A0A096MX03_PAPAN Loading...

Erythroferrone

AlphaFold DB , UniProt , Accession A0A096MX03, Species PAPAN (Papio anubis, Olive baboon), Gene ERFE, Length 353 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M36.5Very low43.4Very low249 Ų249151.2 Ų151.2100%1.22786%0.864SS**  0134.70-80.3174.8169.200108
2A38.8Very low43.5Very low100 Ų100152 Ų15283%0.82686%0.862SS**  trans-61.1152.4-152.700000117.2
3P43.2Very low44Very low131 Ų131154 Ų15485%0.85187%0.868SS**  trans-93.9149.8157.335.7-27.3000111.4
4A47Very low44.2Very low91 Ų91154.8 Ų154.875%0.75287%0.867SS**  trans-109.4163174.900000111.7
5R42.4Very low44.5Very low223 Ų223152.7 Ų152.784%0.84286%0.859SS**  trans86.1131.2166-75.3179.9171.6-179-1.8115.4
6R47Very low44.2Very low226 Ų226158 Ų15885%0.85386%0.864SS**  cis-164.5-171.541.9-121.5179.7-167.9-171.14.3111.2
7P49.8Very low44.2Very low120 Ų120154.8 Ų154.878%0.77986%0.864SS**  trans-105.1166.9-14042.2-28.9000115.1
8A40.5Very low44.1Very low104 Ų104150 Ų15086%0.8686%0.855SS**  trans-138.596.7169.900000111.1
9G39.7Very low43.9Very low73 Ų73151.5 Ų151.575%0.75386%0.859SS**  trans-80.1161.7154.900000110.3
10A48.6Very low43.8Very low102 Ų102152.8 Ų152.884%0.84386%0.862SS**  trans76.869.1168.900000117.8
11R44.1Very low43.5Very low244 Ų244150.3 Ų150.392%0.92186%0.861SS**  trans-156.284.5147.7-75.2-158.6174.8-178.9-2.7111.8
12L44.8Very low43.5Very low161 Ų161143.5 Ų143.584%0.84384%0.844SS**  trans-166.749.1150.1-134.677000113.5
13L49.3Very low43.5Very low178 Ų178143.6 Ų143.693%0.93285%0.845SS**  trans-118.544.4169.2-82.5175.9000111.8
14L47.6Very low43Very low165 Ų165142.3 Ų142.386%0.86485%0.845SS**  trans-143.250.8179.4-96.9164.5000112.1
15V48Very low42.1Very low123 Ų123141.4 Ų141.475%0.74585%0.845SS**SBendtrans-125.85.8172.4-175.30000112.9
16Y39.5Very low41.7Very low238 Ų238139.7 Ų139.793%0.93385%0.852SS**SBendtrans-114.223.2-174.1-106.2-81.2000117.1
17A44.6Very low40.7Very low104 Ų104132.7 Ų132.786%0.8685%0.85SS**SBendtrans-134.642.3179.100000114.1
18G42.4Very low40Very low68 Ų68132.5 Ų132.570%0.70185%0.851SS**SBendtrans-144.626.9-172.600000117
19L40.5Very low40Very low179 Ų179133.6 Ų133.694%0.93785%0.85SS**  trans-147.761.6177-107.8134000112.2
20L41.1Very low39.7Very low176 Ų176137.5 Ų137.592%0.92185%0.848SS**SBendtrans-140.227.9172.3-103.6179000114.9
21A38.8Very low39.5Very low101 Ų101138.7 Ų138.784%0.83585%0.847SS**  trans-154.584.6173.700000112.7
22A36.8Very low38.7Very low107 Ų107130.3 Ų130.388%0.88484%0.836SS**  trans-146.869.7165.900000110.3
23A37.7Very low38Very low102 Ų102127.1 Ų127.184%0.84383%0.833SS**  trans-161.780.6163.200000110.1
24A33.1Very low37.9Very low103 Ų103124.4 Ų124.485%0.85183%0.826SS**  trans-171.3123.3159.600000112.8
25G27.9Very low36.9Very low72 Ų72121.5 Ų121.574%0.74282%0.82SS**  trans78.4145.4156.500000117
26L32.9Very low36Very low188 Ų188126.6 Ų126.698%0.98483%0.826SS**  cis-169.6157.113.6-99.1130000108.6
27G27.2Very low35.5Very low79 Ų79119.7 Ų119.781%0.81481%0.812SS**  trans134.6106.6145.400000118.5
28S33.9Very low34.7Very low116 Ų116125.3 Ų125.381%0.81181%0.811SS**  trans-87.5161.7162.5-162.30000110.3
29P40.9Very low34.1Very low127 Ų127128 Ų12883%0.82581%0.814SS**  -149164.780.733-10.5000117.5
30E33.8Very low33.4Very low155 Ų155128.8 Ų128.872%0.72481%0.805SS**  trans-79.3167.5168.2-141.2-135.8132.900111.5G32E30-G32 PolarHBondContact OE1-N 3.39Å
31P44.8Very low32.7Very low127 Ų127127.3 Ų127.383%0.82579%0.793SS**  -152.4160.666.737.1-14.1000119.5
32G26.3Very low32.3Very low67 Ų67129.6 Ų129.669%0.69179%0.786SS**  trans145.9100.7144.700000119.6E30E30-G32 PolarHBondContact OE1-N 3.39Å
33A31.3Very low32.2Very low94 Ų94130.3 Ų130.378%0.77778%0.782SS**  trans-88.9-176.7168.200000112
34P46.3Very low31.9Very low121 Ų121129.8 Ų129.879%0.78677%0.772SS**  cis-151-174.320.742.2-19000120
35S28Very low32.9Very low104 Ų104131 Ų13173%0.72777%0.772SS**  trans92.6130.2152.2-160.90000116.9
36R27.4Very low32.7Very low231 Ų231131 Ų13187%0.87277%0.772SS**  cis-162.3151.425.5-144.1171.3-172.4-172.22111
37S28.8Very low32.7Very low93 Ų93129.6 Ų129.665%0.6577%0.765SS**  trans-33.7155.7173.859.20000119.7
38R29.1Very low32.7Very low222 Ų222135.2 Ų135.284%0.83877%0.77SS**  -178.3134.267.2-111.6-178.3-169.8174.91112.9
39T28.8Very low32.7Very low123 Ų123137.6 Ų137.676%0.75577%0.773SS**  trans53.2142.9137.731.80000121.5
40R27.3Very low32.6Very low196 Ų196137.9 Ų137.974%0.7478%0.775SS**  cis-177.5144.87.3179.4171.6179.6-154.9-13.6110.4
41E25.9Very low32.2Very low146 Ų146142.7 Ų142.768%0.68279%0.786SS**  trans65.7114.5151.3-77.8165.3179.700124.8
42E30.7Very low31.3Very low148 Ų148139 Ų13969%0.69277%0.772SS**  trans-88.1170.2130.5-139.6-148.4114.100108S44E42-S44 PolarHBondContact OE1-N 3.43Å; E42-S44 PolarHBondContact OE1-OG 3.03Å
43P34.7Very low31.9Very low122 Ų122142.4 Ų142.479%0.79278%0.781SS**  -150.1172.455.635.5-10.4000119.2
44S30.8Very low31.7Very low91 Ų91141.5 Ų141.564%0.63678%0.781SS**  trans-67.8-159.7173-56.60000115.6E42E42-S44 PolarHBondContact OE1-N 3.43Å; E42-S44 PolarHBondContact OE1-OG 3.03Å
45P53.3Low30.8Very low130 Ų130145.1 Ų145.184%0.84479%0.788SS**  -124.4-178-67.535.1-16.6000113.6
46G24.8Very low30.9Very low72 Ų72145.7 Ų145.774%0.74279%0.792SS**  trans-172.5148.5172.500000116.8
47N33.1Very low31.1Very low157 Ų157146.9 Ų146.984%0.8480%0.796SS**  trans-92.8164.3-163.1-41.9-40.7000113.5
48E27.1Very low31.1Very low198 Ų198147.4 Ų147.493%0.92581%0.806SS**  trans161.9145.3131.3-87.8-175.7163.200114.6
49L33.2Very low31.1Very low165 Ų165140.3 Ų140.386%0.86480%0.803SS**  trans-111.6156166.1-82.9166.5000108.8
50P38.4Very low31.7Very low133 Ų133140.7 Ų140.786%0.86481%0.807SS**  -146.5-175.2120.432.3-12.1000115.3
51W25.9Very low31.9Very low256 Ų256135.6 Ų135.697%0.9781%0.807SS**  trans-119.4147.8-147-177-146.7000115.9
52G25.7Very low32.2Very low51 Ų51133.7 Ų133.753%0.52682%0.816SS.*  trans94.7167.6146.700000120.7
53P39.5Very low32.2Very low137 Ų137137.9 Ų137.989%0.8983%0.826SS**  cis-143.6173.5-23.440.8-22000116.8
54G26.5Very low32.2Very low75 Ų75139.5 Ų139.577%0.77383%0.827SS**  trans93.4139.2158.100000116.9
55E28.6Very low32.5Very low198 Ų198140.8 Ų140.893%0.92583%0.833SS**  cis-165.6158.614.7-131.2172.6141.600109.9
56S28.7Very low31.5Very low116 Ų116143 Ų14381%0.81183%0.832SS**  trans-65.1145.2-170.8-50.60000116.7
57R31.5Very low31.9Very low255 Ų255145.4 Ų145.496%0.96284%0.835SS**  trans-158132.2134.6-122.7174.7178.9175.7-0113.5
58A29.4Very low31.8Very low104 Ų104143.6 Ų143.686%0.8683%0.829SS**  trans-89.2145.7-174.500000113.5
59G29Very low32.2Very low74 Ų74138.9 Ų138.976%0.76383%0.825SS**  trans99.2156.5145.500000118
60P41.3Very low32.3Very low130 Ų130139.1 Ų139.184%0.84482%0.821SS**  cis-127.3164.4-2036-18.8000114.4A62P60-A62 PolarHBondContact O-N 3.33Å
61A32.4Very low32.3Very low90 Ų90143.5 Ų143.574%0.74482%0.821SS**  trans-52.8122176.200000114.2R63A61-R63 PolarHBondContact O-N 3.41Å; A61-R63 VanDerWaalsContact O-N 3.15Å
62A32.5Very low33.1Very low106 Ų106135.5 Ų135.588%0.87681%0.809SS**  trans-74.497.7159.100000108.3P60 L64P60-A62 PolarHBondContact O-N 3.33Å; A62-L64 PolarHBondContact O-N 3.16Å
63R30.8Very low34.4Very low235 Ų235141.3 Ų141.389%0.88782%0.822SS**PPolyproline II helixtrans-63.4119169.1-67.7-177.9179-178.8-0.9108.5A61A61-R63 PolarHBondContact O-N 3.41Å; A61-R63 VanDerWaalsContact O-N 3.15Å
64L33.9Very low35.1Very low157 Ų157140.5 Ų140.582%0.82282%0.82SS**PPolyproline II helixtrans-59.8133.2162.1-146.183.1000107.6A62 E66A62-L64 PolarHBondContact O-N 3.16Å; L64-E66 PolarHBondContact O-N 3.42Å
65P37.4Very low37.2Very low118 Ų118141.7 Ų141.777%0.76681%0.812SS**PPolyproline II helixtrans-65.2119.8172.6-14.428000108.7
66E31.3Very low39.6Very low175 Ų175135.7 Ų135.782%0.81879%0.786SS**PPolyproline II helixtrans-55.5138.6166.1-69.9-166.2146.400109.1L64 T68L64-E66 PolarHBondContact O-N 3.42Å; E66-T68 PolarHBondContact O-N 3.12Å
67P34.7Very low41.9Very low124 Ų124135.1 Ų135.181%0.80578%0.78SS**  trans-63.9110.5169.127.5-30.1000106.6A69P67-A69 PolarHBondContact O-N 3.43Å
68T30.2Very low44Very low118 Ų118131.1 Ų131.172%0.72477%0.765SS**  trans-44.2117.4163.4380000107.3E66 E70E66-T68 PolarHBondContact O-N 3.12Å; T68-E70 PolarHBondContact O-N 3.38Å
69A36Very low46.3Very low100 Ų100130.6 Ų130.683%0.82675%0.747SS**  trans-59.488.3166.300000106.8P67 R71P67-A69 PolarHBondContact O-N 3.43Å; A69-R71 PolarHBondContact O-N 2.8Å
70E34.8Very low48.7Very low170 Ų170130.4 Ų130.479%0.79473%0.731SS**  trans-58.898161.4-76.5-171.9168.700105T68 A72T68-E70 PolarHBondContact O-N 3.38Å; E70-A72 PolarHBondContact O-N 2.99Å
71R39.3Very low50.3Low225 Ų225131.7 Ų131.785%0.84972%0.719SS**  trans-42.2107.3169.8-164.6177-158.1173.54.5106.1A69 H73A69-R71 PolarHBondContact O-N 2.8Å; R71-H73 PolarHBondContact O-N 3.3Å
72A40.9Very low52.5Low88 Ų88131 Ų13173%0.72770%0.702SS**  trans-43.5115.7172.600000106.3E70 S74E70-A72 PolarHBondContact O-N 2.99Å; A72-S74 PolarHBondContact O-N 2.99Å
73H54.4Low54.7Low172 Ų172130.3 Ų130.380%0.79668%0.683SS**  trans-51.8111179.8-65.1-65.4000106.2R71 V75R71-H73 PolarHBondContact O-N 3.3Å; H73-V75 WeakPolarHBondContact O-CG2 3.17Å; H73-V75 PolarHBondContact O-N 3.21Å
74S54.5Low56.9Low120 Ų120124.6 Ų124.684%0.83967%0.665SS**  trans-66.696175.264.70000105.2A72 D76A72-S74 PolarHBondContact O-N 2.99Å; S74-D76 PolarHBondContact O-N 2.81Å; S74-D76 VanDerWaalsContact O-N 3.12Å
75V68.9Low58.9Low101 Ų101120.3 Ų120.361%0.61264%0.642SS**  trans-66.4115.9178.5-170.80000105.8H73 P77 T80H73-V75 WeakPolarHBondContact O-CG2 3.17Å; H73-V75 PolarHBondContact O-N 3.21Å; V75-P77 WeakPolarHBondContact O-CD 3.44Å; V75-T80 WeakPolarHBondContact CG1-OG1 3.39Å
76D80.4Confident60.7Low71 Ų71122.5 Ų122.538%0.3864%0.635SS.*  trans-59.3124175.8-179.2-7.3000108.1S74 R78 D79 T80S74-D76 PolarHBondContact O-N 2.81Å; S74-D76 VanDerWaalsContact O-N 3.12Å; D76-R78 PolarHBondContact O-N 2.78Å; D76-R78 VanDerWaalsContact O-N 3.11Å; D76-R78 VanDerWaalsContact OD1-CB 3.24Å; D76-R78 WeakPolarHBondContact OD1-CB 3.44Å; D76-R78 PolarHBondContact OD1-N 3.18Å; D76-D79 HydrophobicContact CB-CB 4.04Å; D76-D79 PolarHBondContact O-N 3.28Å; D76-T80 PolarHBondContact O-N 3.17Å; D76-T80 PolarHBondContact O-OG1 2.87Å
77P76.6Confident62.4Low104 Ų104120.4 Ų120.468%0.67563%0.625SS**Hα-helixtrans-52.2-32.7174.9-25.833.3000112.3V75 W81V75-P77 WeakPolarHBondContact O-CD 3.44Å; P77-W81 WeakPolarHBondContact O-CB 3.32Å; P77-W81 PolarHBondContact O-N 3.36Å
78R75.6Confident63.8Low172 Ų172117.6 Ų117.665%0.64961%0.609SS**Hα-helixtrans-67.8-42.9176.9-167.3177.7-138.5-82.6-3.2112.1D76 T80 W81 M82D76-R78 PolarHBondContact O-N 2.78Å; D76-R78 VanDerWaalsContact O-N 3.11Å; D76-R78 VanDerWaalsContact OD1-CB 3.24Å; D76-R78 WeakPolarHBondContact OD1-CB 3.44Å; D76-R78 PolarHBondContact OD1-N 3.18Å; R78-T80 VanDerWaalsContact C-N 3.34Å; R78-W81 PolarHBondContact O-N 2.94Å; R78-M82 WeakPolarHBondContact O-CB 3.33Å; R78-M82 WeakPolarHBondContact O-CG 3.23Å; R78-M82 PolarHBondContact O-N 2.88Å
79D76.8Confident65.1Low93 Ų93118.7 Ų118.750%0.49761%0.61SS.*Hα-helixtrans-67.4-39.1177.9-73.1-23.4000111.2D76 W81 M82 L83D76-D79 HydrophobicContact CB-CB 4.04Å; D76-D79 PolarHBondContact O-N 3.28Å; D79-W81 VanDerWaalsContact C-N 3.34Å; D79-W81 PolarHBondContact O-N 3.02Å; D79-M82 PolarHBondContact O-N 3.09Å; D79-L83 WeakPolarHBondContact O-CB 3.43Å; D79-L83 VanDerWaalsContact O-CG 3.31Å; D79-L83 WeakPolarHBondContact O-CG 3.02Å; D79-L83 PolarHBondContact O-N 3.14Å
80T79.7Confident66.2Low70 Ų70121.6 Ų121.643%0.42960%0.604SS.*Hα-helixtrans-61.9-43.6174.6-42.40000111.1V75 D76 R78 L83 F84V75-T80 WeakPolarHBondContact CG1-OG1 3.39Å; D76-T80 PolarHBondContact O-N 3.17Å; D76-T80 PolarHBondContact O-OG1 2.87Å; R78-T80 VanDerWaalsContact C-N 3.34Å; T80-L83 PolarHBondContact O-N 3.15Å; T80-F84 PolarHBondContact O-N 3.41Å
81W74.4Confident67Low156 Ų156115.8 Ų115.859%0.59159%0.59SS**Hα-helixtrans-64.8-44.4176.1-178.6-105.2000112.2P77 R78 D79 L83 F84 I85P77-W81 WeakPolarHBondContact O-CB 3.32Å; P77-W81 PolarHBondContact O-N 3.36Å; R78-W81 PolarHBondContact O-N 2.94Å; D79-W81 VanDerWaalsContact C-N 3.34Å; D79-W81 PolarHBondContact O-N 3.02Å; W81-L83 VanDerWaalsContact C-N 3.3Å; W81-L83 PolarHBondContact O-N 3.12Å; W81-F84 HydrophobicContact CE3-CD1 4.38Å; W81-F84 HydrophobicContact CZ3-CD1 4.18Å; W81-F84 HydrophobicContact CZ3-CE1 4.46Å; W81-F84 WeakPolarHBondContact O-CB 3.28Å; W81-F84 PolarHBondContact O-N 2.96Å; W81-I85 HydrophobicContact CZ2-CD1 3.93Å; W81-I85 HydrophobicContact CZ2-CG1 4.42Å; W81-I85 WeakPolarHBondContact O-CG1 3.46Å; W81-I85 PolarHBondContact O-N 3.41Å
82M79.9Confident67.7Low75 Ų75112.2 Ų112.237%0.36959%0.593SS.*Hα-helixtrans-64.3-34.5177-70.9-68.9-72.800112.1R78 D79 R86R78-M82 WeakPolarHBondContact O-CB 3.33Å; R78-M82 WeakPolarHBondContact O-CG 3.23Å; R78-M82 PolarHBondContact O-N 2.88Å; D79-M82 PolarHBondContact O-N 3.09Å; M82-R86 WeakPolarHBondContact O-CB 3.22Å; M82-R86 WeakPolarHBondContact O-CD 3.39Å; M82-R86 WeakPolarHBondContact O-CG 3.2Å; M82-R86 PolarHBondContact O-N 2.76Å; M82-R86 VanDerWaalsContact O-N 3.08Å
83L79Confident68.4Low92 Ų92115.2 Ų115.248%0.48260%0.596SS.*Hα-helixtrans-65.1-42.6172.4-78.5166.3000111.9D79 T80 W81 R86 Q87D79-L83 WeakPolarHBondContact O-CB 3.43Å; D79-L83 VanDerWaalsContact O-CG 3.31Å; D79-L83 WeakPolarHBondContact O-CG 3.02Å; D79-L83 PolarHBondContact O-N 3.14Å; T80-L83 PolarHBondContact O-N 3.15Å; W81-L83 VanDerWaalsContact C-N 3.3Å; W81-L83 PolarHBondContact O-N 3.12Å; L83-R86 PolarHBondContact O-N 2.88Å; L83-Q87 WeakPolarHBondContact O-CB 3.35Å; L83-Q87 VanDerWaalsContact O-CG 3.27Å; L83-Q87 WeakPolarHBondContact O-CG 3.45Å; L83-Q87 PolarHBondContact O-N 3Å
84F75.3Confident68.1Low116 Ų116109.6 Ų109.651%0.50959%0.585SS.*Hα-helixtrans-61.3-49.3176.8175.2-100.8000111.8T80 W81 R86 Q87 S88T80-F84 PolarHBondContact O-N 3.41Å; W81-F84 HydrophobicContact CE3-CD1 4.38Å; W81-F84 HydrophobicContact CZ3-CD1 4.18Å; W81-F84 HydrophobicContact CZ3-CE1 4.46Å; W81-F84 WeakPolarHBondContact O-CB 3.28Å; W81-F84 PolarHBondContact O-N 2.96Å; F84-R86 VanDerWaalsContact C-N 3.33Å; F84-R86 PolarHBondContact O-N 3.4Å; F84-Q87 CarbonylContact O-C 3.59Å; F84-Q87 PolarHBondContact O-N 3.19Å; F84-S88 PolarHBondContact O-N 2.94Å
85I77.5Confident68.1Low67 Ų67113.9 Ų113.934%0.34459%0.589SS.*Hα-helixtrans-60.8-41.5177.4-62.2-63.2000111.5W81 Q87 S88W81-I85 HydrophobicContact CZ2-CD1 3.93Å; W81-I85 HydrophobicContact CZ2-CG1 4.42Å; W81-I85 WeakPolarHBondContact O-CG1 3.46Å; W81-I85 PolarHBondContact O-N 3.41Å; I85-Q87 PolarHBondContact O-N 2.94Å; I85-S88 PolarHBondContact O-N 3.15Å; I85-S88 PolarHBondContact O-OG 2.59Å
86R74.9Confident67.2Low164 Ų164117.5 Ų117.562%0.61960%0.596SS**Hα-helixtrans-66.7-21.3176.5-72.5171.5-178.7-173.32.6113.5M82 L83 F84M82-R86 WeakPolarHBondContact O-CB 3.22Å; M82-R86 WeakPolarHBondContact O-CD 3.39Å; M82-R86 WeakPolarHBondContact O-CG 3.2Å; M82-R86 PolarHBondContact O-N 2.76Å; M82-R86 VanDerWaalsContact O-N 3.08Å; L83-R86 PolarHBondContact O-N 2.88Å; F84-R86 VanDerWaalsContact C-N 3.33Å; F84-R86 PolarHBondContact O-N 3.4Å
87Q67Low65.9Low131 Ų131125.9 Ų125.961%0.61262%0.623SS**Hα-helixtrans-93.8-29178.4-74.2176.73.300112.4L83 F84 I85 D89 K90L83-Q87 WeakPolarHBondContact O-CB 3.35Å; L83-Q87 VanDerWaalsContact O-CG 3.27Å; L83-Q87 WeakPolarHBondContact O-CG 3.45Å; L83-Q87 PolarHBondContact O-N 3Å; F84-Q87 CarbonylContact O-C 3.59Å; F84-Q87 PolarHBondContact O-N 3.19Å; I85-Q87 PolarHBondContact O-N 2.94Å; Q87-D89 VanDerWaalsContact C-N 3.3Å; Q87-D89 PolarHBondContact O-N 3.39Å; Q87-K90 PolarHBondContact O-N 3.01Å; Q87-K90 VanDerWaalsContact O-N 3.09Å
88S64.6Low64.7Low65 Ų65126 Ų12646%0.45562%0.622SS.*Hα-helixtrans-64.8-32.6179.758.60000113.1F84 I85 K90F84-S88 PolarHBondContact O-N 2.94Å; I85-S88 PolarHBondContact O-N 3.15Å; I85-S88 PolarHBondContact O-OG 2.59Å; S88-K90 PolarHBondContact O-N 3.38Å
89D57.4Low63.5Low140 Ų140128.2 Ų128.275%0.74964%0.636SS**THydrogen-bonded Turntrans-74.3-12.8176.9-65.2-14.8000112.8Q87 G91Q87-D89 VanDerWaalsContact C-N 3.3Å; Q87-D89 PolarHBondContact O-N 3.39Å; D89-G91 VanDerWaalsContact C-N 3.3Å; D89-G91 PolarHBondContact O-N 3.44Å
90K59.3Low61.7Low161 Ų161127 Ų12770%0.765%0.646SS**SBendtrans-92.368174.9-56.5-169.9-171.9-170.20109.2Q87 S88Q87-K90 PolarHBondContact O-N 3.01Å; Q87-K90 VanDerWaalsContact O-N 3.09Å; S88-K90 PolarHBondContact O-N 3.38Å
91G50.5Low60.3Low49 Ų49134.4 Ų134.451%0.50567%0.672SS.*  trans-51.3160.5168.400000112D89 N93 G94D89-G91 VanDerWaalsContact C-N 3.3Å; D89-G91 PolarHBondContact O-N 3.44Å; G91-N93 PolarHBondContact O-N 3.47Å; G91-G94 PolarHBondContact O-N 2.91Å
92V54.6Low58.8Low149 Ų149131.5 Ų131.590%0.90368%0.681SS**THydrogen-bonded Turntrans-48.6-8.9-173.6176.20000115.5
93N54.3Low57.5Low151 Ų151138.1 Ų138.181%0.80771%0.708SS**THydrogen-bonded Turntrans-109.412-178.2-58.4-15.7000114.6G91 K95G91-N93 PolarHBondContact O-N 3.47Å; N93-K95 PolarHBondContact O-N 3.31Å
94G49.2Very low56Low55 Ų55143.5 Ų143.557%0.56773%0.727SS**  trans-60.2103.3170.900000110.4G91 K96G91-G94 PolarHBondContact O-N 2.91Å; G94-K96 VanDerWaalsContact C-N 3.34Å; G94-K96 PolarHBondContact O-N 2.9Å
95K53.6Low54.4Low210 Ų210145.9 Ų145.991%0.91374%0.744SS**  trans-48.493178.8-88.2176.5174.4169.90110.8N93 R97N93-K95 PolarHBondContact O-N 3.31Å; K95-R97 PolarHBondContact O-N 2.94Å
96K49.9Very low53.1Low177 Ų177152.2 Ų152.277%0.7777%0.769SS**  trans-74.293.1173.1-165.3-180-172.6-179.20107.6G94 T98G94-K96 VanDerWaalsContact C-N 3.34Å; G94-K96 PolarHBondContact O-N 2.9Å; K96-T98 HydrophobicContact CD-CG2 4.2Å; K96-T98 HydrophobicContact CG-CG2 3.9Å; K96-T98 PolarHBondContact O-N 3.46Å
97R54.1Low51.5Low247 Ų247154.1 Ų154.193%0.93278%0.782SS**  trans-73.577.6172.5-161.9-178.7-172.4-178.42.4108.8K95K95-R97 PolarHBondContact O-N 2.94Å
98T50.8Low50.3Low106 Ų106151.2 Ų151.265%0.6579%0.788SS**  trans-97.9101.7170.639.90000110.4K96K96-T98 HydrophobicContact CD-CG2 4.2Å; K96-T98 HydrophobicContact CG-CG2 3.9Å; K96-T98 PolarHBondContact O-N 3.46Å
99K50.5Low49.8Very low219 Ų219156.4 Ų156.495%0.95281%0.81SS**  trans-77.3110.2162.5-163.2-179.3-172.6-177.80106.7
100G40.1Very low49.5Very low68 Ų68155.6 Ų155.670%0.70181%0.812SS**  trans176.7105.8177.100000111.9A102G100-A102 PolarHBondContact O-N 3.22Å
101K50.1Low49.2Very low225 Ų225150.7 Ų150.798%0.97881%0.807SS**  trans-65.2115.1178.8-69.4-175.3175.6-179.10110.1
102A43.3Very low49.6Very low94 Ų94154.1 Ų154.178%0.77782%0.82SS**  trans-114.3125.5163.300000109.2G100 K104G100-A102 PolarHBondContact O-N 3.22Å; A102-K104 PolarHBondContact O-N 2.86Å
103K52.3Low49.8Very low215 Ų215153 Ų15394%0.93582%0.816SS**PPolyproline II helixtrans-58.8118.4-178.6-76170.6170.9175.80110.4L105K103-L105 PolarHBondContact O-N 3.12Å
104K45.8Very low49.6Very low204 Ų204148.8 Ų148.889%0.88781%0.808SS**PPolyproline II helixtrans-73.2117.4171.5-94.9-177.1171.3-177.30110.1A102A102-K104 PolarHBondContact O-N 2.86Å
105L42.8Very low50.1Low166 Ų166151.8 Ų151.887%0.86982%0.818SS**PPolyproline II helixtrans-70.2131.5159.6-80.2153000108.6K103 F107K103-L105 PolarHBondContact O-N 3.12Å; L105-F107 PolarHBondContact O-N 3.11Å
106K51.2Low50.7Low201 Ų201148 Ų14887%0.87481%0.814SS**  trans-85.3105.5-174.6-65.2179.9179.9-179.60110
107F41.2Very low50.8Low203 Ų203142.4 Ų142.489%0.8981%0.807SS**  trans-138.1130.8156.4-83.9-78.1000108.9L105L105-F107 PolarHBondContact O-N 3.11Å
108G41.2Very low51Low71 Ų71136.9 Ų136.973%0.73280%0.803SS**SBendtrans79.9130.2165.400000115.6
109L54.4Low51.5Low174 Ų174140.9 Ų140.991%0.91182%0.815SS**  trans-50.1127.9165-66.8161.8000109.1G111L109-G111 PolarHBondContact O-N 2.95Å; L109-G111 VanDerWaalsContact O-N 3.09Å
110P50Low51.6Low123 Ų123133 Ų13380%0.79980%0.795SS**  trans-68.9111.3174.818.9-16.3000108
111G52.5Low52.7Low57 Ų57135.5 Ų135.559%0.58880%0.799SS**PPolyproline II helixtrans-55.8150.3167.200000110.2L109L109-G111 PolarHBondContact O-N 2.95Å; L109-G111 VanDerWaalsContact O-N 3.09Å
112P60.2Low53Low121 Ų121130.8 Ų130.879%0.78679%0.792SS**PPolyproline II helixtrans-55.2140178.423.5-32.5000109.8G114P112-G114 PolarHBondContact O-N 2.99Å; P112-G114 VanDerWaalsContact O-N 3.13Å
113P59Low53.7Low127 Ų127128.8 Ų128.883%0.82578%0.78SS**PPolyproline II helixtrans-51.1123.4171.8-2231.2000108.9
114G49.2Very low54.2Low61 Ų61123.9 Ų123.963%0.62977%0.77SS**PPolyproline II helixtrans-55.3145173.800000109.9P112P112-G114 PolarHBondContact O-N 2.99Å; P112-G114 VanDerWaalsContact O-N 3.13Å
115P59.3Low54.8Low119 Ų119122.1 Ų122.177%0.77377%0.769SS**PPolyproline II helixtrans-56141.1178.323.6-32.6000109.7G117P115-G117 PolarHBondContact O-N 3.26Å
116P66.2Low55.8Low129 Ų129118.6 Ų118.684%0.83875%0.75SS**PPolyproline II helixtrans-50.5125.9170.9-23.932.9000109.2
117G52.7Low57.1Low60 Ų60112.3 Ų112.362%0.61973%0.729SS**PPolyproline II helixtrans-55147.717500000110.3P115 Q119P115-G117 PolarHBondContact O-N 3.26Å; G117-Q119 PolarHBondContact O-N 2.93Å
118P59Low58.7Low132 Ų132106.7 Ų106.786%0.85771%0.713SS**PPolyproline II helixtrans-54.2131.7178.523.2-32.7000109.5G120P118-G120 PolarHBondContact O-N 2.91Å; P118-G120 VanDerWaalsContact O-N 3.15Å
119Q60.3Low60.5Low190 Ų190109 Ų10989%0.88871%0.705SS**PPolyproline II helixtrans-60120.4177.7-170.4159.30.700108.2G117G117-Q119 PolarHBondContact O-N 2.93Å
120G53.2Low61.8Low53 Ų53102.3 Ų102.355%0.54668%0.675SS.*PPolyproline II helixtrans-55.4149.6176.100000110.5P118P118-G120 PolarHBondContact O-N 2.91Å; P118-G120 VanDerWaalsContact O-N 3.15Å
121P63.4Low63.2Low121 Ų121101.3 Ų101.379%0.78666%0.662SS**PPolyproline II helixtrans-53.3143.5-179.823-33000110.1G123P121-G123 PolarHBondContact O-N 2.79Å
122P56.6Low64.7Low126 Ų126103 Ų10382%0.81866%0.658SS**PPolyproline II helixtrans-52.5118.4174.9-22.731.8000109.3
123G57.1Low65.9Low51 Ų51104.3 Ų104.353%0.52665%0.651SS.*PPolyproline II helixtrans-58.5144.8174.100000109.7P121 I125P121-G123 PolarHBondContact O-N 2.79Å; G123-I125 PolarHBondContact O-N 2.84Å; G123-I125 VanDerWaalsContact O-N 3.09Å
124P63.8Low67.1Low113 Ų113104.2 Ų104.273%0.73464%0.639SS**PPolyproline II helixtrans-57.6120.317922.5-31000109.3I126P124-I126 HydrophobicContact CB-CD1 4.46Å; P124-I126 HydrophobicContact CB-CG1 4.14Å; P124-I126 HydrophobicContact CG-CD1 4.46Å; P124-I126 PolarHBondContact O-N 2.72Å
125I57.2Low68.7Low167 Ų167106.6 Ų106.686%0.85663%0.632SS**  trans-77.681.1176.3-53.7168000106.3G123 P127G123-I125 PolarHBondContact O-N 2.84Å; G123-I125 VanDerWaalsContact O-N 3.09Å; I125-P127 WeakPolarHBondContact O-CD 3.24Å
126I64.3Low70.1Confident92 Ų92106.8 Ų106.847%0.47262%0.623SS.*  trans-82.4118.6175.2-58.1171.8000106.7P124 A130P124-I126 HydrophobicContact CB-CD1 4.46Å; P124-I126 HydrophobicContact CB-CG1 4.14Å; P124-I126 HydrophobicContact CG-CD1 4.46Å; P124-I126 PolarHBondContact O-N 2.72Å; I126-A130 HydrophobicContact CG2-CB 3.92Å
127P79.1Confident71.2Confident68 Ų68107 Ų10744%0.44262%0.617SS.*  trans-59.6137.1176.821.2-28.6000109.5I125 E129 A130 L131I125-P127 WeakPolarHBondContact O-CD 3.24Å; P127-E129 VanDerWaalsContact CB-OE2 3.31Å; P127-E129 WeakPolarHBondContact CB-OE2 3.22Å; P127-E129 PolarHBondContact O-N 3Å; P127-A130 HydrophobicContact CG-CB 3.96Å; P127-A130 WeakPolarHBondContact O-CB 3.37Å; P127-A130 PolarHBondContact O-N 3.19Å; P127-L131 PolarHBondContact O-N 2.81Å
128P74.2Confident72.8Confident86 Ų86110.1 Ų110.156%0.55862%0.618SS**Hα-helixtrans-52-29.3-179.3-26.333.9000113.3L131 L132P128-L131 PolarHBondContact O-N 2.87Å; P128-L132 WeakPolarHBondContact O-CB 3.43Å; P128-L132 VanDerWaalsContact O-CG 3.29Å; P128-L132 WeakPolarHBondContact O-CG 3.47Å; P128-L132 PolarHBondContact O-N 2.95Å
129E79.9Confident74.2Confident118 Ų118108 Ų10855%0.55160%0.599SS**Hα-helixtrans-66.9-34.2178-58.272.9-15600112.4P127 K133P127-E129 VanDerWaalsContact CB-OE2 3.31Å; P127-E129 WeakPolarHBondContact CB-OE2 3.22Å; P127-E129 PolarHBondContact O-N 3Å; E129-K133 WeakPolarHBondContact O-CB 3.4Å; E129-K133 VanDerWaalsContact O-CG 3.22Å; E129-K133 WeakPolarHBondContact O-CG 3.46Å; E129-K133 PolarHBondContact O-N 3.31Å; E129-K133 VanDerWaalsContact O-N 3.08Å
130A80.3Confident75.5Confident34 Ų34105.1 Ų105.128%0.28158%0.584SS.*Hα-helixtrans-70.7-4317500000110.8I126 P127 K133 E134I126-A130 HydrophobicContact CG2-CB 3.92Å; P127-A130 HydrophobicContact CG-CB 3.96Å; P127-A130 WeakPolarHBondContact O-CB 3.37Å; P127-A130 PolarHBondContact O-N 3.19Å; A130-K133 PolarHBondContact O-N 2.78Å; A130-E134 WeakPolarHBondContact O-CG 3.45Å; A130-E134 PolarHBondContact O-N 2.98Å
131L80.3Confident76.9Confident102 Ų102104.5 Ų104.553%0.53458%0.577SS.*Hα-helixtrans-65-42.5177.9-166.3153.7000111.6P127 P128 K133 E134 F135P127-L131 PolarHBondContact O-N 2.81Å; P128-L131 PolarHBondContact O-N 2.87Å; L131-K133 VanDerWaalsContact C-N 3.34Å; L131-K133 PolarHBondContact O-N 3.23Å; L131-E134 PolarHBondContact O-N 3.45Å; L131-F135 WeakPolarHBondContact O-CB 2.83Å; L131-F135 PolarHBondContact O-N 3.03Å
132L83.5Confident77.4Confident94 Ų94100.9 Ų100.949%0.49256%0.558SS.*Hα-helixtrans-65.2-37.3175.8-74.3170.8000112.2P128 F135 Q136P128-L132 WeakPolarHBondContact O-CB 3.43Å; P128-L132 VanDerWaalsContact O-CG 3.29Å; P128-L132 WeakPolarHBondContact O-CG 3.47Å; P128-L132 PolarHBondContact O-N 2.95Å; L132-F135 PolarHBondContact O-N 3.36Å; L132-Q136 WeakPolarHBondContact O-CB 3.26Å; L132-Q136 WeakPolarHBondContact O-CG 2.76Å; L132-Q136 PolarHBondContact O-N 3.48Å
133K84.6Confident78.5Confident148 Ų14898.5 Ų98.564%0.64354%0.54SS*.Hα-helixtrans-65.4-44.1175-80.7175.9-179.2-179.80111.8E129 A130 L131 F135 Q136 L137E129-K133 WeakPolarHBondContact O-CB 3.4Å; E129-K133 VanDerWaalsContact O-CG 3.22Å; E129-K133 WeakPolarHBondContact O-CG 3.46Å; E129-K133 PolarHBondContact O-N 3.31Å; E129-K133 VanDerWaalsContact O-N 3.08Å; A130-K133 PolarHBondContact O-N 2.78Å; L131-K133 VanDerWaalsContact C-N 3.34Å; L131-K133 PolarHBondContact O-N 3.23Å; K133-F135 VanDerWaalsContact C-N 3.35Å; K133-Q136 PolarHBondContact O-N 2.69Å; K133-L137 WeakPolarHBondContact O-CB 3.35Å; K133-L137 PolarHBondContact O-N 2.99Å
134E84.2Confident79.3Confident125 Ų125102.9 Ų102.958%0.58454%0.541SS*.Hα-helixtrans-62.5-43.8175.5-74.1178.8-170.700111.5A130 L131 L137 L138A130-E134 WeakPolarHBondContact O-CG 3.45Å; A130-E134 PolarHBondContact O-N 2.98Å; L131-E134 PolarHBondContact O-N 3.45Å; E134-L137 PolarHBondContact O-N 2.88Å; E134-L138 PolarHBondContact O-N 2.99Å
135F84.2Confident79.4Confident110 Ų110104 Ų10448%0.48254%0.537SS..Hα-helixtrans-62.9-43.5176.9-179.2-111.2000112.4L131 L132 K133 L137 L138 L139L131-F135 WeakPolarHBondContact O-CB 2.83Å; L131-F135 PolarHBondContact O-N 3.03Å; L132-F135 PolarHBondContact O-N 3.36Å; K133-F135 VanDerWaalsContact C-N 3.35Å; F135-L137 VanDerWaalsContact C-N 3.27Å; F135-L137 PolarHBondContact O-N 3.08Å; F135-L138 WeakPolarHBondContact O-CB 3.33Å; F135-L138 PolarHBondContact O-N 3.38Å; F135-L139 HydrophobicContact CD1-CD1 3.88Å; F135-L139 HydrophobicContact CD1-CG 4.44Å; F135-L139 HydrophobicContact CE1-CD1 3.32Å; F135-L139 HydrophobicContact CE1-CG 4.04Å; F135-L139 HydrophobicContact CE2-CD1 4.35Å; F135-L139 HydrophobicContact CE2-CD2 4.38Å; F135-L139 HydrophobicContact CE2-CG 4.19Å; F135-L139 HydrophobicContact CZ-CD1 3.59Å; F135-L139 HydrophobicContact CZ-CD2 4.09Å; F135-L139 HydrophobicContact CZ-CG 3.9Å; F135-L139 WeakPolarHBondContact O-CG 3.31Å; F135-L139 PolarHBondContact O-N 2.89Å
136Q88.1Confident79.8Confident124 Ų124105 Ų10558%0.57953%0.53SS*.Hα-helixtrans-61.4-37.5174.5-76.41732.300112L132 K133 L139 K140L132-Q136 WeakPolarHBondContact O-CB 3.26Å; L132-Q136 WeakPolarHBondContact O-CG 2.76Å; L132-Q136 PolarHBondContact O-N 3.48Å; K133-Q136 PolarHBondContact O-N 2.69Å; Q136-L139 PolarHBondContact O-N 3.49Å; Q136-K140 VanDerWaalsContact O-CB 3.32Å; Q136-K140 WeakPolarHBondContact O-CB 3.22Å; Q136-K140 PolarHBondContact O-N 3.27Å
137L89.9Confident79.9Confident134 Ų134105.6 Ų105.670%0.70253%0.53SS*.Hα-helixtrans-70-39.8179-150.9145.6000111.3K133 E134 F135 K140 G141K133-L137 WeakPolarHBondContact O-CB 3.35Å; K133-L137 PolarHBondContact O-N 2.99Å; E134-L137 PolarHBondContact O-N 2.88Å; F135-L137 VanDerWaalsContact C-N 3.27Å; F135-L137 PolarHBondContact O-N 3.08Å; L137-K140 PolarHBondContact O-N 3.46Å; L137-G141 PolarHBondContact O-N 2.97Å
138L86.1Confident79Confident125 Ų125111.4 Ų111.465%0.65454%0.544SS*.Hα-helixtrans-60.5-48171.3-84.1156.7000112E134 F135 K140 G141 A142E134-L138 PolarHBondContact O-N 2.99Å; F135-L138 WeakPolarHBondContact O-CB 3.33Å; F135-L138 PolarHBondContact O-N 3.38Å; L138-K140 VanDerWaalsContact C-N 3.33Å; L138-K140 PolarHBondContact O-N 2.91Å; L138-G141 PolarHBondContact O-N 2.88Å; L138-A142 PolarHBondContact O-N 3.4Å
139L87.1Confident78.1Confident86 Ų86112.9 Ų112.945%0.4555%0.551SS.*Hα-helixtrans-61.4-41.9176.9-74.2178.4000111.8F135 Q136 G141 A142 V143F135-L139 HydrophobicContact CD1-CD1 3.88Å; F135-L139 HydrophobicContact CD1-CG 4.44Å; F135-L139 HydrophobicContact CE1-CD1 3.32Å; F135-L139 HydrophobicContact CE1-CG 4.04Å; F135-L139 HydrophobicContact CE2-CD1 4.35Å; F135-L139 HydrophobicContact CE2-CD2 4.38Å; F135-L139 HydrophobicContact CE2-CG 4.19Å; F135-L139 HydrophobicContact CZ-CD1 3.59Å; F135-L139 HydrophobicContact CZ-CD2 4.09Å; F135-L139 HydrophobicContact CZ-CG 3.9Å; F135-L139 WeakPolarHBondContact O-CG 3.31Å; F135-L139 PolarHBondContact O-N 2.89Å; Q136-L139 PolarHBondContact O-N 3.49Å; L139-G141 VanDerWaalsContact C-N 3.32Å; L139-G141 PolarHBondContact O-N 3.38Å; L139-A142 PolarHBondContact O-N 3.35Å; L139-V143 WeakPolarHBondContact O-CG2 3.29Å; L139-V143 PolarHBondContact O-N 3.49Å
140K87.8Confident76.7Confident131 Ų131114.9 Ų114.957%0.5756%0.56SS**Hα-helixtrans-65.7-35.3177.4-163.5172.9-174.9175.20112.2Q136 L137 L138 R144Q136-K140 VanDerWaalsContact O-CB 3.32Å; Q136-K140 WeakPolarHBondContact O-CB 3.22Å; Q136-K140 PolarHBondContact O-N 3.27Å; L137-K140 PolarHBondContact O-N 3.46Å; L138-K140 VanDerWaalsContact C-N 3.33Å; L138-K140 PolarHBondContact O-N 2.91Å; K140-R144 WeakPolarHBondContact O-CB 3.38Å; K140-R144 VanDerWaalsContact O-CG 3.28Å; K140-R144 WeakPolarHBondContact O-CG 3.39Å; K140-R144 PolarHBondContact O-N 3.38Å
141G82.5Confident75.1Confident39 Ų39121.1 Ų121.140%0.40258%0.583SS.*Hα-helixtrans-65.1-45171.700000112.5L137 L138 L139 R144 Q145L137-G141 PolarHBondContact O-N 2.97Å; L138-G141 PolarHBondContact O-N 2.88Å; L139-G141 VanDerWaalsContact C-N 3.32Å; L139-G141 PolarHBondContact O-N 3.38Å; G141-R144 PolarHBondContact O-N 3.18Å; G141-Q145 PolarHBondContact O-N 2.89Å
142A75.6Confident73.3Confident46 Ų46123.1 Ų123.138%0.3859%0.59SS.*Hα-helixtrans-65.8-39.9179.400000113L138 L139 Q145 R146L138-A142 PolarHBondContact O-N 3.4Å; L139-A142 PolarHBondContact O-N 3.35Å; A142-Q145 PolarHBondContact O-N 2.86Å; A142-R146 PolarHBondContact O-N 2.88Å; A142-R146 VanDerWaalsContact O-N 3.14Å
143V79.3Confident71.6Confident75 Ų75123.7 Ų123.746%0.45560%0.599SS.*Hα-helixtrans-65.3-45.6175.8172.30000110.8L139 Q145 R146 E147L139-V143 WeakPolarHBondContact O-CG2 3.29Å; L139-V143 PolarHBondContact O-N 3.49Å; V143-Q145 PolarHBondContact O-N 2.86Å; V143-R146 PolarHBondContact O-N 3.34Å; V143-R146 VanDerWaalsContact O-N 3.09Å; V143-E147 HydrophobicContact CG1-CG 4.34Å; V143-E147 WeakPolarHBondContact O-CG 3.31Å; V143-E147 PolarHBondContact O-N 3Å
144R73.3Confident69.3Low143 Ų143121.4 Ų121.454%0.5460%0.601SS.*Hα-helixtrans-61.8-31.7175.9-75.5178.1174.1-137.7-7.2113.3K140 G141 R148K140-R144 WeakPolarHBondContact O-CB 3.38Å; K140-R144 VanDerWaalsContact O-CG 3.28Å; K140-R144 WeakPolarHBondContact O-CG 3.39Å; K140-R144 PolarHBondContact O-N 3.38Å; G141-R144 PolarHBondContact O-N 3.18Å; R144-R148 WeakPolarHBondContact O-CB 3.34Å; R144-R148 VanDerWaalsContact O-CG 3.23Å; R144-R148 WeakPolarHBondContact O-CG 3.47Å; R144-R148 PolarHBondContact O-N 2.97Å
145Q66Low67.1Low137 Ų137122 Ų12264%0.6461%0.613SS**Hα-helixtrans-70.5-38175.6-169.1169.84.600111.4G141 A142 V143 V149G141-Q145 PolarHBondContact O-N 2.89Å; A142-Q145 PolarHBondContact O-N 2.86Å; V143-Q145 PolarHBondContact O-N 2.86Å; Q145-V149 WeakPolarHBondContact O-CG2 3.22Å; Q145-V149 PolarHBondContact O-N 3.49Å; Q145-V149 VanDerWaalsContact O-N 3.12Å
146R65.4Low64.8Low189 Ų189122.7 Ų122.771%0.71363%0.63SS**Hα-helixtrans-68-43.9173.3-68.7-177176.1-166.9-1.5111.9A142 V143 R148 V149 E150A142-R146 PolarHBondContact O-N 2.88Å; A142-R146 VanDerWaalsContact O-N 3.14Å; V143-R146 PolarHBondContact O-N 3.34Å; V143-R146 VanDerWaalsContact O-N 3.09Å; R146-R148 VanDerWaalsContact C-N 3.34Å; R146-R148 PolarHBondContact O-N 2.82Å; R146-V149 PolarHBondContact O-N 2.89Å; R146-V149 VanDerWaalsContact O-N 3.15Å; R146-E150 WeakPolarHBondContact O-CG 3.44Å; R146-E150 PolarHBondContact O-N 3.05Å
147E67.6Low62.2Low103 Ų103119.9 Ų119.948%0.48163%0.634SS.*Hα-helixtrans-61.8-38.6175.5-71.7172.2170.900112.3V143 V149 E150 H151V143-E147 HydrophobicContact CG1-CG 4.34Å; V143-E147 WeakPolarHBondContact O-CG 3.31Å; V143-E147 PolarHBondContact O-N 3Å; E147-V149 VanDerWaalsContact C-N 3.35Å; E147-E150 PolarHBondContact O-N 2.83Å; E147-H151 WeakPolarHBondContact O-CB 3.43Å; E147-H151 PolarHBondContact O-N 3.05Å
148R58.3Low59.9Low191 Ų191120 Ų12072%0.72164%0.643SS**Hα-helixtrans-67-34.1174.4-78.3175.6-177.7-96.60.6113.1R144 R146 E150R144-R148 WeakPolarHBondContact O-CB 3.34Å; R144-R148 VanDerWaalsContact O-CG 3.23Å; R144-R148 WeakPolarHBondContact O-CG 3.47Å; R144-R148 PolarHBondContact O-N 2.97Å; R146-R148 VanDerWaalsContact C-N 3.34Å; R146-R148 PolarHBondContact O-N 2.82Å; R148-E150 VanDerWaalsContact C-N 3.34Å
149V56.2Low57.4Low117 Ų117119.1 Ų119.171%0.70965%0.653SS**Hα-helixtrans-74.4-27175.5171.20000111.4Q145 R146 E147Q145-V149 WeakPolarHBondContact O-CG2 3.22Å; Q145-V149 PolarHBondContact O-N 3.49Å; Q145-V149 VanDerWaalsContact O-N 3.12Å; R146-V149 PolarHBondContact O-N 2.89Å; R146-V149 VanDerWaalsContact O-N 3.15Å; E147-V149 VanDerWaalsContact C-N 3.35Å
150E49.8Very low54.7Low159 Ų159118.6 Ų118.674%0.74367%0.669SS**Hα-helixtrans-84.6-25.4177.1-73.4-178.3172.200113.9R146 E147 R148R146-E150 WeakPolarHBondContact O-CG 3.44Å; R146-E150 PolarHBondContact O-N 3.05Å; E147-E150 PolarHBondContact O-N 2.83Å; R148-E150 VanDerWaalsContact C-N 3.34Å
151H48Very low52.1Low166 Ų166117.9 Ų117.977%0.76968%0.681SS**SBendtrans-105.19-176.3-89.9-79.4000116.1E147 P153E147-H151 WeakPolarHBondContact O-CB 3.43Å; E147-H151 PolarHBondContact O-N 3.05Å; H151-P153 WeakPolarHBondContact O-CD 3.41Å
152E41.7Very low49.6Very low144 Ų144122.6 Ų122.667%0.67370%0.701SS**  trans-102.986.4171.1-159.6-175.2169.100111.2C154E152-C154 PolarHBondContact O-N 2.77Å
153P47.8Very low47.4Very low106 Ų106124.7 Ų124.769%0.68872%0.719SS**  trans-68.2108.7152.97.93.8000107.1H151 T155H151-P153 WeakPolarHBondContact O-CD 3.41Å; P153-T155 VanDerWaalsContact C-N 3.32Å; P153-T155 PolarHBondContact O-N 3.4Å
154C37Very low45.1Very low100 Ų100125.5 Ų125.568%0.67673%0.733SS**  trans-60.593171.7-61.20000110E152 C156E152-C154 PolarHBondContact O-N 2.77Å; C154-C156 PolarHBondContact O-N 3.08Å; C154-C156 VanDerWaalsContact O-N 3.17Å
155T37.6Very low43.1Very low137 Ų137123.6 Ų123.684%0.8474%0.742SS**  trans-77.688.9161.636.30000108.8P153P153-T155 VanDerWaalsContact C-N 3.32Å; P153-T155 PolarHBondContact O-N 3.4Å
156C35.2Very low41.5Very low125 Ų125125 Ų12585%0.84575%0.753SS**  trans-9594.5156.8-76.10000107.7C154C154-C156 PolarHBondContact O-N 3.08Å; C154-C156 VanDerWaalsContact O-N 3.17Å
157G34Very low39.8Very low64 Ų64120 Ų12066%0.6675%0.752SS**  trans-71.3151.617000000111.5
158P42Very low38.5Very low137 Ų137120.5 Ų120.589%0.8976%0.764SS**  trans-84.5131-178.432.9-30.1000110.8
159A34.5Very low37Very low106 Ų106117.6 Ų117.688%0.87677%0.767SS**  trans-120.9120.316100000108
160G30.1Very low35.8Very low75 Ų75117.2 Ų117.277%0.77377%0.77SS**  trans146.366.5168.400000116.6
161S31.6Very low35.1Very low117 Ų117113.8 Ų113.882%0.81877%0.769SS**  trans23.9111.7131.7154.30000118.2
162V31.2Very low34.1Very low138 Ų138112.7 Ų112.784%0.83677%0.774SS**  trans-152.8137.3135-172.90000110.5
163A29.8Very low34Very low90 Ų90110.1 Ų110.174%0.74478%0.777SS**  trans69.5109.5158.300000117.8
164A30.2Very low33.3Very low92 Ų92116.6 Ų116.676%0.7679%0.788SS**  104.2111.862.900000109.5
165S30.5Very low33.6Very low103 Ų103120.7 Ų120.772%0.7280%0.797SS**  trans40.3110133.7-161.90000117.4
166L32.5Very low33.4Very low166 Ų166122.1 Ų122.187%0.86980%0.8SS**  171115.7107.9-85.1164.6000109.2
167A29.7Very low34.2Very low84 Ų84123 Ų12369%0.69480%0.796SS**  trans-99.5165.1144.900000105.6
168P40.2Very low34.9Very low113 Ų113127 Ų12773%0.73480%0.802SS**  cis-156.7174.841.445.7-23.4000118.6
169V28.5Very low35.1Very low130 Ų130127.9 Ų127.979%0.78880%0.799SS**  trans50.4134154.6-1300000118.4
170S30.9Very low35.6Very low110 Ų110126.1 Ų126.177%0.76979%0.785SS**  cis-173.1158.147.3-35.10000113.3
171A33.3Very low36.4Very low87 Ų87126 Ų12672%0.71978%0.777SS**  trans-26.1144.6167.400000119.9
172T29Very low37.2Very low142 Ų142128.4 Ų128.487%0.87178%0.775SS**  -170.7144.6105.329.60000110.6
173A38.2Very low38Very low91 Ų91127.3 Ų127.375%0.75276%0.764SS**  trans-70.4139169.400000110.6
174R32.8Very low38.9Very low241 Ų241127.2 Ų127.291%0.90975%0.754SS**  trans-174141.2132.3-99.3162.2-167.4-168.83.3110.4
175E43.2Very low39.7Very low187 Ų187128.5 Ų128.587%0.87475%0.748SS**  trans-67.4135.7174.9-61.5153.1137.200109.5
176D34.4Very low40.7Very low167 Ų167126.4 Ų126.489%0.89374%0.737SS**  trans-156.4119.8135.6-112.7-19.8000108.1
177D50.8Low41.3Very low143 Ų143124.7 Ų124.777%0.76573%0.728SS**  trans-67.9137.4169.5-114.9-41000108.7
178D49.5Very low42.1Very low148 Ų148127.4 Ų127.479%0.79173%0.73SS**  trans154.314.2144.1-87.9-32.9000116.7
179D47.1Very low42.5Very low155 Ų155125.6 Ų125.683%0.82973%0.725SS**  trans-12016.7171.4-73.7-50.8000114.3A181D179-A181 VanDerWaalsContact C-N 3.29Å; D179-A181 PolarHBondContact O-N 3.4Å
180A45.1Very low43.3Very low69 Ų69122.6 Ų122.657%0.5771%0.713SS**Hα-helixtrans-81.2-1.3179.600000114.2V184A180-V184 WeakPolarHBondContact O-CG2 3.45Å
181A47Very low44Very low74 Ų74123.2 Ų123.261%0.61272%0.715SS**Hα-helixtrans-89.6-29.2-177.700000113.7D179D179-A181 VanDerWaalsContact C-N 3.29Å; D179-A181 PolarHBondContact O-N 3.4Å
182E47.1Very low44.6Very low167 Ų167127.3 Ų127.378%0.7872%0.724SS**Hα-helixtrans-79.8-32.8177.3-87.2-150.7145.600113L185 A186E182-L185 PolarHBondContact O-N 3.4Å; E182-A186 PolarHBondContact O-N 3.26Å
183D47.6Very low45.5Very low114 Ų114124.5 Ų124.561%0.6172%0.715SS**Hα-helixtrans-73.4-30.8-178.7-158.739.5000112.1A186 L187D183-A186 PolarHBondContact O-N 3.03Å; D183-L187 PolarHBondContact O-N 3.39Å; D183-L187 VanDerWaalsContact O-N 3.16Å
184V48.7Very low46.3Very low88 Ų88124.8 Ų124.853%0.53371%0.709SS.*Hα-helixtrans-73.7-31174.5-179.50000111.4A180 L188A180-V184 WeakPolarHBondContact O-CG2 3.45Å; V184-L188 WeakPolarHBondContact O-CG 3.38Å; V184-L188 PolarHBondContact O-N 2.89Å
185L47.8Very low47.1Very low120 Ų120115.6 Ų115.663%0.62869%0.689SS**Hα-helixtrans-74.6-30.8172.9-94.7158.8000112.6E182 L188 A189E182-L185 PolarHBondContact O-N 3.4Å; L185-L188 PolarHBondContact O-N 3.32Å; L185-A189 PolarHBondContact O-N 3.42Å
186A50.4Low47.7Very low59 Ų59113 Ų11349%0.48869%0.688SS.*Hα-helixtrans-69.5-35.6173.500000112.5E182 D183 L188 A189E182-A186 PolarHBondContact O-N 3.26Å; D183-A186 PolarHBondContact O-N 3.03Å; A186-L188 VanDerWaalsContact C-N 3.29Å; A186-L188 PolarHBondContact O-N 2.97Å; A186-A189 PolarHBondContact O-N 2.85Å; A186-A189 VanDerWaalsContact O-N 3.12Å
187L46.3Very low48.8Very low130 Ų130115 Ų11568%0.68168%0.683SS**Hα-helixtrans-67.7-25.2173.4-90.3153.7000113.7D183 A189D183-L187 PolarHBondContact O-N 3.39Å; D183-L187 VanDerWaalsContact O-N 3.16Å; L187-A189 VanDerWaalsContact C-N 3.31Å
188L45.7Very low48.9Very low141 Ų141113.5 Ų113.574%0.73868%0.679SS**THydrogen-bonded Turntrans-82.3-9.1172.8-65.3173.2000113.2V184 L185 A186V184-L188 WeakPolarHBondContact O-CG 3.38Å; V184-L188 PolarHBondContact O-N 2.89Å; L185-L188 PolarHBondContact O-N 3.32Å; A186-L188 VanDerWaalsContact C-N 3.29Å; A186-L188 PolarHBondContact O-N 2.97Å
189A49.1Very low49.4Very low75 Ų75112.4 Ų112.462%0.6268%0.68SS**THydrogen-bonded Turntrans-104.29.4179.200000113.7L185 A186 L187 P191L185-A189 PolarHBondContact O-N 3.42Å; A186-A189 PolarHBondContact O-N 2.85Å; A186-A189 VanDerWaalsContact O-N 3.12Å; L187-A189 VanDerWaalsContact C-N 3.31Å; A189-P191 WeakPolarHBondContact O-CD 3.1Å
190A45.5Very low50.6Low66 Ų66115.1 Ų115.155%0.54568%0.679SS.*SBendtrans-62.9123.7172.300000109.6L192A190-L192 PolarHBondContact O-N 2.89Å
191P45.9Very low52.4Low123 Ų123114.6 Ų114.680%0.79967%0.668SS**  trans-57.8117.2174.6-1828.9000107.7A189 A193A189-P191 WeakPolarHBondContact O-CD 3.1Å; P191-A193 PolarHBondContact O-N 3.41Å
192L45.9Very low54.1Low173 Ų173116.2 Ų116.291%0.90666%0.663SS**  trans-47.5105.5169.4-69.1167.3000107.3A190A190-L192 PolarHBondContact O-N 2.89Å
193A48.4Very low56.2Low83 Ų83108.2 Ų108.269%0.68663%0.626SS**  trans-50.1136.1173.800000107P191 G195P191-A193 PolarHBondContact O-N 3.41Å; A193-G195 PolarHBondContact O-N 3.49Å
194P53.1Low58.4Low98 Ų98103.1 Ų103.164%0.63660%0.6SS**  trans-58.8106.7178.3-15.126.8000107.1
195G49.8Very low60.5Low47 Ų4799 Ų9949%0.48558%0.575SS.*  trans-54.2168.2169.400000110A193 R197A193-G195 PolarHBondContact O-N 3.49Å; G195-R197 PolarHBondContact O-N 3.36Å
196P56.8Low62.7Low132 Ų13294.7 Ų94.786%0.85755%0.552SS**SBendtrans-46114.1-179.6-23.130.9000108.7V198P196-V198 VanDerWaalsContact C-N 3.31Å; P196-V198 PolarHBondContact O-N 3.17Å
197R57.8Low64.8Low210 Ų21091.9 Ų91.979%0.79253%0.528SS*.  trans-64.198.8-173.8-67.5-175.9176.4129.6-0.6106.4G195G195-R197 PolarHBondContact O-N 3.36Å
198V53.4Low67.1Low111 Ų11190.3 Ų90.367%0.67351%0.513SS*.  trans-41.4135.5157.3-174.80000105.7P196 R200P196-V198 VanDerWaalsContact C-N 3.31Å; P196-V198 PolarHBondContact O-N 3.17Å; V198-R200 PolarHBondContact O-N 2.89Å
199P58.8Low69.5Low125 Ų12583.7 Ų83.781%0.81248%0.479SS*.  trans-5491.1179.3-23.832.1000109.6V201P199-V201 PolarHBondContact O-N 2.98Å
200R72.2Confident71.7Confident213 Ų21388.8 Ų88.880%0.80448%0.482SS*.  trans-85.8105.2-177.1-89.9-174.7166.1-154.6-1.4103.1V198 E202V198-R200 PolarHBondContact O-N 2.89Å; R200-E202 PolarHBondContact O-N 2.78Å
201V82.3Confident74Confident58 Ų5893.6 Ų93.635%0.35249%0.486SS..  trans-44.4115.9164.3178.90000106.4P199 A204 R237 V349P199-V201 PolarHBondContact O-N 2.98Å; V201-A204 HydrophobicContact CG1-CB 3.55Å; V201-R237 WeakPolarHBondContact O-CD 3.22Å; V201-R237 PolarHBondContact O-NH1 2.93Å; V201-V349 HydrophobicContact CG1-CG1 3.85Å
202E84.6Confident76.4Confident107 Ų10792.2 Ų92.250%0.547%0.472SS..SBendtrans-83.3-36.8-170.6-165.8180160.800111R200 V252 L350R200-E202 PolarHBondContact O-N 2.78Å; E202-V252 WeakPolarHBondContact OE1-CG1 3.36Å; E202-L350 HydrophobicContact CB-CD2 3.73Å
203A90.2Very high78.7Confident0 Ų084.8 Ų84.80%044%0.436CS..SBendtrans-137.5127.5177.900000110R237 Y248 P251 Y256 L350A203-R237 WeakPolarHBondContact CA-O 3.43Å; A203-Y248 VanDerWaalsContact CB-OH 3.26Å; A203-Y248 WeakPolarHBondContact CB-OH 3.18Å; A203-P251 HydrophobicContact CB-CG 3.85Å; A203-Y256 HydrophobicContact CB-CE1 4.46Å; A203-L350 HydrophobicContact CB-CB 4.26Å; A203-L350 PolarHBondContact O-N 3.13Å
204A93.4Very high80.9Confident7 Ų784.3 Ų84.36%0.05842%0.421CS..EExtended strand (participates in β ladder)trans-159.3141175.700000110V201 F235 R236 R237 A348 V349V201-A204 HydrophobicContact CG1-CB 3.55Å; A204-F235 HydrophobicContact CB-CD2 3.76Å; A204-F235 HydrophobicContact CB-CE2 3.8Å; A204-R236 CarbonylContact O-C 3.51Å; A204-R236 WeakPolarHBondContact O-CA 3.43Å; A204-R237 PolarHBondContact N-O 2.81Å; A204-R237 PolarHBondContact O-N 2.86Å; A204-A348 CarbonylContact C-O 3.54Å; A204-A348 WeakPolarHBondContact CA-O 3.33Å; A204-V349 HydrophobicContact CB-CB 4.41Å; A204-V349 HydrophobicContact CB-CG1 4.27Å; A204-V349 HydrophobicContact CB-CG2 4.08Å
205F94Very high82.9Confident2 Ų279.7 Ų79.71%0.00939%0.391CS..EExtended strand (participates in β ladder)trans-149.6156.2172.968.2-88.5000112.3C207 F235 L241 Y248 F346 S347 A348F205-C207 HydrophobicContact CD2-CB 4.49Å; F205-F235 CarbonylContact C-O 3.39Å; F205-F235 VanDerWaalsContact CA-O 3.26Å; F205-F235 WeakPolarHBondContact CA-O 3.39Å; F205-F235 WeakPolarHBondContact O-CE2 3.27Å; F205-L241 HydrophobicContact CB-CD2 4.05Å; F205-L241 HydrophobicContact CD1-CB 4.48Å; F205-L241 HydrophobicContact CD1-CD1 4.48Å; F205-L241 HydrophobicContact CD2-CD1 3.92Å; F205-L241 HydrophobicContact CD2-CD2 3.61Å; F205-L241 HydrophobicContact CD2-CG 4.31Å; F205-L241 HydrophobicContact CE1-CD1 4.26Å; F205-L241 HydrophobicContact CE2-CD1 3.66Å; F205-L241 HydrophobicContact CE2-CD2 4.23Å; F205-L241 HydrophobicContact CG-CB 4.48Å; F205-L241 HydrophobicContact CG-CD1 4.33Å; F205-L241 HydrophobicContact CG-CD2 3.81Å; F205-L241 HydrophobicContact CG-CG 4.43Å; F205-L241 HydrophobicContact CZ-CD1 3.85Å; F205-Y248 AromaticContact CD1-CD2 3.67Å; F205-Y248 HydrophobicContact CD1-CD2 3.67Å; F205-Y248 AromaticContact CD1-CE2 3.75Å; F205-Y248 HydrophobicContact CD1-CE2 3.75Å; F205-Y248 HydrophobicContact CD1-CG 4.31Å; F205-Y248 AromaticContact CE1-CD1 3.95Å; F205-Y248 HydrophobicContact CE1-CD1 3.95Å; F205-Y248 AromaticContact CE1-CD2 3.13Å; F205-Y248 HydrophobicContact CE1-CD2 3.13Å; F205-Y248 HydrophobicContact CE1-CE1 4.3Å; F205-Y248 AromaticContact CE1-CE2 3.54Å; F205-Y248 HydrophobicContact CE1-CE2 3.54Å; F205-Y248 AromaticContact CE1-CG 3.34Å; F205-Y248 HydrophobicContact CE1-CG 3.34Å; F205-Y248 AromaticContact CZ-CD2 3.99Å; F205-Y248 HydrophobicContact CZ-CD2 3.99Å; F205-Y248 AromaticContact CZ-CG 3.87Å; F205-Y248 HydrophobicContact CZ-CG 3.87Å; F205-F346 AromaticContact CE2-CD1 3.71Å; F205-F346 HydrophobicContact CE2-CD1 3.71Å; F205-F346 AromaticContact CE2-CE1 3.82Å; F205-F346 HydrophobicContact CE2-CE1 3.82Å; F205-F346 HydrophobicContact CE2-CG 4.26Å; F205-F346 HydrophobicContact CE2-CZ 4.42Å; F205-F346 AromaticContact CZ-CD1 3.97Å; F205-F346 HydrophobicContact CZ-CD1 3.97Å; F205-F346 AromaticContact CZ-CE1 3.56Å; F205-F346 HydrophobicContact CZ-CE1 3.56Å; F205-F346 AromaticContact CZ-CZ 3.9Å; F205-F346 HydrophobicContact CZ-CZ 3.9Å; F205-S347 WeakPolarHBondContact O-CA 3.17Å; F205-S347 WeakPolarHBondContact O-CB 3.17Å; F205-A348 HydrophobicContact CD1-CB 4Å; F205-A348 HydrophobicContact CE1-CB 3.25Å; F205-A348 HydrophobicContact CZ-CB 3.6Å; F205-A348 PolarHBondContact N-O 3.21Å; F205-A348 PolarHBondContact O-N 3.34Å
206L94.1Very high85Confident28 Ų2882.3 Ų82.315%0.14739%0.391CS..EExtended strand (participates in β ladder)trans-130121.1163.8174.868.1000108F235 H345L206-F235 HydrophobicContact CB-CD1 4.21Å; L206-F235 HydrophobicContact CB-CE1 3.84Å; L206-F235 HydrophobicContact CB-CE2 4.36Å; L206-F235 HydrophobicContact CB-CZ 3.93Å; L206-F235 HydrophobicContact CD2-CE1 4.46Å; L206-F235 PolarHBondContact N-O 2.82Å; L206-H345 HydrophobicContact CD1-CB 4.06Å
207C93.9Very high86.6Confident0 Ų083.9 Ų83.90%038%0.38CS..EExtended strand (participates in β ladder)trans-124.4158.1175.767.30000111.2F205 Y226 Y227 L228 L241 L243 H345 F346F205-C207 HydrophobicContact CD2-CB 4.49Å; C207-Y226 HydrophobicContact CB-CD1 4.4Å; C207-Y226 HydrophobicContact CB-CG 4.42Å; C207-Y226 VanDerWaalsContact SG-CD1 3.59Å; C207-Y227 WeakPolarHBondContact CA-O 3.13Å; C207-L228 HydrophobicContact CB-CD2 4.28Å; C207-L241 HydrophobicContact CB-CD2 4.2Å; C207-L243 HydrophobicContact CB-CD2 4.29Å; C207-H345 VanDerWaalsContact O-CA 3.24Å; C207-H345 WeakPolarHBondContact O-CA 3.35Å; C207-H345 WeakPolarHBondContact O-CB 3.13Å; C207-F346 PolarHBondContact N-O 2.96Å; C207-F346 PolarHBondContact O-N 2.86Å; C207-F346 PolarHBondContact SG-O 2.88Å; C207-F346 VanDerWaalsContact SG-O 3.34Å
208R95Very high88.2Confident97 Ų9782 Ų8237%0.36637%0.372SS..EExtended strand (participates in β ladder)trans-124.6146.6179.8-70.6-176.1-179.5-175.40.3111R210 Y226 Y227 P229 S344 H345R208-R210 PolarHBondContact O-N 3.07Å; R208-Y226 CarbonylContact O-C 3.56Å; R208-Y226 VanDerWaalsContact O-CA 3.22Å; R208-Y226 WeakPolarHBondContact O-CA 3.33Å; R208-Y227 HydrophobicContact CB-CD1 4.16Å; R208-Y227 HydrophobicContact CB-CE1 3.55Å; R208-Y227 HydrophobicContact CB-CE2 4.41Å; R208-Y227 PolarHBondContact N-O 2.81Å; R208-Y227 WeakPolarHBondContact O-CD1 3.03Å; R208-Y227 PolarHBondContact O-N 3.42Å; R208-P229 HydrophobicContact CG-CG 4.2Å; R208-S344 CarbonylContact C-O 3.6Å; R208-S344 VanDerWaalsContact CA-O 3.3Å; R208-S344 WeakPolarHBondContact CA-O 3.15Å; R208-H345 HydrophobicContact CG-CB 4.17Å
209L95.6Very high90.1Very high3 Ų378.1 Ų78.12%0.01635%0.352CS..EExtended strand (participates in β ladder)trans-68.1127.5177.9-167.270.6000109.6R211 A213 G224 Y226 Y227 V340 G343 S344L209-R211 VanDerWaalsContact CD2-O 3.31Å; L209-R211 WeakPolarHBondContact CD2-O 3.13Å; L209-R211 WeakPolarHBondContact CG-O 3.49Å; L209-A213 HydrophobicContact CD2-CB 4.19Å; L209-G224 WeakPolarHBondContact CD1-O 3.43Å; L209-Y226 HydrophobicContact CB-CD1 4.49Å; L209-Y226 HydrophobicContact CB-CE1 4.42Å; L209-Y226 HydrophobicContact CD1-CD1 4.38Å; L209-Y226 HydrophobicContact CD1-CE1 4.08Å; L209-Y227 WeakPolarHBondContact O-CE1 3.46Å; L209-V340 HydrophobicContact CD2-CB 4.3Å; L209-V340 HydrophobicContact CD2-CG1 3.78Å; L209-G343 PolarHBondContact O-N 3.3Å; L209-S344 PolarHBondContact N-O 3.29Å
210R94.4Very high91.8Very high181 Ų18176.6 Ų76.668%0.68334%0.337SS*.SBendtrans-75.1-32.6-171-168.7173.9-175.5-167.11.1113.9R208 V225 Y227R208-R210 PolarHBondContact O-N 3.07Å; R210-V225 HydrophobicContact CB-CG1 4.27Å; R210-V225 WeakPolarHBondContact CB-O 3.1Å; R210-V225 PolarHBondContact N-O 3.07Å; R210-Y227 HydrophobicContact CB-CD1 3.9Å; R210-Y227 HydrophobicContact CG-CD1 4.19Å
211R94.8Very high92.9Very high168 Ų16869.6 Ų69.663%0.63431%0.313SS*.SBendtrans-146161.6-176.460.8-180174.8179.5-0.2109.8L209 A213L209-R211 VanDerWaalsContact CD2-O 3.31Å; L209-R211 WeakPolarHBondContact CD2-O 3.13Å; L209-R211 WeakPolarHBondContact CG-O 3.49Å; R211-A213 PolarHBondContact O-N 2.61Å
212D95.6Very high93.5Very high93 Ų9370 Ų7050%0.49731%0.311SS..  trans-63.3134.2176.3-58.5-8.8000110.3V340 S342D212-V340 CarbonylContact C-O 3.48Å; D212-V340 WeakPolarHBondContact CA-O 3.26Å; D212-S342 WeakPolarHBondContact OD1-CB 3.01Å; D212-S342 PolarHBondContact OD1-N 3.44Å; D212-S342 PolarHBondContact OD1-OG 2.86Å; D212-S342 VanDerWaalsContact OD1-OG 3.07Å
213A94.6Very high94.1Very high17 Ų1764.9 Ų64.914%0.1429%0.287CS..EExtended strand (participates in β ladder)trans-109.2120178.600000110L209 R211 L223 T339 V340L209-A213 HydrophobicContact CD2-CB 4.19Å; R211-A213 PolarHBondContact O-N 2.61Å; A213-L223 HydrophobicContact CB-CD2 3.99Å; A213-T339 CarbonylContact O-C 3.52Å; A213-T339 WeakPolarHBondContact O-CA 3.22Å; A213-V340 HydrophobicContact CB-CB 4.35Å; A213-V340 PolarHBondContact N-O 3.33Å; A213-V340 PolarHBondContact O-N 2.59Å
214L94.8Very high94.2Very high74 Ų7465.8 Ų65.839%0.38730%0.296SS..EExtended strand (participates in β ladder)trans-78.8124.9175.8-177.669.9000109.7T339L214-T339 HydrophobicContact CD1-CG2 3.82Å
215V95.3Very high94.3Very high0 Ų067.7 Ų67.70%031%0.307CS..EExtended strand (participates in β ladder)trans-112.9117.4175.2-177.90000108.7H221 L330 N332 S337 L338 V340V215-H221 HydrophobicContact CB-CB 4.37Å; V215-H221 HydrophobicContact CG1-CB 3.85Å; V215-H221 HydrophobicContact CG2-CB 3.87Å; V215-L330 HydrophobicContact CG2-CD2 4.26Å; V215-N332 HydrophobicContact CG1-CB 3.68Å; V215-S337 WeakPolarHBondContact O-CA 3.42Å; V215-L338 HydrophobicContact CB-CD1 3.59Å; V215-L338 HydrophobicContact CB-CG 4.03Å; V215-L338 HydrophobicContact CG1-CD1 4.28Å; V215-L338 HydrophobicContact CG2-CD1 3.89Å; V215-L338 PolarHBondContact N-O 3.4Å; V215-L338 PolarHBondContact O-N 2.84Å; V215-V340 HydrophobicContact CG2-CG2 4.04Å
216E93.3Very high94.4Very high102 Ų10268 Ų6848%0.47731%0.309SS..  trans-66160.8179.3-71.3-61.2156.900112.3A219 N332E216-A219 HydrophobicContact CB-CB 3.99Å; E216-N332 WeakPolarHBondContact O-CB 2.97Å; E216-N332 PolarHBondContact O-ND2 2.85Å
217R91.4Very high94.4Very high166 Ų16670.8 Ų70.863%0.62632%0.317SS*.THydrogen-bonded Turntrans-65.1140.2174.260.1-173.7168.6-177.1-4.7111A219 G335R217-A219 PolarHBondContact O-N 2.97Å; R217-G335 WeakPolarHBondContact CB-O 3.4Å; R217-G335 WeakPolarHBondContact CD-O 3.34Å
218R91.1Very high94.3Very high170 Ų17072.6 Ų72.664%0.64233%0.327SS*.THydrogen-bonded Turntrans54.836.8178.6-53.8-175.5-179.8-72.2-10.5113.2N332 S334R218-N332 CarbonylContact C-O 3.58Å; R218-N332 WeakPolarHBondContact CA-O 3.43Å; R218-N332 PolarHBondContact N-O 2.8Å; R218-S334 PolarHBondContact N-O 3.23Å
219A93.5Very high94Very high30 Ų3068.5 Ų68.525%0.24831%0.313CS..EExtended strand (participates in β ladder)trans-128.2142.7-175.600000111.6E216 R217 N332E216-A219 HydrophobicContact CB-CB 3.99Å; R217-A219 PolarHBondContact O-N 2.97Å; A219-N332 PolarHBondContact N-O 2.88Å; A219-N332 PolarHBondContact O-N 2.95Å
220L94.2Very high93.3Very high93 Ų9376.4 Ų76.449%0.48736%0.355SS..EExtended strand (participates in β ladder)trans-90.7124.6166.6-176.570.1000108.6L284 F329 D331L220-L284 HydrophobicContact CD1-CD1 4.17Å; L220-F329 HydrophobicContact CD1-CB 3.84Å; L220-F329 HydrophobicContact CD1-CD1 4.38Å; L220-F329 HydrophobicContact CD1-CG 4.49Å; L220-F329 HydrophobicContact CD2-CD1 4.19Å; L220-F329 HydrophobicContact CG-CB 4.44Å; L220-F329 HydrophobicContact CG-CD1 4.07Å; L220-D331 HydrophobicContact CD1-CB 3.75Å
221H95.1Very high92.6Very high66 Ų6670.5 Ų70.531%0.30635%0.345SS..EExtended strand (participates in β ladder)trans-121.6127.1-178.7-169.681.8000111.2V215 F329 L330V215-H221 HydrophobicContact CB-CB 4.37Å; V215-H221 HydrophobicContact CG1-CB 3.85Å; V215-H221 HydrophobicContact CG2-CB 3.87Å; H221-F329 CarbonylContact O-C 3.53Å; H221-F329 VanDerWaalsContact O-CA 3.3Å; H221-F329 WeakPolarHBondContact O-CA 3.39Å; H221-L330 PolarHBondContact N-O 2.93Å; H221-L330 PolarHBondContact O-N 3.16Å
222E95.6Very high91.3Very high65 Ų6572.3 Ų72.330%0.30436%0.361SS..EExtended strand (participates in β ladder)trans-82.4122.2172.2-168.5172.1-177.800109.4Q247 S327 F329E222-Q247 PolarHBondContact OE1-NE2 2.82Å; E222-S327 VanDerWaalsContact OE1-CB 3.29Å; E222-S327 WeakPolarHBondContact OE1-CB 3.38Å; E222-S327 PolarHBondContact OE1-OG 2.96Å; E222-F329 HydrophobicContact CB-CD1 3.77Å; E222-F329 HydrophobicContact CB-CE1 3.45Å; E222-F329 VanDerWaalsContact CB-CE1 3.45Å; E222-F329 HydrophobicContact CB-CZ 4.1Å; E222-F329 HydrophobicContact CG-CD1 4.12Å; E222-F329 HydrophobicContact CG-CE1 3.61Å; E222-F329 HydrophobicContact CG-CE2 4.35Å; E222-F329 HydrophobicContact CG-CZ 3.7Å
223L95.6Very high90.2Very high0 Ų070.6 Ų70.60%037%0.366CS..  trans-82.1127.2178.4-67174.3000110.2A213 Y226 L262 V328 V340A213-L223 HydrophobicContact CB-CD2 3.99Å; L223-Y226 WeakPolarHBondContact CB-OH 3.49Å; L223-Y226 VanDerWaalsContact O-CE2 3.28Å; L223-Y226 WeakPolarHBondContact O-CE2 3.2Å; L223-Y226 PolarHBondContact O-OH 3.02Å; L223-L262 HydrophobicContact CD1-CD1 3.48Å; L223-L262 VanDerWaalsContact CD1-CD1 3.48Å; L223-L262 HydrophobicContact CD1-CD2 3.48Å; L223-L262 VanDerWaalsContact CD1-CD2 3.48Å; L223-L262 HydrophobicContact CD1-CG 4.14Å; L223-V328 HydrophobicContact CD1-CG1 4.05Å; L223-V328 PolarHBondContact N-O 3.29Å; L223-V340 HydrophobicContact CD1-CG1 4.34Å; L223-V340 HydrophobicContact CD2-CB 4.24Å; L223-V340 HydrophobicContact CD2-CG1 4.29Å; L223-V340 HydrophobicContact CD2-CG2 4.11Å
224G93.9Very high89.6Confident19 Ų1971.6 Ų71.620%0.19637%0.374CS..  trans-138.6-173.1179.300000112.1L209L209-G224 WeakPolarHBondContact CD1-O 3.43Å
225V94.6Very high89.2Confident47 Ų4772.3 Ų72.329%0.28537%0.374SS..  trans60.564.3179.6-163.40000112R210 L243 T244R210-V225 HydrophobicContact CB-CG1 4.27Å; R210-V225 WeakPolarHBondContact CB-O 3.1Å; R210-V225 PolarHBondContact N-O 3.07Å; V225-L243 CarbonylContact C-O 3.57Å; V225-L243 WeakPolarHBondContact CA-O 3.48Å; V225-L243 PolarHBondContact N-O 3.37Å; V225-T244 PolarHBondContact N-O 2.89Å
226Y95.1Very high88.9Confident10 Ų1078.8 Ų78.84%0.03940%0.398CS..EExtended strand (participates in β ladder)trans-92.6163.5174.7-62.2-90.7000111.8C207 R208 L209 L223 L243 G246 F346C207-Y226 HydrophobicContact CB-CD1 4.4Å; C207-Y226 HydrophobicContact CB-CG 4.42Å; C207-Y226 VanDerWaalsContact SG-CD1 3.59Å; R208-Y226 CarbonylContact O-C 3.56Å; R208-Y226 VanDerWaalsContact O-CA 3.22Å; R208-Y226 WeakPolarHBondContact O-CA 3.33Å; L209-Y226 HydrophobicContact CB-CD1 4.49Å; L209-Y226 HydrophobicContact CB-CE1 4.42Å; L209-Y226 HydrophobicContact CD1-CD1 4.38Å; L209-Y226 HydrophobicContact CD1-CE1 4.08Å; L223-Y226 WeakPolarHBondContact CB-OH 3.49Å; L223-Y226 VanDerWaalsContact O-CE2 3.28Å; L223-Y226 WeakPolarHBondContact O-CE2 3.2Å; L223-Y226 PolarHBondContact O-OH 3.02Å; Y226-L243 PolarHBondContact N-O 3.49Å; Y226-G246 VanDerWaalsContact CE2-CA 3.45Å; Y226-F346 HydrophobicContact CE1-CB 4.19Å
227Y94Very high88.8Confident85 Ų8580 Ų8033%0.33340%0.399SS..EExtended strand (participates in β ladder)trans-129.8158.9165.372.8-78.2000109.6C207 R208 L209 R210 P229C207-Y227 WeakPolarHBondContact CA-O 3.13Å; R208-Y227 HydrophobicContact CB-CD1 4.16Å; R208-Y227 HydrophobicContact CB-CE1 3.55Å; R208-Y227 HydrophobicContact CB-CE2 4.41Å; R208-Y227 PolarHBondContact N-O 2.81Å; R208-Y227 WeakPolarHBondContact O-CD1 3.03Å; R208-Y227 PolarHBondContact O-N 3.42Å; L209-Y227 WeakPolarHBondContact O-CE1 3.46Å; R210-Y227 HydrophobicContact CB-CD1 3.9Å; R210-Y227 HydrophobicContact CG-CD1 4.19Å; Y227-P229 HydrophobicContact CE2-CB 4.19Å
228L92.6Very high88.6Confident39 Ų3974 Ų7420%0.20439%0.388CS..  trans-90.2121.2170.9-63.3162.2000106.7C207 R236 L241 L243C207-L228 HydrophobicContact CB-CD2 4.28Å; L228-R236 HydrophobicContact CD1-CB 4.46Å; L228-R236 HydrophobicContact CD1-CG 4.47Å; L228-R236 HydrophobicContact CD2-CB 4.3Å; L228-L241 HydrophobicContact CD2-CD2 4.08Å; L228-L243 HydrophobicContact CD1-CD1 4.08Å; L228-L243 HydrophobicContact CD2-CD2 4.25Å; L228-L243 HydrophobicContact CG-CD1 4.13Å; L228-L243 HydrophobicContact CG-CD2 4.01Å
229P88.6Confident88.2Confident11 Ų1171.1 Ų71.17%0.07139%0.394CS..  trans-65.5138.3172.722.8-25.3000109.3R208 Y227 A231 A234R208-P229 HydrophobicContact CG-CG 4.2Å; Y227-P229 HydrophobicContact CE2-CB 4.19Å; P229-A231 PolarHBondContact O-N 2.86Å; P229-A234 HydrophobicContact CB-CB 4.27Å; P229-A234 HydrophobicContact CG-CB 3.78Å; P229-A234 WeakPolarHBondContact O-CB 3.43Å
230D81.4Confident87.9Confident168 Ų16870.1 Ų70.190%0.89839%0.387SS*.  trans-89.313.4172.3-63.3-37.4000111.9
231A80.1Confident87.8Confident58 Ų5866.4 Ų66.448%0.47937%0.367SS..SBendtrans-84.9160.4-178.100000112.3P229 G233 A234P229-A231 PolarHBondContact O-N 2.86Å; A231-G233 PolarHBondContact O-N 3.46Å; A231-A234 VanDerWaalsContact O-CB 3.22Å; A231-A234 WeakPolarHBondContact O-CB 3.43Å; A231-A234 PolarHBondContact O-N 3.42Å
232E67.1Low87.8Confident205 Ų20567 Ų6796%0.95837%0.373SS*.THydrogen-bonded Turntrans-54.3129.9174.9-162.3168.5-167.700111.1
233G73.2Confident87.6Confident58 Ų5866.1 Ų66.160%0.59837%0.37SS*.THydrogen-bonded Turntrans91.3-3.6-174.300000115.4A231 F235A231-G233 PolarHBondContact O-N 3.46Å; G233-F235 WeakPolarHBondContact O-CD1 3.17Å
234A80.4Confident87.5Confident38 Ų3871.4 Ų71.431%0.31440%0.403SS..  trans-77.4136.2167.700000111.3P229 A231P229-A234 HydrophobicContact CB-CB 4.27Å; P229-A234 HydrophobicContact CG-CB 3.78Å; P229-A234 WeakPolarHBondContact O-CB 3.43Å; A231-A234 VanDerWaalsContact O-CB 3.22Å; A231-A234 WeakPolarHBondContact O-CB 3.43Å; A231-A234 PolarHBondContact O-N 3.42Å
235F87.6Confident87.4Confident88 Ų8872.1 Ų72.139%0.38641%0.405SS..  trans-137.9145.3176.654.8-88.7000110.2A204 F205 L206 G233 V349A204-F235 HydrophobicContact CB-CD2 3.76Å; A204-F235 HydrophobicContact CB-CE2 3.8Å; F205-F235 CarbonylContact C-O 3.39Å; F205-F235 VanDerWaalsContact CA-O 3.26Å; F205-F235 WeakPolarHBondContact CA-O 3.39Å; F205-F235 WeakPolarHBondContact O-CE2 3.27Å; L206-F235 HydrophobicContact CB-CD1 4.21Å; L206-F235 HydrophobicContact CB-CE1 3.84Å; L206-F235 HydrophobicContact CB-CE2 4.36Å; L206-F235 HydrophobicContact CB-CZ 3.93Å; L206-F235 HydrophobicContact CD2-CE1 4.46Å; L206-F235 PolarHBondContact N-O 2.82Å; G233-F235 WeakPolarHBondContact O-CD1 3.17Å; F235-V349 HydrophobicContact CE2-CG2 4.17Å; F235-V349 HydrophobicContact CZ-CG2 4.42Å
236R89.4Confident87.3Confident137 Ų13769.9 Ų69.952%0.51739%0.391SS..EExtended strand (participates in β ladder)trans-143131.8167.3176.8176.6176.1-169.85.4109.1A204 L228A204-R236 CarbonylContact O-C 3.51Å; A204-R236 WeakPolarHBondContact O-CA 3.43Å; L228-R236 HydrophobicContact CD1-CB 4.46Å; L228-R236 HydrophobicContact CD1-CG 4.47Å; L228-R236 HydrophobicContact CD2-CB 4.3Å
237R89.9Confident87.2Confident128 Ų12872 Ų7248%0.48340%0.401SS..EExtended strand (participates in β ladder)trans-148.8137.4175.3-163.1177.3-77.5179.10.5109.1V201 A203 A204V201-R237 WeakPolarHBondContact O-CD 3.22Å; V201-R237 PolarHBondContact O-NH1 2.93Å; A203-R237 WeakPolarHBondContact CA-O 3.43Å; A204-R237 PolarHBondContact N-O 2.81Å; A204-R237 PolarHBondContact O-N 2.86Å
238G86.8Confident87.3Confident39 Ų3968.1 Ų68.140%0.40239%0.386SS..SBendtrans86.1166.4-173.800000113.8
239S82.9Confident87.5Confident109 Ų10972.9 Ų72.976%0.76240%0.401SS*.SBendtrans-102.57.5-173.5520000114.3
240G88.2Confident87.7Confident10 Ų1072.4 Ų72.410%0.10340%0.398CS..  trans-76.4-22.1-17100000116.7Y248 R249G240-Y248 CarbonylContact O-C 3.46Å; G240-R249 WeakPolarHBondContact CA-O 3.31Å; G240-R249 PolarHBondContact O-N 3.21Å
241L92.1Very high88.2Confident14 Ų1466.2 Ų66.27%0.07337%0.367CS..BIsolated β-bridgetrans-86.2120.9-171.3-176.367.6000112.5F205 C207 L228 L243 Y248F205-L241 HydrophobicContact CB-CD2 4.05Å; F205-L241 HydrophobicContact CD1-CB 4.48Å; F205-L241 HydrophobicContact CD1-CD1 4.48Å; F205-L241 HydrophobicContact CD2-CD1 3.92Å; F205-L241 HydrophobicContact CD2-CD2 3.61Å; F205-L241 HydrophobicContact CD2-CG 4.31Å; F205-L241 HydrophobicContact CE1-CD1 4.26Å; F205-L241 HydrophobicContact CE2-CD1 3.66Å; F205-L241 HydrophobicContact CE2-CD2 4.23Å; F205-L241 HydrophobicContact CG-CB 4.48Å; F205-L241 HydrophobicContact CG-CD1 4.33Å; F205-L241 HydrophobicContact CG-CD2 3.81Å; F205-L241 HydrophobicContact CG-CG 4.43Å; F205-L241 HydrophobicContact CZ-CD1 3.85Å; C207-L241 HydrophobicContact CB-CD2 4.2Å; L228-L241 HydrophobicContact CD2-CD2 4.08Å; L241-L243 HydrophobicContact CD2-CD2 3.62Å; L241-L243 HydrophobicContact CG-CD2 4.11Å; L241-Y248 HydrophobicContact CB-CD2 4.21Å
242N93.6Very high88.8Confident79 Ų7965 Ų6542%0.42235%0.353SS..  trans-98.3110.2166.7-173-26.6000110.2T244 S245 G246 Q247N242-T244 PolarHBondContact O-N 3.25Å; N242-T244 PolarHBondContact OD1-N 3.42Å; N242-S245 WeakPolarHBondContact CB-OG 3.42Å; N242-S245 PolarHBondContact ND2-OG 3.21Å; N242-S245 PolarHBondContact OD1-N 3.01Å; N242-G246 VanDerWaalsContact O-CA 3.31Å; N242-G246 WeakPolarHBondContact O-CA 3.24Å; N242-G246 PolarHBondContact O-N 2.92Å; N242-Q247 PolarHBondContact N-O 3.33Å; N242-Q247 PolarHBondContact O-N 3.38Å
243L92.2Very high90.1Very high47 Ų4756.9 Ų56.925%0.24632%0.321CS..THydrogen-bonded Turntrans-69-31.8-177.5-66.2174.7000113.1C207 V225 Y226 L228 L241C207-L243 HydrophobicContact CB-CD2 4.29Å; V225-L243 CarbonylContact C-O 3.57Å; V225-L243 WeakPolarHBondContact CA-O 3.48Å; V225-L243 PolarHBondContact N-O 3.37Å; Y226-L243 PolarHBondContact N-O 3.49Å; L228-L243 HydrophobicContact CD1-CD1 4.08Å; L228-L243 HydrophobicContact CD2-CD2 4.25Å; L228-L243 HydrophobicContact CG-CD1 4.13Å; L228-L243 HydrophobicContact CG-CD2 4.01Å; L241-L243 HydrophobicContact CD2-CD2 3.62Å; L241-L243 HydrophobicContact CG-CD2 4.11Å
244T93.4Very high91.1Very high111 Ų11154.1 Ų54.168%0.68129%0.293SS*.THydrogen-bonded Turntrans-73.5-49.9-177.3-52.60000110.9V225 N242V225-T244 PolarHBondContact N-O 2.89Å; N242-T244 PolarHBondContact O-N 3.25Å; N242-T244 PolarHBondContact OD1-N 3.42Å
245S92Very high91.8Very high34 Ų3457.1 Ų57.124%0.23830%0.299CS..THydrogen-bonded Turntrans-81.5-19.7178.762.80000113.5N242 Q247N242-S245 WeakPolarHBondContact CB-OG 3.42Å; N242-S245 PolarHBondContact ND2-OG 3.21Å; N242-S245 PolarHBondContact OD1-N 3.01Å; S245-Q247 PolarHBondContact O-N 3.09Å; S245-Q247 WeakPolarHBondContact OG-CB 3.3Å; S245-Q247 PolarHBondContact OG-N 3.39Å
246G91.7Very high92.2Very high0 Ų053 Ų530%028%0.281CS..  trans778.7-173.400000114.5Y226 N242Y226-G246 VanDerWaalsContact CE2-CA 3.45Å; N242-G246 VanDerWaalsContact O-CA 3.31Å; N242-G246 WeakPolarHBondContact O-CA 3.24Å; N242-G246 PolarHBondContact O-N 2.92Å
247Q94.8Very high92.5Very high55 Ų5547.9 Ų47.926%0.25727%0.269SS..  trans-92.6129.2-176.3-64.9167.32.600110.1E222 N242 S245 W325E222-Q247 PolarHBondContact OE1-NE2 2.82Å; N242-Q247 PolarHBondContact N-O 3.33Å; N242-Q247 PolarHBondContact O-N 3.38Å; S245-Q247 PolarHBondContact O-N 3.09Å; S245-Q247 WeakPolarHBondContact OG-CB 3.3Å; S245-Q247 PolarHBondContact OG-N 3.39Å; Q247-W325 HydrophobicContact CB-CE3 4.3Å; Q247-W325 HydrophobicContact CG-CE3 3.85Å; Q247-W325 HydrophobicContact CG-CZ3 4.02Å
248Y95.3Very high92.8Very high3 Ų342 Ų421%0.01225%0.246CC..EExtended strand (participates in β ladder)trans-101.6111.1171.8173.7-108.4000110.2A203 F205 G240 L241 P251 Y256 L320 W325 A326 A348A203-Y248 VanDerWaalsContact CB-OH 3.26Å; A203-Y248 WeakPolarHBondContact CB-OH 3.18Å; F205-Y248 AromaticContact CD1-CD2 3.67Å; F205-Y248 HydrophobicContact CD1-CD2 3.67Å; F205-Y248 AromaticContact CD1-CE2 3.75Å; F205-Y248 HydrophobicContact CD1-CE2 3.75Å; F205-Y248 HydrophobicContact CD1-CG 4.31Å; F205-Y248 AromaticContact CE1-CD1 3.95Å; F205-Y248 HydrophobicContact CE1-CD1 3.95Å; F205-Y248 AromaticContact CE1-CD2 3.13Å; F205-Y248 HydrophobicContact CE1-CD2 3.13Å; F205-Y248 HydrophobicContact CE1-CE1 4.3Å; F205-Y248 AromaticContact CE1-CE2 3.54Å; F205-Y248 HydrophobicContact CE1-CE2 3.54Å; F205-Y248 AromaticContact CE1-CG 3.34Å; F205-Y248 HydrophobicContact CE1-CG 3.34Å; F205-Y248 AromaticContact CZ-CD2 3.99Å; F205-Y248 HydrophobicContact CZ-CD2 3.99Å; F205-Y248 AromaticContact CZ-CG 3.87Å; F205-Y248 HydrophobicContact CZ-CG 3.87Å; G240-Y248 CarbonylContact O-C 3.46Å; L241-Y248 HydrophobicContact CB-CD2 4.21Å; Y248-P251 WeakPolarHBondContact OH-CD 3.49Å; Y248-Y256 AromaticContact CE1-CD1 3.86Å; Y248-Y256 HydrophobicContact CE1-CD1 3.86Å; Y248-Y256 AromaticContact CE1-CE1 3.83Å; Y248-Y256 HydrophobicContact CE1-CE1 3.83Å; Y248-Y256 AromaticContact CZ-CE1 3.96Å; Y248-Y256 WeakPolarHBondContact OH-CE1 3.42Å; Y248-L320 HydrophobicContact CD1-CD1 4.28Å; Y248-L320 HydrophobicContact CE1-CD1 4.25Å; Y248-W325 CarbonylContact O-C 3.46Å; Y248-W325 WeakPolarHBondContact O-CA 3.47Å; Y248-A326 PolarHBondContact N-O 3.07Å; Y248-A326 PolarHBondContact O-N 3.04Å; Y248-A348 HydrophobicContact CE1-CB 4.47Å
249R95.8Very high93.2Very high139 Ų13941 Ų4153%0.52524%0.235SC..EExtended strand (participates in β ladder)trans-87.9120.8174.2-179.2174.4-87.6-104.9-2.9110.3G240 P251 G323 Q324 W325G240-R249 WeakPolarHBondContact CA-O 3.31Å; G240-R249 PolarHBondContact O-N 3.21Å; R249-P251 WeakPolarHBondContact O-CD 3.38Å; R249-G323 PolarHBondContact NH1-O 3.25Å; R249-G323 PolarHBondContact NH2-O 3.33Å; R249-Q324 CarbonylContact C-O 3.59Å; R249-Q324 VanDerWaalsContact CA-O 3.32Å; R249-Q324 WeakPolarHBondContact CA-O 3.49Å; R249-W325 HydrophobicContact CB-CB 4.37Å
250A94.3Very high93.9Very high1 Ų135.8 Ų35.81%0.00820%0.198CC..  trans-64.1118.5178.900000110.9V252 Y256 L320 G323 Q324A250-V252 VanDerWaalsContact C-N 3.35Å; A250-Y256 HydrophobicContact CB-CE2 3.92Å; A250-L320 HydrophobicContact CB-CB 3.65Å; A250-L320 HydrophobicContact CB-CD1 4.07Å; A250-G323 PolarHBondContact O-N 2.03Å; A250-Q324 PolarHBondContact N-O 3.2Å
251P92.3Very high94.3Very high37 Ų3736.3 Ų36.324%0.2420%0.2CC..SBendtrans-71.2-32.217827.6-33.6000112.2A203 Y248 R249 Y256A203-P251 HydrophobicContact CB-CG 3.85Å; Y248-P251 WeakPolarHBondContact OH-CD 3.49Å; R249-P251 WeakPolarHBondContact O-CD 3.38Å; P251-Y256 WeakPolarHBondContact CD-OH 3.15Å
252V92.3Very high94.5Very high32 Ų3235.8 Ų35.819%0.19420%0.197CC..SBendtrans-130156178.2-63.30000110.3E202 A250 Y256 L350 V353E202-V252 WeakPolarHBondContact OE1-CG1 3.36Å; A250-V252 VanDerWaalsContact C-N 3.35Å; V252-Y256 WeakPolarHBondContact CG2-OH 3.26Å; V252-Y256 PolarHBondContact N-OH 2.87Å; V252-Y256 PolarHBondContact O-OH 3Å; V252-L350 HydrophobicContact CG2-CD1 4.2Å; V252-L350 HydrophobicContact CG2-CD2 3.48Å; V252-L350 VanDerWaalsContact CG2-CD2 3.48Å; V252-L350 HydrophobicContact CG2-CG 4.5Å; V252-V353 HydrophobicContact CG2-CG1 4.4Å
253A94.4Very high94.6Very high35 Ų3535 Ų3529%0.28919%0.19SC..SBendtrans-77.3131.3173.800000110L320 V353A253-L320 CarbonylContact C-O 3.58Å; A253-L320 VanDerWaalsContact CA-O 3.24Å; A253-L320 WeakPolarHBondContact CA-O 3.43Å; A253-V353 WeakPolarHBondContact O-CB 3.22Å; A253-V353 WeakPolarHBondContact O-CG1 3.49Å
254G94.3Very high94.8Very high0 Ų032.7 Ų32.70%018%0.178CC..EExtended strand (participates in β ladder)trans169.8-172.3-179.600000114.4Y256 Y319 L320 G352G254-Y256 VanDerWaalsContact O-CD2 3.26Å; G254-Y256 WeakPolarHBondContact O-CD2 3.29Å; G254-Y319 WeakPolarHBondContact O-CA 3.3Å; G254-L320 PolarHBondContact N-O 2.95Å; G254-L320 PolarHBondContact O-N 2.88Å; G254-G352 CarbonylContact C-O 3.57Å; G254-G352 VanDerWaalsContact CA-O 3.29Å; G254-G352 WeakPolarHBondContact CA-O 3.47Å
255F94.7Very high94.7Very high102 Ų10228.4 Ų28.445%0.44715%0.154SC..EExtended strand (participates in β ladder)trans-88.5120177.8-63.7-83.3000111.1I317 Y319 L351 G352F255-I317 HydrophobicContact CB-CG2 4.03Å; F255-I317 HydrophobicContact CD1-CG2 4.1Å; F255-Y319 HydrophobicContact CD1-CD2 4.06Å; F255-Y319 HydrophobicContact CD2-CD2 4.19Å; F255-Y319 AromaticContact CE1-CD2 3.9Å; F255-Y319 HydrophobicContact CE1-CD2 3.9Å; F255-Y319 HydrophobicContact CE1-CG 4.48Å; F255-Y319 HydrophobicContact CE2-CD2 4.03Å; F255-Y319 HydrophobicContact CE2-CE2 4.35Å; F255-Y319 HydrophobicContact CG-CD2 4.21Å; F255-Y319 AromaticContact CZ-CD2 3.89Å; F255-Y319 HydrophobicContact CZ-CD2 3.89Å; F255-Y319 HydrophobicContact CZ-CE2 4.48Å; F255-L351 PolarHBondContact O-N 3.46Å; F255-G352 PolarHBondContact N-O 2.94Å
256Y95Very high94.5Very high0 Ų027.8 Ų27.80%015%0.148CC..EExtended strand (participates in β ladder)trans-110.9122178.4-67.1-93.9000110A203 Y248 A250 P251 V252 G254 L258 I317 L318 L320 V349 L350A203-Y256 HydrophobicContact CB-CE1 4.46Å; Y248-Y256 AromaticContact CE1-CD1 3.86Å; Y248-Y256 HydrophobicContact CE1-CD1 3.86Å; Y248-Y256 AromaticContact CE1-CE1 3.83Å; Y248-Y256 HydrophobicContact CE1-CE1 3.83Å; Y248-Y256 AromaticContact CZ-CE1 3.96Å; Y248-Y256 WeakPolarHBondContact OH-CE1 3.42Å; A250-Y256 HydrophobicContact CB-CE2 3.92Å; P251-Y256 WeakPolarHBondContact CD-OH 3.15Å; V252-Y256 WeakPolarHBondContact CG2-OH 3.26Å; V252-Y256 PolarHBondContact N-OH 2.87Å; V252-Y256 PolarHBondContact O-OH 3Å; G254-Y256 VanDerWaalsContact O-CD2 3.26Å; G254-Y256 WeakPolarHBondContact O-CD2 3.29Å; Y256-L258 PolarHBondContact O-N 3.48Å; Y256-I317 WeakPolarHBondContact O-CA 3.3Å; Y256-L318 PolarHBondContact N-O 2.83Å; Y256-L318 PolarHBondContact O-N 2.9Å; Y256-L320 HydrophobicContact CD2-CB 3.65Å; Y256-L320 HydrophobicContact CD2-CD1 3.65Å; Y256-L320 HydrophobicContact CD2-CG 3.73Å; Y256-L320 HydrophobicContact CE2-CB 3.72Å; Y256-L320 HydrophobicContact CE2-CD1 4.15Å; Y256-L320 HydrophobicContact CE2-CG 4.27Å; Y256-L320 HydrophobicContact CG-CD1 3.87Å; Y256-L320 HydrophobicContact CG-CG 4.34Å; Y256-V349 CarbonylContact C-O 3.5Å; Y256-V349 WeakPolarHBondContact CA-O 3.46Å; Y256-L350 HydrophobicContact CD1-CB 4Å; Y256-L350 HydrophobicContact CD1-CD1 4.12Å; Y256-L350 HydrophobicContact CD2-CD1 4.23Å; Y256-L350 HydrophobicContact CE1-CB 3.71Å; Y256-L350 HydrophobicContact CE1-CD1 3.67Å; Y256-L350 HydrophobicContact CE1-CG 4.22Å; Y256-L350 HydrophobicContact CE2-CD1 3.81Å; Y256-L350 HydrophobicContact CG-CD1 4.39Å
257A95.9Very high93.6Very high31 Ų3136.2 Ų36.226%0.25618%0.18SC..EExtended strand (participates in β ladder)trans-74.9119165.400000108.4A348 V349 L351A257-A348 CarbonylContact O-C 3.59Å; A257-A348 WeakPolarHBondContact O-CA 2.98Å; A257-V349 PolarHBondContact N-O 2.85Å; A257-V349 PolarHBondContact O-N 2.8Å; A257-L351 HydrophobicContact CB-CD1 4.05Å; A257-L351 HydrophobicContact CB-CD2 4.04Å; A257-L351 HydrophobicContact CB-CG 4.05Å
258L96.1Very high92.2Very high3 Ų337 Ų372%0.01618%0.183CC..EExtended strand (participates in β ladder)trans-120137.3-177-72148000109.4Y256 I285 L297 G316 L318 F346 S347 A348Y256-L258 PolarHBondContact O-N 3.48Å; L258-I285 HydrophobicContact CB-CD1 4.06Å; L258-I285 HydrophobicContact CD1-CG2 4.31Å; L258-I285 HydrophobicContact CD2-CG2 4.47Å; L258-L297 HydrophobicContact CB-CD1 3.99Å; L258-G316 PolarHBondContact N-O 3Å; L258-G316 PolarHBondContact O-N 2.74Å; L258-G316 VanDerWaalsContact O-O 3.14Å; L258-L318 HydrophobicContact CD1-CB 3.76Å; L258-L318 HydrophobicContact CD1-CD1 3.72Å; L258-L318 HydrophobicContact CD1-CG 3.9Å; L258-F346 HydrophobicContact CD2-CE2 3.76Å; L258-F346 HydrophobicContact CD2-CZ 3.79Å; L258-S347 WeakPolarHBondContact CA-O 3.21Å; L258-A348 HydrophobicContact CD2-CB 3.47Å; L258-A348 VanDerWaalsContact CD2-CB 3.47Å; L258-A348 HydrophobicContact CG-CB 4.19Å
259A96.7Very high90.3Very high19 Ų1942 Ų4216%0.15722%0.216CC..EExtended strand (participates in β ladder)trans-142.9131.1-179.500000110.3V314 N315 F346 S347A259-V314 WeakPolarHBondContact CA-O 3.35Å; A259-N315 WeakPolarHBondContact CB-OD1 3.28Å; A259-F346 CarbonylContact O-C 3.51Å; A259-F346 WeakPolarHBondContact O-CA 3.5Å; A259-F346 WeakPolarHBondContact O-CD2 3.32Å; A259-S347 PolarHBondContact N-O 2.71Å; A259-S347 PolarHBondContact O-N 2.93Å; A259-S347 PolarHBondContact O-OG 2.85Å
260A96.9Very high88.5Confident0 Ų038.5 Ų38.50%021%0.212CC..EExtended strand (participates in β ladder)trans-132.2133.517300000110L283 I285 S313 V314 V328 H345 F346A260-L283 HydrophobicContact CB-CD2 4.38Å; A260-I285 HydrophobicContact CB-CD1 3.95Å; A260-I285 HydrophobicContact CB-CG1 4.35Å; A260-S313 CarbonylContact O-C 3.57Å; A260-S313 VanDerWaalsContact O-CA 3.23Å; A260-S313 WeakPolarHBondContact O-CA 3.22Å; A260-V314 HydrophobicContact CB-CG1 4.09Å; A260-V314 PolarHBondContact N-O 3.37Å; A260-V314 PolarHBondContact O-N 2.97Å; A260-V328 HydrophobicContact CB-CG1 4.01Å; A260-V328 HydrophobicContact CB-CG2 4.01Å; A260-H345 WeakPolarHBondContact CA-O 3.38Å; A260-F346 HydrophobicContact CB-CD2 4.11Å
261T96.7Very high86.7Confident21 Ų2147.9 Ų47.913%0.12925%0.247CC..EExtended strand (participates in β ladder)trans-131.4118.6177.6-530000108.6T311 S344 H345T261-T311 HydrophobicContact CG2-CG2 3.36Å; T261-S344 CarbonylContact O-C 3.59Å; T261-S344 WeakPolarHBondContact O-CA 3.4Å; T261-H345 WeakPolarHBondContact CB-CE1 3.38Å; T261-H345 VanDerWaalsContact CB-NE2 3.31Å; T261-H345 WeakPolarHBondContact CB-NE2 3.31Å; T261-H345 PolarHBondContact N-O 3.46Å; T261-H345 PolarHBondContact O-N 3.31Å; T261-H345 PolarHBondContact OG1-CE1 2.8Å; T261-H345 VanDerWaalsContact OG1-CE1 3.32Å; T261-H345 PolarHBondContact OG1-NE2 3.33Å
262L96.9Very high84.8Confident2 Ų258.2 Ų58.21%0.0128%0.281CS..EExtended strand (participates in β ladder)trans-112.2129.8-176.7-53.9-175.1000110.3L223 V264 L283 T311 I312 L330 V340L223-L262 HydrophobicContact CD1-CD1 3.48Å; L223-L262 VanDerWaalsContact CD1-CD1 3.48Å; L223-L262 HydrophobicContact CD1-CD2 3.48Å; L223-L262 VanDerWaalsContact CD1-CD2 3.48Å; L223-L262 HydrophobicContact CD1-CG 4.14Å; L262-V264 HydrophobicContact CB-CG2 4.26Å; L262-L283 HydrophobicContact CD1-CD1 3.43Å; L262-L283 VanDerWaalsContact CD1-CD1 3.43Å; L262-L283 HydrophobicContact CD1-CD2 4.28Å; L262-L283 HydrophobicContact CD1-CG 4.39Å; L262-L283 HydrophobicContact CG-CD1 3.97Å; L262-L283 HydrophobicContact CG-CD2 4.08Å; L262-T311 VanDerWaalsContact O-CA 3.3Å; L262-T311 WeakPolarHBondContact O-CA 3.46Å; L262-I312 HydrophobicContact CB-CG2 3.94Å; L262-I312 PolarHBondContact N-O 2.91Å; L262-I312 PolarHBondContact O-N 2.86Å; L262-L330 HydrophobicContact CD1-CB 4.35Å; L262-L330 HydrophobicContact CD1-CD1 4.21Å; L262-L330 HydrophobicContact CD1-CD2 4.21Å; L262-V340 HydrophobicContact CB-CG1 4.24Å; L262-V340 HydrophobicContact CD1-CG1 4.48Å; L262-V340 HydrophobicContact CD2-CG1 4.2Å
263H95.9Very high83.2Confident62 Ų6258.6 Ų58.629%0.28729%0.292SS..EExtended strand (participates in β ladder)trans-91118.3167.7-58.2-56.7000107.7T311 V340 C341 S344H263-T311 PolarHBondContact ND1-OG1 2.87Å; H263-V340 CarbonylContact O-C 3.51Å; H263-C341 HydrophobicContact CB-CB 4.05Å; H263-C341 WeakPolarHBondContact O-CB 3.39Å; H263-C341 PolarHBondContact O-N 3.04Å; H263-S344 PolarHBondContact N-OG 3.27Å
264V94.9Very high81.5Confident0 Ų062.5 Ų62.50%031%0.314CS..EExtended strand (participates in β ladder)trans-115.1127.7-174.4-179.80000108.6L262 L281 L309 F310 I312 L330 L338 T339L262-V264 HydrophobicContact CB-CG2 4.26Å; V264-L281 HydrophobicContact CG1-CD1 4.36Å; V264-L309 WeakPolarHBondContact O-CA 3.45Å; V264-F310 HydrophobicContact CB-CD2 4.3Å; V264-F310 HydrophobicContact CB-CE1 4.12Å; V264-F310 HydrophobicContact CB-CE2 3.77Å; V264-F310 HydrophobicContact CB-CZ 3.67Å; V264-F310 HydrophobicContact CG1-CE1 3.93Å; V264-F310 HydrophobicContact CG1-CE2 4.11Å; V264-F310 HydrophobicContact CG1-CZ 3.52Å; V264-F310 HydrophobicContact CG2-CE2 4.26Å; V264-F310 HydrophobicContact CG2-CZ 4.49Å; V264-F310 PolarHBondContact N-O 2.85Å; V264-F310 PolarHBondContact O-N 2.97Å; V264-I312 HydrophobicContact CG2-CG2 4.15Å; V264-L330 HydrophobicContact CG2-CD2 4.42Å; V264-L338 HydrophobicContact CG1-CB 4.02Å; V264-L338 HydrophobicContact CG1-CD1 3.77Å; V264-L338 HydrophobicContact CG1-CD2 4.26Å; V264-L338 HydrophobicContact CG1-CG 4.24Å; V264-T339 WeakPolarHBondContact CA-O 3.28Å
265A92.5Very high80Confident21 Ų2164.1 Ų64.117%0.17432%0.324CS..EExtended strand (participates in β ladder)trans-108.2131.6171.300000109.7E308 T339A265-E308 CarbonylContact C-O 3.58Å; A265-E308 VanDerWaalsContact CA-O 3.28Å; A265-E308 WeakPolarHBondContact CA-O 3.45Å; A265-T339 PolarHBondContact N-O 2.76Å; A265-T339 PolarHBondContact O-N 3.48Å; A265-T339 PolarHBondContact O-OG1 2.9Å; A265-T339 VanDerWaalsContact O-OG1 3.04Å
266L87.9Confident78.6Confident21 Ų2167.6 Ų67.611%0.1133%0.334CS..EExtended strand (participates in β ladder)trans-89.3110.2177.8-155.769000108.6E268 L303 E308 L338L266-E268 VanDerWaalsContact C-N 3.29Å; L266-E268 PolarHBondContact O-N 2.96Å; L266-L303 HydrophobicContact CD1-CD2 4Å; L266-L303 HydrophobicContact CD2-CD2 4.23Å; L266-E308 PolarHBondContact N-O 2.65Å; L266-L338 HydrophobicContact CD1-CB 4.1Å
267R72.8Confident77.1Confident176 Ų17673.2 Ų73.266%0.66437%0.371SS*.SBendtrans-74.7-20.4-168.4-142.8-172.3-175.8173.73.2113.8T339R267-T339 HydrophobicContact CG-CG2 4.46Å
268E64.1Low76Confident71 Ų7181.9 Ų81.933%0.33240%0.397SS..SBendtrans-131.4123.2175.3-67.3-170.6160.200109.2L266 R271L266-E268 VanDerWaalsContact C-N 3.29Å; L266-E268 PolarHBondContact O-N 2.96Å; E268-R271 VanDerWaalsContact CD-NH1 3.26Å; E268-R271 IonicContact OE1-CZ 3.41Å; E268-R271 IonicContact OE1-NH1 3.39Å; E268-R271 PolarHBondContact OE1-NH1 2.75Å; E268-R271 IonicContact OE1-NH2 3.62Å; E268-R271 IonicContact OE2-NH1 2.67Å; E268-R271 PolarHBondContact OE2-NH1 2.86Å
269P56.6Low75.6Confident109 Ų10982.7 Ų82.771%0.70840%0.401SS*.  trans-57.5135157.625.4-30.7000106.5R271P269-R271 PolarHBondContact O-N 2.94Å
270P56.5Low75.3Confident65 Ų6583.8 Ų83.842%0.42240%0.403SS..  trans-51.2110.8-172.217.3-29.8000109.5R272 G273P270-R272 VanDerWaalsContact C-N 3.32Å; P270-R272 PolarHBondContact O-N 2.86Å; P270-G273 WeakPolarHBondContact CG-O 3.24Å
271R57.2Low75.1Confident198 Ų19883.8 Ų83.875%0.74740%0.403SS*.THydrogen-bonded Turntrans-63.799177.7-75.4-163.9176.2112.90.8107.3E268 P269E268-R271 VanDerWaalsContact CD-NH1 3.26Å; E268-R271 IonicContact OE1-CZ 3.41Å; E268-R271 IonicContact OE1-NH1 3.39Å; E268-R271 PolarHBondContact OE1-NH1 2.75Å; E268-R271 IonicContact OE1-NH2 3.62Å; E268-R271 IonicContact OE2-NH1 2.67Å; E268-R271 PolarHBondContact OE2-NH1 2.86Å; P269-R271 PolarHBondContact O-N 2.94Å
272R52.7Low75Confident255 Ų25586.4 Ų86.496%0.96241%0.411SS*.THydrogen-bonded Turntrans63.290.1-177.3-74.5-178.5171.5173.9-2.2115.2P270P270-R272 VanDerWaalsContact C-N 3.32Å; P270-R272 PolarHBondContact O-N 2.86Å
273G58.8Low75Confident40 Ų4086.3 Ų86.341%0.41241%0.41SS..SBendtrans144.4152.6155.900000112P270P270-G273 WeakPolarHBondContact CG-O 3.24Å
274P59.5Low75Confident117 Ų11783.9 Ų83.976%0.7640%0.4SS*.PPolyproline II helixtrans-55.6142.8166.1-1628.1000109.4R276P274-R276 PolarHBondContact O-N 3.44Å
275P61.2Low75.1Confident34 Ų3483.9 Ų83.922%0.22140%0.4CS..PPolyproline II helixtrans-48.7135.1166.219.9-30.5000108.8E304P275-E304 WeakPolarHBondContact CG-O 3.13Å
276R66.4Low75.2Confident174 Ų17482.9 Ų82.966%0.65739%0.391SS*.PPolyproline II helixtrans-67.4149-176.5-64.8-176.1-178.4-155.50.5107.7P274 R278 D279P274-R276 PolarHBondContact O-N 3.44Å; R276-R278 PolarHBondContact O-N 3.26Å; R276-D279 PolarHBondContact N-OD2 3.27Å; R276-D279 PolarHBondContact O-N 3.25Å
277P63Low75.5Confident119 Ų11982.9 Ų82.977%0.77339%0.391SS*.THydrogen-bonded Turntrans-58.12174.9-24.132.5000115.5
278R72.3Confident76.5Confident212 Ų21277.9 Ų77.980%0.838%0.375SS*.THydrogen-bonded Turntrans-116.9-2-179.1-60.8-171.9179.1-155.1-0113.1R276 H280R276-R278 PolarHBondContact O-N 3.26Å; R278-H280 PolarHBondContact O-N 2.75Å; R278-H280 PolarHBondContact O-ND1 3.09Å
279D87.8Confident77.7Confident20 Ų2077.1 Ų77.111%0.10738%0.378CS..  trans-74.7112178-67.1-24.5000108.5R276 L303R276-D279 PolarHBondContact N-OD2 3.27Å; R276-D279 PolarHBondContact O-N 3.25Å; D279-L303 HydrophobicContact CB-CB 4.12Å; D279-L303 PolarHBondContact O-N 2.99Å
280H91Very high79.4Confident43 Ų4379 Ų7920%0.19937%0.371CS..EExtended strand (participates in β ladder)trans-140.8157.2179.664-74.6000110.1R278 R282 I300 M301 A333R278-H280 PolarHBondContact O-N 2.75Å; R278-H280 PolarHBondContact O-ND1 3.09Å; H280-R282 PolarHBondContact CD2-NE 2.95Å; H280-R282 PolarHBondContact NE2-NE 2.95Å; H280-R282 PolarHBondContact NE2-NH2 2.81Å; H280-I300 HydrophobicContact CB-CG2 4.18Å; H280-M301 CarbonylContact C-O 3.53Å; H280-M301 WeakPolarHBondContact CA-O 3.31Å; H280-M301 WeakPolarHBondContact CB-O 3.34Å; H280-A333 VanDerWaalsContact CE1-CB 3.47Å; H280-A333 WeakPolarHBondContact CE1-CB 3.31Å; H280-A333 VanDerWaalsContact O-CB 3.31Å; H280-A333 WeakPolarHBondContact O-CB 3.38Å; H280-A333 PolarHBondContact O-N 2.81Å; H280-A333 VanDerWaalsContact O-N 3.15Å
281L93.4Very high80.9Confident0 Ų077.8 Ų77.80%036%0.363CS..EExtended strand (participates in β ladder)trans-111.8142170.2-59-176.5000108.9V264 I300 M301 L303 F310 I312 L330 D331 N332 L338V264-L281 HydrophobicContact CG1-CD1 4.36Å; L281-I300 CarbonylContact O-C 3.54Å; L281-I300 WeakPolarHBondContact O-CA 3.38Å; L281-M301 PolarHBondContact N-O 2.92Å; L281-M301 PolarHBondContact O-N 3.2Å; L281-L303 HydrophobicContact CD1-CD1 4.36Å; L281-F310 HydrophobicContact CD1-CE2 3.72Å; L281-F310 HydrophobicContact CD1-CZ 3.5Å; L281-F310 VanDerWaalsContact CD1-CZ 3.5Å; L281-I312 HydrophobicContact CB-CD1 4.28Å; L281-L330 HydrophobicContact CB-CD1 4.36Å; L281-D331 WeakPolarHBondContact CA-O 3.49Å; L281-N332 HydrophobicContact CD2-CB 4.1Å; L281-N332 WeakPolarHBondContact CD2-OD1 3.32Å; L281-L338 HydrophobicContact CD1-CD2 3.73Å; L281-L338 HydrophobicContact CD2-CD2 3.36Å; L281-L338 HydrophobicContact CG-CD2 4.22Å
282R94.3Very high82.1Confident75 Ų7574.5 Ų74.528%0.28336%0.356SS..EExtended strand (participates in β ladder)trans-118.6115.2170.9-45.3175.7170.3-127-0.9109.1H280 L284 E298 A299 I300 D331H280-R282 PolarHBondContact CD2-NE 2.95Å; H280-R282 PolarHBondContact NE2-NE 2.95Å; H280-R282 PolarHBondContact NE2-NH2 2.81Å; R282-L284 HydrophobicContact CB-CD1 4.28Å; R282-L284 HydrophobicContact CB-CG 4.33Å; R282-E298 WeakPolarHBondContact CD-OE1 3.11Å; R282-E298 IonicContact CZ-OE1 3.57Å; R282-E298 IonicContact NE-OE1 3.79Å; R282-E298 IonicContact NH1-OE1 2.7Å; R282-E298 PolarHBondContact NH1-OE1 3.16Å; R282-A299 CarbonylContact C-O 3.52Å; R282-A299 WeakPolarHBondContact CA-O 3.37Å; R282-I300 HydrophobicContact CG-CG1 4.2Å; R282-D331 HydrophobicContact CB-CB 3.92Å; R282-D331 HydrophobicContact CG-CB 4.35Å; R282-D331 PolarHBondContact N-O 2.69Å; R282-D331 PolarHBondContact O-N 3.17Å
283L96.3Very high82.9Confident0 Ų072.7 Ų72.70%035%0.35CS..EExtended strand (participates in β ladder)trans-89123.4169.1175.155.5000108.3A260 L262 E298 A299 I312 V314 V328 F329 L330A260-L283 HydrophobicContact CB-CD2 4.38Å; L262-L283 HydrophobicContact CD1-CD1 3.43Å; L262-L283 VanDerWaalsContact CD1-CD1 3.43Å; L262-L283 HydrophobicContact CD1-CD2 4.28Å; L262-L283 HydrophobicContact CD1-CG 4.39Å; L262-L283 HydrophobicContact CG-CD1 3.97Å; L262-L283 HydrophobicContact CG-CD2 4.08Å; L283-E298 CarbonylContact O-C 3.47Å; L283-E298 WeakPolarHBondContact O-CA 3.39Å; L283-A299 PolarHBondContact N-O 2.93Å; L283-A299 PolarHBondContact O-N 2.89Å; L283-I312 HydrophobicContact CB-CD1 3.74Å; L283-I312 HydrophobicContact CB-CG1 3.97Å; L283-I312 HydrophobicContact CB-CG2 4.44Å; L283-I312 HydrophobicContact CD2-CG1 4.31Å; L283-I312 HydrophobicContact CD2-CG2 4.26Å; L283-V314 HydrophobicContact CD2-CB 4.15Å; L283-V314 HydrophobicContact CD2-CG1 3.79Å; L283-V314 HydrophobicContact CG-CB 4.18Å; L283-V314 HydrophobicContact CG-CG1 3.69Å; L283-V328 HydrophobicContact CD1-CG1 3.52Å; L283-F329 WeakPolarHBondContact CD1-O 3.23Å; L283-L330 HydrophobicContact CB-CD1 4.46Å
284L95.9Very high83.6Confident12 Ų1278.6 Ų78.66%0.06337%0.372CS..EExtended strand (participates in β ladder)trans-126.3139.7-171.9-67.2154.5000110.6L220 R282 C291 L297 E298 V328 F329 D331L220-L284 HydrophobicContact CD1-CD1 4.17Å; R282-L284 HydrophobicContact CB-CD1 4.28Å; R282-L284 HydrophobicContact CB-CG 4.33Å; L284-C291 HydrophobicContact CD1-CB 4.34Å; L284-L297 CarbonylContact C-O 3.58Å; L284-L297 WeakPolarHBondContact CA-O 3.43Å; L284-E298 HydrophobicContact CD2-CB 3.7Å; L284-E298 HydrophobicContact CD2-CG 3.63Å; L284-V328 CarbonylContact O-C 3.45Å; L284-V328 WeakPolarHBondContact O-CA 3.47Å; L284-F329 HydrophobicContact CB-CB 4.17Å; L284-F329 PolarHBondContact N-O 2.84Å; L284-F329 PolarHBondContact O-N 3.15Å; L284-D331 HydrophobicContact CD1-CB 4.36Å
285I96.3Very high84.6Confident0 Ų075.3 Ų75.30%035%0.35CS..EExtended strand (participates in β ladder)trans-116.5113.8165.1-58.2176.5000107.1L258 A260 S296 L297 V314 L318 A326 S327 V328 F346L258-I285 HydrophobicContact CB-CD1 4.06Å; L258-I285 HydrophobicContact CD1-CG2 4.31Å; L258-I285 HydrophobicContact CD2-CG2 4.47Å; A260-I285 HydrophobicContact CB-CD1 3.95Å; A260-I285 HydrophobicContact CB-CG1 4.35Å; I285-S296 CarbonylContact O-C 3.59Å; I285-S296 WeakPolarHBondContact O-CA 3Å; I285-S296 VanDerWaalsContact O-CB 3.24Å; I285-S296 WeakPolarHBondContact O-CB 3.37Å; I285-L297 HydrophobicContact CB-CB 4.2Å; I285-L297 HydrophobicContact CB-CD1 4.46Å; I285-L297 HydrophobicContact CD1-CD1 4.21Å; I285-L297 PolarHBondContact N-O 3.27Å; I285-L297 PolarHBondContact O-N 3.43Å; I285-V314 HydrophobicContact CD1-CG1 3.64Å; I285-V314 HydrophobicContact CG1-CG1 3.77Å; I285-L318 HydrophobicContact CG2-CD1 4.32Å; I285-A326 HydrophobicContact CG2-CB 4.35Å; I285-S327 WeakPolarHBondContact CA-O 3.45Å; I285-V328 HydrophobicContact CG1-CG2 4.37Å; I285-F346 HydrophobicContact CD1-CE2 4.14Å
286C94.7Very high86Confident0 Ų074.7 Ų74.70%035%0.346CS..EExtended strand (participates in β ladder)trans-118.1139.5-167.9-50.30000112.2C291 A326 S327 F329C286-C291 HydrophobicContact CB-CB 4.09Å; C286-C291 WeakPolarHBondContact CB-SG 3.36Å; C286-C291 WeakPolarHBondContact SG-CA 3.46Å; C286-C291 WeakPolarHBondContact SG-CB 3.39Å; C286-C291 CovalentContact SG-SG 2.03Å; C286-C291 PolarHBondContact SG-SG 2.83Å; C286-A326 WeakPolarHBondContact O-CA 3.43Å; C286-S327 PolarHBondContact N-O 3.08Å; C286-S327 PolarHBondContact O-N 3.3Å; C286-F329 HydrophobicContact CB-CD2 3.96Å; C286-F329 HydrophobicContact CB-CE2 3.91Å
287I94.9Very high87.3Confident20 Ų2067.6 Ų67.610%0.10332%0.321CS..EExtended strand (participates in β ladder)trans-81.4123.2172.9-55.1174000108.4S289 R290 T295 L318 L320 Q324 W325I287-S289 VanDerWaalsContact C-N 3.3Å; I287-S289 PolarHBondContact O-N 3.04Å; I287-R290 WeakPolarHBondContact O-CB 3.48Å; I287-R290 PolarHBondContact O-N 2.99Å; I287-T295 WeakPolarHBondContact CG1-O 3.43Å; I287-T295 PolarHBondContact N-O 2.88Å; I287-L318 HydrophobicContact CD1-CD1 4.34Å; I287-L318 HydrophobicContact CG1-CD1 4.08Å; I287-L320 HydrophobicContact CD1-CD2 3.78Å; I287-L320 HydrophobicContact CG1-CD2 3.65Å; I287-L320 HydrophobicContact CG2-CD2 4.29Å; I287-Q324 HydrophobicContact CG2-CB 4.24Å; I287-Q324 HydrophobicContact CG2-CG 4.48Å; I287-W325 CarbonylContact C-O 3.56Å; I287-W325 WeakPolarHBondContact CA-O 3.44Å
288Q92.9Very high88.8Confident72 Ų7265.7 Ų65.734%0.33630%0.302SS..THydrogen-bonded Turntrans53.938.5178.3-60.6179.3-24.200114.6R290 W325Q288-R290 PolarHBondContact O-N 2.86Å; Q288-R290 VanDerWaalsContact O-N 3.08Å; Q288-W325 HydrophobicContact CB-CZ2 4.34Å; Q288-W325 PolarHBondContact N-O 3.01Å
289S90.9Very high89.9Confident54 Ų5456.6 Ų56.638%0.37827%0.272SS..THydrogen-bonded Turntrans57.214.5-170.6-59.70000115.4I287 C291 W325 F329I287-S289 VanDerWaalsContact C-N 3.3Å; I287-S289 PolarHBondContact O-N 3.04Å; S289-C291 PolarHBondContact O-N 2.83Å; S289-W325 WeakPolarHBondContact OG-CH2 3.41Å; S289-W325 WeakPolarHBondContact OG-CZ3 3.3Å; S289-F329 WeakPolarHBondContact OG-CZ 3.32Å
290R91Very high90.2Very high149 Ų14960.2 Ų60.256%0.56229%0.29SS*.BIsolated β-bridgetrans-92.885.8177.8-59.8-179.9-176.3-156.70.6109.7I287 Q288 Q292 T295I287-R290 WeakPolarHBondContact O-CB 3.48Å; I287-R290 PolarHBondContact O-N 2.99Å; Q288-R290 PolarHBondContact O-N 2.86Å; Q288-R290 VanDerWaalsContact O-N 3.08Å; R290-Q292 PolarHBondContact O-N 2.95Å; R290-T295 PolarHBondContact O-OG1 2.8Å
291C88.8Confident90.2Very high40 Ų4060.9 Ų60.927%0.2729%0.294SS..  trans-80.540.5178-55.50000113.1L284 C286 S289L284-C291 HydrophobicContact CD1-CB 4.34Å; C286-C291 HydrophobicContact CB-CB 4.09Å; C286-C291 WeakPolarHBondContact CB-SG 3.36Å; C286-C291 WeakPolarHBondContact SG-CA 3.46Å; C286-C291 WeakPolarHBondContact SG-CB 3.39Å; C286-C291 CovalentContact SG-SG 2.03Å; C286-C291 PolarHBondContact SG-SG 2.83Å; S289-C291 PolarHBondContact O-N 2.83Å
292Q82.4Confident90Very high128 Ų12863.4 Ų63.460%0.59832%0.32SS*.  trans-82.4157.4177.3-63.6169.41400109.8R290 N294 T295 S296R290-Q292 PolarHBondContact O-N 2.95Å; Q292-N294 PolarHBondContact O-N 2.82Å; Q292-T295 PolarHBondContact O-N 2.84Å; Q292-T295 PolarHBondContact O-OG1 2.91Å; Q292-S296 PolarHBondContact O-OG 3.03Å
293R69.7Low89.6Confident217 Ų21760.1 Ų60.182%0.81931%0.308SS*.THydrogen-bonded Turntrans-57134.4172.6-68-175.5-176.8-179.51.7108.8
294N72.5Confident88.7Confident164 Ų16465.8 Ų65.888%0.87734%0.335SS*.THydrogen-bonded Turntrans80.6-5.4-178.4-45.1-29000116.8Q292Q292-N294 PolarHBondContact O-N 2.82Å
295T81.1Confident87.5Confident49 Ų4972.7 Ų72.730%0.30137%0.372SS..SBendtrans-12010.8175.262.60000113I287 R290 Q292I287-T295 WeakPolarHBondContact CG1-O 3.43Å; I287-T295 PolarHBondContact N-O 2.88Å; R290-T295 PolarHBondContact O-OG1 2.8Å; Q292-T295 PolarHBondContact O-N 2.84Å; Q292-T295 PolarHBondContact O-OG1 2.91Å
296S90.9Very high86.5Confident20 Ų2074.4 Ų74.414%0.1438%0.384CS..EExtended strand (participates in β ladder)trans-146.3152.1-179.255.60000111.3I285 Q292I285-S296 CarbonylContact O-C 3.59Å; I285-S296 WeakPolarHBondContact O-CA 3Å; I285-S296 VanDerWaalsContact O-CB 3.24Å; I285-S296 WeakPolarHBondContact O-CB 3.37Å; Q292-S296 PolarHBondContact O-OG 3.03Å
297L93.7Very high85.9Confident25 Ų2577.9 Ų77.913%0.13141%0.408CS..EExtended strand (participates in β ladder)trans-88.2137.3165.1-58.6173.3000108L258 L284 I285 V314 L318L258-L297 HydrophobicContact CB-CD1 3.99Å; L284-L297 CarbonylContact C-O 3.58Å; L284-L297 WeakPolarHBondContact CA-O 3.43Å; I285-L297 HydrophobicContact CB-CB 4.2Å; I285-L297 HydrophobicContact CB-CD1 4.46Å; I285-L297 HydrophobicContact CD1-CD1 4.21Å; I285-L297 PolarHBondContact N-O 3.27Å; I285-L297 PolarHBondContact O-N 3.43Å; L297-V314 HydrophobicContact CB-CG2 3.73Å; L297-L318 HydrophobicContact CD1-CD1 4.29Å; L297-L318 HydrophobicContact CD1-CG 4.03Å; L297-L318 HydrophobicContact CD2-CD2 3.79Å; L297-L318 HydrophobicContact CD2-CG 4.09Å; L297-L318 HydrophobicContact CG-CD1 3.98Å; L297-L318 HydrophobicContact CG-CD2 3.84Å; L297-L318 HydrophobicContact CG-CG 3.75Å
298E94.7Very high85.4Confident79 Ų7984.4 Ų84.437%0.36944%0.438SS..EExtended strand (participates in β ladder)trans-132.8134.4-177.1-176.2175-163.900110.3R282 L283 L284 I300R282-E298 WeakPolarHBondContact CD-OE1 3.11Å; R282-E298 IonicContact CZ-OE1 3.57Å; R282-E298 IonicContact NE-OE1 3.79Å; R282-E298 IonicContact NH1-OE1 2.7Å; R282-E298 PolarHBondContact NH1-OE1 3.16Å; L283-E298 CarbonylContact O-C 3.47Å; L283-E298 WeakPolarHBondContact O-CA 3.39Å; L284-E298 HydrophobicContact CD2-CB 3.7Å; L284-E298 HydrophobicContact CD2-CG 3.63Å; E298-I300 HydrophobicContact CG-CD1 4.5Å; E298-I300 HydrophobicContact CG-CG1 3.97Å; E298-I300 WeakPolarHBondContact OE1-CD1 3.21Å
299A94.3Very high85.3Confident21 Ų2185.8 Ų85.817%0.17445%0.447CS..EExtended strand (participates in β ladder)trans-126.7129.816500000109R282 L283 S313 V314R282-A299 CarbonylContact C-O 3.52Å; R282-A299 WeakPolarHBondContact CA-O 3.37Å; L283-A299 PolarHBondContact N-O 2.93Å; L283-A299 PolarHBondContact O-N 2.89Å; A299-S313 WeakPolarHBondContact CB-O 3.31Å; A299-V314 HydrophobicContact CB-CB 3.78Å; A299-V314 HydrophobicContact CB-CG2 4.04Å
300I93.5Very high85.4Confident97 Ų9784.1 Ų84.150%0.49743%0.433SS..EExtended strand (participates in β ladder)trans-110.4134.4-179-53.3-179.4000109.1H280 L281 R282 E298H280-I300 HydrophobicContact CB-CG2 4.18Å; L281-I300 CarbonylContact O-C 3.54Å; L281-I300 WeakPolarHBondContact O-CA 3.38Å; R282-I300 HydrophobicContact CG-CG1 4.2Å; E298-I300 HydrophobicContact CG-CD1 4.5Å; E298-I300 HydrophobicContact CG-CG1 3.97Å; E298-I300 WeakPolarHBondContact OE1-CD1 3.21Å
301M91.6Very high85.6Confident56 Ų5680 Ų8028%0.27643%0.425SS..EExtended strand (participates in β ladder)trans-130.6128.1177.3-177.5170.1-76.100110.8H280 L281 F310 T311 I312H280-M301 CarbonylContact C-O 3.53Å; H280-M301 WeakPolarHBondContact CA-O 3.31Å; H280-M301 WeakPolarHBondContact CB-O 3.34Å; L281-M301 PolarHBondContact N-O 2.92Å; L281-M301 PolarHBondContact O-N 3.2Å; M301-F310 HydrophobicContact SD-CD2 3.45Å; M301-F310 WeakPolarHBondContact SD-CD2 3.12Å; M301-F310 HydrophobicContact SD-CE2 3.67Å; M301-T311 VanDerWaalsContact CE-O 3.3Å; M301-T311 WeakPolarHBondContact CE-O 3.47Å; M301-I312 HydrophobicContact CB-CD1 3.67Å; M301-I312 HydrophobicContact CB-CG1 4.24Å; M301-I312 HydrophobicContact CE-CB 3.89Å; M301-I312 HydrophobicContact CE-CG1 4.06Å; M301-I312 HydrophobicContact SD-CB 4.02Å; M301-I312 HydrophobicContact SD-CG1 4.42Å
302G89.6Confident85.9Confident53 Ų5378.2 Ų78.255%0.54641%0.412SS..EExtended strand (participates in β ladder)trans-78.4142.8171.600000111.9
303L85.3Confident86.6Confident7 Ų774.9 Ų74.94%0.03740%0.404CS..  trans-93.8-4.7-176-15570.6000113.6L266 D279 L281 N305 S306 F310L266-L303 HydrophobicContact CD1-CD2 4Å; L266-L303 HydrophobicContact CD2-CD2 4.23Å; D279-L303 HydrophobicContact CB-CB 4.12Å; D279-L303 PolarHBondContact O-N 2.99Å; L281-L303 HydrophobicContact CD1-CD1 4.36Å; L303-N305 VanDerWaalsContact C-N 3.3Å; L303-N305 PolarHBondContact O-N 2.72Å; L303-N305 VanDerWaalsContact O-N 3.16Å; L303-S306 WeakPolarHBondContact CD1-OG 3.33Å; L303-S306 VanDerWaalsContact CG-OG 3.3Å; L303-S306 WeakPolarHBondContact CG-OG 3.14Å; L303-S306 PolarHBondContact O-N 2.92Å; L303-S306 VanDerWaalsContact O-N 3.17Å; L303-S306 PolarHBondContact O-OG 2.99Å; L303-F310 HydrophobicContact CD1-CE1 3.7Å; L303-F310 HydrophobicContact CD1-CE2 4.46Å; L303-F310 HydrophobicContact CD1-CZ 3.54Å
304E78.1Confident87.8Confident119 Ų11964.9 Ų64.956%0.55637%0.367SS*.THydrogen-bonded Turntrans-55.1-38.6-167.5-169.4171.1-175.400114.4P275P275-E304 WeakPolarHBondContact CG-O 3.13Å
305N70.4Confident89Confident156 Ų15662.3 Ų62.383%0.83435%0.353SS*.THydrogen-bonded Turntrans-123.724.1179.8-65.7-23.5000112.4L303L303-N305 VanDerWaalsContact C-N 3.3Å; L303-N305 PolarHBondContact O-N 2.72Å; L303-N305 VanDerWaalsContact O-N 3.16Å
306S75.9Confident89.6Confident36 Ų3661.2 Ų61.225%0.25235%0.351SS..  trans-70.5136.9179.362.60000110.8L303L303-S306 WeakPolarHBondContact CD1-OG 3.33Å; L303-S306 VanDerWaalsContact CG-OG 3.3Å; L303-S306 WeakPolarHBondContact CG-OG 3.14Å; L303-S306 PolarHBondContact O-N 2.92Å; L303-S306 VanDerWaalsContact O-N 3.17Å; L303-S306 PolarHBondContact O-OG 2.99Å
307S81.4Confident89.8Confident74 Ų7464.9 Ų64.952%0.51737%0.368SS..  trans-65.6166.2166.541.10000110.4L309 F310S307-L309 PolarHBondContact O-N 3.37Å; S307-L309 VanDerWaalsContact O-N 3.16Å; S307-L309 PolarHBondContact OG-O 3.04Å; S307-F310 WeakPolarHBondContact O-CD1 3.29Å
308E84.8Confident89.8Confident157 Ų15764.5 Ų64.573%0.73437%0.366SS*.SBendtrans-53.8-35.5175.5-174.8179.417900112.3A265 L266A265-E308 CarbonylContact C-O 3.58Å; A265-E308 VanDerWaalsContact CA-O 3.28Å; A265-E308 WeakPolarHBondContact CA-O 3.45Å; L266-E308 PolarHBondContact N-O 2.65Å
309L90.6Very high89.8Confident100 Ų10065.8 Ų65.852%0.52437%0.368SS..EExtended strand (participates in β ladder)trans-121.9129.3172.4-168.9151.2000109.6V264 S307V264-L309 WeakPolarHBondContact O-CA 3.45Å; S307-L309 PolarHBondContact O-N 3.37Å; S307-L309 VanDerWaalsContact O-N 3.16Å; S307-L309 PolarHBondContact OG-O 3.04Å
310F92.8Very high89.8Confident20 Ų2064.8 Ų64.89%0.08836%0.36CS..EExtended strand (participates in β ladder)trans-145.2171.1177.861.7-87.6000110.7V264 L281 M301 L303 S307V264-F310 HydrophobicContact CB-CD2 4.3Å; V264-F310 HydrophobicContact CB-CE1 4.12Å; V264-F310 HydrophobicContact CB-CE2 3.77Å; V264-F310 HydrophobicContact CB-CZ 3.67Å; V264-F310 HydrophobicContact CG1-CE1 3.93Å; V264-F310 HydrophobicContact CG1-CE2 4.11Å; V264-F310 HydrophobicContact CG1-CZ 3.52Å; V264-F310 HydrophobicContact CG2-CE2 4.26Å; V264-F310 HydrophobicContact CG2-CZ 4.49Å; V264-F310 PolarHBondContact N-O 2.85Å; V264-F310 PolarHBondContact O-N 2.97Å; L281-F310 HydrophobicContact CD1-CE2 3.72Å; L281-F310 HydrophobicContact CD1-CZ 3.5Å; L281-F310 VanDerWaalsContact CD1-CZ 3.5Å; M301-F310 HydrophobicContact SD-CD2 3.45Å; M301-F310 WeakPolarHBondContact SD-CD2 3.12Å; M301-F310 HydrophobicContact SD-CE2 3.67Å; L303-F310 HydrophobicContact CD1-CE1 3.7Å; L303-F310 HydrophobicContact CD1-CE2 4.46Å; L303-F310 HydrophobicContact CD1-CZ 3.54Å; S307-F310 WeakPolarHBondContact O-CD1 3.29Å
311T94.8Very high89.9Confident62 Ų6265.3 Ų65.338%0.3836%0.36SS..EExtended strand (participates in β ladder)trans-125.2128.6-177.2-58.70000110.4T261 L262 H263 M301T261-T311 HydrophobicContact CG2-CG2 3.36Å; L262-T311 VanDerWaalsContact O-CA 3.3Å; L262-T311 WeakPolarHBondContact O-CA 3.46Å; H263-T311 PolarHBondContact ND1-OG1 2.87Å; M301-T311 VanDerWaalsContact CE-O 3.3Å; M301-T311 WeakPolarHBondContact CE-O 3.47Å
312I95.8Very high90Very high2 Ų269.7 Ų69.71%0.0138%0.382CS..EExtended strand (participates in β ladder)trans-114.1134.2172-174.1172.6000109.1L262 V264 L281 L283 M301L262-I312 HydrophobicContact CB-CG2 3.94Å; L262-I312 PolarHBondContact N-O 2.91Å; L262-I312 PolarHBondContact O-N 2.86Å; V264-I312 HydrophobicContact CG2-CG2 4.15Å; L281-I312 HydrophobicContact CB-CD1 4.28Å; L283-I312 HydrophobicContact CB-CD1 3.74Å; L283-I312 HydrophobicContact CB-CG1 3.97Å; L283-I312 HydrophobicContact CB-CG2 4.44Å; L283-I312 HydrophobicContact CD2-CG1 4.31Å; L283-I312 HydrophobicContact CD2-CG2 4.26Å; M301-I312 HydrophobicContact CB-CD1 3.67Å; M301-I312 HydrophobicContact CB-CG1 4.24Å; M301-I312 HydrophobicContact CE-CB 3.89Å; M301-I312 HydrophobicContact CE-CG1 4.06Å; M301-I312 HydrophobicContact SD-CB 4.02Å; M301-I312 HydrophobicContact SD-CG1 4.42Å
313S96.5Very high90.2Very high59 Ų5968.1 Ų68.141%0.41337%0.365SS..EExtended strand (participates in β ladder)trans-134.4144-178.461.80000111.8A260 A299A260-S313 CarbonylContact O-C 3.57Å; A260-S313 VanDerWaalsContact O-CA 3.23Å; A260-S313 WeakPolarHBondContact O-CA 3.22Å; A299-S313 WeakPolarHBondContact CB-O 3.31Å
314V96.4Very high90.6Very high7 Ų769.3 Ų69.34%0.04237%0.371CS..EExtended strand (participates in β ladder)trans-128.2133.9170.967.90000108.9A259 A260 L283 I285 L297 A299A259-V314 WeakPolarHBondContact CA-O 3.35Å; A260-V314 HydrophobicContact CB-CG1 4.09Å; A260-V314 PolarHBondContact N-O 3.37Å; A260-V314 PolarHBondContact O-N 2.97Å; L283-V314 HydrophobicContact CD2-CB 4.15Å; L283-V314 HydrophobicContact CD2-CG1 3.79Å; L283-V314 HydrophobicContact CG-CB 4.18Å; L283-V314 HydrophobicContact CG-CG1 3.69Å; I285-V314 HydrophobicContact CD1-CG1 3.64Å; I285-V314 HydrophobicContact CG1-CG1 3.77Å; L297-V314 HydrophobicContact CB-CG2 3.73Å; A299-V314 HydrophobicContact CB-CB 3.78Å; A299-V314 HydrophobicContact CB-CG2 4.04Å
315N96.6Very high91.4Very high110 Ų11066 Ų6659%0.58835%0.353SS*.EExtended strand (participates in β ladder)trans-134.7136.8178.3-61.6-53.5000108.5A259A259-N315 WeakPolarHBondContact CB-OD1 3.28Å
316G94.9Very high92.6Very high25 Ų2558.6 Ų58.626%0.25831%0.314SS..EExtended strand (participates in β ladder)trans179.9-176.4177.400000112.9L258L258-G316 PolarHBondContact N-O 3Å; L258-G316 PolarHBondContact O-N 2.74Å; L258-G316 VanDerWaalsContact O-O 3.14Å
317I94.7Very high93.5Very high98 Ų9856.9 Ų56.950%0.50330%0.302SS..EExtended strand (participates in β ladder)trans-117.2130.5-179.3-59.1170.5000107.9F255 Y256 L351F255-I317 HydrophobicContact CB-CG2 4.03Å; F255-I317 HydrophobicContact CD1-CG2 4.1Å; Y256-I317 WeakPolarHBondContact O-CA 3.3Å; I317-L351 HydrophobicContact CD1-CD1 3.95Å; I317-L351 HydrophobicContact CG1-CD1 4.24Å
318L93.8Very high94.3Very high16 Ų1653.3 Ų53.38%0.08428%0.277CS..EExtended strand (participates in β ladder)trans-121.7140.3170.3-64.4179.4000109.9Y256 L258 I285 I287 L297 L320Y256-L318 PolarHBondContact N-O 2.83Å; Y256-L318 PolarHBondContact O-N 2.9Å; L258-L318 HydrophobicContact CD1-CB 3.76Å; L258-L318 HydrophobicContact CD1-CD1 3.72Å; L258-L318 HydrophobicContact CD1-CG 3.9Å; I285-L318 HydrophobicContact CG2-CD1 4.32Å; I287-L318 HydrophobicContact CD1-CD1 4.34Å; I287-L318 HydrophobicContact CG1-CD1 4.08Å; L297-L318 HydrophobicContact CD1-CD1 4.29Å; L297-L318 HydrophobicContact CD1-CG 4.03Å; L297-L318 HydrophobicContact CD2-CD2 3.79Å; L297-L318 HydrophobicContact CD2-CG 4.09Å; L297-L318 HydrophobicContact CG-CD1 3.98Å; L297-L318 HydrophobicContact CG-CD2 3.84Å; L297-L318 HydrophobicContact CG-CG 3.75Å; L318-L320 HydrophobicContact CB-CD2 4.48Å
319Y94Very high94.8Very high106 Ų10646.4 Ų46.442%0.41624%0.244SC..EExtended strand (participates in β ladder)trans-82.8119.3167.2-175.3-93.7000108.9G254 F255 Q321G254-Y319 WeakPolarHBondContact O-CA 3.3Å; F255-Y319 HydrophobicContact CD1-CD2 4.06Å; F255-Y319 HydrophobicContact CD2-CD2 4.19Å; F255-Y319 AromaticContact CE1-CD2 3.9Å; F255-Y319 HydrophobicContact CE1-CD2 3.9Å; F255-Y319 HydrophobicContact CE1-CG 4.48Å; F255-Y319 HydrophobicContact CE2-CD2 4.03Å; F255-Y319 HydrophobicContact CE2-CE2 4.35Å; F255-Y319 HydrophobicContact CG-CD2 4.21Å; F255-Y319 AromaticContact CZ-CD2 3.89Å; F255-Y319 HydrophobicContact CZ-CD2 3.89Å; F255-Y319 HydrophobicContact CZ-CE2 4.48Å; Y319-Q321 HydrophobicContact CE1-CG 4.14Å
320L94Very high95Very high0 Ų041.6 Ų41.60%022%0.219CC..EExtended strand (participates in β ladder)trans-112.2132.5177.2-57.7175.8000109.2Y248 A250 A253 G254 Y256 I287 L318 A326Y248-L320 HydrophobicContact CD1-CD1 4.28Å; Y248-L320 HydrophobicContact CE1-CD1 4.25Å; A250-L320 HydrophobicContact CB-CB 3.65Å; A250-L320 HydrophobicContact CB-CD1 4.07Å; A253-L320 CarbonylContact C-O 3.58Å; A253-L320 VanDerWaalsContact CA-O 3.24Å; A253-L320 WeakPolarHBondContact CA-O 3.43Å; G254-L320 PolarHBondContact N-O 2.95Å; G254-L320 PolarHBondContact O-N 2.88Å; Y256-L320 HydrophobicContact CD2-CB 3.65Å; Y256-L320 HydrophobicContact CD2-CD1 3.65Å; Y256-L320 HydrophobicContact CD2-CG 3.73Å; Y256-L320 HydrophobicContact CE2-CB 3.72Å; Y256-L320 HydrophobicContact CE2-CD1 4.15Å; Y256-L320 HydrophobicContact CE2-CG 4.27Å; Y256-L320 HydrophobicContact CG-CD1 3.87Å; Y256-L320 HydrophobicContact CG-CG 4.34Å; I287-L320 HydrophobicContact CD1-CD2 3.78Å; I287-L320 HydrophobicContact CG1-CD2 3.65Å; I287-L320 HydrophobicContact CG2-CD2 4.29Å; L318-L320 HydrophobicContact CB-CD2 4.48Å; L320-A326 HydrophobicContact CD1-CB 4.4Å; L320-A326 HydrophobicContact CD2-CB 4.44Å
321Q94.9Very high95.1Very high109 Ų10942.7 Ų42.751%0.50923%0.226SC..  trans-79.4156.3169.9-58.8176.6-26.800110.5Y319 G323 Q324Y319-Q321 HydrophobicContact CE1-CG 4.14Å; Q321-G323 PolarHBondContact O-N 2.93Å; Q321-Q324 HydrophobicContact CB-CG 3.89Å; Q321-Q324 VanDerWaalsContact O-CB 3.31Å; Q321-Q324 WeakPolarHBondContact O-CB 3.35Å; Q321-Q324 PolarHBondContact O-N 2.91Å; Q321-Q324 VanDerWaalsContact OE1-NE2 3.13Å
322M94.3Very high95.1Very high147 Ų14739.8 Ų39.872%0.72421%0.208SC*.THydrogen-bonded Turntrans-52.6125.5175.7-176.9-179.4-175.600110.9Q324M322-Q324 VanDerWaalsContact C-N 3.25Å; M322-Q324 PolarHBondContact O-N 2.91Å
323G93.6Very high94.9Very high20 Ų2040.6 Ų40.621%0.20622%0.215CC..THydrogen-bonded Turntrans79.3-5.2-179.700000115.6R249 A250 Q321R249-G323 PolarHBondContact NH1-O 3.25Å; R249-G323 PolarHBondContact NH2-O 3.33Å; A250-G323 PolarHBondContact O-N 2.03Å; Q321-G323 PolarHBondContact O-N 2.93Å
324Q94.8Very high94.5Very high32 Ų3237.8 Ų37.815%0.1520%0.195CC..  trans-67.9153.3163.8-71.4-176.9-24.300109.8R249 A250 I287 Q321 M322R249-Q324 CarbonylContact C-O 3.59Å; R249-Q324 VanDerWaalsContact CA-O 3.32Å; R249-Q324 WeakPolarHBondContact CA-O 3.49Å; A250-Q324 PolarHBondContact N-O 3.2Å; I287-Q324 HydrophobicContact CG2-CB 4.24Å; I287-Q324 HydrophobicContact CG2-CG 4.48Å; Q321-Q324 HydrophobicContact CB-CG 3.89Å; Q321-Q324 VanDerWaalsContact O-CB 3.31Å; Q321-Q324 WeakPolarHBondContact O-CB 3.35Å; Q321-Q324 PolarHBondContact O-N 2.91Å; Q321-Q324 VanDerWaalsContact OE1-NE2 3.13Å; M322-Q324 VanDerWaalsContact C-N 3.25Å; M322-Q324 PolarHBondContact O-N 2.91Å
325W94.6Very high94Very high50 Ų5039.1 Ų39.119%0.18921%0.211CC..EExtended strand (participates in β ladder)trans-126.9148.6178.855-90.4000111.3Q247 Y248 R249 I287 Q288 S289 S327Q247-W325 HydrophobicContact CB-CE3 4.3Å; Q247-W325 HydrophobicContact CG-CE3 3.85Å; Q247-W325 HydrophobicContact CG-CZ3 4.02Å; Y248-W325 CarbonylContact O-C 3.46Å; Y248-W325 WeakPolarHBondContact O-CA 3.47Å; R249-W325 HydrophobicContact CB-CB 4.37Å; I287-W325 CarbonylContact C-O 3.56Å; I287-W325 WeakPolarHBondContact CA-O 3.44Å; Q288-W325 HydrophobicContact CB-CZ2 4.34Å; Q288-W325 PolarHBondContact N-O 3.01Å; S289-W325 WeakPolarHBondContact OG-CH2 3.41Å; S289-W325 WeakPolarHBondContact OG-CZ3 3.3Å; W325-S327 WeakPolarHBondContact CZ3-OG 3.07Å
326A95.4Very high93.5Very high0 Ų034.8 Ų34.80%019%0.189CC..EExtended strand (participates in β ladder)trans-120.9139.4175.500000109.9Y248 I285 C286 L320Y248-A326 PolarHBondContact N-O 3.07Å; Y248-A326 PolarHBondContact O-N 3.04Å; I285-A326 HydrophobicContact CG2-CB 4.35Å; C286-A326 WeakPolarHBondContact O-CA 3.43Å; L320-A326 HydrophobicContact CD1-CB 4.4Å; L320-A326 HydrophobicContact CD2-CB 4.44Å
327S95.5Very high93.3Very high0 Ų035 Ų350%019%0.186CC..EExtended strand (participates in β ladder)trans-138.8164171.757.80000111.5E222 I285 C286 W325 F329E222-S327 VanDerWaalsContact OE1-CB 3.29Å; E222-S327 WeakPolarHBondContact OE1-CB 3.38Å; E222-S327 PolarHBondContact OE1-OG 2.96Å; I285-S327 WeakPolarHBondContact CA-O 3.45Å; C286-S327 PolarHBondContact N-O 3.08Å; C286-S327 PolarHBondContact O-N 3.3Å; W325-S327 WeakPolarHBondContact CZ3-OG 3.07Å; S327-F329 WeakPolarHBondContact OG-CE2 3.24Å; S327-F329 WeakPolarHBondContact OG-CZ 3.12Å
328V96.7Very high93.3Very high0 Ų030.3 Ų30.30%016%0.162CC..EExtended strand (participates in β ladder)trans-96.7129.7-176.7-174.30000109.2L223 A260 L283 L284 I285 F346L223-V328 HydrophobicContact CD1-CG1 4.05Å; L223-V328 PolarHBondContact N-O 3.29Å; A260-V328 HydrophobicContact CB-CG1 4.01Å; A260-V328 HydrophobicContact CB-CG2 4.01Å; L283-V328 HydrophobicContact CD1-CG1 3.52Å; L284-V328 CarbonylContact O-C 3.45Å; L284-V328 WeakPolarHBondContact O-CA 3.47Å; I285-V328 HydrophobicContact CG1-CG2 4.37Å; V328-F346 HydrophobicContact CG2-CB 4.06Å; V328-F346 HydrophobicContact CG2-CD1 3.89Å; V328-F346 HydrophobicContact CG2-CD2 3.43Å; V328-F346 VanDerWaalsContact CG2-CD2 3.43Å; V328-F346 HydrophobicContact CG2-CE1 4.17Å; V328-F346 HydrophobicContact CG2-CE2 3.76Å; V328-F346 HydrophobicContact CG2-CG 3.52Å; V328-F346 HydrophobicContact CG2-CZ 4.11Å
329F95.9Very high93.3Very high11 Ų1130.4 Ų30.45%0.04816%0.164CC..EExtended strand (participates in β ladder)trans-120.6146.5175.7-64-97.5000110.6L220 H221 E222 L283 L284 C286 S289 S327L220-F329 HydrophobicContact CD1-CB 3.84Å; L220-F329 HydrophobicContact CD1-CD1 4.38Å; L220-F329 HydrophobicContact CD1-CG 4.49Å; L220-F329 HydrophobicContact CD2-CD1 4.19Å; L220-F329 HydrophobicContact CG-CB 4.44Å; L220-F329 HydrophobicContact CG-CD1 4.07Å; H221-F329 CarbonylContact O-C 3.53Å; H221-F329 VanDerWaalsContact O-CA 3.3Å; H221-F329 WeakPolarHBondContact O-CA 3.39Å; E222-F329 HydrophobicContact CB-CD1 3.77Å; E222-F329 HydrophobicContact CB-CE1 3.45Å; E222-F329 VanDerWaalsContact CB-CE1 3.45Å; E222-F329 HydrophobicContact CB-CZ 4.1Å; E222-F329 HydrophobicContact CG-CD1 4.12Å; E222-F329 HydrophobicContact CG-CE1 3.61Å; E222-F329 HydrophobicContact CG-CE2 4.35Å; E222-F329 HydrophobicContact CG-CZ 3.7Å; L283-F329 WeakPolarHBondContact CD1-O 3.23Å; L284-F329 HydrophobicContact CB-CB 4.17Å; L284-F329 PolarHBondContact N-O 2.84Å; L284-F329 PolarHBondContact O-N 3.15Å; C286-F329 HydrophobicContact CB-CD2 3.96Å; C286-F329 HydrophobicContact CB-CE2 3.91Å; S289-F329 WeakPolarHBondContact OG-CZ 3.32Å; S327-F329 WeakPolarHBondContact OG-CE2 3.24Å; S327-F329 WeakPolarHBondContact OG-CZ 3.12Å
330L96Very high93.4Very high0 Ų025.3 Ų25.30%014%0.144CC..EExtended strand (participates in β ladder)trans-119.7115.7169-174.262.6000108.9V215 H221 L262 V264 L281 L283 L338 V340V215-L330 HydrophobicContact CG2-CD2 4.26Å; H221-L330 PolarHBondContact N-O 2.93Å; H221-L330 PolarHBondContact O-N 3.16Å; L262-L330 HydrophobicContact CD1-CB 4.35Å; L262-L330 HydrophobicContact CD1-CD1 4.21Å; L262-L330 HydrophobicContact CD1-CD2 4.21Å; V264-L330 HydrophobicContact CG2-CD2 4.42Å; L281-L330 HydrophobicContact CB-CD1 4.36Å; L283-L330 HydrophobicContact CB-CD1 4.46Å; L330-L338 HydrophobicContact CD2-CD1 3.67Å; L330-V340 HydrophobicContact CD2-CG2 3.43Å; L330-V340 VanDerWaalsContact CD2-CG2 3.43Å
331D94.9Very high93.5Very high43 Ų4326.3 Ų26.323%0.2315%0.151CC..EExtended strand (participates in β ladder)trans-89.8113.5171.1-174.213.8000109.2L220 L281 R282 L284L220-D331 HydrophobicContact CD1-CB 3.75Å; L281-D331 WeakPolarHBondContact CA-O 3.49Å; R282-D331 HydrophobicContact CB-CB 3.92Å; R282-D331 HydrophobicContact CG-CB 4.35Å; R282-D331 PolarHBondContact N-O 2.69Å; R282-D331 PolarHBondContact O-N 3.17Å; L284-D331 HydrophobicContact CD1-CB 4.36Å
332N94.4Very high93.5Very high0 Ų024.1 Ų24.10%015%0.147CC..EExtended strand (participates in β ladder)trans-94.390.1174.5-179.912.8000110.1V215 E216 R218 A219 L281 S334 S336 L338V215-N332 HydrophobicContact CG1-CB 3.68Å; E216-N332 WeakPolarHBondContact O-CB 2.97Å; E216-N332 PolarHBondContact O-ND2 2.85Å; R218-N332 CarbonylContact C-O 3.58Å; R218-N332 WeakPolarHBondContact CA-O 3.43Å; R218-N332 PolarHBondContact N-O 2.8Å; A219-N332 PolarHBondContact N-O 2.88Å; A219-N332 PolarHBondContact O-N 2.95Å; L281-N332 HydrophobicContact CD2-CB 4.1Å; L281-N332 WeakPolarHBondContact CD2-OD1 3.32Å; N332-S334 PolarHBondContact O-N 3.41Å; N332-S334 WeakPolarHBondContact OD1-CB 3.45Å; N332-S334 PolarHBondContact OD1-N 3.15Å; N332-S334 PolarHBondContact OD1-OG 2.7Å; N332-S336 PolarHBondContact ND2-O 3.39Å; N332-L338 HydrophobicContact CB-CD2 4.02Å
333A91.8Very high93.3Very high19 Ų1918.2 Ų18.216%0.15712%0.124CC..  trans-78.6-0.417500000113.4H280H280-A333 VanDerWaalsContact CE1-CB 3.47Å; H280-A333 WeakPolarHBondContact CE1-CB 3.31Å; H280-A333 VanDerWaalsContact O-CB 3.31Å; H280-A333 WeakPolarHBondContact O-CB 3.38Å; H280-A333 PolarHBondContact O-N 2.81Å; H280-A333 VanDerWaalsContact O-N 3.15Å
334S88.3Confident93.5Very high0 Ų017.3 Ų17.30%012%0.115CC..SBendtrans-76.2164.4179.985.80000112.9R218 N332 S336R218-S334 PolarHBondContact N-O 3.23Å; N332-S334 PolarHBondContact O-N 3.41Å; N332-S334 WeakPolarHBondContact OD1-CB 3.45Å; N332-S334 PolarHBondContact OD1-N 3.15Å; N332-S334 PolarHBondContact OD1-OG 2.7Å; S334-S336 VanDerWaalsContact C-N 3.32Å; S334-S336 PolarHBondContact OG-N 2.94Å; S334-S336 PolarHBondContact OG-O 3.37Å; S334-S336 VanDerWaalsContact OG-O 3.05Å; S334-S336 PolarHBondContact OG-OG 3.05Å
335G84.7Confident93.4Very high35 Ų3518.3 Ų18.336%0.36112%0.119SC..SBendtrans-78.9-9.217600000115.4R217R217-G335 WeakPolarHBondContact CB-O 3.4Å; R217-G335 WeakPolarHBondContact CD-O 3.34Å
336S86.8Confident93.5Very high19 Ų1916 Ų1613%0.13311%0.11CC..SBendtrans-113.7152-174.945.80000111.6N332 S334N332-S336 PolarHBondContact ND2-O 3.39Å; S334-S336 VanDerWaalsContact C-N 3.32Å; S334-S336 PolarHBondContact OG-N 2.94Å; S334-S336 PolarHBondContact OG-O 3.37Å; S334-S336 VanDerWaalsContact OG-O 3.05Å; S334-S336 PolarHBondContact OG-OG 3.05Å
337S91.1Very high93.5Very high29 Ų2916.9 Ų16.920%0.20312%0.117CC..  trans-75.4150168.155.50000110.4V215V215-S337 WeakPolarHBondContact O-CA 3.42Å
338L93.1Very high93.5Very high0 Ų016.9 Ų16.90%012%0.117CC..EExtended strand (participates in β ladder)trans-134160.4179.661.686.4000110V215 V264 L266 L281 L330 N332 V340V215-L338 HydrophobicContact CB-CD1 3.59Å; V215-L338 HydrophobicContact CB-CG 4.03Å; V215-L338 HydrophobicContact CG1-CD1 4.28Å; V215-L338 HydrophobicContact CG2-CD1 3.89Å; V215-L338 PolarHBondContact N-O 3.4Å; V215-L338 PolarHBondContact O-N 2.84Å; V264-L338 HydrophobicContact CG1-CB 4.02Å; V264-L338 HydrophobicContact CG1-CD1 3.77Å; V264-L338 HydrophobicContact CG1-CD2 4.26Å; V264-L338 HydrophobicContact CG1-CG 4.24Å; L266-L338 HydrophobicContact CD1-CB 4.1Å; L281-L338 HydrophobicContact CD1-CD2 3.73Å; L281-L338 HydrophobicContact CD2-CD2 3.36Å; L281-L338 HydrophobicContact CG-CD2 4.22Å; L330-L338 HydrophobicContact CD2-CD1 3.67Å; N332-L338 HydrophobicContact CB-CD2 4.02Å; L338-V340 HydrophobicContact CD1-CG2 4.19Å
339T95.2Very high93.4Very high18 Ų1818.9 Ų18.911%0.1113%0.129CC..EExtended strand (participates in β ladder)trans-119.1121.917846.60000109.6A213 L214 V264 A265 R267 C341A213-T339 CarbonylContact O-C 3.52Å; A213-T339 WeakPolarHBondContact O-CA 3.22Å; L214-T339 HydrophobicContact CD1-CG2 3.82Å; V264-T339 WeakPolarHBondContact CA-O 3.28Å; A265-T339 PolarHBondContact N-O 2.76Å; A265-T339 PolarHBondContact O-N 3.48Å; A265-T339 PolarHBondContact O-OG1 2.9Å; A265-T339 VanDerWaalsContact O-OG1 3.04Å; R267-T339 HydrophobicContact CG-CG2 4.46Å; T339-C341 PolarHBondContact O-N 3.31Å
340V96.5Very high93.3Very high0 Ų019 Ų190%013%0.13CC..EExtended strand (participates in β ladder)trans-78.6117.7167.1-177.80000107.3L209 D212 A213 V215 L223 L262 H263 L330 L338 S344L209-V340 HydrophobicContact CD2-CB 4.3Å; L209-V340 HydrophobicContact CD2-CG1 3.78Å; D212-V340 CarbonylContact C-O 3.48Å; D212-V340 WeakPolarHBondContact CA-O 3.26Å; A213-V340 HydrophobicContact CB-CB 4.35Å; A213-V340 PolarHBondContact N-O 3.33Å; A213-V340 PolarHBondContact O-N 2.59Å; V215-V340 HydrophobicContact CG2-CG2 4.04Å; L223-V340 HydrophobicContact CD1-CG1 4.34Å; L223-V340 HydrophobicContact CD2-CB 4.24Å; L223-V340 HydrophobicContact CD2-CG1 4.29Å; L223-V340 HydrophobicContact CD2-CG2 4.11Å; L262-V340 HydrophobicContact CB-CG1 4.24Å; L262-V340 HydrophobicContact CD1-CG1 4.48Å; L262-V340 HydrophobicContact CD2-CG1 4.2Å; H263-V340 CarbonylContact O-C 3.51Å; L330-V340 HydrophobicContact CD2-CG2 3.43Å; L330-V340 VanDerWaalsContact CD2-CG2 3.43Å; L338-V340 HydrophobicContact CD1-CG2 4.19Å; V340-S344 WeakPolarHBondContact CG1-OG 3.3Å
341C95.9Very high93.1Very high21 Ų2124 Ų2414%0.14216%0.156CC..PPolyproline II helixtrans-72.5147.7-175.5-540000110.9H263 T339 S344H263-C341 HydrophobicContact CB-CB 4.05Å; H263-C341 WeakPolarHBondContact O-CB 3.39Å; H263-C341 PolarHBondContact O-N 3.04Å; T339-C341 PolarHBondContact O-N 3.31Å; C341-S344 WeakPolarHBondContact O-CB 3.46Å; C341-S344 PolarHBondContact O-N 2.83Å; C341-S344 PolarHBondContact O-OG 3.17Å
342S94.4Very high92.8Very high62 Ų6223.4 Ų23.443%0.43416%0.16SC..THydrogen-bonded Turntrans-52.9147.3163.352.80000111.1D212 S344D212-S342 WeakPolarHBondContact OD1-CB 3.01Å; D212-S342 PolarHBondContact OD1-N 3.44Å; D212-S342 PolarHBondContact OD1-OG 2.86Å; D212-S342 VanDerWaalsContact OD1-OG 3.07Å; S342-S344 VanDerWaalsContact C-N 3.32Å; S342-S344 PolarHBondContact O-N 2.67Å
343G90.8Very high92.4Very high23 Ų2329.8 Ų29.824%0.23720%0.198CC..THydrogen-bonded Turntrans88.5-12.5-173.900000115.3L209L209-G343 PolarHBondContact O-N 3.3Å
344S95.9Very high92.4Very high2 Ų230.3 Ų30.31%0.01420%0.2CC..  trans-52.4137.7163.8-63.30000110.3R208 L209 T261 H263 V340 C341 S342R208-S344 CarbonylContact C-O 3.6Å; R208-S344 VanDerWaalsContact CA-O 3.3Å; R208-S344 WeakPolarHBondContact CA-O 3.15Å; L209-S344 PolarHBondContact N-O 3.29Å; T261-S344 CarbonylContact O-C 3.59Å; T261-S344 WeakPolarHBondContact O-CA 3.4Å; H263-S344 PolarHBondContact N-OG 3.27Å; V340-S344 WeakPolarHBondContact CG1-OG 3.3Å; C341-S344 WeakPolarHBondContact O-CB 3.46Å; C341-S344 PolarHBondContact O-N 2.83Å; C341-S344 PolarHBondContact O-OG 3.17Å; S342-S344 VanDerWaalsContact C-N 3.32Å; S342-S344 PolarHBondContact O-N 2.67Å
345H94.4Very high92.6Very high53 Ų5331.9 Ų31.925%0.24521%0.211CC..EExtended strand (participates in β ladder)trans-123149-170.364.1-97.7000113.8L206 C207 R208 A260 T261L206-H345 HydrophobicContact CD1-CB 4.06Å; C207-H345 VanDerWaalsContact O-CA 3.24Å; C207-H345 WeakPolarHBondContact O-CA 3.35Å; C207-H345 WeakPolarHBondContact O-CB 3.13Å; R208-H345 HydrophobicContact CG-CB 4.17Å; A260-H345 WeakPolarHBondContact CA-O 3.38Å; T261-H345 WeakPolarHBondContact CB-CE1 3.38Å; T261-H345 VanDerWaalsContact CB-NE2 3.31Å; T261-H345 WeakPolarHBondContact CB-NE2 3.31Å; T261-H345 PolarHBondContact N-O 3.46Å; T261-H345 PolarHBondContact O-N 3.31Å; T261-H345 PolarHBondContact OG1-CE1 2.8Å; T261-H345 VanDerWaalsContact OG1-CE1 3.32Å; T261-H345 PolarHBondContact OG1-NE2 3.33Å
346F95.8Very high93.1Very high1 Ų131.7 Ų31.70%0.00420%0.202CC..EExtended strand (participates in β ladder)trans-131.1135.1173173.6-134000108.8F205 C207 Y226 L258 A259 A260 I285 V328F205-F346 AromaticContact CE2-CD1 3.71Å; F205-F346 HydrophobicContact CE2-CD1 3.71Å; F205-F346 AromaticContact CE2-CE1 3.82Å; F205-F346 HydrophobicContact CE2-CE1 3.82Å; F205-F346 HydrophobicContact CE2-CG 4.26Å; F205-F346 HydrophobicContact CE2-CZ 4.42Å; F205-F346 AromaticContact CZ-CD1 3.97Å; F205-F346 HydrophobicContact CZ-CD1 3.97Å; F205-F346 AromaticContact CZ-CE1 3.56Å; F205-F346 HydrophobicContact CZ-CE1 3.56Å; F205-F346 AromaticContact CZ-CZ 3.9Å; F205-F346 HydrophobicContact CZ-CZ 3.9Å; C207-F346 PolarHBondContact N-O 2.96Å; C207-F346 PolarHBondContact O-N 2.86Å; C207-F346 PolarHBondContact SG-O 2.88Å; C207-F346 VanDerWaalsContact SG-O 3.34Å; Y226-F346 HydrophobicContact CE1-CB 4.19Å; L258-F346 HydrophobicContact CD2-CE2 3.76Å; L258-F346 HydrophobicContact CD2-CZ 3.79Å; A259-F346 CarbonylContact O-C 3.51Å; A259-F346 WeakPolarHBondContact O-CA 3.5Å; A259-F346 WeakPolarHBondContact O-CD2 3.32Å; A260-F346 HydrophobicContact CB-CD2 4.11Å; I285-F346 HydrophobicContact CD1-CE2 4.14Å; V328-F346 HydrophobicContact CG2-CB 4.06Å; V328-F346 HydrophobicContact CG2-CD1 3.89Å; V328-F346 HydrophobicContact CG2-CD2 3.43Å; V328-F346 VanDerWaalsContact CG2-CD2 3.43Å; V328-F346 HydrophobicContact CG2-CE1 4.17Å; V328-F346 HydrophobicContact CG2-CE2 3.76Å; V328-F346 HydrophobicContact CG2-CG 3.52Å; V328-F346 HydrophobicContact CG2-CZ 4.11Å
347S95.2Very high93.5Very high19 Ų1932.5 Ų32.513%0.13321%0.207CC..EExtended strand (participates in β ladder)trans-141.7151.7-179.159.60000111.8F205 L258 A259F205-S347 WeakPolarHBondContact O-CA 3.17Å; F205-S347 WeakPolarHBondContact O-CB 3.17Å; L258-S347 WeakPolarHBondContact CA-O 3.21Å; A259-S347 PolarHBondContact N-O 2.71Å; A259-S347 PolarHBondContact O-N 2.93Å; A259-S347 PolarHBondContact O-OG 2.85Å
348A95.1Very high93.6Very high0 Ų032.7 Ų32.70%021%0.207CC..EExtended strand (participates in β ladder)trans-142.2150.8169.700000111.2A204 F205 Y248 A257 L258A204-A348 CarbonylContact C-O 3.54Å; A204-A348 WeakPolarHBondContact CA-O 3.33Å; F205-A348 HydrophobicContact CD1-CB 4Å; F205-A348 HydrophobicContact CE1-CB 3.25Å; F205-A348 HydrophobicContact CZ-CB 3.6Å; F205-A348 PolarHBondContact N-O 3.21Å; F205-A348 PolarHBondContact O-N 3.34Å; Y248-A348 HydrophobicContact CE1-CB 4.47Å; A257-A348 CarbonylContact O-C 3.59Å; A257-A348 WeakPolarHBondContact O-CA 2.98Å; L258-A348 HydrophobicContact CD2-CB 3.47Å; L258-A348 VanDerWaalsContact CD2-CB 3.47Å; L258-A348 HydrophobicContact CG-CB 4.19Å
349V94.9Very high93.6Very high42 Ų4234.9 Ų34.926%0.25522%0.221SC..EExtended strand (participates in β ladder)trans-139.1127.5173.9-177.70000109.1V201 A204 F235 Y256 A257 L351V201-V349 HydrophobicContact CG1-CG1 3.85Å; A204-V349 HydrophobicContact CB-CB 4.41Å; A204-V349 HydrophobicContact CB-CG1 4.27Å; A204-V349 HydrophobicContact CB-CG2 4.08Å; F235-V349 HydrophobicContact CE2-CG2 4.17Å; F235-V349 HydrophobicContact CZ-CG2 4.42Å; Y256-V349 CarbonylContact C-O 3.5Å; Y256-V349 WeakPolarHBondContact CA-O 3.46Å; A257-V349 PolarHBondContact N-O 2.85Å; A257-V349 PolarHBondContact O-N 2.8Å; V349-L351 PolarHBondContact O-N 3.09Å
350L94Very high93.5Very high14 Ų1436.1 Ų36.17%0.07323%0.228CC..EExtended strand (participates in β ladder)trans-71.1120.5168.7178.269.5000109E202 A203 V252 Y256E202-L350 HydrophobicContact CB-CD2 3.73Å; A203-L350 HydrophobicContact CB-CB 4.26Å; A203-L350 PolarHBondContact O-N 3.13Å; V252-L350 HydrophobicContact CG2-CD1 4.2Å; V252-L350 HydrophobicContact CG2-CD2 3.48Å; V252-L350 VanDerWaalsContact CG2-CD2 3.48Å; V252-L350 HydrophobicContact CG2-CG 4.5Å; Y256-L350 HydrophobicContact CD1-CB 4Å; Y256-L350 HydrophobicContact CD1-CD1 4.12Å; Y256-L350 HydrophobicContact CD2-CD1 4.23Å; Y256-L350 HydrophobicContact CE1-CB 3.71Å; Y256-L350 HydrophobicContact CE1-CD1 3.67Å; Y256-L350 HydrophobicContact CE1-CG 4.22Å; Y256-L350 HydrophobicContact CE2-CD1 3.81Å; Y256-L350 HydrophobicContact CG-CD1 4.39Å
351L92.6Very high93.3Very high105 Ų10538.8 Ų38.855%0.5525%0.246SC..EExtended strand (participates in β ladder)trans-87.9-39177.3-59.8-180000111.8F255 A257 I317 V349F255-L351 PolarHBondContact O-N 3.46Å; A257-L351 HydrophobicContact CB-CD1 4.05Å; A257-L351 HydrophobicContact CB-CD2 4.04Å; A257-L351 HydrophobicContact CB-CG 4.05Å; I317-L351 HydrophobicContact CD1-CD1 3.95Å; I317-L351 HydrophobicContact CG1-CD1 4.24Å; V349-L351 PolarHBondContact O-N 3.09Å
352G87.9Confident93.1Very high29 Ų2940.3 Ų40.330%0.29926%0.255SS..EExtended strand (participates in β ladder)trans171.7170.8-176.300000111.9G254 F255G254-G352 CarbonylContact C-O 3.57Å; G254-G352 VanDerWaalsContact CA-O 3.29Å; G254-G352 WeakPolarHBondContact CA-O 3.47Å; F255-G352 PolarHBondContact N-O 2.94Å
353V85.9Confident93Very high134 Ų13438.4 Ų38.481%0.81224%0.238SC*.  trans-104.10178.7-56.60000110.9V252 A253V252-V353 HydrophobicContact CG2-CG1 4.4Å; A253-V353 WeakPolarHBondContact O-CB 3.22Å; A253-V353 WeakPolarHBondContact O-CG1 3.49Å

Retrieved 353 of 353 residues in 84.4 ms (Link to these results)