C142-G159 PolarHBondContact O-N 2.89Å; G143-G159 CarbonylContact C-O 3.39Å; G143-G159 WeakPolarHBondContact CA-O 3.38Å; G144-G159 PolarHBondContact N-O 2.96Å; G159-C161 VanDerWaalsContact C-N 3.26Å; G159-C161 PolarHBondContact O-N 3.42Å; G159-G175 CarbonylContact C-O 3.43Å; G159-G175 WeakPolarHBondContact CA-O 3.42Å
160G80.3Confident81.1Confident48 Ų4831.9 Ų31.950%0.49527%0.266SS..  trans70.916.1173.600000114.9G175G160-G175 PolarHBondContact N-O 2.8Å
161C80.2Confident81.1Confident1 Ų130.3 Ų30.31%0.00725%0.25CS..  trans-83.3143.8-178.4-65.90000112.1C145 C149 G159 C177 K178C145-C161 PolarHBondContact N-SG 3.37Å; C145-C161 CarbonylContact O-C 3.57Å; C145-C161 WeakPolarHBondContact O-CA 3.29Å; C149-C161 PolarHBondContact SG-SG 3.21Å; G159-C161 VanDerWaalsContact C-N 3.26Å; G159-C161 PolarHBondContact O-N 3.42Å; C161-C177 PolarHBondContact N-SG 3.36Å; C161-C177 CarbonylContact O-C 3.55Å; C161-C177 VanDerWaalsContact O-CA 3.29Å; C161-C177 WeakPolarHBondContact O-CA 3.07Å; C161-K178 PolarHBondContact O-N 2.94Å
162K80.9Confident80.9Confident117 Ų11729.7 Ų29.751%0.50925%0.252SS..SBendtrans-70.1-46.3172.1-72.4-167.9-179.6-1740111C145 K146 G164 K178 G179C145-K162 PolarHBondContact O-N 2.88Å; K146-K162 HydrophobicContact CG-CD 4.42Å; K162-G164 VanDerWaalsContact C-N 3.28Å; K162-G164 PolarHBondContact O-N 3.43Å; K162-K178 HydrophobicContact CG-CD 4.43Å; K162-K178 WeakPolarHBondContact O-CB 3.2Å; K162-G179 PolarHBondContact O-N 2.92Å
163G77.8Confident81.1Confident46 Ų4632 Ų3247%0.47427%0.268SS..SBendtrans-72.9-10.6-17800000115.8K146K146-G163 PolarHBondContact O-N 3.05Å
164G78Confident80.9Confident6 Ų630.8 Ų30.86%0.06226%0.255CS..  trans102.1173.7-174.500000113.7G148 C149 K162 G180G148-G164 CarbonylContact C-O 3.47Å; G148-G164 WeakPolarHBondContact CA-O 3.21Å; C149-G164 PolarHBondContact N-O 3.48Å; K162-G164 VanDerWaalsContact C-N 3.28Å; K162-G164 PolarHBondContact O-N 3.43Å; G164-G180 CarbonylContact C-O 3.42Å; G164-G180 WeakPolarHBondContact CA-O 3.08Å
165C79.6Confident80.6Confident4 Ų429.2 Ų29.23%0.02724%0.239CC..EExtended strand (participates in β ladder)trans-114.6130.6165.3-70.60000108.8C149 C177 G180 C181 G182C149-C165 CarbonylContact O-C 3.45Å; C149-C165 VanDerWaalsContact O-CA 3.24Å; C149-C165 WeakPolarHBondContact O-CA 3.33Å; C165-C177 PolarHBondContact SG-SG 2.95Å; C165-G180 PolarHBondContact N-O 2.81Å; C165-C181 CarbonylContact O-C 3.49Å; C165-C181 WeakPolarHBondContact O-CA 3.33Å; C165-G182 PolarHBondContact O-N 2.79Å
166G79.1Confident80.4Confident31 Ų3131.3 Ų31.332%0.3226%0.261SS..EExtended strand (participates in β ladder)trans-73.1-75.5-179.700000111.7C149 G150 G182 S183C149-G166 PolarHBondContact O-N 2.78Å; G150-G166 CarbonylContact O-C 3.45Å; G150-G166 WeakPolarHBondContact O-CA 3.28Å; G150-G166 PolarHBondContact O-N 2.79Å; G166-G182 CarbonylContact O-C 3.42Å; G166-G182 WeakPolarHBondContact O-CA 3.36Å; G166-G182 PolarHBondContact O-N 3.07Å; G166-G182 VanDerWaalsContact O-N 3.09Å; G166-S183 PolarHBondContact O-N 2.83Å
167S84.6Confident80.1Confident57 Ų5729.6 Ų29.640%0.39924%0.243SC..EExtended strand (participates in β ladder)trans-119.5136.5178-60.40000110.8G150 S151 C152 S183G150-S167 PolarHBondContact O-N 3.36Å; S151-S167 CarbonylContact C-O 3.55Å; S151-S167 VanDerWaalsContact CA-O 3.29Å; S151-S167 WeakPolarHBondContact CA-O 3.21Å; C152-S167 PolarHBondContact N-O 3.18Å; S167-S183 CarbonylContact C-O 3.45Å; S167-S183 VanDerWaalsContact CA-O 3.29Å; S167-S183 WeakPolarHBondContact CA-O 3.26Å
168C78.5Confident79.8Confident2 Ų232.7 Ų32.71%0.01425%0.25CC..EExtended strand (participates in β ladder)trans-130.5112.6177.5-63.30000108.7C152 C174 S183 C184 G185 C187C152-C168 CarbonylContact O-C 3.46Å; C152-C168 WeakPolarHBondContact O-CA 3.08Å; C168-C174 HydrophobicContact CB-CB 4.04Å; C168-S183 PolarHBondContact N-O 3.44Å; C168-C184 CarbonylContact O-C 3.46Å; C168-C184 WeakPolarHBondContact O-CA 3.29Å; C168-G185 PolarHBondContact O-N 2.79Å; C168-C187 PolarHBondContact O-SG 3.06Å
169G81.9Confident79.5Confident31 Ų3134.7 Ų34.732%0.3227%0.271SS..EExtended strand (participates in β ladder)trans-118.2130.4-178.200000111.7C152 G153 G154 C171 G185C152-G169 PolarHBondContact O-N 2.74Å; G153-G169 CarbonylContact C-O 3.51Å; G153-G169 WeakPolarHBondContact CA-O 3.05Å; G154-G169 PolarHBondContact N-O 2.76Å; G169-C171 PolarHBondContact O-N 3.25Å; G169-C171 VanDerWaalsContact O-N 3.14Å; G169-G185 CarbonylContact C-O 3.41Å; G169-G185 WeakPolarHBondContact CA-O 3.24Å
170G79.6Confident79.4Confident45 Ų4534.3 Ų34.346%0.46427%0.267SS..SBendtrans6323.7172.200000114.3G154 G185 G186G154-G170 WeakPolarHBondContact CA-O 3.07Å; G170-G185 PolarHBondContact N-O 2.79Å; G170-G186 WeakPolarHBondContact CA-O 3.38Å
171C81.6Confident79.1Confident2 Ų232.1 Ų32.11%0.01424%0.244CC..  trans-84.5141.5-180-62.30000111C155 G169 S173 C174 C187 G188C155-C171 CarbonylContact O-C 3.52Å; C155-C171 WeakPolarHBondContact O-CA 3.33Å; C155-C171 WeakPolarHBondContact O-CB 3.3Å; G169-C171 PolarHBondContact O-N 3.25Å; G169-C171 VanDerWaalsContact O-N 3.14Å; C171-S173 VanDerWaalsContact C-N 3.32Å; C171-S173 PolarHBondContact O-N 3.02Å; C171-C174 HydrophobicContact CB-CB 4.46Å; C171-C187 CarbonylContact O-C 3.49Å; C171-C187 WeakPolarHBondContact O-CA 3.39Å; C171-C187 WeakPolarHBondContact O-CB 3.37Å; C171-G188 PolarHBondContact O-N 3.46Å
172G82.1Confident78.9Confident40 Ų4032.9 Ų32.941%0.41225%0.252SS..SBendtrans-58.6-45.3174.500000111.6C155 G156 G188 S189C155-G172 PolarHBondContact O-N 2.87Å; G156-G172 CarbonylContact O-C 3.47Å; G156-G172 VanDerWaalsContact O-CA 3.27Å; G156-G172 WeakPolarHBondContact O-CA 3.29Å; G156-G172 PolarHBondContact O-N 2.73Å; G172-G188 CarbonylContact O-C 3.54Å; G172-G188 VanDerWaalsContact O-CA 3.28Å; G172-G188 WeakPolarHBondContact O-CA 3.06Å; G172-G188 PolarHBondContact O-N 3.27Å; G172-S189 PolarHBondContact O-N 3.02Å
173S83.9Confident78.8Confident53 Ų5330.2 Ų30.237%0.37125%0.248SC..EExtended strand (participates in β ladder)trans-144.2138.5173.1-72.40000111.7G156 S157 C158 C171 S189G156-S173 PolarHBondContact O-N 2.89Å; S157-S173 CarbonylContact C-O 3.56Å; S157-S173 VanDerWaalsContact CA-O 3.28Å; S157-S173 WeakPolarHBondContact CA-O 3.3Å; C158-S173 PolarHBondContact N-O 2.93Å; C171-S173 VanDerWaalsContact C-N 3.32Å; C171-S173 PolarHBondContact O-N 3.02Å; S173-S189 CarbonylContact C-O 3.58Å; S173-S189 VanDerWaalsContact CA-O 3.31Å; S173-S189 WeakPolarHBondContact CA-O 3.06Å
174C78.1Confident78.7Confident7 Ų728.2 Ų28.25%0.04723%0.227CC..EExtended strand (participates in β ladder)trans-134.2132.6176.465.80000113.3C158 C168 C171 S189 C190 G191C158-C174 CarbonylContact O-C 3.47Å; C158-C174 WeakPolarHBondContact O-CA 3.21Å; C158-C174 WeakPolarHBondContact SG-CB 3.35Å; C168-C174 HydrophobicContact CB-CB 4.04Å; C171-C174 HydrophobicContact CB-CB 4.46Å; C174-S189 PolarHBondContact N-O 3.23Å; C174-C190 CarbonylContact O-C 3.57Å; C174-C190 WeakPolarHBondContact O-CA 3.36Å; C174-C190 WeakPolarHBondContact SG-CB 3.12Å; C174-G191 PolarHBondContact O-N 2.93Å
175G76.5Confident78.7Confident14 Ų1429.4 Ų29.414%0.14424%0.239CC..EExtended strand (participates in β ladder)trans160.5-168-176.400000119.6C158 G159 G160 C177 G191C158-G175 PolarHBondContact O-N 2.86Å; G159-G175 CarbonylContact C-O 3.43Å; G159-G175 WeakPolarHBondContact CA-O 3.42Å; G160-G175 PolarHBondContact N-O 2.8Å; G175-C177 VanDerWaalsContact C-N 3.27Å; G175-C177 PolarHBondContact O-N 2.95Å; G175-G191 CarbonylContact C-O 3.58Å; G175-G191 WeakPolarHBondContact CA-O 3.07Å
176G77.9Confident78.5Confident45 Ų4531.4 Ų31.446%0.46426%0.26SS..  trans71.816.8173.500000114.9G191 G192G176-G191 PolarHBondContact N-O 3.44Å; G176-G192 WeakPolarHBondContact CA-O 3.31Å
177C77.9Confident78.5Confident1 Ų130 Ų301%0.00725%0.245CC..  trans-85.5141.8-177.6-65.40000112.2C161 C165 G175 G180 C193 K194C161-C177 PolarHBondContact N-SG 3.36Å; C161-C177 CarbonylContact O-C 3.55Å; C161-C177 VanDerWaalsContact O-CA 3.29Å; C161-C177 WeakPolarHBondContact O-CA 3.07Å; C165-C177 PolarHBondContact SG-SG 2.95Å; G175-C177 VanDerWaalsContact C-N 3.27Å; G175-C177 PolarHBondContact O-N 2.95Å; C177-G180 WeakPolarHBondContact CB-O 3.5Å; C177-C193 PolarHBondContact N-SG 2.89Å; C177-C193 CarbonylContact O-C 3.5Å; C177-C193 VanDerWaalsContact O-CA 3.3Å; C177-C193 WeakPolarHBondContact O-CA 3.31Å; C177-K194 PolarHBondContact O-N 2.95Å
178K79.2Confident78.2Confident118 Ų11829 Ų2951%0.51324%0.244SC..SBendtrans-69.5-45.2172.6-73-168.2-179.9-173.30111.1C161 K162 G180 K194 G195C161-K178 PolarHBondContact O-N 2.94Å; K162-K178 HydrophobicContact CG-CD 4.43Å; K162-K178 WeakPolarHBondContact O-CB 3.2Å; K178-G180 VanDerWaalsContact C-N 3.28Å; K178-G180 PolarHBondContact O-N 2.85Å; K178-K194 HydrophobicContact CG-CD 4.43Å; K178-K194 WeakPolarHBondContact O-CB 3.22Å; K178-G195 PolarHBondContact O-N 2.79Å
179G74.8Confident78.3Confident46 Ų4631.4 Ų31.447%0.47426%0.261SS..SBendtrans-73.8-7.5-17800000116K162K162-G179 PolarHBondContact O-N 2.92Å
180G74.3Confident78Confident6 Ų630.2 Ų30.26%0.06225%0.248CC..  trans99.4173.8-174.100000113.6G164 C165 C177 K178 G196G164-G180 CarbonylContact C-O 3.42Å; G164-G180 WeakPolarHBondContact CA-O 3.08Å; C165-G180 PolarHBondContact N-O 2.81Å; C177-G180 WeakPolarHBondContact CB-O 3.5Å; K178-G180 VanDerWaalsContact C-N 3.28Å; K178-G180 PolarHBondContact O-N 2.85Å; G180-G196 CarbonylContact C-O 3.57Å; G180-G196 WeakPolarHBondContact CA-O 3.08Å
181C75.3Confident77.8Confident2 Ų228.9 Ų28.91%0.01423%0.234CC..EExtended strand (participates in β ladder)trans-114.8135165.5-720000108.9C165 C193 G196 C197 C198C165-C181 CarbonylContact O-C 3.49Å; C165-C181 WeakPolarHBondContact O-CA 3.33Å; C181-C193 PolarHBondContact SG-SG 3.14Å; C181-G196 PolarHBondContact N-O 3.32Å; C181-C197 CarbonylContact O-C 3.42Å; C181-C197 WeakPolarHBondContact O-CA 3.37Å; C181-C198 PolarHBondContact O-N 2.87Å
182G74.5Confident77.5Confident18 Ų1831 Ų3119%0.18626%0.256CS..EExtended strand (participates in β ladder)trans-74.2-87.817600000111.2C165 G166 C198 S199C165-G182 PolarHBondContact O-N 2.79Å; G166-G182 CarbonylContact O-C 3.42Å; G166-G182 WeakPolarHBondContact O-CA 3.36Å; G166-G182 PolarHBondContact O-N 3.07Å; G166-G182 VanDerWaalsContact O-N 3.09Å; G182-C198 CarbonylContact O-C 3.48Å; G182-C198 VanDerWaalsContact O-CA 3.31Å; G182-C198 WeakPolarHBondContact O-CA 3.14Å; G182-C198 WeakPolarHBondContact O-CB 3.28Å; G182-C198 PolarHBondContact O-N 2.9Å; G182-S199 PolarHBondContact O-N 3.34Å
183S80.6Confident77.1Confident61 Ų6129.1 Ų29.143%0.42724%0.237SC..EExtended strand (participates in β ladder)trans-114.5116-175.7-62.40000111.4G166 S167 C168 S199G166-S183 PolarHBondContact O-N 2.83Å; S167-S183 CarbonylContact C-O 3.45Å; S167-S183 VanDerWaalsContact CA-O 3.29Å; S167-S183 WeakPolarHBondContact CA-O 3.26Å; C168-S183 PolarHBondContact N-O 3.44Å; S183-S199 CarbonylContact C-O 3.42Å; S183-S199 WeakPolarHBondContact CA-O 3.25Å
184C74.7Confident76.7Confident3 Ų332.3 Ų32.32%0.0224%0.244CC..EExtended strand (participates in β ladder)trans-106.4118.5174.4-61.70000109.8C168 C190 S199 C200 G201C168-C184 CarbonylContact O-C 3.46Å; C168-C184 WeakPolarHBondContact O-CA 3.29Å; C184-C190 HydrophobicContact CB-CB 4.05Å; C184-S199 PolarHBondContact N-O 3.06Å; C184-C200 CarbonylContact O-C 3.48Å; C184-C200 VanDerWaalsContact O-CA 3.23Å; C184-C200 WeakPolarHBondContact O-CA 3.17Å; C184-G201 PolarHBondContact O-N 3.38Å
185G77.7Confident76.2Confident31 Ų3134.2 Ų34.232%0.3227%0.265SS..EExtended strand (participates in β ladder)trans-124.6127.3-17900000111.7C168 G169 G170 C187 G201C168-G185 PolarHBondContact O-N 2.79Å; G169-G185 CarbonylContact C-O 3.41Å; G169-G185 WeakPolarHBondContact CA-O 3.24Å; G170-G185 PolarHBondContact N-O 2.79Å; G185-C187 PolarHBondContact O-N 3.37Å; G185-G201 CarbonylContact C-O 3.5Å; G185-G201 VanDerWaalsContact CA-O 3.23Å; G185-G201 WeakPolarHBondContact CA-O 3.24Å
186G75.7Confident75.9Confident46 Ų4633.8 Ų33.847%0.47426%0.26SS..SBendtrans63.524.1173.900000114.3G170 G201 G202G170-G186 WeakPolarHBondContact CA-O 3.38Å; G186-G201 PolarHBondContact N-O 2.89Å; G186-G202 WeakPolarHBondContact CA-O 3.23Å
187C78.6Confident75.5Confident1 Ų131.7 Ų31.71%0.00724%0.239CC..  trans-83.6141.8179.1-630000111.1C168 C171 G185 S189 C203 G204C168-C187 PolarHBondContact O-SG 3.06Å; C171-C187 CarbonylContact O-C 3.49Å; C171-C187 WeakPolarHBondContact O-CA 3.39Å; C171-C187 WeakPolarHBondContact O-CB 3.37Å; G185-C187 PolarHBondContact O-N 3.37Å; C187-S189 VanDerWaalsContact C-N 3.34Å; C187-S189 PolarHBondContact O-N 3.43Å; C187-C203 CarbonylContact O-C 3.47Å; C187-C203 WeakPolarHBondContact O-CA 3.28Å; C187-C203 WeakPolarHBondContact O-CB 3.27Å; C187-G204 PolarHBondContact O-N 3.47Å
188G79.6Confident74.6Confident37 Ų3735.1 Ų35.138%0.38126%0.262SS..SBendtrans-59-46.7174.600000111.7C171 G172 G204 S205C171-G188 PolarHBondContact O-N 3.46Å; G172-G188 CarbonylContact O-C 3.54Å; G172-G188 VanDerWaalsContact O-CA 3.28Å; G172-G188 WeakPolarHBondContact O-CA 3.06Å; G172-G188 PolarHBondContact O-N 3.27Å; G188-G204 CarbonylContact O-C 3.57Å; G188-G204 VanDerWaalsContact O-CA 3.26Å; G188-G204 WeakPolarHBondContact O-CA 3.3Å; G188-G204 PolarHBondContact O-N 3.49Å; G188-S205 PolarHBondContact O-N 3.32Å
189S80.8Confident74.3Confident53 Ų5331.9 Ų31.937%0.37125%0.254SS..EExtended strand (participates in β ladder)trans-141.6141173-71.80000111.8G172 S173 C174 C187 S205G172-S189 PolarHBondContact O-N 3.02Å; S173-S189 CarbonylContact C-O 3.58Å; S173-S189 VanDerWaalsContact CA-O 3.31Å; S173-S189 WeakPolarHBondContact CA-O 3.06Å; C174-S189 PolarHBondContact N-O 3.23Å; C187-S189 VanDerWaalsContact C-N 3.34Å; C187-S189 PolarHBondContact O-N 3.43Å; S189-S205 CarbonylContact C-O 3.45Å; S189-S205 VanDerWaalsContact CA-O 3.32Å; S189-S205 WeakPolarHBondContact CA-O 3.21Å
190C75.6Confident74.1Confident6 Ų629.7 Ų29.74%0.04123%0.232CC..EExtended strand (participates in β ladder)trans-136.1129.3176.764.30000112.8C174 C184 S205 C206 G207C174-C190 CarbonylContact O-C 3.57Å; C174-C190 WeakPolarHBondContact O-CA 3.36Å; C174-C190 WeakPolarHBondContact SG-CB 3.12Å; C184-C190 HydrophobicContact CB-CB 4.05Å; C190-S205 PolarHBondContact N-O 2.85Å; C190-C206 CarbonylContact O-C 3.42Å; C190-C206 WeakPolarHBondContact O-CA 3.28Å; C190-C206 VanDerWaalsContact SG-CA 3.56Å; C190-C206 WeakPolarHBondContact SG-CB 3.33Å; C190-G207 PolarHBondContact O-N 2.95Å
191G73.8Confident74Confident17 Ų1730.9 Ų30.918%0.17524%0.244CC..EExtended strand (participates in β ladder)trans166.6-170.8-176.200000119.9C174 G175 G176 C193 G207C174-G191 PolarHBondContact O-N 2.93Å; G175-G191 CarbonylContact C-O 3.58Å; G175-G191 WeakPolarHBondContact CA-O 3.07Å; G176-G191 PolarHBondContact N-O 3.44Å; G191-C193 VanDerWaalsContact C-N 3.29Å; G191-C193 PolarHBondContact O-N 3.43Å; G191-G207 CarbonylContact C-O 3.54Å; G191-G207 WeakPolarHBondContact CA-O 3.35Å
192G75.4Confident73.9Confident46 Ų4633 Ų3347%0.47427%0.266SS..  trans71.617.4172.400000115.2G176 G207 G208G176-G192 WeakPolarHBondContact CA-O 3.31Å; G192-G207 PolarHBondContact N-O 2.88Å; G192-G208 WeakPolarHBondContact CA-O 3.41Å
193C73.8Confident73.8Confident1 Ų132.2 Ų32.21%0.00726%0.257CS..  trans-86.2139.7-178.2-66.40000112.1C177 C181 G191 C209 K210C177-C193 PolarHBondContact N-SG 2.89Å; C177-C193 CarbonylContact O-C 3.5Å; C177-C193 VanDerWaalsContact O-CA 3.3Å; C177-C193 WeakPolarHBondContact O-CA 3.31Å; C181-C193 PolarHBondContact SG-SG 3.14Å; G191-C193 VanDerWaalsContact C-N 3.29Å; G191-C193 PolarHBondContact O-N 3.43Å; C193-C209 CarbonylContact O-C 3.46Å; C193-C209 VanDerWaalsContact O-CA 3.3Å; C193-C209 WeakPolarHBondContact O-CA 3.24Å; C193-K210 PolarHBondContact O-N 2.95Å
194K75.2Confident73.5Confident119 Ų11931.1 Ų31.152%0.51726%0.256SS..SBendtrans-69.9-42.6172.7-73.1-168.3179.8-173.10111.2C177 K178 G196 K210 G211C177-K194 PolarHBondContact O-N 2.95Å; K178-K194 HydrophobicContact CG-CD 4.43Å; K178-K194 WeakPolarHBondContact O-CB 3.22Å; K194-G196 VanDerWaalsContact C-N 3.32Å; K194-G196 PolarHBondContact O-N 2.79Å; K194-K210 HydrophobicContact CG-CD 4.45Å; K194-K210 WeakPolarHBondContact O-CB 3.21Å; K194-G211 PolarHBondContact O-N 3.05Å; K194-G211 VanDerWaalsContact O-N 3.1Å
195G69.3Low73.6Confident47 Ų4733.5 Ų33.549%0.48527%0.273SS..SBendtrans-75.6-5.9-177.600000116.5K178K178-G195 PolarHBondContact O-N 2.79Å
196G68.9Low73.4Confident5 Ų532.4 Ų32.45%0.05226%0.26CS..  trans93.4176.4-173.700000113.8G180 C181 K194 G212G180-G196 CarbonylContact C-O 3.57Å; G180-G196 WeakPolarHBondContact CA-O 3.08Å; C181-G196 PolarHBondContact N-O 3.32Å; K194-G196 VanDerWaalsContact C-N 3.32Å; K194-G196 PolarHBondContact O-N 2.79Å; G196-G212 CarbonylContact C-O 3.45Å; G196-G212 WeakPolarHBondContact CA-O 3.17Å
197C70.5Confident73.2Confident2 Ų231 Ų311%0.01425%0.245CC..EExtended strand (participates in β ladder)trans-120.9127.4170.9-65.80000110.3C181 C209 G212 C213 S214C181-C197 CarbonylContact O-C 3.42Å; C181-C197 WeakPolarHBondContact O-CA 3.37Å; C197-C209 PolarHBondContact SG-SG 2.93Å; C197-G212 PolarHBondContact N-O 3.35Å; C197-C213 CarbonylContact O-C 3.5Å; C197-C213 WeakPolarHBondContact O-CA 3.1Å; C197-S214 PolarHBondContact O-N 2.93Å
198C58.9Low72.9Confident73 Ų7333 Ų3349%0.49327%0.267SS..EExtended strand (participates in β ladder)trans-80.3-35.8-174.7-55.50000113.4C181 G182 S214 S215C181-C198 PolarHBondContact O-N 2.87Å; G182-C198 CarbonylContact O-C 3.48Å; G182-C198 VanDerWaalsContact O-CA 3.31Å; G182-C198 WeakPolarHBondContact O-CA 3.14Å; G182-C198 WeakPolarHBondContact O-CB 3.28Å; G182-C198 PolarHBondContact O-N 2.9Å; C198-S214 WeakPolarHBondContact O-CB 3.3Å; C198-S215 PolarHBondContact O-N 2.93Å
199S73.6Confident72.4Confident49 Ų4931.3 Ų31.334%0.34325%0.249SC..EExtended strand (participates in β ladder)trans-157.1120.3178.5-151.80000111.9G182 S183 C184 S215G182-S199 PolarHBondContact O-N 3.34Å; S183-S199 CarbonylContact C-O 3.42Å; S183-S199 WeakPolarHBondContact CA-O 3.25Å; C184-S199 PolarHBondContact N-O 3.06Å; S199-S215 CarbonylContact C-O 3.45Å; S199-S215 WeakPolarHBondContact CA-O 3.48Å
200C70.1Confident71.9Confident1 Ų134.3 Ų34.31%0.00726%0.255CS..EExtended strand (participates in β ladder)trans-114.9108.8178.9-65.50000110C184 C206 S215 C216 G217 C219C184-C200 CarbonylContact O-C 3.48Å; C184-C200 VanDerWaalsContact O-CA 3.23Å; C184-C200 WeakPolarHBondContact O-CA 3.17Å; C200-C206 HydrophobicContact CB-CB 4.07Å; C200-S215 PolarHBondContact N-O 3.39Å; C200-C216 CarbonylContact O-C 3.46Å; C200-C216 VanDerWaalsContact O-CA 3.24Å; C200-C216 WeakPolarHBondContact O-CA 2.99Å; C200-G217 PolarHBondContact O-N 2.98Å; C200-C219 PolarHBondContact O-SG 2.97Å
201G71.7Confident71.6Confident31 Ų3136.2 Ų36.232%0.3228%0.276SS..EExtended strand (participates in β ladder)trans-113.6128.7179.500000112C184 G185 G186 C203 G217C184-G201 PolarHBondContact O-N 3.38Å; G185-G201 CarbonylContact C-O 3.5Å; G185-G201 VanDerWaalsContact CA-O 3.23Å; G185-G201 WeakPolarHBondContact CA-O 3.24Å; G186-G201 PolarHBondContact N-O 2.89Å; G201-C203 PolarHBondContact O-N 3.4Å; G201-C203 VanDerWaalsContact O-N 3.14Å; G201-G217 CarbonylContact C-O 3.54Å; G201-G217 VanDerWaalsContact CA-O 3.24Å; G201-G217 WeakPolarHBondContact CA-O 3.29Å
202G72.2Confident71.2Confident46 Ų4635.7 Ų35.747%0.47427%0.27SS..SBendtrans64.620.4172.400000114.9G186 G217 G218G186-G202 WeakPolarHBondContact CA-O 3.23Å; G202-G217 PolarHBondContact N-O 2.9Å; G202-G218 WeakPolarHBondContact CA-O 3.44Å
203C73.7Confident70.9Confident1 Ų133.7 Ų33.71%0.00725%0.249CC..  trans-80.2141.4179.2-61.20000111.7C187 G201 S205 C219 G220C187-C203 CarbonylContact O-C 3.47Å; C187-C203 WeakPolarHBondContact O-CA 3.28Å; C187-C203 WeakPolarHBondContact O-CB 3.27Å; G201-C203 PolarHBondContact O-N 3.4Å; G201-C203 VanDerWaalsContact O-N 3.14Å; C203-S205 PolarHBondContact O-N 3.04Å; C203-C219 CarbonylContact O-C 3.42Å; C203-C219 WeakPolarHBondContact O-CA 3.34Å; C203-C219 WeakPolarHBondContact O-CB 3.26Å; C203-G220 PolarHBondContact O-N 3.36Å
204G74.4Confident70.6Confident38 Ų3836.7 Ų36.739%0.39227%0.27SS..SBendtrans-59.7-46.2174.700000111.9C187 G188 G220 S221C187-G204 PolarHBondContact O-N 3.47Å; G188-G204 CarbonylContact O-C 3.57Å; G188-G204 VanDerWaalsContact O-CA 3.26Å; G188-G204 WeakPolarHBondContact O-CA 3.3Å; G188-G204 PolarHBondContact O-N 3.49Å; G204-G220 CarbonylContact O-C 3.5Å; G204-G220 VanDerWaalsContact O-CA 3.25Å; G204-G220 WeakPolarHBondContact O-CA 3.12Å; G204-G220 PolarHBondContact O-N 2.9Å; G204-S221 PolarHBondContact O-N 2.91Å
205S76.5Confident70.4Confident54 Ų5433.1 Ų33.138%0.37826%0.26SS..EExtended strand (participates in β ladder)trans-141.4139.1172.9-69.90000111.9G188 S189 C190 C203 S221G188-S205 PolarHBondContact O-N 3.32Å; S189-S205 CarbonylContact C-O 3.45Å; S189-S205 VanDerWaalsContact CA-O 3.32Å; S189-S205 WeakPolarHBondContact CA-O 3.21Å; C190-S205 PolarHBondContact N-O 2.85Å; C203-S205 PolarHBondContact O-N 3.04Å; S205-S221 CarbonylContact C-O 3.4Å; S205-S221 VanDerWaalsContact CA-O 3.27Å; S205-S221 WeakPolarHBondContact CA-O 3.45Å
206C72.6Confident70.3Confident7 Ų730.9 Ų30.95%0.04724%0.237CC..EExtended strand (participates in β ladder)trans-132.2132175.5720000112.8C190 C200 C219 S221 C222 G223C190-C206 CarbonylContact O-C 3.42Å; C190-C206 WeakPolarHBondContact O-CA 3.28Å; C190-C206 VanDerWaalsContact SG-CA 3.56Å; C190-C206 WeakPolarHBondContact SG-CB 3.33Å; C200-C206 HydrophobicContact CB-CB 4.07Å; C206-C219 VanDerWaalsContact SG-SG 3.68Å; C206-S221 PolarHBondContact N-O 3.08Å; C206-C222 CarbonylContact O-C 3.53Å; C206-C222 WeakPolarHBondContact O-CA 3.13Å; C206-C222 VanDerWaalsContact SG-CA 3.6Å; C206-C222 WeakPolarHBondContact SG-CB 3.1Å; C206-G223 PolarHBondContact O-N 2.8Å
207G71.1Confident70.3Confident16 Ų1632 Ų3217%0.16525%0.249CC..EExtended strand (participates in β ladder)trans167.3-173.9-177.600000120.1C190 G191 G192 C209 G223C190-G207 PolarHBondContact O-N 2.95Å; G191-G207 CarbonylContact C-O 3.54Å; G191-G207 WeakPolarHBondContact CA-O 3.35Å; G192-G207 PolarHBondContact N-O 2.88Å; G207-C209 VanDerWaalsContact C-N 3.3Å; G207-C209 PolarHBondContact O-N 2.99Å; G207-G223 CarbonylContact C-O 3.46Å; G207-G223 WeakPolarHBondContact CA-O 2.9Å
208G72.4Confident70.2Confident45 Ų4534 Ų3446%0.46427%0.27SS..  trans72.517.217200000115.3G192 G223 G224G192-G208 WeakPolarHBondContact CA-O 3.41Å; G208-G223 PolarHBondContact N-O 3.03Å; G208-G224 WeakPolarHBondContact CA-O 3.28Å
209C70.2Confident70.8Confident1 Ų130.6 Ų30.61%0.00725%0.247CC..  trans-87.2138.5-178.2-66.40000112C193 C197 G207 C225 K226C193-C209 CarbonylContact O-C 3.46Å; C193-C209 VanDerWaalsContact O-CA 3.3Å; C193-C209 WeakPolarHBondContact O-CA 3.24Å; C197-C209 PolarHBondContact SG-SG 2.93Å; G207-C209 VanDerWaalsContact C-N 3.3Å; G207-C209 PolarHBondContact O-N 2.99Å; C209-C225 CarbonylContact O-C 3.47Å; C209-C225 VanDerWaalsContact O-CA 3.3Å; C209-C225 WeakPolarHBondContact O-CA 3.46Å; C209-K226 PolarHBondContact O-N 2.78Å
210K71.1Confident70.6Confident115 Ų11530 Ų3050%0.525%0.249SC..SBendtrans-70-43.1173.2-74.2-167.3179.3-171.40111.4C193 K194 G212 K226 G227C193-K210 PolarHBondContact O-N 2.95Å; K194-K210 HydrophobicContact CG-CD 4.45Å; K194-K210 WeakPolarHBondContact O-CB 3.21Å; K210-G212 VanDerWaalsContact C-N 3.31Å; K210-G212 PolarHBondContact O-N 2.92Å; K210-K226 HydrophobicContact CG-CD 4.46Å; K210-G227 PolarHBondContact O-N 3.39Å; K210-G227 VanDerWaalsContact O-N 3.11Å
211G67.3Low70.7Confident47 Ų4732.3 Ų32.349%0.48527%0.265SS..SBendtrans-76.6-2.2-17700000116.6K194K194-G211 PolarHBondContact O-N 3.05Å; K194-G211 VanDerWaalsContact O-N 3.1Å
212G66.8Low70.6Confident5 Ų531.1 Ų31.15%0.05225%0.251CS..  trans85.9176.5-175.600000114G196 C197 K210 G228G196-G212 CarbonylContact C-O 3.45Å; G196-G212 WeakPolarHBondContact CA-O 3.17Å; C197-G212 PolarHBondContact N-O 3.35Å; K210-G212 VanDerWaalsContact C-N 3.31Å; K210-G212 PolarHBondContact O-N 2.92Å; G212-G228 CarbonylContact C-O 3.48Å; G212-G228 WeakPolarHBondContact CA-O 2.97Å
213C68.4Low70.4Confident4 Ų429.8 Ų29.83%0.02724%0.237CC..BIsolated β-bridgetrans-119.7127.6172.8-66.50000110.7C197 G228 C229 C230C197-C213 CarbonylContact O-C 3.5Å; C197-C213 WeakPolarHBondContact O-CA 3.1Å; C213-G228 PolarHBondContact N-O 2.97Å; C213-C229 CarbonylContact O-C 3.49Å; C213-C229 WeakPolarHBondContact O-CA 3.14Å; C213-C230 PolarHBondContact O-N 2.8Å
214S67.9Low70.2Confident64 Ų6431.8 Ų31.845%0.44826%0.258SS..SBendtrans-81.1-29.8-176.8-36.10000113.4C197 C198 C230 S231C197-S214 PolarHBondContact O-N 2.93Å; C198-S214 WeakPolarHBondContact O-CB 3.3Å; S214-C230 VanDerWaalsContact O-CB 3.3Å; S214-C230 WeakPolarHBondContact O-CB 3.27Å; S214-S231 PolarHBondContact O-N 3.27Å
215S70.1Confident69.8Low44 Ų4430 Ų3031%0.30824%0.24SC..  trans-153.3137.1172.5-172.40000110.8C198 S199 C200 S231C198-S215 PolarHBondContact O-N 2.93Å; S199-S215 CarbonylContact C-O 3.45Å; S199-S215 WeakPolarHBondContact CA-O 3.48Å; C200-S215 PolarHBondContact N-O 3.39Å; S215-S231 CarbonylContact C-O 3.49Å; S215-S231 WeakPolarHBondContact CA-O 3.48Å
216C68.3Low69.3Low1 Ų133.5 Ų33.51%0.00725%0.248CC..EExtended strand (participates in β ladder)trans-131.1112.5175.8-67.80000108.4C200 C222 S231 C232 G233C200-C216 CarbonylContact O-C 3.46Å; C200-C216 VanDerWaalsContact O-CA 3.24Å; C200-C216 WeakPolarHBondContact O-CA 2.99Å; C216-C222 HydrophobicContact CB-CB 4.46Å; C216-S231 PolarHBondContact N-O 3.34Å; C216-C232 CarbonylContact O-C 3.47Å; C216-C232 VanDerWaalsContact O-CA 3.24Å; C216-C232 WeakPolarHBondContact O-CA 3.25Å; C216-G233 PolarHBondContact O-N 3.3Å
217G68.2Low68.9Low28 Ų2835.3 Ų35.329%0.28927%0.268SS..EExtended strand (participates in β ladder)trans-121130.7-179.700000111.4C200 G201 G202 C219 G233C200-G217 PolarHBondContact O-N 2.98Å; G201-G217 CarbonylContact C-O 3.54Å; G201-G217 VanDerWaalsContact CA-O 3.24Å; G201-G217 WeakPolarHBondContact CA-O 3.29Å; G202-G217 PolarHBondContact N-O 2.9Å; G217-C219 PolarHBondContact O-N 3.48Å; G217-C219 VanDerWaalsContact O-N 3.14Å; G217-G233 CarbonylContact C-O 3.44Å; G217-G233 VanDerWaalsContact CA-O 3.25Å; G217-G233 WeakPolarHBondContact CA-O 3.21Å
218G69.1Low68.4Low44 Ų4434.7 Ų34.745%0.45426%0.261SS..SBendtrans63.423.2172.300000114.6G202 G233 G234G202-G218 WeakPolarHBondContact CA-O 3.44Å; G218-G233 PolarHBondContact N-O 2.86Å; G218-G234 WeakPolarHBondContact CA-O 3.17Å
219C70.7Confident68.1Low2 Ų232.6 Ų32.61%0.01424%0.24CC..  trans-81.2140.4178.5-58.20000111.8C200 C203 C206 G217 S221 C235 G236C200-C219 PolarHBondContact O-SG 2.97Å; C203-C219 CarbonylContact O-C 3.42Å; C203-C219 WeakPolarHBondContact O-CA 3.34Å; C203-C219 WeakPolarHBondContact O-CB 3.26Å; C206-C219 VanDerWaalsContact SG-SG 3.68Å; G217-C219 PolarHBondContact O-N 3.48Å; G217-C219 VanDerWaalsContact O-N 3.14Å; C219-S221 VanDerWaalsContact C-N 3.35Å; C219-S221 PolarHBondContact O-N 3.31Å; C219-C235 CarbonylContact O-C 3.45Å; C219-C235 WeakPolarHBondContact O-CA 3.26Å; C219-C235 WeakPolarHBondContact O-CB 3.33Å; C219-G236 PolarHBondContact O-N 2.97Å
220G69.7Low67.3Low37 Ų3735.8 Ų35.838%0.38126%0.261SS..SBendtrans-60.5-44174.800000112.2C203 G204 G236 S237C203-G220 PolarHBondContact O-N 3.36Å; G204-G220 CarbonylContact O-C 3.5Å; G204-G220 VanDerWaalsContact O-CA 3.25Å; G204-G220 WeakPolarHBondContact O-CA 3.12Å; G204-G220 PolarHBondContact O-N 2.9Å; G220-G236 CarbonylContact O-C 3.42Å; G220-G236 VanDerWaalsContact O-CA 3.27Å; G220-G236 WeakPolarHBondContact O-CA 3.41Å; G220-G236 PolarHBondContact O-N 3.49Å; G220-S237 PolarHBondContact O-N 3.39Å; G220-S237 VanDerWaalsContact O-N 3.08Å
221S72.9Confident66.9Low49 Ų4932.6 Ų32.634%0.34325%0.253SS..EExtended strand (participates in β ladder)trans-145.3137.4173.4-69.80000111.7G204 S205 C206 C219 S237G204-S221 PolarHBondContact O-N 2.91Å; S205-S221 CarbonylContact C-O 3.4Å; S205-S221 VanDerWaalsContact CA-O 3.27Å; S205-S221 WeakPolarHBondContact CA-O 3.45Å; C206-S221 PolarHBondContact N-O 3.08Å; C219-S221 VanDerWaalsContact C-N 3.35Å; C219-S221 PolarHBondContact O-N 3.31Å; S221-S237 CarbonylContact C-O 3.43Å; S221-S237 VanDerWaalsContact CA-O 3.31Å; S221-S237 WeakPolarHBondContact CA-O 3.11Å
222C69.1Low66.8Low6 Ų630.4 Ų30.44%0.04123%0.231CC..EExtended strand (participates in β ladder)trans-131.6129.617862.90000112.6C206 C216 S237 C238 G239C206-C222 CarbonylContact O-C 3.53Å; C206-C222 WeakPolarHBondContact O-CA 3.13Å; C206-C222 VanDerWaalsContact SG-CA 3.6Å; C206-C222 WeakPolarHBondContact SG-CB 3.1Å; C216-C222 HydrophobicContact CB-CB 4.46Å; C222-S237 PolarHBondContact N-O 2.98Å; C222-C238 CarbonylContact O-C 3.5Å; C222-C238 VanDerWaalsContact O-CA 3.27Å; C222-C238 WeakPolarHBondContact O-CA 3.07Å; C222-C238 WeakPolarHBondContact SG-CB 3.13Å; C222-C238 PolarHBondContact SG-SG 3.47Å; C222-G239 PolarHBondContact O-N 3.44Å
223G67.8Low66.6Low17 Ų1731.7 Ų31.718%0.17524%0.244CC..EExtended strand (participates in β ladder)trans174.9-177.7-177.800000119.6C206 G207 G208 C225 G239C206-G223 PolarHBondContact O-N 2.8Å; G207-G223 CarbonylContact C-O 3.46Å; G207-G223 WeakPolarHBondContact CA-O 2.9Å; G208-G223 PolarHBondContact N-O 3.03Å; G223-C225 VanDerWaalsContact C-N 3.31Å; G223-C225 PolarHBondContact O-N 3.31Å; G223-G239 CarbonylContact C-O 3.54Å; G223-G239 WeakPolarHBondContact CA-O 2.95Å
224G69.1Low66.3Low43 Ų4333.6 Ų33.644%0.44326%0.264SS..  trans72.716.517200000115.6G208 G239 G240G208-G224 WeakPolarHBondContact CA-O 3.28Å; G224-G239 PolarHBondContact N-O 3.11Å; G224-G239 VanDerWaalsContact N-O 3.13Å; G224-G240 WeakPolarHBondContact CA-O 3.5Å
225C67Low66.3Low2 Ų230.7 Ų30.71%0.01424%0.244CC..  trans-84.3131.9179.4-68.60000111.6C209 G223 C241 K242C209-C225 CarbonylContact O-C 3.47Å; C209-C225 VanDerWaalsContact O-CA 3.3Å; C209-C225 WeakPolarHBondContact O-CA 3.46Å; G223-C225 VanDerWaalsContact C-N 3.31Å; G223-C225 PolarHBondContact O-N 3.31Å; C225-C241 WeakPolarHBondContact O-CA 3.09Å; C225-K242 PolarHBondContact O-N 2.93Å
226K66.6Low65.9Low127 Ų12730.3 Ų30.355%0.55225%0.247SC*.THydrogen-bonded Turntrans-69.2-39.3174.3-74.1-166.7178.6-1710111.7C209 K210 G228 G243C209-K226 PolarHBondContact O-N 2.78Å; K210-K226 HydrophobicContact CG-CD 4.46Å; K226-G228 PolarHBondContact O-N 3.01Å; K226-G243 PolarHBondContact O-N 3.06Å
227G63.2Low65.9Low45 Ų4532.6 Ų32.646%0.46426%0.263SS..THydrogen-bonded Turntrans-80.3-1-178.200000116.5K210K210-G227 PolarHBondContact O-N 3.39Å; K210-G227 VanDerWaalsContact O-N 3.11Å
228G61.3Low65.6Low2 Ų231.7 Ų31.72%0.02125%0.252CS..  trans84.3177.4-175.500000114.1G212 C213 K226 G244G212-G228 CarbonylContact C-O 3.48Å; G212-G228 WeakPolarHBondContact CA-O 2.97Å; C213-G228 PolarHBondContact N-O 2.97Å; K226-G228 PolarHBondContact O-N 3.01Å; G228-G244 CarbonylContact C-O 3.44Å; G228-G244 WeakPolarHBondContact CA-O 3.47Å
229C64.8Low65.3Low2 Ų230.4 Ų30.41%0.01424%0.239CC..BIsolated β-bridgetrans-123.7122.4175.7-62.50000111C213 G244 C245 S246C213-C229 CarbonylContact O-C 3.49Å; C213-C229 WeakPolarHBondContact O-CA 3.14Å; C229-G244 PolarHBondContact N-O 3.35Å; C229-C245 CarbonylContact O-C 3.56Å; C229-C245 WeakPolarHBondContact O-CA 3.3Å; C229-S246 PolarHBondContact O-N 2.97Å
230C54.5Low65Low68 Ų6832.3 Ų32.346%0.45926%0.259SS..SBendtrans-78.9-25.7-173-56.20000114.2C213 S214 S246 S247C213-C230 PolarHBondContact O-N 2.8Å; S214-C230 VanDerWaalsContact O-CB 3.3Å; S214-C230 WeakPolarHBondContact O-CB 3.27Å; C230-S246 VanDerWaalsContact O-CB 3.26Å; C230-S246 WeakPolarHBondContact O-CB 3.1Å; C230-S247 PolarHBondContact O-N 3.37Å
231S63.2Low64.6Low48 Ų4830.6 Ų30.634%0.33624%0.241SC..  trans-156.7120.3175.3-148.80000111.2S214 S215 C216 S247S214-S231 PolarHBondContact O-N 3.27Å; S215-S231 CarbonylContact C-O 3.49Å; S215-S231 WeakPolarHBondContact CA-O 3.48Å; C216-S231 PolarHBondContact N-O 3.34Å; S231-S247 CarbonylContact C-O 3.42Å; S231-S247 WeakPolarHBondContact CA-O 3.27Å
232C63.9Low64Low1 Ų134.6 Ų34.61%0.00725%0.252CS..EExtended strand (participates in β ladder)trans-117.8109.6178.2-67.40000109.4C216 S247 C248 G249C216-C232 CarbonylContact O-C 3.47Å; C216-C232 VanDerWaalsContact O-CA 3.24Å; C216-C232 WeakPolarHBondContact O-CA 3.25Å; C232-S247 PolarHBondContact N-O 3.31Å; C232-C248 CarbonylContact O-C 3.47Å; C232-C248 VanDerWaalsContact O-CA 3.28Å; C232-C248 WeakPolarHBondContact O-CA 2.88Å; C232-G249 PolarHBondContact O-N 3.32Å
233G62.1Low63.4Low32 Ų3236.6 Ų36.633%0.3327%0.274SS..EExtended strand (participates in β ladder)trans-119126.5-17900000112C216 G217 G218 C235 G249C216-G233 PolarHBondContact O-N 3.3Å; G217-G233 CarbonylContact C-O 3.44Å; G217-G233 VanDerWaalsContact CA-O 3.25Å; G217-G233 WeakPolarHBondContact CA-O 3.21Å; G218-G233 PolarHBondContact N-O 2.86Å; G233-C235 VanDerWaalsContact C-N 3.3Å; G233-C235 PolarHBondContact O-N 3.3Å; G233-G249 CarbonylContact C-O 3.48Å; G233-G249 VanDerWaalsContact CA-O 3.26Å; G233-G249 WeakPolarHBondContact CA-O 3.27Å
234G63.7Low62.9Low44 Ų4435.9 Ų35.945%0.45427%0.267SS..SBendtrans66.527.217300000114.5G218 G249 G250G218-G234 WeakPolarHBondContact CA-O 3.17Å; G234-G249 PolarHBondContact N-O 3.39Å; G234-G250 WeakPolarHBondContact CA-O 3.32Å
235C66.3Low62.4Low2 Ų233.9 Ų33.91%0.01425%0.246CC..  trans-83.7140.4178.6-64.40000111.7C219 G233 C251 G252C219-C235 CarbonylContact O-C 3.45Å; C219-C235 WeakPolarHBondContact O-CA 3.26Å; C219-C235 WeakPolarHBondContact O-CB 3.33Å; G233-C235 VanDerWaalsContact C-N 3.3Å; G233-C235 PolarHBondContact O-N 3.3Å; C235-C251 CarbonylContact O-C 3.41Å; C235-C251 WeakPolarHBondContact O-CA 2.88Å; C235-G252 PolarHBondContact O-N 3.44Å
236G63.6Low61.9Low36 Ų3636.6 Ų36.637%0.37127%0.265SS..SBendtrans-61.2-47.2175.600000112.1C219 G220 G252 T253C219-G236 PolarHBondContact O-N 2.97Å; G220-G236 CarbonylContact O-C 3.42Å; G220-G236 VanDerWaalsContact O-CA 3.27Å; G220-G236 WeakPolarHBondContact O-CA 3.41Å; G220-G236 PolarHBondContact O-N 3.49Å; G236-G252 CarbonylContact O-C 3.51Å; G236-G252 VanDerWaalsContact O-CA 3.26Å; G236-G252 WeakPolarHBondContact O-CA 3.46Å; G236-G252 PolarHBondContact O-N 3.33Å; G236-T253 PolarHBondContact O-N 2.94Å
237S66.5Low61.4Low49 Ų4932.5 Ų32.534%0.34325%0.252SS..EExtended strand (participates in β ladder)trans-142.5137.6176.4-57.80000111.9G220 S221 C222 T253G220-S237 PolarHBondContact O-N 3.39Å; G220-S237 VanDerWaalsContact O-N 3.08Å; S221-S237 CarbonylContact C-O 3.43Å; S221-S237 VanDerWaalsContact CA-O 3.31Å; S221-S237 WeakPolarHBondContact CA-O 3.11Å; C222-S237 PolarHBondContact N-O 2.98Å; S237-T253 CarbonylContact C-O 3.44Å; S237-T253 WeakPolarHBondContact CA-O 3.36Å; S237-T253 WeakPolarHBondContact CA-OG1 3.26Å; S237-T253 VanDerWaalsContact CB-OG1 3.26Å; S237-T253 WeakPolarHBondContact CB-OG1 3.44Å; S237-T253 PolarHBondContact OG-OG1 3Å
238C63.1Low61.1Low9 Ų930.5 Ų30.56%0.06123%0.231CC..EExtended strand (participates in β ladder)trans-129.3129.8178.1-173.80000112.3C222 T253 C254 G255C222-C238 CarbonylContact O-C 3.5Å; C222-C238 VanDerWaalsContact O-CA 3.27Å; C222-C238 WeakPolarHBondContact O-CA 3.07Å; C222-C238 WeakPolarHBondContact SG-CB 3.13Å; C222-C238 PolarHBondContact SG-SG 3.47Å; C238-T253 PolarHBondContact N-O 2.83Å; C238-C254 CarbonylContact O-C 3.57Å; C238-C254 VanDerWaalsContact O-CA 3.26Å; C238-C254 WeakPolarHBondContact O-CA 3.42Å; C238-G255 PolarHBondContact O-N 3.34Å
239G62.9Low60.9Low18 Ų1831.9 Ų31.919%0.18625%0.245CC..EExtended strand (participates in β ladder)trans-179.8175.5178.600000119C222 G223 G224 C241 G255C222-G239 PolarHBondContact O-N 3.44Å; G223-G239 CarbonylContact C-O 3.54Å; G223-G239 WeakPolarHBondContact CA-O 2.95Å; G224-G239 PolarHBondContact N-O 3.11Å; G224-G239 VanDerWaalsContact N-O 3.13Å; G239-C241 VanDerWaalsContact C-N 3.34Å; G239-C241 PolarHBondContact O-N 3.1Å; G239-G255 WeakPolarHBondContact CA-O 3.31Å
240G63.5Low60.5Low41 Ų4134 Ų3442%0.42327%0.267SS..  trans7316.8171.400000116G224 G255 G256G224-G240 WeakPolarHBondContact CA-O 3.5Å; G240-G255 PolarHBondContact N-O 3.27Å; G240-G256 WeakPolarHBondContact CA-O 3.48Å; G240-G256 PolarHBondContact N-O 3.37Å
241C61.6Low60.8Low1 Ų130.8 Ų30.81%0.00725%0.246CC..  trans-85.7128.6178.2-67.60000111.4C225 G239 C257 K258C225-C241 WeakPolarHBondContact O-CA 3.09Å; G239-C241 VanDerWaalsContact C-N 3.34Å; G239-C241 PolarHBondContact O-N 3.1Å; C241-C257 WeakPolarHBondContact O-CA 3.3Å; C241-K258 PolarHBondContact O-N 2.92Å
242K60.1Low60.5Low133 Ų13330.2 Ų30.258%0.57825%0.247SC*.THydrogen-bonded Turntrans-72.6-30176.3-76.4-168.8176.6-170.60112.7C225C225-K242 PolarHBondContact O-N 2.93Å
243G57.7Low60.3Low48 Ų4833.2 Ų33.250%0.49527%0.266SS..THydrogen-bonded Turntrans-89.13.6-177.200000116.7K226K226-G243 PolarHBondContact O-N 3.06Å
244G55.5Low60Low3 Ų332.7 Ų32.73%0.03126%0.257CS..  trans76.5178.9-17500000114G228 C229 G259G228-G244 CarbonylContact C-O 3.44Å; G228-G244 WeakPolarHBondContact CA-O 3.47Å; C229-G244 PolarHBondContact N-O 3.35Å; G244-G259 WeakPolarHBondContact CA-O 3.42Å
245C58.5Low59.7Low1 Ų131.9 Ų31.91%0.00725%0.248CC..BIsolated β-bridgetrans-126.5121.1176.3-620000112.1C229 S247 C248 C261C229-C245 CarbonylContact O-C 3.56Å; C229-C245 WeakPolarHBondContact O-CA 3.3Å; C245-S247 PolarHBondContact O-N 3.04Å; C245-C248 VanDerWaalsContact CB-SG 3.58Å; C245-C261 WeakPolarHBondContact O-CA 3.24Å; C245-C261 WeakPolarHBondContact O-CB 3.47Å; C245-C261 PolarHBondContact O-SG 2.89Å
246S56.9Low59.1Low59 Ų5934.1 Ų34.141%0.41327%0.272SS..SBendtrans-72.1-30.4-171.7-400000113.9C229 C230 S262 S263C229-S246 PolarHBondContact O-N 2.97Å; C230-S246 VanDerWaalsContact O-CB 3.26Å; C230-S246 WeakPolarHBondContact O-CB 3.1Å; S246-S262 WeakPolarHBondContact O-CB 3.33Å; S246-S262 PolarHBondContact O-N 3.07Å; S246-S263 PolarHBondContact O-N 3.34Å
247S56.5Low58.6Low41 Ų4133.3 Ų33.329%0.28726%0.26SS..  trans-147.5129.6174.2-172.50000110.9C230 S231 C232 C245 S263C230-S247 PolarHBondContact O-N 3.37Å; S231-S247 CarbonylContact C-O 3.42Å; S231-S247 WeakPolarHBondContact CA-O 3.27Å; C232-S247 PolarHBondContact N-O 3.31Å; C245-S247 PolarHBondContact O-N 3.04Å; S247-S263 CarbonylContact C-O 3.51Å; S247-S263 WeakPolarHBondContact CA-O 3.41Å
248C58Low57.9Low3 Ų339.6 Ų39.62%0.0228%0.281CS..EExtended strand (participates in β ladder)trans-126.5112.8174.5-71.30000110C232 C245 S263 C264 G265C232-C248 CarbonylContact O-C 3.47Å; C232-C248 VanDerWaalsContact O-CA 3.28Å; C232-C248 WeakPolarHBondContact O-CA 2.88Å; C245-C248 VanDerWaalsContact CB-SG 3.58Å; C248-S263 PolarHBondContact N-O 3.48Å; C248-C264 WeakPolarHBondContact O-CA 3.21Å; C248-G265 PolarHBondContact O-N 2.89Å
249G55.9Low57.2Low31 Ų3140.4 Ų40.432%0.3229%0.291SS..EExtended strand (participates in β ladder)trans-123.8124.9-178.700000112.1C232 G233 G234 C251 G265C232-G249 PolarHBondContact O-N 3.32Å; G233-G249 CarbonylContact C-O 3.48Å; G233-G249 VanDerWaalsContact CA-O 3.26Å; G233-G249 WeakPolarHBondContact CA-O 3.27Å; G234-G249 PolarHBondContact N-O 3.39Å; G249-C251 VanDerWaalsContact C-N 3.35Å; G249-C251 PolarHBondContact O-N 3.04Å; G249-G265 CarbonylContact C-O 3.44Å; G249-G265 VanDerWaalsContact CA-O 3.28Å; G249-G265 WeakPolarHBondContact CA-O 3.33Å
250G57Low56.2Low45 Ų4542.9 Ų42.946%0.46431%0.305SS..SBendtrans67.728.7172.400000115.1G234 G265 G266G234-G250 WeakPolarHBondContact CA-O 3.32Å; G250-G265 PolarHBondContact N-O 3.24Å; G250-G266 WeakPolarHBondContact CA-O 3.38Å
251C59.8Low55.5Low2 Ų242.1 Ų42.11%0.01429%0.292CS..  trans-83.4139.9176.6-64.40000111.7C235 G249 C254 C267 G268C235-C251 CarbonylContact O-C 3.41Å; C235-C251 WeakPolarHBondContact O-CA 2.88Å; G249-C251 VanDerWaalsContact C-N 3.35Å; G249-C251 PolarHBondContact O-N 3.04Å; C251-C254 WeakPolarHBondContact CB-SG 3.37Å; C251-C267 VanDerWaalsContact O-CA 3.24Å; C251-C267 WeakPolarHBondContact O-CA 3.43Å; C251-G268 PolarHBondContact O-N 3.02Å
252G57.5Low54.8Low36 Ų3646.3 Ų46.337%0.37132%0.322SS..SBendtrans-63-56.7176.900000112.1C235 G236 G268 S269C235-G252 PolarHBondContact O-N 3.44Å; G236-G252 CarbonylContact O-C 3.51Å; G236-G252 VanDerWaalsContact O-CA 3.26Å; G236-G252 WeakPolarHBondContact O-CA 3.46Å; G236-G252 PolarHBondContact O-N 3.33Å; G252-G268 CarbonylContact O-C 3.55Å; G252-G268 WeakPolarHBondContact O-CA 3.37Å; G252-G268 PolarHBondContact O-N 3.04Å; G252-S269 PolarHBondContact O-N 2.9Å
253T59.1Low54.3Low64 Ų6442.5 Ų42.539%0.39331%0.312SS..EExtended strand (participates in β ladder)trans-129144174.763.50000112.4G236 S237 C238 S269G236-T253 PolarHBondContact O-N 2.94Å; S237-T253 CarbonylContact C-O 3.44Å; S237-T253 WeakPolarHBondContact CA-O 3.36Å; S237-T253 WeakPolarHBondContact CA-OG1 3.26Å; S237-T253 VanDerWaalsContact CB-OG1 3.26Å; S237-T253 WeakPolarHBondContact CB-OG1 3.44Å; S237-T253 PolarHBondContact OG-OG1 3Å; C238-T253 PolarHBondContact N-O 2.83Å; T253-S269 WeakPolarHBondContact CA-O 3.39Å
254C57.1Low53.9Low21 Ų2141 Ų4114%0.14229%0.293CS..EExtended strand (participates in β ladder)trans-136129.4175.7-73.80000111.6C238 C251 S269 C270 G271C238-C254 CarbonylContact O-C 3.57Å; C238-C254 VanDerWaalsContact O-CA 3.26Å; C238-C254 WeakPolarHBondContact O-CA 3.42Å; C251-C254 WeakPolarHBondContact CB-SG 3.37Å; C254-S269 PolarHBondContact N-O 3.37Å; C254-C270 WeakPolarHBondContact O-CA 3.26Å; C254-G271 PolarHBondContact O-N 2.82Å
255G56.4Low53.6Low26 Ų2642.3 Ų42.327%0.26831%0.307SS..EExtended strand (participates in β ladder)trans-174.6164.3175.600000117C238 G239 G240 C257 G271C238-G255 PolarHBondContact O-N 3.34Å; G239-G255 WeakPolarHBondContact CA-O 3.31Å; G240-G255 PolarHBondContact N-O 3.27Å; G255-C257 PolarHBondContact O-N 2.99Å; G255-G271 WeakPolarHBondContact CA-O 3.26Å
256G54.6Low53.1Low50 Ų5045 Ų4552%0.51534%0.336SS..  trans77.717.4171.900000116.6G240G240-G256 WeakPolarHBondContact CA-O 3.48Å; G240-G256 PolarHBondContact N-O 3.37Å
257C53.1Low52.8Low18 Ų1842.6 Ų42.612%0.12232%0.318CS..  trans-84.7134.6172.8-66.20000110.8C241 G255 G259C241-C257 WeakPolarHBondContact O-CA 3.3Å; G255-C257 PolarHBondContact O-N 2.99Å; C257-G259 VanDerWaalsContact C-N 3.34Å
258K50.8Low52.4Low182 Ų18242.6 Ų42.679%0.79133%0.325SS*.SBendtrans-83.2-4176.5-84.2-166174.9-164.50114.2C241C241-K258 PolarHBondContact O-N 2.92Å
259G48.1Very low52Low26 Ų2645.1 Ų45.127%0.26834%0.343SS..SBendtrans-126.2154.5179.200000112.9G244 C257G244-G259 WeakPolarHBondContact CA-O 3.42Å; C257-G259 VanDerWaalsContact C-N 3.34Å
260C41.6Very low51.7Low70 Ų7044.8 Ų44.847%0.47334%0.335SS..  trans-64.4147.3-173.9-58.40000113.3S275C260-S275 PolarHBondContact SG-O 3.32Å; C260-S275 VanDerWaalsContact SG-O 3.42Å
261C50.2Low51.4Low24 Ų2444.4 Ų44.416%0.16233%0.331CS..  trans-93.6127.2164.9-61.20000111.4C245 C264C245-C261 WeakPolarHBondContact O-CA 3.24Å; C245-C261 WeakPolarHBondContact O-CB 3.47Å; C245-C261 PolarHBondContact O-SG 2.89Å; C261-C264 WeakPolarHBondContact CB-SG 3.33Å
262S46.4Very low50.7Low90 Ų9046.3 Ų46.363%0.62935%0.352SS*.SBendtrans-82.9-20-176.6-47.30000113.6S246S246-S262 WeakPolarHBondContact O-CB 3.33Å; S246-S262 PolarHBondContact O-N 3.07Å
263S48.8Very low49.9Very low52 Ų5246.1 Ų46.136%0.36434%0.344SS..  trans-153.1117.9173.3-169.30000110.2S246 S247 C248S246-S263 PolarHBondContact O-N 3.34Å; S247-S263 CarbonylContact C-O 3.51Å; S247-S263 WeakPolarHBondContact CA-O 3.41Å; C248-S263 PolarHBondContact N-O 3.48Å
264C50.1Low48.8Very low16 Ų1645.8 Ų45.811%0.10835%0.353CS..EExtended strand (participates in β ladder)trans-119.6128.7172.3-72.90000109.2C248 C261 G281C248-C264 WeakPolarHBondContact O-CA 3.21Å; C261-C264 WeakPolarHBondContact CB-SG 3.33Å; C264-G281 WeakPolarHBondContact O-CA 3.39Å; C264-G281 PolarHBondContact O-N 3.45Å
265G48.4Very low48Very low31 Ų3147.9 Ų47.932%0.3237%0.368SS..EExtended strand (participates in β ladder)trans-143.4128.2175.300000111.9C248 G249 G250C248-G265 PolarHBondContact O-N 2.89Å; G249-G265 CarbonylContact C-O 3.44Å; G249-G265 VanDerWaalsContact CA-O 3.28Å; G249-G265 WeakPolarHBondContact CA-O 3.33Å; G250-G265 PolarHBondContact N-O 3.24Å
266G48.8Very low47.2Very low59 Ų5947.7 Ų47.761%0.60836%0.362SS*.SBendtrans73.929.9171.300000115.7G250G250-G266 WeakPolarHBondContact CA-O 3.38Å
267C51Low46.5Very low7 Ų747.5 Ų47.55%0.04736%0.36CS..  trans-81.1133.2173.7-63.10000111.5C251C251-C267 VanDerWaalsContact O-CA 3.24Å; C251-C267 WeakPolarHBondContact O-CA 3.43Å
268G47.5Very low46Very low42 Ų4248.3 Ų48.343%0.43337%0.371SS..SBendtrans-70.1-39-178.700000114C251 G252C251-G268 PolarHBondContact O-N 3.02Å; G252-G268 CarbonylContact O-C 3.55Å; G252-G268 WeakPolarHBondContact O-CA 3.37Å; G252-G268 PolarHBondContact O-N 3.04Å
269S50.3Low45.6Very low55 Ų5540.2 Ų40.239%0.38534%0.338SS..EExtended strand (participates in β ladder)trans-150.9130.5175.2-68.20000112.2G252 T253 C254G252-S269 PolarHBondContact O-N 2.9Å; T253-S269 WeakPolarHBondContact CA-O 3.39Å; C254-S269 PolarHBondContact N-O 3.37Å
270C50.2Low45Very low25 Ų2547.8 Ų47.817%0.16936%0.363CS..EExtended strand (participates in β ladder)trans-115.1123.1179.5-70.30000110.6C254 S285 G287C254-C270 WeakPolarHBondContact O-CA 3.26Å; C270-S285 PolarHBondContact N-O 3.13Å; C270-G287 PolarHBondContact O-N 3.22Å; C270-G287 VanDerWaalsContact O-N 3.07Å
271G48.8Very low45.2Very low36 Ų3645.6 Ų45.637%0.37135%0.352SS..EExtended strand (participates in β ladder)trans-113.4132.3175.500000112.7C254 G255C254-G271 PolarHBondContact O-N 2.82Å; G255-G271 WeakPolarHBondContact CA-O 3.26Å
272G46.6Very low44.7Very low43 Ų4346.3 Ų46.344%0.44336%0.364SS..  trans49.573.4157.300000116.7G287 G288G272-G287 PolarHBondContact N-O 3.42Å; G272-G288 WeakPolarHBondContact CA-O 2.92Å
273C39.2Very low44.6Very low32 Ų3243 Ų4322%0.21634%0.341CS..  trans-95.9130.2168.2-65.10000110.3S275 C276C273-S275 VanDerWaalsContact C-N 3.26Å; C273-S275 PolarHBondContact O-N 2.95Å; C273-C276 WeakPolarHBondContact CB-SG 3.17Å
274G36.9Very low44.2Very low56 Ų5642.5 Ų42.558%0.57734%0.344SS*.SBendtrans-68.5-21.1-179.500000114.4
275S39.6Very low43.8Very low65 Ų6544.4 Ų44.446%0.45536%0.357SS..  trans-164.6115.5169.8-74.10000108.4C260 C273C260-S275 PolarHBondContact SG-O 3.32Å; C260-S275 VanDerWaalsContact SG-O 3.42Å; C273-S275 VanDerWaalsContact C-N 3.26Å; C273-S275 PolarHBondContact O-N 2.95Å
276C41.1Very low43.7Very low23 Ų2344 Ų4416%0.15535%0.349CS..EExtended strand (participates in β ladder)trans-101.7107170.2-83.40000107.9C273 G293C273-C276 WeakPolarHBondContact CB-SG 3.17Å; C276-G293 PolarHBondContact O-N 3.36Å
277G39.5Very low43.4Very low45 Ų4543 Ų4346%0.46434%0.339SS..EExtended strand (participates in β ladder)trans-109110.4167.300000109.3
278G41.4Very low43.1Very low35 Ų3544.2 Ų44.236%0.36135%0.353SS..  trans94.142.1162.400000118.5K280G278-K280 PolarHBondContact O-N 2.99Å
279C42.5Very low42.8Very low13 Ų1343.5 Ų43.59%0.08834%0.34CS..  trans-68117.3165.1-64.70000110.5K296C279-K296 PolarHBondContact O-N 3.49Å
280K37.1Very low42.2Very low185 Ų18543.3 Ų43.380%0.80435%0.348SS*.  trans-86.1-13.3171.3-80.6-174.3176.3-179.90113.7G278G278-K280 PolarHBondContact O-N 2.99Å
281G44.2Very low41.7Very low23 Ų2345.9 Ų45.924%0.23737%0.365CS..SBendtrans-116.7150.4178.300000112.9C264C264-G281 WeakPolarHBondContact O-CA 3.39Å; C264-G281 PolarHBondContact O-N 3.45Å
282G40.8Very low41.4Very low40 Ų4047.7 Ų47.741%0.41237%0.372SS..  trans-72152.8-179.400000114G298G282-G298 WeakPolarHBondContact CA-O 3.36Å
283C42.8Very low41.1Very low21 Ų2147.9 Ų47.914%0.14237%0.374CS..BIsolated β-bridgetrans-113.3137.5177.2-70.70000110.6C286 G300C283-C286 WeakPolarHBondContact CB-SG 3.44Å; C283-G300 PolarHBondContact O-N 3Å
284G40.8Very low41.2Very low41 Ų4148.9 Ų48.942%0.42339%0.39SS..SBendtrans-64.9-54.917800000113.4G300 S301G284-G300 WeakPolarHBondContact O-CA 3.44Å; G284-G300 PolarHBondContact O-N 3.44Å; G284-S301 PolarHBondContact O-N 3.05Å
285S42.9Very low41.4Very low56 Ų5649 Ų4939%0.39238%0.381SS..  trans-139.1127.8177.6-66.50000110.7C270C270-S285 PolarHBondContact N-O 3.13Å
286C46.1Very low41.3Very low23 Ų2355.5 Ų55.516%0.15540%0.401CS..EExtended strand (participates in β ladder)trans-116.9118.9179.7-77.70000110.7C283 S301 G303C283-C286 WeakPolarHBondContact CB-SG 3.44Å; C286-S301 PolarHBondContact N-O 3.07Å; C286-G303 PolarHBondContact O-N 3.12Å
287G43Very low41.4Very low37 Ų3755.4 Ų55.438%0.38140%0.404SS..EExtended strand (participates in β ladder)trans-100124.8170.800000112C270 G272C270-G287 PolarHBondContact O-N 3.22Å; C270-G287 VanDerWaalsContact O-N 3.07Å; G272-G287 PolarHBondContact N-O 3.42Å
288G44.6Very low41.5Very low33 Ų3355.5 Ų55.534%0.3441%0.405SS..  trans44.295.2164.300000117.8G272 G303 G304G272-G288 WeakPolarHBondContact CA-O 2.92Å; G288-G303 PolarHBondContact N-O 3.3Å; G288-G303 VanDerWaalsContact N-O 3.09Å; G288-G304 WeakPolarHBondContact CA-O 3.32Å
289C40Very low41.6Very low26 Ų2655 Ų5518%0.17640%0.395CS..  trans-102.4133.7169.8-63.40000110.4C292C289-C292 WeakPolarHBondContact CB-SG 3.44Å
290G37.9Very low41.5Very low52 Ų5256.2 Ų56.254%0.53641%0.411SS..SBendtrans-80.2-22179.800000114.6
291S39.9Very low41.8Very low78 Ų7850 Ų5055%0.54539%0.391SS..  trans-162.1113.8171.2-75.70000108.4
292C42.4Very low41.9Very low74 Ų7450.2 Ų50.250%0.539%0.388SS..EExtended strand (participates in β ladder)trans-103.1110.3177.7-98.50000109.7C289C289-C292 WeakPolarHBondContact CB-SG 3.44Å
293G39.6Very low41.9Very low47 Ų4750.2 Ų50.249%0.48539%0.388SS..EExtended strand (participates in β ladder)trans-95.7101.116800000110C276C276-G293 PolarHBondContact O-N 3.36Å
294G41.9Very low41.9Very low54 Ų5452 Ų5256%0.55741%0.41SS*.  trans49.881.7162.500000117.1
295C41.9Very low42Very low58 Ų5852.9 Ų52.939%0.39241%0.409SS..  trans-75.8127.2159.9-65.10000109.1
296K36.9Very low41.8Very low201 Ų20161 Ų6187%0.87444%0.438SS*.SBendtrans-86.1-8.9173.3-85.1-171.3174.5-174.10113.3C279C279-K296 PolarHBondContact O-N 3.49Å
297G43.1Very low41.6Very low21 Ų2161.7 Ų61.722%0.21645%0.448CS..SBendtrans-116.9136.8175.400000111.2
298G41.4Very low41.2Very low47 Ų4763.6 Ų63.649%0.48547%0.468SS..  trans-64.9161.7-175.300000115.1G282G282-G298 WeakPolarHBondContact CA-O 3.36Å
299C43.7Very low41Very low24 Ų2465.5 Ų65.516%0.16248%0.475CS..BIsolated β-bridgetrans-111.4133177-70.20000110.4
300G41.2Very low40.9Very low40 Ų4069.9 Ų69.941%0.41251%0.506SS..SBendtrans-71.5-36.6179.900000114.7C283 G284C283-G300 PolarHBondContact O-N 3Å; G284-G300 WeakPolarHBondContact O-CA 3.44Å; G284-G300 PolarHBondContact O-N 3.44Å
301S42.1Very low41Very low55 Ų5572.6 Ų72.639%0.38552%0.517SS..  trans-153.5130.6174.3-76.50000111.2G284 C286G284-S301 PolarHBondContact O-N 3.05Å; C286-S301 PolarHBondContact N-O 3.07Å
302C45.9Very low41.2Very low26 Ų2672.7 Ų72.718%0.17652%0.516CS..EExtended strand (participates in β ladder)trans-117.8124.2179.1-76.40000110.6
303G41.2Very low41.1Very low40 Ų4073.4 Ų73.441%0.41254%0.537SS..EExtended strand (participates in β ladder)trans-111.5121.8172.300000111.9C286 G288C286-G303 PolarHBondContact O-N 3.12Å; G288-G303 PolarHBondContact N-O 3.3Å; G288-G303 VanDerWaalsContact N-O 3.09Å
304G44.1Very low41.4Very low59 Ų5973.4 Ų73.461%0.60854%0.537SS*.  trans60.984.6161.500000117.2G288G288-G304 WeakPolarHBondContact CA-O 3.32Å
305C43.1Very low41.5Very low60 Ų6073.1 Ų73.141%0.40553%0.526SS..  trans-92.8122.3165.3-630000109.7G307 C309C305-G307 VanDerWaalsContact C-N 3.34Å; C305-C309 VanDerWaalsContact SG-SG 3.69Å
306K38Very low41.5Very low227 Ų22773.5 Ų73.599%0.98754%0.54SS*.SBendtrans-86.5-1173.3-96.6-174.4175.5-176.90113.7
307G41.2Very low41.6Very low36 Ų3667.5 Ų67.537%0.37152%0.523SS..SBendtrans-130.4132.7172.800000109.3C305 C309C305-G307 VanDerWaalsContact C-N 3.34Å; G307-C309 PolarHBondContact O-N 3.21Å
308G35.2Very low41.5Very low78 Ų7871.1 Ų71.180%0.80454%0.543SS*.  trans-52.8132.5-169.700000114.3S310G308-S310 PolarHBondContact O-N 3.35Å
309C39.5Very low41.3Very low72 Ų7271.3 Ų71.349%0.48655%0.546SS..  trans-80.2100.8171.1-65.50000109.7C305 G307 S311C305-C309 VanDerWaalsContact SG-SG 3.69Å; G307-C309 PolarHBondContact O-N 3.21Å; C309-S311 VanDerWaalsContact C-N 3.34Å
310S39Very low40.8Very low119 Ų11975.7 Ų75.783%0.83258%0.575SS**SBendtrans-85.92.1177.8-49.10000114.5G308G308-S310 PolarHBondContact O-N 3.35Å
311S40.2Very low40.8Very low108 Ų10879.7 Ų79.776%0.75560%0.596SS**  trans-166.683.4173.4-92.10000111.1C309C309-S311 VanDerWaalsContact C-N 3.34Å
312C44.1Very low40.4Very low80 Ų8085.9 Ų85.954%0.54162%0.619SS.*  trans-106.586.2163.8-81.80000108.9G314C312-G314 VanDerWaalsContact C-N 3.29Å; C312-G314 PolarHBondContact O-N 3.36Å; C312-G314 VanDerWaalsContact O-N 3.12Å
313G40.3Very low39.9Very low90 Ų9090 Ų9093%0.92865%0.648SS**SBendtrans-81.170170.300000111.6
314G44.6Very low39.6Very low47 Ų4793.5 Ų93.549%0.48567%0.666SS.*  trans126.474.6169.600000115.9C312C312-G314 VanDerWaalsContact C-N 3.29Å; C312-G314 PolarHBondContact O-N 3.36Å; C312-G314 VanDerWaalsContact O-N 3.12Å
315C44.7Very low39.3Very low48 Ų4896.7 Ų96.732%0.32468%0.677SS.*BIsolated β-bridgetrans-105.9129.1164.4-730000109.5
316G41.5Very low39Very low66 Ų66100.5 Ų100.568%0.6870%0.703SS**SBendtrans-75.2-29.6-179.500000114.9
317S39.6Very low38.4Very low75 Ų7598.8 Ų98.852%0.52470%0.696SS.*  trans-153.7119.7176.2-60.70000110
318C39.9Very low37.8Very low96 Ų96102.7 Ų102.765%0.64971%0.714SS**EExtended strand (participates in β ladder)trans-106.3110.6177.1-1540000109.2C320C318-C320 PolarHBondContact O-N 3.07Å; C318-C320 VanDerWaalsContact O-N 3.11Å
319G37.4Very low37.5Very low52 Ų52105 Ų10554%0.53672%0.717SS.*EExtended strand (participates in β ladder)trans-76.196.7176.800000110.6
320C34.8Very low37Very low115 Ų115107.2 Ų107.278%0.77773%0.732SS**  trans32104.8160.4-56.20000117.8C318 Q322C318-C320 PolarHBondContact O-N 3.07Å; C318-C320 VanDerWaalsContact O-N 3.11Å; C320-Q322 PolarHBondContact O-N 3.02Å; C320-Q322 VanDerWaalsContact O-N 3.13Å
321C40.2Very low36.7Very low125 Ų125107.9 Ų107.985%0.84574%0.735SS**  trans-61.3108.4157-68.20000109.2S323C321-S323 PolarHBondContact O-N 3.04Å
322Q33.3Very low36.4Very low185 Ų185111.4 Ų111.486%0.86474%0.74SS**  trans-69.6100166.9-79.2-167-34.600109.5C320 S324C320-Q322 PolarHBondContact O-N 3.02Å; C320-Q322 VanDerWaalsContact O-N 3.13Å; Q322-S324 PolarHBondContact O-N 3.09Å
323S35.1Very low35.6Very low112 Ų112112.9 Ų112.978%0.78375%0.751SS**SBendtrans4178.6138-41.20000117.8C321C321-S323 PolarHBondContact O-N 3.04Å
324S35.8Very low35.3Very low113 Ų113114 Ų11479%0.7974%0.744SS**SBendtrans-177.3129.7135.224.90000110.4Q322Q322-S324 PolarHBondContact O-N 3.09Å
325C37.3Very low35Very low127 Ų127117.6 Ų117.686%0.85876%0.761SS**  trans84.152.9-179.1-56.80000117.5K327C325-K327 VanDerWaalsContact C-N 3.25Å; C325-K327 PolarHBondContact O-N 3.11Å
326C36.5Very low34.4Very low140 Ų140121.7 Ų121.795%0.94679%0.788SS**  trans-73.888.2140.6-73.90000108.1
327K26.2Very low33.7Very low190 Ų190127.8 Ų127.883%0.82680%0.796SS**  trans-101.5115.8155.9-141.9173-174.8175.20105.3C325 C329C325-K327 VanDerWaalsContact C-N 3.25Å; C325-K327 PolarHBondContact O-N 3.11Å; K327-C329 PolarHBondContact O-N 3.46Å
328P29.3Very low33.5Very low118 Ų118129.9 Ų129.977%0.76681%0.808SS**  trans-72.5101.8-170.728.3-31.3000109C330P328-C330 PolarHBondContact O-N 3.13Å
329C27.7Very low32.9Very low127 Ų127131.2 Ų131.286%0.85882%0.817SS**  trans-76.9105.8160.7-78.70000106.8K327 C331K327-C329 PolarHBondContact O-N 3.46Å; C329-C331 PolarHBondContact O-N 2.88Å
330C29Very low32.7Very low118 Ų118134.2 Ų134.280%0.79783%0.828SS**  trans-45.6131.1-179.4-71.70000111.9P328 Q332P328-C330 PolarHBondContact O-N 3.13Å; C330-Q332 PolarHBondContact O-N 3.1Å; C330-Q332 VanDerWaalsContact O-N 3.1Å
331C33.9Very low32.7Very low134 Ų134134.5 Ų134.591%0.90583%0.83SS**  trans-50.8111.8164.6-60.10000109.7C329C329-C331 PolarHBondContact O-N 2.88Å
332Q32.3Very low32.5Very low182 Ų182136.9 Ų136.985%0.8583%0.829SS**  trans-104.4137.4152.7-89.4-156.4-41.900108.8C330C330-Q332 PolarHBondContact O-N 3.1Å; C330-Q332 VanDerWaalsContact O-N 3.1Å
333S28Very low32.5Very low111 Ų111133.2 Ų133.278%0.77682%0.824SS**SBendtrans100.982.1173.7-39.30000114.9
334S33.4Very low32.9Very low113 Ų113133.1 Ų133.179%0.7982%0.823SS**  40.9116.9120-42.20000119
335C39Very low33.3Very low123 Ų123133.4 Ų133.483%0.83182%0.824SS**  trans72.385149.1-61.30000118.7
336C32Very low33.4Very low133 Ų133133.7 Ų133.790%0.89983%0.825SS**  trans-153.1129130.9-92.60000109.7
337K27.7Very low33.1Very low195 Ų195136.4 Ų136.485%0.84882%0.821SS**  trans-47.3139.7177.8-100.4166.9167169.70112.5C339K337-C339 PolarHBondContact O-N 3.43Å
338P33.7Very low33.3Very low118 Ų118133 Ų13377%0.76682%0.819SS**  trans-76.5108.7171.230.4-28.8000109.5C340P338-C340 PolarHBondContact O-N 3.26Å
339C29Very low33.4Very low125 Ų125133.1 Ų133.185%0.84582%0.821SS**  trans-75.8105.1153.1-81.20000106.9K337 C341K337-C339 PolarHBondContact O-N 3.43Å; C339-C341 PolarHBondContact O-N 3.02Å
340C31.6Very low33.7Very low114 Ų114132.7 Ų132.777%0.7782%0.818SS**  trans-56.8108.2173.7-700000110.5P338 Q342P338-C340 PolarHBondContact O-N 3.26Å; C340-Q342 VanDerWaalsContact C-N 3.33Å; C340-Q342 PolarHBondContact O-N 3.5Å
341C35.3Very low34Very low121 Ų121133.6 Ų133.682%0.81882%0.824SS**  trans-68.896.3155.8-73.80000107.8C339 S343C339-C341 PolarHBondContact O-N 3.02Å; C341-S343 VanDerWaalsContact C-N 3.31Å; C341-S343 PolarHBondContact O-N 2.98Å
342Q37Very low34Very low176 Ų176135.2 Ų135.282%0.82282%0.818SS**  trans-64.294.1159.6-84.6-165.7-46.100108.4C340C340-Q342 VanDerWaalsContact C-N 3.33Å; C340-Q342 PolarHBondContact O-N 3.5Å
343S33Very low34Very low107 Ų107132.2 Ų132.275%0.74882%0.815SS**  trans-96.895.3164.1-61.30000108.3C341 C345C341-S343 VanDerWaalsContact C-N 3.31Å; C341-S343 PolarHBondContact O-N 2.98Å; S343-C345 VanDerWaalsContact C-N 3.32Å; S343-C345 PolarHBondContact O-N 3.17Å
344S42.8Very low34.6Very low111 Ų111131.9 Ų131.978%0.77681%0.812SS**  trans-56.278.8173.7-42.40000112.1
345C44.7Very low34.6Very low119 Ų119132.1 Ų132.180%0.80481%0.813SS**  trans-157.354.5174.5-105.20000113.5S343S343-C345 VanDerWaalsContact C-N 3.32Å; S343-C345 PolarHBondContact O-N 3.17Å
346C38.9Very low34.5Very low132 Ų132136.3 Ų136.389%0.89284%0.841SS**  trans-148.391.5151.8-81.90000108.8
347K30.2Very low34.6Very low198 Ų198136.5 Ų136.586%0.86184%0.838SS**  trans-123.2105.5162.7-157.6177.1-171.2177.20107.7
348P31.6Very low35Very low119 Ų119133.4 Ų133.477%0.77384%0.837SS**PPolyproline II helixtrans-89.2135.7146.32.516.5000108.4
349C30.7Very low35.1Very low120 Ų120134.2 Ų134.281%0.81184%0.841SS**PPolyproline II helixtrans-61.9152.2175.6-75.20000112.7
350C34.4Very low35.4Very low118 Ų118134.8 Ų134.880%0.79784%0.841SS**PPolyproline II helixtrans-49.7147.5-174.4-49.60000116.9
351C34.5Very low35.7Very low137 Ų137136.1 Ų136.193%0.92685%0.846SS**  -147.4127.3125-91.10000108.7
352Q33.8Very low35.7Very low167 Ų167137.1 Ų137.178%0.7885%0.848SS**PPolyproline II helixtrans-67.9161.9-168.3-67.6167.1-110.800115.2
353P33Very low35.6Very low120 Ų120134.3 Ų134.378%0.77985%0.849SS**PPolyproline II helixtrans-97.4123.1138.231.7-22000110.2
354S39.4Very low35.8Very low103 Ų103136.4 Ų136.472%0.7286%0.857SS**PPolyproline II helixtrans-79.6121.1166.3-43.90000108.5
355C34.7Very low35.2Very low119 Ų119138.5 Ų138.580%0.80486%0.864SS**  trans-134.8111.9160.7-65.80000108.8
356C36.6Very low34.3Very low210 Ų210140.3 Ų140.3100%1.41987%0.869SS**  trans-124.80134-80.20000105.7

Retrieved 356 of 356 residues in 397.3 ms (Link to these results)