A0A087XT90_POEFO Loading...

Speckle type BTB/POZ protein like a

AlphaFold DB , UniProt , Accession A0A087XT90, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 393 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

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
1M33Very low34.4Very low237 Ų237137.7 Ų137.7100%1.16782%0.824SS**  0100.50-72.5-172.1174.200106.5
2S28.1Very low34.2Very low102 Ų102141.8 Ų141.871%0.71383%0.828SS**  89.9119.490.263.10000114.7
3R27.1Very low33.7Very low236 Ų236144.7 Ų144.789%0.89183%0.833SS**  trans62.2108.4143.1-63.9179.3177.9-170.7-1.8118.2
4V40.8Very low33.5Very low125 Ų125141.9 Ų141.976%0.75883%0.826SS**  74.7131.376.61770000114
5P28.4Very low33.5Very low125 Ų125140.6 Ų140.681%0.81283%0.828SS**  trans-112.5146.7145.68.712.5000113.3
6T39.4Very low33Very low134 Ų134135.1 Ų135.182%0.82281%0.81SS**  trans-86.3173.8-174.816.80000114.3
7P38.4Very low32.8Very low110 Ų110134.8 Ų134.871%0.71481%0.812SS**  trans-110.6-179.2-148.743.3-37.8000116
8P30.8Very low32.8Very low119 Ų119134.9 Ų134.977%0.77381%0.813SS**  trans-111.2174.3159.938.3-23.9000113.2
9P38.9Very low32.4Very low120 Ų120132.9 Ų132.978%0.77981%0.813SS**  trans-94.5173.9-142.438.6-36.5000115.8
10P42.1Very low32Very low130 Ų130135.2 Ų135.284%0.84481%0.813SS**  trans-92.8145.2-17335.6-30.2000113.4
11G31.5Very low31.6Very low77 Ų77133.2 Ų133.279%0.79481%0.806SS**  trans-153.199.2165.300000109
12E31.8Very low31.2Very low186 Ų186133.3 Ų133.387%0.86979%0.794SS**  trans-67.2144.5175.9-66.8175.5147.800111.4
13M27.8Very low31.1Very low180 Ų180132.6 Ų132.689%0.88779%0.787SS**  -175.7108.5109.6-92.7-176.789.300111.1
14S30.5Very low31Very low106 Ų106128.9 Ų128.974%0.74178%0.775SS**  trans55.690.1135-167.50000119.3G16S14-G16 PolarHBondContact O-N 2.85Å
15S34.5Very low30.5Very low122 Ų122125.7 Ų125.785%0.85376%0.756SS**  trans-74.8105.2145.854.30000108.8
16G25.8Very low30.3Very low53 Ų53126.3 Ų126.355%0.54675%0.747SS.*PPolyproline II helixtrans-65.2144.3171.800000111.5S14 V18S14-G16 PolarHBondContact O-N 2.85Å; G16-V18 PolarHBondContact O-N 3.22Å
17P28.1Very low29.8Very low130 Ų130122.6 Ų122.684%0.84472%0.724SS**PPolyproline II helixtrans-70.5129.9-179.322.4-21.5000110.9
18V34Very low29.1Very low137 Ų137120.1 Ų120.183%0.8371%0.71SS**PPolyproline II helixtrans-75.4117.6162.4175.30000106.6G16G16-V18 PolarHBondContact O-N 3.22Å
19A24.6Very low28.9Very low97 Ų97121.6 Ų121.680%0.80270%0.701SS**  trans-99.5112.9177.800000110.6
20E25.6Very low28.2Very low177 Ų177119.6 Ų119.683%0.82769%0.688SS**  trans-84.3110.3163.5-68178.1158.600108.5
21S23.1Very low27.5Very low95 Ų95122.5 Ų122.566%0.66469%0.688SS**  trans94.5142.4144.1800000123.4
22W24.7Very low27.7Very low239 Ų239126.1 Ų126.191%0.90568%0.682SS**  trans65.4125.4163.7-40.882.1000122.2
23C25.4Very low27.5Very low86 Ų86121.3 Ų121.358%0.58167%0.668SS**  trans-125.1146.4167-60.70000111.8
24Y24.9Very low27.4Very low159 Ų159121.3 Ų121.362%0.62466%0.663SS**  trans-111.6141.6-177-164.9-87.4000110.5C337Y24-C337 WeakPolarHBondContact CE2-SG 3.37Å; Y24-C337 PolarHBondContact OH-SG 3.33Å
25T29.7Very low27Very low58 Ų58124 Ų12436%0.35667%0.666SS.*  trans-109.8127.3174.9-51.60000110.4V27 T56T25-V27 HydrophobicContact CG2-CG2 4.3Å; T25-T56 HydrophobicContact CG2-CG2 4.44Å
26Q25Very low26.5Very low137 Ų137124.3 Ų124.364%0.6467%0.665SS**  trans-102.6119.3173.6-153.1177.616.700109.1L48Q26-L48 HydrophobicContact CB-CD1 4.18Å
27V29.3Very low26.5Very low56 Ų56126.5 Ų126.534%0.33967%0.672SS.*  trans-104.9130178-179.70000108.3T25 Y29T25-V27 HydrophobicContact CG2-CG2 4.3Å; V27-Y29 HydrophobicContact CG1-CE1 4.15Å; V27-Y29 HydrophobicContact CG1-CE2 4.25Å
28S23.9Very low26.4Very low59 Ų59126 Ų12641%0.41367%0.67SS.*  trans-121.7132.1171.9176.30000109.2
29Y25.8Very low26.2Very low149 Ų149127.4 Ų127.458%0.58467%0.665SS**  trans-101.4122.6-173.4-58.1-88.4000111.3V27V27-Y29 HydrophobicContact CG1-CE1 4.15Å; V27-Y29 HydrophobicContact CG1-CE2 4.25Å
30P24.6Very low26.2Very low79 Ų79128 Ų12851%0.51365%0.651SS.*  trans-100.2120.9153.720.5-4.7000110.4
31K27.2Very low26.4Very low190 Ų190123.6 Ų123.683%0.82663%0.63SS**  trans11.5134.9159.5-65.6176.4178.5176.80120.2
32F34.8Very low26.7Very low153 Ų153123.2 Ų123.267%0.67161%0.614SS**  trans-66.8131.1161.8-62.8-87.8000111.3L43F32-L43 HydrophobicContact CE1-CD2 4.45Å
33C27.6Very low27.3Very low85 Ų85113.8 Ų113.857%0.57458%0.581SS**  trans-106.9104.3164.7-101.20000109.5M35C33-M35 PolarHBondContact O-N 2.99Å
34K27.1Very low27.8Very low180 Ų180113 Ų11378%0.78357%0.566SS**  trans-75.2110.5156.5-102-179.9173.8178.90106.3
35M22.3Very low28.7Very low163 Ų163106.9 Ų106.980%0.80355%0.547SS*.  trans-87.8137162.1-80.2-154.9-173.900109.5C33 S37C33-M35 PolarHBondContact O-N 2.99Å; M35-S37 PolarHBondContact O-N 3.37Å; M35-S37 VanDerWaalsContact O-N 3.09Å
36P24.1Very low29Very low129 Ų129105.2 Ų105.284%0.83854%0.535SS*.SBendtrans-81.188.8174.532.2-29.8000109.1
37S25.6Very low29.9Very low99 Ų9998.8 Ų98.869%0.69251%0.505SS*.SBendtrans178.8113.2150.829.10000108.5M35M35-S37 PolarHBondContact O-N 3.37Å; M35-S37 VanDerWaalsContact O-N 3.09Å
38C25.7Very low30.4Very low118 Ų11898.2 Ų98.280%0.79750%0.5SS*.SBendtrans58.682.1171.9-61.10000116.5Q40C38-Q40 PolarHBondContact O-N 2.86Å
39F28.4Very low31.4Very low168 Ų16895.9 Ų95.974%0.73748%0.482SS*.  trans11.863.9158-62.9-84000119.1F41F39-F41 HydrophobicContact CD1-CE2 4.47Å; F39-F41 HydrophobicContact CD1-CZ 4.42Å
40Q25.9Very low32.1Very low109 Ų10994 Ų9451%0.50948%0.482SS..  trans-108.2120.6159.1-83.8-179.4-1900109.4C38C38-Q40 PolarHBondContact O-N 2.86Å
41F30.2Very low32.8Very low85 Ų8593.2 Ų93.237%0.37347%0.474SS..EExtended strand (participates in β ladder)trans-95.2126.7173.8-64.4-83.6000109.3F39 S162 V163F39-F41 HydrophobicContact CD1-CE2 4.47Å; F39-F41 HydrophobicContact CD1-CZ 4.42Å; F41-S162 WeakPolarHBondContact O-CA 3.42Å; F41-V163 PolarHBondContact O-N 3.01Å
42W28.6Very low33.2Very low87 Ų8786.8 Ų86.833%0.3346%0.461SS..EExtended strand (participates in β ladder)trans-108.5125.9177.7-57.984.2000109.8Y44 S162W42-Y44 HydrophobicContact CB-CE2 3.76Å; W42-S162 WeakPolarHBondContact CZ3-OG 3.42Å
43L37.9Very low33.1Very low41 Ų4185.2 Ų85.222%0.21546%0.46CS..EExtended strand (participates in β ladder)trans-106.7122.7171.2-81.2148.3000108.1F32 E160 V161 V163F32-L43 HydrophobicContact CE1-CD2 4.45Å; L43-E160 CarbonylContact O-C 3.51Å; L43-E160 VanDerWaalsContact O-CA 3.29Å; L43-E160 WeakPolarHBondContact O-CA 3.4Å; L43-V161 HydrophobicContact CB-CB 4.17Å; L43-V161 PolarHBondContact N-O 2.66Å; L43-V161 PolarHBondContact O-N 2.57Å; L43-V163 HydrophobicContact CD1-CG2 4.45Å
44Y36Very low33.6Very low70 Ų7085.1 Ų85.128%0.27545%0.454SS..EExtended strand (participates in β ladder)trans-106.2134.9174.9-61.7-79.4000109.4W42 F158 C159 E160W42-Y44 HydrophobicContact CB-CE2 3.76Å; Y44-F158 AromaticContact CD1-CE1 3.71Å; Y44-F158 HydrophobicContact CD1-CE1 3.71Å; Y44-F158 HydrophobicContact CD1-CE2 4.37Å; Y44-F158 AromaticContact CD1-CZ 3.36Å; Y44-F158 HydrophobicContact CD1-CZ 3.36Å; Y44-F158 HydrophobicContact CE1-CE1 4.28Å; Y44-F158 HydrophobicContact CE1-CZ 4.22Å; Y44-F158 HydrophobicContact CG-CZ 4.03Å; Y44-C159 WeakPolarHBondContact CA-O 3.49Å; Y44-E160 HydrophobicContact CD1-CB 4.33Å; Y44-E160 HydrophobicContact CD1-CG 3.75Å; Y44-E160 HydrophobicContact CE1-CB 4.3Å; Y44-E160 HydrophobicContact CE1-CG 3.72Å
45S43.5Very low34Very low30 Ų3084 Ų8421%0.2145%0.446CS..EExtended strand (participates in β ladder)trans-142.8129.1176.3-64.60000110.3F47 F158 C159S45-F47 WeakPolarHBondContact O-CE2 3.09Å; S45-F158 WeakPolarHBondContact O-CA 3.18Å; S45-C159 PolarHBondContact N-O 3.18Å; S45-C159 PolarHBondContact O-N 2.76Å
46M35.5Very low34.6Very low22 Ų2277.2 Ų77.211%0.10841%0.413CS..EExtended strand (participates in β ladder)trans-107132.7176-170.8175.269.800109.6L107 T156 L157 F158M46-L107 HydrophobicContact CG-CD1 3.86Å; M46-L107 HydrophobicContact SD-CD1 3.36Å; M46-L107 WeakPolarHBondContact SD-CD1 3.35Å; M46-T156 HydrophobicContact CG-CG2 3.62Å; M46-T156 HydrophobicContact SD-CG2 3.88Å; M46-L157 CarbonylContact C-O 3.57Å; M46-L157 WeakPolarHBondContact CA-O 3.11Å; M46-F158 HydrophobicContact CB-CD2 4.24Å
47F44.9Very low35.1Very low2 Ų279.3 Ų79.31%0.00941%0.409CS..EExtended strand (participates in β ladder)trans-124.2130.4-175.1-52-107.3000109.7S45 I49 L58 L69 T156 L157 C159S45-F47 WeakPolarHBondContact O-CE2 3.09Å; F47-I49 HydrophobicContact CB-CG1 4.33Å; F47-L58 HydrophobicContact CD1-CD2 4.06Å; F47-L58 HydrophobicContact CD1-CG 4.44Å; F47-L58 HydrophobicContact CE1-CD1 3.31Å; F47-L58 HydrophobicContact CE1-CD2 3.24Å; F47-L58 HydrophobicContact CE1-CG 3.35Å; F47-L58 HydrophobicContact CZ-CD1 3.23Å; F47-L58 HydrophobicContact CZ-CD2 3.7Å; F47-L58 HydrophobicContact CZ-CG 3.8Å; F47-L69 HydrophobicContact CB-CD2 4.43Å; F47-L69 HydrophobicContact CD1-CB 4.05Å; F47-L69 HydrophobicContact CD1-CD2 3.84Å; F47-L69 HydrophobicContact CD2-CD2 3.86Å; F47-L69 HydrophobicContact CE1-CB 3.41Å; F47-L69 VanDerWaalsContact CE1-CB 3.41Å; F47-L69 HydrophobicContact CE1-CD2 3.88Å; F47-L69 HydrophobicContact CE1-CG 4.28Å; F47-L69 HydrophobicContact CE2-CD2 4.01Å; F47-L69 HydrophobicContact CG-CD2 3.8Å; F47-L69 HydrophobicContact CZ-CB 3.73Å; F47-L69 HydrophobicContact CZ-CD2 4.01Å; F47-L69 HydrophobicContact CZ-CG 4.4Å; F47-T156 CarbonylContact O-C 3.54Å; F47-T156 VanDerWaalsContact O-CA 3.29Å; F47-T156 WeakPolarHBondContact O-CA 3.38Å; F47-L157 HydrophobicContact CB-CB 4.19Å; F47-L157 HydrophobicContact CD2-CB 4.33Å; F47-L157 PolarHBondContact N-O 2.91Å; F47-L157 PolarHBondContact O-N 3.33Å; F47-C159 HydrophobicContact CE2-CB 3.61Å; F47-C159 HydrophobicContact CZ-CB 4.29Å
48L38.2Very low35.6Very low45 Ų4576.1 Ų76.124%0.23639%0.385CS..EExtended strand (participates in β ladder)trans-99.2120.6165.2-73.6165.4000108.1Q26 K154 L155 T156Q26-L48 HydrophobicContact CB-CD1 4.18Å; L48-K154 HydrophobicContact CD2-CB 4.18Å; L48-L155 WeakPolarHBondContact CA-O 3.5Å; L48-T156 HydrophobicContact CD2-CG2 4.22Å; L48-T156 WeakPolarHBondContact CD2-OG1 3.49Å
49I46.3Very low36Very low9 Ų974.6 Ų74.65%0.04637%0.366CS..EExtended strand (participates in β ladder)trans-116.4124.4-178.7-58.6-169.9000109.4F47 L69 V71 L155 L157F47-I49 HydrophobicContact CB-CG1 4.33Å; I49-L69 HydrophobicContact CD1-CD2 4.45Å; I49-V71 HydrophobicContact CD1-CB 3.83Å; I49-V71 HydrophobicContact CD1-CG1 3.93Å; I49-V71 HydrophobicContact CD1-CG2 3.23Å; I49-L155 HydrophobicContact CB-CB 4.32Å; I49-L155 HydrophobicContact CB-CD2 4.32Å; I49-L155 PolarHBondContact N-O 2.76Å; I49-L155 WeakPolarHBondContact O-CB 3.06Å; I49-L155 PolarHBondContact O-N 3.41Å; I49-L157 HydrophobicContact CD1-CD1 3.42Å; I49-L157 VanDerWaalsContact CD1-CD1 3.42Å; I49-L157 HydrophobicContact CD1-CG 4.46Å; I49-L157 HydrophobicContact CG1-CD1 4.33Å
50D39.3Very low36.2Very low109 Ų10967.9 Ų67.958%0.58334%0.344SS*.  trans-91.7128.4165.2-168.6-5.8000107.8G52D50-G52 PolarHBondContact O-N 3.46Å
51L38.8Very low36.7Very low64 Ų6465.7 Ų65.734%0.33534%0.335SS..THydrogen-bonded Turntrans-74.223-162.1-76.1162.2000114.7P73 L143 L155L51-P73 HydrophobicContact CD2-CB 4Å; L51-P73 HydrophobicContact CD2-CG 4.34Å; L51-L143 HydrophobicContact CD1-CD2 4.32Å; L51-L155 HydrophobicContact CD2-CD2 4.49Å
52G35.9Very low37Very low55 Ų5567.8 Ų67.857%0.56734%0.344SS*.THydrogen-bonded Turntrans-98.3-10.9-173.100000117.9D50D50-G52 PolarHBondContact O-N 3.46Å
53N34.3Very low37.5Very low119 Ų11965.9 Ų65.964%0.63634%0.34SS*.  trans-149.2155.3-177.3-86.2-41.8000114.4
54D36.4Very low37.7Very low84 Ų8468.1 Ų68.145%0.44936%0.356SS..SBendtrans-85.7-1.8-165.9-69-34.4000116.7V71D54-V71 CarbonylContact C-O 3.51Å; D54-V71 VanDerWaalsContact O-O 3.07Å
55Y35.3Very low38.2Very low157 Ų15765.4 Ų65.462%0.61635%0.348SS*.  trans-145.5133.7-174.8-57.2-82.5000113.5R70Y55-R70 HydrophobicContact CD1-CG 4Å; Y55-R70 HydrophobicContact CE1-CG 4.04Å
56T36.3Very low38.6Very low20 Ų2067.3 Ų67.312%0.12335%0.352CS..BIsolated β-bridgetrans-124.6127170.8-40.90000109.8T25T25-T56 HydrophobicContact CG2-CG2 4.44Å
57F33.5Very low39.6Very low172 Ų17267.1 Ų67.175%0.75436%0.356SS*.  trans-84.6147.7179.7-65.1-86.6000111.2
58L37.1Very low40.3Very low33 Ų3367.5 Ų67.517%0.17336%0.358CS..  trans-125.7160164.7-68.1162.8000111.6F47 G67 C68 L69F47-L58 HydrophobicContact CD1-CD2 4.06Å; F47-L58 HydrophobicContact CD1-CG 4.44Å; F47-L58 HydrophobicContact CE1-CD1 3.31Å; F47-L58 HydrophobicContact CE1-CD2 3.24Å; F47-L58 HydrophobicContact CE1-CG 3.35Å; F47-L58 HydrophobicContact CZ-CD1 3.23Å; F47-L58 HydrophobicContact CZ-CD2 3.7Å; F47-L58 HydrophobicContact CZ-CG 3.8Å; L58-G67 CarbonylContact C-O 3.52Å; L58-G67 WeakPolarHBondContact CB-O 3.44Å; L58-C68 HydrophobicContact CB-CB 4.2Å; L58-C68 VanDerWaalsContact N-CB 3.29Å; L58-L69 HydrophobicContact CD1-CB 4.42Å
59H34.1Very low41.4Very low85 Ų8565.3 Ų65.339%0.39435%0.347SS..  trans-117.8126156.5-9759.3000108.3K66H59-K66 PolarHBondContact CE1-NZ 2.95Å; H59-K66 WeakPolarHBondContact NE2-CE 2.88Å; H59-K66 PolarHBondContact NE2-NZ 3.33Å
60G32.5Very low42.4Very low27 Ų2766.8 Ų66.828%0.27835%0.352SS..  trans-90.4136.9166.600000110
61N35.4Very low43.7Very low63 Ų6361.7 Ų61.734%0.33733%0.325SS..SBendtrans-102.9132.8173.3-99.2-15.4000110.5R328N61-R328 WeakPolarHBondContact OD1-CD 3.49Å; N61-R328 VanDerWaalsContact OD1-CG 3.27Å; N61-R328 WeakPolarHBondContact OD1-CG 3.23Å
62K38.3Very low45.1Very low129 Ų12959.2 Ų59.256%0.56131%0.312SS*.SBendtrans61.154.7-169.8-82.6-170.7174.7179.30115.4R328K62-R328 VanDerWaalsContact CE-NH1 3.33Å; K62-R328 VanDerWaalsContact CG-CZ 3.46Å
63L39Very low46.5Very low47 Ų4757.1 Ų57.125%0.24629%0.288CS..SBend-144.5152.3117-89142.3000102.7S65 V163L63-S65 PolarHBondContact O-N 3.06Å; L63-V163 HydrophobicContact CD1-CG1 4.45Å; L63-V163 HydrophobicContact CD1-CG2 4.06Å
64T41.5Very low48.2Very low88 Ų8858.6 Ų58.654%0.5429%0.289SS..SBendtrans-56.74.6167.438.20000113.6P94T64-P94 VanDerWaalsContact C-CD 3.43Å; T64-P94 HydrophobicContact CG2-CG 4.11Å; T64-P94 WeakPolarHBondContact O-CD 3.44Å; T64-P94 WeakPolarHBondContact OG1-CD 3.44Å; T64-P94 WeakPolarHBondContact OG1-CG 3.2Å
65S46.7Very low49.7Very low14 Ų1455.2 Ų55.210%0.09827%0.274CS..  trans-92.5121.2174.7-42.70000112.6L63 S92 C93L63-S65 PolarHBondContact O-N 3.06Å; S65-S92 CarbonylContact C-O 3.55Å; S65-S92 VanDerWaalsContact C-O 3.31Å; S65-S92 WeakPolarHBondContact CA-O 3.33Å; S65-C93 PolarHBondContact OG-SG 2.83Å
66K51.8Low51.5Low70 Ų7052.1 Ų52.130%0.30427%0.268SS..EExtended strand (participates in β ladder)trans-93.6116169.1-58.6-177.1-175.4-1730108.6H59 V91 S92H59-K66 PolarHBondContact CE1-NZ 2.95Å; H59-K66 WeakPolarHBondContact NE2-CE 2.88Å; H59-K66 PolarHBondContact NE2-NZ 3.33Å; K66-V91 HydrophobicContact CB-CB 4.3Å; K66-V91 WeakPolarHBondContact O-CA 3.44Å; K66-V91 WeakPolarHBondContact O-CB 3.46Å; K66-V91 PolarHBondContact O-N 3.31Å; K66-S92 PolarHBondContact N-O 2.87Å; K66-S92 PolarHBondContact O-N 3.08Å
67G55.7Low53.6Low18 Ų1854.3 Ų54.319%0.18628%0.279CS..EExtended strand (participates in β ladder)trans-92.2172.2166.400000111.2L58 L89L58-G67 CarbonylContact C-O 3.52Å; L58-G67 WeakPolarHBondContact CB-O 3.44Å; G67-L89 CarbonylContact C-O 3.52Å; G67-L89 VanDerWaalsContact C-O 3.31Å; G67-L89 WeakPolarHBondContact CA-O 3.39Å
68C60.2Low56Low9 Ų953 Ų536%0.06128%0.28CS..EExtended strand (participates in β ladder)trans-151.7158.9163.678.10000111.7L58 L89 V91L58-C68 HydrophobicContact CB-CB 4.2Å; L58-C68 VanDerWaalsContact N-CB 3.29Å; C68-L89 PolarHBondContact N-O 3.15Å; C68-L89 PolarHBondContact O-N 3.32Å; C68-V91 HydrophobicContact CB-CG2 3.77Å; C68-V91 WeakPolarHBondContact SG-CG2 3.19Å
69L60.5Low58.4Low0 Ų057.9 Ų57.90%030%0.301CS..EExtended strand (participates in β ladder)trans-99118.5177.3-173.774.4000108.7F47 I49 L58 V71 Y87 F104 L157F47-L69 HydrophobicContact CB-CD2 4.43Å; F47-L69 HydrophobicContact CD1-CB 4.05Å; F47-L69 HydrophobicContact CD1-CD2 3.84Å; F47-L69 HydrophobicContact CD2-CD2 3.86Å; F47-L69 HydrophobicContact CE1-CB 3.41Å; F47-L69 VanDerWaalsContact CE1-CB 3.41Å; F47-L69 HydrophobicContact CE1-CD2 3.88Å; F47-L69 HydrophobicContact CE1-CG 4.28Å; F47-L69 HydrophobicContact CE2-CD2 4.01Å; F47-L69 HydrophobicContact CG-CD2 3.8Å; F47-L69 HydrophobicContact CZ-CB 3.73Å; F47-L69 HydrophobicContact CZ-CD2 4.01Å; F47-L69 HydrophobicContact CZ-CG 4.4Å; I49-L69 HydrophobicContact CD1-CD2 4.45Å; L58-L69 HydrophobicContact CD1-CB 4.42Å; L69-V71 HydrophobicContact CD2-CG2 3.76Å; L69-V71 HydrophobicContact CG-CG2 3.82Å; L69-Y87 CarbonylContact C-O 3.51Å; L69-Y87 WeakPolarHBondContact CA-O 2.95Å; L69-F104 HydrophobicContact CD1-CD1 3.91Å; L69-F104 HydrophobicContact CD1-CE1 3.2Å; L69-F104 HydrophobicContact CD1-CZ 3.69Å; L69-L157 HydrophobicContact CD2-CB 4.44Å; L69-L157 HydrophobicContact CD2-CD1 3.75Å
70R67.2Low60.8Low40 Ų4053.8 Ų53.815%0.15128%0.283CS..EExtended strand (participates in β ladder)trans-94.2126.1170.3-176.2179.467.9-155-4109.1Y55 Y87 D130Y55-R70 HydrophobicContact CD1-CG 4Å; Y55-R70 HydrophobicContact CE1-CG 4.04Å; R70-Y87 PolarHBondContact N-O 3.4Å; R70-Y87 PolarHBondContact O-N 3.14Å; R70-D130 IonicContact CZ-OD1 2.73Å; R70-D130 IonicContact CZ-OD2 3.77Å; R70-D130 IonicContact NH1-OD2 2.85Å; R70-D130 PolarHBondContact NH1-OD2 3.14Å; R70-D130 IonicContact NH2-OD1 3.81Å; R70-D130 PolarHBondContact NH2-OD1 3.45Å; R70-D130 IonicContact NH2-OD2 3.94Å; R70-D130 PolarHBondContact NH2-OD2 3.34Å
71V66.6Low63.2Low2 Ų258 Ų581%0.01229%0.293CS..EExtended strand (participates in β ladder)trans-122.8125.5-178.8178.60000108I49 D54 L69 P73 L84 S85 L86 L157I49-V71 HydrophobicContact CD1-CB 3.83Å; I49-V71 HydrophobicContact CD1-CG1 3.93Å; I49-V71 HydrophobicContact CD1-CG2 3.23Å; D54-V71 CarbonylContact C-O 3.51Å; D54-V71 VanDerWaalsContact O-O 3.07Å; L69-V71 HydrophobicContact CD2-CG2 3.76Å; L69-V71 HydrophobicContact CG-CG2 3.82Å; V71-P73 WeakPolarHBondContact O-CD 3.3Å; V71-L84 HydrophobicContact CG1-CD1 3.57Å; V71-L84 HydrophobicContact CG1-CG 4.36Å; V71-S85 WeakPolarHBondContact CA-O 3.27Å; V71-L86 HydrophobicContact CB-CD2 3.94Å; V71-L86 HydrophobicContact CG1-CD2 3.71Å; V71-L86 HydrophobicContact CG2-CD2 3.36Å; V71-L157 HydrophobicContact CG2-CD1 4Å
72N69.5Low65.6Low12 Ų1258.8 Ų58.86%0.06430%0.298CS..EExtended strand (participates in β ladder)trans-111.498.8175.4-55.5-45.9000108.4K74 G75 S85N72-K74 PolarHBondContact O-N 3.38Å; N72-G75 WeakPolarHBondContact CB-O 3.41Å; N72-G75 PolarHBondContact O-N 3.24Å; N72-S85 PolarHBondContact N-O 3.01Å; N72-S85 PolarHBondContact O-N 2.99Å
73P64.3Low67.8Low11 Ų1155.6 Ų55.67%0.07128%0.283CS..THydrogen-bonded Turntrans-58.3-27-176.5-28.137000114.9L51 V71 L84 R139L51-P73 HydrophobicContact CD2-CB 4Å; L51-P73 HydrophobicContact CD2-CG 4.34Å; V71-P73 WeakPolarHBondContact O-CD 3.3Å; P73-L84 HydrophobicContact CB-CD1 4.5Å; P73-R139 VanDerWaalsContact O-CD 3.24Å; P73-R139 WeakPolarHBondContact O-CD 3.22Å; P73-R139 PolarHBondContact O-NE 3.19Å
74K71.3Confident69.8Low149 Ų14953.4 Ų53.465%0.64827%0.271SS*.THydrogen-bonded Turntrans-115.828.5-176-52.2-172.3179.8171.40112.7N72 K81N72-K74 PolarHBondContact O-N 3.38Å; K74-K81 WeakPolarHBondContact O-CA 3.43Å
75G67.2Low71.6Confident14 Ų1449.2 Ų49.214%0.14425%0.245CC..  trans75.9173.4-175.100000113.1N72 S80 Y83 S85N72-G75 WeakPolarHBondContact CB-O 3.41Å; N72-G75 PolarHBondContact O-N 3.24Å; G75-S80 WeakPolarHBondContact CA-O 3.48Å; G75-Y83 WeakPolarHBondContact CA-O 3.3Å; G75-Y83 PolarHBondContact N-O 2.63Å; G75-S85 WeakPolarHBondContact CA-OG 3.14Å
76L72.4Confident73.2Confident92 Ų9248.6 Ų48.648%0.48224%0.241SC..SBendtrans-92.4-25.9176.6-174.467.4000112.3S80 S85 Y87L76-S80 PolarHBondContact N-OG 2.84Å; L76-S85 PolarHBondContact N-OG 3.38Å; L76-Y87 HydrophobicContact CD2-CE2 4.48Å
77D80.3Confident74.4Confident66 Ų6646.3 Ų46.335%0.35323%0.23SC..SBendtrans-157.6179-175.359.217000111.3E79 S80 K81 K134D77-E79 PolarHBondContact O-N 3.25Å; D77-E79 VanDerWaalsContact O-N 3.13Å; D77-E79 PolarHBondContact OD1-N 3.34Å; D77-S80 PolarHBondContact N-OG 3.08Å; D77-S80 VanDerWaalsContact N-OG 3.1Å; D77-S80 CarbonylContact O-C 3.41Å; D77-S80 PolarHBondContact O-N 2.78Å; D77-S80 PolarHBondContact O-OG 3.29Å; D77-S80 PolarHBondContact OD1-N 3.2Å; D77-S80 PolarHBondContact OD1-OG 3.42Å; D77-K81 PolarHBondContact O-N 2.74Å; D77-K134 VanDerWaalsContact CG-NZ 3.27Å; D77-K134 WeakPolarHBondContact OD1-CE 3.05Å; D77-K134 IonicContact OD1-NZ 2.71Å; D77-K134 PolarHBondContact OD1-NZ 3.17Å; D77-K134 VanDerWaalsContact OD1-NZ 3.15Å; D77-K134 WeakPolarHBondContact OD2-CE 3.31Å; D77-K134 IonicContact OD2-NZ 2.77Å; D77-K134 PolarHBondContact OD2-NZ 3.46Å
78D84.4Confident75.3Confident144 Ų14446.2 Ų46.277%0.7723%0.225SC*.THydrogen-bonded Turntrans-57.7-30.5-176.3-69.1-28.9000113.9S80 K81D78-S80 VanDerWaalsContact C-N 3.27Å; D78-S80 PolarHBondContact O-N 3.29Å; D78-K81 WeakPolarHBondContact O-CD 3.47Å; D78-K81 WeakPolarHBondContact O-CG 3.25Å
79E88Confident75.8Confident135 Ų13547.4 Ų47.463%0.63123%0.231SC*.THydrogen-bonded Turntrans-73.8-20.7178-63.3-176.5166.800113.3D77 K134 K135D77-E79 PolarHBondContact O-N 3.25Å; D77-E79 VanDerWaalsContact O-N 3.13Å; D77-E79 PolarHBondContact OD1-N 3.34Å; E79-K134 IonicContact OE2-NZ 3.39Å; E79-K134 PolarHBondContact OE2-NZ 2.63Å; E79-K135 WeakPolarHBondContact O-CE 3.41Å; E79-K135 PolarHBondContact O-NZ 2.98Å
80S84.9Confident76Confident0 Ų048.1 Ų48.10%024%0.235CC..THydrogen-bonded Turntrans-114.65.1-175.954.40000113.7G75 L76 D77 D78 D82 Y83G75-S80 WeakPolarHBondContact CA-O 3.48Å; L76-S80 PolarHBondContact N-OG 2.84Å; D77-S80 PolarHBondContact N-OG 3.08Å; D77-S80 VanDerWaalsContact N-OG 3.1Å; D77-S80 CarbonylContact O-C 3.41Å; D77-S80 PolarHBondContact O-N 2.78Å; D77-S80 PolarHBondContact O-OG 3.29Å; D77-S80 PolarHBondContact OD1-N 3.2Å; D77-S80 PolarHBondContact OD1-OG 3.42Å; D78-S80 VanDerWaalsContact C-N 3.27Å; D78-S80 PolarHBondContact O-N 3.29Å; S80-D82 PolarHBondContact O-N 3.45Å; S80-Y83 WeakPolarHBondContact O-CA 3.38Å; S80-Y83 WeakPolarHBondContact O-CB 3.49Å; S80-Y83 PolarHBondContact O-N 2.67Å
81K81.4Confident75.5Confident114 Ų11448.9 Ų48.950%0.49624%0.244SC..THydrogen-bonded Turntrans-51.7-31.8-177.570.2-176.8-176.7177.10115.6K74 D77 D78 Y83 R139K74-K81 WeakPolarHBondContact O-CA 3.43Å; D77-K81 PolarHBondContact O-N 2.74Å; D78-K81 WeakPolarHBondContact O-CD 3.47Å; D78-K81 WeakPolarHBondContact O-CG 3.25Å; K81-Y83 VanDerWaalsContact C-N 3.3Å; K81-R139 WeakPolarHBondContact O-CD 3.37Å; K81-R139 PolarHBondContact O-NH1 2.98Å
82D87.3Confident75Confident81 Ų8150.8 Ų50.843%0.43326%0.257SS..THydrogen-bonded Turntrans-90.67-179.1-54.7-43.2000112.7S80 R138 R139S80-D82 PolarHBondContact O-N 3.45Å; D82-R138 WeakPolarHBondContact O-CA 3.33Å; D82-R139 WeakPolarHBondContact O-CG 3.46Å; D82-R139 PolarHBondContact O-N 3Å
83Y84.8Confident74.3Confident62 Ų6250.9 Ų50.924%0.24326%0.259CS..EExtended strand (participates in β ladder)trans-124.7151.4-177.8-67.1-101.5000111.6G75 S80 K81 K135 I137 R138G75-Y83 WeakPolarHBondContact CA-O 3.3Å; G75-Y83 PolarHBondContact N-O 2.63Å; S80-Y83 WeakPolarHBondContact O-CA 3.38Å; S80-Y83 WeakPolarHBondContact O-CB 3.49Å; S80-Y83 PolarHBondContact O-N 2.67Å; K81-Y83 VanDerWaalsContact C-N 3.3Å; Y83-K135 HydrophobicContact CD1-CB 3.63Å; Y83-K135 HydrophobicContact CD1-CG 4.08Å; Y83-K135 HydrophobicContact CD2-CB 4.45Å; Y83-K135 HydrophobicContact CD2-CD 4.13Å; Y83-K135 HydrophobicContact CD2-CG 3.98Å; Y83-K135 HydrophobicContact CE1-CB 3.92Å; Y83-K135 HydrophobicContact CE1-CD 4.36Å; Y83-K135 HydrophobicContact CE1-CG 4.35Å; Y83-K135 HydrophobicContact CE2-CD 3.95Å; Y83-K135 HydrophobicContact CE2-CG 4.28Å; Y83-K135 HydrophobicContact CG-CB 3.92Å; Y83-K135 HydrophobicContact CG-CD 4.45Å; Y83-K135 HydrophobicContact CG-CG 3.89Å; Y83-I137 CarbonylContact C-O 3.48Å; Y83-I137 VanDerWaalsContact CA-O 3.24Å; Y83-I137 WeakPolarHBondContact CA-O 3.38Å; Y83-R138 HydrophobicContact CD1-CB 4.48Å; Y83-R138 HydrophobicContact CD1-CG 3.8Å; Y83-R138 HydrophobicContact CE1-CB 4.36Å; Y83-R138 HydrophobicContact CE1-CG 3.26Å; Y83-R138 HydrophobicContact CE2-CG 4.21Å; Y83-R138 HydrophobicContact CG-CG 4.47Å; Y83-R138 VanDerWaalsContact CZ-CG 3.49Å
84L79.4Confident73.7Confident1 Ų154.6 Ų54.61%0.00528%0.283CS..EExtended strand (participates in β ladder)trans-77.2131.1158.7-175.268.1000108.1V71 P73 L86 F136 I137 L142 L155V71-L84 HydrophobicContact CG1-CD1 3.57Å; V71-L84 HydrophobicContact CG1-CG 4.36Å; P73-L84 HydrophobicContact CB-CD1 4.5Å; L84-L86 HydrophobicContact CD2-CD2 4.25Å; L84-L86 HydrophobicContact CG-CD2 4.28Å; L84-F136 HydrophobicContact CD2-CD1 4.26Å; L84-F136 VanDerWaalsContact O-CB 3.27Å; L84-F136 WeakPolarHBondContact O-CB 3.43Å; L84-F136 PolarHBondContact O-N 3.01Å; L84-I137 HydrophobicContact CB-CG2 3.76Å; L84-I137 HydrophobicContact CD2-CG2 3.96Å; L84-I137 HydrophobicContact CG-CG2 4.49Å; L84-I137 PolarHBondContact N-O 3.42Å; L84-I137 PolarHBondContact O-N 3.27Å; L84-L142 HydrophobicContact CD2-CD2 4.07Å; L84-L155 HydrophobicContact CD2-CD2 3.8Å
85S80.3Confident72.9Confident0 Ų052.4 Ų52.40%027%0.273CS..EExtended strand (participates in β ladder)trans-107.4138.4171.1-430000110.9V71 N72 G75 L76 F133 K134V71-S85 WeakPolarHBondContact CA-O 3.27Å; N72-S85 PolarHBondContact N-O 3.01Å; N72-S85 PolarHBondContact O-N 2.99Å; G75-S85 WeakPolarHBondContact CA-OG 3.14Å; L76-S85 PolarHBondContact N-OG 3.38Å; S85-F133 WeakPolarHBondContact CA-O 3.49Å; S85-K134 WeakPolarHBondContact CB-O 3.35Å; S85-K134 PolarHBondContact OG-O 3.23Å
86L80.5Confident72.9Confident0 Ų057 Ų570%030%0.303CS..EExtended strand (participates in β ladder)trans-127.3133.3-179.1-64.4-177.1000111.2V71 L84 F104 G132 F133 F136 L157V71-L86 HydrophobicContact CB-CD2 3.94Å; V71-L86 HydrophobicContact CG1-CD2 3.71Å; V71-L86 HydrophobicContact CG2-CD2 3.36Å; L84-L86 HydrophobicContact CD2-CD2 4.25Å; L84-L86 HydrophobicContact CG-CD2 4.28Å; L86-F104 HydrophobicContact CB-CD2 3.94Å; L86-F104 HydrophobicContact CB-CE2 4.04Å; L86-F104 HydrophobicContact CB-CG 4.38Å; L86-F104 HydrophobicContact CD1-CB 4Å; L86-F104 HydrophobicContact CD1-CD2 4.4Å; L86-F104 HydrophobicContact CD1-CG 4.15Å; L86-G132 CarbonylContact O-C 3.48Å; L86-G132 WeakPolarHBondContact O-CA 3.48Å; L86-F133 PolarHBondContact N-O 3.11Å; L86-F133 VanDerWaalsContact N-O 3.08Å; L86-F133 PolarHBondContact O-N 3.42Å; L86-F136 HydrophobicContact CB-CB 4.39Å; L86-F136 HydrophobicContact CB-CG 4.43Å; L86-F136 HydrophobicContact CD1-CB 4.25Å; L86-F136 HydrophobicContact CD1-CD1 3.27Å; L86-F136 HydrophobicContact CD1-CD2 3.89Å; L86-F136 HydrophobicContact CD1-CE1 3.43Å; L86-F136 VanDerWaalsContact CD1-CE1 3.43Å; L86-F136 HydrophobicContact CD1-CE2 4.04Å; L86-F136 HydrophobicContact CD1-CG 3.52Å; L86-F136 HydrophobicContact CD1-CZ 3.83Å; L86-F136 HydrophobicContact CG-CB 4.07Å; L86-F136 HydrophobicContact CG-CD1 3.84Å; L86-F136 HydrophobicContact CG-CE1 4.45Å; L86-F136 HydrophobicContact CG-CG 3.9Å; L86-L157 HydrophobicContact CD1-CD1 4.02Å; L86-L157 HydrophobicContact CD1-CD2 3.54Å; L86-L157 HydrophobicContact CD1-CG 4.45Å; L86-L157 HydrophobicContact CD2-CD1 3.54Å; L86-L157 HydrophobicContact CD2-CD2 4.45Å; L86-L157 HydrophobicContact CG-CD1 4.46Å
87Y76.7Confident73Confident23 Ų2355.7 Ų55.79%0.0929%0.294CS..EExtended strand (participates in β ladder)trans-138.1139.2178.9-63.3-98.8000111.5L69 R70 L76 D130 W131 K134L69-Y87 CarbonylContact C-O 3.51Å; L69-Y87 WeakPolarHBondContact CA-O 2.95Å; R70-Y87 PolarHBondContact N-O 3.4Å; R70-Y87 PolarHBondContact O-N 3.14Å; L76-Y87 HydrophobicContact CD2-CE2 4.48Å; Y87-D130 WeakPolarHBondContact CD1-OD1 3.4Å; Y87-W131 CarbonylContact C-O 3.28Å; Y87-W131 WeakPolarHBondContact CA-O 3.23Å; Y87-K134 WeakPolarHBondContact OH-CA 3.4Å
88L75.2Confident72.6Confident15 Ų1553.3 Ų53.38%0.07928%0.283CS..EExtended strand (participates in β ladder)trans-89.7119.9166.9-17765.6000107.7F102 F104 F125 D130 W131 V161L88-F102 HydrophobicContact CD2-CB 3.95Å; L88-F102 HydrophobicContact CD2-CG 4.39Å; L88-F104 HydrophobicContact CB-CZ 3.94Å; L88-F125 HydrophobicContact CB-CE1 4.2Å; L88-F125 HydrophobicContact CB-CZ 4.45Å; L88-F125 HydrophobicContact CD2-CE1 4.05Å; L88-F125 HydrophobicContact CD2-CZ 3.85Å; L88-F125 HydrophobicContact CG-CE1 4.08Å; L88-F125 HydrophobicContact CG-CZ 4.35Å; L88-F125 WeakPolarHBondContact O-CE1 3.41Å; L88-D130 CarbonylContact O-C 3.56Å; L88-D130 WeakPolarHBondContact O-CA 3.46Å; L88-D130 VanDerWaalsContact O-CB 3.3Å; L88-D130 WeakPolarHBondContact O-CB 3.29Å; L88-W131 PolarHBondContact N-O 2.94Å; L88-W131 PolarHBondContact O-N 3.24Å; L88-V161 HydrophobicContact CD1-CG2 4.27Å; L88-V161 HydrophobicContact CD2-CB 4.49Å; L88-V161 HydrophobicContact CD2-CG1 4.03Å; L88-V161 HydrophobicContact CD2-CG2 3.59Å
89L68.9Low72.3Confident35 Ų3550.3 Ų50.318%0.18326%0.26CS..EExtended strand (participates in β ladder)trans-105.9136.3177.3170.560.9000109.8G67 C68 V91 D130G67-L89 CarbonylContact C-O 3.52Å; G67-L89 VanDerWaalsContact C-O 3.31Å; G67-L89 WeakPolarHBondContact CA-O 3.39Å; C68-L89 PolarHBondContact N-O 3.15Å; C68-L89 PolarHBondContact O-N 3.32Å; L89-V91 HydrophobicContact CD2-CG2 4.47Å; L89-V91 HydrophobicContact CG-CG2 4.32Å; L89-D130 HydrophobicContact CB-CB 3.94Å; L89-D130 HydrophobicContact CD1-CB 4.01Å
90L65.5Low71.7Confident14 Ų1444 Ų447%0.07323%0.232CC..EExtended strand (participates in β ladder)trans-92.5107.8169.7-17565.2000110S92 C93 V98 F125 G128 K129L90-S92 WeakPolarHBondContact CD1-O 3.21Å; L90-C93 HydrophobicContact CD1-CB 4.29Å; L90-C93 HydrophobicContact CD2-CB 3.9Å; L90-C93 HydrophobicContact CG-CB 4.31Å; L90-V98 HydrophobicContact CD2-CG2 4.47Å; L90-F125 HydrophobicContact CB-CB 4.02Å; L90-F125 HydrophobicContact CB-CD1 4.16Å; L90-F125 HydrophobicContact CD2-CB 3.61Å; L90-F125 HydrophobicContact CG-CB 4.39Å; L90-G128 PolarHBondContact O-N 3.44Å; L90-K129 PolarHBondContact N-O 2.99Å
91V56.6Low71.6Confident57 Ų5748.2 Ų48.235%0.34525%0.25SC..EExtended strand (participates in β ladder)trans-82.2-41.3-175.8-179.90000112.3K66 C68 L89 Q127K66-V91 HydrophobicContact CB-CB 4.3Å; K66-V91 WeakPolarHBondContact O-CA 3.44Å; K66-V91 WeakPolarHBondContact O-CB 3.46Å; K66-V91 PolarHBondContact O-N 3.31Å; C68-V91 HydrophobicContact CB-CG2 3.77Å; C68-V91 WeakPolarHBondContact SG-CG2 3.19Å; L89-V91 HydrophobicContact CD2-CG2 4.47Å; L89-V91 HydrophobicContact CG-CG2 4.32Å; V91-Q127 WeakPolarHBondContact O-CG 3.48Å; V91-Q127 PolarHBondContact O-NE2 2.77Å; V91-Q127 VanDerWaalsContact O-NE2 3.16Å
92S55.3Low71.6Confident41 Ų4143 Ų4329%0.28723%0.227SC..EExtended strand (participates in β ladder)trans-147148.6177.7-178.20000109.7S65 K66 L90S65-S92 CarbonylContact C-O 3.55Å; S65-S92 VanDerWaalsContact C-O 3.31Å; S65-S92 WeakPolarHBondContact CA-O 3.33Å; K66-S92 PolarHBondContact N-O 2.87Å; K66-S92 PolarHBondContact O-N 3.08Å; L90-S92 WeakPolarHBondContact CD1-O 3.21Å
93C56.2Low71.6Confident15 Ų1541 Ų4110%0.10122%0.215CC..  trans-161.6132.6171.3-174.80000108.5S65 L90 K95 V98S65-C93 PolarHBondContact OG-SG 2.83Å; L90-C93 HydrophobicContact CD1-CB 4.29Å; L90-C93 HydrophobicContact CD2-CB 3.9Å; L90-C93 HydrophobicContact CG-CB 4.31Å; C93-K95 VanDerWaalsContact C-N 3.31Å; C93-K95 PolarHBondContact SG-N 3.48Å; C93-K95 PolarHBondContact SG-O 2.98Å; C93-K95 VanDerWaalsContact SG-O 3.34Å; C93-V98 WeakPolarHBondContact SG-CG2 3.22Å
94P50.7Low71.6Confident89 Ų8938.1 Ų38.158%0.57820%0.203SC*.SBendtrans-82.3-14173.435.7-40.3000112.5T64T64-P94 VanDerWaalsContact C-CD 3.43Å; T64-P94 HydrophobicContact CG2-CG 4.11Å; T64-P94 WeakPolarHBondContact O-CD 3.44Å; T64-P94 WeakPolarHBondContact OG1-CD 3.44Å; T64-P94 WeakPolarHBondContact OG1-CG 3.2Å
95K55.7Low71.9Confident102 Ų10238.1 Ų38.144%0.44320%0.203SC..SBendtrans-77.2145166.8-60.3-172.9177.3-174.10107.9C93 E97C93-K95 VanDerWaalsContact C-N 3.31Å; C93-K95 PolarHBondContact SG-N 3.48Å; C93-K95 PolarHBondContact SG-O 2.98Å; C93-K95 VanDerWaalsContact SG-O 3.34Å; K95-E97 PolarHBondContact O-N 3.29Å
96S66.1Low72Confident110 Ų11038.1 Ų38.177%0.76920%0.203SC*.SBendtrans-58.9-30.3175.951.20000112.3
97E74.5Confident71.7Confident65 Ų6538.7 Ų38.730%0.30421%0.206SC..  trans-154.5158175.861.4-178.4-128.700112.9K95 R124 F125 V126K95-E97 PolarHBondContact O-N 3.29Å; E97-R124 HydrophobicContact CB-CG 4.13Å; E97-R124 VanDerWaalsContact CD-CZ 3.5Å; E97-R124 IonicContact OE1-CZ 2.77Å; E97-R124 IonicContact OE1-NE 3.21Å; E97-R124 PolarHBondContact OE1-NE 2.8Å; E97-R124 IonicContact OE1-NH2 2.78Å; E97-R124 PolarHBondContact OE1-NH2 3.43Å; E97-R124 VanDerWaalsContact OE2-CD 3.23Å; E97-R124 WeakPolarHBondContact OE2-CD 3.41Å; E97-R124 IonicContact OE2-CZ 3.75Å; E97-R124 IonicContact OE2-NE 2.96Å; E97-R124 PolarHBondContact OE2-NE 3.35Å; E97-R124 IonicContact OE2-NH1 3.43Å; E97-R124 IonicContact OE2-NH2 2.75Å; E97-R124 PolarHBondContact OE2-NH2 3.1Å; E97-F125 WeakPolarHBondContact CA-O 3.37Å; E97-V126 HydrophobicContact CB-CG1 4.17Å
98V72Confident71.8Confident17 Ų1739.5 Ų39.510%0.10321%0.212CC..EExtended strand (participates in β ladder)trans-129.1134.7171.7-179.70000108.5L90 C93 F125 V163L90-V98 HydrophobicContact CD2-CG2 4.47Å; C93-V98 WeakPolarHBondContact SG-CG2 3.22Å; V98-F125 PolarHBondContact N-O 2.79Å; V98-F125 PolarHBondContact O-N 3.01Å; V98-V163 HydrophobicContact CG1-CG1 3.79Å; V98-V163 HydrophobicContact CG1-CG2 4.38Å
99R77.7Confident71.8Confident81 Ų8142.5 Ų42.531%0.30624%0.239SC..EExtended strand (participates in β ladder)trans-100.7125.9169-63.8-172-51.1176.610.7109.4A122 Y123 V164 D166R99-A122 HydrophobicContact CB-CB 4.41Å; R99-Y123 VanDerWaalsContact CA-O 3.31Å; R99-Y123 WeakPolarHBondContact CA-O 3.34Å; R99-V164 HydrophobicContact CB-CB 4.49Å; R99-V164 PolarHBondContact O-N 3.49Å; R99-D166 IonicContact CZ-OD1 3.19Å; R99-D166 IonicContact CZ-OD2 2.78Å; R99-D166 IonicContact NE-OD2 2.99Å; R99-D166 IonicContact NH1-OD1 3.61Å; R99-D166 IonicContact NH1-OD2 2.84Å; R99-D166 IonicContact NH2-OD1 3.38Å; R99-D166 PolarHBondContact NH2-OD1 2.87Å; R99-D166 IonicContact NH2-OD2 2.82Å; R99-D166 PolarHBondContact NH2-OD2 3.41Å
100A76.2Confident72.2Confident3 Ų348.5 Ų48.53%0.02526%0.264CS..EExtended strand (participates in β ladder)trans-144.8145.1-179.800000112.3A122 Y123 F125 V161 S162 V163A100-A122 CarbonylContact O-C 3.37Å; A100-A122 WeakPolarHBondContact O-CA 3.44Å; A100-Y123 PolarHBondContact N-O 3.47Å; A100-Y123 PolarHBondContact O-N 2.81Å; A100-F125 HydrophobicContact CB-CD2 4.12Å; A100-F125 HydrophobicContact CB-CE2 3.92Å; A100-V161 HydrophobicContact CB-CG1 3.85Å; A100-S162 CarbonylContact C-O 3.54Å; A100-S162 VanDerWaalsContact CA-O 3.22Å; A100-S162 WeakPolarHBondContact CA-O 3.42Å; A100-V163 HydrophobicContact CB-CG2 4.34Å
101K83.4Confident72.4Confident87 Ų8756.5 Ų56.538%0.37829%0.293SS..EExtended strand (participates in β ladder)trans-88.3154.5159.6-67-172.7178.4-1710108.8S119 A122 V161 S162K101-S119 VanDerWaalsContact CA-OG 3.26Å; K101-S119 WeakPolarHBondContact CA-OG 3.26Å; K101-S119 WeakPolarHBondContact CB-OG 3.42Å; K101-A122 HydrophobicContact CG-CB 4.06Å; K101-V161 CarbonylContact O-C 3.51Å; K101-V161 WeakPolarHBondContact O-CA 3.47Å; K101-S162 PolarHBondContact N-O 3.22Å; K101-S162 PolarHBondContact O-N 3.24Å
102F81.4Confident73.4Confident6 Ų658.8 Ų58.83%0.02630%0.3CS..EExtended strand (participates in β ladder)trans-142.515017559.3-89.4000110.9L88 F104 E118 S119 Y123 F125 W131 F133 E160 V161L88-F102 HydrophobicContact CD2-CB 3.95Å; L88-F102 HydrophobicContact CD2-CG 4.39Å; F102-F104 HydrophobicContact CD2-CD2 4.14Å; F102-F104 AromaticContact CD2-CE2 3.6Å; F102-F104 HydrophobicContact CD2-CE2 3.6Å; F102-F104 AromaticContact CD2-CZ 3.88Å; F102-F104 HydrophobicContact CD2-CZ 3.88Å; F102-F104 HydrophobicContact CE2-CD2 4.34Å; F102-F104 AromaticContact CE2-CE2 3.72Å; F102-F104 HydrophobicContact CE2-CE2 3.72Å; F102-F104 HydrophobicContact CE2-CZ 4.32Å; F102-E118 CarbonylContact O-C 3.31Å; F102-E118 WeakPolarHBondContact O-CA 3.44Å; F102-S119 PolarHBondContact N-OG 3.06Å; F102-S119 WeakPolarHBondContact O-CB 3.33Å; F102-S119 PolarHBondContact O-N 3.13Å; F102-S119 PolarHBondContact O-OG 3.44Å; F102-Y123 AromaticContact CE1-CD2 3.79Å; F102-Y123 HydrophobicContact CE1-CD2 3.79Å; F102-Y123 HydrophobicContact CE1-CE2 4.35Å; F102-Y123 HydrophobicContact CE1-CG 4.46Å; F102-Y123 HydrophobicContact CZ-CD2 4.47Å; F102-F125 HydrophobicContact CD1-CE2 4.42Å; F102-F125 AromaticContact CD1-CZ 3.9Å; F102-F125 HydrophobicContact CD1-CZ 3.9Å; F102-F125 HydrophobicContact CE1-CZ 4.12Å; F102-W131 HydrophobicContact CE1-CB 3.6Å; F102-W131 HydrophobicContact CZ-CB 3.88Å; F102-F133 HydrophobicContact CD2-CE2 4.27Å; F102-F133 HydrophobicContact CE2-CD2 4.45Å; F102-F133 AromaticContact CE2-CE2 3.72Å; F102-F133 HydrophobicContact CE2-CE2 3.72Å; F102-F133 AromaticContact CE2-CZ 3.84Å; F102-F133 HydrophobicContact CE2-CZ 3.84Å; F102-E160 CarbonylContact C-O 3.51Å; F102-E160 WeakPolarHBondContact CA-O 3.44Å; F102-V161 HydrophobicContact CB-CG2 4.44Å
103K86.1Confident74.7Confident39 Ų3960.9 Ų60.917%0.1731%0.305CS..EExtended strand (participates in β ladder)trans-130.7137.2172.9173.3-176.5157.9-1440108.4E113 M117 E118 C159 E160K103-E113 VanDerWaalsContact CE-OE2 3.31Å; K103-E113 WeakPolarHBondContact CE-OE2 3.46Å; K103-E113 IonicContact NZ-OE1 3.7Å; K103-E113 IonicContact NZ-OE2 3.09Å; K103-E113 PolarHBondContact NZ-OE2 2.78Å; K103-M117 CarbonylContact C-O 3.58Å; K103-M117 VanDerWaalsContact CA-O 3.32Å; K103-M117 WeakPolarHBondContact CA-O 3.37Å; K103-E118 HydrophobicContact CB-CB 3.96Å; K103-E118 HydrophobicContact CG-CB 4.14Å; K103-C159 CarbonylContact O-C 3.31Å; K103-C159 VanDerWaalsContact O-CA 3.28Å; K103-C159 WeakPolarHBondContact O-CA 3.39Å; K103-E160 HydrophobicContact CB-CB 4.17Å; K103-E160 HydrophobicContact CB-CG 4.44Å; K103-E160 HydrophobicContact CD-CG 4.45Å; K103-E160 PolarHBondContact N-O 3Å; K103-E160 IonicContact NZ-OE1 3.79Å; K103-E160 PolarHBondContact NZ-OE1 2.8Å; K103-E160 IonicContact NZ-OE2 3.85Å; K103-E160 PolarHBondContact O-N 3.48Å
104F85.6Confident76Confident1 Ų162.3 Ų62.30%0.00431%0.314CS..EExtended strand (participates in β ladder)trans-115.2135.9170.1-59.4-56.3000109.1L69 L86 L88 F102 A116 M117 F133 F136 F158 C159L69-F104 HydrophobicContact CD1-CD1 3.91Å; L69-F104 HydrophobicContact CD1-CE1 3.2Å; L69-F104 HydrophobicContact CD1-CZ 3.69Å; L86-F104 HydrophobicContact CB-CD2 3.94Å; L86-F104 HydrophobicContact CB-CE2 4.04Å; L86-F104 HydrophobicContact CB-CG 4.38Å; L86-F104 HydrophobicContact CD1-CB 4Å; L86-F104 HydrophobicContact CD1-CD2 4.4Å; L86-F104 HydrophobicContact CD1-CG 4.15Å; L88-F104 HydrophobicContact CB-CZ 3.94Å; F102-F104 HydrophobicContact CD2-CD2 4.14Å; F102-F104 AromaticContact CD2-CE2 3.6Å; F102-F104 HydrophobicContact CD2-CE2 3.6Å; F102-F104 AromaticContact CD2-CZ 3.88Å; F102-F104 HydrophobicContact CD2-CZ 3.88Å; F102-F104 HydrophobicContact CE2-CD2 4.34Å; F102-F104 AromaticContact CE2-CE2 3.72Å; F102-F104 HydrophobicContact CE2-CE2 3.72Å; F102-F104 HydrophobicContact CE2-CZ 4.32Å; F104-A116 CarbonylContact O-C 3.45Å; F104-A116 VanDerWaalsContact O-CA 3.23Å; F104-A116 WeakPolarHBondContact O-CA 3.49Å; F104-M117 PolarHBondContact N-O 3.47Å; F104-M117 PolarHBondContact O-N 3.14Å; F104-F133 AromaticContact CD2-CD2 3.66Å; F104-F133 HydrophobicContact CD2-CD2 3.66Å; F104-F133 AromaticContact CD2-CE2 3.68Å; F104-F133 HydrophobicContact CD2-CE2 3.68Å; F104-F133 HydrophobicContact CE2-CD2 4.16Å; F104-F133 HydrophobicContact CE2-CE2 4.2Å; F104-F136 HydrophobicContact CB-CD2 4.31Å; F104-F136 HydrophobicContact CB-CE2 3.69Å; F104-F136 HydrophobicContact CB-CZ 4.13Å; F104-F158 CarbonylContact C-O 3.59Å; F104-F158 VanDerWaalsContact CA-O 3.31Å; F104-F158 WeakPolarHBondContact CA-O 3.34Å; F104-C159 HydrophobicContact CD1-CB 3.87Å; F104-C159 HydrophobicContact CE1-CB 4.01Å; F104-C159 WeakPolarHBondContact CE1-SG 3.41Å
105S85.5Confident77.8Confident0 Ų062.9 Ų62.90%031%0.307CS..EExtended strand (participates in β ladder)trans-138.7164.5172.746.50000110.3E113 L157 F158S105-E113 PolarHBondContact OG-OE2 2.81Å; S105-L157 CarbonylContact O-C 3.49Å; S105-L157 WeakPolarHBondContact O-CA 3.18Å; S105-F158 PolarHBondContact N-O 3.45Å; S105-F158 PolarHBondContact O-N 3.15Å
106L81.5Confident79.4Confident0 Ų060.7 Ų60.70%031%0.308CS..EExtended strand (participates in β ladder)trans-101.4146.8171.3-68.7170.3000109.1E113 T114 K115 F136 I137 L142 L149 L155 T156 L157L106-E113 CarbonylContact O-C 3.57Å; L106-E113 WeakPolarHBondContact O-CA 3.44Å; L106-T114 HydrophobicContact CB-CG2 4.02Å; L106-T114 PolarHBondContact N-O 2.9Å; L106-T114 PolarHBondContact O-N 2.87Å; L106-K115 HydrophobicContact CD1-CB 4.11Å; L106-K115 HydrophobicContact CD1-CG 4.36Å; L106-F136 HydrophobicContact CD1-CE1 4.34Å; L106-F136 HydrophobicContact CD2-CE1 4.39Å; L106-F136 HydrophobicContact CG-CE1 4.08Å; L106-F136 HydrophobicContact CG-CZ 4.39Å; L106-I137 HydrophobicContact CD1-CD1 3.5Å; L106-I137 VanDerWaalsContact CD1-CD1 3.5Å; L106-L142 HydrophobicContact CD1-CD1 4.04Å; L106-L149 HydrophobicContact CB-CD2 4.39Å; L106-L149 HydrophobicContact CD1-CD1 3.94Å; L106-L149 HydrophobicContact CD1-CD2 4.27Å; L106-L155 HydrophobicContact CD2-CD1 3.36Å; L106-L155 HydrophobicContact CD2-CG 4.24Å; L106-T156 WeakPolarHBondContact CA-O 3.48Å; L106-L157 HydrophobicContact CD2-CD2 3.42Å; L106-L157 VanDerWaalsContact CD2-CD2 3.42Å; L106-L157 HydrophobicContact CD2-CG 4.27Å; L106-L157 HydrophobicContact CG-CD2 4.31Å
107L75.4Confident80.7Confident13 Ų1358.4 Ų58.47%0.06829%0.285CS..EExtended strand (participates in β ladder)trans-103128.4170.6-59.2-175.9000110.1M46 E112 E113 T156 F158M46-L107 HydrophobicContact CG-CD1 3.86Å; M46-L107 HydrophobicContact SD-CD1 3.36Å; M46-L107 WeakPolarHBondContact SD-CD1 3.35Å; L107-E112 WeakPolarHBondContact CA-O 3.18Å; L107-E113 HydrophobicContact CD2-CB 4.35Å; L107-E113 HydrophobicContact CD2-CG 3.63Å; L107-T156 HydrophobicContact CB-CG2 3.86Å; L107-T156 HydrophobicContact CD1-CG2 3.8Å; L107-T156 HydrophobicContact CG-CG2 4.08Å; L107-T156 PolarHBondContact N-O 3.03Å; L107-F158 HydrophobicContact CD1-CB 4.46Å; L107-F158 HydrophobicContact CD2-CB 4.12Å; L107-F158 HydrophobicContact CD2-CG 4.48Å; L107-F158 HydrophobicContact CG-CB 4.12Å
108N79.1Confident81.5Confident39 Ų3961.5 Ų61.521%0.20930%0.3CS..  trans-76.7178.6172.771.210.8000111.3K110 R111 E112N108-K110 PolarHBondContact O-N 3.43Å; N108-K110 WeakPolarHBondContact OD1-CA 3.47Å; N108-K110 WeakPolarHBondContact OD1-CB 3.41Å; N108-K110 PolarHBondContact OD1-N 3.35Å; N108-R111 WeakPolarHBondContact O-CA 3.32Å; N108-R111 PolarHBondContact O-N 3.19Å; N108-R111 PolarHBondContact OD1-N 3.23Å; N108-R111 VanDerWaalsContact OD1-N 3.16Å; N108-E112 PolarHBondContact N-O 3.19Å; N108-E112 VanDerWaalsContact N-O 3.1Å; N108-E112 PolarHBondContact ND2-OE2 2.82Å; N108-E112 PolarHBondContact OD1-N 3.06Å
109A73.7Confident82.3Confident78 Ų7861 Ų6165%0.64530%0.297SS*.THydrogen-bonded Turntrans-56.2-24.617700000114.4R111 P151A109-R111 VanDerWaalsContact C-N 3.31Å; A109-P151 HydrophobicContact CB-CB 4.07Å; A109-P151 HydrophobicContact CB-CG 4.41Å
110K77Confident82.8Confident162 Ų16265.5 Ų65.570%0.70432%0.322SS*.THydrogen-bonded Turntrans-872.6176.4-60.9-179.3-179.5177.80113.4N108 E112N108-K110 PolarHBondContact O-N 3.43Å; N108-K110 WeakPolarHBondContact OD1-CA 3.47Å; N108-K110 WeakPolarHBondContact OD1-CB 3.41Å; N108-K110 PolarHBondContact OD1-N 3.35Å; K110-E112 VanDerWaalsContact C-N 3.25Å; K110-E112 HydrophobicContact CB-CG 4.04Å; K110-E112 PolarHBondContact O-N 3.06Å
111R71.3Confident83.3Confident181 Ų18173.1 Ų73.168%0.68335%0.35SS*.  trans61.927.1-172.3-57-175.1172-159.5-2.1114.2N108 A109N108-R111 WeakPolarHBondContact O-CA 3.32Å; N108-R111 PolarHBondContact O-N 3.19Å; N108-R111 PolarHBondContact OD1-N 3.23Å; N108-R111 VanDerWaalsContact OD1-N 3.16Å; A109-R111 VanDerWaalsContact C-N 3.31Å
112E77.6Confident83.3Confident106 Ų10670.5 Ų70.550%0.49535%0.345SS..  trans-90.4140.3173.6-58.5164.5153.600109.8L107 N108 K110L107-E112 WeakPolarHBondContact CA-O 3.18Å; N108-E112 PolarHBondContact N-O 3.19Å; N108-E112 VanDerWaalsContact N-O 3.1Å; N108-E112 PolarHBondContact ND2-OE2 2.82Å; N108-E112 PolarHBondContact OD1-N 3.06Å; K110-E112 VanDerWaalsContact C-N 3.25Å; K110-E112 HydrophobicContact CB-CG 4.04Å; K110-E112 PolarHBondContact O-N 3.06Å
113E81.2Confident83.5Confident85 Ų8572.8 Ų72.840%0.39735%0.353SS..EExtended strand (participates in β ladder)trans-70.2133.2176.4-71-174.3-125.600112.3K103 S105 L106 L107 F158K103-E113 VanDerWaalsContact CE-OE2 3.31Å; K103-E113 WeakPolarHBondContact CE-OE2 3.46Å; K103-E113 IonicContact NZ-OE1 3.7Å; K103-E113 IonicContact NZ-OE2 3.09Å; K103-E113 PolarHBondContact NZ-OE2 2.78Å; S105-E113 PolarHBondContact OG-OE2 2.81Å; L106-E113 CarbonylContact O-C 3.57Å; L106-E113 WeakPolarHBondContact O-CA 3.44Å; L107-E113 HydrophobicContact CD2-CB 4.35Å; L107-E113 HydrophobicContact CD2-CG 3.63Å; E113-F158 HydrophobicContact CG-CD1 4.1Å; E113-F158 WeakPolarHBondContact OE1-CE1 3.32Å
114T83.9Confident83.4Confident45 Ų4577.3 Ų77.328%0.27637%0.37SS..EExtended strand (participates in β ladder)trans-141.9164.2175.1-173.20000110.8L106 A116 L149L106-T114 HydrophobicContact CB-CG2 4.02Å; L106-T114 PolarHBondContact N-O 2.9Å; L106-T114 PolarHBondContact O-N 2.87Å; T114-A116 VanDerWaalsContact C-N 3.27Å; T114-A116 PolarHBondContact O-N 3.17Å; T114-L149 HydrophobicContact CG2-CD2 3.46Å; T114-L149 VanDerWaalsContact CG2-CD2 3.46Å
115K89.3Confident83Confident101 Ų10177.6 Ų77.644%0.43937%0.371SS..EExtended strand (participates in β ladder)trans48.946.6178.1-53.3-54.9-178.6179.90113.3L106 F136 I137 F141 L149L106-K115 HydrophobicContact CD1-CB 4.11Å; L106-K115 HydrophobicContact CD1-CG 4.36Å; K115-F136 WeakPolarHBondContact O-CZ 3.38Å; K115-I137 HydrophobicContact CB-CD1 4.26Å; K115-I137 HydrophobicContact CG-CD1 4Å; K115-F141 HydrophobicContact CD-CE1 4.43Å; K115-L149 HydrophobicContact CG-CD1 4.5Å
116A89.8Confident82.7Confident56 Ų5680.1 Ų80.146%0.46339%0.386SS..EExtended strand (participates in β ladder)trans-72.9140.3-179.800000112.1F104 T114F104-A116 CarbonylContact O-C 3.45Å; F104-A116 VanDerWaalsContact O-CA 3.23Å; F104-A116 WeakPolarHBondContact O-CA 3.49Å; T114-A116 VanDerWaalsContact C-N 3.27Å; T114-A116 PolarHBondContact O-N 3.17Å
117M91.9Very high82.2Confident61 Ų6186.5 Ų86.530%0.342%0.416SS..EExtended strand (participates in β ladder)trans-133.2134165.4-99-170.5-94.400110.4K103 F104 F133 F136K103-M117 CarbonylContact C-O 3.58Å; K103-M117 VanDerWaalsContact CA-O 3.32Å; K103-M117 WeakPolarHBondContact CA-O 3.37Å; F104-M117 PolarHBondContact N-O 3.47Å; F104-M117 PolarHBondContact O-N 3.14Å; M117-F133 HydrophobicContact CB-CD2 3.83Å; M117-F133 HydrophobicContact CB-CE1 4.4Å; M117-F133 HydrophobicContact CB-CE2 3.61Å; M117-F133 HydrophobicContact CB-CG 4.35Å; M117-F133 HydrophobicContact CB-CZ 3.93Å; M117-F133 WeakPolarHBondContact O-CE2 3.42Å; M117-F133 HydrophobicContact SD-CB 4.29Å; M117-F133 HydrophobicContact SD-CD1 3.99Å; M117-F133 HydrophobicContact SD-CD2 4.29Å; M117-F133 HydrophobicContact SD-CE1 4.45Å; M117-F133 HydrophobicContact SD-CG 3.91Å; M117-F136 HydrophobicContact CB-CD2 4.15Å; M117-F136 HydrophobicContact CB-CE2 4.07Å; M117-F136 VanDerWaalsContact CE-C 3.49Å; M117-F136 VanDerWaalsContact CE-CA 3.43Å; M117-F136 HydrophobicContact CE-CB 4.32Å; M117-F136 HydrophobicContact CE-CD2 3.63Å; M117-F136 HydrophobicContact CE-CE2 4.26Å; M117-F136 HydrophobicContact CE-CG 4.21Å; M117-F136 WeakPolarHBondContact CE-O 3.01Å
118E91.7Very high81.8Confident131 Ų13188.6 Ų88.661%0.61244%0.44SS*.EExtended strand (participates in β ladder)trans-123.7150-177.263.1171.9-152.800112.7F102 K103 Q120F102-E118 CarbonylContact O-C 3.31Å; F102-E118 WeakPolarHBondContact O-CA 3.44Å; K103-E118 HydrophobicContact CB-CB 3.96Å; K103-E118 HydrophobicContact CG-CB 4.14Å; E118-Q120 PolarHBondContact O-N 3.32Å
119S88.8Confident81.7Confident6 Ų690.9 Ų90.94%0.04245%0.449CS..  trans-68.7124.5175.866.60000109.9K101 F102 R121K101-S119 VanDerWaalsContact CA-OG 3.26Å; K101-S119 WeakPolarHBondContact CA-OG 3.26Å; K101-S119 WeakPolarHBondContact CB-OG 3.42Å; F102-S119 PolarHBondContact N-OG 3.06Å; F102-S119 WeakPolarHBondContact O-CB 3.33Å; F102-S119 PolarHBondContact O-N 3.13Å; F102-S119 PolarHBondContact O-OG 3.44Å; S119-R121 PolarHBondContact O-N 3.34Å; S119-R121 VanDerWaalsContact O-N 3.12Å; S119-R121 PolarHBondContact OG-O 2.66Å
120Q88Confident82.1Confident175 Ų17589 Ų8982%0.81843%0.428SS*.SBendtrans-55-31.2176.9-69.8-76.7-28.400113.6E118E118-Q120 PolarHBondContact O-N 3.32Å
121R86.4Confident82.5Confident163 Ų16384.9 Ų84.962%0.61541%0.408SS*.SBendtrans-145.3167.6-177.563.8-179.6178-177-1.6110.9S119 Y123S119-R121 PolarHBondContact O-N 3.34Å; S119-R121 VanDerWaalsContact O-N 3.12Å; S119-R121 PolarHBondContact OG-O 2.66Å; R121-Y123 HydrophobicContact CG-CD2 4.48Å; R121-Y123 HydrophobicContact CG-CE2 4.1Å; R121-Y123 WeakPolarHBondContact O-CD2 3.27Å; R121-Y123 WeakPolarHBondContact O-CE2 3.45Å; R121-Y123 PolarHBondContact O-N 2.98Å
122A83.9Confident83.4Confident33 Ų3377.4 Ų77.427%0.27339%0.387SS..  trans-68.9126.516900000109.5R99 A100 K101 V164R99-A122 HydrophobicContact CB-CB 4.41Å; A100-A122 CarbonylContact O-C 3.37Å; A100-A122 WeakPolarHBondContact O-CA 3.44Å; K101-A122 HydrophobicContact CG-CB 4.06Å; A122-V164 HydrophobicContact CB-CB 4.37Å; A122-V164 HydrophobicContact CB-CG2 3.8Å
123Y85.1Confident84Confident53 Ų5374.3 Ų74.321%0.20837%0.372CS..EExtended strand (participates in β ladder)trans-96.6147175.9-75.3-89000110.5R99 A100 F102 R121 F125 W131R99-Y123 VanDerWaalsContact CA-O 3.31Å; R99-Y123 WeakPolarHBondContact CA-O 3.34Å; A100-Y123 PolarHBondContact N-O 3.47Å; A100-Y123 PolarHBondContact O-N 2.81Å; F102-Y123 AromaticContact CE1-CD2 3.79Å; F102-Y123 HydrophobicContact CE1-CD2 3.79Å; F102-Y123 HydrophobicContact CE1-CE2 4.35Å; F102-Y123 HydrophobicContact CE1-CG 4.46Å; F102-Y123 HydrophobicContact CZ-CD2 4.47Å; R121-Y123 HydrophobicContact CG-CD2 4.48Å; R121-Y123 HydrophobicContact CG-CE2 4.1Å; R121-Y123 WeakPolarHBondContact O-CD2 3.27Å; R121-Y123 WeakPolarHBondContact O-CE2 3.45Å; R121-Y123 PolarHBondContact O-N 2.98Å; Y123-F125 VanDerWaalsContact O-CD2 3.27Å; Y123-F125 WeakPolarHBondContact O-CD2 3.23Å; Y123-F125 PolarHBondContact O-N 2.99Å; Y123-W131 AromaticContact CD1-CD2 3.46Å; Y123-W131 HydrophobicContact CD1-CD2 3.46Å; Y123-W131 VanDerWaalsContact CD1-CD2 3.46Å; Y123-W131 AromaticContact CD1-CE2 3.65Å; Y123-W131 AromaticContact CD1-CE3 3.46Å; Y123-W131 HydrophobicContact CD1-CE3 3.46Å; Y123-W131 VanDerWaalsContact CD1-CE3 3.46Å; Y123-W131 HydrophobicContact CD1-CG 4.07Å; Y123-W131 AromaticContact CD1-CH2 3.85Å; Y123-W131 HydrophobicContact CD1-CH2 3.85Å; Y123-W131 AromaticContact CD1-CZ2 3.83Å; Y123-W131 HydrophobicContact CD1-CZ2 3.83Å; Y123-W131 AromaticContact CD1-CZ3 3.68Å; Y123-W131 HydrophobicContact CD1-CZ3 3.68Å; Y123-W131 HydrophobicContact CE1-CD2 4.15Å; Y123-W131 AromaticContact CE1-CE3 3.66Å; Y123-W131 HydrophobicContact CE1-CE3 3.66Å; Y123-W131 HydrophobicContact CE1-CH2 4.12Å; Y123-W131 AromaticContact CE1-CZ3 3.66Å; Y123-W131 HydrophobicContact CE1-CZ3 3.66Å; Y123-W131 HydrophobicContact CG-CB 4.43Å; Y123-W131 AromaticContact CG-CD2 3.88Å; Y123-W131 HydrophobicContact CG-CD2 3.88Å; Y123-W131 HydrophobicContact CG-CE3 4.21Å; Y123-W131 AromaticContact CG-CG 3.97Å; Y123-W131 HydrophobicContact CG-CG 3.97Å
124R85.1Confident84.4Confident135 Ų13573.1 Ų73.151%0.50937%0.365SS..EExtended strand (participates in β ladder)trans-81.4113.8172.8179.9-177.1-80.8-177-15109.5E97 W131E97-R124 HydrophobicContact CB-CG 4.13Å; E97-R124 VanDerWaalsContact CD-CZ 3.5Å; E97-R124 IonicContact OE1-CZ 2.77Å; E97-R124 IonicContact OE1-NE 3.21Å; E97-R124 PolarHBondContact OE1-NE 2.8Å; E97-R124 IonicContact OE1-NH2 2.78Å; E97-R124 PolarHBondContact OE1-NH2 3.43Å; E97-R124 VanDerWaalsContact OE2-CD 3.23Å; E97-R124 WeakPolarHBondContact OE2-CD 3.41Å; E97-R124 IonicContact OE2-CZ 3.75Å; E97-R124 IonicContact OE2-NE 2.96Å; E97-R124 PolarHBondContact OE2-NE 3.35Å; E97-R124 IonicContact OE2-NH1 3.43Å; E97-R124 IonicContact OE2-NH2 2.75Å; E97-R124 PolarHBondContact OE2-NH2 3.1Å; R124-W131 PolarHBondContact O-NE1 2.98Å
125F76.5Confident84.8Confident7 Ų775.5 Ų75.53%0.03137%0.372CS..EExtended strand (participates in β ladder)trans-96.1130.7171.1-66-97000109.5L88 L90 E97 V98 A100 F102 Y123 W131L88-F125 HydrophobicContact CB-CE1 4.2Å; L88-F125 HydrophobicContact CB-CZ 4.45Å; L88-F125 HydrophobicContact CD2-CE1 4.05Å; L88-F125 HydrophobicContact CD2-CZ 3.85Å; L88-F125 HydrophobicContact CG-CE1 4.08Å; L88-F125 HydrophobicContact CG-CZ 4.35Å; L88-F125 WeakPolarHBondContact O-CE1 3.41Å; L90-F125 HydrophobicContact CB-CB 4.02Å; L90-F125 HydrophobicContact CB-CD1 4.16Å; L90-F125 HydrophobicContact CD2-CB 3.61Å; L90-F125 HydrophobicContact CG-CB 4.39Å; E97-F125 WeakPolarHBondContact CA-O 3.37Å; V98-F125 PolarHBondContact N-O 2.79Å; V98-F125 PolarHBondContact O-N 3.01Å; A100-F125 HydrophobicContact CB-CD2 4.12Å; A100-F125 HydrophobicContact CB-CE2 3.92Å; F102-F125 HydrophobicContact CD1-CE2 4.42Å; F102-F125 AromaticContact CD1-CZ 3.9Å; F102-F125 HydrophobicContact CD1-CZ 3.9Å; F102-F125 HydrophobicContact CE1-CZ 4.12Å; Y123-F125 VanDerWaalsContact O-CD2 3.27Å; Y123-F125 WeakPolarHBondContact O-CD2 3.23Å; Y123-F125 PolarHBondContact O-N 2.99Å; F125-W131 AromaticContact CD1-CD1 3.77Å; F125-W131 HydrophobicContact CE1-CB 3.96Å; F125-W131 AromaticContact CE1-CD1 3.55Å; F125-W131 HydrophobicContact CE1-CG 4.16Å; F125-W131 HydrophobicContact CZ-CB 3.83Å; F125-W131 AromaticContact CZ-CD1 3.67Å; F125-W131 HydrophobicContact CZ-CG 4.12Å
126V78.9Confident84.7Confident53 Ų5371.2 Ų71.232%0.32135%0.353SS..  trans-122.3162.1167.2-63.50000107.5E97 G128 K129E97-V126 HydrophobicContact CB-CG1 4.17Å; V126-G128 PolarHBondContact O-N 3.02Å; V126-K129 HydrophobicContact CG2-CB 3.62Å; V126-K129 HydrophobicContact CG2-CD 3.86Å; V126-K129 HydrophobicContact CG2-CG 4.39Å; V126-K129 VanDerWaalsContact O-CB 3.3Å; V126-K129 WeakPolarHBondContact O-CB 3.49Å; V126-K129 PolarHBondContact O-N 2.86Å
127Q72.6Confident84.7Confident133 Ų13369.1 Ų69.162%0.62133%0.334SS*.THydrogen-bonded Turntrans-54.9129.9-179.6-169176.410.400111.3V91 K129V91-Q127 WeakPolarHBondContact O-CG 3.48Å; V91-Q127 PolarHBondContact O-NE2 2.77Å; V91-Q127 VanDerWaalsContact O-NE2 3.16Å; Q127-K129 VanDerWaalsContact C-N 3.29Å; Q127-K129 PolarHBondContact O-N 3.21Å
128G66.8Low84.6Confident57 Ų5772.2 Ų72.259%0.58834%0.343SS*.THydrogen-bonded Turntrans80.80.5-177.500000115L90 V126L90-G128 PolarHBondContact O-N 3.44Å; V126-G128 PolarHBondContact O-N 3.02Å
129K76.8Confident84.2Confident87 Ų8769.6 Ų69.638%0.37833%0.327SS..  trans-99.4141.2178.4-168.8169.9-173.3175.20111.7L90 V126 Q127 W131L90-K129 PolarHBondContact N-O 2.99Å; V126-K129 HydrophobicContact CG2-CB 3.62Å; V126-K129 HydrophobicContact CG2-CD 3.86Å; V126-K129 HydrophobicContact CG2-CG 4.39Å; V126-K129 VanDerWaalsContact O-CB 3.3Å; V126-K129 WeakPolarHBondContact O-CB 3.49Å; V126-K129 PolarHBondContact O-N 2.86Å; Q127-K129 VanDerWaalsContact C-N 3.29Å; Q127-K129 PolarHBondContact O-N 3.21Å; K129-W131 VanDerWaalsContact CE-CZ2 3.41Å
130D81.1Confident84.2Confident38 Ų3873.7 Ų73.720%0.20335%0.349CS..EExtended strand (participates in β ladder)trans-122.8159.4177.461.268.7000113.3R70 Y87 L88 L89R70-D130 IonicContact CZ-OD1 2.73Å; R70-D130 IonicContact CZ-OD2 3.77Å; R70-D130 IonicContact NH1-OD2 2.85Å; R70-D130 PolarHBondContact NH1-OD2 3.14Å; R70-D130 IonicContact NH2-OD1 3.81Å; R70-D130 PolarHBondContact NH2-OD1 3.45Å; R70-D130 IonicContact NH2-OD2 3.94Å; R70-D130 PolarHBondContact NH2-OD2 3.34Å; Y87-D130 WeakPolarHBondContact CD1-OD1 3.4Å; L88-D130 CarbonylContact O-C 3.56Å; L88-D130 WeakPolarHBondContact O-CA 3.46Å; L88-D130 VanDerWaalsContact O-CB 3.3Å; L88-D130 WeakPolarHBondContact O-CB 3.29Å; L89-D130 HydrophobicContact CB-CB 3.94Å; L89-D130 HydrophobicContact CD1-CB 4.01Å
131W86.4Confident84.2Confident76 Ų7668.8 Ų68.829%0.28833%0.325SS..EExtended strand (participates in β ladder)trans-144.1141.6174.8-68.3104.5000109.8Y87 L88 F102 Y123 R124 F125 K129Y87-W131 CarbonylContact C-O 3.28Å; Y87-W131 WeakPolarHBondContact CA-O 3.23Å; L88-W131 PolarHBondContact N-O 2.94Å; L88-W131 PolarHBondContact O-N 3.24Å; F102-W131 HydrophobicContact CE1-CB 3.6Å; F102-W131 HydrophobicContact CZ-CB 3.88Å; Y123-W131 AromaticContact CD1-CD2 3.46Å; Y123-W131 HydrophobicContact CD1-CD2 3.46Å; Y123-W131 VanDerWaalsContact CD1-CD2 3.46Å; Y123-W131 AromaticContact CD1-CE2 3.65Å; Y123-W131 AromaticContact CD1-CE3 3.46Å; Y123-W131 HydrophobicContact CD1-CE3 3.46Å; Y123-W131 VanDerWaalsContact CD1-CE3 3.46Å; Y123-W131 HydrophobicContact CD1-CG 4.07Å; Y123-W131 AromaticContact CD1-CH2 3.85Å; Y123-W131 HydrophobicContact CD1-CH2 3.85Å; Y123-W131 AromaticContact CD1-CZ2 3.83Å; Y123-W131 HydrophobicContact CD1-CZ2 3.83Å; Y123-W131 AromaticContact CD1-CZ3 3.68Å; Y123-W131 HydrophobicContact CD1-CZ3 3.68Å; Y123-W131 HydrophobicContact CE1-CD2 4.15Å; Y123-W131 AromaticContact CE1-CE3 3.66Å; Y123-W131 HydrophobicContact CE1-CE3 3.66Å; Y123-W131 HydrophobicContact CE1-CH2 4.12Å; Y123-W131 AromaticContact CE1-CZ3 3.66Å; Y123-W131 HydrophobicContact CE1-CZ3 3.66Å; Y123-W131 HydrophobicContact CG-CB 4.43Å; Y123-W131 AromaticContact CG-CD2 3.88Å; Y123-W131 HydrophobicContact CG-CD2 3.88Å; Y123-W131 HydrophobicContact CG-CE3 4.21Å; Y123-W131 AromaticContact CG-CG 3.97Å; Y123-W131 HydrophobicContact CG-CG 3.97Å; R124-W131 PolarHBondContact O-NE1 2.98Å; F125-W131 AromaticContact CD1-CD1 3.77Å; F125-W131 HydrophobicContact CE1-CB 3.96Å; F125-W131 AromaticContact CE1-CD1 3.55Å; F125-W131 HydrophobicContact CE1-CG 4.16Å; F125-W131 HydrophobicContact CZ-CB 3.83Å; F125-W131 AromaticContact CZ-CD1 3.67Å; F125-W131 HydrophobicContact CZ-CG 4.12Å; K129-W131 VanDerWaalsContact CE-CZ2 3.41Å
132G89.4Confident83.9Confident24 Ų2461.3 Ų61.325%0.24730%0.297CS..EExtended strand (participates in β ladder)trans-178.3-165.6-171.600000114.6L86L86-G132 CarbonylContact O-C 3.48Å; L86-G132 WeakPolarHBondContact O-CA 3.48Å
133F91.1Very high83.7Confident41 Ų4164.2 Ų64.218%0.1831%0.307CS..EExtended strand (participates in β ladder)trans-115.2116.6177.5-52.2-71.2000110.2S85 L86 F102 F104 M117 K135 F136S85-F133 WeakPolarHBondContact CA-O 3.49Å; L86-F133 PolarHBondContact N-O 3.11Å; L86-F133 VanDerWaalsContact N-O 3.08Å; L86-F133 PolarHBondContact O-N 3.42Å; F102-F133 HydrophobicContact CD2-CE2 4.27Å; F102-F133 HydrophobicContact CE2-CD2 4.45Å; F102-F133 AromaticContact CE2-CE2 3.72Å; F102-F133 HydrophobicContact CE2-CE2 3.72Å; F102-F133 AromaticContact CE2-CZ 3.84Å; F102-F133 HydrophobicContact CE2-CZ 3.84Å; F104-F133 AromaticContact CD2-CD2 3.66Å; F104-F133 HydrophobicContact CD2-CD2 3.66Å; F104-F133 AromaticContact CD2-CE2 3.68Å; F104-F133 HydrophobicContact CD2-CE2 3.68Å; F104-F133 HydrophobicContact CE2-CD2 4.16Å; F104-F133 HydrophobicContact CE2-CE2 4.2Å; M117-F133 HydrophobicContact CB-CD2 3.83Å; M117-F133 HydrophobicContact CB-CE1 4.4Å; M117-F133 HydrophobicContact CB-CE2 3.61Å; M117-F133 HydrophobicContact CB-CG 4.35Å; M117-F133 HydrophobicContact CB-CZ 3.93Å; M117-F133 WeakPolarHBondContact O-CE2 3.42Å; M117-F133 HydrophobicContact SD-CB 4.29Å; M117-F133 HydrophobicContact SD-CD1 3.99Å; M117-F133 HydrophobicContact SD-CD2 4.29Å; M117-F133 HydrophobicContact SD-CE1 4.45Å; M117-F133 HydrophobicContact SD-CG 3.91Å; F133-K135 VanDerWaalsContact C-N 3.25Å; F133-K135 PolarHBondContact O-N 3.46Å; F133-F136 HydrophobicContact CB-CB 4.26Å; F133-F136 HydrophobicContact CD2-CD2 4.24Å
134K88.9Confident83.6Confident60 Ų6065.4 Ų65.426%0.26132%0.317SS..EExtended strand (participates in β ladder)trans-60.1-35.7174-175.9-179.2179.1178.80112.1D77 E79 S85 Y87D77-K134 VanDerWaalsContact CG-NZ 3.27Å; D77-K134 WeakPolarHBondContact OD1-CE 3.05Å; D77-K134 IonicContact OD1-NZ 2.71Å; D77-K134 PolarHBondContact OD1-NZ 3.17Å; D77-K134 VanDerWaalsContact OD1-NZ 3.15Å; D77-K134 WeakPolarHBondContact OD2-CE 3.31Å; D77-K134 IonicContact OD2-NZ 2.77Å; D77-K134 PolarHBondContact OD2-NZ 3.46Å; E79-K134 IonicContact OE2-NZ 3.39Å; E79-K134 PolarHBondContact OE2-NZ 2.63Å; S85-K134 WeakPolarHBondContact CB-O 3.35Å; S85-K134 PolarHBondContact OG-O 3.23Å; Y87-K134 WeakPolarHBondContact OH-CA 3.4Å
135K91.6Very high83.4Confident95 Ų9567.6 Ų67.641%0.41333%0.333SS..EExtended strand (participates in β ladder)trans-122.272.8-179.9-67.1-174.8175.7-172.70109.8E79 Y83 F133E79-K135 WeakPolarHBondContact O-CE 3.41Å; E79-K135 PolarHBondContact O-NZ 2.98Å; Y83-K135 HydrophobicContact CD1-CB 3.63Å; Y83-K135 HydrophobicContact CD1-CG 4.08Å; Y83-K135 HydrophobicContact CD2-CB 4.45Å; Y83-K135 HydrophobicContact CD2-CD 4.13Å; Y83-K135 HydrophobicContact CD2-CG 3.98Å; Y83-K135 HydrophobicContact CE1-CB 3.92Å; Y83-K135 HydrophobicContact CE1-CD 4.36Å; Y83-K135 HydrophobicContact CE1-CG 4.35Å; Y83-K135 HydrophobicContact CE2-CD 3.95Å; Y83-K135 HydrophobicContact CE2-CG 4.28Å; Y83-K135 HydrophobicContact CG-CB 3.92Å; Y83-K135 HydrophobicContact CG-CD 4.45Å; Y83-K135 HydrophobicContact CG-CG 3.89Å; F133-K135 VanDerWaalsContact C-N 3.25Å; F133-K135 PolarHBondContact O-N 3.46Å
136F88.6Confident83.8Confident11 Ų1171.6 Ų71.65%0.04837%0.367CS..EExtended strand (participates in β ladder)trans-75.1-54.9-177.1176.1-105.7000111.9L84 L86 F104 L106 K115 M117 F133 L157L84-F136 HydrophobicContact CD2-CD1 4.26Å; L84-F136 VanDerWaalsContact O-CB 3.27Å; L84-F136 WeakPolarHBondContact O-CB 3.43Å; L84-F136 PolarHBondContact O-N 3.01Å; L86-F136 HydrophobicContact CB-CB 4.39Å; L86-F136 HydrophobicContact CB-CG 4.43Å; L86-F136 HydrophobicContact CD1-CB 4.25Å; L86-F136 HydrophobicContact CD1-CD1 3.27Å; L86-F136 HydrophobicContact CD1-CD2 3.89Å; L86-F136 HydrophobicContact CD1-CE1 3.43Å; L86-F136 VanDerWaalsContact CD1-CE1 3.43Å; L86-F136 HydrophobicContact CD1-CE2 4.04Å; L86-F136 HydrophobicContact CD1-CG 3.52Å; L86-F136 HydrophobicContact CD1-CZ 3.83Å; L86-F136 HydrophobicContact CG-CB 4.07Å; L86-F136 HydrophobicContact CG-CD1 3.84Å; L86-F136 HydrophobicContact CG-CE1 4.45Å; L86-F136 HydrophobicContact CG-CG 3.9Å; F104-F136 HydrophobicContact CB-CD2 4.31Å; F104-F136 HydrophobicContact CB-CE2 3.69Å; F104-F136 HydrophobicContact CB-CZ 4.13Å; L106-F136 HydrophobicContact CD1-CE1 4.34Å; L106-F136 HydrophobicContact CD2-CE1 4.39Å; L106-F136 HydrophobicContact CG-CE1 4.08Å; L106-F136 HydrophobicContact CG-CZ 4.39Å; K115-F136 WeakPolarHBondContact O-CZ 3.38Å; M117-F136 HydrophobicContact CB-CD2 4.15Å; M117-F136 HydrophobicContact CB-CE2 4.07Å; M117-F136 VanDerWaalsContact CE-C 3.49Å; M117-F136 VanDerWaalsContact CE-CA 3.43Å; M117-F136 HydrophobicContact CE-CB 4.32Å; M117-F136 HydrophobicContact CE-CD2 3.63Å; M117-F136 HydrophobicContact CE-CE2 4.26Å; M117-F136 HydrophobicContact CE-CG 4.21Å; M117-F136 WeakPolarHBondContact CE-O 3.01Å; F133-F136 HydrophobicContact CB-CB 4.26Å; F133-F136 HydrophobicContact CD2-CD2 4.24Å; F136-L157 HydrophobicContact CE1-CD2 4.07Å
137I88.3Confident84.1Confident13 Ų1371.5 Ų71.57%0.06737%0.365CS..EExtended strand (participates in β ladder)trans-144.8142.4175.4-166.8166.2000110.2Y83 L84 L106 K115 F141 L142 L149Y83-I137 CarbonylContact C-O 3.48Å; Y83-I137 VanDerWaalsContact CA-O 3.24Å; Y83-I137 WeakPolarHBondContact CA-O 3.38Å; L84-I137 HydrophobicContact CB-CG2 3.76Å; L84-I137 HydrophobicContact CD2-CG2 3.96Å; L84-I137 HydrophobicContact CG-CG2 4.49Å; L84-I137 PolarHBondContact N-O 3.42Å; L84-I137 PolarHBondContact O-N 3.27Å; L106-I137 HydrophobicContact CD1-CD1 3.5Å; L106-I137 VanDerWaalsContact CD1-CD1 3.5Å; K115-I137 HydrophobicContact CB-CD1 4.26Å; K115-I137 HydrophobicContact CG-CD1 4Å; I137-F141 HydrophobicContact CD1-CD1 3.91Å; I137-F141 HydrophobicContact CD1-CE1 4.44Å; I137-F141 HydrophobicContact CG1-CD1 4.25Å; I137-L142 HydrophobicContact CD1-CD1 4.37Å; I137-L142 HydrophobicContact CG2-CB 4.25Å; I137-L142 HydrophobicContact CG2-CD1 4.47Å; I137-L142 HydrophobicContact CG2-CD2 4.12Å; I137-L149 HydrophobicContact CD1-CD1 3.79Å
138R90.6Very high84.5Confident126 Ų12667 Ų6748%0.47535%0.354SS..EExtended strand (participates in β ladder)trans-65.3137.5173.6-77.7-171.862.8-173.6-5.5109.6D82 Y83 D140 F141 L142D82-R138 WeakPolarHBondContact O-CA 3.33Å; Y83-R138 HydrophobicContact CD1-CB 4.48Å; Y83-R138 HydrophobicContact CD1-CG 3.8Å; Y83-R138 HydrophobicContact CE1-CB 4.36Å; Y83-R138 HydrophobicContact CE1-CG 3.26Å; Y83-R138 HydrophobicContact CE2-CG 4.21Å; Y83-R138 HydrophobicContact CG-CG 4.47Å; Y83-R138 VanDerWaalsContact CZ-CG 3.49Å; R138-D140 IonicContact CZ-OD2 2.83Å; R138-D140 IonicContact NH2-OD2 2.83Å; R138-D140 PolarHBondContact NH2-OD2 3.41Å; R138-F141 HydrophobicContact CB-CB 4.2Å; R138-F141 PolarHBondContact O-N 2.92Å; R138-L142 PolarHBondContact O-N 3.04Å
139R84.1Confident84.9Confident76 Ų7664.5 Ų64.529%0.28733%0.327SS..Hα-helixtrans-65.6-43.2-177.7-67.7177.365.8-170.8-2.9112.1P73 K81 D82 F141 L142 L143P73-R139 VanDerWaalsContact O-CD 3.24Å; P73-R139 WeakPolarHBondContact O-CD 3.22Å; P73-R139 PolarHBondContact O-NE 3.19Å; K81-R139 WeakPolarHBondContact O-CD 3.37Å; K81-R139 PolarHBondContact O-NH1 2.98Å; D82-R139 WeakPolarHBondContact O-CG 3.46Å; D82-R139 PolarHBondContact O-N 3Å; R139-F141 PolarHBondContact O-N 3.25Å; R139-L142 PolarHBondContact O-N 2.94Å; R139-L143 WeakPolarHBondContact O-CB 3.41Å; R139-L143 WeakPolarHBondContact O-CG 3.45Å; R139-L143 PolarHBondContact O-N 3.31Å
140D87.3Confident84.8Confident92 Ų9261.9 Ų61.949%0.49232%0.317SS..Hα-helixtrans-57.8-40.9177.6-44.8-33.3000111.5R138 D144R138-D140 IonicContact CZ-OD2 2.83Å; R138-D140 IonicContact NH2-OD2 2.83Å; R138-D140 PolarHBondContact NH2-OD2 3.41Å; D140-D144 VanDerWaalsContact O-CB 3.26Å; D140-D144 WeakPolarHBondContact O-CB 3.39Å; D140-D144 PolarHBondContact O-N 3.08Å; D140-D144 VanDerWaalsContact O-N 3.11Å
141F88.1Confident84.3Confident72 Ų7262 Ų6232%0.31632%0.32SS..Hα-helixtrans-70.2-36.9177.6-172.8-83.8000112K115 I137 R138 R139 N147 L149K115-F141 HydrophobicContact CD-CE1 4.43Å; I137-F141 HydrophobicContact CD1-CD1 3.91Å; I137-F141 HydrophobicContact CD1-CE1 4.44Å; I137-F141 HydrophobicContact CG1-CD1 4.25Å; R138-F141 HydrophobicContact CB-CB 4.2Å; R138-F141 PolarHBondContact O-N 2.92Å; R139-F141 PolarHBondContact O-N 3.25Å; F141-N147 HydrophobicContact CE1-CB 4.06Å; F141-N147 WeakPolarHBondContact CE2-OD1 3.33Å; F141-N147 HydrophobicContact CZ-CB 4.12Å; F141-N147 VanDerWaalsContact CZ-CG 3.5Å; F141-N147 VanDerWaalsContact CZ-OD1 3.29Å; F141-N147 WeakPolarHBondContact CZ-OD1 3.26Å; F141-N147 PolarHBondContact O-ND2 3.49Å; F141-L149 HydrophobicContact CD1-CD1 3.98Å; F141-L149 HydrophobicContact CE1-CD1 3.73Å
142L81.3Confident83.5Confident5 Ų565.1 Ų65.13%0.02634%0.342CS..Hα-helixtrans-68.8-40.3178.8-179.363.5000112.2L84 L106 I137 R138 R139 L149 L150 L155L84-L142 HydrophobicContact CD2-CD2 4.07Å; L106-L142 HydrophobicContact CD1-CD1 4.04Å; I137-L142 HydrophobicContact CD1-CD1 4.37Å; I137-L142 HydrophobicContact CG2-CB 4.25Å; I137-L142 HydrophobicContact CG2-CD1 4.47Å; I137-L142 HydrophobicContact CG2-CD2 4.12Å; R138-L142 PolarHBondContact O-N 3.04Å; R139-L142 PolarHBondContact O-N 2.94Å; L142-L149 HydrophobicContact CD1-CB 3.91Å; L142-L149 HydrophobicContact CD1-CD1 4.08Å; L142-L150 HydrophobicContact CD1-CG 4.49Å; L142-L150 HydrophobicContact CG-CD1 4.39Å; L142-L150 VanDerWaalsContact O-CD1 3.25Å; L142-L150 WeakPolarHBondContact O-CD1 3.49Å; L142-L155 HydrophobicContact CD1-CD1 3.67Å; L142-L155 HydrophobicContact CD2-CD1 4.14Å; L142-L155 HydrophobicContact CD2-CD2 4.45Å; L142-L155 HydrophobicContact CG-CD1 4.42Å
143L78.6Confident82.4Confident95 Ų9570.6 Ų70.650%0.49737%0.366SS..Hα-helixtrans-83.4-14.3-176.4-65.8171000113.4L51 R139 E145 L150L51-L143 HydrophobicContact CD1-CD2 4.32Å; R139-L143 WeakPolarHBondContact O-CB 3.41Å; R139-L143 WeakPolarHBondContact O-CG 3.45Å; R139-L143 PolarHBondContact O-N 3.31Å; L143-E145 PolarHBondContact O-N 3.11Å; L143-L150 HydrophobicContact CD2-CD1 3.89Å
144D84.4Confident81.1Confident78 Ų7873.8 Ų73.842%0.41738%0.38SS..  trans-72.2111.1176.4171.913000110.5D140 A146 N147D140-D144 VanDerWaalsContact O-CB 3.26Å; D140-D144 WeakPolarHBondContact O-CB 3.39Å; D140-D144 PolarHBondContact O-N 3.08Å; D140-D144 VanDerWaalsContact O-N 3.11Å; D144-A146 PolarHBondContact O-N 3.07Å; D144-A146 VanDerWaalsContact O-N 3.12Å; D144-A146 VanDerWaalsContact OD1-CB 3.26Å; D144-A146 WeakPolarHBondContact OD1-CB 3.37Å; D144-A146 PolarHBondContact OD1-N 3.38Å; D144-N147 VanDerWaalsContact CB-ND2 3.35Å; D144-N147 WeakPolarHBondContact CB-ND2 3.17Å; D144-N147 WeakPolarHBondContact O-CB 3.45Å; D144-N147 PolarHBondContact O-N 3.41Å; D144-N147 PolarHBondContact OD2-ND2 3.37Å
145E80.9Confident80.3Confident181 Ų18171 Ų7185%0.84637%0.368SS*.G310 helixtrans-54-30.1-179.2-67.7-177.8-173.900112.7L143 N147 G148L143-E145 PolarHBondContact O-N 3.11Å; E145-N147 PolarHBondContact O-N 3.25Å; E145-N147 VanDerWaalsContact O-N 3.12Å; E145-G148 PolarHBondContact O-N 3.24Å
146A84.6Confident79.3Confident90 Ų9067.3 Ų67.374%0.74435%0.353SS*.G310 helixtrans-61.5-22.417800000112.7D144D144-A146 PolarHBondContact O-N 3.07Å; D144-A146 VanDerWaalsContact O-N 3.12Å; D144-A146 VanDerWaalsContact OD1-CB 3.26Å; D144-A146 WeakPolarHBondContact OD1-CB 3.37Å; D144-A146 PolarHBondContact OD1-N 3.38Å
147N83.9Confident78.4Confident52 Ų5266.8 Ų66.828%0.27835%0.351SS..G310 helixtrans-86.1-12.4179.6-61.7-54.4000113.4F141 D144 E145 L149F141-N147 HydrophobicContact CE1-CB 4.06Å; F141-N147 WeakPolarHBondContact CE2-OD1 3.33Å; F141-N147 HydrophobicContact CZ-CB 4.12Å; F141-N147 VanDerWaalsContact CZ-CG 3.5Å; F141-N147 VanDerWaalsContact CZ-OD1 3.29Å; F141-N147 WeakPolarHBondContact CZ-OD1 3.26Å; F141-N147 PolarHBondContact O-ND2 3.49Å; D144-N147 VanDerWaalsContact CB-ND2 3.35Å; D144-N147 WeakPolarHBondContact CB-ND2 3.17Å; D144-N147 WeakPolarHBondContact O-CB 3.45Å; D144-N147 PolarHBondContact O-N 3.41Å; D144-N147 PolarHBondContact OD2-ND2 3.37Å; E145-N147 PolarHBondContact O-N 3.25Å; E145-N147 VanDerWaalsContact O-N 3.12Å; N147-L149 VanDerWaalsContact C-N 3.25Å; N147-L149 HydrophobicContact CB-CD1 4.31Å; N147-L149 HydrophobicContact CB-CG 4.19Å; N147-L149 PolarHBondContact O-N 2.9Å
148G81.4Confident77.7Confident37 Ų3767 Ų6738%0.38135%0.352SS..  trans60.328.9173.300000115.1E145E145-G148 PolarHBondContact O-N 3.24Å
149L75.1Confident76.8Confident6 Ų661.2 Ų61.23%0.03133%0.33CS..  trans-92-10.6-177.1-64.4179.3000114L106 T114 K115 I137 F141 L142 N147 P151L106-L149 HydrophobicContact CB-CD2 4.39Å; L106-L149 HydrophobicContact CD1-CD1 3.94Å; L106-L149 HydrophobicContact CD1-CD2 4.27Å; T114-L149 HydrophobicContact CG2-CD2 3.46Å; T114-L149 VanDerWaalsContact CG2-CD2 3.46Å; K115-L149 HydrophobicContact CG-CD1 4.5Å; I137-L149 HydrophobicContact CD1-CD1 3.79Å; F141-L149 HydrophobicContact CD1-CD1 3.98Å; F141-L149 HydrophobicContact CE1-CD1 3.73Å; L142-L149 HydrophobicContact CD1-CB 3.91Å; L142-L149 HydrophobicContact CD1-CD1 4.08Å; N147-L149 VanDerWaalsContact C-N 3.25Å; N147-L149 HydrophobicContact CB-CD1 4.31Å; N147-L149 HydrophobicContact CB-CG 4.19Å; N147-L149 PolarHBondContact O-N 2.9Å; L149-P151 VanDerWaalsContact C-CD 3.43Å
150L74.3Confident76.3Confident32 Ų3258.5 Ų58.517%0.16832%0.321CS..SBendtrans-126.363.2180-66.1169.7000110.5L142 L143 D152 D153 L155L142-L150 HydrophobicContact CD1-CG 4.49Å; L142-L150 HydrophobicContact CG-CD1 4.39Å; L142-L150 VanDerWaalsContact O-CD1 3.25Å; L142-L150 WeakPolarHBondContact O-CD1 3.49Å; L143-L150 HydrophobicContact CD2-CD1 3.89Å; L150-D152 PolarHBondContact O-N 2.97Å; L150-D153 PolarHBondContact O-N 2.9Å; L150-L155 HydrophobicContact CD2-CB 3.76Å; L150-L155 HydrophobicContact CD2-CD1 3.96Å
151P70.8Confident75.6Confident40 Ų4055.1 Ų55.126%0.2630%0.303SS..G310 helixtrans-60.9128.4173.227.3-33.1000109.5A109 L149 D153 K154A109-P151 HydrophobicContact CB-CB 4.07Å; A109-P151 HydrophobicContact CB-CG 4.41Å; L149-P151 VanDerWaalsContact C-CD 3.43Å; P151-D153 VanDerWaalsContact C-N 3.27Å; P151-D153 PolarHBondContact O-N 2.76Å; P151-K154 WeakPolarHBondContact O-CB 3.23Å; P151-K154 PolarHBondContact O-N 3.27Å; P151-K154 VanDerWaalsContact O-N 3.1Å
152D70.1Confident74.7Confident141 Ų14152.1 Ų52.175%0.75429%0.291SS*.G310 helixtrans54.638.2-175.5-50.8-38.3000113.8L150 K154L150-D152 PolarHBondContact O-N 2.97Å; D152-K154 HydrophobicContact CB-CD 4.5Å; D152-K154 WeakPolarHBondContact O-CG 3.44Å; D152-K154 PolarHBondContact O-N 3.32Å; D152-K154 VanDerWaalsContact O-N 3.12Å
153D67.1Low74.3Confident139 Ų13952.4 Ų52.474%0.74329%0.293SS*.G310 helixtrans58.120-175.7-68.8-28.1000114.6L150 P151L150-D153 PolarHBondContact O-N 2.9Å; P151-D153 VanDerWaalsContact C-N 3.27Å; P151-D153 PolarHBondContact O-N 2.76Å
154K63.3Low73.9Confident109 Ų10950.1 Ų50.147%0.47428%0.283SS..  trans-105.8123.5-177.3-71.1166.7-172.21700112.3L48 P151 D152 T156L48-K154 HydrophobicContact CD2-CB 4.18Å; P151-K154 WeakPolarHBondContact O-CB 3.23Å; P151-K154 PolarHBondContact O-N 3.27Å; P151-K154 VanDerWaalsContact O-N 3.1Å; D152-K154 HydrophobicContact CB-CD 4.5Å; D152-K154 WeakPolarHBondContact O-CG 3.44Å; D152-K154 PolarHBondContact O-N 3.32Å; D152-K154 VanDerWaalsContact O-N 3.12Å; K154-T156 PolarHBondContact O-N 2.99Å
155L72.9Confident72.7Confident0 Ų050.6 Ų50.60%028%0.283CS..EExtended strand (participates in β ladder)trans-81.3117.6169.8-175.664.5000110.2L48 I49 L51 L84 L106 L142 L150 L157L48-L155 WeakPolarHBondContact CA-O 3.5Å; I49-L155 HydrophobicContact CB-CB 4.32Å; I49-L155 HydrophobicContact CB-CD2 4.32Å; I49-L155 PolarHBondContact N-O 2.76Å; I49-L155 WeakPolarHBondContact O-CB 3.06Å; I49-L155 PolarHBondContact O-N 3.41Å; L51-L155 HydrophobicContact CD2-CD2 4.49Å; L84-L155 HydrophobicContact CD2-CD2 3.8Å; L106-L155 HydrophobicContact CD2-CD1 3.36Å; L106-L155 HydrophobicContact CD2-CG 4.24Å; L142-L155 HydrophobicContact CD1-CD1 3.67Å; L142-L155 HydrophobicContact CD2-CD1 4.14Å; L142-L155 HydrophobicContact CD2-CD2 4.45Å; L142-L155 HydrophobicContact CG-CD1 4.42Å; L150-L155 HydrophobicContact CD2-CB 3.76Å; L150-L155 HydrophobicContact CD2-CD1 3.96Å; L155-L157 HydrophobicContact CD2-CD1 4.37Å; L155-L157 HydrophobicContact CD2-CG 4.31Å; L155-L157 HydrophobicContact CG-CG 4.29Å
156T69.1Low71.4Confident19 Ų1947.9 Ų47.912%0.11727%0.274CS..EExtended strand (participates in β ladder)trans-105.7108.4173.5-49.30000110.5M46 F47 L48 L106 L107 K154M46-T156 HydrophobicContact CG-CG2 3.62Å; M46-T156 HydrophobicContact SD-CG2 3.88Å; F47-T156 CarbonylContact O-C 3.54Å; F47-T156 VanDerWaalsContact O-CA 3.29Å; F47-T156 WeakPolarHBondContact O-CA 3.38Å; L48-T156 HydrophobicContact CD2-CG2 4.22Å; L48-T156 WeakPolarHBondContact CD2-OG1 3.49Å; L106-T156 WeakPolarHBondContact CA-O 3.48Å; L107-T156 HydrophobicContact CB-CG2 3.86Å; L107-T156 HydrophobicContact CD1-CG2 3.8Å; L107-T156 HydrophobicContact CG-CG2 4.08Å; L107-T156 PolarHBondContact N-O 3.03Å; K154-T156 PolarHBondContact O-N 2.99Å
157L71.4Confident69.4Low0 Ų047.7 Ų47.70%027%0.267CS..EExtended strand (participates in β ladder)trans-95.5145.2173.3-68.5169.3000110.8M46 F47 I49 L69 V71 L86 S105 L106 F136 L155M46-L157 CarbonylContact C-O 3.57Å; M46-L157 WeakPolarHBondContact CA-O 3.11Å; F47-L157 HydrophobicContact CB-CB 4.19Å; F47-L157 HydrophobicContact CD2-CB 4.33Å; F47-L157 PolarHBondContact N-O 2.91Å; F47-L157 PolarHBondContact O-N 3.33Å; I49-L157 HydrophobicContact CD1-CD1 3.42Å; I49-L157 VanDerWaalsContact CD1-CD1 3.42Å; I49-L157 HydrophobicContact CD1-CG 4.46Å; I49-L157 HydrophobicContact CG1-CD1 4.33Å; L69-L157 HydrophobicContact CD2-CB 4.44Å; L69-L157 HydrophobicContact CD2-CD1 3.75Å; V71-L157 HydrophobicContact CG2-CD1 4Å; L86-L157 HydrophobicContact CD1-CD1 4.02Å; L86-L157 HydrophobicContact CD1-CD2 3.54Å; L86-L157 HydrophobicContact CD1-CG 4.45Å; L86-L157 HydrophobicContact CD2-CD1 3.54Å; L86-L157 HydrophobicContact CD2-CD2 4.45Å; L86-L157 HydrophobicContact CG-CD1 4.46Å; S105-L157 CarbonylContact O-C 3.49Å; S105-L157 WeakPolarHBondContact O-CA 3.18Å; L106-L157 HydrophobicContact CD2-CD2 3.42Å; L106-L157 VanDerWaalsContact CD2-CD2 3.42Å; L106-L157 HydrophobicContact CD2-CG 4.27Å; L106-L157 HydrophobicContact CG-CD2 4.31Å; F136-L157 HydrophobicContact CE1-CD2 4.07Å; L155-L157 HydrophobicContact CD2-CD1 4.37Å; L155-L157 HydrophobicContact CD2-CG 4.31Å; L155-L157 HydrophobicContact CG-CG 4.29Å
158F72.3Confident67.5Low18 Ų1851.1 Ų51.18%0.07929%0.29CS..EExtended strand (participates in β ladder)trans-121.7128.6172.5-170.3-111.1000108.7Y44 S45 M46 F104 S105 L107 E113 E160Y44-F158 AromaticContact CD1-CE1 3.71Å; Y44-F158 HydrophobicContact CD1-CE1 3.71Å; Y44-F158 HydrophobicContact CD1-CE2 4.37Å; Y44-F158 AromaticContact CD1-CZ 3.36Å; Y44-F158 HydrophobicContact CD1-CZ 3.36Å; Y44-F158 HydrophobicContact CE1-CE1 4.28Å; Y44-F158 HydrophobicContact CE1-CZ 4.22Å; Y44-F158 HydrophobicContact CG-CZ 4.03Å; S45-F158 WeakPolarHBondContact O-CA 3.18Å; M46-F158 HydrophobicContact CB-CD2 4.24Å; F104-F158 CarbonylContact C-O 3.59Å; F104-F158 VanDerWaalsContact CA-O 3.31Å; F104-F158 WeakPolarHBondContact CA-O 3.34Å; S105-F158 PolarHBondContact N-O 3.45Å; S105-F158 PolarHBondContact O-N 3.15Å; L107-F158 HydrophobicContact CD1-CB 4.46Å; L107-F158 HydrophobicContact CD2-CB 4.12Å; L107-F158 HydrophobicContact CD2-CG 4.48Å; L107-F158 HydrophobicContact CG-CB 4.12Å; E113-F158 HydrophobicContact CG-CD1 4.1Å; E113-F158 WeakPolarHBondContact OE1-CE1 3.32Å; F158-E160 HydrophobicContact CD1-CG 4.05Å; F158-E160 HydrophobicContact CE1-CG 3.67Å
159C72.6Confident65.7Low3 Ų355.9 Ų55.92%0.0231%0.306CS..EExtended strand (participates in β ladder)trans-118.8128.5176.8-176.20000109.7Y44 S45 F47 K103 F104Y44-C159 WeakPolarHBondContact CA-O 3.49Å; S45-C159 PolarHBondContact N-O 3.18Å; S45-C159 PolarHBondContact O-N 2.76Å; F47-C159 HydrophobicContact CE2-CB 3.61Å; F47-C159 HydrophobicContact CZ-CB 4.29Å; K103-C159 CarbonylContact O-C 3.31Å; K103-C159 VanDerWaalsContact O-CA 3.28Å; K103-C159 WeakPolarHBondContact O-CA 3.39Å; F104-C159 HydrophobicContact CD1-CB 3.87Å; F104-C159 HydrophobicContact CE1-CB 4.01Å; F104-C159 WeakPolarHBondContact CE1-SG 3.41Å
160E73.2Confident64.3Low20 Ų2063.2 Ų63.29%0.09334%0.344CS..EExtended strand (participates in β ladder)trans-107.8135.2167-45.8-177.7-176.300108.8L43 Y44 F102 K103 F158L43-E160 CarbonylContact O-C 3.51Å; L43-E160 VanDerWaalsContact O-CA 3.29Å; L43-E160 WeakPolarHBondContact O-CA 3.4Å; Y44-E160 HydrophobicContact CD1-CB 4.33Å; Y44-E160 HydrophobicContact CD1-CG 3.75Å; Y44-E160 HydrophobicContact CE1-CB 4.3Å; Y44-E160 HydrophobicContact CE1-CG 3.72Å; F102-E160 CarbonylContact C-O 3.51Å; F102-E160 WeakPolarHBondContact CA-O 3.44Å; K103-E160 HydrophobicContact CB-CB 4.17Å; K103-E160 HydrophobicContact CB-CG 4.44Å; K103-E160 HydrophobicContact CD-CG 4.45Å; K103-E160 PolarHBondContact N-O 3Å; K103-E160 IonicContact NZ-OE1 3.79Å; K103-E160 PolarHBondContact NZ-OE1 2.8Å; K103-E160 IonicContact NZ-OE2 3.85Å; K103-E160 PolarHBondContact O-N 3.48Å; F158-E160 HydrophobicContact CD1-CG 4.05Å; F158-E160 HydrophobicContact CE1-CG 3.67Å
161V72.2Confident63.3Low20 Ų2066 Ų6612%0.12137%0.366CS..EExtended strand (participates in β ladder)trans-127.4123.5175.3-174.60000109.2L43 L88 A100 K101 F102L43-V161 HydrophobicContact CB-CB 4.17Å; L43-V161 PolarHBondContact N-O 2.66Å; L43-V161 PolarHBondContact O-N 2.57Å; L88-V161 HydrophobicContact CD1-CG2 4.27Å; L88-V161 HydrophobicContact CD2-CB 4.49Å; L88-V161 HydrophobicContact CD2-CG1 4.03Å; L88-V161 HydrophobicContact CD2-CG2 3.59Å; A100-V161 HydrophobicContact CB-CG1 3.85Å; K101-V161 CarbonylContact O-C 3.51Å; K101-V161 WeakPolarHBondContact O-CA 3.47Å; F102-V161 HydrophobicContact CB-CG2 4.44Å
162S70.3Confident62.5Low9 Ų967.3 Ų67.36%0.06339%0.387CS..EExtended strand (participates in β ladder)trans-109.7105.8178.2-310000109.7F41 W42 A100 K101F41-S162 WeakPolarHBondContact O-CA 3.42Å; W42-S162 WeakPolarHBondContact CZ3-OG 3.42Å; A100-S162 CarbonylContact C-O 3.54Å; A100-S162 VanDerWaalsContact CA-O 3.22Å; A100-S162 WeakPolarHBondContact CA-O 3.42Å; K101-S162 PolarHBondContact N-O 3.22Å; K101-S162 PolarHBondContact O-N 3.24Å
163V72.1Confident61.8Low11 Ų1168.1 Ų68.17%0.06739%0.386CS..EExtended strand (participates in β ladder)trans-80.7124.3-179.5-179.80000109.8F41 L43 L63 V98 A100 Q165F41-V163 PolarHBondContact O-N 3.01Å; L43-V163 HydrophobicContact CD1-CG2 4.45Å; L63-V163 HydrophobicContact CD1-CG1 4.45Å; L63-V163 HydrophobicContact CD1-CG2 4.06Å; V98-V163 HydrophobicContact CG1-CG1 3.79Å; V98-V163 HydrophobicContact CG1-CG2 4.38Å; A100-V163 HydrophobicContact CB-CG2 4.34Å; V163-Q165 HydrophobicContact CG1-CG 4.49Å
164V69.7Low61.2Low47 Ų4766.6 Ų66.629%0.28539%0.387SS..  trans-97.7107.4178.3-173.70000108.7R99 A122R99-V164 HydrophobicContact CB-CB 4.49Å; R99-V164 PolarHBondContact O-N 3.49Å; A122-V164 HydrophobicContact CB-CB 4.37Å; A122-V164 HydrophobicContact CB-CG2 3.8Å
165Q60.6Low60.9Low88 Ų8865.9 Ų65.941%0.41139%0.388SS..  trans-89.6138.9168.9-66.8-175.7-500109.3V163 S167V163-Q165 HydrophobicContact CG1-CG 4.49Å; Q165-S167 PolarHBondContact O-N 3.26Å; Q165-S167 VanDerWaalsContact O-N 3.1Å
166D52.1Low59.9Low125 Ų12575 Ų7567%0.66843%0.433SS*.  trans-67106.2166-72.4-57000107.8R99R99-D166 IonicContact CZ-OD1 3.19Å; R99-D166 IonicContact CZ-OD2 2.78Å; R99-D166 IonicContact NE-OD2 2.99Å; R99-D166 IonicContact NH1-OD1 3.61Å; R99-D166 IonicContact NH1-OD2 2.84Å; R99-D166 IonicContact NH2-OD1 3.38Å; R99-D166 PolarHBondContact NH2-OD1 2.87Å; R99-D166 IonicContact NH2-OD2 2.82Å; R99-D166 PolarHBondContact NH2-OD2 3.41Å
167S44.1Very low59.4Low85 Ų8578.9 Ų78.959%0.59445%0.453SS*.  trans-81.8116.7166.754.70000108.1Q165 N169Q165-S167 PolarHBondContact O-N 3.26Å; Q165-S167 VanDerWaalsContact O-N 3.1Å; S167-N169 PolarHBondContact O-N 2.93Å
168V42.6Very low59.2Low125 Ų12588.1 Ų88.176%0.75850%0.499SS*.  trans-72.4111.3162.5-175.50000106.2I170V168-I170 VanDerWaalsContact C-N 3.33Å; V168-I170 HydrophobicContact CG1-CG1 4.41Å; V168-I170 PolarHBondContact O-N 2.94Å
169N45Very low59.3Low136 Ų13694.1 Ų94.173%0.72753%0.531SS*.  trans-66.398.5167.9-74.5-20.6000107.3S167 S171S167-N169 PolarHBondContact O-N 2.93Å; N169-S171 PolarHBondContact O-N 2.82Å
170I44.1Very low59.7Low160 Ų160103.8 Ų103.882%0.82157%0.572SS**  trans-76.871.2164.3-51.4177000105.7V168 G172V168-I170 VanDerWaalsContact C-N 3.33Å; V168-I170 HydrophobicContact CG1-CG1 4.41Å; V168-I170 PolarHBondContact O-N 2.94Å; I170-G172 PolarHBondContact O-N 2.87Å
171S54.4Low60Low91 Ų91108.7 Ų108.764%0.63660%0.603SS**  trans-66107.6167.653.30000106.5N169 Q173N169-S171 PolarHBondContact O-N 2.82Å; S171-Q173 PolarHBondContact O-N 2.79Å
172G53.8Low60.5Low68 Ų68113.1 Ų113.170%0.70163%0.633SS**  trans-49.212816200000107.7I170 S174I170-G172 PolarHBondContact O-N 2.87Å; G172-S174 PolarHBondContact O-N 3.28Å; G172-S174 VanDerWaalsContact O-N 3.15Å
173Q56.2Low61.2Low157 Ų157120.6 Ų120.673%0.73467%0.666SS**  trans-18.5109.8-175-65.2174.2-8.800113.6S171 N175S171-Q173 PolarHBondContact O-N 2.79Å; Q173-N175 PolarHBondContact O-N 3.24Å; Q173-N175 PolarHBondContact OE1-ND2 2.93Å
174S53.8Low62Low107 Ų107125.3 Ų125.375%0.74870%0.699SS**  trans-72.572.516760.20000108.4G172 M176G172-S174 PolarHBondContact O-N 3.28Å; G172-S174 VanDerWaalsContact O-N 3.15Å; S174-M176 PolarHBondContact O-N 3.4Å
175N56.3Low63.1Low95 Ų95127.5 Ų127.551%0.50871%0.706SS.*  trans-71.5112.1173.9-77.3-19.2000107.5Q173 N177Q173-N175 PolarHBondContact O-N 3.24Å; Q173-N175 PolarHBondContact OE1-ND2 2.93Å; N175-N177 HydrophobicContact CB-CB 4.29Å; N175-N177 PolarHBondContact O-N 2.86Å
176M52.7Low64.6Low190 Ų190128.5 Ų128.594%0.93671%0.713SS**  trans-70.158.1162.4-63.1-153.893.200109.6S174S174-M176 PolarHBondContact O-N 3.4Å
177N59.1Low66.5Low101 Ų101124 Ų12454%0.5469%0.691SS.*  trans-89.7120.8178.3-74.8-3.2000108.7N175 L179N175-N177 HydrophobicContact CB-CB 4.29Å; N175-N177 PolarHBondContact O-N 2.86Å; N177-L179 PolarHBondContact O-N 3.44Å
178M66.6Low68.8Low195 Ų195122.8 Ų122.896%0.96168%0.678SS**SBendtrans-62.4-17.8170.8-70.1-171-73.100112.6
179L74.3Confident71.2Confident143 Ų143121.2 Ų121.275%0.74967%0.666SS**SBendtrans-96.9121.2178.6-59.4176.1000110N177 V181N177-L179 PolarHBondContact O-N 3.44Å; L179-V181 PolarHBondContact O-N 3.41Å
180K79.8Confident73.5Confident207 Ų207117.2 Ų117.290%0.964%0.644SS**  trans-79.6107172.5-65.8-176.4-179.8-177.90109
181V80.1Confident75.8Confident122 Ų122109.8 Ų109.874%0.73961%0.608SS**PPolyproline II helixtrans-77125171.5-177.30000108.1L179L179-V181 PolarHBondContact O-N 3.41Å
182P82.9Confident77.7Confident114 Ų114109.3 Ų109.374%0.7460%0.598SS**PPolyproline II helixtrans-60.6150.9173.4-22.233.6000111.8
183E85.6Confident79.7Confident165 Ų165108.3 Ų108.377%0.77158%0.576SS**PPolyproline II helixtrans-64.7145.2176.2-64.6-174169.700111.4Q185E183-Q185 PolarHBondContact O-N 2.83Å; E183-Q185 PolarHBondContact O-NE2 2.79Å
184C89.2Confident81.5Confident110 Ų110102 Ų10274%0.74355%0.546SS*.PPolyproline II helixtrans-63.4117.6176.9-177.20000110.6
185Q91.4Very high83.4Confident93 Ų93104 Ų10444%0.43554%0.543SS..  trans-93.64.4-178.7-61.1-59.1-65.300113.9E183 S187 D188 D189E183-Q185 PolarHBondContact O-N 2.83Å; E183-Q185 PolarHBondContact O-NE2 2.79Å; Q185-S187 VanDerWaalsContact C-N 3.27Å; Q185-S187 PolarHBondContact O-N 3.08Å; Q185-S187 VanDerWaalsContact O-N 3.13Å; Q185-D188 PolarHBondContact O-N 3.24Å; Q185-D189 PolarHBondContact O-N 2.93Å
186L91.9Very high85.2Confident109 Ų109103.4 Ų103.457%0.57155%0.545SS*.Hα-helixtrans-52.6-42.6-173.4177.263.5000113.5D188 L190L186-D188 VanDerWaalsContact C-N 3.3Å; L186-D188 PolarHBondContact O-N 3.45Å; L186-L190 HydrophobicContact CD1-CD1 4.17Å; L186-L190 HydrophobicContact CD1-CG 4.2Å; L186-L190 HydrophobicContact CG-CD1 4.27Å; L186-L190 WeakPolarHBondContact O-CB 3.1Å; L186-L190 WeakPolarHBondContact O-CG 3.08Å; L186-L190 PolarHBondContact O-N 3.36Å
187S92.4Very high87.1Confident30 Ų3096.8 Ų96.821%0.2152%0.518CS..Hα-helixtrans-58.2-44.8176.9161.60000111.4Q185 G191 T261 K263Q185-S187 VanDerWaalsContact C-N 3.27Å; Q185-S187 PolarHBondContact O-N 3.08Å; Q185-S187 VanDerWaalsContact O-N 3.13Å; S187-G191 PolarHBondContact O-N 2.77Å; S187-T261 WeakPolarHBondContact OG-CB 3.41Å; S187-T261 PolarHBondContact OG-O 2.84Å; S187-K263 WeakPolarHBondContact OG-CE 3.33Å
188D92.3Very high88.6Confident60 Ų6098.9 Ų98.932%0.32152%0.518SS..Hα-helixtrans-79.5-35.5-172.6-55.7-31.6000110Q185 L186 L190 G191 N192 K263Q185-D188 PolarHBondContact O-N 3.24Å; L186-D188 VanDerWaalsContact C-N 3.3Å; L186-D188 PolarHBondContact O-N 3.45Å; D188-L190 PolarHBondContact O-N 3.24Å; D188-G191 PolarHBondContact O-N 3.34Å; D188-N192 VanDerWaalsContact O-CG 3.26Å; D188-N192 PolarHBondContact O-N 2.69Å; D188-N192 PolarHBondContact O-ND2 3.12Å; D188-K263 IonicContact OD1-NZ 3.75Å; D188-K263 PolarHBondContact OD1-NZ 3.02Å; D188-K263 IonicContact OD2-NZ 2.63Å
189D92.9Very high89.9Confident92 Ų9297.5 Ų97.549%0.49251%0.507SS..Hα-helixtrans-61.2-41.5170.7-68.3-29.4000112.4Q185 N192 L193Q185-D189 PolarHBondContact O-N 2.93Å; D189-N192 WeakPolarHBondContact O-CB 3.49Å; D189-N192 PolarHBondContact O-N 3.01Å; D189-L193 PolarHBondContact O-N 3.01Å
190L93.3Very high90.9Very high52 Ų5292.8 Ų92.827%0.27248%0.484SS..Hα-helixtrans-69.6-38173-70.7177.4000111.7L186 D188 N192 L193 W194 I217 Y260L186-L190 HydrophobicContact CD1-CD1 4.17Å; L186-L190 HydrophobicContact CD1-CG 4.2Å; L186-L190 HydrophobicContact CG-CD1 4.27Å; L186-L190 WeakPolarHBondContact O-CB 3.1Å; L186-L190 WeakPolarHBondContact O-CG 3.08Å; L186-L190 PolarHBondContact O-N 3.36Å; D188-L190 PolarHBondContact O-N 3.24Å; L190-N192 VanDerWaalsContact C-N 3.26Å; L190-N192 PolarHBondContact O-N 2.91Å; L190-L193 HydrophobicContact CD2-CD1 3.87Å; L190-L193 WeakPolarHBondContact O-CB 3.27Å; L190-L193 PolarHBondContact O-N 3.03Å; L190-L193 VanDerWaalsContact O-N 3.11Å; L190-W194 PolarHBondContact O-N 2.75Å; L190-I217 HydrophobicContact CD2-CD1 4.2Å; L190-Y260 WeakPolarHBondContact O-CD1 3.47Å
191G93.5Very high91.5Very high5 Ų586.4 Ų86.45%0.05246%0.46CS..Hα-helixtrans-55.8-42.217200000112.2S187 D188 L193 W194 E195S187-G191 PolarHBondContact O-N 2.77Å; D188-G191 PolarHBondContact O-N 3.34Å; G191-L193 VanDerWaalsContact C-N 3.28Å; G191-L193 PolarHBondContact O-N 3.38Å; G191-W194 WeakPolarHBondContact O-CB 3.41Å; G191-W194 PolarHBondContact O-N 2.78Å; G191-W194 VanDerWaalsContact O-N 3.08Å; G191-E195 PolarHBondContact O-N 3.3Å
192N94.6Very high92Very high81 Ų8180.8 Ų80.843%0.43343%0.426SS..Hα-helixtrans-62.3-32.6176.6-69.6-33.5000113D188 D189 L190 W194 C196D188-N192 VanDerWaalsContact O-CG 3.26Å; D188-N192 PolarHBondContact O-N 2.69Å; D188-N192 PolarHBondContact O-ND2 3.12Å; D189-N192 WeakPolarHBondContact O-CB 3.49Å; D189-N192 PolarHBondContact O-N 3.01Å; L190-N192 VanDerWaalsContact C-N 3.26Å; L190-N192 PolarHBondContact O-N 2.91Å; N192-W194 VanDerWaalsContact C-N 3.3Å; N192-W194 PolarHBondContact O-N 3.43Å; N192-C196 VanDerWaalsContact O-CB 3.26Å; N192-C196 WeakPolarHBondContact O-CB 3.46Å; N192-C196 PolarHBondContact O-N 3.29Å
193L94.1Very high92.6Very high46 Ų4676.2 Ų76.224%0.24140%0.397CS..Hα-helixtrans-63.4-39.1174.5-68.1176.8000111.7D189 L190 G191 S197 R198 I217 Y260D189-L193 PolarHBondContact O-N 3.01Å; L190-L193 HydrophobicContact CD2-CD1 3.87Å; L190-L193 WeakPolarHBondContact O-CB 3.27Å; L190-L193 PolarHBondContact O-N 3.03Å; L190-L193 VanDerWaalsContact O-N 3.11Å; G191-L193 VanDerWaalsContact C-N 3.28Å; G191-L193 PolarHBondContact O-N 3.38Å; L193-S197 WeakPolarHBondContact O-CA 3.1Å; L193-S197 PolarHBondContact O-N 3.04Å; L193-S197 VanDerWaalsContact O-N 3.07Å; L193-R198 HydrophobicContact CD2-CB 4.5Å; L193-R198 PolarHBondContact O-N 3.35Å; L193-I217 HydrophobicContact CD1-CD1 4.19Å; L193-Y260 HydrophobicContact CB-CE1 4.42Å
194W94.3Very high92.9Very high26 Ų2668.3 Ų68.310%0.09836%0.36CS..Hα-helixtrans-67.8-53.4175.2168.8-118.6000111.6L190 G191 N192 C196 S197 F211 K212 A213 M256 Y260L190-W194 PolarHBondContact O-N 2.75Å; G191-W194 WeakPolarHBondContact O-CB 3.41Å; G191-W194 PolarHBondContact O-N 2.78Å; G191-W194 VanDerWaalsContact O-N 3.08Å; N192-W194 VanDerWaalsContact C-N 3.3Å; N192-W194 PolarHBondContact O-N 3.43Å; W194-C196 VanDerWaalsContact C-N 3.34Å; W194-C196 PolarHBondContact O-N 3.2Å; W194-S197 PolarHBondContact O-N 2.9Å; W194-F211 HydrophobicContact CH2-CB 3.82Å; W194-F211 AromaticContact CH2-CD1 3.67Å; W194-F211 HydrophobicContact CH2-CD1 3.67Å; W194-F211 HydrophobicContact CH2-CG 4.11Å; W194-F211 HydrophobicContact CZ2-CD1 4.02Å; W194-F211 HydrophobicContact CZ3-CB 4.27Å; W194-K212 VanDerWaalsContact CZ3-O 3.22Å; W194-K212 WeakPolarHBondContact CZ3-O 3.3Å; W194-A213 HydrophobicContact CZ3-CB 4.34Å; W194-M256 HydrophobicContact CD2-CB 4.31Å; W194-M256 HydrophobicContact CE3-CE 4.13Å; W194-M256 HydrophobicContact CH2-CB 3.7Å; W194-M256 HydrophobicContact CH2-CE 3.91Å; W194-M256 HydrophobicContact CH2-CG 3.73Å; W194-M256 HydrophobicContact CZ2-CB 3.37Å; W194-M256 HydrophobicContact CZ2-CG 3.88Å; W194-M256 HydrophobicContact CZ3-CB 4.32Å; W194-M256 HydrophobicContact CZ3-CE 3.63Å; W194-M256 HydrophobicContact CZ3-CG 4.4Å; W194-Y260 HydrophobicContact CB-CD1 3.81Å; W194-Y260 HydrophobicContact CB-CD2 3.69Å; W194-Y260 HydrophobicContact CB-CE1 3.94Å; W194-Y260 HydrophobicContact CB-CE2 3.83Å; W194-Y260 HydrophobicContact CB-CG 3.68Å; W194-Y260 HydrophobicContact CD2-CD2 4.25Å; W194-Y260 AromaticContact CD2-CE2 3.99Å; W194-Y260 HydrophobicContact CD2-CE2 3.99Å; W194-Y260 HydrophobicContact CE3-CD2 4.44Å; W194-Y260 AromaticContact CE3-CE2 3.73Å; W194-Y260 HydrophobicContact CE3-CE2 3.73Å; W194-Y260 AromaticContact CG-CD2 3.96Å; W194-Y260 HydrophobicContact CG-CD2 3.96Å; W194-Y260 HydrophobicContact CG-CE2 4.07Å; W194-Y260 HydrophobicContact CG-CG 4.38Å
195E94.1Very high93.2Very high148 Ų14865.8 Ų65.869%0.69234%0.335SS*.Hα-helixtrans-62.8-40-176-69.1-177.6-178.500112.7G191G191-E195 PolarHBondContact O-N 3.3Å
196C93.9Very high93.4Very high82 Ų8261.3 Ų61.355%0.55431%0.314SS*.THydrogen-bonded Turntrans-91.4-3.9-178.9-64.20000113.7N192 W194 R198N192-C196 VanDerWaalsContact O-CB 3.26Å; N192-C196 WeakPolarHBondContact O-CB 3.46Å; N192-C196 PolarHBondContact O-N 3.29Å; W194-C196 VanDerWaalsContact C-N 3.34Å; W194-C196 PolarHBondContact O-N 3.2Å; C196-R198 HydrophobicContact CB-CG 3.84Å; C196-R198 PolarHBondContact O-N 3.34Å; C196-R198 VanDerWaalsContact O-N 3.14Å
197S93.8Very high93.3Very high52 Ų5259 Ų5936%0.36432%0.317SS..THydrogen-bonded Turntrans51.735.8178.9-64.30000114.8L193 W194 T200L193-S197 WeakPolarHBondContact O-CA 3.1Å; L193-S197 PolarHBondContact O-N 3.04Å; L193-S197 VanDerWaalsContact O-N 3.07Å; W194-S197 PolarHBondContact O-N 2.9Å; S197-T200 WeakPolarHBondContact O-CG2 3.34Å
198R90.9Very high93.1Very high145 Ų14561.5 Ų61.555%0.54735%0.347SS..THydrogen-bonded Turntrans-86.1131.8-174.5-66.1-179.764.7-169.6-0.1111.7L193 C196 T200 H214L193-R198 HydrophobicContact CD2-CB 4.5Å; L193-R198 PolarHBondContact O-N 3.35Å; C196-R198 HydrophobicContact CB-CG 3.84Å; C196-R198 PolarHBondContact O-N 3.34Å; C196-R198 VanDerWaalsContact O-N 3.14Å; R198-T200 VanDerWaalsContact C-N 3.31Å; R198-H214 PolarHBondContact O-NE2 3.35Å
199F93.4Very high93.2Very high165 Ų16562.6 Ų62.672%0.72435%0.35SS*.THydrogen-bonded Turntrans63.931177-46.6-73.1000114.6H214F199-H214 PolarHBondContact O-CD2 3.21Å; F199-H214 VanDerWaalsContact O-CD2 3.24Å
200T94.9Very high93.3Very high45 Ų4562.4 Ų62.428%0.27635%0.347SS..  trans-72.3145.7179.851.50000111.9S197 R198 K212 A213S197-T200 WeakPolarHBondContact O-CG2 3.34Å; R198-T200 VanDerWaalsContact C-N 3.31Å; T200-K212 HydrophobicContact CG2-CB 3.71Å; T200-A213 WeakPolarHBondContact CA-O 3.16Å; T200-A213 VanDerWaalsContact CB-O 3.25Å; T200-A213 WeakPolarHBondContact CB-O 3.45Å
201D92.1Very high93.4Very high72 Ų7260.6 Ų60.639%0.38534%0.337SS..  trans-130.13-174.664.6-4.7000113A213 H214 K215D201-A213 PolarHBondContact N-O 3Å; D201-H214 VanDerWaalsContact OD1-CA 3.22Å; D201-H214 WeakPolarHBondContact OD1-CA 3.13Å; D201-K215 PolarHBondContact OD1-N 3.26Å
202C91.5Very high93.5Very high4 Ų464.1 Ų64.13%0.02735%0.35CS..EExtended strand (participates in β ladder)trans-146.3161169.667.30000113.1A213 K215 F230 N240C202-A213 PolarHBondContact N-O 3.05Å; C202-A213 PolarHBondContact O-N 2.8Å; C202-K215 HydrophobicContact CB-CG 3.78Å; C202-F230 HydrophobicContact CB-CE1 4.49Å; C202-N240 WeakPolarHBondContact CA-O 3.05Å
203S93.9Very high93.5Very high18 Ų1860.2 Ų60.213%0.12633%0.33CS..EExtended strand (participates in β ladder)trans-125.5131.8178-43.60000110.4E210 F211 K212 N240 R241 V242S203-E210 PolarHBondContact OG-OE1 3.17Å; S203-F211 CarbonylContact C-O 3.58Å; S203-F211 WeakPolarHBondContact CA-O 3.38Å; S203-K212 PolarHBondContact OG-NZ 2.77Å; S203-N240 PolarHBondContact N-O 2.92Å; S203-R241 VanDerWaalsContact O-CA 3.31Å; S203-R241 WeakPolarHBondContact O-CA 3.18Å; S203-V242 PolarHBondContact O-N 3.39Å
204L93.4Very high93.5Very high0 Ų058.7 Ų58.70%032%0.321CS..EExtended strand (participates in β ladder)trans-114.6121.6-178.2-49.7172.3000107.6F211 A213 L218 F226 V242 I244 F252 M256L204-F211 HydrophobicContact CB-CB 4.35Å; L204-F211 PolarHBondContact N-O 3.46Å; L204-F211 PolarHBondContact O-N 3.07Å; L204-A213 HydrophobicContact CD1-CB 3.85Å; L204-A213 HydrophobicContact CG-CB 4.39Å; L204-L218 HydrophobicContact CD1-CD1 4Å; L204-F226 HydrophobicContact CD2-CE1 4.42Å; L204-V242 CarbonylContact C-O 3.55Å; L204-V242 WeakPolarHBondContact CA-O 3.32Å; L204-V242 HydrophobicContact CD2-CB 3.62Å; L204-V242 HydrophobicContact CD2-CG1 4.47Å; L204-V242 HydrophobicContact CD2-CG2 3.7Å; L204-I244 HydrophobicContact CB-CD1 4.46Å; L204-F252 HydrophobicContact CB-CE1 4.36Å; L204-F252 HydrophobicContact CB-CZ 4.01Å; L204-F252 HydrophobicContact CD1-CE1 4.31Å; L204-F252 HydrophobicContact CD1-CZ 3.64Å; L204-F252 HydrophobicContact CG-CZ 4.43Å; L204-M256 HydrophobicContact CD1-CE 3.77Å; L204-M256 HydrophobicContact CD1-SD 4.11Å
205Y94.3Very high93.3Very high56 Ų5659.5 Ų59.522%0.2233%0.325CS..EExtended strand (participates in β ladder)trans-104.4116.8-177.8-71.6-91.6000109.8Q209 E210 R241 V242 D243 I244Y205-Q209 CarbonylContact C-O 3.51Å; Y205-Q209 VanDerWaalsContact CA-O 3.29Å; Y205-Q209 WeakPolarHBondContact CA-O 3.29Å; Y205-E210 HydrophobicContact CD1-CB 3.94Å; Y205-E210 HydrophobicContact CD1-CG 4.18Å; Y205-E210 HydrophobicContact CE1-CB 3.61Å; Y205-E210 HydrophobicContact CE1-CG 3.61Å; Y205-E210 WeakPolarHBondContact CE1-OE2 2.83Å; Y205-E210 HydrophobicContact CE2-CG 4.26Å; Y205-E210 VanDerWaalsContact CZ-CD 3.41Å; Y205-E210 PolarHBondContact OH-OE1 3.11Å; Y205-E210 PolarHBondContact OH-OE2 3.23Å; Y205-R241 HydrophobicContact CD2-CG 3.68Å; Y205-R241 HydrophobicContact CE2-CG 3.66Å; Y205-V242 PolarHBondContact N-O 3.33Å; Y205-D243 WeakPolarHBondContact CB-OD1 3.2Å; Y205-I244 PolarHBondContact O-N 2.85Å
206V95.3Very high93.1Very high0 Ų056 Ų560%032%0.317CS..EExtended strand (participates in β ladder)trans-130.4117.8-174.6-165.80000109.6G208 Q209 F211 I244 V247 F252V206-G208 PolarHBondContact O-N 3.34Å; V206-G208 VanDerWaalsContact O-N 3.12Å; V206-Q209 PolarHBondContact N-O 3.04Å; V206-Q209 WeakPolarHBondContact O-CB 3.35Å; V206-Q209 PolarHBondContact O-N 3.35Å; V206-F211 HydrophobicContact CB-CD2 4.26Å; V206-F211 HydrophobicContact CB-CE2 3.93Å; V206-F211 HydrophobicContact CG2-CD2 3.95Å; V206-F211 HydrophobicContact CG2-CE2 4.08Å; V206-I244 WeakPolarHBondContact CA-O 3.46Å; V206-I244 HydrophobicContact CG1-CB 4.47Å; V206-I244 HydrophobicContact CG1-CG2 4.38Å; V206-I244 HydrophobicContact CG2-CB 3.99Å; V206-I244 HydrophobicContact CG2-CD1 4.05Å; V206-I244 HydrophobicContact CG2-CG1 4.47Å; V206-V247 WeakPolarHBondContact CG1-O 3.36Å; V206-F252 HydrophobicContact CB-CD1 4.32Å; V206-F252 HydrophobicContact CB-CG 4.37Å; V206-F252 HydrophobicContact CG1-CB 4.04Å; V206-F252 HydrophobicContact CG1-CG 4.15Å; V206-F252 HydrophobicContact CG2-CB 4.48Å; V206-F252 HydrophobicContact CG2-CD1 3.54Å; V206-F252 HydrophobicContact CG2-CD2 3.97Å; V206-F252 HydrophobicContact CG2-CE1 3.61Å; V206-F252 HydrophobicContact CG2-CE2 4.06Å; V206-F252 HydrophobicContact CG2-CG 3.72Å; V206-F252 HydrophobicContact CG2-CZ 3.87Å
207G90Very high93Very high61 Ų6153.7 Ų53.763%0.62930%0.299SS*.THydrogen-bonded Turntrans55.332179.700000114.3Q209G207-Q209 VanDerWaalsContact C-N 3.31Å; G207-Q209 PolarHBondContact O-N 2.84Å
208G88.9Confident92.9Very high81 Ų8151.2 Ų51.284%0.83528%0.282SS*.THydrogen-bonded Turntrans81.8-0.2-176.100000115.3V206V206-G208 PolarHBondContact O-N 3.34Å; V206-G208 VanDerWaalsContact O-N 3.12Å
209Q93.9Very high92.4Very high84 Ų8445.1 Ų45.139%0.39326%0.263SS..EExtended strand (participates in β ladder)trans-96.5142.4173.4-59.9-178.342.200110.6Y205 V206 G207 F211Y205-Q209 CarbonylContact C-O 3.51Å; Y205-Q209 VanDerWaalsContact CA-O 3.29Å; Y205-Q209 WeakPolarHBondContact CA-O 3.29Å; V206-Q209 PolarHBondContact N-O 3.04Å; V206-Q209 WeakPolarHBondContact O-CB 3.35Å; V206-Q209 PolarHBondContact O-N 3.35Å; G207-Q209 VanDerWaalsContact C-N 3.31Å; G207-Q209 PolarHBondContact O-N 2.84Å; Q209-F211 HydrophobicContact CB-CD2 4.47Å; Q209-F211 HydrophobicContact CB-CE2 3.71Å; Q209-F211 HydrophobicContact CB-CZ 4.18Å
210E95Very high91.2Very high88 Ų8841.2 Ų41.241%0.41126%0.261SS..EExtended strand (participates in β ladder)trans-101.3130.8176.9-174.4176.2167.700111.1S203 Y205 K212S203-E210 PolarHBondContact OG-OE1 3.17Å; Y205-E210 HydrophobicContact CD1-CB 3.94Å; Y205-E210 HydrophobicContact CD1-CG 4.18Å; Y205-E210 HydrophobicContact CE1-CB 3.61Å; Y205-E210 HydrophobicContact CE1-CG 3.61Å; Y205-E210 WeakPolarHBondContact CE1-OE2 2.83Å; Y205-E210 HydrophobicContact CE2-CG 4.26Å; Y205-E210 VanDerWaalsContact CZ-CD 3.41Å; Y205-E210 PolarHBondContact OH-OE1 3.11Å; Y205-E210 PolarHBondContact OH-OE2 3.23Å; E210-K212 WeakPolarHBondContact OE1-CE 3.4Å; E210-K212 IonicContact OE1-NZ 2.98Å; E210-K212 PolarHBondContact OE1-NZ 3.47Å
211F95.7Very high89.3Confident14 Ų1443.3 Ų43.36%0.06128%0.282CS..EExtended strand (participates in β ladder)trans-121.2124.9176.7-62.8-92.8000110.3W194 S203 L204 V206 Q209 P249 F252W194-F211 HydrophobicContact CH2-CB 3.82Å; W194-F211 AromaticContact CH2-CD1 3.67Å; W194-F211 HydrophobicContact CH2-CD1 3.67Å; W194-F211 HydrophobicContact CH2-CG 4.11Å; W194-F211 HydrophobicContact CZ2-CD1 4.02Å; W194-F211 HydrophobicContact CZ3-CB 4.27Å; S203-F211 CarbonylContact C-O 3.58Å; S203-F211 WeakPolarHBondContact CA-O 3.38Å; L204-F211 HydrophobicContact CB-CB 4.35Å; L204-F211 PolarHBondContact N-O 3.46Å; L204-F211 PolarHBondContact O-N 3.07Å; V206-F211 HydrophobicContact CB-CD2 4.26Å; V206-F211 HydrophobicContact CB-CE2 3.93Å; V206-F211 HydrophobicContact CG2-CD2 3.95Å; V206-F211 HydrophobicContact CG2-CE2 4.08Å; Q209-F211 HydrophobicContact CB-CD2 4.47Å; Q209-F211 HydrophobicContact CB-CE2 3.71Å; Q209-F211 HydrophobicContact CB-CZ 4.18Å; F211-P249 HydrophobicContact CZ-CB 4.44Å; F211-F252 HydrophobicContact CB-CE1 4.15Å; F211-F252 HydrophobicContact CD1-CE1 4.48Å; F211-F252 HydrophobicContact CD2-CD1 4.02Å; F211-F252 AromaticContact CD2-CE1 3.93Å; F211-F252 HydrophobicContact CD2-CE1 3.93Å; F211-F252 HydrophobicContact CE2-CD1 4.08Å; F211-F252 HydrophobicContact CE2-CE1 4.46Å; F211-F252 HydrophobicContact CG-CD1 4.24Å; F211-F252 AromaticContact CG-CE1 3.95Å; F211-F252 HydrophobicContact CG-CE1 3.95Å; F211-F252 HydrophobicContact CZ-CD1 4.35Å
212K95.9Very high88.2Confident78 Ų7843.9 Ų43.934%0.33928%0.279SS..EExtended strand (participates in β ladder)trans-87.3136.5176.6-62.2-58.9-161.5-173.10110.5W194 T200 S203 E210W194-K212 VanDerWaalsContact CZ3-O 3.22Å; W194-K212 WeakPolarHBondContact CZ3-O 3.3Å; T200-K212 HydrophobicContact CG2-CB 3.71Å; S203-K212 PolarHBondContact OG-NZ 2.77Å; E210-K212 WeakPolarHBondContact OE1-CE 3.4Å; E210-K212 IonicContact OE1-NZ 2.98Å; E210-K212 PolarHBondContact OE1-NZ 3.47Å
213A94.9Very high88Confident0 Ų043.8 Ų43.80%028%0.278CS..EExtended strand (participates in β ladder)trans-145.8-179.3-176.300000112.8W194 T200 D201 C202 L204 L218 M256W194-A213 HydrophobicContact CZ3-CB 4.34Å; T200-A213 WeakPolarHBondContact CA-O 3.16Å; T200-A213 VanDerWaalsContact CB-O 3.25Å; T200-A213 WeakPolarHBondContact CB-O 3.45Å; D201-A213 PolarHBondContact N-O 3Å; C202-A213 PolarHBondContact N-O 3.05Å; C202-A213 PolarHBondContact O-N 2.8Å; L204-A213 HydrophobicContact CD1-CB 3.85Å; L204-A213 HydrophobicContact CG-CB 4.39Å; A213-L218 HydrophobicContact CB-CD1 3.95Å; A213-M256 HydrophobicContact CB-CE 4Å
214H93.1Very high87.7Confident13 Ų1346.7 Ų46.76%0.0630%0.297CS..  trans-118114.7-178-52.585.4000109.9R198 F199 D201 S216 I217 L218 Y260R198-H214 PolarHBondContact O-NE2 3.35Å; F199-H214 PolarHBondContact O-CD2 3.21Å; F199-H214 VanDerWaalsContact O-CD2 3.24Å; D201-H214 VanDerWaalsContact OD1-CA 3.22Å; D201-H214 WeakPolarHBondContact OD1-CA 3.13Å; H214-S216 PolarHBondContact O-N 2.99Å; H214-I217 HydrophobicContact CB-CB 4.13Å; H214-I217 HydrophobicContact CB-CD1 3.92Å; H214-I217 HydrophobicContact CB-CG1 4.01Å; H214-I217 PolarHBondContact O-N 2.95Å; H214-I217 VanDerWaalsContact O-N 3.08Å; H214-L218 WeakPolarHBondContact O-CG 3.35Å; H214-L218 PolarHBondContact O-N 3.49Å; H214-L218 VanDerWaalsContact O-N 3.08Å; H214-Y260 PolarHBondContact N-OH 2.77Å; H214-Y260 AromaticContact ND1-CE1 3.55Å; H214-Y260 AromaticContact ND1-CZ 3.63Å; H214-Y260 PolarHBondContact ND1-OH 3.48Å
215K90.6Very high87.5Confident44 Ų4448.8 Ų48.819%0.19131%0.31CS..Hα-helixtrans-53.6-43.9178.8-68.4-177.6179.6-169.70111.3D201 C202 I217 L218 A219 F230 N240D201-K215 PolarHBondContact OD1-N 3.26Å; C202-K215 HydrophobicContact CB-CG 3.78Å; K215-I217 VanDerWaalsContact C-N 3.34Å; K215-I217 PolarHBondContact O-N 3.41Å; K215-L218 PolarHBondContact O-N 3.19Å; K215-A219 WeakPolarHBondContact O-CB 3.46Å; K215-A219 PolarHBondContact O-N 2.78Å; K215-F230 HydrophobicContact CB-CD2 4.32Å; K215-F230 HydrophobicContact CB-CG 4.49Å; K215-F230 HydrophobicContact CD-CD1 4.25Å; K215-F230 HydrophobicContact CD-CG 4.42Å; K215-F230 HydrophobicContact CG-CD1 4.15Å; K215-F230 HydrophobicContact CG-CD2 4.31Å; K215-F230 HydrophobicContact CG-CE1 4.22Å; K215-F230 HydrophobicContact CG-CE2 4.39Å; K215-F230 HydrophobicContact CG-CG 4.21Å; K215-F230 HydrophobicContact CG-CZ 4.34Å; K215-N240 VanDerWaalsContact CE-OD1 3.27Å; K215-N240 WeakPolarHBondContact CE-OD1 3.48Å; K215-N240 PolarHBondContact NZ-OD1 2.84Å
216S90Very high87.3Confident75 Ų7546.1 Ų46.152%0.52430%0.299SS..Hα-helixtrans-59.2-41.6179.359.10000112.5H214 A220H214-S216 PolarHBondContact O-N 2.99Å; S216-A220 WeakPolarHBondContact O-CA 3.37Å; S216-A220 WeakPolarHBondContact O-CB 3.31Å; S216-A220 PolarHBondContact O-N 3.47Å
217I92Very high87Confident32 Ų3248.8 Ų48.816%0.16431%0.313CS..Hα-helixtrans-71.9-39.9180-63.9174.5000111L190 L193 H214 K215 I259 Y260L190-I217 HydrophobicContact CD2-CD1 4.2Å; L193-I217 HydrophobicContact CD1-CD1 4.19Å; H214-I217 HydrophobicContact CB-CB 4.13Å; H214-I217 HydrophobicContact CB-CD1 3.92Å; H214-I217 HydrophobicContact CB-CG1 4.01Å; H214-I217 PolarHBondContact O-N 2.95Å; H214-I217 VanDerWaalsContact O-N 3.08Å; K215-I217 VanDerWaalsContact C-N 3.34Å; K215-I217 PolarHBondContact O-N 3.41Å; I217-I259 HydrophobicContact CG2-CG2 4.27Å; I217-Y260 HydrophobicContact CB-CE1 4.3Å; I217-Y260 HydrophobicContact CD1-CD1 3.88Å; I217-Y260 HydrophobicContact CD1-CE1 3.43Å; I217-Y260 VanDerWaalsContact CD1-CE1 3.43Å; I217-Y260 HydrophobicContact CG1-CE1 4.44Å; I217-Y260 HydrophobicContact CG2-CD1 3.96Å; I217-Y260 HydrophobicContact CG2-CE1 3.93Å; I217-Y260 HydrophobicContact CG2-CG 4.31Å
218L90.1Very high86.8Confident0 Ų047.7 Ų47.70%030%0.298CS..Iπ-helixtrans-66.9-43.6177.5-61.9-179.3000112L204 A213 H214 K215 S223 F226 F230 M256 I259L204-L218 HydrophobicContact CD1-CD1 4Å; A213-L218 HydrophobicContact CB-CD1 3.95Å; H214-L218 WeakPolarHBondContact O-CG 3.35Å; H214-L218 PolarHBondContact O-N 3.49Å; H214-L218 VanDerWaalsContact O-N 3.08Å; K215-L218 PolarHBondContact O-N 3.19Å; L218-S223 PolarHBondContact O-N 3.19Å; L218-F226 HydrophobicContact CB-CB 3.94Å; L218-F226 HydrophobicContact CB-CD2 4.29Å; L218-F226 HydrophobicContact CB-CG 4.14Å; L218-F226 HydrophobicContact CD2-CD2 4.28Å; L218-F226 HydrophobicContact CD2-CE2 4.42Å; L218-F230 HydrophobicContact CB-CE2 3.93Å; L218-F230 HydrophobicContact CD1-CE2 3.79Å; L218-F230 HydrophobicContact CD1-CZ 4.07Å; L218-M256 HydrophobicContact CD2-CE 3.63Å; L218-M256 HydrophobicContact CD2-SD 4.13Å; L218-I259 HydrophobicContact CD2-CD1 4.18Å; L218-I259 HydrophobicContact CD2-CG2 3.84Å
219A82.3Confident86.6Confident18 Ų1845.9 Ų45.915%0.14927%0.269CS..Iπ-helixtrans-84-38.9-173.900000113.9K215 A221 N227 F230K215-A219 WeakPolarHBondContact O-CB 3.46Å; K215-A219 PolarHBondContact O-N 2.78Å; A219-A221 VanDerWaalsContact C-N 3.26Å; A219-A221 PolarHBondContact O-N 3.29Å; A219-N227 HydrophobicContact CB-CB 4.23Å; A219-N227 WeakPolarHBondContact O-CB 3.16Å; A219-N227 PolarHBondContact O-OD1 2.9Å; A219-F230 HydrophobicContact CB-CD2 4.4Å
220A66.3Low86.2Confident83 Ų8343 Ų4369%0.68626%0.255SS*.Iπ-helixtrans-64.3-17.9-161.900000116.5S216S216-A220 WeakPolarHBondContact O-CA 3.37Å; S216-A220 WeakPolarHBondContact O-CB 3.31Å; S216-A220 PolarHBondContact O-N 3.47Å
221A56.2Low85.5Confident88 Ų8845.1 Ų45.173%0.72727%0.265SS*.Iπ-helixtrans-178.3-13.7173.800000113.8A219A219-A221 VanDerWaalsContact C-N 3.26Å; A219-A221 PolarHBondContact O-N 3.29Å
222R69.5Low84.3Confident85 Ų8549.4 Ų49.432%0.32129%0.285SS..Iπ-helixtrans-85-35.1-164.9-63.2-58.3-135.41037.1113.1F258 I259 L283R222-F258 PolarHBondContact NH1-O 2.95Å; R222-F258 VanDerWaalsContact NH1-O 3.1Å; R222-F258 PolarHBondContact NH2-O 3.11Å; R222-I259 HydrophobicContact CB-CG2 3.87Å; R222-I259 HydrophobicContact CG-CG2 4.2Å; R222-I259 PolarHBondContact NE-O 3.05Å; R222-I259 PolarHBondContact NH1-O 3.37Å; R222-I259 PolarHBondContact NH2-O 3.2Å; R222-L283 WeakPolarHBondContact O-CD2 3.39Å
223S86.2Confident82.5Confident1 Ų153.5 Ų53.51%0.00731%0.305CS..  trans-139.2111.2176.2175.40000110.8L218 V225 F226 N227 Y281L218-S223 PolarHBondContact O-N 3.19Å; S223-V225 PolarHBondContact O-N 3.06Å; S223-V225 VanDerWaalsContact O-N 3.17Å; S223-V225 PolarHBondContact OG-N 2.61Å; S223-F226 PolarHBondContact O-N 2.93Å; S223-F226 PolarHBondContact OG-N 3.29Å; S223-N227 PolarHBondContact O-N 2.84Å; S223-Y281 WeakPolarHBondContact CB-O 3.11Å; S223-Y281 PolarHBondContact OG-O 3.27Å
224P88.6Confident81.1Confident80 Ų8057.6 Ų57.652%0.51933%0.325SS..Hα-helixtrans-53.6-31.7171.3-27.534.2000113.4N227 A228 A282P224-N227 PolarHBondContact O-N 3.12Å; P224-A228 PolarHBondContact O-N 3.32Å; P224-A282 HydrophobicContact CB-CB 4.45Å; P224-A282 HydrophobicContact CG-CB 4.08Å
225V89.6Confident79.7Confident44 Ų4462.2 Ų62.227%0.26735%0.347SS..Hα-helixtrans-70.2-48.2-179.3175.90000111.1S223 N227 A228 M229 K280 Y281 A282S223-V225 PolarHBondContact O-N 3.06Å; S223-V225 VanDerWaalsContact O-N 3.17Å; S223-V225 PolarHBondContact OG-N 2.61Å; V225-N227 VanDerWaalsContact C-N 3.3Å; V225-N227 PolarHBondContact O-N 3.19Å; V225-A228 PolarHBondContact O-N 3.17Å; V225-M229 HydrophobicContact CG1-CE 3.57Å; V225-M229 HydrophobicContact CG1-SD 4.29Å; V225-M229 VanDerWaalsContact O-CG 3.3Å; V225-M229 WeakPolarHBondContact O-CG 3.44Å; V225-M229 PolarHBondContact O-N 3.08Å; V225-K280 WeakPolarHBondContact CG2-O 3.38Å; V225-Y281 HydrophobicContact CB-CD1 4.41Å; V225-Y281 HydrophobicContact CG1-CD1 4.12Å; V225-A282 HydrophobicContact CG2-CB 4.2Å
226F89.4Confident78.5Confident0 Ų063.3 Ų63.30%035%0.353CS..Hα-helixtrans-64.4-36.5173.4-78-56000112.2L204 L218 S223 M229 F230 I244 M255 I259 Y281L204-F226 HydrophobicContact CD2-CE1 4.42Å; L218-F226 HydrophobicContact CB-CB 3.94Å; L218-F226 HydrophobicContact CB-CD2 4.29Å; L218-F226 HydrophobicContact CB-CG 4.14Å; L218-F226 HydrophobicContact CD2-CD2 4.28Å; L218-F226 HydrophobicContact CD2-CE2 4.42Å; S223-F226 PolarHBondContact O-N 2.93Å; S223-F226 PolarHBondContact OG-N 3.29Å; F226-M229 HydrophobicContact CD1-SD 3.87Å; F226-M229 HydrophobicContact CE1-SD 4.22Å; F226-M229 PolarHBondContact O-N 3.17Å; F226-F230 HydrophobicContact CB-CD2 4.31Å; F226-F230 HydrophobicContact CB-CE2 4.01Å; F226-F230 HydrophobicContact CD1-CE2 4.02Å; F226-F230 HydrophobicContact CD1-CZ 4.28Å; F226-F230 HydrophobicContact CG-CE2 4.34Å; F226-F230 WeakPolarHBondContact O-CD2 3.5Å; F226-F230 WeakPolarHBondContact O-CG 3.44Å; F226-F230 PolarHBondContact O-N 2.86Å; F226-I244 HydrophobicContact CZ-CD1 4.47Å; F226-M255 HydrophobicContact CE2-CE 4.38Å; F226-I259 HydrophobicContact CD2-CD1 4.46Å; F226-I259 HydrophobicContact CE2-CD1 4.13Å; F226-Y281 HydrophobicContact CD1-CE1 4.4Å; F226-Y281 AromaticContact CD2-CD1 3.92Å; F226-Y281 HydrophobicContact CD2-CD1 3.92Å; F226-Y281 HydrophobicContact CD2-CE1 4.41Å; F226-Y281 HydrophobicContact CE1-CD1 4.18Å; F226-Y281 AromaticContact CE1-CE1 3.7Å; F226-Y281 HydrophobicContact CE1-CE1 3.7Å; F226-Y281 AromaticContact CE2-CD1 3.45Å; F226-Y281 HydrophobicContact CE2-CD1 3.45Å; F226-Y281 VanDerWaalsContact CE2-CD1 3.45Å; F226-Y281 AromaticContact CE2-CE1 3.71Å; F226-Y281 HydrophobicContact CE2-CE1 3.71Å; F226-Y281 HydrophobicContact CE2-CG 4.24Å; F226-Y281 HydrophobicContact CG-CD1 4.44Å; F226-Y281 AromaticContact CZ-CD1 3.6Å; F226-Y281 HydrophobicContact CZ-CD1 3.6Å; F226-Y281 AromaticContact CZ-CE1 3.3Å; F226-Y281 HydrophobicContact CZ-CE1 3.3Å
227N88.3Confident77.3Confident55 Ų5560.8 Ų60.829%0.29434%0.335SS..Hα-helixtrans-57.3-51.5174.3-172.861.6000111.1A219 S223 P224 V225 M229 F230 E231A219-N227 HydrophobicContact CB-CB 4.23Å; A219-N227 WeakPolarHBondContact O-CB 3.16Å; A219-N227 PolarHBondContact O-OD1 2.9Å; S223-N227 PolarHBondContact O-N 2.84Å; P224-N227 PolarHBondContact O-N 3.12Å; V225-N227 VanDerWaalsContact C-N 3.3Å; V225-N227 PolarHBondContact O-N 3.19Å; N227-M229 VanDerWaalsContact C-N 3.32Å; N227-M229 PolarHBondContact O-N 2.98Å; N227-F230 PolarHBondContact O-N 3.49Å; N227-E231 PolarHBondContact ND2-OE2 2.89Å; N227-E231 WeakPolarHBondContact O-CB 3.42Å; N227-E231 PolarHBondContact O-N 2.85Å
228A86.3Confident76.2Confident38 Ų3865.5 Ų65.531%0.31436%0.355SS..Hα-helixtrans-61.6-37.6177.900000113P224 V225 F230 H232P224-A228 PolarHBondContact O-N 3.32Å; V225-A228 PolarHBondContact O-N 3.17Å; A228-F230 VanDerWaalsContact C-N 3.32Å; A228-F230 PolarHBondContact O-N 3.47Å; A228-H232 PolarHBondContact O-CD2 2.89Å; A228-H232 VanDerWaalsContact O-CD2 3.22Å; A228-H232 PolarHBondContact O-N 3.1Å
229M85.6Confident75.6Confident44 Ų4472 Ų7222%0.21738%0.383CS..Hα-helixtrans-62.5-36.8176.1-73.7173.1179.400112.7V225 F226 N227 V242V225-M229 HydrophobicContact CG1-CE 3.57Å; V225-M229 HydrophobicContact CG1-SD 4.29Å; V225-M229 VanDerWaalsContact O-CG 3.3Å; V225-M229 WeakPolarHBondContact O-CG 3.44Å; V225-M229 PolarHBondContact O-N 3.08Å; F226-M229 HydrophobicContact CD1-SD 3.87Å; F226-M229 HydrophobicContact CE1-SD 4.22Å; F226-M229 PolarHBondContact O-N 3.17Å; N227-M229 VanDerWaalsContact C-N 3.32Å; N227-M229 PolarHBondContact O-N 2.98Å; M229-V242 HydrophobicContact SD-CG1 4.35Å
230F83.8Confident75.6Confident24 Ų2474.4 Ų74.411%0.10539%0.393CS..Hα-helixtrans-93.6-25.8-176.9-62.8-48.9000114.3C202 K215 L218 A219 F226 N227 A228 V242C202-F230 HydrophobicContact CB-CE1 4.49Å; K215-F230 HydrophobicContact CB-CD2 4.32Å; K215-F230 HydrophobicContact CB-CG 4.49Å; K215-F230 HydrophobicContact CD-CD1 4.25Å; K215-F230 HydrophobicContact CD-CG 4.42Å; K215-F230 HydrophobicContact CG-CD1 4.15Å; K215-F230 HydrophobicContact CG-CD2 4.31Å; K215-F230 HydrophobicContact CG-CE1 4.22Å; K215-F230 HydrophobicContact CG-CE2 4.39Å; K215-F230 HydrophobicContact CG-CG 4.21Å; K215-F230 HydrophobicContact CG-CZ 4.34Å; L218-F230 HydrophobicContact CB-CE2 3.93Å; L218-F230 HydrophobicContact CD1-CE2 3.79Å; L218-F230 HydrophobicContact CD1-CZ 4.07Å; A219-F230 HydrophobicContact CB-CD2 4.4Å; F226-F230 HydrophobicContact CB-CD2 4.31Å; F226-F230 HydrophobicContact CB-CE2 4.01Å; F226-F230 HydrophobicContact CD1-CE2 4.02Å; F226-F230 HydrophobicContact CD1-CZ 4.28Å; F226-F230 HydrophobicContact CG-CE2 4.34Å; F226-F230 WeakPolarHBondContact O-CD2 3.5Å; F226-F230 WeakPolarHBondContact O-CG 3.44Å; F226-F230 PolarHBondContact O-N 2.86Å; N227-F230 PolarHBondContact O-N 3.49Å; A228-F230 VanDerWaalsContact C-N 3.32Å; A228-F230 PolarHBondContact O-N 3.47Å; F230-V242 HydrophobicContact CE1-CG2 3.74Å; F230-V242 HydrophobicContact CZ-CG2 4Å
231E80.2Confident76.6Confident131 Ų13175.4 Ų75.461%0.61238%0.379SS*.Hα-helixtrans-77.3-32.1-178.5-174.2164.2-168.400112.4N227N227-E231 PolarHBondContact ND2-OE2 2.89Å; N227-E231 WeakPolarHBondContact O-CB 3.42Å; N227-E231 PolarHBondContact O-N 2.85Å
232H70.8Confident78.2Confident104 Ų10471.5 Ų71.548%0.48135%0.346SS..SBendtrans-89.3145.7177.2-62.1-47.5000111.8A228 M234 S237A228-H232 PolarHBondContact O-CD2 2.89Å; A228-H232 VanDerWaalsContact O-CD2 3.22Å; A228-H232 PolarHBondContact O-N 3.1Å; H232-M234 HydrophobicContact CB-CE 3.91Å; H232-M234 HydrophobicContact CB-CG 4.09Å; H232-M234 PolarHBondContact O-N 3.31Å; H232-S237 WeakPolarHBondContact O-CB 3.15Å; H232-S237 PolarHBondContact O-OG 3.29Å
233E59.1Low79.2Confident164 Ų16472.3 Ų72.377%0.76636%0.357SS*.  trans-71.645.9177.8-66.4-170.7169.900113.6S237 K238E233-S237 WeakPolarHBondContact CA-OG 3.43Å; E233-K238 WeakPolarHBondContact O-CE 3.49Å
234M65.2Low79.4Confident87 Ų8772.5 Ų72.543%0.42936%0.358SS..SBendtrans-74.7167.8171.8-56.3-160.1-114.700110.9H232 E236 S237 K238H232-M234 HydrophobicContact CB-CE 3.91Å; H232-M234 HydrophobicContact CB-CG 4.09Å; H232-M234 PolarHBondContact O-N 3.31Å; M234-E236 WeakPolarHBondContact CB-OE2 3.45Å; M234-E236 PolarHBondContact O-N 2.82Å; M234-E236 VanDerWaalsContact O-N 3.14Å; M234-S237 PolarHBondContact N-OG 3.46Å; M234-S237 PolarHBondContact O-N 3.39Å; M234-S237 VanDerWaalsContact O-N 3.14Å; M234-S237 PolarHBondContact O-OG 3.04Å; M234-K238 PolarHBondContact O-N 3.1Å
235E63Low79.5Confident110 Ų11074.4 Ų74.451%0.51437%0.373SS..Hα-helixtrans-56.7-30.9-178.4-78.3-73.313700112.2K238 K239E235-K238 PolarHBondContact O-N 2.74Å; E235-K239 WeakPolarHBondContact O-CB 3.45Å; E235-K239 PolarHBondContact O-N 3.01Å; E235-K239 WeakPolarHBondContact OE2-CE 3.37Å; E235-K239 IonicContact OE2-NZ 2.62Å; E235-K239 PolarHBondContact OE2-NZ 2.96Å
236E65.9Low79.3Confident66 Ų6676.9 Ų76.931%0.30838%0.384SS..Hα-helixtrans-65.6-41178.7-61.184.417900112.8M234 N240 R241 V242M234-E236 WeakPolarHBondContact CB-OE2 3.45Å; M234-E236 PolarHBondContact O-N 2.82Å; M234-E236 VanDerWaalsContact O-N 3.14Å; E236-N240 WeakPolarHBondContact O-CA 3.49Å; E236-N240 PolarHBondContact O-N 3.35Å; E236-R241 VanDerWaalsContact CA-O 3.3Å; E236-R241 WeakPolarHBondContact CA-O 3.4Å; E236-R241 WeakPolarHBondContact CB-O 3.49Å; E236-R241 PolarHBondContact O-N 3.44Å; E236-V242 HydrophobicContact CB-CG2 4.2Å; E236-V242 HydrophobicContact CG-CG2 4.38Å
237S66Low79.5Confident22 Ų2277.6 Ų77.615%0.15439%0.389CS..Hα-helixtrans-72.5-31.4179.264.80000111.8H232 E233 M234 N240H232-S237 WeakPolarHBondContact O-CB 3.15Å; H232-S237 PolarHBondContact O-OG 3.29Å; E233-S237 WeakPolarHBondContact CA-OG 3.43Å; M234-S237 PolarHBondContact N-OG 3.46Å; M234-S237 PolarHBondContact O-N 3.39Å; M234-S237 VanDerWaalsContact O-N 3.14Å; M234-S237 PolarHBondContact O-OG 3.04Å; S237-N240 PolarHBondContact O-OD1 3.44Å
238K68Low79.9Confident132 Ų13279.3 Ų79.357%0.57440%0.398SS*.Hα-helixtrans-75-35.4176.6-64.6-180-175171.40113.2E233 M234 E235E233-K238 WeakPolarHBondContact O-CE 3.49Å; M234-K238 PolarHBondContact O-N 3.1Å; E235-K238 PolarHBondContact O-N 2.74Å
239K77.2Confident80.3Confident136 Ų13678.3 Ų78.359%0.59139%0.388SS*.Hα-helixtrans-95.4-6.4-178.1-69.1174.8175.1156.90114E235 R241E235-K239 WeakPolarHBondContact O-CB 3.45Å; E235-K239 PolarHBondContact O-N 3.01Å; E235-K239 WeakPolarHBondContact OE2-CE 3.37Å; E235-K239 IonicContact OE2-NZ 2.62Å; E235-K239 PolarHBondContact OE2-NZ 2.96Å; K239-R241 HydrophobicContact CB-CB 4.05Å; K239-R241 PolarHBondContact O-N 3.28Å; K239-R241 VanDerWaalsContact O-N 3.15Å
240N83.4Confident80.9Confident68 Ų6880.7 Ų80.736%0.36440%0.402SS..THydrogen-bonded Turntrans51.232.4-171-60.2-27.8000112.4C202 S203 K215 E236 S237C202-N240 WeakPolarHBondContact CA-O 3.05Å; S203-N240 PolarHBondContact N-O 2.92Å; K215-N240 VanDerWaalsContact CE-OD1 3.27Å; K215-N240 WeakPolarHBondContact CE-OD1 3.48Å; K215-N240 PolarHBondContact NZ-OD1 2.84Å; E236-N240 WeakPolarHBondContact O-CA 3.49Å; E236-N240 PolarHBondContact O-N 3.35Å; S237-N240 PolarHBondContact O-OD1 3.44Å
241R87.4Confident81.5Confident105 Ų10580 Ų8040%0.39640%0.399SS..EExtended strand (participates in β ladder)trans-135.1127.1-171.1171.8171.6172.6157.77.2109.2S203 Y205 E236 K239 D243S203-R241 VanDerWaalsContact O-CA 3.31Å; S203-R241 WeakPolarHBondContact O-CA 3.18Å; Y205-R241 HydrophobicContact CD2-CG 3.68Å; Y205-R241 HydrophobicContact CE2-CG 3.66Å; E236-R241 VanDerWaalsContact CA-O 3.3Å; E236-R241 WeakPolarHBondContact CA-O 3.4Å; E236-R241 WeakPolarHBondContact CB-O 3.49Å; E236-R241 PolarHBondContact O-N 3.44Å; K239-R241 HydrophobicContact CB-CB 4.05Å; K239-R241 PolarHBondContact O-N 3.28Å; K239-R241 VanDerWaalsContact O-N 3.15Å; R241-D243 IonicContact CZ-OD1 2.67Å; R241-D243 IonicContact CZ-OD2 3.79Å; R241-D243 IonicContact NE-OD1 3.47Å; R241-D243 PolarHBondContact NE-OD1 3.45Å; R241-D243 IonicContact NE-OD2 2.65Å; R241-D243 PolarHBondContact NE-OD2 2.89Å; R241-D243 IonicContact NH2-OD1 3.63Å; R241-D243 PolarHBondContact NH2-OD1 3.2Å; R241-D243 IonicContact NH2-OD2 2.7Å; R241-D243 PolarHBondContact NH2-OD2 3.26Å
242V88.4Confident82.3Confident5 Ų573.7 Ų73.73%0.0337%0.37CS..EExtended strand (participates in β ladder)trans-121.7124.1174-172.60000108.2S203 L204 Y205 M229 F230 E236 I244S203-V242 PolarHBondContact O-N 3.39Å; L204-V242 CarbonylContact C-O 3.55Å; L204-V242 WeakPolarHBondContact CA-O 3.32Å; L204-V242 HydrophobicContact CD2-CB 3.62Å; L204-V242 HydrophobicContact CD2-CG1 4.47Å; L204-V242 HydrophobicContact CD2-CG2 3.7Å; Y205-V242 PolarHBondContact N-O 3.33Å; M229-V242 HydrophobicContact SD-CG1 4.35Å; F230-V242 HydrophobicContact CE1-CG2 3.74Å; F230-V242 HydrophobicContact CZ-CG2 4Å; E236-V242 HydrophobicContact CB-CG2 4.2Å; E236-V242 HydrophobicContact CG-CG2 4.38Å; V242-I244 HydrophobicContact CG1-CG1 4.08Å
243D90.3Very high83.5Confident102 Ų10274 Ų7455%0.54537%0.367SS..EExtended strand (participates in β ladder)trans-96.8124.4174.4-70.7-74.2000109.3Y205 R241Y205-D243 WeakPolarHBondContact CB-OD1 3.2Å; R241-D243 IonicContact CZ-OD1 2.67Å; R241-D243 IonicContact CZ-OD2 3.79Å; R241-D243 IonicContact NE-OD1 3.47Å; R241-D243 PolarHBondContact NE-OD1 3.45Å; R241-D243 IonicContact NE-OD2 2.65Å; R241-D243 PolarHBondContact NE-OD2 2.89Å; R241-D243 IonicContact NH2-OD1 3.63Å; R241-D243 PolarHBondContact NH2-OD1 3.2Å; R241-D243 IonicContact NH2-OD2 2.7Å; R241-D243 PolarHBondContact NH2-OD2 3.26Å
244I90.9Very high85.3Confident6 Ų667 Ų673%0.03133%0.334CS..EExtended strand (participates in β ladder)trans-120.7109.2-177.2-55.8170.1000107.6L204 Y205 V206 F226 V242 V247 F252 Y281L204-I244 HydrophobicContact CB-CD1 4.46Å; Y205-I244 PolarHBondContact O-N 2.85Å; V206-I244 WeakPolarHBondContact CA-O 3.46Å; V206-I244 HydrophobicContact CG1-CB 4.47Å; V206-I244 HydrophobicContact CG1-CG2 4.38Å; V206-I244 HydrophobicContact CG2-CB 3.99Å; V206-I244 HydrophobicContact CG2-CD1 4.05Å; V206-I244 HydrophobicContact CG2-CG1 4.47Å; F226-I244 HydrophobicContact CZ-CD1 4.47Å; V242-I244 HydrophobicContact CG1-CG1 4.08Å; I244-V247 HydrophobicContact CG2-CB 4.06Å; I244-V247 HydrophobicContact CG2-CG2 3.9Å; I244-F252 HydrophobicContact CD1-CD2 4.12Å; I244-F252 HydrophobicContact CD1-CE2 3.33Å; I244-F252 HydrophobicContact CD1-CZ 3.77Å; I244-Y281 WeakPolarHBondContact CD1-OH 3.44Å; I244-Y281 WeakPolarHBondContact CG2-OH 3.46Å
245S89.9Confident86.8Confident119 Ų11962.8 Ų62.883%0.83231%0.314SS*.  trans-102.1-12.3-172.952.60000114.5
246D86.8Confident88.3Confident96 Ų9657.6 Ų57.651%0.51329%0.289SS..SBendtrans-116.613.4-166.564.8-29.6000113.9K280D246-K280 IonicContact OD1-NZ 3.35Å; D246-K280 PolarHBondContact OD1-NZ 3.35Å; D246-K280 WeakPolarHBondContact OD2-CD 3.28Å; D246-K280 WeakPolarHBondContact OD2-CE 3.43Å; D246-K280 IonicContact OD2-NZ 2.8Å; D246-K280 PolarHBondContact OD2-NZ 3.42Å
247V94.1Very high89.7Confident16 Ų1655.2 Ų55.210%0.09728%0.283CS..SBendtrans-126132.7173.4-172.10000108.8V206 I244 V251 F252 A277 Y281V206-V247 WeakPolarHBondContact CG1-O 3.36Å; I244-V247 HydrophobicContact CG2-CB 4.06Å; I244-V247 HydrophobicContact CG2-CG2 3.9Å; V247-V251 HydrophobicContact CG1-CB 4.12Å; V247-V251 HydrophobicContact CG1-CG1 4.05Å; V247-F252 HydrophobicContact CG1-CB 3.87Å; V247-F252 HydrophobicContact CG1-CD2 4.47Å; V247-A277 HydrophobicContact CG1-CB 4.3Å; V247-Y281 HydrophobicContact CG2-CE2 4.12Å
248D95.1Very high91.1Very high90 Ų9054.5 Ų54.548%0.48128%0.277SS..  trans-63.5139.2172.9-179-85.6000110.7D250 V251 F252D248-D250 PolarHBondContact O-N 3.16Å; D248-D250 WeakPolarHBondContact OD1-CB 3.39Å; D248-D250 PolarHBondContact OD1-N 3.22Å; D248-V251 HydrophobicContact CB-CB 4.3Å; D248-V251 HydrophobicContact CB-CG2 4Å; D248-V251 PolarHBondContact O-N 3.32Å; D248-F252 WeakPolarHBondContact O-CB 3.4Å; D248-F252 PolarHBondContact O-N 3.01Å
249P96.2Very high92.4Very high17 Ų1748.2 Ų48.211%0.1125%0.25CC..Hα-helixtrans-55.3-33.3-177.9-2836.1000115.2F211 R253F211-P249 HydrophobicContact CZ-CB 4.44Å; P249-R253 WeakPolarHBondContact O-CB 3.42Å; P249-R253 PolarHBondContact O-N 2.99Å
250D96.4Very high93.2Very high95 Ų9541.9 Ų41.951%0.50822%0.222SC..Hα-helixtrans-76-40.2179.8-70.9-25000111.4D248 F252 R253 E254D248-D250 PolarHBondContact O-N 3.16Å; D248-D250 WeakPolarHBondContact OD1-CB 3.39Å; D248-D250 PolarHBondContact OD1-N 3.22Å; D250-F252 VanDerWaalsContact C-N 3.31Å; D250-F252 PolarHBondContact O-N 3.45Å; D250-R253 WeakPolarHBondContact O-CB 3.29Å; D250-R253 PolarHBondContact O-N 3.46Å; D250-E254 PolarHBondContact O-N 3.47Å; D250-E254 VanDerWaalsContact O-N 3.08Å
251V97.1Very high93.7Very high8 Ų840.1 Ų40.15%0.04821%0.214CC..Hα-helixtrans-62.9-41.8172.7179.10000110.4V247 D248 E254 M255 M270 N273 L274 A277V247-V251 HydrophobicContact CG1-CB 4.12Å; V247-V251 HydrophobicContact CG1-CG1 4.05Å; D248-V251 HydrophobicContact CB-CB 4.3Å; D248-V251 HydrophobicContact CB-CG2 4Å; D248-V251 PolarHBondContact O-N 3.32Å; V251-E254 PolarHBondContact O-N 2.85Å; V251-M255 WeakPolarHBondContact O-CB 3.39Å; V251-M255 PolarHBondContact O-N 2.91Å; V251-M270 HydrophobicContact CB-SD 4.48Å; V251-M270 HydrophobicContact CG2-CB 4.44Å; V251-M270 HydrophobicContact CG2-SD 4.15Å; V251-N273 HydrophobicContact CG1-CB 4.14Å; V251-N273 HydrophobicContact CG2-CB 3.66Å; V251-L274 HydrophobicContact CG1-CB 4.37Å; V251-L274 HydrophobicContact CG1-CD1 4.01Å; V251-A277 HydrophobicContact CG1-CB 4.09Å
252F96.4Very high93.9Very high0 Ų035.8 Ų35.80%020%0.202CC..Hα-helixtrans-62-44.1176.2-176.5-100.8000111.6L204 V206 F211 I244 V247 D248 D250 E254 M255 M256L204-F252 HydrophobicContact CB-CE1 4.36Å; L204-F252 HydrophobicContact CB-CZ 4.01Å; L204-F252 HydrophobicContact CD1-CE1 4.31Å; L204-F252 HydrophobicContact CD1-CZ 3.64Å; L204-F252 HydrophobicContact CG-CZ 4.43Å; V206-F252 HydrophobicContact CB-CD1 4.32Å; V206-F252 HydrophobicContact CB-CG 4.37Å; V206-F252 HydrophobicContact CG1-CB 4.04Å; V206-F252 HydrophobicContact CG1-CG 4.15Å; V206-F252 HydrophobicContact CG2-CB 4.48Å; V206-F252 HydrophobicContact CG2-CD1 3.54Å; V206-F252 HydrophobicContact CG2-CD2 3.97Å; V206-F252 HydrophobicContact CG2-CE1 3.61Å; V206-F252 HydrophobicContact CG2-CE2 4.06Å; V206-F252 HydrophobicContact CG2-CG 3.72Å; V206-F252 HydrophobicContact CG2-CZ 3.87Å; F211-F252 HydrophobicContact CB-CE1 4.15Å; F211-F252 HydrophobicContact CD1-CE1 4.48Å; F211-F252 HydrophobicContact CD2-CD1 4.02Å; F211-F252 AromaticContact CD2-CE1 3.93Å; F211-F252 HydrophobicContact CD2-CE1 3.93Å; F211-F252 HydrophobicContact CE2-CD1 4.08Å; F211-F252 HydrophobicContact CE2-CE1 4.46Å; F211-F252 HydrophobicContact CG-CD1 4.24Å; F211-F252 AromaticContact CG-CE1 3.95Å; F211-F252 HydrophobicContact CG-CE1 3.95Å; F211-F252 HydrophobicContact CZ-CD1 4.35Å; I244-F252 HydrophobicContact CD1-CD2 4.12Å; I244-F252 HydrophobicContact CD1-CE2 3.33Å; I244-F252 HydrophobicContact CD1-CZ 3.77Å; V247-F252 HydrophobicContact CG1-CB 3.87Å; V247-F252 HydrophobicContact CG1-CD2 4.47Å; D248-F252 WeakPolarHBondContact O-CB 3.4Å; D248-F252 PolarHBondContact O-N 3.01Å; D250-F252 VanDerWaalsContact C-N 3.31Å; D250-F252 PolarHBondContact O-N 3.45Å; F252-E254 VanDerWaalsContact C-N 3.31Å; F252-E254 PolarHBondContact O-N 3.4Å; F252-M255 HydrophobicContact CD2-CE 3.53Å; F252-M255 HydrophobicContact CE2-CE 3.51Å; F252-M255 WeakPolarHBondContact O-CB 3.43Å; F252-M255 PolarHBondContact O-N 3.25Å; F252-M256 HydrophobicContact CD1-CG 3.91Å; F252-M256 HydrophobicContact CE1-CG 3.49Å; F252-M256 VanDerWaalsContact CE1-CG 3.49Å; F252-M256 HydrophobicContact CE1-SD 4.09Å; F252-M256 HydrophobicContact CE2-CG 4.12Å; F252-M256 HydrophobicContact CE2-SD 4.06Å; F252-M256 HydrophobicContact CG-CG 4.41Å; F252-M256 HydrophobicContact CZ-CG 3.61Å; F252-M256 HydrophobicContact CZ-SD 3.6Å; F252-M256 WeakPolarHBondContact O-CB 3.27Å; F252-M256 VanDerWaalsContact O-CG 3.23Å; F252-M256 WeakPolarHBondContact O-CG 3.19Å; F252-M256 PolarHBondContact O-N 2.89Å
253R96.2Very high94Very high109 Ų10940.6 Ų40.641%0.41122%0.222SC..Hα-helixtrans-59.2-43.2176.8-172.1-172.1-52.6-75.1-6.8111.8P249 D250 M256 G257P249-R253 WeakPolarHBondContact O-CB 3.42Å; P249-R253 PolarHBondContact O-N 2.99Å; D250-R253 WeakPolarHBondContact O-CB 3.29Å; D250-R253 PolarHBondContact O-N 3.46Å; R253-M256 PolarHBondContact O-N 3.38Å; R253-G257 PolarHBondContact O-N 2.95Å
254E97.2Very high94.3Very high17 Ų1736.4 Ų36.48%0.07920%0.202CC..Hα-helixtrans-65.5-44177.5-165.868.3-161.500111.4D250 V251 F252 M256 G257 F258 A264 P265 N266 M270 L274D250-E254 PolarHBondContact O-N 3.47Å; D250-E254 VanDerWaalsContact O-N 3.08Å; V251-E254 PolarHBondContact O-N 2.85Å; F252-E254 VanDerWaalsContact C-N 3.31Å; F252-E254 PolarHBondContact O-N 3.4Å; E254-M256 VanDerWaalsContact C-N 3.35Å; E254-M256 PolarHBondContact O-N 3.46Å; E254-G257 PolarHBondContact O-N 3.02Å; E254-F258 PolarHBondContact O-N 2.93Å; E254-A264 HydrophobicContact CG-CB 4.37Å; E254-A264 WeakPolarHBondContact OE1-CA 3.48Å; E254-P265 WeakPolarHBondContact OE1-CD 3.48Å; E254-N266 PolarHBondContact OE1-N 3.37Å; E254-N266 WeakPolarHBondContact OE2-CB 3.1Å; E254-N266 PolarHBondContact OE2-ND2 3.41Å; E254-M270 HydrophobicContact CB-SD 3.73Å; E254-M270 HydrophobicContact CG-SD 3.96Å; E254-L274 HydrophobicContact CB-CD1 4.37Å; E254-L274 HydrophobicContact CG-CD1 4.5Å; E254-L274 HydrophobicContact CG-CD2 3.98Å
255M96.1Very high94.4Very high0 Ų041.5 Ų41.50%024%0.235CC..Hα-helixtrans-58.6-44.7174.1-175.4-17373.100111.8F226 V251 F252 F258 I259 L274 A277 Y281 L283 L286F226-M255 HydrophobicContact CE2-CE 4.38Å; V251-M255 WeakPolarHBondContact O-CB 3.39Å; V251-M255 PolarHBondContact O-N 2.91Å; F252-M255 HydrophobicContact CD2-CE 3.53Å; F252-M255 HydrophobicContact CE2-CE 3.51Å; F252-M255 WeakPolarHBondContact O-CB 3.43Å; F252-M255 PolarHBondContact O-N 3.25Å; M255-F258 WeakPolarHBondContact O-CB 3.22Å; M255-F258 PolarHBondContact O-N 3.39Å; M255-I259 HydrophobicContact CG-CD1 4.42Å; M255-I259 WeakPolarHBondContact O-CG1 3.43Å; M255-I259 PolarHBondContact O-N 3.04Å; M255-L274 HydrophobicContact CB-CD1 4.02Å; M255-A277 HydrophobicContact SD-CB 3.97Å; M255-Y281 HydrophobicContact CE-CD2 3.81Å; M255-Y281 HydrophobicContact CE-CE2 3.94Å; M255-Y281 HydrophobicContact CE-CG 4.2Å; M255-Y281 HydrophobicContact SD-CD2 3.47Å; M255-Y281 WeakPolarHBondContact SD-CD2 3.43Å; M255-Y281 HydrophobicContact SD-CE2 4.08Å; M255-Y281 HydrophobicContact SD-CG 3.98Å; M255-L283 HydrophobicContact CG-CD1 3.4Å; M255-L283 HydrophobicContact SD-CD1 3.88Å; M255-L286 HydrophobicContact CG-CD2 4.31Å
256M95.3Very high94.6Very high0 Ų038.7 Ų38.70%021%0.211CC..Hα-helixtrans-64.9-43.4176.6-67.5-62.1-65.300111.1W194 L204 A213 L218 F252 R253 E254 F258 I259 Y260W194-M256 HydrophobicContact CD2-CB 4.31Å; W194-M256 HydrophobicContact CE3-CE 4.13Å; W194-M256 HydrophobicContact CH2-CB 3.7Å; W194-M256 HydrophobicContact CH2-CE 3.91Å; W194-M256 HydrophobicContact CH2-CG 3.73Å; W194-M256 HydrophobicContact CZ2-CB 3.37Å; W194-M256 HydrophobicContact CZ2-CG 3.88Å; W194-M256 HydrophobicContact CZ3-CB 4.32Å; W194-M256 HydrophobicContact CZ3-CE 3.63Å; W194-M256 HydrophobicContact CZ3-CG 4.4Å; L204-M256 HydrophobicContact CD1-CE 3.77Å; L204-M256 HydrophobicContact CD1-SD 4.11Å; A213-M256 HydrophobicContact CB-CE 4Å; L218-M256 HydrophobicContact CD2-CE 3.63Å; L218-M256 HydrophobicContact CD2-SD 4.13Å; F252-M256 HydrophobicContact CD1-CG 3.91Å; F252-M256 HydrophobicContact CE1-CG 3.49Å; F252-M256 VanDerWaalsContact CE1-CG 3.49Å; F252-M256 HydrophobicContact CE1-SD 4.09Å; F252-M256 HydrophobicContact CE2-CG 4.12Å; F252-M256 HydrophobicContact CE2-SD 4.06Å; F252-M256 HydrophobicContact CG-CG 4.41Å; F252-M256 HydrophobicContact CZ-CG 3.61Å; F252-M256 HydrophobicContact CZ-SD 3.6Å; F252-M256 WeakPolarHBondContact O-CB 3.27Å; F252-M256 VanDerWaalsContact O-CG 3.23Å; F252-M256 WeakPolarHBondContact O-CG 3.19Å; F252-M256 PolarHBondContact O-N 2.89Å; R253-M256 PolarHBondContact O-N 3.38Å; E254-M256 VanDerWaalsContact C-N 3.35Å; E254-M256 PolarHBondContact O-N 3.46Å; M256-F258 PolarHBondContact O-N 2.92Å; M256-I259 PolarHBondContact O-N 3.22Å; M256-I259 HydrophobicContact SD-CD1 4.02Å; M256-Y260 HydrophobicContact CE-CE2 3.88Å; M256-Y260 WeakPolarHBondContact O-CD2 3.48Å; M256-Y260 PolarHBondContact O-N 3.35Å; M256-Y260 VanDerWaalsContact O-N 3.11Å
257G95Very high94.9Very high17 Ų1734.7 Ų34.718%0.17519%0.189CC..Hα-helixtrans-52.3-42.2172.500000112.3R253 E254 Y260 T261R253-G257 PolarHBondContact O-N 2.95Å; E254-G257 PolarHBondContact O-N 3.02Å; G257-Y260 PolarHBondContact O-N 3.5Å; G257-T261 WeakPolarHBondContact O-CB 3.34Å; G257-T261 WeakPolarHBondContact O-CG2 3.26Å; G257-T261 PolarHBondContact O-N 3.36Å; G257-T261 PolarHBondContact O-OG1 2.99Å
258F95.8Very high94.8Very high7 Ų742.3 Ų42.33%0.03122%0.224CC..Hα-helixtrans-66.4-39.2174.6177.5-89.9000113.7R222 E254 M255 M256 Y260 G262 K263 A264 R285 L286 M289R222-F258 PolarHBondContact NH1-O 2.95Å; R222-F258 VanDerWaalsContact NH1-O 3.1Å; R222-F258 PolarHBondContact NH2-O 3.11Å; E254-F258 PolarHBondContact O-N 2.93Å; M255-F258 WeakPolarHBondContact O-CB 3.22Å; M255-F258 PolarHBondContact O-N 3.39Å; M256-F258 PolarHBondContact O-N 2.92Å; F258-Y260 VanDerWaalsContact C-N 3.3Å; F258-Y260 PolarHBondContact O-N 2.88Å; F258-G262 WeakPolarHBondContact CE2-O 3.34Å; F258-G262 WeakPolarHBondContact O-CA 3.06Å; F258-G262 PolarHBondContact O-N 3.14Å; F258-K263 VanDerWaalsContact CA-O 3.23Å; F258-K263 WeakPolarHBondContact CA-O 3.49Å; F258-K263 PolarHBondContact N-O 3.28Å; F258-A264 HydrophobicContact CD2-CB 4.49Å; F258-R285 HydrophobicContact CZ-CB 4.09Å; F258-R285 HydrophobicContact CZ-CG 4.18Å; F258-L286 HydrophobicContact CB-CD1 4.33Å; F258-L286 HydrophobicContact CB-CD2 4.13Å; F258-L286 HydrophobicContact CD1-CB 3.82Å; F258-L286 HydrophobicContact CD1-CD1 4.49Å; F258-L286 HydrophobicContact CD1-CD2 3.95Å; F258-L286 HydrophobicContact CD1-CG 4.31Å; F258-L286 HydrophobicContact CD2-CB 4.22Å; F258-L286 HydrophobicContact CD2-CD1 3.77Å; F258-L286 HydrophobicContact CD2-CG 4.43Å; F258-L286 HydrophobicContact CE1-CB 3.64Å; F258-L286 HydrophobicContact CE2-CB 4.01Å; F258-L286 HydrophobicContact CE2-CD1 4.17Å; F258-L286 HydrophobicContact CG-CB 4.12Å; F258-L286 HydrophobicContact CG-CD1 3.93Å; F258-L286 HydrophobicContact CG-CD2 3.98Å; F258-L286 HydrophobicContact CG-CG 4.24Å; F258-L286 HydrophobicContact CZ-CB 3.73Å; F258-M289 HydrophobicContact CE2-SD 3.85Å
259I94.8Very high94.7Very high0 Ų046.1 Ų46.10%024%0.236CC..Hα-helixtrans-61.7-40.2178.2-70.7167.7000110.9I217 L218 R222 F226 M255 M256 L283I217-I259 HydrophobicContact CG2-CG2 4.27Å; L218-I259 HydrophobicContact CD2-CD1 4.18Å; L218-I259 HydrophobicContact CD2-CG2 3.84Å; R222-I259 HydrophobicContact CB-CG2 3.87Å; R222-I259 HydrophobicContact CG-CG2 4.2Å; R222-I259 PolarHBondContact NE-O 3.05Å; R222-I259 PolarHBondContact NH1-O 3.37Å; R222-I259 PolarHBondContact NH2-O 3.2Å; F226-I259 HydrophobicContact CD2-CD1 4.46Å; F226-I259 HydrophobicContact CE2-CD1 4.13Å; M255-I259 HydrophobicContact CG-CD1 4.42Å; M255-I259 WeakPolarHBondContact O-CG1 3.43Å; M255-I259 PolarHBondContact O-N 3.04Å; M256-I259 PolarHBondContact O-N 3.22Å; M256-I259 HydrophobicContact SD-CD1 4.02Å; I259-L283 HydrophobicContact CD1-CD1 4.22Å; I259-L283 HydrophobicContact CD1-CD2 4.41Å; I259-L283 HydrophobicContact CG1-CD1 4.12Å; I259-L283 HydrophobicContact CG1-CD2 4.11Å
260Y94.5Very high94.7Very high2 Ų246.8 Ų46.81%0.00824%0.238CC..Hα-helixtrans-78.9-43179-76.4-98.4000113.1L190 L193 W194 H214 I217 M256 G257 F258L190-Y260 WeakPolarHBondContact O-CD1 3.47Å; L193-Y260 HydrophobicContact CB-CE1 4.42Å; W194-Y260 HydrophobicContact CB-CD1 3.81Å; W194-Y260 HydrophobicContact CB-CD2 3.69Å; W194-Y260 HydrophobicContact CB-CE1 3.94Å; W194-Y260 HydrophobicContact CB-CE2 3.83Å; W194-Y260 HydrophobicContact CB-CG 3.68Å; W194-Y260 HydrophobicContact CD2-CD2 4.25Å; W194-Y260 AromaticContact CD2-CE2 3.99Å; W194-Y260 HydrophobicContact CD2-CE2 3.99Å; W194-Y260 HydrophobicContact CE3-CD2 4.44Å; W194-Y260 AromaticContact CE3-CE2 3.73Å; W194-Y260 HydrophobicContact CE3-CE2 3.73Å; W194-Y260 AromaticContact CG-CD2 3.96Å; W194-Y260 HydrophobicContact CG-CD2 3.96Å; W194-Y260 HydrophobicContact CG-CE2 4.07Å; W194-Y260 HydrophobicContact CG-CG 4.38Å; H214-Y260 PolarHBondContact N-OH 2.77Å; H214-Y260 AromaticContact ND1-CE1 3.55Å; H214-Y260 AromaticContact ND1-CZ 3.63Å; H214-Y260 PolarHBondContact ND1-OH 3.48Å; I217-Y260 HydrophobicContact CB-CE1 4.3Å; I217-Y260 HydrophobicContact CD1-CD1 3.88Å; I217-Y260 HydrophobicContact CD1-CE1 3.43Å; I217-Y260 VanDerWaalsContact CD1-CE1 3.43Å; I217-Y260 HydrophobicContact CG1-CE1 4.44Å; I217-Y260 HydrophobicContact CG2-CD1 3.96Å; I217-Y260 HydrophobicContact CG2-CE1 3.93Å; I217-Y260 HydrophobicContact CG2-CG 4.31Å; M256-Y260 HydrophobicContact CE-CE2 3.88Å; M256-Y260 WeakPolarHBondContact O-CD2 3.48Å; M256-Y260 PolarHBondContact O-N 3.35Å; M256-Y260 VanDerWaalsContact O-N 3.11Å; G257-Y260 PolarHBondContact O-N 3.5Å; F258-Y260 VanDerWaalsContact C-N 3.3Å; F258-Y260 PolarHBondContact O-N 2.88Å
261T93.1Very high94.7Very high32 Ų3242.6 Ų42.620%0.19622%0.217CC..Hα-helixtrans-108.5-20.3-167.270.30000114S187 G257 K263S187-T261 WeakPolarHBondContact OG-CB 3.41Å; S187-T261 PolarHBondContact OG-O 2.84Å; G257-T261 WeakPolarHBondContact O-CB 3.34Å; G257-T261 WeakPolarHBondContact O-CG2 3.26Å; G257-T261 PolarHBondContact O-N 3.36Å; G257-T261 PolarHBondContact O-OG1 2.99Å; T261-K263 PolarHBondContact O-N 2.93Å; T261-K263 WeakPolarHBondContact OG1-CB 3.27Å; T261-K263 PolarHBondContact OG1-N 3.26Å; T261-K263 VanDerWaalsContact OG1-N 3.08Å; T261-K263 PolarHBondContact OG1-O 3.19Å
262G92.1Very high94.6Very high13 Ų1345.6 Ų45.613%0.13423%0.233CC..SBendtrans73.39.2-169.400000114.3F258 R285F258-G262 WeakPolarHBondContact CE2-O 3.34Å; F258-G262 WeakPolarHBondContact O-CA 3.06Å; F258-G262 PolarHBondContact O-N 3.14Å; G262-R285 PolarHBondContact O-NH1 3.05Å
263K91.9Very high94.6Very high106 Ų10649.9 Ų49.946%0.46126%0.255SS..  trans-114.5147.9179.6-54.9171.8-173.2170.20109.8S187 D188 F258 T261S187-K263 WeakPolarHBondContact OG-CE 3.33Å; D188-K263 IonicContact OD1-NZ 3.75Å; D188-K263 PolarHBondContact OD1-NZ 3.02Å; D188-K263 IonicContact OD2-NZ 2.63Å; F258-K263 VanDerWaalsContact CA-O 3.23Å; F258-K263 WeakPolarHBondContact CA-O 3.49Å; F258-K263 PolarHBondContact N-O 3.28Å; T261-K263 PolarHBondContact O-N 2.93Å; T261-K263 WeakPolarHBondContact OG1-CB 3.27Å; T261-K263 PolarHBondContact OG1-N 3.26Å; T261-K263 VanDerWaalsContact OG1-N 3.08Å; T261-K263 PolarHBondContact OG1-O 3.19Å
264A94.9Very high94.7Very high14 Ų1444.7 Ų44.712%0.11624%0.236CC..  trans-13878.4175.600000109.2E254 F258 N266 L267 L274 L286E254-A264 HydrophobicContact CG-CB 4.37Å; E254-A264 WeakPolarHBondContact OE1-CA 3.48Å; F258-A264 HydrophobicContact CD2-CB 4.49Å; A264-N266 VanDerWaalsContact C-N 3.27Å; A264-N266 PolarHBondContact O-N 2.82Å; A264-L267 HydrophobicContact CB-CB 4.01Å; A264-L267 HydrophobicContact CB-CD1 4.14Å; A264-L267 VanDerWaalsContact O-CB 3.32Å; A264-L267 WeakPolarHBondContact O-CB 3.42Å; A264-L267 PolarHBondContact O-N 3.07Å; A264-L274 HydrophobicContact CB-CD2 4.48Å; A264-L286 HydrophobicContact CB-CD1 3.97Å
265P92.9Very high94.7Very high113 Ų11343.9 Ų43.973%0.73423%0.232SC*.THydrogen-bonded Turntrans-62.8-24.1-173.326.3-36.2000115.2E254E254-P265 WeakPolarHBondContact OE1-CD 3.48Å
266N93.8Very high94.7Very high60 Ų6045.3 Ų45.332%0.32124%0.244SC..THydrogen-bonded Turntrans-10310179.9-56.7-72.2000113.7E254 A264 E268 K269 M270E254-N266 PolarHBondContact OE1-N 3.37Å; E254-N266 WeakPolarHBondContact OE2-CB 3.1Å; E254-N266 PolarHBondContact OE2-ND2 3.41Å; A264-N266 VanDerWaalsContact C-N 3.27Å; A264-N266 PolarHBondContact O-N 2.82Å; N266-E268 VanDerWaalsContact C-N 3.26Å; N266-E268 PolarHBondContact O-N 2.96Å; N266-E268 VanDerWaalsContact O-N 3.15Å; N266-K269 PolarHBondContact O-N 3.1Å; N266-M270 HydrophobicContact CB-CE 4.2Å
267L94.1Very high94.7Very high12 Ų1245.5 Ų45.56%0.06325%0.245CC..G310 helixtrans-49.8-43.5-175.6-179.6153.9000113.1A264 K269 M270 A271 L274 L286 M289 A293A264-L267 HydrophobicContact CB-CB 4.01Å; A264-L267 HydrophobicContact CB-CD1 4.14Å; A264-L267 VanDerWaalsContact O-CB 3.32Å; A264-L267 WeakPolarHBondContact O-CB 3.42Å; A264-L267 PolarHBondContact O-N 3.07Å; L267-K269 PolarHBondContact O-N 3.49Å; L267-K269 VanDerWaalsContact O-N 3.07Å; L267-M270 CarbonylContact O-C 3.52Å; L267-M270 PolarHBondContact O-N 3.01Å; L267-M270 VanDerWaalsContact O-N 3.1Å; L267-A271 HydrophobicContact CD2-CB 4.22Å; L267-A271 WeakPolarHBondContact O-CA 3.48Å; L267-A271 WeakPolarHBondContact O-CB 3.33Å; L267-A271 PolarHBondContact O-N 3.15Å; L267-L274 HydrophobicContact CB-CD2 4.16Å; L267-L274 HydrophobicContact CD1-CD2 4.23Å; L267-L274 HydrophobicContact CG-CD2 4.01Å; L267-L286 HydrophobicContact CD1-CD1 4.05Å; L267-M289 HydrophobicContact CD1-CB 3.7Å; L267-M289 HydrophobicContact CD1-CE 4.18Å; L267-A293 HydrophobicContact CD2-CB 3.28Å
268E91.3Very high94.8Very high177 Ų17744.7 Ų44.783%0.82724%0.237SC*.G310 helixtrans-59.3-24.4-177.6-64.6-171.5169.900113.9N266N266-E268 VanDerWaalsContact C-N 3.26Å; N266-E268 PolarHBondContact O-N 2.96Å; N266-E268 VanDerWaalsContact O-N 3.15Å
269K93.8Very high94.7Very high170 Ų17046.7 Ų46.774%0.73925%0.248SC*.G310 helixtrans-84.5-17.5-178.3-61.9176.1-175.3163.80113.5N266 L267N266-K269 PolarHBondContact O-N 3.1Å; L267-K269 PolarHBondContact O-N 3.49Å; L267-K269 VanDerWaalsContact O-N 3.07Å
270M96Very high94.7Very high30 Ų3050.7 Ų50.715%0.14827%0.266CS..SBendtrans-144.526.5-169.262-178.871.600112.3V251 E254 N266 L267 D272 N273 L274V251-M270 HydrophobicContact CB-SD 4.48Å; V251-M270 HydrophobicContact CG2-CB 4.44Å; V251-M270 HydrophobicContact CG2-SD 4.15Å; E254-M270 HydrophobicContact CB-SD 3.73Å; E254-M270 HydrophobicContact CG-SD 3.96Å; N266-M270 HydrophobicContact CB-CE 4.2Å; L267-M270 CarbonylContact O-C 3.52Å; L267-M270 PolarHBondContact O-N 3.01Å; L267-M270 VanDerWaalsContact O-N 3.1Å; M270-D272 PolarHBondContact O-N 3.32Å; M270-N273 PolarHBondContact O-N 3.24Å; M270-L274 HydrophobicContact CG-CB 4.35Å; M270-L274 WeakPolarHBondContact O-CB 3.46Å; M270-L274 PolarHBondContact O-N 3.49Å
271A95.9Very high94.6Very high8 Ų850.7 Ų50.77%0.06627%0.266CS..Hα-helixtrans-60.4-30.7-170.200000113L267 L275 A293 L294L267-A271 HydrophobicContact CD2-CB 4.22Å; L267-A271 WeakPolarHBondContact O-CA 3.48Å; L267-A271 WeakPolarHBondContact O-CB 3.33Å; L267-A271 PolarHBondContact O-N 3.15Å; A271-L275 WeakPolarHBondContact O-CB 3.35Å; A271-L275 PolarHBondContact O-N 2.9Å; A271-A293 HydrophobicContact CB-CB 4.19Å; A271-L294 HydrophobicContact CB-CD2 3.98Å; A271-L294 HydrophobicContact CB-CG 3.91Å
272D95.8Very high94.6Very high70 Ų7051.2 Ų51.237%0.37427%0.273SS..Hα-helixtrans-66.2-54.9175.955.2-15.4000112.5M270 L274 L275 A276 L309M270-D272 PolarHBondContact O-N 3.32Å; D272-L274 VanDerWaalsContact C-N 3.33Å; D272-L274 PolarHBondContact O-N 3.25Å; D272-L275 WeakPolarHBondContact O-CB 3.27Å; D272-L275 PolarHBondContact O-N 2.96Å; D272-A276 PolarHBondContact O-N 3.04Å; D272-L309 HydrophobicContact CB-CD2 3.78Å
273N96.6Very high94.7Very high90 Ų9050.8 Ų50.848%0.48127%0.268SS..Hα-helixtrans-69.7-34.7179.6-63.3-48.9000111.5V251 M270 A276 A277V251-N273 HydrophobicContact CG1-CB 4.14Å; V251-N273 HydrophobicContact CG2-CB 3.66Å; M270-N273 PolarHBondContact O-N 3.24Å; N273-A276 WeakPolarHBondContact O-CB 3.46Å; N273-A276 PolarHBondContact O-N 3.32Å; N273-A277 PolarHBondContact O-N 2.94Å
274L97.3Very high94.8Very high0 Ų051.4 Ų51.40%027%0.273CS..Hα-helixtrans-71.5-31.9177.2-165.762.2000111.7V251 E254 M255 A264 L267 M270 D272 A277 A278 L286V251-L274 HydrophobicContact CG1-CB 4.37Å; V251-L274 HydrophobicContact CG1-CD1 4.01Å; E254-L274 HydrophobicContact CB-CD1 4.37Å; E254-L274 HydrophobicContact CG-CD1 4.5Å; E254-L274 HydrophobicContact CG-CD2 3.98Å; M255-L274 HydrophobicContact CB-CD1 4.02Å; A264-L274 HydrophobicContact CB-CD2 4.48Å; L267-L274 HydrophobicContact CB-CD2 4.16Å; L267-L274 HydrophobicContact CD1-CD2 4.23Å; L267-L274 HydrophobicContact CG-CD2 4.01Å; M270-L274 HydrophobicContact CG-CB 4.35Å; M270-L274 WeakPolarHBondContact O-CB 3.46Å; M270-L274 PolarHBondContact O-N 3.49Å; D272-L274 VanDerWaalsContact C-N 3.33Å; D272-L274 PolarHBondContact O-N 3.25Å; L274-A277 PolarHBondContact O-N 3.13Å; L274-A278 WeakPolarHBondContact O-CB 3.3Å; L274-A278 PolarHBondContact O-N 3.14Å; L274-L286 HydrophobicContact CD1-CD2 4.06Å; L274-L286 HydrophobicContact CD2-CD1 3.98Å; L274-L286 HydrophobicContact CG-CD1 4.32Å; L274-L286 HydrophobicContact CG-CD2 4.15Å; L274-L286 HydrophobicContact CG-CG 4.34Å
275L97.4Very high94.8Very high0 Ų058 Ų580%029%0.294CS..Hα-helixtrans-61-47.7169.7178.168.6000110.7A271 D272 A277 A278 D279 K287 C290 E291 L294 L309 H313 A315 L318A271-L275 WeakPolarHBondContact O-CB 3.35Å; A271-L275 PolarHBondContact O-N 2.9Å; D272-L275 WeakPolarHBondContact O-CB 3.27Å; D272-L275 PolarHBondContact O-N 2.96Å; L275-A277 VanDerWaalsContact C-N 3.35Å; L275-A277 PolarHBondContact O-N 3.43Å; L275-A278 PolarHBondContact O-N 3.3Å; L275-D279 WeakPolarHBondContact O-CB 3.41Å; L275-D279 PolarHBondContact O-N 2.82Å; L275-K287 HydrophobicContact CD1-CB 4.42Å; L275-K287 HydrophobicContact CD1-CG 3.53Å; L275-C290 HydrophobicContact CB-CB 3.84Å; L275-C290 HydrophobicContact CD1-CB 4.04Å; L275-E291 HydrophobicContact CD1-CG 4.14Å; L275-L294 HydrophobicContact CB-CD1 4.44Å; L275-L294 HydrophobicContact CD2-CD1 3.8Å; L275-L309 HydrophobicContact CD2-CD2 4.13Å; L275-L309 HydrophobicContact CD2-CG 4.14Å; L275-H313 HydrophobicContact CD2-CB 4.31Å; L275-H313 HydrophobicContact CG-CB 4.18Å; L275-A315 HydrophobicContact CD1-CB 4.29Å; L275-A315 HydrophobicContact CD2-CB 4.24Å; L275-L318 HydrophobicContact CD2-CD2 4.32Å
276A96.4Very high94.9Very high30 Ų3052.6 Ų52.625%0.24826%0.259CS..Hα-helixtrans-59.5-45177.800000112D272 N273 K280 H313D272-A276 PolarHBondContact O-N 3.04Å; N273-A276 WeakPolarHBondContact O-CB 3.46Å; N273-A276 PolarHBondContact O-N 3.32Å; A276-K280 WeakPolarHBondContact O-CB 3.2Å; A276-K280 PolarHBondContact O-N 3.49Å; A276-H313 WeakPolarHBondContact CB-CE1 3.35Å; A276-H313 WeakPolarHBondContact CB-NE2 3.42Å
277A96Very high95Very high4 Ų450.4 Ų50.43%0.03325%0.247CC..Hα-helixtrans-64.8-44.4175.800000111.8V247 V251 M255 N273 L274 L275 D279 K280 Y281V247-A277 HydrophobicContact CG1-CB 4.3Å; V251-A277 HydrophobicContact CG1-CB 4.09Å; M255-A277 HydrophobicContact SD-CB 3.97Å; N273-A277 PolarHBondContact O-N 2.94Å; L274-A277 PolarHBondContact O-N 3.13Å; L275-A277 VanDerWaalsContact C-N 3.35Å; L275-A277 PolarHBondContact O-N 3.43Å; A277-D279 PolarHBondContact O-N 2.98Å; A277-K280 PolarHBondContact O-N 3.33Å; A277-Y281 WeakPolarHBondContact O-CD2 3.44Å; A277-Y281 PolarHBondContact O-N 2.8Å
278A95.6Very high95Very high0 Ų051.9 Ų51.90%026%0.256CS..Hα-helixtrans-62.2-41.9179.700000112.2L274 L275 A282 L283 L286 K287L274-A278 WeakPolarHBondContact O-CB 3.3Å; L274-A278 PolarHBondContact O-N 3.14Å; L275-A278 PolarHBondContact O-N 3.3Å; A278-A282 PolarHBondContact O-N 2.75Å; A278-L283 HydrophobicContact CB-CB 4.18Å; A278-L283 PolarHBondContact O-N 3.14Å; A278-L286 HydrophobicContact CB-CB 4.03Å; A278-L286 HydrophobicContact CB-CD2 4Å; A278-L286 HydrophobicContact CB-CG 3.89Å; A278-K287 HydrophobicContact CB-CB 4.06Å
279D95.4Very high95.1Very high50 Ų5045.8 Ų45.827%0.26723%0.229SC..Hα-helixtrans-64-49.2175.2-172.254.5000111.1L275 A277 Y281 A282 K287 H313L275-D279 WeakPolarHBondContact O-CB 3.41Å; L275-D279 PolarHBondContact O-N 2.82Å; A277-D279 PolarHBondContact O-N 2.98Å; D279-Y281 VanDerWaalsContact C-N 3.31Å; D279-Y281 PolarHBondContact O-N 2.81Å; D279-A282 PolarHBondContact O-N 2.77Å; D279-K287 HydrophobicContact CB-CD 4.42Å; D279-K287 IonicContact OD1-NZ 3.51Å; D279-K287 PolarHBondContact OD1-NZ 2.94Å; D279-H313 HydrophobicContact CB-CB 4.07Å; D279-H313 VanDerWaalsContact CG-O 3.32Å; D279-H313 WeakPolarHBondContact OD2-CA 3.17Å; D279-H313 IonicContact OD2-ND1 3.77Å
280K93.4Very high95.3Very high84 Ų8437.7 Ų37.737%0.36519%0.193SC..Hα-helixtrans-56.1-42.4178.6178.1177.1172175.60112.9V225 D246 A276 A277V225-K280 WeakPolarHBondContact CG2-O 3.38Å; D246-K280 IonicContact OD1-NZ 3.35Å; D246-K280 PolarHBondContact OD1-NZ 3.35Å; D246-K280 WeakPolarHBondContact OD2-CD 3.28Å; D246-K280 WeakPolarHBondContact OD2-CE 3.43Å; D246-K280 IonicContact OD2-NZ 2.8Å; D246-K280 PolarHBondContact OD2-NZ 3.42Å; A276-K280 WeakPolarHBondContact O-CB 3.2Å; A276-K280 PolarHBondContact O-N 3.49Å; A277-K280 PolarHBondContact O-N 3.33Å
281Y92.8Very high95.2Very high2 Ų236.7 Ų36.71%0.00819%0.188CC..THydrogen-bonded Turntrans-94.810.8-178.5-69.9-84.2000113.4S223 V225 F226 I244 V247 M255 A277 D279 L283S223-Y281 WeakPolarHBondContact CB-O 3.11Å; S223-Y281 PolarHBondContact OG-O 3.27Å; V225-Y281 HydrophobicContact CB-CD1 4.41Å; V225-Y281 HydrophobicContact CG1-CD1 4.12Å; F226-Y281 HydrophobicContact CD1-CE1 4.4Å; F226-Y281 AromaticContact CD2-CD1 3.92Å; F226-Y281 HydrophobicContact CD2-CD1 3.92Å; F226-Y281 HydrophobicContact CD2-CE1 4.41Å; F226-Y281 HydrophobicContact CE1-CD1 4.18Å; F226-Y281 AromaticContact CE1-CE1 3.7Å; F226-Y281 HydrophobicContact CE1-CE1 3.7Å; F226-Y281 AromaticContact CE2-CD1 3.45Å; F226-Y281 HydrophobicContact CE2-CD1 3.45Å; F226-Y281 VanDerWaalsContact CE2-CD1 3.45Å; F226-Y281 AromaticContact CE2-CE1 3.71Å; F226-Y281 HydrophobicContact CE2-CE1 3.71Å; F226-Y281 HydrophobicContact CE2-CG 4.24Å; F226-Y281 HydrophobicContact CG-CD1 4.44Å; F226-Y281 AromaticContact CZ-CD1 3.6Å; F226-Y281 HydrophobicContact CZ-CD1 3.6Å; F226-Y281 AromaticContact CZ-CE1 3.3Å; F226-Y281 HydrophobicContact CZ-CE1 3.3Å; I244-Y281 WeakPolarHBondContact CD1-OH 3.44Å; I244-Y281 WeakPolarHBondContact CG2-OH 3.46Å; V247-Y281 HydrophobicContact CG2-CE2 4.12Å; M255-Y281 HydrophobicContact CE-CD2 3.81Å; M255-Y281 HydrophobicContact CE-CE2 3.94Å; M255-Y281 HydrophobicContact CE-CG 4.2Å; M255-Y281 HydrophobicContact SD-CD2 3.47Å; M255-Y281 WeakPolarHBondContact SD-CD2 3.43Å; M255-Y281 HydrophobicContact SD-CE2 4.08Å; M255-Y281 HydrophobicContact SD-CG 3.98Å; A277-Y281 WeakPolarHBondContact O-CD2 3.44Å; A277-Y281 PolarHBondContact O-N 2.8Å; D279-Y281 VanDerWaalsContact C-N 3.31Å; D279-Y281 PolarHBondContact O-N 2.81Å; Y281-L283 VanDerWaalsContact C-N 3.3Å; Y281-L283 PolarHBondContact O-N 2.98Å
282A94Very high95Very high43 Ų4342.5 Ų42.536%0.35521%0.214SC..THydrogen-bonded Turntrans52.443.8179.300000113.7P224 V225 A278 D279 E284P224-A282 HydrophobicContact CB-CB 4.45Å; P224-A282 HydrophobicContact CG-CB 4.08Å; V225-A282 HydrophobicContact CG2-CB 4.2Å; A278-A282 PolarHBondContact O-N 2.75Å; D279-A282 PolarHBondContact O-N 2.77Å; A282-E284 PolarHBondContact O-N 3.46Å
283L94.1Very high94.7Very high4 Ų440 Ų402%0.02120%0.204CC..  trans-91.469.4177.2-56.6-179.7000110.5R222 M255 I259 A278 Y281 R285 L286 K287R222-L283 WeakPolarHBondContact O-CD2 3.39Å; M255-L283 HydrophobicContact CG-CD1 3.4Å; M255-L283 HydrophobicContact SD-CD1 3.88Å; I259-L283 HydrophobicContact CD1-CD1 4.22Å; I259-L283 HydrophobicContact CD1-CD2 4.41Å; I259-L283 HydrophobicContact CG1-CD1 4.12Å; I259-L283 HydrophobicContact CG1-CD2 4.11Å; A278-L283 HydrophobicContact CB-CB 4.18Å; A278-L283 PolarHBondContact O-N 3.14Å; Y281-L283 VanDerWaalsContact C-N 3.3Å; Y281-L283 PolarHBondContact O-N 2.98Å; L283-R285 VanDerWaalsContact C-N 3.34Å; L283-R285 PolarHBondContact O-N 3.09Å; L283-R285 VanDerWaalsContact O-N 3.17Å; L283-L286 HydrophobicContact CB-CB 3.98Å; L283-L286 HydrophobicContact CB-CD2 4.49Å; L283-L286 HydrophobicContact CD1-CD2 3.9Å; L283-L286 WeakPolarHBondContact O-CA 3.02Å; L283-L286 WeakPolarHBondContact O-CB 3.15Å; L283-L286 PolarHBondContact O-N 3.46Å; L283-K287 PolarHBondContact O-N 3.47Å
284E93.5Very high94.5Very high119 Ų11936.5 Ų36.556%0.55619%0.185SC*.Hα-helixtrans-52.4-44.9-168.5-170.559.5-154.300114.3A282 L286 K287 V288A282-E284 PolarHBondContact O-N 3.46Å; E284-L286 VanDerWaalsContact C-N 3.34Å; E284-L286 PolarHBondContact O-N 2.89Å; E284-K287 WeakPolarHBondContact O-CB 3.29Å; E284-K287 PolarHBondContact O-N 3.23Å; E284-V288 WeakPolarHBondContact O-CG2 2.98Å; E284-V288 PolarHBondContact O-N 3.29Å
285R93.9Very high94.1Very high152 Ų15237.8 Ų37.857%0.57419%0.193SC*.Hα-helixtrans-65.3-37178.7179.8173.7-179.7-83.8-2.9112.4F258 G262 L283 M289F258-R285 HydrophobicContact CZ-CB 4.09Å; F258-R285 HydrophobicContact CZ-CG 4.18Å; G262-R285 PolarHBondContact O-NH1 3.05Å; L283-R285 VanDerWaalsContact C-N 3.34Å; L283-R285 PolarHBondContact O-N 3.09Å; L283-R285 VanDerWaalsContact O-N 3.17Å; R285-M289 HydrophobicContact CG-SD 4.38Å; R285-M289 VanDerWaalsContact O-CG 3.27Å; R285-M289 WeakPolarHBondContact O-CG 2.81Å; R285-M289 PolarHBondContact O-N 2.91Å; R285-M289 VanDerWaalsContact O-N 3.11Å
286L95.6Very high93.5Very high0 Ų043.5 Ų43.50%022%0.224CC..Hα-helixtrans-69.2-39.6176.2-17859000110.8M255 F258 A264 L267 L274 A278 L283 E284 V288 M289 C290M255-L286 HydrophobicContact CG-CD2 4.31Å; F258-L286 HydrophobicContact CB-CD1 4.33Å; F258-L286 HydrophobicContact CB-CD2 4.13Å; F258-L286 HydrophobicContact CD1-CB 3.82Å; F258-L286 HydrophobicContact CD1-CD1 4.49Å; F258-L286 HydrophobicContact CD1-CD2 3.95Å; F258-L286 HydrophobicContact CD1-CG 4.31Å; F258-L286 HydrophobicContact CD2-CB 4.22Å; F258-L286 HydrophobicContact CD2-CD1 3.77Å; F258-L286 HydrophobicContact CD2-CG 4.43Å; F258-L286 HydrophobicContact CE1-CB 3.64Å; F258-L286 HydrophobicContact CE2-CB 4.01Å; F258-L286 HydrophobicContact CE2-CD1 4.17Å; F258-L286 HydrophobicContact CG-CB 4.12Å; F258-L286 HydrophobicContact CG-CD1 3.93Å; F258-L286 HydrophobicContact CG-CD2 3.98Å; F258-L286 HydrophobicContact CG-CG 4.24Å; F258-L286 HydrophobicContact CZ-CB 3.73Å; A264-L286 HydrophobicContact CB-CD1 3.97Å; L267-L286 HydrophobicContact CD1-CD1 4.05Å; L274-L286 HydrophobicContact CD1-CD2 4.06Å; L274-L286 HydrophobicContact CD2-CD1 3.98Å; L274-L286 HydrophobicContact CG-CD1 4.32Å; L274-L286 HydrophobicContact CG-CD2 4.15Å; L274-L286 HydrophobicContact CG-CG 4.34Å; A278-L286 HydrophobicContact CB-CB 4.03Å; A278-L286 HydrophobicContact CB-CD2 4Å; A278-L286 HydrophobicContact CB-CG 3.89Å; L283-L286 HydrophobicContact CB-CB 3.98Å; L283-L286 HydrophobicContact CB-CD2 4.49Å; L283-L286 HydrophobicContact CD1-CD2 3.9Å; L283-L286 WeakPolarHBondContact O-CA 3.02Å; L283-L286 WeakPolarHBondContact O-CB 3.15Å; L283-L286 PolarHBondContact O-N 3.46Å; E284-L286 VanDerWaalsContact C-N 3.34Å; E284-L286 PolarHBondContact O-N 2.89Å; L286-V288 PolarHBondContact O-N 2.9Å; L286-M289 WeakPolarHBondContact O-CB 3.49Å; L286-M289 PolarHBondContact O-N 3.48Å; L286-C290 PolarHBondContact O-N 3.06Å; L286-C290 PolarHBondContact O-SG 2.74Å
287K95.8Very high92.9Very high13 Ų1345.1 Ų45.16%0.05723%0.233CC..Hα-helixtrans-54.9-52.7175.1-170.9-176.7174.6169.20110.6L275 A278 D279 L283 E284 M289 C290 E291 H313 S314L275-K287 HydrophobicContact CD1-CB 4.42Å; L275-K287 HydrophobicContact CD1-CG 3.53Å; A278-K287 HydrophobicContact CB-CB 4.06Å; D279-K287 HydrophobicContact CB-CD 4.42Å; D279-K287 IonicContact OD1-NZ 3.51Å; D279-K287 PolarHBondContact OD1-NZ 2.94Å; L283-K287 PolarHBondContact O-N 3.47Å; E284-K287 WeakPolarHBondContact O-CB 3.29Å; E284-K287 PolarHBondContact O-N 3.23Å; K287-M289 VanDerWaalsContact C-N 3.34Å; K287-M289 PolarHBondContact O-N 3.24Å; K287-C290 WeakPolarHBondContact O-CA 3.4Å; K287-C290 WeakPolarHBondContact O-CB 2.98Å; K287-C290 PolarHBondContact O-N 3.46Å; K287-E291 WeakPolarHBondContact O-CG 3.38Å; K287-E291 PolarHBondContact O-N 2.62Å; K287-H313 WeakPolarHBondContact CE-O 3.11Å; K287-H313 PolarHBondContact NZ-O 3.47Å; K287-S314 WeakPolarHBondContact CE-O 3.22Å; K287-S314 PolarHBondContact NZ-O 3.48Å
288V94.9Very high92.4Very high44 Ų4446.1 Ų46.127%0.26724%0.238SC..Hα-helixtrans-63.6-35.8177.9177.70000112.7E284 L286 C290 E291 E292E284-V288 WeakPolarHBondContact O-CG2 2.98Å; E284-V288 PolarHBondContact O-N 3.29Å; L286-V288 PolarHBondContact O-N 2.9Å; V288-C290 VanDerWaalsContact C-N 3.31Å; V288-C290 PolarHBondContact O-N 2.89Å; V288-E291 WeakPolarHBondContact O-CB 3.37Å; V288-E291 PolarHBondContact O-N 2.7Å; V288-E292 PolarHBondContact O-N 2.88Å
289M93.6Very high91.9Very high49 Ų4948.3 Ų48.324%0.24125%0.253CS..Hα-helixtrans-63.4-37.6173.2-72172.160.500112F258 L267 R285 L286 K287 E292 A293F258-M289 HydrophobicContact CE2-SD 3.85Å; L267-M289 HydrophobicContact CD1-CB 3.7Å; L267-M289 HydrophobicContact CD1-CE 4.18Å; R285-M289 HydrophobicContact CG-SD 4.38Å; R285-M289 VanDerWaalsContact O-CG 3.27Å; R285-M289 WeakPolarHBondContact O-CG 2.81Å; R285-M289 PolarHBondContact O-N 2.91Å; R285-M289 VanDerWaalsContact O-N 3.11Å; L286-M289 WeakPolarHBondContact O-CB 3.49Å; L286-M289 PolarHBondContact O-N 3.48Å; K287-M289 VanDerWaalsContact C-N 3.34Å; K287-M289 PolarHBondContact O-N 3.24Å; M289-E292 PolarHBondContact O-N 3.41Å; M289-A293 PolarHBondContact O-N 3.34Å
290C96.6Very high91.5Very high0 Ų047.5 Ų47.50%025%0.25CS..Hα-helixtrans-68.2-41.2173.9-60.30000111.2L275 L286 K287 V288 E292 A293 L294L275-C290 HydrophobicContact CB-CB 3.84Å; L275-C290 HydrophobicContact CD1-CB 4.04Å; L286-C290 PolarHBondContact O-N 3.06Å; L286-C290 PolarHBondContact O-SG 2.74Å; K287-C290 WeakPolarHBondContact O-CA 3.4Å; K287-C290 WeakPolarHBondContact O-CB 2.98Å; K287-C290 PolarHBondContact O-N 3.46Å; V288-C290 VanDerWaalsContact C-N 3.31Å; V288-C290 PolarHBondContact O-N 2.89Å; C290-E292 VanDerWaalsContact C-N 3.31Å; C290-E292 PolarHBondContact O-N 3.24Å; C290-A293 PolarHBondContact O-N 3.04Å; C290-L294 WeakPolarHBondContact O-CB 3.36Å; C290-L294 WeakPolarHBondContact O-CG 3.47Å; C290-L294 PolarHBondContact O-N 3.1Å
291E93.8Very high91.2Very high9 Ų948.3 Ų48.34%0.04226%0.255CS..Hα-helixtrans-57.1-43.2173.7-69.6-175.8-11700112.2L275 K287 V288 C295 A315 Q317 L318L275-E291 HydrophobicContact CD1-CG 4.14Å; K287-E291 WeakPolarHBondContact O-CG 3.38Å; K287-E291 PolarHBondContact O-N 2.62Å; V288-E291 WeakPolarHBondContact O-CB 3.37Å; V288-E291 PolarHBondContact O-N 2.7Å; E291-C295 WeakPolarHBondContact O-CB 3.32Å; E291-C295 PolarHBondContact O-N 3.4Å; E291-A315 HydrophobicContact CG-CB 3.81Å; E291-Q317 WeakPolarHBondContact OE2-CA 3.36Å; E291-Q317 VanDerWaalsContact OE2-CB 3.26Å; E291-Q317 WeakPolarHBondContact OE2-CB 3.39Å; E291-Q317 PolarHBondContact OE2-N 2.9Å; E291-Q317 VanDerWaalsContact OE2-N 3.07Å; E291-L318 HydrophobicContact CB-CB 3.95Å; E291-L318 HydrophobicContact CG-CB 3.81Å; E291-L318 PolarHBondContact OE2-N 2.86Å
292E91.8Very high91.1Very high129 Ų12950.4 Ų50.460%0.60327%0.266SS*.Hα-helixtrans-62.8-45.9176.9-177.8174.7-159.700111.8V288 M289 C290 C295 N296V288-E292 PolarHBondContact O-N 2.88Å; M289-E292 PolarHBondContact O-N 3.41Å; C290-E292 VanDerWaalsContact C-N 3.31Å; C290-E292 PolarHBondContact O-N 3.24Å; E292-C295 PolarHBondContact O-N 3.23Å; E292-N296 WeakPolarHBondContact O-CB 3.39Å; E292-N296 VanDerWaalsContact O-CG 3.28Å; E292-N296 PolarHBondContact O-N 3.5Å; E292-N296 PolarHBondContact O-ND2 3.24Å; E292-N296 VanDerWaalsContact O-ND2 3.14Å
293A89.1Confident90.9Very high19 Ų1948.4 Ų48.416%0.15725%0.25CC..Hα-helixtrans-63.8-45.1178.900000112.2L267 A271 M289 C290 N296 S297L267-A293 HydrophobicContact CD2-CB 3.28Å; A271-A293 HydrophobicContact CB-CB 4.19Å; M289-A293 PolarHBondContact O-N 3.34Å; C290-A293 PolarHBondContact O-N 3.04Å; A293-N296 PolarHBondContact O-N 2.84Å; A293-S297 PolarHBondContact O-N 2.83Å; A293-S297 PolarHBondContact O-OG 3.33Å
294L92.6Very high90.9Very high16 Ų1648.2 Ų48.28%0.08425%0.249CC..Hα-helixtrans-64.9-38.9176.2-70168.5000111.6A271 L275 C290 N296 S297 L298 T306 L309 L318A271-L294 HydrophobicContact CB-CD2 3.98Å; A271-L294 HydrophobicContact CB-CG 3.91Å; L275-L294 HydrophobicContact CB-CD1 4.44Å; L275-L294 HydrophobicContact CD2-CD1 3.8Å; C290-L294 WeakPolarHBondContact O-CB 3.36Å; C290-L294 WeakPolarHBondContact O-CG 3.47Å; C290-L294 PolarHBondContact O-N 3.1Å; L294-N296 VanDerWaalsContact C-N 3.29Å; L294-N296 PolarHBondContact O-N 3.41Å; L294-S297 PolarHBondContact O-N 3.23Å; L294-S297 PolarHBondContact O-OG 3.12Å; L294-S297 VanDerWaalsContact O-OG 3.1Å; L294-L298 PolarHBondContact O-N 2.88Å; L294-T306 HydrophobicContact CB-CG2 4.38Å; L294-L309 HydrophobicContact CD1-CD2 3.97Å; L294-L318 HydrophobicContact CB-CD1 3.88Å; L294-L318 HydrophobicContact CB-CD2 3.78Å; L294-L318 HydrophobicContact CD1-CD2 3.64Å; L294-L318 HydrophobicContact CG-CD2 4.37Å
295C88.8Confident90.9Very high27 Ų2746.7 Ų46.718%0.18224%0.244CC..Hα-helixtrans-63.1-37.2175.3-176.80000111.9E291 E292 S297 L298 L318E291-C295 WeakPolarHBondContact O-CB 3.32Å; E291-C295 PolarHBondContact O-N 3.4Å; E292-C295 PolarHBondContact O-N 3.23Å; C295-S297 VanDerWaalsContact C-N 3.29Å; C295-L298 PolarHBondContact O-N 3.19Å; C295-L318 HydrophobicContact CB-CD1 4Å
296N85.5Confident90.9Very high120 Ų12040 Ų4064%0.64222%0.221SC*.Hα-helixtrans-72.3-22.8178.8-74.1-34.4000112.9E292 A293 L294E292-N296 WeakPolarHBondContact O-CB 3.39Å; E292-N296 VanDerWaalsContact O-CG 3.28Å; E292-N296 PolarHBondContact O-N 3.5Å; E292-N296 PolarHBondContact O-ND2 3.24Å; E292-N296 VanDerWaalsContact O-ND2 3.14Å; A293-N296 PolarHBondContact O-N 2.84Å; L294-N296 VanDerWaalsContact C-N 3.29Å; L294-N296 PolarHBondContact O-N 3.41Å
297S84.3Confident90.9Very high63 Ų6340 Ų4044%0.44122%0.221SC..THydrogen-bonded Turntrans-97.96.1177.567.40000114.2A293 L294 C295 S299 N302A293-S297 PolarHBondContact O-N 2.83Å; A293-S297 PolarHBondContact O-OG 3.33Å; L294-S297 PolarHBondContact O-N 3.23Å; L294-S297 PolarHBondContact O-OG 3.12Å; L294-S297 VanDerWaalsContact O-OG 3.1Å; C295-S297 VanDerWaalsContact C-N 3.29Å; S297-S299 PolarHBondContact O-N 3.09Å; S297-N302 PolarHBondContact O-ND2 2.94Å
298L85.9Confident90.9Very high26 Ų2640.9 Ų40.914%0.13623%0.225CC..  trans-58133176.6-77.3176000112.5L294 C295 V303 T306 F325L294-L298 PolarHBondContact O-N 2.88Å; C295-L298 PolarHBondContact O-N 3.19Å; L298-V303 HydrophobicContact CD2-CB 4.26Å; L298-V303 HydrophobicContact CD2-CG2 4.06Å; L298-T306 HydrophobicContact CD2-CG2 3.72Å; L298-F325 HydrophobicContact CB-CD2 4.3Å; L298-F325 HydrophobicContact CB-CE2 4.45Å; L298-F325 HydrophobicContact CD1-CB 4.42Å
299S85Confident90.9Very high45 Ų4540.4 Ų40.432%0.31522%0.221SC..  trans-145.6167.9-179.673.40000110.3S297 E301 N302 V303S297-S299 PolarHBondContact O-N 3.09Å; S299-E301 PolarHBondContact O-N 3.27Å; S299-E301 PolarHBondContact OG-N 3.15Å; S299-N302 WeakPolarHBondContact CA-OD1 3.44Å; S299-N302 PolarHBondContact N-OD1 2.85Å; S299-N302 PolarHBondContact O-N 3Å; S299-N302 PolarHBondContact O-OD1 3.45Å; S299-N302 VanDerWaalsContact O-OD1 3.07Å; S299-N302 PolarHBondContact OG-N 3.42Å; S299-N302 PolarHBondContact OG-ND2 3.42Å; S299-N302 PolarHBondContact OG-OD1 3.45Å; S299-V303 VanDerWaalsContact O-CB 3.28Å; S299-V303 WeakPolarHBondContact O-CB 3.31Å; S299-V303 WeakPolarHBondContact O-CG1 3.28Å; S299-V303 PolarHBondContact O-N 3.09Å; S299-V303 VanDerWaalsContact O-N 3.1Å
300V85.6Confident91Very high34 Ų3438.1 Ų38.121%0.20621%0.21CC..THydrogen-bonded Turntrans-56-39175.6168.50000111.9T349 I351 T354V300-T349 WeakPolarHBondContact CG1-O 3.44Å; V300-I351 HydrophobicContact CB-CG1 4.38Å; V300-I351 HydrophobicContact CG1-CG1 3.97Å; V300-I351 HydrophobicContact CG2-CG1 4.34Å; V300-T354 HydrophobicContact CG1-CG2 3.9Å
301E87.2Confident91Very high101 Ų10140.3 Ų40.347%0.47222%0.222SC..THydrogen-bonded Turntrans-77.3-35.2-173-59.1-59.2155.700112.6S299 T349S299-E301 PolarHBondContact O-N 3.27Å; S299-E301 PolarHBondContact OG-N 3.15Å; E301-T349 WeakPolarHBondContact OE1-CB 3.24Å; E301-T349 PolarHBondContact OE1-OG1 2.75Å
302N90.9Very high91.1Very high46 Ų4645.5 Ų45.525%0.24625%0.249CC..THydrogen-bonded Turntrans-103.9-9-173.169.60.1000115S297 S299 A304 D305 T306S297-N302 PolarHBondContact O-ND2 2.94Å; S299-N302 WeakPolarHBondContact CA-OD1 3.44Å; S299-N302 PolarHBondContact N-OD1 2.85Å; S299-N302 PolarHBondContact O-N 3Å; S299-N302 PolarHBondContact O-OD1 3.45Å; S299-N302 VanDerWaalsContact O-OD1 3.07Å; S299-N302 PolarHBondContact OG-N 3.42Å; S299-N302 PolarHBondContact OG-ND2 3.42Å; S299-N302 PolarHBondContact OG-OD1 3.45Å; N302-A304 VanDerWaalsContact C-N 3.29Å; N302-A304 PolarHBondContact O-N 3.12Å; N302-D305 PolarHBondContact O-N 2.88Å; N302-T306 WeakPolarHBondContact O-CB 3.5Å; N302-T306 PolarHBondContact O-N 3.38Å; N302-T306 PolarHBondContact O-OG1 2.65Å
303V91.3Very high91.3Very high0 Ų040.7 Ų40.70%023%0.227CC..Hα-helixtrans-63.2-32.9-173.263.10000113.4L298 S299 L307 A322 F325 I326 I351L298-V303 HydrophobicContact CD2-CB 4.26Å; L298-V303 HydrophobicContact CD2-CG2 4.06Å; S299-V303 VanDerWaalsContact O-CB 3.28Å; S299-V303 WeakPolarHBondContact O-CB 3.31Å; S299-V303 WeakPolarHBondContact O-CG1 3.28Å; S299-V303 PolarHBondContact O-N 3.09Å; S299-V303 VanDerWaalsContact O-N 3.1Å; V303-L307 VanDerWaalsContact O-CB 3.29Å; V303-L307 WeakPolarHBondContact O-CB 3.31Å; V303-L307 PolarHBondContact O-N 3.15Å; V303-A322 HydrophobicContact CG2-CB 4.07Å; V303-F325 HydrophobicContact CB-CD1 4.04Å; V303-F325 HydrophobicContact CB-CE1 4.33Å; V303-F325 HydrophobicContact CG1-CD1 4.19Å; V303-F325 HydrophobicContact CG1-CE1 4.31Å; V303-F325 HydrophobicContact CG2-CB 4.37Å; V303-F325 HydrophobicContact CG2-CD1 3.83Å; V303-F325 HydrophobicContact CG2-CG 4.42Å; V303-I326 HydrophobicContact CG1-CG1 4.13Å; V303-I326 HydrophobicContact CG2-CD1 4Å; V303-I326 HydrophobicContact CG2-CG1 3.73Å; V303-I351 HydrophobicContact CG1-CD1 3.92Å; V303-I351 HydrophobicContact CG1-CG1 4.27Å; V303-I351 HydrophobicContact CG1-CG2 4.03Å
304A92.3Very high91.5Very high0 Ų043.1 Ų43.10%024%0.243CC..Hα-helixtrans-65.6-47.9176.200000111N302 T306 L307 I308 G356 W357 M360N302-A304 VanDerWaalsContact C-N 3.29Å; N302-A304 PolarHBondContact O-N 3.12Å; A304-T306 VanDerWaalsContact C-N 3.32Å; A304-T306 PolarHBondContact O-N 3.35Å; A304-L307 PolarHBondContact O-N 3.19Å; A304-I308 WeakPolarHBondContact O-CG1 3.45Å; A304-I308 PolarHBondContact O-N 2.9Å; A304-G356 VanDerWaalsContact CB-C 3.49Å; A304-W357 HydrophobicContact CB-CB 4.43Å; A304-M360 HydrophobicContact CB-CE 4.31Å; A304-M360 HydrophobicContact CB-SD 4.25Å
305D93.9Very high91.5Very high88 Ų8842.4 Ų42.447%0.47124%0.239SC..Hα-helixtrans-65.7-38.9179-57.1-32.7000111.1N302 L307 I308 L309N302-D305 PolarHBondContact O-N 2.88Å; D305-L307 VanDerWaalsContact C-N 3.34Å; D305-L307 PolarHBondContact O-N 3.37Å; D305-I308 PolarHBondContact O-N 3.29Å; D305-L309 WeakPolarHBondContact O-CB 3.32Å; D305-L309 PolarHBondContact O-N 3.23Å
306T94.8Very high91.7Very high12 Ų1247 Ų477%0.07426%0.257CS..Hα-helixtrans-66.9-35.7176.8-54.40000111.7L294 L298 N302 A304 L309 A310 L318L294-T306 HydrophobicContact CB-CG2 4.38Å; L298-T306 HydrophobicContact CD2-CG2 3.72Å; N302-T306 WeakPolarHBondContact O-CB 3.5Å; N302-T306 PolarHBondContact O-N 3.38Å; N302-T306 PolarHBondContact O-OG1 2.65Å; A304-T306 VanDerWaalsContact C-N 3.32Å; A304-T306 PolarHBondContact O-N 3.35Å; T306-L309 PolarHBondContact O-N 2.82Å; T306-A310 VanDerWaalsContact O-CB 3.29Å; T306-A310 WeakPolarHBondContact O-CB 3.48Å; T306-A310 PolarHBondContact O-N 2.92Å; T306-L318 HydrophobicContact CG2-CD1 3.88Å; T306-L318 HydrophobicContact CG2-CD2 3.9Å; T306-L318 HydrophobicContact CG2-CG 4.05Å
307L95.1Very high91.9Very high0 Ų046.9 Ų46.90%025%0.253CS..Hα-helixtrans-66.8-42.1175.3179.559.8000111.6V303 A304 D305 A310 D311 K319 A322 I323 I326 M360 L367V303-L307 VanDerWaalsContact O-CB 3.29Å; V303-L307 WeakPolarHBondContact O-CB 3.31Å; V303-L307 PolarHBondContact O-N 3.15Å; A304-L307 PolarHBondContact O-N 3.19Å; D305-L307 VanDerWaalsContact C-N 3.34Å; D305-L307 PolarHBondContact O-N 3.37Å; L307-A310 PolarHBondContact O-N 3.23Å; L307-D311 PolarHBondContact O-N 3.41Å; L307-K319 HydrophobicContact CD1-CB 4.48Å; L307-K319 HydrophobicContact CD1-CG 3.74Å; L307-A322 HydrophobicContact CB-CB 4.16Å; L307-A322 HydrophobicContact CD1-CB 4.1Å; L307-I323 HydrophobicContact CD1-CD1 4.3Å; L307-I323 HydrophobicContact CD1-CG1 3.85Å; L307-I323 HydrophobicContact CD2-CG1 4.27Å; L307-I326 HydrophobicContact CD2-CD1 3.64Å; L307-M360 HydrophobicContact CB-SD 4.49Å; L307-M360 HydrophobicContact CD2-CE 4.24Å; L307-M360 HydrophobicContact CD2-SD 4Å; L307-M360 HydrophobicContact CG-SD 4.46Å; L307-L367 HydrophobicContact CD2-CB 4.19Å; L307-L367 HydrophobicContact CG-CD1 4.26Å; L307-L367 HydrophobicContact CG-CD2 4.44Å
308I95.8Very high92.4Very high30 Ų3044 Ų4415%0.15423%0.232CC..Hα-helixtrans-61.3-47.9174.5-66.3165.4000109.9A304 D305 A310 D311 L312 M360 L367A304-I308 WeakPolarHBondContact O-CG1 3.45Å; A304-I308 PolarHBondContact O-N 2.9Å; D305-I308 PolarHBondContact O-N 3.29Å; I308-A310 VanDerWaalsContact C-N 3.29Å; I308-A310 PolarHBondContact O-N 2.73Å; I308-D311 PolarHBondContact O-N 2.77Å; I308-L312 WeakPolarHBondContact O-CB 3.48Å; I308-L312 PolarHBondContact O-N 3.07Å; I308-M360 HydrophobicContact CD1-CB 4.03Å; I308-M360 HydrophobicContact CD1-CG 3.9Å; I308-M360 HydrophobicContact CD1-SD 4.35Å; I308-M360 HydrophobicContact CG1-CG 3.96Å; I308-M360 HydrophobicContact CG1-SD 4.01Å; I308-L367 HydrophobicContact CB-CD1 4.48Å; I308-L367 HydrophobicContact CG1-CD1 3.93Å
309L95.8Very high92.8Very high35 Ų3543.5 Ų43.518%0.18323%0.229CC..Hα-helixtrans-59.3-41.9178.2-17473.2000111.7D272 L275 L294 D305 T306 L312 H313D272-L309 HydrophobicContact CB-CD2 3.78Å; L275-L309 HydrophobicContact CD2-CD2 4.13Å; L275-L309 HydrophobicContact CD2-CG 4.14Å; L294-L309 HydrophobicContact CD1-CD2 3.97Å; D305-L309 WeakPolarHBondContact O-CB 3.32Å; D305-L309 PolarHBondContact O-N 3.23Å; T306-L309 PolarHBondContact O-N 2.82Å; L309-L312 PolarHBondContact O-N 2.73Å; L309-H313 PolarHBondContact O-CD2 2.87Å; L309-H313 PolarHBondContact O-N 3.36Å; L309-H313 VanDerWaalsContact O-N 3.11Å
310A95.9Very high93Very high0 Ų044 Ų440%024%0.236CC..Hα-helixtrans-65.8-39.6178.900000112.4T306 L307 I308 S314 A315 L318 K319T306-A310 VanDerWaalsContact O-CB 3.29Å; T306-A310 WeakPolarHBondContact O-CB 3.48Å; T306-A310 PolarHBondContact O-N 2.92Å; L307-A310 PolarHBondContact O-N 3.23Å; I308-A310 VanDerWaalsContact C-N 3.29Å; I308-A310 PolarHBondContact O-N 2.73Å; A310-S314 PolarHBondContact O-N 3.48Å; A310-A315 HydrophobicContact CB-CB 4.17Å; A310-A315 PolarHBondContact O-N 3.43Å; A310-L318 HydrophobicContact CB-CB 4.1Å; A310-L318 HydrophobicContact CB-CD2 3.93Å; A310-L318 HydrophobicContact CB-CG 3.88Å; A310-K319 HydrophobicContact CB-CB 3.92Å
311D95.7Very high93Very high46 Ų4646.2 Ų46.225%0.24624%0.244CC..Hα-helixtrans-66-45.4174.5-166.365.6000111.5L307 I308 H313 S314 K319 H366 L367L307-D311 PolarHBondContact O-N 3.41Å; I308-D311 PolarHBondContact O-N 2.77Å; D311-H313 VanDerWaalsContact C-N 3.28Å; D311-H313 PolarHBondContact O-N 3.1Å; D311-S314 PolarHBondContact O-N 2.83Å; D311-K319 IonicContact OD1-NZ 2.76Å; D311-K319 PolarHBondContact OD1-NZ 3.46Å; D311-H366 IonicContact OD2-CD2 3.34Å; D311-H366 IonicContact OD2-CE1 3.74Å; D311-H366 IonicContact OD2-NE2 3.52Å; D311-H366 PolarHBondContact OD2-NE2 3.41Å; D311-L367 HydrophobicContact CB-CD1 4.14Å; D311-L367 HydrophobicContact CB-CD2 3.8Å
312L95.4Very high93.1Very high119 Ų11941.4 Ų41.462%0.62322%0.222SC*.Hα-helixtrans-58.9-39.2-178.8-178.562.5000112.4I308 L309I308-L312 WeakPolarHBondContact O-CB 3.48Å; I308-L312 PolarHBondContact O-N 3.07Å; L309-L312 PolarHBondContact O-N 2.73Å
313H95.5Very high92.9Very high28 Ų2839.8 Ų39.813%0.1321%0.213CC..THydrogen-bonded Turntrans-103.820.2-178.2-62.2-55.9000113.3L275 A276 D279 K287 L309 D311 A315L275-H313 HydrophobicContact CD2-CB 4.31Å; L275-H313 HydrophobicContact CG-CB 4.18Å; A276-H313 WeakPolarHBondContact CB-CE1 3.35Å; A276-H313 WeakPolarHBondContact CB-NE2 3.42Å; D279-H313 HydrophobicContact CB-CB 4.07Å; D279-H313 VanDerWaalsContact CG-O 3.32Å; D279-H313 WeakPolarHBondContact OD2-CA 3.17Å; D279-H313 IonicContact OD2-ND1 3.77Å; K287-H313 WeakPolarHBondContact CE-O 3.11Å; K287-H313 PolarHBondContact NZ-O 3.47Å; L309-H313 PolarHBondContact O-CD2 2.87Å; L309-H313 PolarHBondContact O-N 3.36Å; L309-H313 VanDerWaalsContact O-N 3.11Å; D311-H313 VanDerWaalsContact C-N 3.28Å; D311-H313 PolarHBondContact O-N 3.1Å; H313-A315 PolarHBondContact O-N 2.78Å
314S93.6Very high92.4Very high70 Ų7042.1 Ų42.149%0.4923%0.226SC..THydrogen-bonded Turntrans47.142.1178.2-54.90000113.1K287 A310 D311 E316K287-S314 WeakPolarHBondContact CE-O 3.22Å; K287-S314 PolarHBondContact NZ-O 3.48Å; A310-S314 PolarHBondContact O-N 3.48Å; D311-S314 PolarHBondContact O-N 2.83Å; S314-E316 PolarHBondContact O-N 3.28Å
315A94.3Very high91.9Very high0 Ų044.3 Ų44.30%024%0.235CC..  trans-92.677.6-177.600000109.3L275 E291 A310 H313 Q317 L318 K319L275-A315 HydrophobicContact CD1-CB 4.29Å; L275-A315 HydrophobicContact CD2-CB 4.24Å; E291-A315 HydrophobicContact CG-CB 3.81Å; A310-A315 HydrophobicContact CB-CB 4.17Å; A310-A315 PolarHBondContact O-N 3.43Å; H313-A315 PolarHBondContact O-N 2.78Å; A315-Q317 VanDerWaalsContact C-N 3.34Å; A315-Q317 PolarHBondContact O-N 2.89Å; A315-L318 HydrophobicContact CB-CB 4.25Å; A315-L318 PolarHBondContact O-N 2.82Å; A315-K319 WeakPolarHBondContact O-CB 3.44Å; A315-K319 PolarHBondContact O-N 3.23Å
316E91.9Very high91.2Very high124 Ų12440.3 Ų40.358%0.57921%0.214SC*.Hα-helixtrans-63.1-35.3-167.3-65.8-63.2164.200113.7S314 A320S314-E316 PolarHBondContact O-N 3.28Å; E316-A320 WeakPolarHBondContact O-CB 3.42Å; E316-A320 PolarHBondContact O-N 2.8Å
317Q90.5Very high90.3Very high117 Ų11740.7 Ų40.755%0.54722%0.215SC..Hα-helixtrans-71.5-45.2-179.5-54.2-175.450.100110.1E291 A315 A320 Q321E291-Q317 WeakPolarHBondContact OE2-CA 3.36Å; E291-Q317 VanDerWaalsContact OE2-CB 3.26Å; E291-Q317 WeakPolarHBondContact OE2-CB 3.39Å; E291-Q317 PolarHBondContact OE2-N 2.9Å; E291-Q317 VanDerWaalsContact OE2-N 3.07Å; A315-Q317 VanDerWaalsContact C-N 3.34Å; A315-Q317 PolarHBondContact O-N 2.89Å; Q317-A320 PolarHBondContact O-N 3.16Å; Q317-Q321 WeakPolarHBondContact O-CG 3.49Å; Q317-Q321 PolarHBondContact O-N 2.82Å
318L93.3Very high88.9Confident2 Ų243 Ų431%0.0122%0.224CC..Hα-helixtrans-61.5-44.1175.3-178.960.6000111.7L275 E291 L294 C295 T306 A310 A315 A320 Q321 A322L275-L318 HydrophobicContact CD2-CD2 4.32Å; E291-L318 HydrophobicContact CB-CB 3.95Å; E291-L318 HydrophobicContact CG-CB 3.81Å; E291-L318 PolarHBondContact OE2-N 2.86Å; L294-L318 HydrophobicContact CB-CD1 3.88Å; L294-L318 HydrophobicContact CB-CD2 3.78Å; L294-L318 HydrophobicContact CD1-CD2 3.64Å; L294-L318 HydrophobicContact CG-CD2 4.37Å; C295-L318 HydrophobicContact CB-CD1 4Å; T306-L318 HydrophobicContact CG2-CD1 3.88Å; T306-L318 HydrophobicContact CG2-CD2 3.9Å; T306-L318 HydrophobicContact CG2-CG 4.05Å; A310-L318 HydrophobicContact CB-CB 4.1Å; A310-L318 HydrophobicContact CB-CD2 3.93Å; A310-L318 HydrophobicContact CB-CG 3.88Å; A315-L318 HydrophobicContact CB-CB 4.25Å; A315-L318 PolarHBondContact O-N 2.82Å; L318-A320 PolarHBondContact O-N 3.02Å; L318-Q321 PolarHBondContact O-N 3.18Å; L318-A322 WeakPolarHBondContact O-CB 3.44Å; L318-A322 PolarHBondContact O-N 3.05Å
319K94.6Very high87.5Confident16 Ų1643.4 Ų43.47%0.0723%0.229CC..Hα-helixtrans-57.1-48.5176.9-177.1173.5179.3179.70111.4L307 A310 D311 A315 Q321 A322 I323 E370L307-K319 HydrophobicContact CD1-CB 4.48Å; L307-K319 HydrophobicContact CD1-CG 3.74Å; A310-K319 HydrophobicContact CB-CB 3.92Å; D311-K319 IonicContact OD1-NZ 2.76Å; D311-K319 PolarHBondContact OD1-NZ 3.46Å; A315-K319 WeakPolarHBondContact O-CB 3.44Å; A315-K319 PolarHBondContact O-N 3.23Å; K319-Q321 PolarHBondContact O-N 2.85Å; K319-A322 PolarHBondContact O-N 3.13Å; K319-I323 HydrophobicContact CG-CD1 4.15Å; K319-I323 WeakPolarHBondContact O-CG1 3.46Å; K319-I323 PolarHBondContact O-N 3.4Å; K319-E370 VanDerWaalsContact CE-CD 3.45Å; K319-E370 VanDerWaalsContact CE-OE1 3.27Å; K319-E370 WeakPolarHBondContact CE-OE1 3.29Å; K319-E370 WeakPolarHBondContact CE-OE2 3.39Å; K319-E370 IonicContact NZ-OE1 2.66Å; K319-E370 PolarHBondContact NZ-OE1 3.33Å; K319-E370 IonicContact NZ-OE2 2.57Å; K319-E370 PolarHBondContact NZ-OE2 3.41Å
320A89.6Confident85.4Confident55 Ų5542.9 Ų42.946%0.45523%0.229SC..Hα-helixtrans-61.5-42.4177.300000112.5E316 Q317 L318 D324E316-A320 WeakPolarHBondContact O-CB 3.42Å; E316-A320 PolarHBondContact O-N 2.8Å; Q317-A320 PolarHBondContact O-N 3.16Å; L318-A320 PolarHBondContact O-N 3.02Å; A320-D324 WeakPolarHBondContact O-CB 2.97Å; A320-D324 PolarHBondContact O-N 3.11Å
321Q86.2Confident83.1Confident81 Ų8144.3 Ų44.338%0.37924%0.237SC..Hα-helixtrans-67.2-38177.4-67.4-58.5-47.200112.5Q317 L318 K319 D324 F325Q317-Q321 WeakPolarHBondContact O-CG 3.49Å; Q317-Q321 PolarHBondContact O-N 2.82Å; L318-Q321 PolarHBondContact O-N 3.18Å; K319-Q321 PolarHBondContact O-N 2.85Å; Q321-D324 PolarHBondContact O-N 3.5Å; Q321-F325 WeakPolarHBondContact O-CB 3.48Å; Q321-F325 PolarHBondContact O-N 3.43Å
322A88.4Confident80.5Confident0 Ų047 Ų470%025%0.251CS..Hα-helixtrans-66-44.1176.400000111.6V303 L307 L318 K319 F325 I326V303-A322 HydrophobicContact CG2-CB 4.07Å; L307-A322 HydrophobicContact CB-CB 4.16Å; L307-A322 HydrophobicContact CD1-CB 4.1Å; L318-A322 WeakPolarHBondContact O-CB 3.44Å; L318-A322 PolarHBondContact O-N 3.05Å; K319-A322 PolarHBondContact O-N 3.13Å; A322-F325 WeakPolarHBondContact O-CB 3.45Å; A322-F325 PolarHBondContact O-N 2.92Å; A322-I326 WeakPolarHBondContact O-CD1 2.78Å; A322-I326 WeakPolarHBondContact O-CG1 3.27Å; A322-I326 PolarHBondContact O-N 2.91Å
323I87.1Confident77.9Confident12 Ų1248.5 Ų48.56%0.06225%0.249CC..Hα-helixtrans-61.7-44.8174.8-70.6170.6000111.3L307 K319 F325 I326 N327 E370 A371 A374L307-I323 HydrophobicContact CD1-CD1 4.3Å; L307-I323 HydrophobicContact CD1-CG1 3.85Å; L307-I323 HydrophobicContact CD2-CG1 4.27Å; K319-I323 HydrophobicContact CG-CD1 4.15Å; K319-I323 WeakPolarHBondContact O-CG1 3.46Å; K319-I323 PolarHBondContact O-N 3.4Å; I323-F325 VanDerWaalsContact C-N 3.31Å; I323-F325 PolarHBondContact O-N 3.15Å; I323-I326 PolarHBondContact O-N 3.38Å; I323-N327 WeakPolarHBondContact O-CB 3.38Å; I323-N327 PolarHBondContact O-N 3.12Å; I323-N327 PolarHBondContact O-ND2 3.22Å; I323-E370 HydrophobicContact CD1-CG 4.07Å; I323-A371 HydrophobicContact CG2-CB 4.38Å; I323-A374 HydrophobicContact CG2-CB 3.65Å
324D80.8Confident75Confident50 Ų5054.1 Ų54.127%0.26728%0.275SS..Hα-helixtrans-61.7-39.5175.6173.857.9000111.5A320 Q321 N327 R328A320-D324 WeakPolarHBondContact O-CB 2.97Å; A320-D324 PolarHBondContact O-N 3.11Å; Q321-D324 PolarHBondContact O-N 3.5Å; D324-N327 PolarHBondContact O-N 3.35Å; D324-R328 VanDerWaalsContact CG-CZ 3.45Å; D324-R328 VanDerWaalsContact CG-NH2 3.25Å; D324-R328 VanDerWaalsContact O-CG 3.32Å; D324-R328 WeakPolarHBondContact O-CG 3.36Å; D324-R328 PolarHBondContact O-N 3.2Å; D324-R328 IonicContact OD1-CZ 2.87Å; D324-R328 IonicContact OD1-NE 3.15Å; D324-R328 IonicContact OD1-NH1 3.05Å; D324-R328 IonicContact OD1-NH2 2.61Å; D324-R328 PolarHBondContact OD1-NH2 3.42Å; D324-R328 VanDerWaalsContact OD1-NH2 3.09Å; D324-R328 IonicContact OD2-CZ 3.89Å; D324-R328 IonicContact OD2-NE 2.61Å; D324-R328 IonicContact OD2-NH1 3.86Å; D324-R328 PolarHBondContact OD2-NH1 2.7Å; D324-R328 IonicContact OD2-NH2 3.06Å; D324-R328 PolarHBondContact OD2-NH2 3.1Å
325F80.7Confident72.4Confident45 Ų4557.2 Ų57.220%0.19729%0.285CS..Hα-helixtrans-61.3-48.5173-173.1-83.5000112L298 V303 Q321 A322 I323 N327 R328 C329 I351L298-F325 HydrophobicContact CB-CD2 4.3Å; L298-F325 HydrophobicContact CB-CE2 4.45Å; L298-F325 HydrophobicContact CD1-CB 4.42Å; V303-F325 HydrophobicContact CB-CD1 4.04Å; V303-F325 HydrophobicContact CB-CE1 4.33Å; V303-F325 HydrophobicContact CG1-CD1 4.19Å; V303-F325 HydrophobicContact CG1-CE1 4.31Å; V303-F325 HydrophobicContact CG2-CB 4.37Å; V303-F325 HydrophobicContact CG2-CD1 3.83Å; V303-F325 HydrophobicContact CG2-CG 4.42Å; Q321-F325 WeakPolarHBondContact O-CB 3.48Å; Q321-F325 PolarHBondContact O-N 3.43Å; A322-F325 WeakPolarHBondContact O-CB 3.45Å; A322-F325 PolarHBondContact O-N 2.92Å; I323-F325 VanDerWaalsContact C-N 3.31Å; I323-F325 PolarHBondContact O-N 3.15Å; F325-N327 VanDerWaalsContact C-N 3.33Å; F325-N327 PolarHBondContact O-N 2.61Å; F325-R328 PolarHBondContact O-N 3.35Å; F325-C329 PolarHBondContact O-N 2.76Å; F325-I351 HydrophobicContact CD1-CD1 4.18Å; F325-I351 HydrophobicContact CE1-CD1 4.16Å
326I81.1Confident69.6Low4 Ų458.5 Ų58.52%0.02130%0.298CS..Hα-helixtrans-56.1-49176.9-71.6155.9000110.7V303 L307 A322 I323 R328 C329 S330 I351 W357V303-I326 HydrophobicContact CG1-CG1 4.13Å; V303-I326 HydrophobicContact CG2-CD1 4Å; V303-I326 HydrophobicContact CG2-CG1 3.73Å; L307-I326 HydrophobicContact CD2-CD1 3.64Å; A322-I326 WeakPolarHBondContact O-CD1 2.78Å; A322-I326 WeakPolarHBondContact O-CG1 3.27Å; A322-I326 PolarHBondContact O-N 2.91Å; I323-I326 PolarHBondContact O-N 3.38Å; I326-R328 VanDerWaalsContact C-N 3.31Å; I326-R328 PolarHBondContact O-N 3.15Å; I326-C329 PolarHBondContact O-N 2.84Å; I326-C329 VanDerWaalsContact O-N 3.15Å; I326-S330 WeakPolarHBondContact O-CB 3.37Å; I326-S330 PolarHBondContact O-N 3.44Å; I326-S330 PolarHBondContact O-OG 2.66Å; I326-S330 VanDerWaalsContact O-OG 3.09Å; I326-I351 HydrophobicContact CB-CD1 4.49Å; I326-I351 HydrophobicContact CG1-CD1 4.28Å; I326-W357 HydrophobicContact CD1-CZ3 3.89Å; I326-W357 HydrophobicContact CG1-CZ3 4.09Å; I326-W357 HydrophobicContact CG2-CH2 3.78Å; I326-W357 HydrophobicContact CG2-CZ3 3.63Å
327N74.4Confident66.9Low20 Ų2056.7 Ų56.711%0.10730%0.299CS..Hα-helixtrans-64.2-34.4-178.2-74.2-22.3000112.6I323 D324 F325 C329 S330 V331 A371 L375I323-N327 WeakPolarHBondContact O-CB 3.38Å; I323-N327 PolarHBondContact O-N 3.12Å; I323-N327 PolarHBondContact O-ND2 3.22Å; D324-N327 PolarHBondContact O-N 3.35Å; F325-N327 VanDerWaalsContact C-N 3.33Å; F325-N327 PolarHBondContact O-N 2.61Å; N327-C329 VanDerWaalsContact C-N 3.34Å; N327-S330 WeakPolarHBondContact CA-OG 3.48Å; N327-S330 PolarHBondContact O-OG 3.39Å; N327-V331 VanDerWaalsContact O-CB 3.27Å; N327-V331 WeakPolarHBondContact O-CB 3.39Å; N327-V331 WeakPolarHBondContact O-CG2 3.48Å; N327-V331 PolarHBondContact O-N 3.08Å; N327-V331 VanDerWaalsContact O-N 3.11Å; N327-A371 PolarHBondContact ND2-O 2.84Å; N327-A371 PolarHBondContact OD1-O 2.92Å; N327-L375 HydrophobicContact CB-CD1 4.29Å; N327-L375 PolarHBondContact ND2-N 2.94Å
328R66.6Low64.4Low48 Ų4861.2 Ų61.218%0.18132%0.316CS..Hα-helixtrans-66.7-34.9174.4-75.1-176-176.2126.69.5113.4N61 K62 D324 F325 I326N61-R328 WeakPolarHBondContact OD1-CD 3.49Å; N61-R328 VanDerWaalsContact OD1-CG 3.27Å; N61-R328 WeakPolarHBondContact OD1-CG 3.23Å; K62-R328 VanDerWaalsContact CE-NH1 3.33Å; K62-R328 VanDerWaalsContact CG-CZ 3.46Å; D324-R328 VanDerWaalsContact CG-CZ 3.45Å; D324-R328 VanDerWaalsContact CG-NH2 3.25Å; D324-R328 VanDerWaalsContact O-CG 3.32Å; D324-R328 WeakPolarHBondContact O-CG 3.36Å; D324-R328 PolarHBondContact O-N 3.2Å; D324-R328 IonicContact OD1-CZ 2.87Å; D324-R328 IonicContact OD1-NE 3.15Å; D324-R328 IonicContact OD1-NH1 3.05Å; D324-R328 IonicContact OD1-NH2 2.61Å; D324-R328 PolarHBondContact OD1-NH2 3.42Å; D324-R328 VanDerWaalsContact OD1-NH2 3.09Å; D324-R328 IonicContact OD2-CZ 3.89Å; D324-R328 IonicContact OD2-NE 2.61Å; D324-R328 IonicContact OD2-NH1 3.86Å; D324-R328 PolarHBondContact OD2-NH1 2.7Å; D324-R328 IonicContact OD2-NH2 3.06Å; D324-R328 PolarHBondContact OD2-NH2 3.1Å; F325-R328 PolarHBondContact O-N 3.35Å; I326-R328 VanDerWaalsContact C-N 3.31Å; I326-R328 PolarHBondContact O-N 3.15Å
329C65Low61.7Low39 Ų3967.8 Ų67.826%0.26435%0.352SS..Hα-helixtrans-80-39.4179.3-73.20000112.1F325 I326 N327 I351F325-C329 PolarHBondContact O-N 2.76Å; I326-C329 PolarHBondContact O-N 2.84Å; I326-C329 VanDerWaalsContact O-N 3.15Å; N327-C329 VanDerWaalsContact C-N 3.34Å; C329-I351 HydrophobicContact CB-CD1 3.31Å; C329-I351 HydrophobicContact CB-CG1 3.98Å
330S53.2Low59Low25 Ų2571 Ų7118%0.17539%0.39CS..Hα-helixtrans-76.3-33.3-177.863.70000113.7I326 N327 L332 R333I326-S330 WeakPolarHBondContact O-CB 3.37Å; I326-S330 PolarHBondContact O-N 3.44Å; I326-S330 PolarHBondContact O-OG 2.66Å; I326-S330 VanDerWaalsContact O-OG 3.09Å; N327-S330 WeakPolarHBondContact CA-OG 3.48Å; N327-S330 PolarHBondContact O-OG 3.39Å; S330-L332 PolarHBondContact O-N 2.73Å; S330-R333 WeakPolarHBondContact O-CB 3.48Å; S330-R333 PolarHBondContact O-N 2.79Å
331V47.5Very low56.4Low30 Ų3077.7 Ų77.718%0.18241%0.408CS..Hα-helixtrans-61.8-23.4175.9169.20000112.7N327 R333 Q334 L335 L375N327-V331 VanDerWaalsContact O-CB 3.27Å; N327-V331 WeakPolarHBondContact O-CB 3.39Å; N327-V331 WeakPolarHBondContact O-CG2 3.48Å; N327-V331 PolarHBondContact O-N 3.08Å; N327-V331 VanDerWaalsContact O-N 3.11Å; V331-R333 PolarHBondContact O-N 2.89Å; V331-R333 VanDerWaalsContact O-N 3.16Å; V331-Q334 PolarHBondContact O-N 2.82Å; V331-L335 HydrophobicContact CG1-CD1 4.41Å; V331-L375 HydrophobicContact CG2-CD1 3.29Å
332L40.1Very low53.7Low103 Ų10381 Ų8154%0.53943%0.428SS..Hα-helixtrans-63.7-17.5174.5-66.6170.9000113S330S330-L332 PolarHBondContact O-N 2.73Å
333R40.8Very low51.1Low150 Ų15090.6 Ų90.657%0.56647%0.465SS*.Hα-helixtrans-89.6-34.7178.5-164.1173.9-179.3176.3-2.9113.8S330 V331 L335 G336 D350S330-R333 WeakPolarHBondContact O-CB 3.48Å; S330-R333 PolarHBondContact O-N 2.79Å; V331-R333 PolarHBondContact O-N 2.89Å; V331-R333 VanDerWaalsContact O-N 3.16Å; R333-L335 VanDerWaalsContact C-N 3.27Å; R333-L335 PolarHBondContact O-N 2.86Å; R333-G336 PolarHBondContact O-N 2.77Å; R333-D350 IonicContact CZ-OD2 2.91Å; R333-D350 IonicContact NH1-OD2 2.75Å; R333-D350 PolarHBondContact NH1-OD2 3.15Å
334Q35.6Very low48.4Very low145 Ų14596.7 Ų96.768%0.67850%0.497SS*.Hα-helixtrans-76.7-15.8-173.1-141.7172.812.700113.5V331V331-Q334 PolarHBondContact O-N 2.82Å
335L38.3Very low46.3Very low136 Ų13698.8 Ų98.871%0.71252%0.516SS*.THydrogen-bonded Turntrans-103.45.4176.4-68.7165.7000113.4V331 R333V331-L335 HydrophobicContact CG1-CD1 4.41Å; R333-L335 VanDerWaalsContact C-N 3.27Å; R333-L335 PolarHBondContact O-N 2.86Å
336G36.4Very low43.9Very low27 Ų27102.6 Ų102.628%0.27854%0.538SS..SBendtrans-143.2109.9-17700000115.3R333R333-G336 PolarHBondContact O-N 2.77Å
337C35.4Very low41.8Very low86 Ų86111 Ų11158%0.58158%0.577SS**  trans76.2113.5157.8-70.40000121.1Y24Y24-C337 WeakPolarHBondContact CE2-SG 3.37Å; Y24-C337 PolarHBondContact OH-SG 3.33Å
338K36.3Very low40.1Very low211 Ų211113.3 Ų113.392%0.91760%0.599SS**SBendtrans-86.8-2.7157.2-76-172.5175.1-179.40114
339D37.3Very low39.5Very low141 Ų141114.4 Ų114.475%0.75461%0.611SS**  trans-112.7102.3-177.3-64.1-38.8000112.1K341D339-K341 VanDerWaalsContact C-N 3.26Å; D339-K341 PolarHBondContact O-N 2.71Å
340G38.8Very low39.6Very low84 Ų84114.3 Ų114.387%0.86661%0.608SS**  trans-75.648.1-173.700000116.2
341K33.8Very low40.6Very low195 Ų195113.3 Ų113.385%0.84860%0.601SS**SBendtrans-144.865.2179-65.7-172.6-177.5176.90113.7D339D339-K341 VanDerWaalsContact C-N 3.26Å; D339-K341 PolarHBondContact O-N 2.71Å
342N30.9Very low42Very low149 Ų149115.2 Ų115.280%0.79761%0.608SS**  trans167.574.5145.3-96.2-8.8000109.2
343W32.9Very low44Very low202 Ų202115.1 Ų115.177%0.76561%0.605SS**  trans-101.7102.2153.1-176.1-100.5000106.4S345 A348W343-S345 PolarHBondContact O-N 3.36Å; W343-S345 VanDerWaalsContact O-N 3.1Å; W343-A348 HydrophobicContact CZ2-CB 4.38Å
344N30.8Very low46.1Very low140 Ų140108.2 Ų108.275%0.74958%0.58SS**  trans-61.9117166.9-81.9-6.3000107.2N346N344-N346 PolarHBondContact O-N 2.91Å; N344-N346 VanDerWaalsContact O-N 3.08Å
345S36.5Very low48.6Very low95 Ų95105.1 Ų105.166%0.66458%0.579SS**  trans-40.6111.8166.756.40000110.4W343W343-S345 PolarHBondContact O-N 3.36Å; W343-S345 VanDerWaalsContact O-N 3.1Å
346N30.8Very low50.9Low124 Ų12499.2 Ų99.266%0.66355%0.551SS**SBendtrans-177.8103.7132.9-85.7-11.6000110.4N344N344-N346 PolarHBondContact O-N 2.91Å; N344-N346 VanDerWaalsContact O-N 3.08Å
347H37.3Very low53.3Low181 Ų18198.3 Ų98.384%0.83854%0.539SS*.SBendtrans7548.5148.8-50.9-50.9000120.8
348A38.8Very low55.8Low68 Ų6898.7 Ų98.756%0.56253%0.531SS*.  trans-129.395.5144.700000107.3W343 D350W343-A348 HydrophobicContact CZ2-CB 4.38Å; A348-D350 PolarHBondContact O-N 2.95Å
349T52.3Low58.4Low71 Ų7191.7 Ų91.744%0.43651%0.509SS..  trans-58.6126.91641.70000106.6V300 E301 I351V300-T349 WeakPolarHBondContact CG1-O 3.44Å; E301-T349 WeakPolarHBondContact OE1-CB 3.24Å; E301-T349 PolarHBondContact OE1-OG1 2.75Å; T349-I351 PolarHBondContact O-N 2.86Å
350D68.1Low61Low38 Ų3885 Ų8520%0.20347%0.473CS..  trans-65.2131.8169-175.9-11.1000106.2R333 A348 M352 E353 T354R333-D350 IonicContact CZ-OD2 2.91Å; R333-D350 IonicContact NH1-OD2 2.75Å; R333-D350 PolarHBondContact NH1-OD2 3.15Å; A348-D350 PolarHBondContact O-N 2.95Å; D350-M352 PolarHBondContact O-N 3.35Å; D350-M352 VanDerWaalsContact O-N 3.13Å; D350-M352 PolarHBondContact OD1-N 2.93Å; D350-E353 HydrophobicContact CB-CB 4.3Å; D350-E353 HydrophobicContact CB-CG 3.92Å; D350-E353 WeakPolarHBondContact O-CA 3.38Å; D350-E353 WeakPolarHBondContact O-CB 3.24Å; D350-E353 PolarHBondContact O-N 3.13Å; D350-T354 PolarHBondContact O-N 3.45Å
351I74.3Confident63.3Low4 Ų484.9 Ų84.92%0.02145%0.452CS..G310 helixtrans-53-37176.5-66.4174.7000109V300 V303 F325 I326 C329 T349 E353 T354 W357V300-I351 HydrophobicContact CB-CG1 4.38Å; V300-I351 HydrophobicContact CG1-CG1 3.97Å; V300-I351 HydrophobicContact CG2-CG1 4.34Å; V303-I351 HydrophobicContact CG1-CD1 3.92Å; V303-I351 HydrophobicContact CG1-CG1 4.27Å; V303-I351 HydrophobicContact CG1-CG2 4.03Å; F325-I351 HydrophobicContact CD1-CD1 4.18Å; F325-I351 HydrophobicContact CE1-CD1 4.16Å; I326-I351 HydrophobicContact CB-CD1 4.49Å; I326-I351 HydrophobicContact CG1-CD1 4.28Å; C329-I351 HydrophobicContact CB-CD1 3.31Å; C329-I351 HydrophobicContact CB-CG1 3.98Å; T349-I351 PolarHBondContact O-N 2.86Å; I351-E353 PolarHBondContact O-N 3.06Å; I351-E353 VanDerWaalsContact O-N 3.15Å; I351-T354 PolarHBondContact O-N 2.94Å; I351-T354 VanDerWaalsContact O-N 3.15Å; I351-T354 PolarHBondContact O-OG1 3.17Å; I351-W357 HydrophobicContact CG2-CB 4.32Å; I351-W357 HydrophobicContact CG2-CD2 3.99Å; I351-W357 HydrophobicContact CG2-CE3 3.5Å; I351-W357 VanDerWaalsContact CG2-CE3 3.5Å; I351-W357 HydrophobicContact CG2-CG 4.36Å; I351-W357 HydrophobicContact CG2-CZ3 4.14Å; I351-W357 WeakPolarHBondContact O-CB 3.29Å
352M76.8Confident66Low69 Ų6983.7 Ų83.734%0.3445%0.449SS..G310 helixtrans-64-20.6179.6-62.4-176.264.800114D350 W357D350-M352 PolarHBondContact O-N 3.35Å; D350-M352 VanDerWaalsContact O-N 3.13Å; D350-M352 PolarHBondContact OD1-N 2.93Å; M352-W357 VanDerWaalsContact CA-CD1 3.43Å
353E81.5Confident69Low102 Ų10279.5 Ų79.548%0.47743%0.431SS..G310 helixtrans-91.8-14.5-179.9-65.9-59.5155.500113.4D350 I351 K358D350-E353 HydrophobicContact CB-CB 4.3Å; D350-E353 HydrophobicContact CB-CG 3.92Å; D350-E353 WeakPolarHBondContact O-CA 3.38Å; D350-E353 WeakPolarHBondContact O-CB 3.24Å; D350-E353 PolarHBondContact O-N 3.13Å; I351-E353 PolarHBondContact O-N 3.06Å; I351-E353 VanDerWaalsContact O-N 3.15Å; E353-K358 PolarHBondContact O-NZ 3.16Å; E353-K358 WeakPolarHBondContact OE2-CE 3.5Å; E353-K358 IonicContact OE2-NZ 3.8Å; E353-K358 PolarHBondContact OE2-NZ 2.94Å
354T84.8Confident71.9Confident4 Ų472.7 Ų72.73%0.02541%0.408CS..SBendtrans-65.8148.6179.770.10000111.1V300 D350 I351 G356 W357 K358V300-T354 HydrophobicContact CG1-CG2 3.9Å; D350-T354 PolarHBondContact O-N 3.45Å; I351-T354 PolarHBondContact O-N 2.94Å; I351-T354 VanDerWaalsContact O-N 3.15Å; I351-T354 PolarHBondContact O-OG1 3.17Å; T354-G356 VanDerWaalsContact C-N 3.26Å; T354-G356 PolarHBondContact O-N 3.29Å; T354-W357 PolarHBondContact O-N 2.91Å; T354-W357 WeakPolarHBondContact OG1-CB 3.36Å; T354-W357 PolarHBondContact OG1-N 2.71Å; T354-K358 PolarHBondContact O-N 2.84Å; T354-K358 VanDerWaalsContact O-N 3.12Å
355A87.8Confident74.7Confident81 Ų8169.9 Ų69.967%0.66940%0.397SS*.Hα-helixtrans-60.7-39.8176.600000111.1W357 K358 S359A355-W357 PolarHBondContact O-N 3.45Å; A355-K358 PolarHBondContact O-N 3.05Å; A355-S359 WeakPolarHBondContact O-CB 3.41Å; A355-S359 PolarHBondContact O-N 3.5Å
356G87.2Confident77.4Confident12 Ų1269.6 Ų69.612%0.12439%0.386CS..Hα-helixtrans-58.8-46.9176.900000112.4A304 T354 S359 M360A304-G356 VanDerWaalsContact CB-C 3.49Å; T354-G356 VanDerWaalsContact C-N 3.26Å; T354-G356 PolarHBondContact O-N 3.29Å; G356-S359 WeakPolarHBondContact O-CB 3.48Å; G356-S359 PolarHBondContact O-N 3.06Å; G356-M360 WeakPolarHBondContact O-CB 3.42Å; G356-M360 PolarHBondContact O-N 2.94Å
357W86.8Confident80.2Confident8 Ų863.7 Ų63.73%0.0335%0.354CS..Hα-helixtrans-65-45177.6-178.3-88.4000112.9A304 I326 I351 M352 T354 A355 S359 M360 I361 V368A304-W357 HydrophobicContact CB-CB 4.43Å; I326-W357 HydrophobicContact CD1-CZ3 3.89Å; I326-W357 HydrophobicContact CG1-CZ3 4.09Å; I326-W357 HydrophobicContact CG2-CH2 3.78Å; I326-W357 HydrophobicContact CG2-CZ3 3.63Å; I351-W357 HydrophobicContact CG2-CB 4.32Å; I351-W357 HydrophobicContact CG2-CD2 3.99Å; I351-W357 HydrophobicContact CG2-CE3 3.5Å; I351-W357 VanDerWaalsContact CG2-CE3 3.5Å; I351-W357 HydrophobicContact CG2-CG 4.36Å; I351-W357 HydrophobicContact CG2-CZ3 4.14Å; I351-W357 WeakPolarHBondContact O-CB 3.29Å; M352-W357 VanDerWaalsContact CA-CD1 3.43Å; T354-W357 PolarHBondContact O-N 2.91Å; T354-W357 WeakPolarHBondContact OG1-CB 3.36Å; T354-W357 PolarHBondContact OG1-N 2.71Å; A355-W357 PolarHBondContact O-N 3.45Å; W357-S359 VanDerWaalsContact C-N 3.27Å; W357-S359 PolarHBondContact O-N 3.04Å; W357-M360 HydrophobicContact CD2-CE 4.04Å; W357-M360 HydrophobicContact CE3-CE 3.34Å; W357-M360 HydrophobicContact CH2-CE 4.1Å; W357-M360 HydrophobicContact CZ3-CE 3.38Å; W357-M360 WeakPolarHBondContact O-CB 3.43Å; W357-M360 PolarHBondContact O-N 2.76Å; W357-M360 VanDerWaalsContact O-N 3.12Å; W357-I361 WeakPolarHBondContact O-CG1 3.48Å; W357-I361 PolarHBondContact O-N 2.82Å; W357-V368 HydrophobicContact CZ2-CG1 4.35Å
358K88.3Confident82.5Confident93 Ų9356 Ų5640%0.40432%0.32SS..Hα-helixtrans-60.2-39.6177.3-73.1170.9177.4156.10111.5E353 T354 A355E353-K358 PolarHBondContact O-NZ 3.16Å; E353-K358 WeakPolarHBondContact OE2-CE 3.5Å; E353-K358 IonicContact OE2-NZ 3.8Å; E353-K358 PolarHBondContact OE2-NZ 2.94Å; T354-K358 PolarHBondContact O-N 2.84Å; T354-K358 VanDerWaalsContact O-N 3.12Å; A355-K358 PolarHBondContact O-N 3.05Å
359S91.4Very high84.6Confident65 Ų6554.9 Ų54.946%0.45531%0.311SS..Hα-helixtrans-64.8-42.7173.1-174.70000112A355 G356 W357 I361 Q362 S363A355-S359 WeakPolarHBondContact O-CB 3.41Å; A355-S359 PolarHBondContact O-N 3.5Å; G356-S359 WeakPolarHBondContact O-CB 3.48Å; G356-S359 PolarHBondContact O-N 3.06Å; W357-S359 VanDerWaalsContact C-N 3.27Å; W357-S359 PolarHBondContact O-N 3.04Å; S359-I361 PolarHBondContact O-N 2.77Å; S359-Q362 PolarHBondContact O-N 2.78Å; S359-Q362 VanDerWaalsContact O-N 3.15Å; S359-S363 WeakPolarHBondContact O-CB 3.45Å; S359-S363 PolarHBondContact O-N 3.2Å; S359-S363 PolarHBondContact O-OG 2.97Å
360M90.8Very high86.1Confident0 Ų054.4 Ų54.40%030%0.303CS..Hα-helixtrans-63.4-37.4179.4-171.8175.366.900112.7A304 L307 I308 G356 W357 Q362 S363 H364 L367 V368A304-M360 HydrophobicContact CB-CE 4.31Å; A304-M360 HydrophobicContact CB-SD 4.25Å; L307-M360 HydrophobicContact CB-SD 4.49Å; L307-M360 HydrophobicContact CD2-CE 4.24Å; L307-M360 HydrophobicContact CD2-SD 4Å; L307-M360 HydrophobicContact CG-SD 4.46Å; I308-M360 HydrophobicContact CD1-CB 4.03Å; I308-M360 HydrophobicContact CD1-CG 3.9Å; I308-M360 HydrophobicContact CD1-SD 4.35Å; I308-M360 HydrophobicContact CG1-CG 3.96Å; I308-M360 HydrophobicContact CG1-SD 4.01Å; G356-M360 WeakPolarHBondContact O-CB 3.42Å; G356-M360 PolarHBondContact O-N 2.94Å; W357-M360 HydrophobicContact CD2-CE 4.04Å; W357-M360 HydrophobicContact CE3-CE 3.34Å; W357-M360 HydrophobicContact CH2-CE 4.1Å; W357-M360 HydrophobicContact CZ3-CE 3.38Å; W357-M360 WeakPolarHBondContact O-CB 3.43Å; W357-M360 PolarHBondContact O-N 2.76Å; W357-M360 VanDerWaalsContact O-N 3.12Å; M360-Q362 PolarHBondContact O-N 2.8Å; M360-S363 WeakPolarHBondContact CA-OG 3.33Å; M360-S363 PolarHBondContact O-N 2.81Å; M360-H364 HydrophobicContact CG-CB 4.21Å; M360-H364 CarbonylContact O-C 3.56Å; M360-H364 VanDerWaalsContact O-C 3.28Å; M360-H364 WeakPolarHBondContact O-CA 3.42Å; M360-H364 PolarHBondContact O-N 2.84Å; M360-L367 HydrophobicContact SD-CB 4.24Å; M360-L367 HydrophobicContact SD-CD1 4.3Å; M360-V368 HydrophobicContact CE-CG2 4.09Å
361I88.3Confident86.8Confident82 Ų8252.7 Ų52.742%0.42129%0.294SS..Hα-helixtrans-56.6-39.2175-68.7165.7000111.3W357 S359 V368W357-I361 WeakPolarHBondContact O-CG1 3.48Å; W357-I361 PolarHBondContact O-N 2.82Å; S359-I361 PolarHBondContact O-N 2.77Å; I361-V368 HydrophobicContact CG1-CG2 4.03Å
362Q90Very high87Confident169 Ų16957.5 Ų57.579%0.7932%0.315SS*.Hα-helixtrans-82.2-41-177.3-62.4-179.44.200112S359 M360S359-Q362 PolarHBondContact O-N 2.78Å; S359-Q362 VanDerWaalsContact O-N 3.15Å; M360-Q362 PolarHBondContact O-N 2.8Å
363S92.8Very high86.8Confident61 Ų6162.1 Ų62.143%0.42733%0.329SS..Hα-helixtrans-86.7-36.2-173.256.10000114S359 M360S359-S363 WeakPolarHBondContact O-CB 3.45Å; S359-S363 PolarHBondContact O-N 3.2Å; S359-S363 PolarHBondContact O-OG 2.97Å; M360-S363 WeakPolarHBondContact CA-OG 3.33Å; M360-S363 PolarHBondContact O-N 2.81Å
364H93.7Very high86.4Confident59 Ų5958.9 Ų58.927%0.27332%0.32SS..  trans-137.263.8-172.6-59.979.1000111.5M360 H366 L367M360-H364 HydrophobicContact CG-CB 4.21Å; M360-H364 CarbonylContact O-C 3.56Å; M360-H364 VanDerWaalsContact O-C 3.28Å; M360-H364 WeakPolarHBondContact O-CA 3.42Å; M360-H364 PolarHBondContact O-N 2.84Å; H364-H366 AromaticContact CD2-CE1 3.85Å; H364-H366 PolarHBondContact O-N 3.37Å; H364-H366 VanDerWaalsContact O-N 3.14Å; H364-L367 HydrophobicContact CB-CB 4.47Å; H364-L367 HydrophobicContact CB-CD1 3.72Å; H364-L367 HydrophobicContact CB-CG 4.1Å; H364-L367 PolarHBondContact O-N 2.88Å; H364-L367 VanDerWaalsContact O-N 3.14Å
365P91.3Very high85.6Confident81 Ų8159.7 Ų59.753%0.52632%0.324SS..Hα-helixtrans-62.8-22.8-175.425.4-35.1000113.8L367 V368 A369P365-L367 VanDerWaalsContact C-N 3.35Å; P365-V368 PolarHBondContact O-N 3.08Å; P365-A369 PolarHBondContact O-N 2.86Å; P365-A369 VanDerWaalsContact O-N 3.13Å
366H91.8Very high84.3Confident90 Ų9058.5 Ų58.542%0.41731%0.314SS..Hα-helixtrans-65.6-36.1176.363.8-71.3000112.5D311 H364 V368 A369 E370D311-H366 IonicContact OD2-CD2 3.34Å; D311-H366 IonicContact OD2-CE1 3.74Å; D311-H366 IonicContact OD2-NE2 3.52Å; D311-H366 PolarHBondContact OD2-NE2 3.41Å; H364-H366 AromaticContact CD2-CE1 3.85Å; H364-H366 PolarHBondContact O-N 3.37Å; H364-H366 VanDerWaalsContact O-N 3.14Å; H366-V368 VanDerWaalsContact C-N 3.34Å; H366-A369 WeakPolarHBondContact O-CB 3.2Å; H366-A369 PolarHBondContact O-N 3.17Å; H366-E370 WeakPolarHBondContact O-CB 3.26Å; H366-E370 PolarHBondContact O-N 2.82Å
367L89.9Confident83.1Confident0 Ų062 Ų620%034%0.336CS..Hα-helixtrans-66.2-39.1177.8-66.3178.6000111.8L307 I308 D311 M360 H364 P365 E370 A371L307-L367 HydrophobicContact CD2-CB 4.19Å; L307-L367 HydrophobicContact CG-CD1 4.26Å; L307-L367 HydrophobicContact CG-CD2 4.44Å; I308-L367 HydrophobicContact CB-CD1 4.48Å; I308-L367 HydrophobicContact CG1-CD1 3.93Å; D311-L367 HydrophobicContact CB-CD1 4.14Å; D311-L367 HydrophobicContact CB-CD2 3.8Å; M360-L367 HydrophobicContact SD-CB 4.24Å; M360-L367 HydrophobicContact SD-CD1 4.3Å; H364-L367 HydrophobicContact CB-CB 4.47Å; H364-L367 HydrophobicContact CB-CD1 3.72Å; H364-L367 HydrophobicContact CB-CG 4.1Å; H364-L367 PolarHBondContact O-N 2.88Å; H364-L367 VanDerWaalsContact O-N 3.14Å; P365-L367 VanDerWaalsContact C-N 3.35Å; L367-E370 PolarHBondContact O-N 2.8Å; L367-A371 PolarHBondContact O-N 2.92Å
368V86Confident81.6Confident19 Ų1965.1 Ų65.112%0.11536%0.364CS..Hα-helixtrans-62-47.4173.7179.60000110W357 M360 I361 P365 H366 E370 A371 F372W357-V368 HydrophobicContact CZ2-CG1 4.35Å; M360-V368 HydrophobicContact CE-CG2 4.09Å; I361-V368 HydrophobicContact CG1-CG2 4.03Å; P365-V368 PolarHBondContact O-N 3.08Å; H366-V368 VanDerWaalsContact C-N 3.34Å; V368-E370 VanDerWaalsContact C-N 3.3Å; V368-E370 PolarHBondContact O-N 3.48Å; V368-A371 PolarHBondContact O-N 2.79Å; V368-F372 HydrophobicContact CG1-CD2 3.68Å; V368-F372 HydrophobicContact CG1-CE2 3.47Å; V368-F372 VanDerWaalsContact CG1-CE2 3.47Å; V368-F372 WeakPolarHBondContact O-CD2 3.25Å; V368-F372 PolarHBondContact O-N 3.45Å
369A83.5Confident79.6Confident45 Ų4565.5 Ų65.537%0.37237%0.367SS..Hα-helixtrans-61.3-38.1177.400000112.5P365 H366 R373P365-A369 PolarHBondContact O-N 2.86Å; P365-A369 VanDerWaalsContact O-N 3.13Å; H366-A369 WeakPolarHBondContact O-CB 3.2Å; H366-A369 PolarHBondContact O-N 3.17Å; A369-R373 WeakPolarHBondContact O-CB 3.34Å; A369-R373 PolarHBondContact O-N 3.1Å
370E84.2Confident76.6Confident60 Ų6066.8 Ų66.828%0.2838%0.375SS..Hα-helixtrans-66.2-44.8176.9-165.2176.1164.200112.1K319 I323 H366 L367 V368 F372 R373 A374K319-E370 VanDerWaalsContact CE-CD 3.45Å; K319-E370 VanDerWaalsContact CE-OE1 3.27Å; K319-E370 WeakPolarHBondContact CE-OE1 3.29Å; K319-E370 WeakPolarHBondContact CE-OE2 3.39Å; K319-E370 IonicContact NZ-OE1 2.66Å; K319-E370 PolarHBondContact NZ-OE1 3.33Å; K319-E370 IonicContact NZ-OE2 2.57Å; K319-E370 PolarHBondContact NZ-OE2 3.41Å; I323-E370 HydrophobicContact CD1-CG 4.07Å; H366-E370 WeakPolarHBondContact O-CB 3.26Å; H366-E370 PolarHBondContact O-N 2.82Å; L367-E370 PolarHBondContact O-N 2.8Å; V368-E370 VanDerWaalsContact C-N 3.3Å; V368-E370 PolarHBondContact O-N 3.48Å; E370-F372 PolarHBondContact O-N 3.02Å; E370-R373 PolarHBondContact O-N 3.32Å; E370-A374 WeakPolarHBondContact O-CB 3.47Å; E370-A374 PolarHBondContact O-N 3.1Å
371A80.8Confident73.8Confident2 Ų271.2 Ų71.22%0.01740%0.404CS..Hα-helixtrans-58.9-46.2175.100000111.9I323 N327 L367 V368 R373 A374 L375I323-A371 HydrophobicContact CG2-CB 4.38Å; N327-A371 PolarHBondContact ND2-O 2.84Å; N327-A371 PolarHBondContact OD1-O 2.92Å; L367-A371 PolarHBondContact O-N 2.92Å; V368-A371 PolarHBondContact O-N 2.79Å; A371-R373 PolarHBondContact O-N 2.88Å; A371-A374 PolarHBondContact O-N 2.83Å; A371-L375 PolarHBondContact O-N 3.11Å
372F78.9Confident71.2Confident105 Ų10573.4 Ų73.446%0.46142%0.424SS..Hα-helixtrans-65.8-35.9175.9-79.2-65000113.2V368 E370 L375 A376V368-F372 HydrophobicContact CG1-CD2 3.68Å; V368-F372 HydrophobicContact CG1-CE2 3.47Å; V368-F372 VanDerWaalsContact CG1-CE2 3.47Å; V368-F372 WeakPolarHBondContact O-CD2 3.25Å; V368-F372 PolarHBondContact O-N 3.45Å; E370-F372 PolarHBondContact O-N 3.02Å; F372-L375 HydrophobicContact CD1-CD2 4.46Å; F372-L375 WeakPolarHBondContact O-CB 3.37Å; F372-L375 PolarHBondContact O-N 2.95Å; F372-A376 PolarHBondContact O-N 3.07Å
373R74.2Confident68.4Low167 Ų16775 Ų7563%0.6343%0.428SS*.Hα-helixtrans-65.2-43.3175.3-171.1-176.8-63.1114.50.3111.2A369 E370 A371 L375 A376 S377A369-R373 WeakPolarHBondContact O-CB 3.34Å; A369-R373 PolarHBondContact O-N 3.1Å; E370-R373 PolarHBondContact O-N 3.32Å; A371-R373 PolarHBondContact O-N 2.88Å; R373-L375 VanDerWaalsContact C-N 3.27Å; R373-L375 PolarHBondContact O-N 3.06Å; R373-A376 PolarHBondContact O-N 3.28Å; R373-S377 PolarHBondContact O-N 2.87Å; R373-S377 PolarHBondContact O-OG 2.92Å
374A72.2Confident65.5Low34 Ų3475.3 Ų75.328%0.28144%0.441SS..Hα-helixtrans-63-35.1174.900000111.9I323 E370 A371 S377 A378I323-A374 HydrophobicContact CG2-CB 3.65Å; E370-A374 WeakPolarHBondContact O-CB 3.47Å; E370-A374 PolarHBondContact O-N 3.1Å; A371-A374 PolarHBondContact O-N 2.83Å; A374-S377 PolarHBondContact O-OG 3.16Å; A374-A378 WeakPolarHBondContact O-CB 3.26Å; A374-A378 PolarHBondContact O-N 2.94Å
375L67.2Low62.4Low20 Ų2080.1 Ų80.111%0.10547%0.468CS..Hα-helixtrans-65.3-46.9173.6-178.560.5000112N327 V331 A371 F372 R373 S377 A378 Q379N327-L375 HydrophobicContact CB-CD1 4.29Å; N327-L375 PolarHBondContact ND2-N 2.94Å; V331-L375 HydrophobicContact CG2-CD1 3.29Å; A371-L375 PolarHBondContact O-N 3.11Å; F372-L375 HydrophobicContact CD1-CD2 4.46Å; F372-L375 WeakPolarHBondContact O-CB 3.37Å; F372-L375 PolarHBondContact O-N 2.95Å; R373-L375 VanDerWaalsContact C-N 3.27Å; R373-L375 PolarHBondContact O-N 3.06Å; L375-S377 PolarHBondContact O-N 3.1Å; L375-A378 PolarHBondContact O-N 3.21Å; L375-Q379 WeakPolarHBondContact O-CG 3.35Å; L375-Q379 PolarHBondContact O-N 3.46Å
376A62.1Low59.4Low56 Ų5681.9 Ų81.946%0.46348%0.479SS..Hα-helixtrans-63.7-39.3-178.900000112.5F372 R373 A378 Q379 C380F372-A376 PolarHBondContact O-N 3.07Å; R373-A376 PolarHBondContact O-N 3.28Å; A376-A378 VanDerWaalsContact C-N 3.34Å; A376-Q379 PolarHBondContact O-N 3.12Å; A376-C380 PolarHBondContact O-N 3.24Å
377S62.2Low56.8Low86 Ų8689.3 Ų89.360%0.60150%0.504SS*.Hα-helixtrans-67.3-34176.2640000112.4R373 A374 L375 Q379R373-S377 PolarHBondContact O-N 2.87Å; R373-S377 PolarHBondContact O-OG 2.92Å; A374-S377 PolarHBondContact O-OG 3.16Å; L375-S377 PolarHBondContact O-N 3.1Å; S377-Q379 VanDerWaalsContact C-N 3.3Å; S377-Q379 PolarHBondContact O-N 3.04Å
378A54.9Low54Low74 Ų7498.9 Ų98.961%0.61255%0.545SS*.Hα-helixtrans-71.9-20.3176.300000114A374 L375 A376A374-A378 WeakPolarHBondContact O-CB 3.26Å; A374-A378 PolarHBondContact O-N 2.94Å; L375-A378 PolarHBondContact O-N 3.21Å; A376-A378 VanDerWaalsContact C-N 3.34Å
379Q45.4Very low51.5Low101 Ų101109.7 Ų109.747%0.47258%0.584SS.*Hα-helixtrans-92.4-13.4-179.1-69.8-176.513.500114.2L375 A376 S377 P381L375-Q379 WeakPolarHBondContact O-CG 3.35Å; L375-Q379 PolarHBondContact O-N 3.46Å; A376-Q379 PolarHBondContact O-N 3.12Å; S377-Q379 VanDerWaalsContact C-N 3.3Å; S377-Q379 PolarHBondContact O-N 3.04Å; Q379-P381 WeakPolarHBondContact O-CD 3.42Å
380C28.8Very low49.1Very low92 Ų92115.4 Ų115.462%0.62261%0.607SS**  trans-83.1111.4177.5-73.60000111A376A376-C380 PolarHBondContact O-N 3.24Å
381P31.2Very low46.8Very low93 Ų93122.2 Ų122.260%0.60464%0.636SS**  trans-64.7141.8163.626.6-29.5000108.7Q379 F383Q379-P381 WeakPolarHBondContact O-CD 3.42Å; P381-F383 PolarHBondContact O-N 3.22Å
382P33.6Very low44.7Very low128 Ų128131.2 Ų131.283%0.83168%0.678SS**  trans-58.8116.8170.222.9-29.6000107.7G384P382-G384 PolarHBondContact O-N 3.35Å
383F31.2Very low42.9Very low203 Ų203135.3 Ų135.389%0.8972%0.72SS**  trans-63.684.3173.5-88.9-89.1000109.1P381 L385P381-F383 PolarHBondContact O-N 3.22Å; F383-L385 PolarHBondContact O-N 3.29Å
384G31.9Very low41.3Very low67 Ų67133.8 Ų133.869%0.69172%0.724SS**  trans-74.9110.3163.900000108.4P382P382-G384 PolarHBondContact O-N 3.35Å
385L28.3Very low39.7Very low159 Ų159139 Ų13983%0.83275%0.747SS**  trans-47.1135.9170.8-73.4160.8000110.5F383 R387F383-L385 PolarHBondContact O-N 3.29Å; L385-R387 PolarHBondContact O-N 3.03Å
386P30.1Very low38.2Very low119 Ų119145.6 Ų145.677%0.77378%0.783SS**  trans-64.5111.8179.623.2-30000110K388P386-K388 PolarHBondContact O-N 3.06Å
387R35.3Very low36.8Very low246 Ų246150.9 Ų150.993%0.92880%0.802SS**  trans-64105.1168.4-81.3-176.3174.9176.4-1.1108.4L385 R389L385-R387 PolarHBondContact O-N 3.03Å; R387-R389 PolarHBondContact O-N 3.12Å; R387-R389 VanDerWaalsContact O-N 3.1Å
388K32.8Very low35.2Very low201 Ų201154.9 Ų154.987%0.87482%0.815SS**  trans-52.7114.3165.8-74.8-179.3176.8178.50108.4P386 L390P386-K388 PolarHBondContact O-N 3.06Å; K388-L390 PolarHBondContact O-N 3.12Å; K388-L390 VanDerWaalsContact O-N 3.12Å
389R32.7Very low33.9Very low246 Ų246160.3 Ų160.393%0.92883%0.828SS**  trans-66.4106.1164.3-90.4-178.5169.9179.4-3.2107.7R387 K391R387-R389 PolarHBondContact O-N 3.12Å; R387-R389 VanDerWaalsContact O-N 3.1Å; R389-K391 PolarHBondContact O-N 2.96Å
390L32.8Very low33Very low164 Ų164164.6 Ų164.686%0.85985%0.854SS**  trans-65.3114.8159.7-88148.2000107.3K388 Q392K388-L390 PolarHBondContact O-N 3.12Å; K388-L390 VanDerWaalsContact O-N 3.12Å; L390-Q392 PolarHBondContact O-N 3.46Å
391K35.2Very low33.4Very low204 Ų204170.2 Ų170.289%0.88787%0.871SS**  trans-64.2119163-76.4-178.2174.4-177.90106.8R389R389-K391 PolarHBondContact O-N 2.96Å
392Q37.7Very low33.5Very low190 Ų190176.6 Ų176.689%0.88889%0.894SS**  trans-86.9128158.3-78.2-177.6-16.800107.6L390L390-Q392 PolarHBondContact O-N 3.46Å
393S40.9Very low33.5Very low192 Ų192181 Ų181100%1.34390%0.899SS**  trans-61.70176.450.70000113.4

Retrieved 393 of 393 residues in 521.6 ms (Link to these results)