A0A096NQJ8_PAPAN Loading...

Synaptotagmin-17

Plays a role in dendrite formation by melanocytes.

AlphaFold DB (A0A2K5M9B6), UniProt , Accession A0A096NQJ8, Species PAPAN (Papio anubis, Olive baboon), Gene SYT17, Length 474 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M37.3Very low37.9Very low243 Ų243170.2 Ų170.2100%1.19787%0.871SS**  0137.10-76.8171.4163.600107.4
2A33.6Very low38.6Very low101 Ų101159.3 Ų159.384%0.83583%0.832SS**  trans-82.7140.3-159.200000113.9
3Y29.2Very low39.6Very low231 Ų231158.5 Ų158.591%0.90682%0.818SS**  trans-82.1141.9160.5-80.1-104.6000108.9
4I37.8Very low40.3Very low158 Ų158156.1 Ų156.181%0.8181%0.807SS**  trans-105.1117.3169.5-64.2176.5000107.6
5Q31.4Very low40.8Very low185 Ų185149.6 Ų149.686%0.86478%0.78SS**PPolyproline II helixtrans-70.9139.1168.8-87.2168.6-84.700110
6L36Very low41.4Very low170 Ų170152.3 Ų152.389%0.8978%0.777SS**PPolyproline II helixtrans-91.8123162.1-72.4165.7000108
7E36.3Very low42.1Very low183 Ų183148.5 Ų148.586%0.85576%0.758SS**PPolyproline II helixtrans-73.6145.5171.8-69.3-173.914000111
8P40.4Very low42.4Very low123 Ų123143.1 Ų143.180%0.79974%0.735SS**PPolyproline II helixtrans-73.5136.3174.930.2-33.3000111.3N10P8-N10 PolarHBondContact O-N 3.46Å
9L43Very low42.6Very low174 Ų174141.3 Ų141.391%0.91173%0.727SS**PPolyproline II helixtrans-64.1131.8173.2-86.6160.4000110.9E11L9-E11 PolarHBondContact O-N 3.35Å
10N46.5Very low42.9Very low134 Ų134140.5 Ų140.572%0.71772%0.724SS**  trans-69.2114.2-167.6-150-19.1000112P8 G12 F13P8-N10 PolarHBondContact O-N 3.46Å; N10-G12 PolarHBondContact O-N 3.18Å; N10-G12 VanDerWaalsContact O-N 3.08Å; N10-F13 PolarHBondContact O-N 3.31Å
11E45.9Very low43.2Very low170 Ų170141 Ų14179%0.79473%0.727SS**Hα-helixtrans-57.4-28.5-173.8-67.2-173.4136.600113.5L9 F13 L14L9-E11 PolarHBondContact O-N 3.35Å; E11-F13 PolarHBondContact O-N 3.24Å; E11-L14 PolarHBondContact O-N 3.05Å
12G45.9Very low43.7Very low39 Ų39135.8 Ų135.840%0.40270%0.703SS.*Hα-helixtrans-66.5-11.1177.300000115.8N10 S15N10-G12 PolarHBondContact O-N 3.18Å; N10-G12 VanDerWaalsContact O-N 3.08Å; G12-S15 PolarHBondContact O-OG 3.08Å
13F50.9Low44.3Very low150 Ų150134.9 Ų134.966%0.65869%0.69SS**Hα-helixtrans-84.8-31.5174.5-163.5-97.9000112.4N10 E11 L17N10-F13 PolarHBondContact O-N 3.31Å; E11-F13 PolarHBondContact O-N 3.24Å; F13-L17 HydrophobicContact CD1-CD1 4.04Å; F13-L17 HydrophobicContact CE1-CD1 3.87Å
14L49.4Very low45.2Very low125 Ų125135.1 Ų135.165%0.65469%0.69SS**Hα-helixtrans-77.6-36.2-179.2-67.7174.6000112.3E11 R16 L17 S18E11-L14 PolarHBondContact O-N 3.05Å; L14-R16 VanDerWaalsContact C-N 3.33Å; L14-R16 PolarHBondContact O-N 2.83Å; L14-L17 PolarHBondContact O-N 3.32Å; L14-L17 VanDerWaalsContact O-N 3.14Å; L14-S18 PolarHBondContact O-N 3.22Å; L14-S18 VanDerWaalsContact O-N 3.1Å
15S48.4Very low45.8Very low58 Ų58137.1 Ų137.141%0.40669%0.687SS.*Hα-helixtrans-62.5-38.2174.756.40000112.8G12 L17 S18 D19G12-S15 PolarHBondContact O-OG 3.08Å; S15-L17 PolarHBondContact O-N 3.33Å; S15-S18 WeakPolarHBondContact CA-OG 3.49Å; S15-S18 PolarHBondContact O-N 3Å; S15-S18 PolarHBondContact O-OG 3.45Å; S15-D19 PolarHBondContact O-N 3.24Å
16R50.4Low46.5Very low193 Ų193135.7 Ų135.773%0.72869%0.691SS**Hα-helixtrans-67.1-23.7175.3-70.3-178.2174.2-166-1.7113.5L14L14-R16 VanDerWaalsContact C-N 3.33Å; L14-R16 PolarHBondContact O-N 2.83Å
17L53Low47.2Very low87 Ų87130.9 Ų130.946%0.45567%0.671SS.*Hα-helixtrans-82.1-35173.7-80.5163.7000112.3F13 L14 S15 L21F13-L17 HydrophobicContact CD1-CD1 4.04Å; F13-L17 HydrophobicContact CE1-CD1 3.87Å; L14-L17 PolarHBondContact O-N 3.32Å; L14-L17 VanDerWaalsContact O-N 3.14Å; S15-L17 PolarHBondContact O-N 3.33Å; L17-L21 WeakPolarHBondContact O-CG 3.37Å; L17-L21 PolarHBondContact O-N 3.22Å
18S47.5Very low47.7Very low51 Ų51133.5 Ų133.536%0.35767%0.673SS.*Hα-helixtrans-65-42.8176.252.30000112.4L14 S15 L20 L21 L22L14-S18 PolarHBondContact O-N 3.22Å; L14-S18 VanDerWaalsContact O-N 3.1Å; S15-S18 WeakPolarHBondContact CA-OG 3.49Å; S15-S18 PolarHBondContact O-N 3Å; S15-S18 PolarHBondContact O-OG 3.45Å; S18-L20 VanDerWaalsContact C-N 3.29Å; S18-L20 PolarHBondContact O-N 3.29Å; S18-L21 PolarHBondContact O-N 3.28Å; S18-L22 PolarHBondContact O-N 3.1Å
19D47.4Very low48Very low109 Ų109134.1 Ų134.158%0.58367%0.665SS**Hα-helixtrans-68.4-31.1-176.9-64.2-15.6000112.2S15 L22 C23S15-D19 PolarHBondContact O-N 3.24Å; D19-L22 PolarHBondContact O-N 3.33Å; D19-C23 PolarHBondContact O-N 3.17Å
20L48.5Very low48.5Very low125 Ų125128.1 Ų128.165%0.65464%0.637SS**Hα-helixtrans-74.5-29176.7-145.1147.9000112S18S18-L20 VanDerWaalsContact C-N 3.29Å; S18-L20 PolarHBondContact O-N 3.29Å
21L49.2Very low48.8Very low151 Ų151125.6 Ų125.679%0.79163%0.629SS**Hα-helixtrans-81.4-23.8174.1-70.4169.4000113.4L17 S18L17-L21 WeakPolarHBondContact O-CG 3.37Å; L17-L21 PolarHBondContact O-N 3.22Å; S18-L21 PolarHBondContact O-N 3.28Å
22L46.8Very low48.9Very low134 Ų134123.2 Ų123.270%0.70262%0.618SS**Hα-helixtrans-81.5-17.6174.5-81.7156.1000113.4S18 D19 R24S18-L22 PolarHBondContact O-N 3.1Å; D19-L22 PolarHBondContact O-N 3.33Å; L22-R24 PolarHBondContact O-N 3.16Å
23C46.6Very low49Very low83 Ų83128.3 Ų128.356%0.56163%0.629SS**  trans-77.787.4179.1-159.60000112.3D19 W25D19-C23 PolarHBondContact O-N 3.17Å; C23-W25 PolarHBondContact O-N 3.28Å
24R48.9Very low49.1Very low236 Ų236125.4 Ų125.489%0.89163%0.626SS**  trans-7631.8-168.3-131.7179.8-172.2-1601.4116.2L22L22-R24 PolarHBondContact O-N 3.16Å
25W50.3Low49Very low200 Ų200129.2 Ų129.276%0.75863%0.633SS**  trans-116.4106.3-170-79.237.7000112.5C23 C27C23-W25 PolarHBondContact O-N 3.28Å; W25-C27 VanDerWaalsContact C-N 3.3Å; W25-C27 PolarHBondContact O-N 3.13Å
26T44.3Very low48.9Very low154 Ų154132.7 Ų132.795%0.94564%0.643SS**  trans-81.958.7-173.654.60000113.9
27C51.5Low48.7Very low69 Ų69126.8 Ų126.847%0.46663%0.631SS.*  trans-142.2124.1172-176.80000112.1W25 H29 C30W25-C27 VanDerWaalsContact C-N 3.3Å; W25-C27 PolarHBondContact O-N 3.13Å; C27-H29 PolarHBondContact O-N 3.37Å; C27-H29 VanDerWaalsContact O-N 3.11Å; C27-C30 PolarHBondContact O-N 3.14Å
28R47.1Very low48.1Very low238 Ų238127.6 Ų127.690%0.89864%0.644SS**Hα-helixtrans-55-31178.5-78-170.3175.9-155.7-0113.2C30 C31R28-C30 VanDerWaalsContact C-N 3.32Å; R28-C30 PolarHBondContact O-N 3.01Å; R28-C31 PolarHBondContact O-N 3.08Å
29H47.2Very low47.7Very low137 Ų137130.9 Ų130.963%0.63467%0.666SS**Hα-helixtrans-72.6-22.1-175.2-14570.4000113.6C27C27-H29 PolarHBondContact O-N 3.37Å; C27-H29 VanDerWaalsContact O-N 3.11Å
30C53.1Low47.2Very low48 Ų48131.3 Ų131.332%0.32468%0.676SS.*Hα-helixtrans-79.6-36.6174.3-660000112C27 R28 Q32 K33 C34C27-C30 PolarHBondContact O-N 3.14Å; R28-C30 VanDerWaalsContact C-N 3.32Å; R28-C30 PolarHBondContact O-N 3.01Å; C30-Q32 VanDerWaalsContact C-N 3.33Å; C30-Q32 PolarHBondContact O-N 3.41Å; C30-K33 PolarHBondContact O-N 3.43Å; C30-C34 PolarHBondContact O-N 3.19Å; C30-C34 VanDerWaalsContact O-N 3.16Å
31C52.4Low46.4Very low80 Ų80133.9 Ų133.954%0.54168%0.684SS.*Hα-helixtrans-62.3-40.1-178.8-165.90000112.1R28 C34 Y35R28-C31 PolarHBondContact O-N 3.08Å; C31-C34 PolarHBondContact O-N 3.34Å; C31-Y35 PolarHBondContact O-N 3.5Å; C31-Y35 VanDerWaalsContact O-N 3.13Å
32Q48Very low45.9Very low120 Ų120132.7 Ų132.756%0.56169%0.689SS**Hα-helixtrans-66.7-39.2179.1-168.8166.9-9.500112.8C30 Y35 E36C30-Q32 VanDerWaalsContact C-N 3.33Å; C30-Q32 PolarHBondContact O-N 3.41Å; Q32-Y35 PolarHBondContact O-N 3.25Å; Q32-E36 PolarHBondContact O-N 3.31Å
33K48.7Very low45.2Very low147 Ų147131 Ų13164%0.63969%0.689SS**Hα-helixtrans-65.9-42174.7-84.4-173.2171.4-177.40113C30 Y35 E36 S37C30-K33 PolarHBondContact O-N 3.43Å; K33-Y35 PolarHBondContact O-N 3.39Å; K33-E36 PolarHBondContact O-N 3.5Å; K33-S37 PolarHBondContact O-N 3.16Å; K33-S37 VanDerWaalsContact O-N 3.16Å; K33-S37 PolarHBondContact O-OG 3.41Å
34C51.7Low44.8Very low89 Ų89136.4 Ų136.460%0.60171%0.705SS**Hα-helixtrans-66.2-23.7176.1-66.20000113.1C30 C31C30-C34 PolarHBondContact O-N 3.19Å; C30-C34 VanDerWaalsContact O-N 3.16Å; C31-C34 PolarHBondContact O-N 3.34Å
35Y47.5Very low44Very low205 Ų205132.5 Ų132.580%0.80470%0.702SS**Hα-helixtrans-77.9-32.9175.6-169-98.6000112.7C31 Q32 K33C31-Y35 PolarHBondContact O-N 3.5Å; C31-Y35 VanDerWaalsContact O-N 3.13Å; Q32-Y35 PolarHBondContact O-N 3.25Å; K33-Y35 PolarHBondContact O-N 3.39Å
36E47.5Very low43.2Very low131 Ų131132.2 Ų132.261%0.61271%0.709SS**Hα-helixtrans-81.5-31.1-180-71.6169.2-17500112.8Q32 K33 S38Q32-E36 PolarHBondContact O-N 3.31Å; K33-E36 PolarHBondContact O-N 3.5Å; E36-S38 PolarHBondContact O-N 3.14Å
37S46.2Very low42.7Very low68 Ų68131.7 Ų131.748%0.47671%0.706SS.*SBendtrans-83.392.4175.359.80000112.2K33 C39K33-S37 PolarHBondContact O-N 3.16Å; K33-S37 VanDerWaalsContact O-N 3.16Å; K33-S37 PolarHBondContact O-OG 3.41Å; S37-C39 PolarHBondContact O-N 3.11Å
38S40.6Very low41.8Very low104 Ų104137.4 Ų137.473%0.72773%0.726SS**  trans-68.292179.9-67.70000113.2E36 C40E36-S38 PolarHBondContact O-N 3.14Å; S38-C40 VanDerWaalsContact C-N 3.26Å; S38-C40 PolarHBondContact O-N 3.41Å
39C37.6Very low41.2Very low120 Ų120134 Ų13481%0.81172%0.723SS**  trans-81.311177.1-70.30000115.5S37S37-C39 PolarHBondContact O-N 3.11Å
40C37.8Very low40.6Very low118 Ų118135.7 Ų135.780%0.79774%0.736SS**  trans-136.885.8-179.6-59.90000111.5S38S38-C40 VanDerWaalsContact C-N 3.26Å; S38-C40 PolarHBondContact O-N 3.41Å
41Q30.8Very low39.6Very low179 Ų179136.5 Ų136.584%0.83675%0.753SS**  trans-121.8125.7154.3-79.3-170.6-17.800109
42S38.9Very low39.3Very low126 Ų126138 Ų13888%0.88176%0.762SS**  trans-92.2114.8169.351.40000108.7
43S31.5Very low38.5Very low100 Ų100141.6 Ų141.670%0.69978%0.776SS**  trans-134110166.155.10000108.3
44E38.4Very low38.2Very low195 Ų195140 Ų14091%0.91178%0.781SS**  trans-67.1122.9158.8-62.7171.7120.400107.1
45D33.2Very low37.5Very low154 Ų154139.9 Ų139.982%0.82479%0.786SS**  trans-153.3133.1160.7-97.6-39.6000108.2
46E33.4Very low36.8Very low194 Ų194139.1 Ų139.191%0.90779%0.79SS**  trans-73.4144.6-177.6-61.3-179.6124.100111.5
47V34.3Very low36.5Very low143 Ų143138.3 Ų138.387%0.86779%0.793SS**  trans-134130.7164.9-1740000109.9
48E31Very low36.3Very low190 Ų190138.9 Ų138.989%0.88880%0.796SS**  trans-68.4155.7-166.3-62.7175.6117.900115.3
49I36Very low36.1Very low165 Ų165140.3 Ų140.385%0.84680%0.802SS**  trans-82.4122.4175.4-60.4169.2000110.2
50L33.6Very low36.6Very low173 Ų173144.7 Ų144.791%0.90680%0.802SS**  trans-132.6137.2156.8-75.3177.6000111.6
51G32Very low36.7Very low66 Ų66144.8 Ų144.868%0.6879%0.794SS**  trans-87.6-156.9-178.600000114.4
52P45.7Very low37Very low111 Ų111144.6 Ų144.672%0.72180%0.795SS**  -125.9165.7-105.640.3-30.2000116.6
53F31.3Very low36.8Very low195 Ų195143.7 Ų143.786%0.85580%0.795SS**  trans71161.7164.3-73.6-64.8000117.2
54P42.9Very low36.9Very low115 Ų115144 Ų14475%0.74780%0.798SS**  cis-126.2163.91439.8-23.8000117.8
55A36.4Very low36.6Very low85 Ų85146.1 Ų146.170%0.70280%0.797SS**  trans-73.6151.5168.100000111.8
56Q34.6Very low36.5Very low190 Ų190143.8 Ų143.889%0.88879%0.793SS**  trans-116.2129.1168.1-65.6-159.913.700111.4
57T41.2Very low36.4Very low113 Ų113139.2 Ų139.269%0.69378%0.782SS**  trans-99131.1177.1-46.30000109.4
58P40.3Very low36.2Very low81 Ų81139.8 Ų139.853%0.52678%0.78SS.*  trans-64.7151.4-176.2-25.435.5000115W60P58-W60 VanDerWaalsContact C-N 3.33Å; P58-W60 PolarHBondContact O-N 3.39Å; P58-W60 VanDerWaalsContact O-N 3.08Å
59P37.1Very low36.3Very low133 Ų133138.7 Ų138.786%0.86477%0.773SS**THydrogen-bonded Turntrans-80.16.2-157.8-17.333.9000117.5
60W48.7Very low36Very low213 Ų213137.2 Ų137.281%0.80777%0.766SS**THydrogen-bonded Turntrans-93.20.5-176.160.9-91.4000114.3P58P58-W60 VanDerWaalsContact C-N 3.33Å; P58-W60 PolarHBondContact O-N 3.39Å; P58-W60 VanDerWaalsContact O-N 3.08Å
61L40.2Very low35.8Very low119 Ų119132.3 Ų132.362%0.62376%0.758SS**SBendtrans-92.48.4-176-144.591.8000115
62M37.2Very low35.8Very low176 Ų176136.9 Ų136.987%0.86777%0.767SS**  trans-138.382.7-174.6-70.4-70.3-77.800113.4
63A33.9Very low35.3Very low106 Ų106136.5 Ų136.588%0.87677%0.767SS**  trans-167.4135148.800000111
64S32.8Very low35.4Very low108 Ų108132.4 Ų132.476%0.75576%0.758SS**  trans-151149.8167.669.70000110.5
65R33.7Very low34.9Very low239 Ų239135.1 Ų135.190%0.90276%0.76SS**  trans72146.2177.3-62178.2168.7-176.4-4.9115.4
66S30.4Very low34.6Very low105 Ų105137.4 Ų137.473%0.73477%0.765SS**  cis-171-179.3-8.744.90000111.3
67S30.4Very low34.5Very low97 Ų97132.5 Ų132.568%0.67876%0.757SS**  trans83.4103158.370.70000121.9
68D31.5Very low34.1Very low155 Ų155131.6 Ų131.683%0.82976%0.755SS**  65.1124.4116.8-56.1-16.9000125.3
69K32.6Very low33.6Very low167 Ų167135.9 Ų135.973%0.72677%0.768SS**  98.9135.2125.3-100.3-179.3147.8-72.90123.9
70D29.9Very low33.5Very low134 Ų134135.2 Ų135.272%0.71776%0.762SS**  trans75128.9147.1-59.2-28.2000122.9
71G29.2Very low33.5Very low70 Ų70130.5 Ų130.572%0.72276%0.759SS**  trans128.294137.900000119.6
72D31.6Very low33.2Very low162 Ų162132.8 Ų132.887%0.86677%0.77SS**  trans18.4151.7134.5-60.8-20.2000121.2
73S34.4Very low33.1Very low103 Ų103130.6 Ų130.672%0.7277%0.767SS**  cis-167.7173.21.339.10000107.6
74V33.5Very low33.6Very low110 Ų110131.7 Ų131.767%0.66777%0.766SS**  171.8136.578.71690000109.8
75H33.3Very low33.4Very low172 Ų172137.6 Ų137.680%0.79677%0.771SS**  trans46.2147.2158.1-55.3-34.7000122
76T30.9Very low33.1Very low132 Ų132131.7 Ų131.781%0.8176%0.762SS**  cis-151.814837-48.80000114.1
77A31.8Very low32.9Very low88 Ų88134 Ų13473%0.72777%0.766SS**  trans-28.2162164.200000118
78S32.6Very low32.9Very low93 Ų93135 Ų13565%0.6577%0.773SS**  cis-170.9-179.73.4-122.20000109.2
79E29.1Very low33.8Very low171 Ų171132.9 Ų132.980%0.79977%0.768SS**  cis-155.7-173.6-0.2-140.3145.5-91.400111.1
80V36.4Very low33.8Very low120 Ų120132.8 Ų132.873%0.72778%0.775SS**  trans-142160.9165.7-158.10000108
81P49Very low33.8Very low114 Ų114129.9 Ų129.974%0.7478%0.777SS**  -146.4131113.327-6.8000114.3
82L32.4Very low34Very low166 Ų166137.6 Ų137.687%0.86978%0.784SS**  77.9143.792-66.9171.5000117.2
83T35.6Very low34.1Very low130 Ų130141.2 Ų141.280%0.79879%0.786SS**  trans-90.6169.6-179.454.40000112.6
84P45.1Very low33.9Very low130 Ų130141 Ų14184%0.84478%0.784SS**  -148.2-166.4112.836.7-18.1000115.8
85R28.6Very low34.1Very low231 Ų231140.6 Ų140.687%0.87279%0.786SS**  trans-97.2168.9-159.6-63.6166.9154.6-176-7116.3
86T27.3Very low34.4Very low116 Ų116137.1 Ų137.171%0.71278%0.781SS**  trans115.6143.4136.7680000121
87N26.6Very low34.5Very low154 Ų154137.4 Ų137.482%0.82478%0.778SS**  trans85.1124152.7-62.5-13.8000122.7
88S30.3Very low34.7Very low116 Ų116139.2 Ų139.281%0.81178%0.78SS**  trans-84.4-179.7167.1-28.40000111.2
89P49.1Very low34.7Very low111 Ų111139 Ų13972%0.72178%0.778SS**  -151.1-170.454.942.2-19.7000118.3
90D32.8Very low35Very low165 Ų165140.5 Ų140.588%0.88278%0.782SS**  trans76.6136.1161.8-67.8-29.8000121.8
91G29.4Very low34.8Very low73 Ų73139.1 Ų139.175%0.75378%0.778SS**  trans-178-37.3179.200000119.3
92R33.9Very low34Very low233 Ų233139.1 Ų139.188%0.87978%0.776SS**  trans73.8126.3176.4-53.6178.1177.6-176.9-0119.3
93R34Very low34.1Very low238 Ų238141.4 Ų141.490%0.89878%0.775SS**  53138.9126.5-57-179-178.4-163.7-1.2119.3
94S29.8Very low34.1Very low99 Ų99139 Ų13969%0.69276%0.764SS**  cis-144.3136.226.9-121.80000110.8
95S37.7Very low33.4Very low101 Ų101140.1 Ų140.171%0.70676%0.761SS**  50.1133.492.582.10000115.1
96S39.5Very low33.5Very low98 Ų98134.6 Ų134.669%0.68575%0.754SS**  cis-158.3140.517.748.20000113
97D34Very low33.8Very low139 Ų139138.5 Ų138.574%0.74376%0.755SS**  32.1136.6127.4-55.6-56.9000120
98T34.7Very low34.1Very low126 Ų126140.8 Ų140.877%0.77375%0.752SS**  -155.6135.658.730.60000115.1
99S33.4Very low34.2Very low88 Ų88143 Ų14362%0.61575%0.753SS**  55.9116.7125.4-58.10000120.6
100K35.4Very low33.3Very low202 Ų202142.6 Ų142.688%0.87875%0.753SS**  65.514488.8-68.9174.2-177.9178.10113.6
101S31.5Very low33.2Very low92 Ų92139.6 Ų139.664%0.64375%0.745SS**  cis-172.8135.71.4148.80000109.6
102T33.4Very low33.2Very low114 Ų114143.3 Ų143.370%0.69975%0.747SS**  40.7149.8126.2-10.90000123.3
103Y33Very low33Very low213 Ų213139.9 Ų139.984%0.83574%0.741SS**  trans78150.4171.8-78.4-112.4000117.6
104S35.7Very low32.8Very low81 Ų81132.9 Ų132.957%0.56673%0.728SS**  cis-177.4151.8-29.760.50000111.6
105L31.5Very low32.9Very low152 Ų152139.5 Ų139.580%0.79674%0.738SS**  trans61.8111.9145.2-68.3166.6000122.6
106T31.5Very low32.8Very low116 Ų116146.4 Ų146.471%0.71275%0.749SS**  trans30.5133.6132.3560000122.6
107R32.9Very low32.9Very low198 Ų198147.4 Ų147.475%0.74775%0.753SS**  159.4141.899.1178.7174.1-78.1-1430.1115.7
108R32.2Very low33Very low202 Ų202146 Ų14676%0.76275%0.754SS**  trans75.3102.5155.6-84.3168.1-172.3177.6-1.9123.4
109I32.3Very low33Very low162 Ų162145.2 Ų145.283%0.83175%0.754SS**  15.9122.8114.3-47.4169000119.2
110S30.3Very low33.3Very low102 Ų102147 Ų14771%0.71376%0.763SS**  179.4127.7120.955.60000114.5
111S30.4Very low33.3Very low103 Ų103145.6 Ų145.672%0.7276%0.764SS**  trans27.1140.6144.151.40000121.6
112L30.9Very low33.7Very low150 Ų150148.8 Ų148.879%0.78577%0.773SS**  cis-158.2171.320.2-98.7139.7000110.2
113E29.2Very low33.8Very low161 Ų161149.7 Ų149.775%0.75277%0.773SS**  trans40129.9161.2-101.546.5-140.100120.3
114S29.3Very low34.3Very low91 Ų91146.6 Ų146.664%0.63677%0.77SS**  cis-173.5175.13154.20000111.8
115R32.5Very low34.5Very low239 Ų239150.9 Ų150.990%0.90278%0.778SS**  trans83.2106.2167.5-53.8-179.2-174-128-1.5118.3
116R35.6Very low34.8Very low245 Ų245149.3 Ų149.393%0.92578%0.777SS**  trans-95.1152.8151.8-70.9178.7176.7164.4-1.4109.6
117P41.1Very low35.4Very low119 Ų119151.2 Ų151.277%0.77378%0.781SS**  -131164.3114.57.514.7000110.1
118S36Very low35.8Very low111 Ų111150.6 Ų150.678%0.77679%0.787SS**  cis169.6114.3-18.649.30000104.6
119S34.6Very low36Very low108 Ų108150.7 Ų150.776%0.75579%0.793SS**  trans-82.3151.3174.448.60000111.1
120P39.5Very low36.2Very low127 Ų127146.9 Ų146.983%0.82579%0.794SS**  trans-71.4140.8-17629.4-34.7000112.3
121L36.2Very low36.6Very low171 Ų171148.2 Ų148.290%0.89580%0.797SS**  trans-105.5139.7167.9-73.9166.3000108.8
122I40.7Very low36.9Very low160 Ų160151.8 Ų151.882%0.82181%0.807SS**  trans-92.2120.4169.7-64.7174.3000107.4
123D34.8Very low37Very low132 Ų132149.9 Ų149.971%0.70681%0.807SS**  trans-82.7126.8179.2-177.128.7000110.7
124I43Very low37.7Very low149 Ų149146.2 Ų146.276%0.76480%0.803SS**  trans-111.1103.8176.8-58.1174.8000107.4
125K40.3Very low38Very low171 Ų171152.2 Ų152.274%0.74382%0.818SS**PPolyproline II helixtrans-68.2133.3175.4-70.8-174.3175.4-177.50111
126P36.7Very low38.6Very low118 Ų118150.7 Ų150.777%0.76682%0.818SS**PPolyproline II helixtrans-71.9149.4172.730.9-34.2000111
127I45.6Very low38.6Very low156 Ų156147.6 Ų147.680%0.881%0.814SS**PPolyproline II helixtrans-90.2124.7173.5-61.8174.4000108.4
128E41.4Very low38.3Very low186 Ų186147.7 Ų147.787%0.86982%0.815SS**PPolyproline II helixtrans-77138.5179-63.8-177.215200111.9
129F36.2Very low38.3Very low204 Ų204150.1 Ų150.190%0.89582%0.817SS**  trans-91.5107.6175.5-83.7-95.5000111.1
130G36.6Very low38.8Very low82 Ų82153.2 Ų153.285%0.84582%0.82SS**  trans-80.4120.6168.500000111.9
131V37.2Very low38.6Very low130 Ų130152.8 Ų152.879%0.78882%0.817SS**  trans-94.5121.1177.6176.90000110.6
132L37.2Very low38.7Very low177 Ų177150.1 Ų150.193%0.92781%0.813SS**  trans-138.7149.3153.1-79.9-177.3000110.6
133S33.9Very low38.5Very low111 Ų111148.6 Ų148.678%0.77681%0.81SS**  trans-106.8139.9-153.1-165.10000114.9
134A42.9Very low38.6Very low83 Ų83150.1 Ų150.169%0.68682%0.818SS**  trans44.7113.6148.400000121
135K36.1Very low38.4Very low217 Ų217154.1 Ų154.194%0.94382%0.823SS**  -159.8155.5112.4-102.2159.1-171.1-179.50111.1
136K44Very low38.3Very low208 Ų208155.8 Ų155.890%0.90483%0.825SS**  trans-85.4140.4-168.1-64.1173.6175.11780112.7
137E36Very low38.1Very low180 Ų180156.8 Ų156.884%0.84183%0.829SS**  trans-163.2141.7136.6-115.6172.5-177.200110.7I139E137-I139 PolarHBondContact O-N 3.44Å
138P35.1Very low37.6Very low120 Ų120158.3 Ų158.378%0.77983%0.826SS**  trans-85.7106-178.932.3-31.7000111.6Q140P138-Q140 PolarHBondContact O-N 3.04Å; P138-Q140 VanDerWaalsContact O-N 3.14Å
139I36.9Very low37.7Very low162 Ų162153.9 Ų153.983%0.83181%0.812SS**  trans-77.298.8172.7-56.8174.3000109.1E137E137-I139 PolarHBondContact O-N 3.44Å
140Q44.7Very low38.1Very low173 Ų173150 Ų15081%0.80881%0.808SS**  trans-68.4140.1159.5-78.6-172.5-30.500109.5P138 S142P138-Q140 PolarHBondContact O-N 3.04Å; P138-Q140 VanDerWaalsContact O-N 3.14Å; Q140-S142 PolarHBondContact O-N 3.42Å
141P35.9Very low38.4Very low118 Ų118153.2 Ų153.277%0.76681%0.805SS**  trans-65.7125.2168.727.6-32.5000109.7V143P141-V143 PolarHBondContact O-N 3.18Å; P141-V143 VanDerWaalsContact O-N 3.1Å
142S37Very low38.5Very low115 Ų115152.1 Ų152.180%0.80480%0.795SS**  trans-70.4104-179.741.80000111.2Q140 L144Q140-S142 PolarHBondContact O-N 3.42Å; S142-L144 PolarHBondContact O-N 3.43Å
143V37.6Very low38.9Very low128 Ų128153.1 Ų153.178%0.77679%0.788SS**  trans-65.6106.5166.4179.40000108.1P141 R145P141-V143 PolarHBondContact O-N 3.18Å; P141-V143 VanDerWaalsContact O-N 3.1Å; V143-R145 VanDerWaalsContact C-N 3.26Å; V143-R145 PolarHBondContact O-N 3.11Å
144L37.2Very low39.5Very low165 Ų165155.9 Ų155.986%0.86479%0.786SS**  trans-61.986.4168.9-96.8158.9000109.6S142 R146S142-L144 PolarHBondContact O-N 3.43Å; L144-R146 VanDerWaalsContact C-N 3.26Å; L144-R146 PolarHBondContact O-N 3.34Å
145R37.8Very low39.8Very low232 Ų232163 Ų16388%0.87580%0.795SS**  trans-6788166.4-86.3-172.3171.6178.4-1.6109V143 T147V143-R145 VanDerWaalsContact C-N 3.26Å; V143-R145 PolarHBondContact O-N 3.11Å; R145-T147 PolarHBondContact O-N 2.98Å
146R37.5Very low40.4Very low207 Ų207160.4 Ų160.478%0.78178%0.784SS**  trans-69.7114.6163.1-160170.4-1701511.3107.4L144 Y148L144-R146 VanDerWaalsContact C-N 3.26Å; L144-R146 PolarHBondContact O-N 3.34Å; R146-Y148 HydrophobicContact CB-CE2 4.42Å; R146-Y148 VanDerWaalsContact O-CD2 3.29Å; R146-Y148 WeakPolarHBondContact O-CD2 3.46Å; R146-Y148 PolarHBondContact O-N 3.42Å
147T33.1Very low40.2Very low139 Ų139157.2 Ų157.285%0.85377%0.77SS**PPolyproline II helixtrans-67.6118.6172.924.90000109.1R145R145-T147 PolarHBondContact O-N 2.98Å
148Y34.8Very low40.7Very low187 Ų187152 Ų15273%0.73375%0.746SS**PPolyproline II helixtrans-89.8128.5173.4-75.8-92.6000109.9R146R146-Y148 HydrophobicContact CB-CE2 4.42Å; R146-Y148 VanDerWaalsContact O-CD2 3.29Å; R146-Y148 WeakPolarHBondContact O-CD2 3.46Å; R146-Y148 PolarHBondContact O-N 3.42Å
149T44.8Very low41Very low94 Ų94151.4 Ų151.458%0.57774%0.742SS**PPolyproline II helixtrans-79.7145.2165.838.60000110.1D151T149-D151 PolarHBondContact O-N 3.36Å
150P43.6Very low41.3Very low123 Ų123150 Ų15080%0.79973%0.732SS**G310 helixtrans-61.5-17.2-171.7-27.637000117.2
151D42.6Very low41Very low149 Ų149147.7 Ų147.780%0.79772%0.724SS**G310 helixtrans-82.1-9.9-174.2-68-66.3000115.6T149 Y153T149-D151 PolarHBondContact O-N 3.36Å; D151-Y153 VanDerWaalsContact C-N 3.28Å; D151-Y153 PolarHBondContact O-N 2.98Å
152D40.8Very low41.4Very low106 Ų106150.4 Ų150.457%0.56772%0.72SS**G310 helixtrans-78.3-4.4-175.9-95.7-32.4000114.7F154D152-F154 VanDerWaalsContact C-N 3.25Å; D152-F154 PolarHBondContact O-N 2.94Å
153Y45.3Very low41.3Very low199 Ų199148.7 Ų148.778%0.7871%0.708SS**G310 helixtrans-68.9-17-171.1-157-98.4000114.7D151D151-Y153 VanDerWaalsContact C-N 3.28Å; D151-Y153 PolarHBondContact O-N 2.98Å
154F45.3Very low41.3Very low169 Ų169149.3 Ų149.374%0.74171%0.706SS**G310 helixtrans-113.23.4-170.4-86.2-83.6000116.3D152D152-F154 VanDerWaalsContact C-N 3.25Å; D152-F154 PolarHBondContact O-N 2.94Å
155R50.2Low41Very low232 Ų232148.5 Ų148.588%0.87570%0.703SS**SBendtrans-118.621.8-173.9-78.3-141.3178.6-144.42.3117.1
156K48.8Very low41Very low163 Ų163141.6 Ų141.671%0.70969%0.69SS**  trans-131.239.2170.2-117.2-175.2-176.6-1010116.1E158K156-E158 IonicContact NZ-OE1 3.46Å; K156-E158 PolarHBondContact NZ-OE1 3.14Å; K156-E158 PolarHBondContact O-N 3.27Å
157F39.4Very low41.1Very low140 Ų140135.7 Ų135.761%0.61468%0.681SS**  trans-75.997.6147.6-69.8-77.6000107.8P159 Y162F157-P159 WeakPolarHBondContact O-CD 3.33Å; F157-Y162 HydrophobicContact CD1-CE2 4.1Å
158E45.9Very low41.6Very low72 Ų72132.4 Ų132.434%0.33666%0.663SS.*  trans-68.6105.3168.4-85169.6-162.500108.1K156 H160 L161K156-E158 IonicContact NZ-OE1 3.46Å; K156-E158 PolarHBondContact NZ-OE1 3.14Å; K156-E158 PolarHBondContact O-N 3.27Å; E158-H160 PolarHBondContact O-N 3.1Å; E158-H160 VanDerWaalsContact O-N 3.1Å; E158-H160 IonicContact OE2-CE1 3.12Å; E158-H160 PolarHBondContact OE2-CE1 3.36Å; E158-L161 HydrophobicContact CB-CD1 4.32Å; E158-L161 HydrophobicContact CB-CG 4.36Å; E158-L161 PolarHBondContact O-N 2.95Å
159P42.4Very low41.9Very low107 Ų107129 Ų12970%0.69566%0.658SS**G310 helixtrans-64.8-25.8-166.3-22.235.6000112.3F157 L161 Y162 S163F157-P159 WeakPolarHBondContact O-CD 3.33Å; P159-L161 VanDerWaalsContact C-N 3.26Å; P159-L161 PolarHBondContact O-N 2.9Å; P159-Y162 CarbonylContact O-C 3.53Å; P159-Y162 PolarHBondContact O-N 3.01Å; P159-Y162 VanDerWaalsContact O-N 3.15Å; P159-S163 PolarHBondContact O-N 3.27Å
160H42.3Very low42.2Very low133 Ų133128.4 Ų128.462%0.61665%0.651SS**G310 helixtrans-67.9-16.9176.562.926.9000114.8E158E158-H160 PolarHBondContact O-N 3.1Å; E158-H160 VanDerWaalsContact O-N 3.1Å; E158-H160 IonicContact OE2-CE1 3.12Å; E158-H160 PolarHBondContact OE2-CE1 3.36Å
161L39.5Very low42.9Very low124 Ų124124.1 Ų124.165%0.64962%0.623SS**G310 helixtrans-86.4-11.9173.8-66.6-179.2000112.7E158 P159E158-L161 HydrophobicContact CB-CD1 4.32Å; E158-L161 HydrophobicContact CB-CG 4.36Å; E158-L161 PolarHBondContact O-N 2.95Å; P159-L161 VanDerWaalsContact C-N 3.26Å; P159-L161 PolarHBondContact O-N 2.9Å
162Y42.7Very low43.6Very low175 Ų175124 Ų12469%0.68662%0.622SS**THydrogen-bonded Turntrans-117.82.1175.1-63.9-85.5000112.3F157 P159 L164F157-Y162 HydrophobicContact CD1-CE2 4.1Å; P159-Y162 CarbonylContact O-C 3.53Å; P159-Y162 PolarHBondContact O-N 3.01Å; P159-Y162 VanDerWaalsContact O-N 3.15Å; Y162-L164 PolarHBondContact O-N 3.14Å; Y162-L164 VanDerWaalsContact O-N 3.08Å
163S35.1Very low44.8Very low78 Ų78124 Ų12455%0.54563%0.63SS.*  trans-67.4105.4165.7-171.70000106.8P159P159-S163 PolarHBondContact O-N 3.27Å
164L37.4Very low46.1Very low141 Ų141116.9 Ų116.974%0.73861%0.606SS**  trans-50142.5154.6-66.7162.6000107.6Y162 S166Y162-L164 PolarHBondContact O-N 3.14Å; Y162-L164 VanDerWaalsContact O-N 3.08Å; L164-S166 PolarHBondContact O-N 3.21Å
165D31.6Very low47.9Very low148 Ų148112.3 Ų112.379%0.79159%0.592SS**  trans-60.8100.5176.8-78.2-52.9000109.5S167D165-S167 PolarHBondContact O-N 2.77Å; D165-S167 PolarHBondContact O-OG 3.36Å
166S38.9Very low49.4Very low87 Ų87104 Ų10461%0.60856%0.564SS**THydrogen-bonded Turntrans-7175.8-175.2-142.50000110.9L164 D170L164-S166 PolarHBondContact O-N 3.21Å; S166-D170 PolarHBondContact OG-OD2 3.29Å
167S39.3Very low50.9Low84 Ų84104 Ų10459%0.58757%0.567SS**THydrogen-bonded Turntrans-138-11.4179.4610000112.8D165D165-S167 PolarHBondContact O-N 2.77Å; D165-S167 PolarHBondContact O-OG 3.36Å
168S42.3Very low52.6Low69 Ų69101.7 Ų101.748%0.48356%0.558SS.*SBendtrans-98.6-48.7177.5169.40000112.4
169D41.4Very low54.1Low117 Ų11799 Ų9963%0.62655%0.546SS*.THydrogen-bonded Turntrans-94.8-7.6-155.4-59.3-10.6000114.1
170D52.2Low55.7Low80 Ų8096.5 Ų96.543%0.42853%0.526SS..THydrogen-bonded Turntrans-87-5.5179.7-64.6-61.9000113.9S166 D172 S173S166-D170 PolarHBondContact OG-OD2 3.29Å; D170-D172 PolarHBondContact O-N 3.46Å; D170-S173 PolarHBondContact O-N 3.27Å
171V57.2Low56.9Low33 Ų3394.1 Ų94.120%0.253%0.525CS..G310 helixtrans-67.5-32.3-173.5-62.70000113.9S173 L174V171-S173 PolarHBondContact O-N 3.33Å; V171-L174 PolarHBondContact O-N 3.19Å
172D58.6Low58.4Low148 Ų14893.6 Ų93.679%0.79152%0.517SS*.G310 helixtrans-75-10.1-179-74.5-17.3000113D170D170-D172 PolarHBondContact O-N 3.46Å
173S64.3Low59.9Low105 Ų10588 Ų8873%0.73450%0.495SS*.G310 helixtrans-98-6.3176.9-62.70000114D170 V171D170-S173 PolarHBondContact O-N 3.27Å; V171-S173 PolarHBondContact O-N 3.33Å
174L73.3Confident62Low50 Ų5091.2 Ų91.226%0.26250%0.502SS..SBendtrans-85.9142.8-178.4-62.8176.2000111.7V171 E178 I179 K182V171-L174 PolarHBondContact O-N 3.19Å; L174-E178 HydrophobicContact CB-CB 4.29Å; L174-E178 HydrophobicContact CD2-CB 4.31Å; L174-I179 HydrophobicContact CB-CD1 4.22Å; L174-I179 HydrophobicContact CB-CG1 3.72Å; L174-I179 HydrophobicContact CD1-CG1 4.4Å; L174-K182 HydrophobicContact CD1-CD 4.07Å
175T83.4Confident64.3Low73 Ų7386 Ų8645%0.44847%0.474SS..  trans-71.2156.5169.661.70000111.5E177 E178 I179T175-E177 PolarHBondContact O-N 3.05Å; T175-E177 VanDerWaalsContact O-N 3.14Å; T175-E178 WeakPolarHBondContact CB-OE2 3.41Å; T175-E178 WeakPolarHBondContact CG2-OE2 3.12Å; T175-E178 PolarHBondContact N-OE2 3.33Å; T175-E178 PolarHBondContact O-N 3.29Å; T175-E178 VanDerWaalsContact O-N 3.11Å; T175-E178 VanDerWaalsContact OG1-CD 3.3Å; T175-E178 WeakPolarHBondContact OG1-CG 3.35Å; T175-E178 PolarHBondContact OG1-N 3.1Å; T175-E178 PolarHBondContact OG1-OE2 3.42Å; T175-I179 WeakPolarHBondContact O-CG1 3.38Å; T175-I179 PolarHBondContact O-N 3.47Å
176D80.9Confident67Low57 Ų5779.1 Ų79.131%0.30544%0.438SS..Hα-helixtrans-55.8-31175.9-73.3-70.5000112.7L180 M187 K310 A311D176-L180 WeakPolarHBondContact O-CB 3.4Å; D176-L180 VanDerWaalsContact O-CG 3.24Å; D176-L180 WeakPolarHBondContact O-CG 3.4Å; D176-L180 PolarHBondContact O-N 2.59Å; D176-M187 HydrophobicContact CB-CE 4.36Å; D176-K310 WeakPolarHBondContact OD1-CA 3.31Å; D176-A311 HydrophobicContact CB-CB 4.06Å; D176-A311 WeakPolarHBondContact O-CB 3.48Å; D176-A311 WeakPolarHBondContact OD1-CB 3.39Å; D176-A311 PolarHBondContact OD1-N 3.29Å
177E80.5Confident69.7Low163 Ų16375.6 Ų75.676%0.76241%0.412SS*.Hα-helixtrans-69.8-43.7177.2-62.6-178.7174.700112T175 L180 S181T175-E177 PolarHBondContact O-N 3.05Å; T175-E177 VanDerWaalsContact O-N 3.14Å; E177-L180 PolarHBondContact O-N 3.32Å; E177-S181 PolarHBondContact O-N 2.81Å
178E75.2Confident72.5Confident92 Ų9271.6 Ų71.643%0.4338%0.384SS..Hα-helixtrans-65.2-44.1174.5-70.9163.6130.200111.2L174 T175 L180 S181 K182L174-E178 HydrophobicContact CB-CB 4.29Å; L174-E178 HydrophobicContact CD2-CB 4.31Å; T175-E178 WeakPolarHBondContact CB-OE2 3.41Å; T175-E178 WeakPolarHBondContact CG2-OE2 3.12Å; T175-E178 PolarHBondContact N-OE2 3.33Å; T175-E178 PolarHBondContact O-N 3.29Å; T175-E178 VanDerWaalsContact O-N 3.11Å; T175-E178 VanDerWaalsContact OG1-CD 3.3Å; T175-E178 WeakPolarHBondContact OG1-CG 3.35Å; T175-E178 PolarHBondContact OG1-N 3.1Å; T175-E178 PolarHBondContact OG1-OE2 3.42Å; E178-L180 VanDerWaalsContact C-N 3.33Å; E178-L180 PolarHBondContact O-N 2.85Å; E178-S181 PolarHBondContact O-N 3.42Å; E178-S181 PolarHBondContact O-OG 3.48Å; E178-K182 VanDerWaalsContact O-CB 3.28Å; E178-K182 WeakPolarHBondContact O-CB 3.46Å; E178-K182 PolarHBondContact O-N 2.95Å
179I76.7Confident75.1Confident14 Ų1469.2 Ų69.27%0.07237%0.366CS..Hα-helixtrans-58.1-45.3176-66168.6000110.4L174 T175 K182 Y183 A311 I313L174-I179 HydrophobicContact CB-CD1 4.22Å; L174-I179 HydrophobicContact CB-CG1 3.72Å; L174-I179 HydrophobicContact CD1-CG1 4.4Å; T175-I179 WeakPolarHBondContact O-CG1 3.38Å; T175-I179 PolarHBondContact O-N 3.47Å; I179-K182 PolarHBondContact O-N 3.16Å; I179-Y183 HydrophobicContact CG2-CD2 3.91Å; I179-Y183 WeakPolarHBondContact O-CD2 3.36Å; I179-Y183 PolarHBondContact O-N 2.84Å; I179-A311 HydrophobicContact CB-CB 3.84Å; I179-A311 HydrophobicContact CG2-CB 3.51Å; I179-I313 HydrophobicContact CD1-CG2 4.03Å; I179-I313 HydrophobicContact CG1-CG2 4.5Å; I179-I313 HydrophobicContact CG2-CG2 3.87Å
180L76.7Confident77.8Confident55 Ų5563.7 Ų63.729%0.28834%0.336SS..Hα-helixtrans-61-45.7175.9-78.7167.8000112.4D176 E177 E178 K182 Q184 M187 A311D176-L180 WeakPolarHBondContact O-CB 3.4Å; D176-L180 VanDerWaalsContact O-CG 3.24Å; D176-L180 WeakPolarHBondContact O-CG 3.4Å; D176-L180 PolarHBondContact O-N 2.59Å; E177-L180 PolarHBondContact O-N 3.32Å; E178-L180 VanDerWaalsContact C-N 3.33Å; E178-L180 PolarHBondContact O-N 2.85Å; L180-K182 VanDerWaalsContact C-N 3.3Å; L180-K182 PolarHBondContact O-N 2.81Å; L180-Q184 WeakPolarHBondContact O-CA 3.49Å; L180-Q184 VanDerWaalsContact O-CG 3.3Å; L180-Q184 WeakPolarHBondContact O-CG 3.29Å; L180-Q184 PolarHBondContact O-N 3.33Å; L180-M187 HydrophobicContact CD1-CE 4.17Å; L180-M187 HydrophobicContact CD1-CG 3.97Å; L180-M187 HydrophobicContact CD1-SD 3.78Å; L180-M187 HydrophobicContact CD2-CG 3.73Å; L180-M187 HydrophobicContact CG-CG 4.29Å; L180-A311 HydrophobicContact CD2-CB 4.3Å; L180-A311 HydrophobicContact CG-CB 3.89Å
181S68.4Low79.9Confident84 Ų8461 Ų6159%0.58732%0.324SS*.Hα-helixtrans-62.6-38.1178.9780000112.5E177 E178 Q184E177-S181 PolarHBondContact O-N 2.81Å; E178-S181 PolarHBondContact O-N 3.42Å; E178-S181 PolarHBondContact O-OG 3.48Å; S181-Q184 PolarHBondContact O-NE2 2.92Å
182K70.3Confident81.8Confident112 Ų11259.5 Ų59.549%0.48731%0.314SS..Hα-helixtrans-79.7-38.2-173.6-173.4176.4179.1-167.70113.5L174 E178 I179 L180L174-K182 HydrophobicContact CD1-CD 4.07Å; E178-K182 VanDerWaalsContact O-CB 3.28Å; E178-K182 WeakPolarHBondContact O-CB 3.46Å; E178-K182 PolarHBondContact O-N 2.95Å; I179-K182 PolarHBondContact O-N 3.16Å; L180-K182 VanDerWaalsContact C-N 3.3Å; L180-K182 PolarHBondContact O-N 2.81Å
183Y73.3Confident83.6Confident58 Ų5857.5 Ų57.523%0.22730%0.3CS..Hα-helixtrans-117.7-26.6-170.3-58.3-68.1000114.7I179 L185 P314I179-Y183 HydrophobicContact CG2-CD2 3.91Å; I179-Y183 WeakPolarHBondContact O-CD2 3.36Å; I179-Y183 PolarHBondContact O-N 2.84Å; Y183-L185 WeakPolarHBondContact O-CG 3.26Å; Y183-L185 PolarHBondContact O-N 3.13Å; Y183-L185 VanDerWaalsContact O-N 3.12Å; Y183-P314 HydrophobicContact CD1-CG 3.65Å; Y183-P314 HydrophobicContact CE1-CG 3.56Å; Y183-P314 HydrophobicContact CE2-CG 4.43Å; Y183-P314 HydrophobicContact CG-CG 4.13Å
184Q80.9Confident85.1Confident145 Ų14552.8 Ų52.868%0.67827%0.267SS*.  trans55.529.4174.8-56.5172.828.100114.6L180 S181 G186L180-Q184 WeakPolarHBondContact O-CA 3.49Å; L180-Q184 VanDerWaalsContact O-CG 3.3Å; L180-Q184 WeakPolarHBondContact O-CG 3.29Å; L180-Q184 PolarHBondContact O-N 3.33Å; S181-Q184 PolarHBondContact O-NE2 2.92Å; Q184-G186 VanDerWaalsContact C-N 3.32Å; Q184-G186 PolarHBondContact O-N 2.83Å
185L84.2Confident86.1Confident32 Ų3252.8 Ų52.817%0.16827%0.267CS..  trans-85.7-0.6-178.1-59.9174.3000113.9Y183 P212 I290 L312 P314Y183-L185 WeakPolarHBondContact O-CG 3.26Å; Y183-L185 PolarHBondContact O-N 3.13Å; Y183-L185 VanDerWaalsContact O-N 3.12Å; L185-P212 HydrophobicContact CD2-CG 4.25Å; L185-P212 WeakPolarHBondContact O-CD 3Å; L185-I290 WeakPolarHBondContact CD1-O 3.46Å; L185-L312 HydrophobicContact CB-CB 3.79Å; L185-L312 VanDerWaalsContact O-CD1 3.26Å; L185-L312 WeakPolarHBondContact O-CD1 3.47Å; L185-P314 HydrophobicContact CD1-CB 3.96Å
186G89.9Confident86.6Confident3 Ų353.6 Ų53.63%0.03127%0.268CS..  trans87.3-165.7-176.500000113.9Q184 R209 D210 L312Q184-G186 VanDerWaalsContact C-N 3.32Å; Q184-G186 PolarHBondContact O-N 2.83Å; G186-R209 CarbonylContact C-O 3.51Å; G186-R209 VanDerWaalsContact CA-O 3.24Å; G186-R209 WeakPolarHBondContact CA-O 3.26Å; G186-D210 WeakPolarHBondContact CA-O 3.11Å; G186-D210 PolarHBondContact N-O 3.31Å; G186-L312 PolarHBondContact O-N 3.3Å
187M94.6Very high87.1Confident14 Ų1458 Ų587%0.06929%0.291CS..EExtended strand (participates in β ladder)trans-133.1152.7178.8-52.9-17485.500112.2D176 L180 A208 R209 W309 K310D176-M187 HydrophobicContact CB-CE 4.36Å; L180-M187 HydrophobicContact CD1-CE 4.17Å; L180-M187 HydrophobicContact CD1-CG 3.97Å; L180-M187 HydrophobicContact CD1-SD 3.78Å; L180-M187 HydrophobicContact CD2-CG 3.73Å; L180-M187 HydrophobicContact CG-CG 4.29Å; M187-A208 CarbonylContact O-C 3.56Å; M187-A208 VanDerWaalsContact O-CA 3.23Å; M187-A208 WeakPolarHBondContact O-CA 3.45Å; M187-A208 WeakPolarHBondContact O-CB 3.14Å; M187-R209 HydrophobicContact CB-CG 4.13Å; M187-R209 PolarHBondContact N-O 3Å; M187-R209 PolarHBondContact O-N 3.33Å; M187-R209 PolarHBondContact SD-NE 3.15Å; M187-R209 PolarHBondContact SD-NH2 2.9Å; M187-W309 HydrophobicContact CB-CE3 3.65Å; M187-W309 HydrophobicContact CB-CZ3 4.01Å; M187-W309 HydrophobicContact CE-CB 3.92Å; M187-W309 HydrophobicContact SD-CE3 4.45Å; M187-K310 CarbonylContact C-O 3.52Å; M187-K310 VanDerWaalsContact CA-O 3.28Å; M187-K310 WeakPolarHBondContact CA-O 3.01Å; M187-K310 WeakPolarHBondContact CB-O 3.21Å
188L97.4Very high87.6Confident0 Ų056.3 Ų56.30%028%0.282CS..EExtended strand (participates in β ladder)trans-112.7134.4174.1-175.265.4000110.9F190 V205 A208 V231 L276 V278 V293 W309 K310 L312L188-F190 HydrophobicContact CD2-CD1 4.46Å; L188-F190 HydrophobicContact CG-CD1 4.28Å; L188-V205 HydrophobicContact CD1-CG1 4.23Å; L188-A208 HydrophobicContact CD1-CB 3.98Å; L188-V231 HydrophobicContact CD1-CG2 4.11Å; L188-V231 HydrophobicContact CD2-CG1 4.26Å; L188-L276 HydrophobicContact CD2-CB 3.66Å; L188-L276 HydrophobicContact CD2-CD1 3.69Å; L188-L276 HydrophobicContact CD2-CG 4.27Å; L188-V278 HydrophobicContact CD1-CG2 4.13Å; L188-V278 HydrophobicContact CD2-CG2 4.02Å; L188-V278 HydrophobicContact CG-CG2 4.49Å; L188-V293 HydrophobicContact CB-CG2 4.18Å; L188-V293 HydrophobicContact CD2-CG2 4.36Å; L188-W309 WeakPolarHBondContact O-CA 3.32Å; L188-K310 PolarHBondContact N-O 2.9Å; L188-K310 PolarHBondContact O-N 3.11Å; L188-L312 HydrophobicContact CB-CD2 4.4Å
189H97.9Very high88.5Confident19 Ų1956.3 Ų56.39%0.08829%0.286CS..EExtended strand (participates in β ladder)trans-106.1124.7172.7-168.8-140.4000110.8I206 E207 H307 W308 W309H189-I206 HydrophobicContact CB-CB 4.33Å; H189-I206 WeakPolarHBondContact ND1-CD1 3.29Å; H189-I206 WeakPolarHBondContact ND1-CG2 3.42Å; H189-I206 WeakPolarHBondContact O-CB 3.47Å; H189-I206 PolarHBondContact O-N 2.89Å; H189-E207 WeakPolarHBondContact CA-O 3.29Å; H189-E207 HydrophobicContact CB-CG 3.89Å; H189-E207 WeakPolarHBondContact CB-O 3.41Å; H189-E207 PolarHBondContact N-O 2.69Å; H189-E207 PolarHBondContact O-N 3.22Å; H189-H307 AromaticContact CE1-ND1 3.5Å; H189-H307 PolarHBondContact CE1-ND1 3.08Å; H189-H307 AromaticContact NE2-CE1 3.93Å; H189-H307 AromaticContact NE2-CG 3.73Å; H189-H307 AromaticContact NE2-ND1 3.17Å; H189-H307 PolarHBondContact NE2-ND1 2.97Å; H189-H307 VanDerWaalsContact NE2-ND1 3.17Å; H189-W308 WeakPolarHBondContact CA-O 3.47Å; H189-W308 PolarHBondContact CD2-O 2.94Å; H189-W309 HydrophobicContact CB-CD2 3.77Å; H189-W309 HydrophobicContact CB-CE3 3.77Å; H189-W309 HydrophobicContact CB-CH2 3.72Å; H189-W309 HydrophobicContact CB-CZ2 3.69Å; H189-W309 HydrophobicContact CB-CZ3 3.74Å; H189-W309 AromaticContact CD2-CD1 3.63Å; H189-W309 AromaticContact CD2-CD2 3.99Å; H189-W309 AromaticContact CD2-CE2 3.78Å; H189-W309 AromaticContact CD2-CG 3.95Å; H189-W309 AromaticContact CD2-NE1 3.5Å; H189-W309 AromaticContact CG-CE2 3.69Å; H189-W309 AromaticContact CG-CZ2 3.94Å; H189-W309 AromaticContact CG-NE1 3.83Å; H189-W309 AromaticContact NE2-NE1 3.79Å
190F97.8Very high89.4Confident0 Ų057.3 Ų57.30%029%0.29CS..EExtended strand (participates in β ladder)trans-149.2161.3-179.362.3-79.4000110.5L188 T192 R204 L274 L276 V293 V295 H307 W308 K310L188-F190 HydrophobicContact CD2-CD1 4.46Å; L188-F190 HydrophobicContact CG-CD1 4.28Å; F190-T192 HydrophobicContact CD2-CG2 4.33Å; F190-R204 CarbonylContact C-O 3.47Å; F190-R204 WeakPolarHBondContact CA-O 3.21Å; F190-R204 VanDerWaalsContact CB-O 3.27Å; F190-R204 WeakPolarHBondContact CB-O 3.44Å; F190-L274 HydrophobicContact CD2-CD2 4.23Å; F190-L274 HydrophobicContact CE2-CD2 4.17Å; F190-L276 HydrophobicContact CB-CD1 3.89Å; F190-L276 HydrophobicContact CD1-CD1 3.59Å; F190-L276 HydrophobicContact CD2-CD1 3.67Å; F190-L276 HydrophobicContact CE1-CD1 4.04Å; F190-L276 HydrophobicContact CE2-CD1 4.1Å; F190-L276 HydrophobicContact CG-CD1 3.41Å; F190-L276 VanDerWaalsContact CG-CD1 3.41Å; F190-L276 HydrophobicContact CZ-CD1 4.28Å; F190-V293 HydrophobicContact CE1-CG1 3.94Å; F190-V293 HydrophobicContact CZ-CG1 4.1Å; F190-V295 HydrophobicContact CE2-CG2 4.12Å; F190-V295 HydrophobicContact CZ-CG2 3.72Å; F190-H307 CarbonylContact O-C 3.58Å; F190-H307 WeakPolarHBondContact O-CA 3.49Å; F190-H307 WeakPolarHBondContact O-CB 3.48Å; F190-W308 HydrophobicContact CD2-CE3 4.06Å; F190-W308 HydrophobicContact CE1-CB 4.39Å; F190-W308 AromaticContact CE2-CE3 3.61Å; F190-W308 HydrophobicContact CE2-CE3 3.61Å; F190-W308 HydrophobicContact CE2-CZ3 4.2Å; F190-W308 HydrophobicContact CZ-CB 4.19Å; F190-W308 HydrophobicContact CZ-CE3 4.14Å; F190-W308 PolarHBondContact N-O 2.94Å; F190-W308 PolarHBondContact O-N 3.4Å; F190-K310 HydrophobicContact CE1-CB 4.29Å; F190-K310 HydrophobicContact CE1-CG 4.32Å; F190-K310 HydrophobicContact CZ-CD 4.47Å; F190-K310 HydrophobicContact CZ-CG 4.45Å
191S96.9Very high90.3Very high24 Ų2454.7 Ų54.717%0.16828%0.276CS..EExtended strand (participates in β ladder)trans-127.6149.7172.581.40000111.5V203 R204 G306S191-V203 CarbonylContact O-C 3.5Å; S191-V203 WeakPolarHBondContact O-CA 3.41Å; S191-R204 PolarHBondContact N-O 2.91Å; S191-R204 PolarHBondContact O-N 2.9Å; S191-R204 WeakPolarHBondContact OG-CB 3.22Å; S191-G306 CarbonylContact C-O 3.22Å; S191-G306 WeakPolarHBondContact CA-O 3.44Å; S191-G306 WeakPolarHBondContact CB-O 3.38Å
192T96.3Very high91.6Very high1 Ų152.3 Ų52.31%0.00626%0.258CS..EExtended strand (participates in β ladder)trans-130.1142.4171.168.80000109.9F190 T202 V203 L274 G305 G306 W308F190-T192 HydrophobicContact CD2-CG2 4.33Å; T192-T202 WeakPolarHBondContact CA-O 3.47Å; T192-V203 HydrophobicContact CG2-CG1 4.35Å; T192-V203 HydrophobicContact CG2-CG2 4.19Å; T192-L274 HydrophobicContact CG2-CD2 3.46Å; T192-L274 VanDerWaalsContact CG2-CD2 3.46Å; T192-G305 CarbonylContact O-C 3.58Å; T192-G305 WeakPolarHBondContact O-CA 3.38Å; T192-G306 PolarHBondContact N-O 3.36Å; T192-G306 PolarHBondContact O-N 2.62Å; T192-W308 HydrophobicContact CG2-CZ3 4.03Å; T192-W308 WeakPolarHBondContact OG1-CH2 3.34Å; T192-W308 VanDerWaalsContact OG1-CZ3 3.24Å; T192-W308 WeakPolarHBondContact OG1-CZ3 3.47Å
193Q95.9Very high92.9Very high106 Ų10647 Ų4750%0.49524%0.235SC..EExtended strand (participates in β ladder)trans-156138.6176.8-173.317428.600108.7T202Q193-T202 PolarHBondContact N-O 2.88Å; Q193-T202 WeakPolarHBondContact O-CA 3.4Å; Q193-T202 PolarHBondContact O-N 3.39Å
194Y96.8Very high94.1Very high7 Ų747.2 Ų47.23%0.02724%0.235CC..EExtended strand (participates in β ladder)trans-104.8131.1177.3-172-77.7000110.6L196 N199 L201 I264 F266 A269 L302Y194-L196 HydrophobicContact CD1-CD2 3.89Å; Y194-L196 HydrophobicContact CD1-CG 4.22Å; Y194-L196 HydrophobicContact CE1-CD2 3.89Å; Y194-L196 HydrophobicContact CE1-CG 4.5Å; Y194-N199 VanDerWaalsContact OH-CA 3.32Å; Y194-N199 WeakPolarHBondContact OH-CA 3.15Å; Y194-N199 PolarHBondContact OH-OD1 3.34Å; Y194-L201 HydrophobicContact CD2-CB 4.02Å; Y194-L201 HydrophobicContact CD2-CD1 4.45Å; Y194-I264 VanDerWaalsContact CE2-O 3.26Å; Y194-I264 WeakPolarHBondContact CE2-O 3.48Å; Y194-I264 PolarHBondContact OH-O 3.01Å; Y194-F266 HydrophobicContact CD1-CB 4.43Å; Y194-F266 AromaticContact CD1-CD2 3.65Å; Y194-F266 HydrophobicContact CD1-CD2 3.65Å; Y194-F266 HydrophobicContact CD1-CE2 4.47Å; Y194-F266 HydrophobicContact CD2-CD2 4.24Å; Y194-F266 HydrophobicContact CE1-CB 3.85Å; Y194-F266 AromaticContact CE1-CD2 3.95Å; Y194-F266 HydrophobicContact CE1-CD2 3.95Å; Y194-F266 HydrophobicContact CE1-CG 4.4Å; Y194-F266 HydrophobicContact CE2-CB 4.27Å; Y194-F266 HydrophobicContact CE2-CD2 4.49Å; Y194-F266 AromaticContact CG-CD2 3.82Å; Y194-F266 HydrophobicContact CG-CD2 3.82Å; Y194-F266 HydrophobicContact CG-CE2 4.49Å; Y194-F266 PolarHBondContact OH-N 3.23Å; Y194-A269 HydrophobicContact CD2-CB 3.96Å; Y194-A269 HydrophobicContact CE2-CB 3.98Å; Y194-L302 PolarHBondContact N-O 3.15Å
195D94.8Very high94.9Very high50 Ų5040.3 Ų40.327%0.26720%0.203SC..EExtended strand (participates in β ladder)trans-92.6108.5174-170.4-32.8000110.1L197 H198 N199 H200D195-L197 VanDerWaalsContact C-N 3.31Å; D195-L197 PolarHBondContact O-N 3.05Å; D195-L197 WeakPolarHBondContact OD1-CA 3.37Å; D195-L197 WeakPolarHBondContact OD1-CB 3.37Å; D195-L197 PolarHBondContact OD1-N 3.12Å; D195-H198 HydrophobicContact CB-CB 4.37Å; D195-H198 VanDerWaalsContact CG-ND1 3.3Å; D195-H198 IonicContact OD1-CG 2.63Å; D195-H198 PolarHBondContact OD1-N 2.98Å; D195-H198 IonicContact OD1-ND1 3.87Å; D195-H198 PolarHBondContact OD1-ND1 3.43Å; D195-H198 IonicContact OD2-CE1 3.42Å; D195-H198 IonicContact OD2-CG 3.42Å; D195-H198 IonicContact OD2-ND1 2.72Å; D195-H198 PolarHBondContact OD2-ND1 3.31Å; D195-N199 WeakPolarHBondContact O-CA 3.46Å; D195-N199 PolarHBondContact O-N 3.06Å; D195-H200 PolarHBondContact N-O 2.8Å; D195-H200 PolarHBondContact O-N 2.88Å; D195-H200 IonicContact OD2-CE1 2.85Å
196L92.1Very high95.6Very high90 Ų9039.3 Ų39.347%0.47120%0.198SC..THydrogen-bonded Turntrans-70.3-22.9178.7-69172.5000113.8Y194 F266 V303Y194-L196 HydrophobicContact CD1-CD2 3.89Å; Y194-L196 HydrophobicContact CD1-CG 4.22Å; Y194-L196 HydrophobicContact CE1-CD2 3.89Å; Y194-L196 HydrophobicContact CE1-CG 4.5Å; L196-F266 HydrophobicContact CD2-CB 4.33Å; L196-F266 HydrophobicContact CD2-CD2 3.82Å; L196-F266 HydrophobicContact CD2-CE2 4.34Å; L196-F266 HydrophobicContact CD2-CG 4.09Å; L196-V303 HydrophobicContact CD1-CG1 3.96Å; L196-V303 HydrophobicContact CD1-CG2 4.08Å
197L92.8Very high95.9Very high150 Ų15042.5 Ų42.579%0.78521%0.212SC*.THydrogen-bonded Turntrans-80.7-38.9179.1-60174.9000110.8D195D195-L197 VanDerWaalsContact C-N 3.31Å; D195-L197 PolarHBondContact O-N 3.05Å; D195-L197 WeakPolarHBondContact OD1-CA 3.37Å; D195-L197 WeakPolarHBondContact OD1-CB 3.37Å; D195-L197 PolarHBondContact OD1-N 3.12Å
198H91.4Very high96Very high126 Ų12641.9 Ų41.958%0.58321%0.209SC*.THydrogen-bonded Turntrans-105.36.8-175-57.7106.7000114.2D195 H200D195-H198 HydrophobicContact CB-CB 4.37Å; D195-H198 VanDerWaalsContact CG-ND1 3.3Å; D195-H198 IonicContact OD1-CG 2.63Å; D195-H198 PolarHBondContact OD1-N 2.98Å; D195-H198 IonicContact OD1-ND1 3.87Å; D195-H198 PolarHBondContact OD1-ND1 3.43Å; D195-H198 IonicContact OD2-CE1 3.42Å; D195-H198 IonicContact OD2-CG 3.42Å; D195-H198 IonicContact OD2-ND1 2.72Å; D195-H198 PolarHBondContact OD2-ND1 3.31Å; H198-H200 WeakPolarHBondContact CB-CE1 3.29Å; H198-H200 VanDerWaalsContact CB-ND1 3.29Å; H198-H200 WeakPolarHBondContact CB-ND1 3.4Å; H198-H200 PolarHBondContact O-N 3.22Å; H198-H200 PolarHBondContact O-ND1 2.94Å
199N93.8Very high95.8Very high93 Ų9346.6 Ų46.650%0.49723%0.227SC..THydrogen-bonded Turntrans46.849.7177.2-72.5-56.6000115.3Y194 D195Y194-N199 VanDerWaalsContact OH-CA 3.32Å; Y194-N199 WeakPolarHBondContact OH-CA 3.15Å; Y194-N199 PolarHBondContact OH-OD1 3.34Å; D195-N199 WeakPolarHBondContact O-CA 3.46Å; D195-N199 PolarHBondContact O-N 3.06Å
200H94.9Very high95.4Very high34 Ų3449.8 Ų49.816%0.15724%0.244CC..EExtended strand (participates in β ladder)trans-141.9147.1176.266.6-97.8000113.4D195 H198 T202 F262D195-H200 PolarHBondContact N-O 2.8Å; D195-H200 PolarHBondContact O-N 2.88Å; D195-H200 IonicContact OD2-CE1 2.85Å; H198-H200 WeakPolarHBondContact CB-CE1 3.29Å; H198-H200 VanDerWaalsContact CB-ND1 3.29Å; H198-H200 WeakPolarHBondContact CB-ND1 3.4Å; H198-H200 PolarHBondContact O-N 3.22Å; H198-H200 PolarHBondContact O-ND1 2.94Å; H200-T202 PolarHBondContact CD2-OG1 3.03Å; H200-F262 CarbonylContact C-O 3.6Å; H200-F262 WeakPolarHBondContact CA-O 3.47Å; H200-F262 WeakPolarHBondContact CB-O 3.47Å
201L95.9Very high95Very high0 Ų050.1 Ų50.10%025%0.246CC..EExtended strand (participates in β ladder)trans-87.2120.8169.7177.968.6000109.6Y194 V203 L235 T261 F262 I264 L297 L302Y194-L201 HydrophobicContact CD2-CB 4.02Å; Y194-L201 HydrophobicContact CD2-CD1 4.45Å; L201-V203 HydrophobicContact CD2-CG2 4.2Å; L201-V203 HydrophobicContact CG-CG2 4.21Å; L201-L235 HydrophobicContact CD2-CD1 4.11Å; L201-L235 HydrophobicContact CD2-CD2 4.07Å; L201-T261 CarbonylContact O-C 3.45Å; L201-T261 WeakPolarHBondContact O-CA 3.49Å; L201-F262 HydrophobicContact CB-CB 4.41Å; L201-F262 PolarHBondContact N-O 2.81Å; L201-F262 PolarHBondContact O-N 3.33Å; L201-I264 HydrophobicContact CB-CD1 4.23Å; L201-I264 HydrophobicContact CB-CG1 4.29Å; L201-I264 HydrophobicContact CD2-CD1 4.32Å; L201-L297 HydrophobicContact CD2-CD1 3.48Å; L201-L297 VanDerWaalsContact CD2-CD1 3.48Å; L201-L302 HydrophobicContact CD1-CD2 3.83Å
202T96.6Very high94.3Very high34 Ų3450.8 Ų50.821%0.20925%0.25CC..EExtended strand (participates in β ladder)trans-93.1127.8168.7-64.20000110.3T192 Q193 H200 Y260T192-T202 WeakPolarHBondContact CA-O 3.47Å; Q193-T202 PolarHBondContact N-O 2.88Å; Q193-T202 WeakPolarHBondContact O-CA 3.4Å; Q193-T202 PolarHBondContact O-N 3.39Å; H200-T202 PolarHBondContact CD2-OG1 3.03Å; T202-Y260 CarbonylContact C-O 3.59Å; T202-Y260 WeakPolarHBondContact CA-O 3.43Å
203V97.3Very high93.4Very high0 Ų054.4 Ų54.40%027%0.273CS..EExtended strand (participates in β ladder)trans-116.6123.4170.4-176.40000108.3S191 T192 L201 I233 Y260 F262 L274 L276S191-V203 CarbonylContact O-C 3.5Å; S191-V203 WeakPolarHBondContact O-CA 3.41Å; T192-V203 HydrophobicContact CG2-CG1 4.35Å; T192-V203 HydrophobicContact CG2-CG2 4.19Å; L201-V203 HydrophobicContact CD2-CG2 4.2Å; L201-V203 HydrophobicContact CG-CG2 4.21Å; V203-I233 HydrophobicContact CB-CG2 4.5Å; V203-I233 HydrophobicContact CG1-CG2 4.19Å; V203-Y260 PolarHBondContact N-O 2.72Å; V203-Y260 PolarHBondContact O-N 3.27Å; V203-F262 HydrophobicContact CB-CE2 4.39Å; V203-F262 HydrophobicContact CG2-CD2 4.17Å; V203-F262 HydrophobicContact CG2-CE2 4Å; V203-L274 HydrophobicContact CG1-CD1 4.27Å; V203-L274 HydrophobicContact CG1-CD2 3.98Å; V203-L274 HydrophobicContact CG2-CD1 4.2Å; V203-L274 HydrophobicContact CG2-CD2 4.27Å; V203-L276 HydrophobicContact CG1-CD2 4.48Å
204R97.8Very high92Very high63 Ų6349.8 Ų49.824%0.23825%0.253CS..EExtended strand (participates in β ladder)trans-108.6123.6174.4-177.6-175.7178.2-164.7-3.2108.9F190 S191 I206 E257 E258 R259F190-R204 CarbonylContact C-O 3.47Å; F190-R204 WeakPolarHBondContact CA-O 3.21Å; F190-R204 VanDerWaalsContact CB-O 3.27Å; F190-R204 WeakPolarHBondContact CB-O 3.44Å; S191-R204 PolarHBondContact N-O 2.91Å; S191-R204 PolarHBondContact O-N 2.9Å; S191-R204 WeakPolarHBondContact OG-CB 3.22Å; R204-I206 HydrophobicContact CG-CG1 3.8Å; R204-E257 IonicContact CZ-OE1 3.74Å; R204-E257 IonicContact CZ-OE2 2.81Å; R204-E257 IonicContact NE-OE2 3.96Å; R204-E257 PolarHBondContact NE-OE2 1.79Å; R204-E257 IonicContact NH2-OE1 3.36Å; R204-E257 PolarHBondContact NH2-OE1 2.96Å; R204-E257 IonicContact NH2-OE2 2.74Å; R204-E257 PolarHBondContact NH2-OE2 2.86Å; R204-E258 CarbonylContact C-O 3.52Å; R204-E258 VanDerWaalsContact CA-O 3.3Å; R204-E258 WeakPolarHBondContact CA-O 3.42Å; R204-R259 HydrophobicContact CB-CG 3.99Å; R204-R259 HydrophobicContact CG-CG 3.79Å
205V97.9Very high90.1Very high0 Ų056 Ų560%029%0.285CS..EExtended strand (participates in β ladder)trans-92116.2168.2-1750000106.5L188 V231 I233 T245 F256 E257 E258 Y260 L276L188-V205 HydrophobicContact CD1-CG1 4.23Å; V205-V231 HydrophobicContact CG1-CB 4.08Å; V205-V231 HydrophobicContact CG1-CG1 4.39Å; V205-V231 HydrophobicContact CG1-CG2 3.79Å; V205-V231 HydrophobicContact CG2-CG1 4.4Å; V205-I233 HydrophobicContact CG2-CD1 4.09Å; V205-I233 HydrophobicContact CG2-CG1 3.9Å; V205-T245 HydrophobicContact CB-CG2 4.04Å; V205-T245 HydrophobicContact CG1-CG2 4.16Å; V205-T245 HydrophobicContact CG2-CG2 4.16Å; V205-F256 HydrophobicContact CB-CB 4.35Å; V205-F256 HydrophobicContact CG1-CB 3.99Å; V205-F256 HydrophobicContact CG1-CD2 3.67Å; V205-F256 HydrophobicContact CG1-CE2 4.39Å; V205-F256 HydrophobicContact CG1-CG 3.92Å; V205-F256 WeakPolarHBondContact O-CB 3.47Å; V205-E257 WeakPolarHBondContact O-CA 3.45Å; V205-E257 PolarHBondContact O-N 2.97Å; V205-E257 VanDerWaalsContact O-N 3.12Å; V205-E258 PolarHBondContact N-O 2.96Å; V205-E258 PolarHBondContact O-N 2.85Å; V205-Y260 HydrophobicContact CG2-CE2 4.45Å; V205-L276 HydrophobicContact CG2-CD2 4.42Å
206I97.7Very high88Confident12 Ų1255.8 Ų55.86%0.06229%0.287CS..EExtended strand (participates in β ladder)trans-95-68.3-169.5-57169.7000109H189 R204 F256 E257 H307H189-I206 HydrophobicContact CB-CB 4.33Å; H189-I206 WeakPolarHBondContact ND1-CD1 3.29Å; H189-I206 WeakPolarHBondContact ND1-CG2 3.42Å; H189-I206 WeakPolarHBondContact O-CB 3.47Å; H189-I206 PolarHBondContact O-N 2.89Å; R204-I206 HydrophobicContact CG-CG1 3.8Å; I206-F256 WeakPolarHBondContact O-CA 3.45Å; I206-F256 PolarHBondContact O-N 2.85Å; I206-E257 PolarHBondContact O-N 3.03Å; I206-H307 HydrophobicContact CD1-CB 4.45Å
207E97.5Very high86Confident69 Ų6955.5 Ų55.532%0.32228%0.283SS..EExtended strand (participates in β ladder)trans-155.7167.9-178.559.8178.7-159.600111.5H189 P254 V255 W309H189-E207 WeakPolarHBondContact CA-O 3.29Å; H189-E207 HydrophobicContact CB-CG 3.89Å; H189-E207 WeakPolarHBondContact CB-O 3.41Å; H189-E207 PolarHBondContact N-O 2.69Å; H189-E207 PolarHBondContact O-N 3.22Å; E207-P254 CarbonylContact C-O 3.52Å; E207-P254 WeakPolarHBondContact CA-O 3.26Å; E207-P254 WeakPolarHBondContact CB-O 3.48Å; E207-V255 HydrophobicContact CB-CG2 4.27Å; E207-W309 HydrophobicContact CG-CH2 3.79Å; E207-W309 HydrophobicContact CG-CZ2 4.08Å; E207-W309 WeakPolarHBondContact OE1-CH2 3.22Å; E207-W309 WeakPolarHBondContact OE1-CZ2 3.29Å
208A97.1Very high83.9Confident2 Ų251.9 Ų51.92%0.01727%0.265CS..EExtended strand (participates in β ladder)trans-129.2154.5165.700000109.9M187 L188 L211 K253 P254 F256M187-A208 CarbonylContact O-C 3.56Å; M187-A208 VanDerWaalsContact O-CA 3.23Å; M187-A208 WeakPolarHBondContact O-CA 3.45Å; M187-A208 WeakPolarHBondContact O-CB 3.14Å; L188-A208 HydrophobicContact CD1-CB 3.98Å; A208-L211 HydrophobicContact CB-CD1 4.09Å; A208-L211 HydrophobicContact CB-CD2 4.11Å; A208-L211 HydrophobicContact CB-CG 4.21Å; A208-K253 CarbonylContact O-C 3.54Å; A208-K253 WeakPolarHBondContact O-CA 3.38Å; A208-P254 HydrophobicContact CB-CG 3.82Å; A208-P254 PolarHBondContact N-O 2.97Å; A208-P254 WeakPolarHBondContact O-CD 3.21Å; A208-F256 HydrophobicContact CB-CE2 4.38Å
209R93.4Very high81.9Confident99 Ų9948.9 Ų48.937%0.37427%0.268SS..EExtended strand (participates in β ladder)trans-132151.4179.372.1-175.3179.2-170.84.9112G186 M187 L211 W309G186-R209 CarbonylContact C-O 3.51Å; G186-R209 VanDerWaalsContact CA-O 3.24Å; G186-R209 WeakPolarHBondContact CA-O 3.26Å; M187-R209 HydrophobicContact CB-CG 4.13Å; M187-R209 PolarHBondContact N-O 3Å; M187-R209 PolarHBondContact O-N 3.33Å; M187-R209 PolarHBondContact SD-NE 3.15Å; M187-R209 PolarHBondContact SD-NH2 2.9Å; R209-L211 PolarHBondContact O-N 2.98Å; R209-W309 HydrophobicContact CB-CH2 4.12Å; R209-W309 HydrophobicContact CB-CZ3 4.15Å; R209-W309 HydrophobicContact CG-CE3 4.37Å; R209-W309 HydrophobicContact CG-CH2 3.89Å; R209-W309 HydrophobicContact CG-CZ3 3.56Å
210D88.4Confident79.8Confident85 Ų8548.7 Ų48.746%0.45527%0.274SS..SBendtrans55.738.1170.9-49.8-50.3000112.6G186 Q252 K253G186-D210 WeakPolarHBondContact CA-O 3.11Å; G186-D210 PolarHBondContact N-O 3.31Å; D210-Q252 PolarHBondContact N-O 2.89Å; D210-K253 WeakPolarHBondContact OD1-CE 3.42Å; D210-K253 IonicContact OD1-NZ 3.94Å; D210-K253 PolarHBondContact OD1-NZ 3.39Å
211L89.7Confident77.8Confident8 Ų854.4 Ų54.44%0.04229%0.294CS..PPolyproline II helixtrans-67.1144.8173-60.3-178.6000110.5A208 R209 P229 Q252 P254 V278 I290 L312A208-L211 HydrophobicContact CB-CD1 4.09Å; A208-L211 HydrophobicContact CB-CD2 4.11Å; A208-L211 HydrophobicContact CB-CG 4.21Å; R209-L211 PolarHBondContact O-N 2.98Å; L211-P229 HydrophobicContact CD1-CB 3.85Å; L211-P229 HydrophobicContact CD1-CG 3.96Å; L211-Q252 HydrophobicContact CB-CB 4.3Å; L211-Q252 PolarHBondContact N-O 2.84Å; L211-Q252 WeakPolarHBondContact O-CB 3.37Å; L211-Q252 WeakPolarHBondContact O-CG 3.41Å; L211-Q252 PolarHBondContact O-OE1 2.74Å; L211-P254 HydrophobicContact CD1-CG 3.87Å; L211-V278 HydrophobicContact CD1-CG1 4.32Å; L211-V278 HydrophobicContact CD2-CG1 4.4Å; L211-I290 HydrophobicContact CD1-CD1 4.37Å; L211-I290 HydrophobicContact CD2-CG2 4.28Å; L211-L312 HydrophobicContact CD2-CD1 3.43Å; L211-L312 VanDerWaalsContact CD2-CD1 3.43Å
212P82.4Confident75.6Confident37 Ų3762 Ų6224%0.2433%0.329CS..PPolyproline II helixtrans-69.6154.6178.128.9-36.2000112.3L185 S227 Q252 I290L185-P212 HydrophobicContact CD2-CG 4.25Å; L185-P212 WeakPolarHBondContact O-CD 3Å; P212-S227 PolarHBondContact O-OG 3.17Å; P212-S227 VanDerWaalsContact O-OG 3.06Å; P212-Q252 VanDerWaalsContact O-CD 3.3Å; P212-Q252 PolarHBondContact O-NE2 2.83Å; P212-Q252 PolarHBondContact O-OE1 3.19Å; P212-I290 HydrophobicContact CG-CG2 3.77Å
213P76.6Confident73.5Confident77 Ų7765.9 Ų65.950%0.535%0.349SS..PPolyproline II helixtrans-55.2155.2167.626.4-34.5000111.9I215P213-I215 PolarHBondContact O-N 3.32Å
214P67.6Low71.7Confident10 Ų1068.7 Ų68.77%0.06536%0.363CS..PPolyproline II helixtrans-52.6138.6174.1-27.237000111.1S216 H217 M224 S227 D280P214-S216 PolarHBondContact O-N 2.69Å; P214-S216 VanDerWaalsContact O-N 3.1Å; P214-H217 VanDerWaalsContact O-CB 3.27Å; P214-H217 WeakPolarHBondContact O-CB 3.43Å; P214-H217 PolarHBondContact O-N 3.21Å; P214-M224 WeakPolarHBondContact CD-O 3.41Å; P214-M224 WeakPolarHBondContact CG-O 3.41Å; P214-S227 WeakPolarHBondContact CD-OG 3.44Å; P214-D280 WeakPolarHBondContact CB-OD2 3.45Å
215I56.5Low70Confident138 Ų13866.6 Ų66.671%0.70836%0.359SS*.THydrogen-bonded Turntrans-60.6-23.8177.3-59.4170.4000110.7P213 H217 C288P213-I215 PolarHBondContact O-N 3.32Å; I215-H217 VanDerWaalsContact C-N 3.26Å; I215-H217 PolarHBondContact O-N 2.8Å; I215-C288 HydrophobicContact CD1-CB 4.46Å
216S50.7Low68.7Low44 Ų4470.9 Ų70.931%0.30838%0.379SS..THydrogen-bonded Turntrans-81.617.7174.956.10000115.1P214 D218P214-S216 PolarHBondContact O-N 2.69Å; P214-S216 VanDerWaalsContact O-N 3.1Å; S216-D218 PolarHBondContact O-N 2.96Å
217H49.9Very low68Low84 Ų8470.3 Ų70.339%0.38938%0.376SS..  trans-69.585.1-179.7-175.8-95.7000113.3P214 I215P214-H217 VanDerWaalsContact O-CB 3.27Å; P214-H217 WeakPolarHBondContact O-CB 3.43Å; P214-H217 PolarHBondContact O-N 3.21Å; I215-H217 VanDerWaalsContact C-N 3.26Å; I215-H217 PolarHBondContact O-N 2.8Å
218D48Very low67.6Low75 Ų7568.9 Ų68.940%0.40137%0.371SS..  trans-73120.2160.3174.415.8000109.8S216 S220 R221S216-D218 PolarHBondContact O-N 2.96Å; D218-S220 VanDerWaalsContact CG-OG 3.3Å; D218-S220 PolarHBondContact O-N 3.43Å; D218-S220 PolarHBondContact OD1-N 3.26Å; D218-S220 WeakPolarHBondContact OD2-CB 3.21Å; D218-S220 PolarHBondContact OD2-OG 3.22Å; D218-R221 PolarHBondContact O-N 2.93Å
219G49.4Very low67.5Low63 Ų6368.8 Ų68.865%0.64937%0.37SS*.THydrogen-bonded Turntrans-61.1-8.4178.100000114.9
220S50Low67.6Low88 Ų8865.4 Ų65.462%0.61536%0.357SS*.THydrogen-bonded Turntrans-78.2-16.6170.189.50000114.2D218D218-S220 VanDerWaalsContact CG-OG 3.3Å; D218-S220 PolarHBondContact O-N 3.43Å; D218-S220 PolarHBondContact OD1-N 3.26Å; D218-S220 WeakPolarHBondContact OD2-CB 3.21Å; D218-S220 PolarHBondContact OD2-OG 3.22Å
221R52.5Low68Low154 Ų15461.3 Ų61.358%0.58134%0.336SS*.  trans-123.286.9-172.1-64.3-174.8-176.8-175.11.5112.7D218 D223 M224D218-R221 PolarHBondContact O-N 2.93Å; R221-D223 PolarHBondContact O-N 2.79Å; R221-M224 PolarHBondContact O-N 2.89Å
222Q51.4Low68.2Low159 Ų15965.1 Ų65.174%0.74335%0.352SS*.G310 helixtrans-51.1-28.7176.5-154.372.942.800114M224 A225Q222-M224 PolarHBondContact O-N 3.19Å; Q222-A225 WeakPolarHBondContact O-CB 3.41Å; Q222-A225 PolarHBondContact O-N 2.88Å
223D52.3Low68.9Low116 Ų11663.3 Ų63.362%0.6234%0.34SS*.G310 helixtrans-63-19.4176.3-87.7-54.3000115.1R221 K250R221-D223 PolarHBondContact O-N 2.79Å; D223-K250 IonicContact OD1-NZ 3.65Å; D223-K250 PolarHBondContact OD1-NZ 3.42Å
224M58.1Low69.7Low59 Ų5960 Ų6029%0.29132%0.319SS..G310 helixtrans-101.38.9179.5-72.2178.2136.200113.5P214 R221 Q222 H226P214-M224 WeakPolarHBondContact CD-O 3.41Å; P214-M224 WeakPolarHBondContact CG-O 3.41Å; R221-M224 PolarHBondContact O-N 2.89Å; Q222-M224 PolarHBondContact O-N 3.19Å; M224-H226 PolarHBondContact O-N 2.82Å; M224-H226 VanDerWaalsContact O-N 3.11Å
225A62.6Low70.9Confident20 Ų2060 Ų6017%0.16532%0.318CS..SBendtrans-66.9-5.6175.200000114.8Q222Q222-A225 WeakPolarHBondContact O-CB 3.41Å; Q222-A225 PolarHBondContact O-N 2.88Å
226H71.4Confident72.4Confident89 Ų8955.5 Ų55.541%0.41230%0.295SS..SBendtrans-138.3131.8-171.4-55.2-54.3000112.1M224 K250M224-H226 PolarHBondContact O-N 2.82Å; M224-H226 VanDerWaalsContact O-N 3.11Å; H226-K250 VanDerWaalsContact CB-C 3.43Å; H226-K250 VanDerWaalsContact CB-CA 3.46Å; H226-K250 HydrophobicContact CB-CB 3.89Å; H226-K250 HydrophobicContact CB-CG 4.45Å
227S82.3Confident73.8Confident1 Ų158.7 Ų58.71%0.00732%0.315CS..  trans-69.4158.4176.6-51.10000111.1P212 P214 P229 K250 T251 Q252 D280P212-S227 PolarHBondContact O-OG 3.17Å; P212-S227 VanDerWaalsContact O-OG 3.06Å; P214-S227 WeakPolarHBondContact CD-OG 3.44Å; S227-P229 VanDerWaalsContact O-CD 3.23Å; S227-P229 WeakPolarHBondContact O-CD 3.44Å; S227-K250 CarbonylContact O-C 3.5Å; S227-K250 VanDerWaalsContact O-CA 3.31Å; S227-K250 WeakPolarHBondContact O-CA 3.4Å; S227-K250 PolarHBondContact O-N 2.83Å; S227-K250 VanDerWaalsContact O-N 3.13Å; S227-T251 PolarHBondContact O-N 2.6Å; S227-Q252 PolarHBondContact OG-NE2 2.8Å; S227-Q252 PolarHBondContact OG-OE1 3.34Å; S227-D280 WeakPolarHBondContact CA-OD1 3.16Å
228N90.1Very high75Confident39 Ų3956.9 Ų56.921%0.20931%0.308CS..  trans-11364.5170.4-51.4-73.2000109.5V247 K248 R249 K250 D280 F281N228-V247 HydrophobicContact CB-CG1 3.83Å; N228-V247 WeakPolarHBondContact O-CG1 3.34Å; N228-K248 CarbonylContact C-O 3.59Å; N228-K248 VanDerWaalsContact C-O 3.22Å; N228-K248 WeakPolarHBondContact CA-O 3.26Å; N228-R249 VanDerWaalsContact OD1-CA 3.31Å; N228-R249 WeakPolarHBondContact OD1-CA 3.39Å; N228-K250 PolarHBondContact OD1-N 3.25Å; N228-D280 PolarHBondContact N-OD1 2.98Å; N228-F281 HydrophobicContact CB-CB 4.03Å; N228-F281 WeakPolarHBondContact CB-O 3.45Å; N228-F281 PolarHBondContact ND2-O 2.82Å; N228-F281 VanDerWaalsContact ND2-O 3.13Å; N228-F281 VanDerWaalsContact O-CB 3.29Å; N228-F281 WeakPolarHBondContact O-CB 3.27Å; N228-F281 PolarHBondContact O-N 2.84Å
229P93.3Very high76Confident0 Ų059.7 Ų59.70%032%0.319CS..EExtended strand (participates in β ladder)trans-66.9143.7-170.228.4-38.4000113.4L211 S227 K248 T251 P254 F256 V278 V279 I290L211-P229 HydrophobicContact CD1-CB 3.85Å; L211-P229 HydrophobicContact CD1-CG 3.96Å; S227-P229 VanDerWaalsContact O-CD 3.23Å; S227-P229 WeakPolarHBondContact O-CD 3.44Å; P229-K248 VanDerWaalsContact CD-O 3.25Å; P229-K248 WeakPolarHBondContact CD-O 3.49Å; P229-K248 PolarHBondContact O-N 3.12Å; P229-T251 VanDerWaalsContact CD-O 3.3Å; P229-T251 WeakPolarHBondContact CD-O 3.28Å; P229-T251 HydrophobicContact CG-CG2 4.32Å; P229-P254 HydrophobicContact CB-CG 4.15Å; P229-P254 HydrophobicContact CG-CB 3.65Å; P229-P254 HydrophobicContact CG-CG 3.5Å; P229-F256 HydrophobicContact CB-CZ 4.32Å; P229-V278 HydrophobicContact CB-CG1 4.38Å; P229-V279 CarbonylContact C-O 3.52Å; P229-V279 WeakPolarHBondContact CA-O 3.18Å; P229-I290 HydrophobicContact CB-CD1 4.38Å
230Y96.3Very high76.9Confident27 Ų2765.8 Ų65.811%0.10633%0.327CS..EExtended strand (participates in β ladder)trans-137.4162.5162.273.9-80.5000109.9Q244 T245 V247 V279 F281 H287Y230-Q244 HydrophobicContact CD2-CB 4.37Å; Y230-T245 WeakPolarHBondContact CA-OG1 3.45Å; Y230-V247 HydrophobicContact CD1-CG2 4.13Å; Y230-V247 HydrophobicContact CG-CG2 4.24Å; Y230-V279 HydrophobicContact CD1-CB 4.12Å; Y230-V279 VanDerWaalsContact CD1-O 3.25Å; Y230-V279 WeakPolarHBondContact CD1-O 3.42Å; Y230-V279 HydrophobicContact CE1-CB 3.61Å; Y230-V279 HydrophobicContact CE1-CG1 3.79Å; Y230-V279 HydrophobicContact CE2-CB 4.32Å; Y230-V279 PolarHBondContact N-O 2.93Å; Y230-V279 PolarHBondContact O-N 2.87Å; Y230-F281 HydrophobicContact CD1-CB 3.99Å; Y230-F281 HydrophobicContact CE1-CB 4.15Å; Y230-H287 HydrophobicContact CE1-CB 4.41Å; Y230-H287 AromaticContact CE1-ND1 3.51Å; Y230-H287 AromaticContact CZ-ND1 3.56Å; Y230-H287 PolarHBondContact OH-ND1 3.09Å
231V96.9Very high78.2Confident0 Ų066.9 Ų66.90%033%0.327CS..EExtended strand (participates in β ladder)trans-117.8129.2-179.1-171.30000109.9L188 V205 I233 Q244 T245 F256 L276 T277 V278L188-V231 HydrophobicContact CD1-CG2 4.11Å; L188-V231 HydrophobicContact CD2-CG1 4.26Å; V205-V231 HydrophobicContact CG1-CB 4.08Å; V205-V231 HydrophobicContact CG1-CG1 4.39Å; V205-V231 HydrophobicContact CG1-CG2 3.79Å; V205-V231 HydrophobicContact CG2-CG1 4.4Å; V231-I233 WeakPolarHBondContact O-CD1 3.15Å; V231-Q244 CarbonylContact O-C 3.55Å; V231-Q244 VanDerWaalsContact O-CA 3.25Å; V231-Q244 WeakPolarHBondContact O-CA 3.49Å; V231-T245 HydrophobicContact CB-CG2 3.97Å; V231-T245 PolarHBondContact N-OG1 3.22Å; V231-T245 PolarHBondContact O-N 2.67Å; V231-F256 HydrophobicContact CG2-CD2 4.26Å; V231-F256 HydrophobicContact CG2-CE1 4.32Å; V231-F256 HydrophobicContact CG2-CE2 3.72Å; V231-F256 HydrophobicContact CG2-CZ 3.76Å; V231-L276 HydrophobicContact CG1-CB 4.14Å; V231-L276 HydrophobicContact CG1-CD2 4.24Å; V231-T277 CarbonylContact C-O 3.52Å; V231-T277 WeakPolarHBondContact CA-O 3.35Å; V231-V278 HydrophobicContact CG2-CG2 4.16Å
232K94.9Very high79.9Confident87 Ų8761.6 Ų61.638%0.37831%0.313SS..EExtended strand (participates in β ladder)trans-93.8128.8168.3-174.3179.4-179.6-179.20109.2S242 K243 L276 T277K232-S242 VanDerWaalsContact CE-CB 3.5Å; K232-S242 WeakPolarHBondContact CE-OG 3.11Å; K232-K243 CarbonylContact C-O 3.55Å; K232-K243 WeakPolarHBondContact CA-O 3.41Å; K232-L276 WeakPolarHBondContact O-CA 3.11Å; K232-T277 PolarHBondContact N-O 3.14Å; K232-T277 PolarHBondContact O-N 3.22Å
233I96.2Very high81.8Confident0 Ų057.7 Ų57.70%029%0.294CS..EExtended strand (participates in β ladder)trans-109.9128.2-177.2-53.394.1000108.8V203 V205 V231 S242 K243 T245 Y260 F262 L274 L276V203-I233 HydrophobicContact CB-CG2 4.5Å; V203-I233 HydrophobicContact CG1-CG2 4.19Å; V205-I233 HydrophobicContact CG2-CD1 4.09Å; V205-I233 HydrophobicContact CG2-CG1 3.9Å; V231-I233 WeakPolarHBondContact O-CD1 3.15Å; I233-S242 CarbonylContact O-C 3.57Å; I233-S242 WeakPolarHBondContact O-CA 3.23Å; I233-S242 WeakPolarHBondContact O-CB 3.29Å; I233-K243 HydrophobicContact CB-CB 4.48Å; I233-K243 PolarHBondContact N-O 2.77Å; I233-K243 PolarHBondContact O-N 2.91Å; I233-T245 HydrophobicContact CD1-CG2 4.29Å; I233-Y260 HydrophobicContact CD1-CD2 3.74Å; I233-Y260 HydrophobicContact CD1-CE2 3.62Å; I233-Y260 HydrophobicContact CD1-CG 4.41Å; I233-Y260 HydrophobicContact CG1-CD2 4.25Å; I233-F262 HydrophobicContact CB-CZ 4.4Å; I233-F262 HydrophobicContact CG2-CE2 3.84Å; I233-F262 HydrophobicContact CG2-CZ 3.7Å; I233-L274 HydrophobicContact CG2-CD1 3.8Å; I233-L276 HydrophobicContact CB-CD2 4.06Å; I233-L276 HydrophobicContact CG1-CD2 3.64Å; I233-L276 HydrophobicContact CG2-CD2 3.85Å
234C93.4Very high83.9Confident7 Ų758 Ų585%0.04729%0.291CS..EExtended strand (participates in β ladder)trans-141.9145.5-174.3-179.10000111.2D238 L275C234-D238 PolarHBondContact SG-O 3.4Å; C234-L275 HydrophobicContact CB-CB 4.21Å; C234-L275 PolarHBondContact N-O 2.94Å; C234-L275 PolarHBondContact O-N 3.18Å
235L92.3Very high85.7Confident9 Ų955.6 Ų55.65%0.04728%0.28CS..EExtended strand (participates in β ladder)trans-116.286.5177.9-67-175.6000110.8L201 D238 F262 I264 R272 L274 L297L201-L235 HydrophobicContact CD2-CD1 4.11Å; L201-L235 HydrophobicContact CD2-CD2 4.07Å; L235-D238 PolarHBondContact O-N 2.59Å; L235-F262 HydrophobicContact CD1-CB 3.69Å; L235-F262 HydrophobicContact CD1-CD1 3.61Å; L235-F262 HydrophobicContact CD1-CD2 3.96Å; L235-F262 HydrophobicContact CD1-CE1 4.18Å; L235-F262 HydrophobicContact CD1-CE2 4.48Å; L235-F262 HydrophobicContact CD1-CG 3.48Å; L235-F262 VanDerWaalsContact CD1-CG 3.48Å; L235-F262 HydrophobicContact CG-CD1 4.15Å; L235-F262 HydrophobicContact CG-CD2 4.5Å; L235-F262 HydrophobicContact CG-CE1 4.21Å; L235-F262 HydrophobicContact CG-CG 4.3Å; L235-F262 HydrophobicContact CG-CZ 4.42Å; L235-I264 HydrophobicContact CD1-CD1 3.72Å; L235-R272 HydrophobicContact CB-CB 4.48Å; L235-R272 PolarHBondContact O-NH1 3.28Å; L235-L274 HydrophobicContact CD2-CB 4.21Å; L235-L274 HydrophobicContact CD2-CD1 3.88Å; L235-L297 HydrophobicContact CD2-CD1 4.16Å
236L87.8Confident87.3Confident44 Ų4456.2 Ų56.223%0.2329%0.289CS..EExtended strand (participates in β ladder)trans-58.1141-178.3-60.5178.7000111Q239 R272 T273 L275L236-Q239 HydrophobicContact CD2-CG 3.77Å; L236-R272 WeakPolarHBondContact O-CA 3.38Å; L236-R272 WeakPolarHBondContact O-CD 3.3Å; L236-T273 PolarHBondContact N-O 2.94Å; L236-T273 PolarHBondContact O-N 2.6Å; L236-L275 HydrophobicContact CD1-CB 4.09Å; L236-L275 HydrophobicContact CD1-CD2 4.22Å; L236-L275 HydrophobicContact CD2-CD2 4.29Å; L236-L275 HydrophobicContact CG-CB 4.1Å; L236-L275 HydrophobicContact CG-CD2 4.43Å
237P80.7Confident88.4Confident111 Ų11154.5 Ų54.572%0.72128%0.284SS*.THydrogen-bonded Turncis-82.5-0.29.232.9-37.9000116.1Q239P237-Q239 PolarHBondContact O-N 3.07Å
238D75.1Confident89Confident46 Ų4657.3 Ų57.325%0.24630%0.296CS..EExtended strand (participates in β ladder)trans-84.699.1-178-177.85.5000111.8C234 L235 K240 N241C234-D238 PolarHBondContact SG-O 3.4Å; L235-D238 PolarHBondContact O-N 2.59Å; D238-K240 WeakPolarHBondContact OD1-CB 3.27Å; D238-K240 PolarHBondContact OD1-N 2.99Å; D238-N241 PolarHBondContact OD1-N 2.96Å; D238-N241 PolarHBondContact OD2-ND2 3.44Å
239Q69.6Low89.1Confident134 Ų13465 Ų6563%0.62632%0.322SS*.EExtended strand (participates in β ladder)trans-83.6-10.2176.3-65.5-177.1-12.500114.4L236 P237L236-Q239 HydrophobicContact CD2-CG 3.77Å; P237-Q239 PolarHBondContact O-N 3.07Å
240K67.8Low88.9Confident191 Ų19170 Ų7083%0.8334%0.344SS*.EExtended strand (participates in β ladder)trans-82-38.6-174.8-65.9-176.5179.1-179.80111.7D238 S242D238-K240 WeakPolarHBondContact OD1-CB 3.27Å; D238-K240 PolarHBondContact OD1-N 2.99Å; K240-S242 PolarHBondContact O-N 2.58Å
241N77.1Confident88.6Confident112 Ų11270.4 Ų70.460%0.59935%0.35SS*.EExtended strand (participates in β ladder)trans-82.537.5179.8-72.1-41.5000113.5D238D238-N241 PolarHBondContact OD1-N 2.96Å; D238-N241 PolarHBondContact OD2-ND2 3.44Å
242S87.8Confident88.2Confident43 Ų4371.9 Ų71.930%0.30136%0.357SS..EExtended strand (participates in β ladder)trans-75.4142.2178.968.60000112.6K232 I233 K240K232-S242 VanDerWaalsContact CE-CB 3.5Å; K232-S242 WeakPolarHBondContact CE-OG 3.11Å; I233-S242 CarbonylContact O-C 3.57Å; I233-S242 WeakPolarHBondContact O-CA 3.23Å; I233-S242 WeakPolarHBondContact O-CB 3.29Å; K240-S242 PolarHBondContact O-N 2.58Å
243K92.7Very high88.1Confident77 Ų7773.7 Ų73.734%0.33536%0.364SS..EExtended strand (participates in β ladder)trans-112166.3175.3-58.9-171.7175.4-161.30110.1K232 I233 Y260 T261 F262K232-K243 CarbonylContact C-O 3.55Å; K232-K243 WeakPolarHBondContact CA-O 3.41Å; I233-K243 HydrophobicContact CB-CB 4.48Å; I233-K243 PolarHBondContact N-O 2.77Å; I233-K243 PolarHBondContact O-N 2.91Å; K243-Y260 HydrophobicContact CB-CD1 3.87Å; K243-Y260 HydrophobicContact CB-CE1 4.37Å; K243-Y260 HydrophobicContact CB-CG 4.26Å; K243-Y260 HydrophobicContact CD-CD1 3.93Å; K243-Y260 HydrophobicContact CD-CG 4.3Å; K243-Y260 HydrophobicContact CG-CD1 4.49Å; K243-T261 PolarHBondContact NZ-O 3.14Å; K243-F262 HydrophobicContact CB-CZ 4.33Å; K243-F262 HydrophobicContact CD-CE1 3.92Å; K243-F262 HydrophobicContact CD-CE2 4.4Å; K243-F262 HydrophobicContact CD-CZ 3.83Å; K243-F262 HydrophobicContact CG-CE1 4Å; K243-F262 HydrophobicContact CG-CZ 3.97Å
244Q95Very high88.1Confident122 Ų12273.8 Ų73.857%0.5737%0.365SS*.EExtended strand (participates in β ladder)trans-148152-179.969.7-175.214.900113.1Y230 V231 Y260Y230-Q244 HydrophobicContact CD2-CB 4.37Å; V231-Q244 CarbonylContact O-C 3.55Å; V231-Q244 VanDerWaalsContact O-CA 3.25Å; V231-Q244 WeakPolarHBondContact O-CA 3.49Å; Q244-Y260 PolarHBondContact O-OH 2.72Å
245T97.3Very high88.3Confident8 Ų877.1 Ų77.15%0.04939%0.385CS..PPolyproline II helixtrans-79164174.271.30000113.5V205 Y230 V231 I233 F256 E258 Y260V205-T245 HydrophobicContact CB-CG2 4.04Å; V205-T245 HydrophobicContact CG1-CG2 4.16Å; V205-T245 HydrophobicContact CG2-CG2 4.16Å; Y230-T245 WeakPolarHBondContact CA-OG1 3.45Å; V231-T245 HydrophobicContact CB-CG2 3.97Å; V231-T245 PolarHBondContact N-OG1 3.22Å; V231-T245 PolarHBondContact O-N 2.67Å; I233-T245 HydrophobicContact CD1-CG2 4.29Å; T245-F256 HydrophobicContact CG2-CB 4.48Å; T245-F256 HydrophobicContact CG2-CD1 4.02Å; T245-F256 HydrophobicContact CG2-CG 4.33Å; T245-F256 WeakPolarHBondContact OG1-CD1 3.44Å; T245-F256 WeakPolarHBondContact OG1-CE1 3.46Å; T245-E258 VanDerWaalsContact CA-OE2 3.31Å; T245-E258 WeakPolarHBondContact CA-OE2 3.49Å; T245-E258 HydrophobicContact CG2-CB 4.46Å; T245-Y260 WeakPolarHBondContact CA-OH 3.5Å; T245-Y260 HydrophobicContact CG2-CE2 4.11Å
246G94.9Very high88.5Confident34 Ų3477 Ų7735%0.35138%0.384SS..PPolyproline II helixtrans-57.7146158.300000111.4K248 E258G246-K248 PolarHBondContact O-N 3.38Å; G246-E258 PolarHBondContact N-OE1 3.26Å; G246-E258 PolarHBondContact N-OE2 3.04Å
247V95.5Very high88.9Confident52 Ų5279.2 Ų79.232%0.31539%0.393SS..PPolyproline II helixtrans-76117.91741760000109.3N228 Y230 R249 F281N228-V247 HydrophobicContact CB-CG1 3.83Å; N228-V247 WeakPolarHBondContact O-CG1 3.34Å; Y230-V247 HydrophobicContact CD1-CG2 4.13Å; Y230-V247 HydrophobicContact CG-CG2 4.24Å; V247-R249 HydrophobicContact CG1-CG 4.41Å; V247-F281 HydrophobicContact CB-CB 4.49Å; V247-F281 HydrophobicContact CG1-CB 3.67Å; V247-F281 HydrophobicContact CG1-CD1 4.18Å; V247-F281 HydrophobicContact CG1-CG 3.94Å; V247-F281 HydrophobicContact CG2-CB 3.94Å; V247-F281 HydrophobicContact CG2-CD2 3.87Å; V247-F281 HydrophobicContact CG2-CG 3.92Å
248K95.3Very high89.7Confident60 Ų6076.1 Ų76.126%0.26137%0.369SS..PPolyproline II helixtrans-90.1119.4173-54.1-65.5163.3139.60107.3N228 P229 G246 T251 P254 V255 F256 E258N228-K248 CarbonylContact C-O 3.59Å; N228-K248 VanDerWaalsContact C-O 3.22Å; N228-K248 WeakPolarHBondContact CA-O 3.26Å; P229-K248 VanDerWaalsContact CD-O 3.25Å; P229-K248 WeakPolarHBondContact CD-O 3.49Å; P229-K248 PolarHBondContact O-N 3.12Å; G246-K248 PolarHBondContact O-N 3.38Å; K248-T251 HydrophobicContact CB-CG2 3.96Å; K248-P254 HydrophobicContact CB-CB 3.85Å; K248-P254 HydrophobicContact CG-CB 3.98Å; K248-V255 WeakPolarHBondContact CD-O 3.26Å; K248-V255 VanDerWaalsContact CE-O 3.3Å; K248-V255 WeakPolarHBondContact CE-O 3.33Å; K248-V255 PolarHBondContact NZ-O 3.12Å; K248-F256 HydrophobicContact CB-CE1 4.46Å; K248-F256 HydrophobicContact CD-CD1 4.45Å; K248-F256 HydrophobicContact CG-CD1 3.73Å; K248-F256 HydrophobicContact CG-CE1 3.6Å; K248-F256 HydrophobicContact CG-CZ 4.42Å; K248-F256 PolarHBondContact NZ-O 2.49Å; K248-E258 WeakPolarHBondContact CE-OE1 3.35Å; K248-E258 IonicContact NZ-OE1 2.67Å; K248-E258 PolarHBondContact NZ-OE1 3.47Å
249R91.6Very high90.7Very high201 Ų20182.3 Ų82.376%0.75839%0.389SS*.PPolyproline II helixtrans-88.1146.7-170.6-65.8-177.6-179172.91.6112.6N228 V247 T251N228-R249 VanDerWaalsContact OD1-CA 3.31Å; N228-R249 WeakPolarHBondContact OD1-CA 3.39Å; V247-R249 HydrophobicContact CG1-CG 4.41Å; R249-T251 PolarHBondContact O-N 2.69Å
250K88.5Confident92Very high105 Ų10577.5 Ų77.546%0.45737%0.365SS..SBendtrans45.254.3173.1-64.7-172.8168.6-170.80113.6D223 H226 S227 N228D223-K250 IonicContact OD1-NZ 3.65Å; D223-K250 PolarHBondContact OD1-NZ 3.42Å; H226-K250 VanDerWaalsContact CB-C 3.43Å; H226-K250 VanDerWaalsContact CB-CA 3.46Å; H226-K250 HydrophobicContact CB-CB 3.89Å; H226-K250 HydrophobicContact CB-CG 4.45Å; S227-K250 CarbonylContact O-C 3.5Å; S227-K250 VanDerWaalsContact O-CA 3.31Å; S227-K250 WeakPolarHBondContact O-CA 3.4Å; S227-K250 PolarHBondContact O-N 2.83Å; S227-K250 VanDerWaalsContact O-N 3.13Å; N228-K250 PolarHBondContact OD1-N 3.25Å
251T90.5Very high93.4Very high36 Ų3671.3 Ų71.322%0.22134%0.344CS..  trans-148.5141.8178-1780000113.2S227 P229 K248 R249 K253 P254S227-T251 PolarHBondContact O-N 2.6Å; P229-T251 VanDerWaalsContact CD-O 3.3Å; P229-T251 WeakPolarHBondContact CD-O 3.28Å; P229-T251 HydrophobicContact CG-CG2 4.32Å; K248-T251 HydrophobicContact CB-CG2 3.96Å; R249-T251 PolarHBondContact O-N 2.69Å; T251-K253 VanDerWaalsContact OG1-C 3.3Å; T251-K253 PolarHBondContact OG1-N 2.62Å; T251-K253 PolarHBondContact OG1-O 2.93Å; T251-P254 HydrophobicContact CG2-CB 3.9Å
252Q89.1Confident94.2Very high31 Ų3166.6 Ų66.615%0.14532%0.318CS..SBendtrans-99.60.3167.4-56.3-52.1-6.300113.9D210 L211 P212 S227 P254D210-Q252 PolarHBondContact N-O 2.89Å; L211-Q252 HydrophobicContact CB-CB 4.3Å; L211-Q252 PolarHBondContact N-O 2.84Å; L211-Q252 WeakPolarHBondContact O-CB 3.37Å; L211-Q252 WeakPolarHBondContact O-CG 3.41Å; L211-Q252 PolarHBondContact O-OE1 2.74Å; P212-Q252 VanDerWaalsContact O-CD 3.3Å; P212-Q252 PolarHBondContact O-NE2 2.83Å; P212-Q252 PolarHBondContact O-OE1 3.19Å; S227-Q252 PolarHBondContact OG-NE2 2.8Å; S227-Q252 PolarHBondContact OG-OE1 3.34Å; Q252-P254 VanDerWaalsContact C-CD 3.44Å
253K92.4Very high94.5Very high125 Ų12572.9 Ų72.954%0.54334%0.342SS..SBendtrans-13165177-57.1-166.5179.9-152.20108.7A208 D210 T251A208-K253 CarbonylContact O-C 3.54Å; A208-K253 WeakPolarHBondContact O-CA 3.38Å; D210-K253 WeakPolarHBondContact OD1-CE 3.42Å; D210-K253 IonicContact OD1-NZ 3.94Å; D210-K253 PolarHBondContact OD1-NZ 3.39Å; T251-K253 VanDerWaalsContact OG1-C 3.3Å; T251-K253 PolarHBondContact OG1-N 2.62Å; T251-K253 PolarHBondContact OG1-O 2.93Å
254P95.6Very high94.5Very high1 Ų170.3 Ų70.31%0.00633%0.332CS..  trans-71.3131.3-177.530.6-37.8000111.4E207 A208 L211 P229 K248 T251 Q252 F256E207-P254 CarbonylContact C-O 3.52Å; E207-P254 WeakPolarHBondContact CA-O 3.26Å; E207-P254 WeakPolarHBondContact CB-O 3.48Å; A208-P254 HydrophobicContact CB-CG 3.82Å; A208-P254 PolarHBondContact N-O 2.97Å; A208-P254 WeakPolarHBondContact O-CD 3.21Å; L211-P254 HydrophobicContact CD1-CG 3.87Å; P229-P254 HydrophobicContact CB-CG 4.15Å; P229-P254 HydrophobicContact CG-CB 3.65Å; P229-P254 HydrophobicContact CG-CG 3.5Å; K248-P254 HydrophobicContact CB-CB 3.85Å; K248-P254 HydrophobicContact CG-CB 3.98Å; T251-P254 HydrophobicContact CG2-CB 3.9Å; Q252-P254 VanDerWaalsContact C-CD 3.44Å; P254-F256 HydrophobicContact CB-CD2 4.43Å; P254-F256 HydrophobicContact CB-CE1 4.17Å; P254-F256 HydrophobicContact CB-CE2 3.74Å; P254-F256 HydrophobicContact CB-CZ 3.59Å; P254-F256 HydrophobicContact CG-CD2 4.49Å; P254-F256 HydrophobicContact CG-CE2 3.53Å; P254-F256 HydrophobicContact CG-CZ 3.61Å
255V97.1Very high94.5Very high78 Ų7868.1 Ų68.147%0.47333%0.328SS..EExtended strand (participates in β ladder)trans-99.3113.9165.2-1770000107.9E207 K248 E257E207-V255 HydrophobicContact CB-CG2 4.27Å; K248-V255 WeakPolarHBondContact CD-O 3.26Å; K248-V255 VanDerWaalsContact CE-O 3.3Å; K248-V255 WeakPolarHBondContact CE-O 3.33Å; K248-V255 PolarHBondContact NZ-O 3.12Å; V255-E257 HydrophobicContact CG1-CG 3.81Å
256F97.1Very high94.3Very high6 Ų670.1 Ų70.13%0.02634%0.336CS..EExtended strand (participates in β ladder)trans-85.4-62.4-179.9-63.9-73.9000110.5V205 I206 A208 P229 V231 T245 K248 P254 E258V205-F256 HydrophobicContact CB-CB 4.35Å; V205-F256 HydrophobicContact CG1-CB 3.99Å; V205-F256 HydrophobicContact CG1-CD2 3.67Å; V205-F256 HydrophobicContact CG1-CE2 4.39Å; V205-F256 HydrophobicContact CG1-CG 3.92Å; V205-F256 WeakPolarHBondContact O-CB 3.47Å; I206-F256 WeakPolarHBondContact O-CA 3.45Å; I206-F256 PolarHBondContact O-N 2.85Å; A208-F256 HydrophobicContact CB-CE2 4.38Å; P229-F256 HydrophobicContact CB-CZ 4.32Å; V231-F256 HydrophobicContact CG2-CD2 4.26Å; V231-F256 HydrophobicContact CG2-CE1 4.32Å; V231-F256 HydrophobicContact CG2-CE2 3.72Å; V231-F256 HydrophobicContact CG2-CZ 3.76Å; T245-F256 HydrophobicContact CG2-CB 4.48Å; T245-F256 HydrophobicContact CG2-CD1 4.02Å; T245-F256 HydrophobicContact CG2-CG 4.33Å; T245-F256 WeakPolarHBondContact OG1-CD1 3.44Å; T245-F256 WeakPolarHBondContact OG1-CE1 3.46Å; K248-F256 HydrophobicContact CB-CE1 4.46Å; K248-F256 HydrophobicContact CD-CD1 4.45Å; K248-F256 HydrophobicContact CG-CD1 3.73Å; K248-F256 HydrophobicContact CG-CE1 3.6Å; K248-F256 HydrophobicContact CG-CZ 4.42Å; K248-F256 PolarHBondContact NZ-O 2.49Å; P254-F256 HydrophobicContact CB-CD2 4.43Å; P254-F256 HydrophobicContact CB-CE1 4.17Å; P254-F256 HydrophobicContact CB-CE2 3.74Å; P254-F256 HydrophobicContact CB-CZ 3.59Å; P254-F256 HydrophobicContact CG-CD2 4.49Å; P254-F256 HydrophobicContact CG-CE2 3.53Å; P254-F256 HydrophobicContact CG-CZ 3.61Å; F256-E258 VanDerWaalsContact C-N 3.29Å
257E96.6Very high94.2Very high91 Ų9174.7 Ų74.743%0.42535%0.352SS..EExtended strand (participates in β ladder)trans55.238.5-174.2-77.2-73-157.300114.8R204 V205 I206 V255R204-E257 IonicContact CZ-OE1 3.74Å; R204-E257 IonicContact CZ-OE2 2.81Å; R204-E257 IonicContact NE-OE2 3.96Å; R204-E257 PolarHBondContact NE-OE2 1.79Å; R204-E257 IonicContact NH2-OE1 3.36Å; R204-E257 PolarHBondContact NH2-OE1 2.96Å; R204-E257 IonicContact NH2-OE2 2.74Å; R204-E257 PolarHBondContact NH2-OE2 2.86Å; V205-E257 WeakPolarHBondContact O-CA 3.45Å; V205-E257 PolarHBondContact O-N 2.97Å; V205-E257 VanDerWaalsContact O-N 3.12Å; I206-E257 PolarHBondContact O-N 3.03Å; V255-E257 HydrophobicContact CG1-CG 3.81Å
258E97.4Very high94.1Very high46 Ų4675.8 Ų75.822%0.21535%0.354CS..EExtended strand (participates in β ladder)trans-109.5140.5-175-70.9168.5-11700111.1R204 V205 T245 G246 K248 F256 Y260R204-E258 CarbonylContact C-O 3.52Å; R204-E258 VanDerWaalsContact CA-O 3.3Å; R204-E258 WeakPolarHBondContact CA-O 3.42Å; V205-E258 PolarHBondContact N-O 2.96Å; V205-E258 PolarHBondContact O-N 2.85Å; T245-E258 VanDerWaalsContact CA-OE2 3.31Å; T245-E258 WeakPolarHBondContact CA-OE2 3.49Å; T245-E258 HydrophobicContact CG2-CB 4.46Å; G246-E258 PolarHBondContact N-OE1 3.26Å; G246-E258 PolarHBondContact N-OE2 3.04Å; K248-E258 WeakPolarHBondContact CE-OE1 3.35Å; K248-E258 IonicContact NZ-OE1 2.67Å; K248-E258 PolarHBondContact NZ-OE1 3.47Å; F256-E258 VanDerWaalsContact C-N 3.29Å; E258-Y260 HydrophobicContact CB-CE2 3.92Å; E258-Y260 WeakPolarHBondContact CB-OH 3.28Å; E258-Y260 PolarHBondContact OE2-OH 3.37Å
259R96.6Very high94Very high175 Ų17572.9 Ų72.966%0.6634%0.341SS*.EExtended strand (participates in β ladder)trans-119.6137.2-175.8-64.2-179.9-171.3178.82.6111.3R204R204-R259 HydrophobicContact CB-CG 3.99Å; R204-R259 HydrophobicContact CG-CG 3.79Å
260Y97Very high94.1Very high34 Ų3466.5 Ų66.513%0.13332%0.32CS..EExtended strand (participates in β ladder)trans-131.1126-179.2-58-77.8000110.9T202 V203 V205 I233 K243 Q244 T245 E258T202-Y260 CarbonylContact C-O 3.59Å; T202-Y260 WeakPolarHBondContact CA-O 3.43Å; V203-Y260 PolarHBondContact N-O 2.72Å; V203-Y260 PolarHBondContact O-N 3.27Å; V205-Y260 HydrophobicContact CG2-CE2 4.45Å; I233-Y260 HydrophobicContact CD1-CD2 3.74Å; I233-Y260 HydrophobicContact CD1-CE2 3.62Å; I233-Y260 HydrophobicContact CD1-CG 4.41Å; I233-Y260 HydrophobicContact CG1-CD2 4.25Å; K243-Y260 HydrophobicContact CB-CD1 3.87Å; K243-Y260 HydrophobicContact CB-CE1 4.37Å; K243-Y260 HydrophobicContact CB-CG 4.26Å; K243-Y260 HydrophobicContact CD-CD1 3.93Å; K243-Y260 HydrophobicContact CD-CG 4.3Å; K243-Y260 HydrophobicContact CG-CD1 4.49Å; Q244-Y260 PolarHBondContact O-OH 2.72Å; T245-Y260 WeakPolarHBondContact CA-OH 3.5Å; T245-Y260 HydrophobicContact CG2-CE2 4.11Å; E258-Y260 HydrophobicContact CB-CE2 3.92Å; E258-Y260 WeakPolarHBondContact CB-OH 3.28Å; E258-Y260 PolarHBondContact OE2-OH 3.37Å
261T95.4Very high94.3Very high61 Ų6171.9 Ų71.937%0.37434%0.338SS..EExtended strand (participates in β ladder)trans-94.9142.4173.751.80000110.7L201 K243L201-T261 CarbonylContact O-C 3.45Å; L201-T261 WeakPolarHBondContact O-CA 3.49Å; K243-T261 PolarHBondContact NZ-O 3.14Å
262F94.3Very high94.4Very high12 Ų1272.1 Ų72.15%0.05333%0.334CS..EExtended strand (participates in β ladder)trans-124.3115.9171.9-65.7-93.3000108.4H200 L201 V203 I233 L235 K243 I264H200-F262 CarbonylContact C-O 3.6Å; H200-F262 WeakPolarHBondContact CA-O 3.47Å; H200-F262 WeakPolarHBondContact CB-O 3.47Å; L201-F262 HydrophobicContact CB-CB 4.41Å; L201-F262 PolarHBondContact N-O 2.81Å; L201-F262 PolarHBondContact O-N 3.33Å; V203-F262 HydrophobicContact CB-CE2 4.39Å; V203-F262 HydrophobicContact CG2-CD2 4.17Å; V203-F262 HydrophobicContact CG2-CE2 4Å; I233-F262 HydrophobicContact CB-CZ 4.4Å; I233-F262 HydrophobicContact CG2-CE2 3.84Å; I233-F262 HydrophobicContact CG2-CZ 3.7Å; L235-F262 HydrophobicContact CD1-CB 3.69Å; L235-F262 HydrophobicContact CD1-CD1 3.61Å; L235-F262 HydrophobicContact CD1-CD2 3.96Å; L235-F262 HydrophobicContact CD1-CE1 4.18Å; L235-F262 HydrophobicContact CD1-CE2 4.48Å; L235-F262 HydrophobicContact CD1-CG 3.48Å; L235-F262 VanDerWaalsContact CD1-CG 3.48Å; L235-F262 HydrophobicContact CG-CD1 4.15Å; L235-F262 HydrophobicContact CG-CD2 4.5Å; L235-F262 HydrophobicContact CG-CE1 4.21Å; L235-F262 HydrophobicContact CG-CG 4.3Å; L235-F262 HydrophobicContact CG-CZ 4.42Å; K243-F262 HydrophobicContact CB-CZ 4.33Å; K243-F262 HydrophobicContact CD-CE1 3.92Å; K243-F262 HydrophobicContact CD-CE2 4.4Å; K243-F262 HydrophobicContact CD-CZ 3.83Å; K243-F262 HydrophobicContact CG-CE1 4Å; K243-F262 HydrophobicContact CG-CZ 3.97Å; F262-I264 HydrophobicContact CB-CG1 4.49Å; F262-I264 PolarHBondContact O-N 2.92Å; F262-I264 VanDerWaalsContact O-N 3.08Å
263E93.8Very high94.7Very high175 Ų17572.5 Ų72.582%0.81834%0.339SS*.EExtended strand (participates in β ladder)trans-76.491.8178.4-67.8170.3-157.200109.1
264I92.8Very high94.8Very high24 Ų2466.6 Ų66.612%0.12331%0.313CS..  trans-143.1142.6-179.356.3176.9000109.3Y194 L201 L235 F262 A269Y194-I264 VanDerWaalsContact CE2-O 3.26Å; Y194-I264 WeakPolarHBondContact CE2-O 3.48Å; Y194-I264 PolarHBondContact OH-O 3.01Å; L201-I264 HydrophobicContact CB-CD1 4.23Å; L201-I264 HydrophobicContact CB-CG1 4.29Å; L201-I264 HydrophobicContact CD2-CD1 4.32Å; L235-I264 HydrophobicContact CD1-CD1 3.72Å; F262-I264 HydrophobicContact CB-CG1 4.49Å; F262-I264 PolarHBondContact O-N 2.92Å; F262-I264 VanDerWaalsContact O-N 3.08Å; I264-A269 HydrophobicContact CD1-CB 3.63Å; I264-A269 HydrophobicContact CG1-CB 4.03Å
265P94.8Very high94.8Very high75 Ų7567.9 Ų67.949%0.48732%0.32SS..  trans-62149.9174.9-22.533.5000113L267 E268 A269P265-L267 PolarHBondContact O-N 3.23Å; P265-E268 HydrophobicContact CB-CB 4.35Å; P265-E268 CarbonylContact O-C 3.57Å; P265-E268 WeakPolarHBondContact O-CA 3.27Å; P265-E268 WeakPolarHBondContact O-CB 3.46Å; P265-E268 PolarHBondContact O-N 3.37Å; P265-A269 PolarHBondContact O-N 2.84Å
266F94.3Very high94.7Very high50 Ų5064.2 Ų64.222%0.21930%0.297CS..Hα-helixtrans-56-47.6-176.1179.9-98.5000113.6Y194 L196 E268 A269 Q270 L302 V303Y194-F266 HydrophobicContact CD1-CB 4.43Å; Y194-F266 AromaticContact CD1-CD2 3.65Å; Y194-F266 HydrophobicContact CD1-CD2 3.65Å; Y194-F266 HydrophobicContact CD1-CE2 4.47Å; Y194-F266 HydrophobicContact CD2-CD2 4.24Å; Y194-F266 HydrophobicContact CE1-CB 3.85Å; Y194-F266 AromaticContact CE1-CD2 3.95Å; Y194-F266 HydrophobicContact CE1-CD2 3.95Å; Y194-F266 HydrophobicContact CE1-CG 4.4Å; Y194-F266 HydrophobicContact CE2-CB 4.27Å; Y194-F266 HydrophobicContact CE2-CD2 4.49Å; Y194-F266 AromaticContact CG-CD2 3.82Å; Y194-F266 HydrophobicContact CG-CD2 3.82Å; Y194-F266 HydrophobicContact CG-CE2 4.49Å; Y194-F266 PolarHBondContact OH-N 3.23Å; L196-F266 HydrophobicContact CD2-CB 4.33Å; L196-F266 HydrophobicContact CD2-CD2 3.82Å; L196-F266 HydrophobicContact CD2-CE2 4.34Å; L196-F266 HydrophobicContact CD2-CG 4.09Å; F266-E268 PolarHBondContact O-N 2.9Å; F266-A269 WeakPolarHBondContact O-CB 3.41Å; F266-A269 PolarHBondContact O-N 2.95Å; F266-A269 VanDerWaalsContact O-N 3.16Å; F266-Q270 HydrophobicContact CD1-CG 4.49Å; F266-Q270 HydrophobicContact CE1-CG 4.07Å; F266-Q270 VanDerWaalsContact CE1-OE1 3.3Å; F266-Q270 HydrophobicContact CZ-CG 4.14Å; F266-Q270 PolarHBondContact O-N 2.89Å; F266-L302 HydrophobicContact CE2-CB 4.04Å; F266-L302 HydrophobicContact CE2-CD1 4.42Å; F266-V303 HydrophobicContact CE2-CG2 3.74Å; F266-V303 HydrophobicContact CZ-CG2 3.96Å
267L93.4Very high94.5Very high130 Ų13064.6 Ų64.668%0.68130%0.3SS*.Hα-helixtrans-65.4-24.1177.5-64.1178.1000112.9P265 R271P265-L267 PolarHBondContact O-N 3.23Å; L267-R271 WeakPolarHBondContact O-CG 3.16Å
268E92.9Very high94.4Very high75 Ų7560.2 Ų60.235%0.3528%0.28SS..Hα-helixtrans-79.3-44.6172-171.4173.3170.700110.5P265 F266 Q270 R271 R272P265-E268 HydrophobicContact CB-CB 4.35Å; P265-E268 CarbonylContact O-C 3.57Å; P265-E268 WeakPolarHBondContact O-CA 3.27Å; P265-E268 WeakPolarHBondContact O-CB 3.46Å; P265-E268 PolarHBondContact O-N 3.37Å; F266-E268 PolarHBondContact O-N 2.9Å; E268-Q270 VanDerWaalsContact C-N 3.3Å; E268-Q270 PolarHBondContact O-N 3.08Å; E268-R271 WeakPolarHBondContact O-CA 3.27Å; E268-R271 WeakPolarHBondContact O-CB 3.37Å; E268-R271 PolarHBondContact O-N 2.9Å; E268-R272 WeakPolarHBondContact O-CG 3.38Å; E268-R272 PolarHBondContact O-N 3.21Å; E268-R272 IonicContact OE1-CZ 3.3Å; E268-R272 IonicContact OE1-NE 3.48Å; E268-R272 PolarHBondContact OE1-NE 3.45Å; E268-R272 IonicContact OE1-NH2 2.93Å; E268-R272 PolarHBondContact OE1-NH2 2.78Å
269A93.1Very high94Very high0 Ų058.5 Ų58.50%027%0.272CS..Hα-helixtrans-52.9-46176.200000112Y194 I264 P265 F266 R271 R272 L297 L302Y194-A269 HydrophobicContact CD2-CB 3.96Å; Y194-A269 HydrophobicContact CE2-CB 3.98Å; I264-A269 HydrophobicContact CD1-CB 3.63Å; I264-A269 HydrophobicContact CG1-CB 4.03Å; P265-A269 PolarHBondContact O-N 2.84Å; F266-A269 WeakPolarHBondContact O-CB 3.41Å; F266-A269 PolarHBondContact O-N 2.95Å; F266-A269 VanDerWaalsContact O-N 3.16Å; A269-R271 PolarHBondContact O-N 3.16Å; A269-R271 VanDerWaalsContact O-N 3.14Å; A269-R272 PolarHBondContact O-N 2.86Å; A269-L297 VanDerWaalsContact O-CB 3.31Å; A269-L297 WeakPolarHBondContact O-CB 3.49Å; A269-L302 HydrophobicContact CB-CD1 4.08Å
270Q93.3Very high93.6Very high66 Ų6650.7 Ų50.731%0.30824%0.244SC..THydrogen-bonded Turntrans-60.3-21.8175.6-69.4-174.3-59.900114.1F266 E268 C298 L302F266-Q270 HydrophobicContact CD1-CG 4.49Å; F266-Q270 HydrophobicContact CE1-CG 4.07Å; F266-Q270 VanDerWaalsContact CE1-OE1 3.3Å; F266-Q270 HydrophobicContact CZ-CG 4.14Å; F266-Q270 PolarHBondContact O-N 2.89Å; E268-Q270 VanDerWaalsContact C-N 3.3Å; E268-Q270 PolarHBondContact O-N 3.08Å; Q270-C298 WeakPolarHBondContact O-CA 3.33Å; Q270-C298 VanDerWaalsContact O-CB 3.27Å; Q270-C298 WeakPolarHBondContact O-CB 3.04Å; Q270-C298 PolarHBondContact O-N 3.32Å; Q270-L302 HydrophobicContact CG-CD1 4.05Å
271R92.9Very high93.1Very high219 Ų21952.2 Ų52.283%0.82625%0.251SS*.THydrogen-bonded Turntrans-95.9-0.8178.6-64.2177.966.4-1640.4113.5L267 E268 A269L267-R271 WeakPolarHBondContact O-CG 3.16Å; E268-R271 WeakPolarHBondContact O-CA 3.27Å; E268-R271 WeakPolarHBondContact O-CB 3.37Å; E268-R271 PolarHBondContact O-N 2.9Å; A269-R271 PolarHBondContact O-N 3.16Å; A269-R271 VanDerWaalsContact O-N 3.14Å
272R93.3Very high92Very high40 Ų4050.6 Ų50.615%0.15124%0.241CC..  trans-93.4154.9177.6-62.4-57.5-173.2132.1-5.5111L235 L236 E268 A269 L297L235-R272 HydrophobicContact CB-CB 4.48Å; L235-R272 PolarHBondContact O-NH1 3.28Å; L236-R272 WeakPolarHBondContact O-CA 3.38Å; L236-R272 WeakPolarHBondContact O-CD 3.3Å; E268-R272 WeakPolarHBondContact O-CG 3.38Å; E268-R272 PolarHBondContact O-N 3.21Å; E268-R272 IonicContact OE1-CZ 3.3Å; E268-R272 IonicContact OE1-NE 3.48Å; E268-R272 PolarHBondContact OE1-NE 3.45Å; E268-R272 IonicContact OE1-NH2 2.93Å; E268-R272 PolarHBondContact OE1-NH2 2.78Å; A269-R272 PolarHBondContact O-N 2.86Å; R272-L297 HydrophobicContact CB-CD1 4.28Å; R272-L297 WeakPolarHBondContact O-CB 3.4Å; R272-L297 WeakPolarHBondContact O-CG 3.35Å; R272-L297 PolarHBondContact O-N 3.25Å
273T94.3Very high90.7Very high39 Ų3957.7 Ų57.724%0.23927%0.271CS..EExtended strand (participates in β ladder)trans-109.3122.9168.7-55.90000108.5L236 L275 S294 V295L236-T273 PolarHBondContact N-O 2.94Å; L236-T273 PolarHBondContact O-N 2.6Å; T273-L275 PolarHBondContact O-N 3.03Å; T273-S294 WeakPolarHBondContact CG2-OG 3.32Å; T273-V295 CarbonylContact C-O 3.51Å; T273-V295 WeakPolarHBondContact CA-O 3.35Å
274L95.4Very high88.8Confident1 Ų157.5 Ų57.51%0.00527%0.268CS..EExtended strand (participates in β ladder)trans-75.7117.2172.6173.661.8000109F190 T192 V203 I233 L235 L276 S294 V295 L297F190-L274 HydrophobicContact CD2-CD2 4.23Å; F190-L274 HydrophobicContact CE2-CD2 4.17Å; T192-L274 HydrophobicContact CG2-CD2 3.46Å; T192-L274 VanDerWaalsContact CG2-CD2 3.46Å; V203-L274 HydrophobicContact CG1-CD1 4.27Å; V203-L274 HydrophobicContact CG1-CD2 3.98Å; V203-L274 HydrophobicContact CG2-CD1 4.2Å; V203-L274 HydrophobicContact CG2-CD2 4.27Å; I233-L274 HydrophobicContact CG2-CD1 3.8Å; L235-L274 HydrophobicContact CD2-CB 4.21Å; L235-L274 HydrophobicContact CD2-CD1 3.88Å; L274-L276 HydrophobicContact CD1-CD2 4.05Å; L274-L276 HydrophobicContact CD1-CG 4.31Å; L274-L276 HydrophobicContact CD2-CD1 4.39Å; L274-L276 HydrophobicContact CD2-CG 4.44Å; L274-L276 HydrophobicContact CG-CD2 4.43Å; L274-L276 HydrophobicContact CG-CG 4.17Å; L274-S294 WeakPolarHBondContact O-CA 3.47Å; L274-V295 PolarHBondContact N-O 3.31Å; L274-V295 PolarHBondContact O-N 3.22Å; L274-L297 HydrophobicContact CB-CD1 4.46Å; L274-L297 HydrophobicContact CB-CD2 3.87Å; L274-L297 HydrophobicContact CB-CG 4.23Å
275L94.3Very high86.9Confident28 Ų2858.8 Ų58.815%0.14728%0.279CS..EExtended strand (participates in β ladder)trans-107.8120.2172177.267.9000109.1C234 L236 T273 K292C234-L275 HydrophobicContact CB-CB 4.21Å; C234-L275 PolarHBondContact N-O 2.94Å; C234-L275 PolarHBondContact O-N 3.18Å; L236-L275 HydrophobicContact CD1-CB 4.09Å; L236-L275 HydrophobicContact CD1-CD2 4.22Å; L236-L275 HydrophobicContact CD2-CD2 4.29Å; L236-L275 HydrophobicContact CG-CB 4.1Å; L236-L275 HydrophobicContact CG-CD2 4.43Å; T273-L275 PolarHBondContact O-N 3.03Å; L275-K292 HydrophobicContact CD1-CB 4.27Å; L275-K292 HydrophobicContact CD1-CD 4.31Å; L275-K292 HydrophobicContact CD1-CG 4.43Å
276L96.2Very high85.2Confident1 Ų156.9 Ų56.91%0.00526%0.262CS..EExtended strand (participates in β ladder)trans-109.5123.5171.2-60.6171.5000108.1L188 F190 V203 V205 V231 K232 I233 L274 K292 V293L188-L276 HydrophobicContact CD2-CB 3.66Å; L188-L276 HydrophobicContact CD2-CD1 3.69Å; L188-L276 HydrophobicContact CD2-CG 4.27Å; F190-L276 HydrophobicContact CB-CD1 3.89Å; F190-L276 HydrophobicContact CD1-CD1 3.59Å; F190-L276 HydrophobicContact CD2-CD1 3.67Å; F190-L276 HydrophobicContact CE1-CD1 4.04Å; F190-L276 HydrophobicContact CE2-CD1 4.1Å; F190-L276 HydrophobicContact CG-CD1 3.41Å; F190-L276 VanDerWaalsContact CG-CD1 3.41Å; F190-L276 HydrophobicContact CZ-CD1 4.28Å; V203-L276 HydrophobicContact CG1-CD2 4.48Å; V205-L276 HydrophobicContact CG2-CD2 4.42Å; V231-L276 HydrophobicContact CG1-CB 4.14Å; V231-L276 HydrophobicContact CG1-CD2 4.24Å; K232-L276 WeakPolarHBondContact O-CA 3.11Å; I233-L276 HydrophobicContact CB-CD2 4.06Å; I233-L276 HydrophobicContact CG1-CD2 3.64Å; I233-L276 HydrophobicContact CG2-CD2 3.85Å; L274-L276 HydrophobicContact CD1-CD2 4.05Å; L274-L276 HydrophobicContact CD1-CG 4.31Å; L274-L276 HydrophobicContact CD2-CD1 4.39Å; L274-L276 HydrophobicContact CD2-CG 4.44Å; L274-L276 HydrophobicContact CG-CD2 4.43Å; L274-L276 HydrophobicContact CG-CG 4.17Å; L276-K292 CarbonylContact O-C 3.45Å; L276-K292 VanDerWaalsContact O-CA 3.31Å; L276-K292 WeakPolarHBondContact O-CA 3.24Å; L276-V293 HydrophobicContact CB-CB 4.38Å; L276-V293 PolarHBondContact N-O 2.88Å; L276-V293 PolarHBondContact O-N 3.32Å
277T93.4Very high84.2Confident14 Ų1458.2 Ų58.29%0.08627%0.269CS..EExtended strand (participates in β ladder)trans-115.4117.4177.1-53.80000108.6V231 K232 V279 V289 K292V231-T277 CarbonylContact C-O 3.52Å; V231-T277 WeakPolarHBondContact CA-O 3.35Å; K232-T277 PolarHBondContact N-O 3.14Å; K232-T277 PolarHBondContact O-N 3.22Å; T277-V279 HydrophobicContact CG2-CG2 3.8Å; T277-V289 HydrophobicContact CG2-CB 4.5Å; T277-V289 HydrophobicContact CG2-CG1 3.67Å; T277-V289 HydrophobicContact CG2-CG2 4.09Å; T277-K292 HydrophobicContact CG2-CG 3.88Å
278V93.7Very high83.3Confident0 Ų054.1 Ų54.10%025%0.251CS..EExtended strand (participates in β ladder)trans-86127.6173.9-174.90000108.3L188 L211 P229 V231 I290 G291 L312L188-V278 HydrophobicContact CD1-CG2 4.13Å; L188-V278 HydrophobicContact CD2-CG2 4.02Å; L188-V278 HydrophobicContact CG-CG2 4.49Å; L211-V278 HydrophobicContact CD1-CG1 4.32Å; L211-V278 HydrophobicContact CD2-CG1 4.4Å; P229-V278 HydrophobicContact CB-CG1 4.38Å; V231-V278 HydrophobicContact CG2-CG2 4.16Å; V278-I290 HydrophobicContact CB-CB 4.42Å; V278-I290 HydrophobicContact CG1-CB 4.2Å; V278-I290 HydrophobicContact CG1-CD1 4.03Å; V278-I290 PolarHBondContact O-N 2.98Å; V278-G291 PolarHBondContact N-O 3.03Å; V278-G291 PolarHBondContact O-N 3.23Å; V278-L312 HydrophobicContact CB-CD1 4.41Å; V278-L312 HydrophobicContact CB-CD2 4.14Å; V278-L312 HydrophobicContact CG2-CD1 4.09Å; V278-L312 HydrophobicContact CG2-CD2 3.52Å; V278-L312 HydrophobicContact CG2-CG 4.46Å
279V89.6Confident82.8Confident9 Ų952.9 Ų52.96%0.05525%0.248CC..EExtended strand (participates in β ladder)trans-133.3132.9-173.3-165.80000109.4P229 Y230 T277 H287 C288 V289P229-V279 CarbonylContact C-O 3.52Å; P229-V279 WeakPolarHBondContact CA-O 3.18Å; Y230-V279 HydrophobicContact CD1-CB 4.12Å; Y230-V279 VanDerWaalsContact CD1-O 3.25Å; Y230-V279 WeakPolarHBondContact CD1-O 3.42Å; Y230-V279 HydrophobicContact CE1-CB 3.61Å; Y230-V279 HydrophobicContact CE1-CG1 3.79Å; Y230-V279 HydrophobicContact CE2-CB 4.32Å; Y230-V279 PolarHBondContact N-O 2.93Å; Y230-V279 PolarHBondContact O-N 2.87Å; T277-V279 HydrophobicContact CG2-CG2 3.8Å; V279-H287 HydrophobicContact CG1-CB 3.58Å; V279-C288 CarbonylContact C-O 3.53Å; V279-C288 WeakPolarHBondContact CA-O 3.13Å; V279-C288 WeakPolarHBondContact CG1-O 3.27Å; V279-V289 HydrophobicContact CG2-CG2 4.38Å
280D87.4Confident82.5Confident12 Ų1253.7 Ų53.76%0.06425%0.252CS..EExtended strand (participates in β ladder)trans-79.7123.2170.4-172.515.8000110P214 S227 N228 H287 C288 I290P214-D280 WeakPolarHBondContact CB-OD2 3.45Å; S227-D280 WeakPolarHBondContact CA-OD1 3.16Å; N228-D280 PolarHBondContact N-OD1 2.98Å; D280-H287 CarbonylContact O-C 3.56Å; D280-H287 WeakPolarHBondContact O-CA 3.22Å; D280-H287 VanDerWaalsContact O-CB 3.3Å; D280-H287 WeakPolarHBondContact O-CB 3.15Å; D280-C288 HydrophobicContact CB-CB 4.35Å; D280-C288 PolarHBondContact N-O 3.32Å; D280-C288 PolarHBondContact O-N 3.46Å; D280-I290 HydrophobicContact CB-CD1 3.94Å; D280-I290 HydrophobicContact CB-CG1 4.01Å
281F85.7Confident82.2Confident66 Ų6650.5 Ų50.529%0.28924%0.237SC..  trans-82.1127.4176.8176-84.7000111.4N228 Y230 V247 K283 H287N228-F281 HydrophobicContact CB-CB 4.03Å; N228-F281 WeakPolarHBondContact CB-O 3.45Å; N228-F281 PolarHBondContact ND2-O 2.82Å; N228-F281 VanDerWaalsContact ND2-O 3.13Å; N228-F281 VanDerWaalsContact O-CB 3.29Å; N228-F281 WeakPolarHBondContact O-CB 3.27Å; N228-F281 PolarHBondContact O-N 2.84Å; Y230-F281 HydrophobicContact CD1-CB 3.99Å; Y230-F281 HydrophobicContact CE1-CB 4.15Å; V247-F281 HydrophobicContact CB-CB 4.49Å; V247-F281 HydrophobicContact CG1-CB 3.67Å; V247-F281 HydrophobicContact CG1-CD1 4.18Å; V247-F281 HydrophobicContact CG1-CG 3.94Å; V247-F281 HydrophobicContact CG2-CB 3.94Å; V247-F281 HydrophobicContact CG2-CD2 3.87Å; V247-F281 HydrophobicContact CG2-CG 3.92Å; F281-K283 HydrophobicContact CE1-CB 4.14Å; F281-H287 AromaticContact CD2-CE1 3.34Å; F281-H287 WeakPolarHBondContact CD2-CE1 3.44Å; F281-H287 AromaticContact CD2-NE2 3.32Å; F281-H287 VanDerWaalsContact CD2-NE2 3.32Å; F281-H287 WeakPolarHBondContact CD2-NE2 3.21Å; F281-H287 AromaticContact CE2-CE1 3.61Å; F281-H287 AromaticContact CE2-NE2 3.37Å; F281-H287 WeakPolarHBondContact CE2-NE2 3.43Å
282D74.2Confident82.1Confident27 Ų2740.9 Ų40.914%0.14420%0.201CC..  trans-117.2141.2166.5-163.8-37.8000109.8F284 S285 H287D282-F284 PolarHBondContact OD1-N 2.87Å; D282-S285 WeakPolarHBondContact CB-OG 3.39Å; D282-S285 PolarHBondContact OD1-N 2.85Å; D282-S285 VanDerWaalsContact OD1-N 3.1Å; D282-S285 WeakPolarHBondContact OD2-CB 3.32Å; D282-S285 PolarHBondContact OD2-OG 3.07Å; D282-H287 PolarHBondContact O-CD2 2.64Å; D282-H287 PolarHBondContact O-NE2 3.4Å
283K66.4Low82.1Confident160 Ų16039.1 Ų39.170%0.69620%0.195SC*.SBendtrans-82.4-26.6177.7178.7177.8172.9-1720112.8F281F281-K283 HydrophobicContact CE1-CB 4.14Å
284F53.3Low82Confident171 Ų17139.6 Ų39.675%0.7520%0.2SC*.SBendtrans-122-14.7-168.7-54.9-70.6000113.2D282D282-F284 PolarHBondContact OD1-N 2.87Å
285S52.9Low81.9Confident51 Ų5139.9 Ų39.936%0.35720%0.202SC..SBendtrans-125.5-167.4175.590.40000111.6D282D282-S285 WeakPolarHBondContact CB-OG 3.39Å; D282-S285 PolarHBondContact OD1-N 2.85Å; D282-S285 VanDerWaalsContact OD1-N 3.1Å; D282-S285 WeakPolarHBondContact OD2-CB 3.32Å; D282-S285 PolarHBondContact OD2-OG 3.07Å
286R58.7Low81.9Confident36 Ų3640.2 Ų40.214%0.13621%0.206CC..PPolyproline II helixtrans-68.8149.5173.3-85.6-171.2163.2133-6.1111.3C288 E321 G323 Q347R286-C288 PolarHBondContact O-N 2.87Å; R286-E321 VanDerWaalsContact CZ-CB 3.49Å; R286-E321 IonicContact CZ-OE2 2.73Å; R286-E321 IonicContact NE-OE2 2.73Å; R286-E321 PolarHBondContact NE-OE2 3.49Å; R286-E321 PolarHBondContact NH1-O 3.2Å; R286-E321 PolarHBondContact NH2-O 2.94Å; R286-E321 IonicContact NH2-OE2 2.6Å; R286-E321 PolarHBondContact NH2-OE2 3.38Å; R286-G323 VanDerWaalsContact NH2-CA 3.28Å; R286-G323 VanDerWaalsContact NH2-N 3.12Å; R286-Q347 HydrophobicContact CG-CB 4.02Å; R286-Q347 PolarHBondContact NE-O 3.14Å; R286-Q347 PolarHBondContact NH1-O 2.74Å
287H74.4Confident81.8Confident78 Ų7840.2 Ų40.236%0.36121%0.206SC..PPolyproline II helixtrans-73.4125.9163.1-55.1-177.8000109Y230 V279 D280 F281 D282Y230-H287 HydrophobicContact CE1-CB 4.41Å; Y230-H287 AromaticContact CE1-ND1 3.51Å; Y230-H287 AromaticContact CZ-ND1 3.56Å; Y230-H287 PolarHBondContact OH-ND1 3.09Å; V279-H287 HydrophobicContact CG1-CB 3.58Å; D280-H287 CarbonylContact O-C 3.56Å; D280-H287 WeakPolarHBondContact O-CA 3.22Å; D280-H287 VanDerWaalsContact O-CB 3.3Å; D280-H287 WeakPolarHBondContact O-CB 3.15Å; F281-H287 AromaticContact CD2-CE1 3.34Å; F281-H287 WeakPolarHBondContact CD2-CE1 3.44Å; F281-H287 AromaticContact CD2-NE2 3.32Å; F281-H287 VanDerWaalsContact CD2-NE2 3.32Å; F281-H287 WeakPolarHBondContact CD2-NE2 3.21Å; F281-H287 AromaticContact CE2-CE1 3.61Å; F281-H287 AromaticContact CE2-NE2 3.37Å; F281-H287 WeakPolarHBondContact CE2-NE2 3.43Å; D282-H287 PolarHBondContact O-CD2 2.64Å; D282-H287 PolarHBondContact O-NE2 3.4Å
288C73.4Confident81.8Confident43 Ų4343.5 Ų43.529%0.29123%0.228SC..EExtended strand (participates in β ladder)trans-92.7126.4-177.2-70.70000110.7I215 V279 D280 R286 I290I215-C288 HydrophobicContact CD1-CB 4.46Å; V279-C288 CarbonylContact C-O 3.53Å; V279-C288 WeakPolarHBondContact CA-O 3.13Å; V279-C288 WeakPolarHBondContact CG1-O 3.27Å; D280-C288 HydrophobicContact CB-CB 4.35Å; D280-C288 PolarHBondContact N-O 3.32Å; D280-C288 PolarHBondContact O-N 3.46Å; R286-C288 PolarHBondContact O-N 2.87Å; C288-I290 PolarHBondContact O-N 3.02Å
289V83.9Confident81.5Confident49 Ų4950.4 Ų50.430%0.29726%0.261SS..EExtended strand (participates in β ladder)trans-67.6116.4170.6176.70000108.5T277 V279 K292T277-V289 HydrophobicContact CG2-CB 4.5Å; T277-V289 HydrophobicContact CG2-CG1 3.67Å; T277-V289 HydrophobicContact CG2-CG2 4.09Å; V279-V289 HydrophobicContact CG2-CG2 4.38Å; V289-K292 HydrophobicContact CG1-CG 4.5Å
290I85.5Confident81.6Confident17 Ų1750.7 Ų50.79%0.08726%0.262CS..EExtended strand (participates in β ladder)trans-77-42.5175.9-60.3174.8000109.4L185 L211 P212 P229 V278 D280 C288L185-I290 WeakPolarHBondContact CD1-O 3.46Å; L211-I290 HydrophobicContact CD1-CD1 4.37Å; L211-I290 HydrophobicContact CD2-CG2 4.28Å; P212-I290 HydrophobicContact CG-CG2 3.77Å; P229-I290 HydrophobicContact CB-CD1 4.38Å; V278-I290 HydrophobicContact CB-CB 4.42Å; V278-I290 HydrophobicContact CG1-CB 4.2Å; V278-I290 HydrophobicContact CG1-CD1 4.03Å; V278-I290 PolarHBondContact O-N 2.98Å; D280-I290 HydrophobicContact CB-CD1 3.94Å; D280-I290 HydrophobicContact CB-CG1 4.01Å; C288-I290 PolarHBondContact O-N 3.02Å
291G87.1Confident81.8Confident0 Ų053.7 Ų53.70%028%0.278CS..EExtended strand (participates in β ladder)trans177.4176.7178.900000112.9V278 I313V278-G291 PolarHBondContact N-O 3.03Å; V278-G291 PolarHBondContact O-N 3.23Å; G291-I313 CarbonylContact C-O 3.49Å; G291-I313 VanDerWaalsContact CA-O 3.27Å; G291-I313 WeakPolarHBondContact CA-O 3.46Å
292K90.7Very high82.1Confident16 Ų1650.7 Ų50.77%0.0727%0.265CS..EExtended strand (participates in β ladder)trans-128.1156.8-177.5-70.5176.4177.4177.40111L275 L276 T277 V289 I313 E319L275-K292 HydrophobicContact CD1-CB 4.27Å; L275-K292 HydrophobicContact CD1-CD 4.31Å; L275-K292 HydrophobicContact CD1-CG 4.43Å; L276-K292 CarbonylContact O-C 3.45Å; L276-K292 VanDerWaalsContact O-CA 3.31Å; L276-K292 WeakPolarHBondContact O-CA 3.24Å; T277-K292 HydrophobicContact CG2-CG 3.88Å; V289-K292 HydrophobicContact CG1-CG 4.5Å; K292-I313 HydrophobicContact CB-CG1 4.24Å; K292-I313 PolarHBondContact N-O 3.25Å; K292-I313 WeakPolarHBondContact O-CG1 3.45Å; K292-I313 PolarHBondContact O-N 3.41Å; K292-E319 IonicContact NZ-OE1 2.73Å; K292-E319 PolarHBondContact NZ-OE1 2.59Å; K292-E319 IonicContact NZ-OE2 3.71Å; K292-E319 PolarHBondContact NZ-OE2 2.81Å
293V93.4Very high82.8Confident4 Ų452.7 Ų52.72%0.02428%0.279CS..EExtended strand (participates in β ladder)trans-132.3130165.6175.60000107.7L188 F190 L276 V295 K310 L312L188-V293 HydrophobicContact CB-CG2 4.18Å; L188-V293 HydrophobicContact CD2-CG2 4.36Å; F190-V293 HydrophobicContact CE1-CG1 3.94Å; F190-V293 HydrophobicContact CZ-CG1 4.1Å; L276-V293 HydrophobicContact CB-CB 4.38Å; L276-V293 PolarHBondContact N-O 2.88Å; L276-V293 PolarHBondContact O-N 3.32Å; V293-V295 HydrophobicContact CG1-CG2 4.17Å; V293-K310 HydrophobicContact CG1-CB 3.67Å; V293-K310 HydrophobicContact CG1-CD 3.59Å; V293-K310 HydrophobicContact CG1-CG 4.13Å; V293-K310 HydrophobicContact CG2-CB 4.06Å; V293-L312 HydrophobicContact CG2-CD2 3.89Å
294S92.7Very high84Confident48 Ų4852.9 Ų52.934%0.33628%0.279SS..EExtended strand (participates in β ladder)trans-115.1135.4175.4-169.40000109.7T273 L274T273-S294 WeakPolarHBondContact CG2-OG 3.32Å; L274-S294 WeakPolarHBondContact O-CA 3.47Å
295V93.1Very high85.6Confident7 Ų745.8 Ų45.84%0.04225%0.254CS..EExtended strand (participates in β ladder)trans-139.3113.5175.5-177.10000110.4F190 T273 L274 V293 L297 V300 K310F190-V295 HydrophobicContact CE2-CG2 4.12Å; F190-V295 HydrophobicContact CZ-CG2 3.72Å; T273-V295 CarbonylContact C-O 3.51Å; T273-V295 WeakPolarHBondContact CA-O 3.35Å; L274-V295 PolarHBondContact N-O 3.31Å; L274-V295 PolarHBondContact O-N 3.22Å; V293-V295 HydrophobicContact CG1-CG2 4.17Å; V295-L297 PolarHBondContact O-N 2.95Å; V295-V300 HydrophobicContact CG1-CG2 3.8Å; V295-K310 HydrophobicContact CG2-CD 3.9Å
296P94.4Very high87.4Confident36 Ų3644.5 Ų44.523%0.23425%0.25CC..EExtended strand (participates in β ladder)trans-62.2122.3166.5-20.934.5000110C298 E299P296-C298 VanDerWaalsContact CB-SG 3.57Å; P296-C298 PolarHBondContact O-N 2.92Å; P296-E299 HydrophobicContact CB-CG 4.33Å; P296-E299 PolarHBondContact O-N 3.46Å
297L94Very high89.1Confident0 Ų048.6 Ų48.60%027%0.27CS..THydrogen-bonded Turntrans-77.1-5.5-176.3-63.1-179.2000113.4L201 L235 A269 R272 L274 V295 E299 L302L201-L297 HydrophobicContact CD2-CD1 3.48Å; L201-L297 VanDerWaalsContact CD2-CD1 3.48Å; L235-L297 HydrophobicContact CD2-CD1 4.16Å; A269-L297 VanDerWaalsContact O-CB 3.31Å; A269-L297 WeakPolarHBondContact O-CB 3.49Å; R272-L297 HydrophobicContact CB-CD1 4.28Å; R272-L297 WeakPolarHBondContact O-CB 3.4Å; R272-L297 WeakPolarHBondContact O-CG 3.35Å; R272-L297 PolarHBondContact O-N 3.25Å; L274-L297 HydrophobicContact CB-CD1 4.46Å; L274-L297 HydrophobicContact CB-CD2 3.87Å; L274-L297 HydrophobicContact CB-CG 4.23Å; V295-L297 PolarHBondContact O-N 2.95Å; L297-E299 VanDerWaalsContact C-N 3.34Å; L297-L302 HydrophobicContact CB-CD1 4.42Å; L297-L302 HydrophobicContact CB-CD2 4.44Å; L297-L302 HydrophobicContact CD2-CD2 4.27Å
298C92.4Very high90Very high83 Ų8348.4 Ų48.456%0.56127%0.266SS*.THydrogen-bonded Turntrans-70.5-26.7168.448.60000113.4Q270 P296 V300Q270-C298 WeakPolarHBondContact O-CA 3.33Å; Q270-C298 VanDerWaalsContact O-CB 3.27Å; Q270-C298 WeakPolarHBondContact O-CB 3.04Å; Q270-C298 PolarHBondContact O-N 3.32Å; P296-C298 VanDerWaalsContact CB-SG 3.57Å; P296-C298 PolarHBondContact O-N 2.92Å; C298-V300 VanDerWaalsContact C-N 3.29Å
299E89.2Confident91Very high146 Ų14649.7 Ų49.768%0.68227%0.265SS*.SBendtrans-83.5-8.2-179.9-67166.8-164.300112.6P296 L297P296-E299 HydrophobicContact CB-CG 4.33Å; P296-E299 PolarHBondContact O-N 3.46Å; L297-E299 VanDerWaalsContact C-N 3.34Å
300V89.8Confident91.6Very high15 Ų1550.1 Ų50.19%0.09126%0.263CS..SBendtrans-105.3131.4-175.3175.60000110.4V295 C298 L302 W308V295-V300 HydrophobicContact CG1-CG2 3.8Å; C298-V300 VanDerWaalsContact C-N 3.29Å; V300-L302 HydrophobicContact CB-CD2 4.25Å; V300-L302 HydrophobicContact CG1-CD2 3.88Å; V300-L302 HydrophobicContact CG1-CG 4.44Å; V300-L302 PolarHBondContact O-N 2.83Å; V300-W308 HydrophobicContact CB-CH2 4.49Å; V300-W308 HydrophobicContact CB-CZ2 4.44Å; V300-W308 HydrophobicContact CG1-CH2 3.45Å; V300-W308 VanDerWaalsContact CG1-CH2 3.45Å; V300-W308 HydrophobicContact CG1-CZ2 3.62Å; V300-W308 HydrophobicContact CG2-CH2 4.18Å; V300-W308 HydrophobicContact CG2-CZ2 4.03Å
301D91.8Very high91.9Very high74 Ų7449.6 Ų49.640%0.39626%0.261SS..  trans-71.184.6164.7-172.5-25.1000109.6V303 K304 G305D301-V303 PolarHBondContact O-N 3.31Å; D301-V303 PolarHBondContact OD1-N 3.01Å; D301-K304 HydrophobicContact CB-CB 4.48Å; D301-K304 PolarHBondContact OD1-N 3.42Å; D301-K304 WeakPolarHBondContact OD2-CD 3.48Å; D301-K304 WeakPolarHBondContact OD2-CG 3.45Å; D301-K304 IonicContact OD2-NZ 2.69Å; D301-K304 PolarHBondContact OD2-NZ 2.88Å; D301-G305 WeakPolarHBondContact O-CA 3.46Å; D301-G305 PolarHBondContact O-N 3.08Å
302L91.9Very high92Very high3 Ų349.7 Ų49.72%0.01626%0.261CS..THydrogen-bonded Turntrans-60.7-24.3-178.3-68.3179.1000113.3Y194 L201 F266 A269 Q270 L297 V300Y194-L302 PolarHBondContact N-O 3.15Å; L201-L302 HydrophobicContact CD1-CD2 3.83Å; F266-L302 HydrophobicContact CE2-CB 4.04Å; F266-L302 HydrophobicContact CE2-CD1 4.42Å; A269-L302 HydrophobicContact CB-CD1 4.08Å; Q270-L302 HydrophobicContact CG-CD1 4.05Å; L297-L302 HydrophobicContact CB-CD1 4.42Å; L297-L302 HydrophobicContact CB-CD2 4.44Å; L297-L302 HydrophobicContact CD2-CD2 4.27Å; V300-L302 HydrophobicContact CB-CD2 4.25Å; V300-L302 HydrophobicContact CG1-CD2 3.88Å; V300-L302 HydrophobicContact CG1-CG 4.44Å; V300-L302 PolarHBondContact O-N 2.83Å
303V90.8Very high91.8Very high70 Ų7050.7 Ų50.742%0.42427%0.267SS..THydrogen-bonded Turntrans-80.2-46.9-175.9-178.10000110.8L196 F266 D301 G305L196-V303 HydrophobicContact CD1-CG1 3.96Å; L196-V303 HydrophobicContact CD1-CG2 4.08Å; F266-V303 HydrophobicContact CE2-CG2 3.74Å; F266-V303 HydrophobicContact CZ-CG2 3.96Å; D301-V303 PolarHBondContact O-N 3.31Å; D301-V303 PolarHBondContact OD1-N 3.01Å; V303-G305 PolarHBondContact O-N 3.1Å
304K90.3Very high91Very high163 Ų16352.7 Ų52.771%0.70928%0.28SS*.THydrogen-bonded Turntrans-65.8-32.8168.5-64.7-167.7-16986.50111D301D301-K304 HydrophobicContact CB-CB 4.48Å; D301-K304 PolarHBondContact OD1-N 3.42Å; D301-K304 WeakPolarHBondContact OD2-CD 3.48Å; D301-K304 WeakPolarHBondContact OD2-CG 3.45Å; D301-K304 IonicContact OD2-NZ 2.69Å; D301-K304 PolarHBondContact OD2-NZ 2.88Å
305G88.4Confident89.9Confident22 Ų2251.7 Ų51.723%0.22727%0.273CS..  trans70.6173.3-167.600000111.6T192 D301 V303T192-G305 CarbonylContact O-C 3.58Å; T192-G305 WeakPolarHBondContact O-CA 3.38Å; D301-G305 WeakPolarHBondContact O-CA 3.46Å; D301-G305 PolarHBondContact O-N 3.08Å; V303-G305 PolarHBondContact O-N 3.1Å
306G89.6Confident87.9Confident25 Ų2555 Ų5526%0.25830%0.296SS..EExtended strand (participates in β ladder)trans-164.7170.2177.300000111.8S191 T192 W308S191-G306 CarbonylContact C-O 3.22Å; S191-G306 WeakPolarHBondContact CA-O 3.44Å; S191-G306 WeakPolarHBondContact CB-O 3.38Å; T192-G306 PolarHBondContact N-O 3.36Å; T192-G306 PolarHBondContact O-N 2.62Å; G306-W308 WeakPolarHBondContact O-CH2 3.34Å; G306-W308 WeakPolarHBondContact O-CZ3 3.14Å
307H93.7Very high85.5Confident122 Ų12261.4 Ų61.457%0.56532%0.323SS*.EExtended strand (participates in β ladder)trans-133.9140.9171.171.6156.5000110.1H189 F190 I206H189-H307 AromaticContact CE1-ND1 3.5Å; H189-H307 PolarHBondContact CE1-ND1 3.08Å; H189-H307 AromaticContact NE2-CE1 3.93Å; H189-H307 AromaticContact NE2-CG 3.73Å; H189-H307 AromaticContact NE2-ND1 3.17Å; H189-H307 PolarHBondContact NE2-ND1 2.97Å; H189-H307 VanDerWaalsContact NE2-ND1 3.17Å; F190-H307 CarbonylContact O-C 3.58Å; F190-H307 WeakPolarHBondContact O-CA 3.49Å; F190-H307 WeakPolarHBondContact O-CB 3.48Å; I206-H307 HydrophobicContact CD1-CB 4.45Å
308W93.9Very high82.9Confident73 Ų7366.4 Ų66.428%0.27735%0.35SS..EExtended strand (participates in β ladder)trans-135140.3-173.1-52.7-89.7000110.3H189 F190 T192 V300 G306 K310H189-W308 WeakPolarHBondContact CA-O 3.47Å; H189-W308 PolarHBondContact CD2-O 2.94Å; F190-W308 HydrophobicContact CD2-CE3 4.06Å; F190-W308 HydrophobicContact CE1-CB 4.39Å; F190-W308 AromaticContact CE2-CE3 3.61Å; F190-W308 HydrophobicContact CE2-CE3 3.61Å; F190-W308 HydrophobicContact CE2-CZ3 4.2Å; F190-W308 HydrophobicContact CZ-CB 4.19Å; F190-W308 HydrophobicContact CZ-CE3 4.14Å; F190-W308 PolarHBondContact N-O 2.94Å; F190-W308 PolarHBondContact O-N 3.4Å; T192-W308 HydrophobicContact CG2-CZ3 4.03Å; T192-W308 WeakPolarHBondContact OG1-CH2 3.34Å; T192-W308 VanDerWaalsContact OG1-CZ3 3.24Å; T192-W308 WeakPolarHBondContact OG1-CZ3 3.47Å; V300-W308 HydrophobicContact CB-CH2 4.49Å; V300-W308 HydrophobicContact CB-CZ2 4.44Å; V300-W308 HydrophobicContact CG1-CH2 3.45Å; V300-W308 VanDerWaalsContact CG1-CH2 3.45Å; V300-W308 HydrophobicContact CG1-CZ2 3.62Å; V300-W308 HydrophobicContact CG2-CH2 4.18Å; V300-W308 HydrophobicContact CG2-CZ2 4.03Å; G306-W308 WeakPolarHBondContact O-CH2 3.34Å; G306-W308 WeakPolarHBondContact O-CZ3 3.14Å; W308-K310 HydrophobicContact CB-CG 4.47Å
309W95.5Very high80.9Confident70 Ų7067.5 Ų67.527%0.26535%0.347SS..EExtended strand (participates in β ladder)trans-88.8124.5155.5-78.399.5000107.3M187 L188 H189 E207 R209M187-W309 HydrophobicContact CB-CE3 3.65Å; M187-W309 HydrophobicContact CB-CZ3 4.01Å; M187-W309 HydrophobicContact CE-CB 3.92Å; M187-W309 HydrophobicContact SD-CE3 4.45Å; L188-W309 WeakPolarHBondContact O-CA 3.32Å; H189-W309 HydrophobicContact CB-CD2 3.77Å; H189-W309 HydrophobicContact CB-CE3 3.77Å; H189-W309 HydrophobicContact CB-CH2 3.72Å; H189-W309 HydrophobicContact CB-CZ2 3.69Å; H189-W309 HydrophobicContact CB-CZ3 3.74Å; H189-W309 AromaticContact CD2-CD1 3.63Å; H189-W309 AromaticContact CD2-CD2 3.99Å; H189-W309 AromaticContact CD2-CE2 3.78Å; H189-W309 AromaticContact CD2-CG 3.95Å; H189-W309 AromaticContact CD2-NE1 3.5Å; H189-W309 AromaticContact CG-CE2 3.69Å; H189-W309 AromaticContact CG-CZ2 3.94Å; H189-W309 AromaticContact CG-NE1 3.83Å; H189-W309 AromaticContact NE2-NE1 3.79Å; E207-W309 HydrophobicContact CG-CH2 3.79Å; E207-W309 HydrophobicContact CG-CZ2 4.08Å; E207-W309 WeakPolarHBondContact OE1-CH2 3.22Å; E207-W309 WeakPolarHBondContact OE1-CZ2 3.29Å; R209-W309 HydrophobicContact CB-CH2 4.12Å; R209-W309 HydrophobicContact CB-CZ3 4.15Å; R209-W309 HydrophobicContact CG-CE3 4.37Å; R209-W309 HydrophobicContact CG-CH2 3.89Å; R209-W309 HydrophobicContact CG-CZ3 3.56Å
310K94.6Very high79.3Confident59 Ų5963.9 Ų63.926%0.25734%0.335SS..EExtended strand (participates in β ladder)trans-124.9141.4169-75.3-157.5163.9-1500110.7D176 M187 L188 F190 V293 V295 W308D176-K310 WeakPolarHBondContact OD1-CA 3.31Å; M187-K310 CarbonylContact C-O 3.52Å; M187-K310 VanDerWaalsContact CA-O 3.28Å; M187-K310 WeakPolarHBondContact CA-O 3.01Å; M187-K310 WeakPolarHBondContact CB-O 3.21Å; L188-K310 PolarHBondContact N-O 2.9Å; L188-K310 PolarHBondContact O-N 3.11Å; F190-K310 HydrophobicContact CE1-CB 4.29Å; F190-K310 HydrophobicContact CE1-CG 4.32Å; F190-K310 HydrophobicContact CZ-CD 4.47Å; F190-K310 HydrophobicContact CZ-CG 4.45Å; V293-K310 HydrophobicContact CG1-CB 3.67Å; V293-K310 HydrophobicContact CG1-CD 3.59Å; V293-K310 HydrophobicContact CG1-CG 4.13Å; V293-K310 HydrophobicContact CG2-CB 4.06Å; V295-K310 HydrophobicContact CG2-CD 3.9Å; W308-K310 HydrophobicContact CB-CG 4.47Å
311A92.3Very high78.3Confident5 Ų569 Ų694%0.04136%0.357CS..EExtended strand (participates in β ladder)trans-65.8142.1172.500000110.1D176 I179 L180 I313D176-A311 HydrophobicContact CB-CB 4.06Å; D176-A311 WeakPolarHBondContact O-CB 3.48Å; D176-A311 WeakPolarHBondContact OD1-CB 3.39Å; D176-A311 PolarHBondContact OD1-N 3.29Å; I179-A311 HydrophobicContact CB-CB 3.84Å; I179-A311 HydrophobicContact CG2-CB 3.51Å; L180-A311 HydrophobicContact CD2-CB 4.3Å; L180-A311 HydrophobicContact CG-CB 3.89Å; A311-I313 PolarHBondContact O-N 3.26Å
312L90.4Very high77.8Confident2 Ų266.4 Ų66.41%0.0134%0.343CS..PPolyproline II helixtrans-78.3116176.6-75.9162.7000109.2L185 G186 L188 L211 V278 V293L185-L312 HydrophobicContact CB-CB 3.79Å; L185-L312 VanDerWaalsContact O-CD1 3.26Å; L185-L312 WeakPolarHBondContact O-CD1 3.47Å; G186-L312 PolarHBondContact O-N 3.3Å; L188-L312 HydrophobicContact CB-CD2 4.4Å; L211-L312 HydrophobicContact CD2-CD1 3.43Å; L211-L312 VanDerWaalsContact CD2-CD1 3.43Å; V278-L312 HydrophobicContact CB-CD1 4.41Å; V278-L312 HydrophobicContact CB-CD2 4.14Å; V278-L312 HydrophobicContact CG2-CD1 4.09Å; V278-L312 HydrophobicContact CG2-CD2 3.52Å; V278-L312 HydrophobicContact CG2-CG 4.46Å; V293-L312 HydrophobicContact CG2-CD2 3.89Å
313I85.6Confident77.5Confident38 Ų3866.4 Ų66.420%0.19534%0.344CS..BIsolated β-bridgetrans-79.1146.2167.956.2163.9000109.3I179 G291 K292 A311I179-I313 HydrophobicContact CD1-CG2 4.03Å; I179-I313 HydrophobicContact CG1-CG2 4.5Å; I179-I313 HydrophobicContact CG2-CG2 3.87Å; G291-I313 CarbonylContact C-O 3.49Å; G291-I313 VanDerWaalsContact CA-O 3.27Å; G291-I313 WeakPolarHBondContact CA-O 3.46Å; K292-I313 HydrophobicContact CB-CG1 4.24Å; K292-I313 PolarHBondContact N-O 3.25Å; K292-I313 WeakPolarHBondContact O-CG1 3.45Å; K292-I313 PolarHBondContact O-N 3.41Å; A311-I313 PolarHBondContact O-N 3.26Å
314P77Confident77.4Confident46 Ų4665.3 Ų65.330%0.29933%0.334SS..PPolyproline II helixtrans-59.6146.1168.527.5-35.5000109.2Y183 L185 S316Y183-P314 HydrophobicContact CD1-CG 3.65Å; Y183-P314 HydrophobicContact CE1-CG 3.56Å; Y183-P314 HydrophobicContact CE2-CG 4.43Å; Y183-P314 HydrophobicContact CG-CG 4.13Å; L185-P314 HydrophobicContact CD1-CB 3.96Å; P314-S316 PolarHBondContact O-N 3.03Å
315S68.5Low77.7Confident26 Ų2657.5 Ų57.518%0.18230%0.301CS..PPolyproline II helixtrans-60125.3160.550.10000108.3Q317S315-Q317 PolarHBondContact O-N 3.05Å
316S52.2Low78.1Confident76 Ų7657 Ų5753%0.53129%0.293SS..PPolyproline II helixtrans-47.9142.117251.80000110.3P314 N318 E319P314-S316 PolarHBondContact O-N 3.03Å; S316-N318 PolarHBondContact O-N 2.63Å; S316-E319 PolarHBondContact O-N 2.85Å; S316-E319 VanDerWaalsContact O-N 3.15Å
317Q43.3Very low78.4Confident171 Ų17155.9 Ų55.980%0.79928%0.28SS*.G310 helixtrans-61.61.1-163.2-72.9173.5-30.400116.1S315 E319S315-Q317 PolarHBondContact O-N 3.05Å; Q317-E319 VanDerWaalsContact C-N 3.34Å
318N40.7Very low78.6Confident105 Ų10550.1 Ų50.156%0.56125%0.254SS*.G310 helixtrans-84.7-2.4174.5-54.2-25.8000113.5S316S316-N318 PolarHBondContact O-N 2.63Å
319E50.3Low78.8Confident107 Ų10746.7 Ų46.750%0.524%0.241SC..G310 helixtrans-115.420.9174.6-91.7-173.1-119.900113.9K292 S316 Q317 E321K292-E319 IonicContact NZ-OE1 2.73Å; K292-E319 PolarHBondContact NZ-OE1 2.59Å; K292-E319 IonicContact NZ-OE2 3.71Å; K292-E319 PolarHBondContact NZ-OE2 2.81Å; S316-E319 PolarHBondContact O-N 2.85Å; S316-E319 VanDerWaalsContact O-N 3.15Å; Q317-E319 VanDerWaalsContact C-N 3.34Å; E319-E321 PolarHBondContact O-N 2.9Å
320V55.8Low78.8Confident70 Ų7044.6 Ų44.642%0.42424%0.235SC..  trans-70101155.3-171.80000106.2L322 L349V320-L322 HydrophobicContact CB-CD2 4.13Å; V320-L322 HydrophobicContact CG1-CD2 3.79Å; V320-L322 WeakPolarHBondContact O-CG 3.47Å; V320-L322 PolarHBondContact O-N 2.83Å; V320-L349 HydrophobicContact CG1-CD1 3.92Å; V320-L349 HydrophobicContact CG1-CD2 4.14Å
321E67.6Low78.8Confident122 Ų12242.4 Ų42.457%0.5723%0.225SC*.  trans-59.2112.8172.3-62.7-172.4167.300108R286 E319 G323R286-E321 VanDerWaalsContact CZ-CB 3.49Å; R286-E321 IonicContact CZ-OE2 2.73Å; R286-E321 IonicContact NE-OE2 2.73Å; R286-E321 PolarHBondContact NE-OE2 3.49Å; R286-E321 PolarHBondContact NH1-O 3.2Å; R286-E321 PolarHBondContact NH2-O 2.94Å; R286-E321 IonicContact NH2-OE2 2.6Å; R286-E321 PolarHBondContact NH2-OE2 3.38Å; E319-E321 PolarHBondContact O-N 2.9Å; E321-G323 VanDerWaalsContact C-N 3.33Å
322L81.6Confident78.8Confident19 Ų1944.5 Ų44.510%0.09924%0.236CC..  trans-83.7-15.6-175-62.2178.7000113.1V320 L349 I422 L457 R458V320-L322 HydrophobicContact CB-CD2 4.13Å; V320-L322 HydrophobicContact CG1-CD2 3.79Å; V320-L322 WeakPolarHBondContact O-CG 3.47Å; V320-L322 PolarHBondContact O-N 2.83Å; L322-L349 HydrophobicContact CD2-CB 4.33Å; L322-L349 HydrophobicContact CD2-CD2 3.67Å; L322-L349 PolarHBondContact O-N 2.95Å; L322-I422 WeakPolarHBondContact CB-O 3.38Å; L322-I422 WeakPolarHBondContact CD1-O 3.29Å; L322-I422 WeakPolarHBondContact O-CG2 3.38Å; L322-L457 HydrophobicContact CB-CB 3.78Å; L322-R458 WeakPolarHBondContact CD1-O 3.37Å
323G85.9Confident78.9Confident3 Ų346.9 Ų46.93%0.03125%0.251CS..  trans135.8170.9-175.800000110.9R286 E321 L457R286-G323 VanDerWaalsContact NH2-CA 3.28Å; R286-G323 VanDerWaalsContact NH2-N 3.12Å; E321-G323 VanDerWaalsContact C-N 3.33Å; G323-L457 WeakPolarHBondContact O-CB 3.35Å; G323-L457 PolarHBondContact O-N 2.88Å
324E89.1Confident79.1Confident47 Ų4750.8 Ų50.822%0.2228%0.282CS..EExtended strand (participates in β ladder)trans-123.2143.5164-54-158100.500110.1A345 K346 W454 H455 S456E324-A345 CarbonylContact O-C 3.36Å; E324-A345 WeakPolarHBondContact O-CA 3.27Å; E324-A345 WeakPolarHBondContact O-CB 3.31Å; E324-K346 HydrophobicContact CB-CG 4.12Å; E324-K346 PolarHBondContact N-O 3.26Å; E324-K346 VanDerWaalsContact N-O 3.08Å; E324-K346 PolarHBondContact O-N 2.75Å; E324-K346 WeakPolarHBondContact OE2-CE 3.45Å; E324-K346 IonicContact OE2-NZ 2.69Å; E324-K346 PolarHBondContact OE2-NZ 2.86Å; E324-W454 HydrophobicContact CB-CE3 3.76Å; E324-W454 HydrophobicContact CB-CZ3 4.14Å; E324-H455 CarbonylContact C-O 3.53Å; E324-H455 WeakPolarHBondContact CA-O 3.39Å; E324-S456 PolarHBondContact OE1-OG 3Å
325L95.4Very high79.8Confident0 Ų051 Ų510%029%0.287CS..EExtended strand (participates in β ladder)trans-117.1124.7-180-170.165.8000110L327 V342 A345 V361 F408 V410 I425 H455 L457L325-L327 HydrophobicContact CD2-CD1 4.2Å; L325-L327 HydrophobicContact CD2-CD2 3.83Å; L325-L327 HydrophobicContact CD2-CG 4.11Å; L325-L327 HydrophobicContact CG-CD2 3.92Å; L325-L327 HydrophobicContact CG-CG 4.05Å; L325-V342 HydrophobicContact CD1-CG1 4.11Å; L325-A345 HydrophobicContact CD1-CB 3.74Å; L325-V361 HydrophobicContact CD1-CG2 4.04Å; L325-V361 HydrophobicContact CD2-CG1 4.15Å; L325-F408 HydrophobicContact CD2-CB 4.19Å; L325-F408 HydrophobicContact CD2-CD1 4.4Å; L325-V410 HydrophobicContact CD2-CG2 4.38Å; L325-I425 HydrophobicContact CD2-CD1 4.33Å; L325-H455 PolarHBondContact N-O 2.73Å; L325-H455 PolarHBondContact O-N 3.08Å; L325-L457 HydrophobicContact CB-CD2 4.2Å
326L96.4Very high81Confident12 Ų1250.4 Ų50.46%0.06329%0.286CS..EExtended strand (participates in β ladder)trans-90.4118.1173.6-179.157.8000109.4I343 R344 E452 W454L326-I343 HydrophobicContact CB-CB 4.45Å; L326-I343 HydrophobicContact CD2-CB 4.17Å; L326-I343 HydrophobicContact CD2-CD1 4.33Å; L326-I343 HydrophobicContact CD2-CG2 3.99Å; L326-I343 HydrophobicContact CG-CB 4.1Å; L326-I343 HydrophobicContact CG-CD1 4.11Å; L326-I343 HydrophobicContact CG-CG2 4.47Å; L326-I343 PolarHBondContact O-N 2.86Å; L326-I343 VanDerWaalsContact O-N 3.14Å; L326-R344 HydrophobicContact CB-CG 3.97Å; L326-R344 WeakPolarHBondContact CB-O 3.32Å; L326-R344 HydrophobicContact CD2-CG 4.05Å; L326-R344 PolarHBondContact N-O 3.08Å; L326-E452 HydrophobicContact CD1-CB 4.49Å; L326-W454 HydrophobicContact CB-CD2 3.83Å; L326-W454 HydrophobicContact CB-CE3 3.7Å; L326-W454 HydrophobicContact CB-CH2 3.86Å; L326-W454 HydrophobicContact CB-CZ2 3.99Å; L326-W454 HydrophobicContact CB-CZ3 3.7Å; L326-W454 HydrophobicContact CD1-CD2 4.12Å; L326-W454 HydrophobicContact CD1-CG 4.11Å; L326-W454 HydrophobicContact CD2-CZ2 4.03Å; L326-W454 HydrophobicContact CG-CD2 4.44Å; L326-W454 HydrophobicContact CG-CZ2 4.49Å
327L97.6Very high83Confident0 Ų052.4 Ų52.40%028%0.282CS..EExtended strand (participates in β ladder)trans-121.6137.3-178.2-64.7177000110.9L325 V342 F408 I425 I427 H439 E452 Q453L325-L327 HydrophobicContact CD2-CD1 4.2Å; L325-L327 HydrophobicContact CD2-CD2 3.83Å; L325-L327 HydrophobicContact CD2-CG 4.11Å; L325-L327 HydrophobicContact CG-CD2 3.92Å; L325-L327 HydrophobicContact CG-CG 4.05Å; L327-V342 HydrophobicContact CD2-CB 4.39Å; L327-V342 HydrophobicContact CD2-CG1 4.45Å; L327-V342 HydrophobicContact CD2-CG2 3.94Å; L327-F408 HydrophobicContact CD1-CD1 3.85Å; L327-F408 HydrophobicContact CD1-CD2 3.89Å; L327-F408 HydrophobicContact CD1-CE1 3.67Å; L327-F408 HydrophobicContact CD1-CE2 3.72Å; L327-F408 HydrophobicContact CD1-CG 3.96Å; L327-F408 HydrophobicContact CD1-CZ 3.61Å; L327-F408 HydrophobicContact CD2-CD1 3.94Å; L327-F408 HydrophobicContact CD2-CE1 3.67Å; L327-F408 HydrophobicContact CD2-CZ 4.33Å; L327-F408 HydrophobicContact CG-CE1 4.32Å; L327-I425 HydrophobicContact CD1-CD1 3.86Å; L327-I427 HydrophobicContact CD1-CD1 3.68Å; L327-H439 WeakPolarHBondContact CB-CE1 3.28Å; L327-H439 PolarHBondContact O-CE1 2.67Å; L327-E452 WeakPolarHBondContact O-CA 3.17Å; L327-Q453 PolarHBondContact N-O 2.83Å; L327-Q453 VanDerWaalsContact N-O 3.07Å; L327-Q453 PolarHBondContact O-N 2.89Å
328S97.4Very high85.5Confident2 Ų244.2 Ų44.21%0.01424%0.244CC..EExtended strand (participates in β ladder)trans-101.6134.7163.7154.20000109.2V340 D341 A450 V451S328-V340 WeakPolarHBondContact O-CA 3.44Å; S328-D341 VanDerWaalsContact CB-OD2 3.26Å; S328-D341 WeakPolarHBondContact CB-OD2 3.01Å; S328-D341 PolarHBondContact N-O 3.44Å; S328-D341 PolarHBondContact O-N 2.97Å; S328-D341 PolarHBondContact OG-OD2 3.01Å; S328-A450 WeakPolarHBondContact OG-CB 3.46Å; S328-V451 WeakPolarHBondContact CA-O 3.47Å
329L96.9Very high88.2Confident0 Ų040.9 Ų40.90%023%0.226CC..EExtended strand (participates in β ladder)trans-127.1133.3175-63.6179.2000110.5V340 L406 F408 I427 H439 W440 M443 V451L329-V340 HydrophobicContact CD2-CB 4.21Å; L329-V340 HydrophobicContact CD2-CG1 3.94Å; L329-V340 HydrophobicContact CD2-CG2 3.83Å; L329-L406 HydrophobicContact CD2-CD1 4.05Å; L329-F408 HydrophobicContact CD2-CZ 4.5Å; L329-I427 HydrophobicContact CD1-CD1 4.34Å; L329-I427 HydrophobicContact CD1-CG2 3.85Å; L329-H439 VanDerWaalsContact CG-CE1 3.42Å; L329-H439 WeakPolarHBondContact CG-CE1 3.48Å; L329-W440 HydrophobicContact CD1-CE3 4.41Å; L329-M443 HydrophobicContact CB-CB 4.17Å; L329-M443 HydrophobicContact CB-CG 3.91Å; L329-M443 HydrophobicContact CB-SD 3.78Å; L329-M443 HydrophobicContact CD1-SD 4.49Å; L329-V451 PolarHBondContact N-O 3.21Å; L329-V451 PolarHBondContact O-N 2.95Å
330N95.4Very high90.4Very high26 Ų2635.8 Ų35.814%0.13920%0.202CC..EExtended strand (participates in β ladder)trans-143.8125177.4-175.91.3000110.2N339 R448 A450N330-N339 HydrophobicContact CB-CB 4.38Å; N330-N339 PolarHBondContact N-O 3.33Å; N330-N339 PolarHBondContact O-N 3.12Å; N330-R448 PolarHBondContact ND2-O 3.41Å; N330-A450 HydrophobicContact CB-CB 4.16Å
331Y95.1Very high92.4Very high13 Ų1334 Ų345%0.05119%0.19CC..EExtended strand (participates in β ladder)trans-105.7134.9174.1-171.9-107.3000111.5P333 R337 L338 V396 Q398 L401Y331-P333 HydrophobicContact CD1-CB 4.44Å; Y331-P333 HydrophobicContact CD1-CG 3.76Å; Y331-P333 HydrophobicContact CE1-CB 3.97Å; Y331-P333 HydrophobicContact CE1-CG 3.79Å; Y331-P333 WeakPolarHBondContact O-CD 3.43Å; Y331-R337 WeakPolarHBondContact CD2-O 3.32Å; Y331-L338 HydrophobicContact CD2-CB 3.98Å; Y331-L338 HydrophobicContact CD2-CD1 4.31Å; Y331-L338 HydrophobicContact CE2-CB 4.43Å; Y331-V396 WeakPolarHBondContact CE2-O 3.48Å; Y331-V396 PolarHBondContact OH-O 3.33Å; Y331-Q398 WeakPolarHBondContact OH-CA 3.35Å; Y331-Q398 PolarHBondContact OH-N 2.98Å; Y331-L401 HydrophobicContact CD1-CD2 3.6Å; Y331-L401 HydrophobicContact CD2-CD1 3.9Å; Y331-L401 HydrophobicContact CD2-CD2 3.89Å; Y331-L401 HydrophobicContact CE1-CD2 3.55Å; Y331-L401 HydrophobicContact CE2-CD1 3.84Å; Y331-L401 HydrophobicContact CE2-CD2 3.85Å; Y331-L401 HydrophobicContact CE2-CG 4.39Å; Y331-L401 HydrophobicContact CG-CD2 3.79Å
332L93.3Very high93.9Very high50 Ų5028.2 Ų28.226%0.26216%0.163SC..EExtended strand (participates in β ladder)trans-115.491178.6-62.5178.9000109.7S334 A335 G336 R337L332-S334 PolarHBondContact O-N 2.97Å; L332-A335 HydrophobicContact CB-CB 4.37Å; L332-A335 PolarHBondContact O-N 2.9Å; L332-A335 VanDerWaalsContact O-N 3.1Å; L332-G336 PolarHBondContact O-N 2.89Å; L332-G336 VanDerWaalsContact O-N 3.14Å; L332-R337 PolarHBondContact N-O 2.81Å; L332-R337 PolarHBondContact O-N 3.41Å
333P91.4Very high94.5Very high51 Ų5128.2 Ų28.233%0.33116%0.163SC..G310 helixtrans-55-48.5-175.7-25.632000113.3Y331 A335 G336Y331-P333 HydrophobicContact CD1-CB 4.44Å; Y331-P333 HydrophobicContact CD1-CG 3.76Å; Y331-P333 HydrophobicContact CE1-CB 3.97Å; Y331-P333 HydrophobicContact CE1-CG 3.79Å; Y331-P333 WeakPolarHBondContact O-CD 3.43Å; P333-A335 PolarHBondContact O-N 2.87Å; P333-G336 PolarHBondContact O-N 2.69Å
334S90.3Very high94.9Very high120 Ų12033.4 Ų33.484%0.83918%0.182SC*.G310 helixtrans-61.2-12.5-178.5-44.40000114.8L332L332-S334 PolarHBondContact O-N 2.97Å
335A91.6Very high95.1Very high50 Ų5031.3 Ų31.341%0.41317%0.172SC..G310 helixtrans-117.3-2.3177.300000113.3L332 P333 R337L332-A335 HydrophobicContact CB-CB 4.37Å; L332-A335 PolarHBondContact O-N 2.9Å; L332-A335 VanDerWaalsContact O-N 3.1Å; P333-A335 PolarHBondContact O-N 2.87Å; A335-R337 VanDerWaalsContact C-N 3.27Å; A335-R337 HydrophobicContact CB-CB 4.34Å; A335-R337 HydrophobicContact CB-CG 4.37Å; A335-R337 PolarHBondContact O-N 2.91Å
336G93.8Very high94.6Very high15 Ų1533.9 Ų33.916%0.15518%0.183CC..THydrogen-bonded Turntrans52.144.3-170.300000112.2L332 P333 K395 V396L332-G336 PolarHBondContact O-N 2.89Å; L332-G336 VanDerWaalsContact O-N 3.14Å; P333-G336 PolarHBondContact O-N 2.69Å; G336-K395 CarbonylContact O-C 3.45Å; G336-K395 WeakPolarHBondContact O-CA 3.41Å; G336-V396 CarbonylContact C-O 3.19Å; G336-V396 WeakPolarHBondContact CA-O 3.38Å; G336-V396 CarbonylContact O-C 3.6Å; G336-V396 PolarHBondContact O-N 3.41Å
337R94.5Very high93.7Very high117 Ų11736.2 Ų36.244%0.44219%0.194SC..EExtended strand (participates in β ladder)trans-125.6124.6-174.5-78.9-168.1-69-161.7-0.2113.4Y331 L332 A335 S393 F394Y331-R337 WeakPolarHBondContact CD2-O 3.32Å; L332-R337 PolarHBondContact N-O 2.81Å; L332-R337 PolarHBondContact O-N 3.41Å; A335-R337 VanDerWaalsContact C-N 3.27Å; A335-R337 HydrophobicContact CB-CB 4.34Å; A335-R337 HydrophobicContact CB-CG 4.37Å; A335-R337 PolarHBondContact O-N 2.91Å; R337-S393 WeakPolarHBondContact CD-OG 3.43Å; R337-F394 WeakPolarHBondContact CA-O 3.44Å
338L95.7Very high93Very high0 Ų036.3 Ų36.30%019%0.194CC..EExtended strand (participates in β ladder)trans-99.1112.6170.4177.658.4000108.7Y331 V340 F394 V396 L406 W440 M443Y331-L338 HydrophobicContact CD2-CB 3.98Å; Y331-L338 HydrophobicContact CD2-CD1 4.31Å; Y331-L338 HydrophobicContact CE2-CB 4.43Å; L338-V340 HydrophobicContact CG-CG2 4.22Å; L338-F394 HydrophobicContact CB-CB 4.42Å; L338-F394 PolarHBondContact N-O 3.41Å; L338-F394 PolarHBondContact O-N 3.49Å; L338-V396 HydrophobicContact CB-CG2 4.18Å; L338-V396 HydrophobicContact CD2-CG2 4.39Å; L338-L406 HydrophobicContact CD2-CD1 3.82Å; L338-L406 HydrophobicContact CD2-CD2 4.31Å; L338-L406 HydrophobicContact CD2-CG 4.13Å; L338-L406 HydrophobicContact CG-CD1 4.39Å; L338-W440 HydrophobicContact CD1-CH2 4.4Å; L338-W440 HydrophobicContact CD1-CZ3 4.19Å; L338-W440 HydrophobicContact CD2-CH2 3.7Å; L338-W440 HydrophobicContact CD2-CZ3 3.94Å; L338-M443 HydrophobicContact CD1-CE 4.14Å; L338-M443 HydrophobicContact CD1-SD 3.38Å; L338-M443 WeakPolarHBondContact CD1-SD 3.3Å
339N96.2Very high92.2Very high35 Ų3539.1 Ų39.119%0.18721%0.209CC..EExtended strand (participates in β ladder)trans-99.1138.2175.7-59.7-33.3000109.5N330 S393N330-N339 HydrophobicContact CB-CB 4.38Å; N330-N339 PolarHBondContact N-O 3.33Å; N330-N339 PolarHBondContact O-N 3.12Å; N339-S393 VanDerWaalsContact OD1-CB 3.22Å; N339-S393 WeakPolarHBondContact OD1-CB 3.43Å; N339-S393 PolarHBondContact OD1-OG 2.94Å
340V97.7Very high91Very high0 Ų043.3 Ų43.30%023%0.228CC..EExtended strand (participates in β ladder)trans-136.9115-172.9-179.30000107.4S328 L329 L338 F392 F394 L406 F408S328-V340 WeakPolarHBondContact O-CA 3.44Å; L329-V340 HydrophobicContact CD2-CB 4.21Å; L329-V340 HydrophobicContact CD2-CG1 3.94Å; L329-V340 HydrophobicContact CD2-CG2 3.83Å; L338-V340 HydrophobicContact CG-CG2 4.22Å; V340-F392 HydrophobicContact CB-CB 4.47Å; V340-F392 PolarHBondContact N-O 2.61Å; V340-F392 PolarHBondContact O-N 3.4Å; V340-F394 HydrophobicContact CB-CE2 4.47Å; V340-F394 HydrophobicContact CG2-CD2 4.07Å; V340-F394 HydrophobicContact CG2-CE2 4.1Å; V340-L406 HydrophobicContact CG2-CD1 3.48Å; V340-L406 VanDerWaalsContact CG2-CD1 3.48Å; V340-F408 HydrophobicContact CG1-CE1 3.52Å; V340-F408 HydrophobicContact CG1-CZ 3.6Å
341D97.8Very high89.6Confident33 Ų3344 Ų4418%0.17623%0.234CC..EExtended strand (participates in β ladder)trans-105.8122.6174.6-34.3-66.1000109.5S328 I343 E390 S391S328-D341 VanDerWaalsContact CB-OD2 3.26Å; S328-D341 WeakPolarHBondContact CB-OD2 3.01Å; S328-D341 PolarHBondContact N-O 3.44Å; S328-D341 PolarHBondContact O-N 2.97Å; S328-D341 PolarHBondContact OG-OD2 3.01Å; D341-I343 HydrophobicContact CB-CG1 4.38Å; D341-I343 PolarHBondContact O-N 3.27Å; D341-E390 WeakPolarHBondContact CA-O 3.21Å; D341-S391 WeakPolarHBondContact OD1-CA 3.2Å; D341-S391 WeakPolarHBondContact OD1-CB 3.18Å; D341-S391 PolarHBondContact OD1-OG 2.9Å
342V98.1Very high87.8Confident0 Ų045.1 Ų45.10%024%0.241CC..EExtended strand (participates in β ladder)trans-88.7100.3171.1-177.70000106.4L325 L327 V361 I363 T377 Y388 N389 E390 F392L325-V342 HydrophobicContact CD1-CG1 4.11Å; L327-V342 HydrophobicContact CD2-CB 4.39Å; L327-V342 HydrophobicContact CD2-CG1 4.45Å; L327-V342 HydrophobicContact CD2-CG2 3.94Å; V342-V361 HydrophobicContact CG1-CB 4.26Å; V342-V361 HydrophobicContact CG1-CG2 3.86Å; V342-I363 HydrophobicContact CG2-CD1 3.6Å; V342-I363 HydrophobicContact CG2-CG1 4.23Å; V342-T377 HydrophobicContact CB-CG2 4.03Å; V342-T377 HydrophobicContact CG1-CG2 4.04Å; V342-T377 HydrophobicContact CG2-CG2 4.24Å; V342-Y388 HydrophobicContact CG1-CD2 3.72Å; V342-Y388 HydrophobicContact CG1-CE2 4.3Å; V342-Y388 HydrophobicContact CG1-CG 4.24Å; V342-Y388 WeakPolarHBondContact O-CB 3.07Å; V342-N389 WeakPolarHBondContact O-CA 3.4Å; V342-N389 PolarHBondContact O-N 2.99Å; V342-N389 VanDerWaalsContact O-N 3.08Å; V342-E390 PolarHBondContact N-O 3.34Å; V342-E390 PolarHBondContact O-N 2.84Å; V342-F392 HydrophobicContact CB-CE2 4.41Å; V342-F392 HydrophobicContact CG2-CD2 4.24Å; V342-F392 HydrophobicContact CG2-CE2 4.06Å
343I95.6Very high85.8Confident19 Ų1947.7 Ų47.710%0.09726%0.258CS..EExtended strand (participates in β ladder)trans-82-59.5-170.6-60.7169.1000109.5L326 D341 F387 Y388 N389 E452L326-I343 HydrophobicContact CB-CB 4.45Å; L326-I343 HydrophobicContact CD2-CB 4.17Å; L326-I343 HydrophobicContact CD2-CD1 4.33Å; L326-I343 HydrophobicContact CD2-CG2 3.99Å; L326-I343 HydrophobicContact CG-CB 4.1Å; L326-I343 HydrophobicContact CG-CD1 4.11Å; L326-I343 HydrophobicContact CG-CG2 4.47Å; L326-I343 PolarHBondContact O-N 2.86Å; L326-I343 VanDerWaalsContact O-N 3.14Å; D341-I343 HydrophobicContact CB-CG1 4.38Å; D341-I343 PolarHBondContact O-N 3.27Å; I343-F387 HydrophobicContact CG2-CE2 4.29Å; I343-Y388 PolarHBondContact O-N 2.81Å; I343-N389 PolarHBondContact O-N 3.18Å; I343-E452 HydrophobicContact CD1-CG 3.91Å
344R94Very high83.7Confident112 Ų11250.2 Ų50.242%0.42328%0.277SS..EExtended strand (participates in β ladder)trans-159.3157.3178.157.4177.8171.5175.4-4.2111.2L326 P386 F387 W454L326-R344 HydrophobicContact CB-CG 3.97Å; L326-R344 WeakPolarHBondContact CB-O 3.32Å; L326-R344 HydrophobicContact CD2-CG 4.05Å; L326-R344 PolarHBondContact N-O 3.08Å; R344-P386 CarbonylContact C-O 3.57Å; R344-P386 WeakPolarHBondContact CA-O 3.21Å; R344-P386 VanDerWaalsContact CB-O 3.27Å; R344-P386 WeakPolarHBondContact CB-O 3.39Å; R344-F387 HydrophobicContact CB-CD2 3.96Å; R344-W454 HydrophobicContact CG-CH2 3.82Å; R344-W454 HydrophobicContact CG-CZ2 4.4Å
345A93.6Very high81.9Confident2 Ų251 Ų512%0.01727%0.267CS..EExtended strand (participates in β ladder)trans-106.8162.5157.100000109.7E324 L325 L348 D385 P386E324-A345 CarbonylContact O-C 3.36Å; E324-A345 WeakPolarHBondContact O-CA 3.27Å; E324-A345 WeakPolarHBondContact O-CB 3.31Å; L325-A345 HydrophobicContact CD1-CB 3.74Å; A345-L348 HydrophobicContact CB-CD1 3.91Å; A345-L348 HydrophobicContact CB-CD2 3.61Å; A345-L348 HydrophobicContact CB-CG 3.8Å; A345-D385 CarbonylContact O-C 3.58Å; A345-P386 HydrophobicContact CB-CG 3.74Å; A345-P386 PolarHBondContact N-O 3.15Å
346K83.8Confident80.2Confident54 Ų5449.5 Ų49.524%0.23526%0.257CS..EExtended strand (participates in β ladder)trans-132.7149.9170.169.7-177.3173.587.20112.2E324 L348 I384 D385 W454E324-K346 HydrophobicContact CB-CG 4.12Å; E324-K346 PolarHBondContact N-O 3.26Å; E324-K346 VanDerWaalsContact N-O 3.08Å; E324-K346 PolarHBondContact O-N 2.75Å; E324-K346 WeakPolarHBondContact OE2-CE 3.45Å; E324-K346 IonicContact OE2-NZ 2.69Å; E324-K346 PolarHBondContact OE2-NZ 2.86Å; K346-L348 PolarHBondContact O-N 2.73Å; K346-L348 VanDerWaalsContact O-N 3.08Å; K346-I384 CarbonylContact C-O 3.54Å; K346-D385 WeakPolarHBondContact CA-OD1 3.42Å; K346-D385 VanDerWaalsContact CB-OD1 3.24Å; K346-D385 WeakPolarHBondContact CB-OD1 3.38Å; K346-W454 HydrophobicContact CB-CH2 4.08Å; K346-W454 HydrophobicContact CB-CZ3 4.23Å; K346-W454 HydrophobicContact CD-CE3 4.45Å; K346-W454 HydrophobicContact CD-CH2 3.53Å; K346-W454 HydrophobicContact CD-CZ2 3.99Å; K346-W454 HydrophobicContact CD-CZ3 3.81Å; K346-W454 HydrophobicContact CG-CE3 4.45Å; K346-W454 HydrophobicContact CG-CH2 3.74Å; K346-W454 HydrophobicContact CG-CZ3 3.63Å
347Q78Confident78.9Confident61 Ų6148.9 Ų48.929%0.28525%0.25SC..SBendtrans625.3171.5-52.5166.9-101.700116.1R286 I384 D385R286-Q347 HydrophobicContact CG-CB 4.02Å; R286-Q347 PolarHBondContact NE-O 3.14Å; R286-Q347 PolarHBondContact NH1-O 2.74Å; Q347-I384 CarbonylContact C-O 3.58Å; Q347-I384 PolarHBondContact N-O 3.29Å; Q347-I384 VanDerWaalsContact N-O 3.12Å; Q347-D385 PolarHBondContact N-OD1 3.43Å
348L83.8Confident78.6Confident2 Ų244.3 Ų44.31%0.0123%0.234CC..  trans-36.3143.5-167.4-65.4-177.8000115.5A345 K346 Q350 P359 I384 P386 V410 I422 L457A345-L348 HydrophobicContact CB-CD1 3.91Å; A345-L348 HydrophobicContact CB-CD2 3.61Å; A345-L348 HydrophobicContact CB-CG 3.8Å; K346-L348 PolarHBondContact O-N 2.73Å; K346-L348 VanDerWaalsContact O-N 3.08Å; L348-Q350 PolarHBondContact O-N 3.45Å; L348-P359 HydrophobicContact CD1-CB 3.44Å; L348-P359 VanDerWaalsContact CD1-CB 3.44Å; L348-P359 HydrophobicContact CD1-CG 3.92Å; L348-I384 HydrophobicContact CB-CB 4.33Å; L348-I384 WeakPolarHBondContact CB-O 3.44Å; L348-I384 WeakPolarHBondContact CG-O 3.14Å; L348-I384 PolarHBondContact N-O 3.36Å; L348-I384 WeakPolarHBondContact O-CB 3.32Å; L348-I384 VanDerWaalsContact O-CG2 3.32Å; L348-I384 WeakPolarHBondContact O-CG2 3.31Å; L348-P386 HydrophobicContact CD1-CG 3.72Å; L348-V410 HydrophobicContact CD1-CG1 3.85Å; L348-V410 HydrophobicContact CD2-CG1 4.19Å; L348-I422 HydrophobicContact CB-CG2 4.25Å; L348-I422 HydrophobicContact CD1-CD1 4.41Å; L348-I422 HydrophobicContact CD2-CG2 4.15Å; L348-L457 HydrophobicContact CD2-CD1 3.56Å
349L80.3Confident78.4Confident61 Ų6144.3 Ų44.332%0.31923%0.234SC..  trans-55.3125174.3-179.866.3000110.7V320 L322 I422V320-L349 HydrophobicContact CG1-CD1 3.92Å; V320-L349 HydrophobicContact CG1-CD2 4.14Å; L322-L349 HydrophobicContact CD2-CB 4.33Å; L322-L349 HydrophobicContact CD2-CD2 3.67Å; L322-L349 PolarHBondContact O-N 2.95Å; L349-I422 HydrophobicContact CB-CG2 4.27Å
350Q71.6Confident78.3Confident89 Ų8943.3 Ų43.342%0.41623%0.228SC..  trans-76.2123.8176.8-173.8172.5-8.100109.9L348 D352 S357 I384L348-Q350 PolarHBondContact O-N 3.45Å; Q350-D352 WeakPolarHBondContact CG-O 3.46Å; Q350-D352 PolarHBondContact NE2-O 2.85Å; Q350-S357 WeakPolarHBondContact CA-OG 3.46Å; Q350-I384 HydrophobicContact CB-CG2 4.3Å
351T65.3Low78.3Confident41 Ų4143.3 Ų43.325%0.25223%0.228SC..  trans-101.5-31.5-176.6640000112.6S357 D420 I422T351-S357 PolarHBondContact N-OG 2.97Å; T351-S357 PolarHBondContact OG1-OG 2.76Å; T351-D420 VanDerWaalsContact CB-CB 3.45Å; T351-D420 HydrophobicContact CG2-CB 3.62Å; T351-D420 PolarHBondContact OG1-OD2 2.67Å; T351-I422 HydrophobicContact CG2-CD1 4.27Å; T351-I422 HydrophobicContact CG2-CG1 3.56Å
352D58.4Low78.3Confident36 Ų3643.9 Ų43.919%0.19323%0.229CC..  trans-112.4115.9172.3-166.9-40.5000110.2Q350 S354 Q355 G356Q350-D352 WeakPolarHBondContact CG-O 3.46Å; Q350-D352 PolarHBondContact NE2-O 2.85Å; D352-S354 VanDerWaalsContact C-N 3.28Å; D352-S354 PolarHBondContact O-N 3.12Å; D352-S354 WeakPolarHBondContact OD1-CA 3.38Å; D352-S354 WeakPolarHBondContact OD1-CB 3.22Å; D352-S354 PolarHBondContact OD1-N 3.46Å; D352-S354 PolarHBondContact OD1-OG 2.78Å; D352-Q355 PolarHBondContact OD1-N 3.12Å; D352-G356 WeakPolarHBondContact O-CA 3.24Å; D352-G356 PolarHBondContact O-N 2.9Å
353V49.7Very low78.3Confident103 Ų10343.9 Ų43.962%0.62423%0.229SC*.THydrogen-bonded Turntrans-72.4-22.4-179.8-174.60000111.9
354S47.9Very low78.4Confident104 Ų10443.2 Ų43.273%0.72723%0.226SC*.THydrogen-bonded Turntrans-100.5-31.7-169.173.60000115.1D352D352-S354 VanDerWaalsContact C-N 3.28Å; D352-S354 PolarHBondContact O-N 3.12Å; D352-S354 WeakPolarHBondContact OD1-CA 3.38Å; D352-S354 WeakPolarHBondContact OD1-CB 3.22Å; D352-S354 PolarHBondContact OD1-N 3.46Å; D352-S354 PolarHBondContact OD1-OG 2.78Å
355Q52.9Low78.6Confident138 Ų13838.3 Ų38.365%0.64521%0.207SC*.THydrogen-bonded Turntrans-113.7-9.9176.4-68.3-162.2-27.900114D352D352-Q355 PolarHBondContact OD1-N 3.12Å
356G54.7Low78.8Confident18 Ų1838.3 Ų38.319%0.18621%0.207CC..  trans78.3161.7-165.300000111.4D352D352-G356 WeakPolarHBondContact O-CA 3.24Å; D352-G356 PolarHBondContact O-N 2.9Å
357S67.4Low79.3Confident2 Ų238.1 Ų38.11%0.01421%0.207CC..  trans-73.7140.8174.8-65.30000111Q350 T351 P359 G382 T383Q350-S357 WeakPolarHBondContact CA-OG 3.46Å; T351-S357 PolarHBondContact N-OG 2.97Å; T351-S357 PolarHBondContact OG1-OG 2.76Å; S357-P359 WeakPolarHBondContact O-CD 3.25Å; S357-G382 CarbonylContact O-C 3.53Å; S357-G382 WeakPolarHBondContact O-CA 3.38Å; S357-G382 PolarHBondContact O-N 2.79Å; S357-T383 PolarHBondContact O-N 2.88Å
358D87.2Confident79.9Confident21 Ų2137.2 Ų37.211%0.11221%0.214CC..EExtended strand (participates in β ladder)trans-10272.4167.5-82.114.4000109.8F379 L380 R381 G382 H413D358-F379 HydrophobicContact CB-CD2 4.11Å; D358-L380 CarbonylContact C-O 3.56Å; D358-L380 WeakPolarHBondContact CA-O 3.25Å; D358-R381 WeakPolarHBondContact OD1-CA 3.09Å; D358-R381 WeakPolarHBondContact OD2-CG 3.34Å; D358-G382 PolarHBondContact OD1-N 2.89Å; D358-H413 HydrophobicContact CB-CB 3.86Å; D358-H413 VanDerWaalsContact O-CB 3.31Å; D358-H413 WeakPolarHBondContact O-CB 3.45Å; D358-H413 PolarHBondContact O-N 2.95Å
359P91.9Very high80.2Confident0 Ų039.9 Ų39.90%023%0.228CC..EExtended strand (participates in β ladder)trans-69.1142.3-167.730.7-41.3000113.8L348 S357 F379 L380 T383 P386 Y388 F411 I422L348-P359 HydrophobicContact CD1-CB 3.44Å; L348-P359 VanDerWaalsContact CD1-CB 3.44Å; L348-P359 HydrophobicContact CD1-CG 3.92Å; S357-P359 WeakPolarHBondContact O-CD 3.25Å; P359-F379 WeakPolarHBondContact O-CA 3.21Å; P359-L380 WeakPolarHBondContact CD-O 3.3Å; P359-L380 PolarHBondContact O-N 2.77Å; P359-L380 VanDerWaalsContact O-N 3.16Å; P359-T383 WeakPolarHBondContact CD-O 3.37Å; P359-T383 HydrophobicContact CG-CG2 4.08Å; P359-T383 WeakPolarHBondContact CG-O 3.31Å; P359-P386 HydrophobicContact CB-CG 4.19Å; P359-P386 HydrophobicContact CG-CB 3.82Å; P359-P386 HydrophobicContact CG-CG 3.65Å; P359-Y388 VanDerWaalsContact C-OH 3.22Å; P359-Y388 WeakPolarHBondContact CB-OH 3.36Å; P359-Y388 PolarHBondContact O-OH 2.82Å; P359-Y388 VanDerWaalsContact O-OH 3.12Å; P359-F411 CarbonylContact C-O 3.44Å; P359-F411 VanDerWaalsContact CA-O 3.27Å; P359-F411 WeakPolarHBondContact CA-O 3.43Å; P359-I422 HydrophobicContact CB-CD1 4.33Å
360F95.6Very high80.9Confident13 Ų1344.1 Ų44.16%0.05724%0.244CC..EExtended strand (participates in β ladder)trans-140.3156.9164.871.4-84000111.2K376 S378 F379 Y388 V410 F411 H413 N419F360-K376 HydrophobicContact CD2-CD 4.37Å; F360-K376 HydrophobicContact CE2-CD 4.01Å; F360-K376 HydrophobicContact CE2-CG 4.44Å; F360-S378 WeakPolarHBondContact CB-O 3.37Å; F360-F379 HydrophobicContact CB-CB 3.92Å; F360-F379 HydrophobicContact CD1-CB 4.41Å; F360-Y388 WeakPolarHBondContact CA-OH 3.42Å; F360-Y388 PolarHBondContact N-OH 2.83Å; F360-V410 WeakPolarHBondContact O-CA 3.12Å; F360-F411 HydrophobicContact CD1-CB 4.11Å; F360-F411 HydrophobicContact CE1-CB 3.53Å; F360-F411 HydrophobicContact CE1-CG 4.43Å; F360-F411 HydrophobicContact CE2-CB 4.18Å; F360-F411 HydrophobicContact CE2-CD2 4.03Å; F360-F411 HydrophobicContact CE2-CG 4.44Å; F360-F411 HydrophobicContact CZ-CB 3.56Å; F360-F411 HydrophobicContact CZ-CD2 4.02Å; F360-F411 AromaticContact CZ-CG 3.99Å; F360-F411 HydrophobicContact CZ-CG 3.99Å; F360-F411 PolarHBondContact N-O 2.81Å; F360-F411 PolarHBondContact O-N 3.35Å; F360-H413 HydrophobicContact CD1-CB 3.96Å; F360-H413 HydrophobicContact CE1-CB 4.02Å; F360-N419 HydrophobicContact CE1-CB 4.18Å; F360-N419 HydrophobicContact CZ-CB 4.34Å
361V97.6Very high82.1Confident0 Ų043.4 Ų43.40%024%0.242CC..EExtended strand (participates in β ladder)trans-107.8123.2178.4-170.50000109.9L325 V342 I363 K376 T377 Y388 F408 V410L325-V361 HydrophobicContact CD1-CG2 4.04Å; L325-V361 HydrophobicContact CD2-CG1 4.15Å; V342-V361 HydrophobicContact CG1-CB 4.26Å; V342-V361 HydrophobicContact CG1-CG2 3.86Å; V361-I363 HydrophobicContact CG1-CG1 4.27Å; V361-K376 CarbonylContact O-C 3.59Å; V361-K376 VanDerWaalsContact O-CA 3.28Å; V361-K376 WeakPolarHBondContact O-CA 3.48Å; V361-T377 HydrophobicContact CB-CG2 3.99Å; V361-T377 HydrophobicContact CG2-CG2 4.47Å; V361-T377 PolarHBondContact N-OG1 2.88Å; V361-T377 PolarHBondContact O-N 3.16Å; V361-Y388 HydrophobicContact CG2-CD2 4.47Å; V361-Y388 HydrophobicContact CG2-CE2 3.77Å; V361-F408 HydrophobicContact CG1-CB 4.35Å; V361-F408 HydrophobicContact CG1-CD1 4.3Å; V361-V410 HydrophobicContact CG2-CG2 4.2Å
362K97.6Very high83.5Confident45 Ų4545.7 Ų45.720%0.19626%0.256CS..EExtended strand (participates in β ladder)trans-91.5127166.7-169.2-161.7-72.8177.50108.6Q364 T374 K375 K376 F408 T409 F411K362-Q364 VanDerWaalsContact CD-CD 3.44Å; K362-Q364 HydrophobicContact CD-CG 3.88Å; K362-Q364 HydrophobicContact CG-CG 4.05Å; K362-T374 HydrophobicContact CD-CG2 3.91Å; K362-T374 HydrophobicContact CG-CG2 3.63Å; K362-K375 WeakPolarHBondContact CA-O 3.42Å; K362-K376 HydrophobicContact CB-CG 4.31Å; K362-K376 HydrophobicContact CG-CG 4.05Å; K362-F408 WeakPolarHBondContact O-CA 3.49Å; K362-T409 PolarHBondContact N-O 2.97Å; K362-T409 PolarHBondContact O-N 2.97Å; K362-F411 HydrophobicContact CB-CD2 4.26Å; K362-F411 HydrophobicContact CB-CE2 4.04Å; K362-F411 HydrophobicContact CD-CE2 4.3Å
363I98.1Very high85.3Confident0 Ų049.4 Ų49.40%027%0.271CS..EExtended strand (participates in β ladder)trans-113.9120.4-178.9-47.6164.1000107.8V342 V361 T374 K375 F392 F394 L406 F408V342-I363 HydrophobicContact CG2-CD1 3.6Å; V342-I363 HydrophobicContact CG2-CG1 4.23Å; V361-I363 HydrophobicContact CG1-CG1 4.27Å; I363-T374 CarbonylContact O-C 3.56Å; I363-T374 WeakPolarHBondContact O-CA 3.32Å; I363-K375 PolarHBondContact N-O 2.92Å; I363-K375 PolarHBondContact O-N 2.78Å; I363-F392 HydrophobicContact CD1-CB 4.24Å; I363-F392 HydrophobicContact CD1-CD1 4.35Å; I363-F392 HydrophobicContact CD1-CD2 3.2Å; I363-F392 HydrophobicContact CD1-CE2 3.51Å; I363-F392 HydrophobicContact CD1-CG 3.66Å; I363-F392 HydrophobicContact CD1-CZ 4.2Å; I363-F394 HydrophobicContact CB-CZ 4.27Å; I363-F394 HydrophobicContact CG2-CE2 3.98Å; I363-F394 HydrophobicContact CG2-CZ 3.73Å; I363-L406 HydrophobicContact CG2-CD2 4.37Å; I363-F408 HydrophobicContact CG1-CD1 4.02Å; I363-F408 HydrophobicContact CG1-CE1 4.18Å; I363-F408 HydrophobicContact CG2-CD1 4.12Å; I363-F408 HydrophobicContact CG2-CE1 3.84Å; I363-F408 HydrophobicContact CG2-CZ 4.33Å
364Q98.1Very high87.6Confident6 Ų647.4 Ų47.43%0.02826%0.259CS..EExtended strand (participates in β ladder)trans-124.1114.5-173.3-67.4179-97.500110K362 L371 K373 T374 L406 V407 V473K362-Q364 VanDerWaalsContact CD-CD 3.44Å; K362-Q364 HydrophobicContact CD-CG 3.88Å; K362-Q364 HydrophobicContact CG-CG 4.05Å; Q364-L371 HydrophobicContact CB-CD1 3.81Å; Q364-L371 HydrophobicContact CG-CD1 4.23Å; Q364-K373 CarbonylContact C-O 3.55Å; Q364-K373 WeakPolarHBondContact CA-O 3.3Å; Q364-T374 HydrophobicContact CG-CG2 3.94Å; Q364-L406 WeakPolarHBondContact O-CA 3.41Å; Q364-V407 HydrophobicContact CB-CB 4.36Å; Q364-V407 PolarHBondContact N-O 2.85Å; Q364-V407 PolarHBondContact O-N 3.18Å; Q364-V473 HydrophobicContact CB-CB 4.48Å; Q364-V473 HydrophobicContact CB-CG1 3.74Å; Q364-V473 HydrophobicContact CG-CG1 4.34Å
365L97.8Very high90Very high8 Ų845 Ų454%0.04224%0.235CC..EExtended strand (participates in β ladder)trans-81115.5171.2176.267.3000108.9V372 K373 F394 V396 A404 L406L365-V372 HydrophobicContact CD2-CB 4.38Å; L365-V372 HydrophobicContact CD2-CG1 4.45Å; L365-V372 HydrophobicContact CG-CB 4.42Å; L365-V372 PolarHBondContact O-N 3.27Å; L365-K373 HydrophobicContact CB-CB 4.4Å; L365-K373 PolarHBondContact N-O 2.93Å; L365-K373 PolarHBondContact O-N 3.3Å; L365-F394 HydrophobicContact CB-CD1 3.8Å; L365-F394 HydrophobicContact CB-CE1 3.93Å; L365-F394 HydrophobicContact CD2-CB 4.25Å; L365-F394 HydrophobicContact CD2-CD1 3.99Å; L365-F394 HydrophobicContact CD2-CG 4.46Å; L365-F394 HydrophobicContact CG-CD1 4.49Å; L365-V396 HydrophobicContact CD1-CG2 4.23Å; L365-V396 HydrophobicContact CD2-CG2 3.83Å; L365-A404 HydrophobicContact CD1-CB 4.21Å; L365-L406 HydrophobicContact CB-CD2 4.2Å; L365-L406 HydrophobicContact CD1-CD2 3.99Å
366V97.3Very high92.1Very high2 Ų243.8 Ų43.81%0.01223%0.228CC..EExtended strand (participates in β ladder)trans-103.6135.5169.3-179.80000107.9K370 A404 S405 V407 A469 E472 V473V366-K370 CarbonylContact C-O 3.54Å; V366-K370 VanDerWaalsContact CA-O 3.29Å; V366-K370 WeakPolarHBondContact CA-O 3.34Å; V366-A404 CarbonylContact O-C 3.49Å; V366-A404 WeakPolarHBondContact O-CA 3.43Å; V366-S405 PolarHBondContact N-O 2.95Å; V366-S405 PolarHBondContact O-N 3.48Å; V366-V407 HydrophobicContact CG2-CG2 4.12Å; V366-A469 HydrophobicContact CB-CB 4.14Å; V366-A469 HydrophobicContact CG1-CB 3.98Å; V366-A469 HydrophobicContact CG2-CB 4.4Å; V366-E472 HydrophobicContact CG1-CB 4.13Å; V366-E472 HydrophobicContact CG1-CG 4.29Å; V366-E472 HydrophobicContact CG2-CB 4.3Å; V366-V473 HydrophobicContact CG2-CG1 3.56Å
367H94.3Very high94.1Very high51 Ų5143.5 Ų43.524%0.23622%0.222CC..EExtended strand (participates in β ladder)trans-136132.6172.8171.985.9000108.8L369 K370 V372 E400 N403H367-L369 PolarHBondContact O-N 3.19Å; H367-K370 PolarHBondContact N-O 3.38Å; H367-K370 PolarHBondContact O-N 2.86Å; H367-V372 HydrophobicContact CB-CG2 3.73Å; H367-E400 VanDerWaalsContact CE1-CB 3.49Å; H367-E400 WeakPolarHBondContact CE1-CB 3.29Å; H367-E400 PolarHBondContact CE1-O 2.9Å; H367-E400 VanDerWaalsContact CE1-O 3.29Å; H367-E400 PolarHBondContact ND1-O 3.42Å; H367-N403 WeakPolarHBondContact CA-O 3.45Å
368G90.2Very high95.4Very high41 Ų4146.2 Ų46.242%0.42324%0.241SC..THydrogen-bonded Turntrans54.538.8-179.700000113.5K370 N403G368-K370 VanDerWaalsContact C-N 3.34Å; G368-K370 PolarHBondContact O-N 2.65Å; G368-N403 PolarHBondContact N-O 3.03Å; G368-N403 VanDerWaalsContact N-O 3.12Å
369L91.4Very high95.6Very high59 Ų5949.2 Ų49.231%0.30925%0.254SS..THydrogen-bonded Turntrans54.242.8-172.8-55.1179.6000114H367 Y430 P468 E472H367-L369 PolarHBondContact O-N 3.19Å; L369-Y430 HydrophobicContact CD2-CD2 3.81Å; L369-Y430 HydrophobicContact CD2-CE1 4.33Å; L369-Y430 HydrophobicContact CD2-CE2 3.44Å; L369-Y430 VanDerWaalsContact CD2-CE2 3.44Å; L369-Y430 HydrophobicContact CD2-CG 4.39Å; L369-Y430 HydrophobicContact CG-CE2 4.1Å; L369-P468 HydrophobicContact CD1-CB 4.33Å; L369-P468 HydrophobicContact CD2-CB 3.65Å; L369-E472 HydrophobicContact CB-CG 4.18Å
370K94Very high95.4Very high150 Ų15051.8 Ų51.865%0.65227%0.267SS*.EExtended strand (participates in β ladder)trans-137.9136.8167.9-64.1-177.5-177.8175.30110.9V366 H367 G368 V372V366-K370 CarbonylContact C-O 3.54Å; V366-K370 VanDerWaalsContact CA-O 3.29Å; V366-K370 WeakPolarHBondContact CA-O 3.34Å; H367-K370 PolarHBondContact N-O 3.38Å; H367-K370 PolarHBondContact O-N 2.86Å; G368-K370 VanDerWaalsContact C-N 3.34Å; G368-K370 PolarHBondContact O-N 2.65Å; K370-V372 PolarHBondContact O-N 2.66Å; K370-V372 VanDerWaalsContact O-N 3.17Å
371L96.3Very high94.8Very high73 Ų7359.5 Ų59.538%0.38230%0.296SS..EExtended strand (participates in β ladder)trans-66.9110.3172.617655000110.7Q364 V473Q364-L371 HydrophobicContact CB-CD1 3.81Å; Q364-L371 HydrophobicContact CG-CD1 4.23Å; L371-V473 HydrophobicContact CD1-CG1 4.14Å
372V95.4Very high93.9Very high90 Ų9061.8 Ų61.855%0.54532%0.319SS..EExtended strand (participates in β ladder)trans-89.5-45.4179.2-179.20000111.5L365 H367 K370L365-V372 HydrophobicContact CD2-CB 4.38Å; L365-V372 HydrophobicContact CD2-CG1 4.45Å; L365-V372 HydrophobicContact CG-CB 4.42Å; L365-V372 PolarHBondContact O-N 3.27Å; H367-V372 HydrophobicContact CB-CG2 3.73Å; K370-V372 PolarHBondContact O-N 2.66Å; K370-V372 VanDerWaalsContact O-N 3.17Å
373K96.6Very high93.1Very high114 Ų11461.4 Ų61.450%0.49632%0.321SS..EExtended strand (participates in β ladder)trans-153.7131.8-172.5-164.2158.9-168.2159.30113.5Q364 L365 F394Q364-K373 CarbonylContact C-O 3.55Å; Q364-K373 WeakPolarHBondContact CA-O 3.3Å; L365-K373 HydrophobicContact CB-CB 4.4Å; L365-K373 PolarHBondContact N-O 2.93Å; L365-K373 PolarHBondContact O-N 3.3Å; K373-F394 HydrophobicContact CB-CD1 4.34Å; K373-F394 HydrophobicContact CB-CE1 4.3Å; K373-F394 HydrophobicContact CD-CD1 4.45Å; K373-F394 HydrophobicContact CG-CD1 4.49Å; K373-F394 HydrophobicContact CG-CE1 4.35Å
374T97.8Very high92.3Very high61 Ų6163 Ų6337%0.37433%0.329SS..EExtended strand (participates in β ladder)trans-105.2140.6171-59.10000110.7K362 I363 Q364K362-T374 HydrophobicContact CD-CG2 3.91Å; K362-T374 HydrophobicContact CG-CG2 3.63Å; I363-T374 CarbonylContact O-C 3.56Å; I363-T374 WeakPolarHBondContact O-CA 3.32Å; Q364-T374 HydrophobicContact CG-CG2 3.94Å
375K98.1Very high91.6Very high52 Ų5266.6 Ų66.623%0.22635%0.349CS..EExtended strand (participates in β ladder)trans-131.9166.6164.5-61.1-162.9-173.1-174.10109.7K362 I363 F392 S393 F394K362-K375 WeakPolarHBondContact CA-O 3.42Å; I363-K375 PolarHBondContact N-O 2.92Å; I363-K375 PolarHBondContact O-N 2.78Å; K375-F392 HydrophobicContact CB-CD1 4.03Å; K375-F392 HydrophobicContact CB-CE1 4.36Å; K375-F392 HydrophobicContact CD-CB 4.05Å; K375-F392 HydrophobicContact CD-CD1 3.58Å; K375-F392 HydrophobicContact CD-CG 4.2Å; K375-F392 HydrophobicContact CG-CD1 4.49Å; K375-S393 WeakPolarHBondContact CE-O 3.32Å; K375-S393 PolarHBondContact NZ-O 3.23Å; K375-F394 HydrophobicContact CB-CZ 4.28Å; K375-F394 HydrophobicContact CD-CE1 4.21Å; K375-F394 HydrophobicContact CD-CE2 4.4Å; K375-F394 HydrophobicContact CD-CZ 3.91Å; K375-F394 HydrophobicContact CG-CE1 4.02Å; K375-F394 HydrophobicContact CG-CZ 3.91Å
376K97Very high91.3Very high113 Ų11366.3 Ų66.349%0.49135%0.347SS..EExtended strand (participates in β ladder)trans-142.1149.1177.3-64.3179.4-178-179.70109.5F360 V361 K362 F392F360-K376 HydrophobicContact CD2-CD 4.37Å; F360-K376 HydrophobicContact CE2-CD 4.01Å; F360-K376 HydrophobicContact CE2-CG 4.44Å; V361-K376 CarbonylContact O-C 3.59Å; V361-K376 VanDerWaalsContact O-CA 3.28Å; V361-K376 WeakPolarHBondContact O-CA 3.48Å; K362-K376 HydrophobicContact CB-CG 4.31Å; K362-K376 HydrophobicContact CG-CG 4.05Å; K376-F392 WeakPolarHBondContact O-CE1 3.49Å
377T97.4Very high91.1Very high12 Ų1272.2 Ų72.27%0.07437%0.373CS..PPolyproline II helixtrans-71.8170162.862.30000111.3V342 V361 Y388 E390 F392V342-T377 HydrophobicContact CB-CG2 4.03Å; V342-T377 HydrophobicContact CG1-CG2 4.04Å; V342-T377 HydrophobicContact CG2-CG2 4.24Å; V361-T377 HydrophobicContact CB-CG2 3.99Å; V361-T377 HydrophobicContact CG2-CG2 4.47Å; V361-T377 PolarHBondContact N-OG1 2.88Å; V361-T377 PolarHBondContact O-N 3.16Å; T377-Y388 HydrophobicContact CG2-CD1 4.17Å; T377-Y388 HydrophobicContact CG2-CG 4.29Å; T377-E390 VanDerWaalsContact CA-OE2 3.26Å; T377-E390 WeakPolarHBondContact CA-OE2 3.34Å; T377-E390 WeakPolarHBondContact CB-OE1 3.45Å; T377-E390 HydrophobicContact CG2-CB 4.42Å; T377-F392 HydrophobicContact CG2-CE2 3.84Å; T377-F392 HydrophobicContact CG2-CZ 3.87Å
378S94.8Very high91.2Very high59 Ų5970.7 Ų70.741%0.41337%0.365SS..PPolyproline II helixtrans-57.5159.2151.9680000111F360 Y388 E390F360-S378 WeakPolarHBondContact CB-O 3.37Å; S378-Y388 WeakPolarHBondContact O-CE1 3.31Å; S378-E390 VanDerWaalsContact CB-OE1 3.27Å; S378-E390 WeakPolarHBondContact CB-OE1 3.37Å; S378-E390 PolarHBondContact N-OE1 3.2Å; S378-E390 PolarHBondContact N-OE2 2.87Å; S378-E390 PolarHBondContact OG-OE1 2.86Å
379F91.1Very high91.4Very high84 Ų8473.6 Ų73.637%0.36837%0.371SS..PPolyproline II helixtrans-97.9139.5168.467.7-83000109.1D358 P359 F360 R381 H413D358-F379 HydrophobicContact CB-CD2 4.11Å; P359-F379 WeakPolarHBondContact O-CA 3.21Å; F360-F379 HydrophobicContact CB-CB 3.92Å; F360-F379 HydrophobicContact CD1-CB 4.41Å; F379-R381 HydrophobicContact CD2-CG 4.22Å; F379-R381 HydrophobicContact CE2-CG 4.01Å; F379-H413 HydrophobicContact CB-CB 4.39Å; F379-H413 AromaticContact CD2-CD2 4Å; F379-H413 AromaticContact CE2-CD2 3.91Å
380L86.3Confident91.8Very high54 Ų5472.9 Ų72.928%0.28337%0.366SS..  trans-108133.9176.6-68.7171.1000108.4D358 P359 T383 P386 F387 Y388D358-L380 CarbonylContact C-O 3.56Å; D358-L380 WeakPolarHBondContact CA-O 3.25Å; P359-L380 WeakPolarHBondContact CD-O 3.3Å; P359-L380 PolarHBondContact O-N 2.77Å; P359-L380 VanDerWaalsContact O-N 3.16Å; L380-T383 HydrophobicContact CB-CG2 3.86Å; L380-P386 HydrophobicContact CB-CB 4.3Å; L380-P386 HydrophobicContact CD1-CB 3.68Å; L380-F387 WeakPolarHBondContact CD1-O 3.27Å; L380-Y388 HydrophobicContact CD1-CD1 3.88Å; L380-Y388 HydrophobicContact CD1-CE1 4.1Å; L380-Y388 HydrophobicContact CD1-CG 4.39Å; L380-Y388 HydrophobicContact CG-CD1 4.33Å; L380-Y388 HydrophobicContact CG-CE1 4.35Å
381R84.7Confident91.9Very high175 Ų17570 Ų7066%0.6637%0.365SS*.SBendtrans-85141.7-168.9-59.6-163.5-178.7-172.6-5.1113.8D358 F379 T383D358-R381 WeakPolarHBondContact OD1-CA 3.09Å; D358-R381 WeakPolarHBondContact OD2-CG 3.34Å; F379-R381 HydrophobicContact CD2-CG 4.22Å; F379-R381 HydrophobicContact CE2-CG 4.01Å; R381-T383 VanDerWaalsContact C-N 3.33Å; R381-T383 PolarHBondContact O-N 3.48Å
382G78.6Confident92Very high48 Ų4867.5 Ų67.550%0.49535%0.351SS..SBendtrans53.342.6169.100000114.5S357 D358S357-G382 CarbonylContact O-C 3.53Å; S357-G382 WeakPolarHBondContact O-CA 3.38Å; S357-G382 PolarHBondContact O-N 2.79Å; D358-G382 PolarHBondContact OD1-N 2.89Å
383T79.8Confident92.1Very high38 Ų3865.4 Ų65.423%0.23334%0.34CS..  trans-140.1142.5-176.7-176.10000112.7S357 P359 L380 R381 D385 P386S357-T383 PolarHBondContact O-N 2.88Å; P359-T383 WeakPolarHBondContact CD-O 3.37Å; P359-T383 HydrophobicContact CG-CG2 4.08Å; P359-T383 WeakPolarHBondContact CG-O 3.31Å; L380-T383 HydrophobicContact CB-CG2 3.86Å; R381-T383 VanDerWaalsContact C-N 3.33Å; R381-T383 PolarHBondContact O-N 3.48Å; T383-D385 PolarHBondContact OG1-N 3.05Å; T383-D385 VanDerWaalsContact OG1-N 3.12Å; T383-P386 HydrophobicContact CG2-CB 4.07Å
384I82.4Confident92.1Very high32 Ų3260 Ų6016%0.16432%0.317CS..SBendtrans-103.5-5.4169.960.8172.2000112.5K346 Q347 L348 Q350 P386K346-I384 CarbonylContact C-O 3.54Å; Q347-I384 CarbonylContact C-O 3.58Å; Q347-I384 PolarHBondContact N-O 3.29Å; Q347-I384 VanDerWaalsContact N-O 3.12Å; L348-I384 HydrophobicContact CB-CB 4.33Å; L348-I384 WeakPolarHBondContact CB-O 3.44Å; L348-I384 WeakPolarHBondContact CG-O 3.14Å; L348-I384 PolarHBondContact N-O 3.36Å; L348-I384 WeakPolarHBondContact O-CB 3.32Å; L348-I384 VanDerWaalsContact O-CG2 3.32Å; L348-I384 WeakPolarHBondContact O-CG2 3.31Å; Q350-I384 HydrophobicContact CB-CG2 4.3Å; I384-P386 VanDerWaalsContact O-CD 3.31Å; I384-P386 WeakPolarHBondContact O-CD 3.11Å
385D83.1Confident92Very high83 Ų8365.8 Ų65.844%0.44434%0.337SS..SBendtrans-121.260.9177-66.9-75.9000111.2A345 K346 Q347 T383 F387A345-D385 CarbonylContact O-C 3.58Å; K346-D385 WeakPolarHBondContact CA-OD1 3.42Å; K346-D385 VanDerWaalsContact CB-OD1 3.24Å; K346-D385 WeakPolarHBondContact CB-OD1 3.38Å; Q347-D385 PolarHBondContact N-OD1 3.43Å; T383-D385 PolarHBondContact OG1-N 3.05Å; T383-D385 VanDerWaalsContact OG1-N 3.12Å; D385-F387 PolarHBondContact O-N 2.94Å
386P90.9Very high91.9Very high1 Ų163.5 Ų63.51%0.00633%0.327CS..  trans-69.6128.8-176.128.6-36.1000112.6R344 A345 L348 P359 L380 T383 I384 Y388R344-P386 CarbonylContact C-O 3.57Å; R344-P386 WeakPolarHBondContact CA-O 3.21Å; R344-P386 VanDerWaalsContact CB-O 3.27Å; R344-P386 WeakPolarHBondContact CB-O 3.39Å; A345-P386 HydrophobicContact CB-CG 3.74Å; A345-P386 PolarHBondContact N-O 3.15Å; L348-P386 HydrophobicContact CD1-CG 3.72Å; P359-P386 HydrophobicContact CB-CG 4.19Å; P359-P386 HydrophobicContact CG-CB 3.82Å; P359-P386 HydrophobicContact CG-CG 3.65Å; L380-P386 HydrophobicContact CB-CB 4.3Å; L380-P386 HydrophobicContact CD1-CB 3.68Å; T383-P386 HydrophobicContact CG2-CB 4.07Å; I384-P386 VanDerWaalsContact O-CD 3.31Å; I384-P386 WeakPolarHBondContact O-CD 3.11Å; P386-Y388 HydrophobicContact CB-CD2 4.27Å; P386-Y388 HydrophobicContact CB-CE1 4.05Å; P386-Y388 HydrophobicContact CB-CE2 3.65Å; P386-Y388 HydrophobicContact CG-CD2 4.46Å; P386-Y388 HydrophobicContact CG-CE2 3.54Å; P386-Y388 WeakPolarHBondContact CG-OH 3.14Å
387F93.2Very high91.7Very high127 Ų12760.4 Ų60.456%0.55732%0.318SS*.EExtended strand (participates in β ladder)trans-102.599.2170.1-174.7-95000109.8I343 R344 L380 D385 N389I343-F387 HydrophobicContact CG2-CE2 4.29Å; R344-F387 HydrophobicContact CB-CD2 3.96Å; L380-F387 WeakPolarHBondContact CD1-O 3.27Å; D385-F387 PolarHBondContact O-N 2.94Å; F387-N389 HydrophobicContact CD1-CB 4.37Å; F387-N389 HydrophobicContact CE1-CB 3.71Å; F387-N389 HydrophobicContact CZ-CB 3.92Å
388Y95.6Very high91.4Very high18 Ų1865.7 Ų65.77%0.07134%0.342CS..EExtended strand (participates in β ladder)trans-86.3-52.8-175.4-58.2-79.5000111.9V342 I343 P359 F360 V361 T377 S378 L380 P386 E390V342-Y388 HydrophobicContact CG1-CD2 3.72Å; V342-Y388 HydrophobicContact CG1-CE2 4.3Å; V342-Y388 HydrophobicContact CG1-CG 4.24Å; V342-Y388 WeakPolarHBondContact O-CB 3.07Å; I343-Y388 PolarHBondContact O-N 2.81Å; P359-Y388 VanDerWaalsContact C-OH 3.22Å; P359-Y388 WeakPolarHBondContact CB-OH 3.36Å; P359-Y388 PolarHBondContact O-OH 2.82Å; P359-Y388 VanDerWaalsContact O-OH 3.12Å; F360-Y388 WeakPolarHBondContact CA-OH 3.42Å; F360-Y388 PolarHBondContact N-OH 2.83Å; V361-Y388 HydrophobicContact CG2-CD2 4.47Å; V361-Y388 HydrophobicContact CG2-CE2 3.77Å; T377-Y388 HydrophobicContact CG2-CD1 4.17Å; T377-Y388 HydrophobicContact CG2-CG 4.29Å; S378-Y388 WeakPolarHBondContact O-CE1 3.31Å; L380-Y388 HydrophobicContact CD1-CD1 3.88Å; L380-Y388 HydrophobicContact CD1-CE1 4.1Å; L380-Y388 HydrophobicContact CD1-CG 4.39Å; L380-Y388 HydrophobicContact CG-CD1 4.33Å; L380-Y388 HydrophobicContact CG-CE1 4.35Å; P386-Y388 HydrophobicContact CB-CD2 4.27Å; P386-Y388 HydrophobicContact CB-CE1 4.05Å; P386-Y388 HydrophobicContact CB-CE2 3.65Å; P386-Y388 HydrophobicContact CG-CD2 4.46Å; P386-Y388 HydrophobicContact CG-CE2 3.54Å; P386-Y388 WeakPolarHBondContact CG-OH 3.14Å; Y388-E390 VanDerWaalsContact C-N 3.3Å; Y388-E390 PolarHBondContact O-N 2.85Å
389N95.9Very high91.3Very high102 Ų10269.9 Ų69.955%0.54536%0.356SS..EExtended strand (participates in β ladder)trans50.444.8-172.2-161.251.4000113.6V342 I343 F387V342-N389 WeakPolarHBondContact O-CA 3.4Å; V342-N389 PolarHBondContact O-N 2.99Å; V342-N389 VanDerWaalsContact O-N 3.08Å; I343-N389 PolarHBondContact O-N 3.18Å; F387-N389 HydrophobicContact CD1-CB 4.37Å; F387-N389 HydrophobicContact CE1-CB 3.71Å; F387-N389 HydrophobicContact CZ-CB 3.92Å
390E98Very high91.4Very high45 Ų4570 Ų7021%0.2136%0.357CS..EExtended strand (participates in β ladder)trans-107.1126.6-175.6-71.6-174.8-129.900112.6D341 V342 T377 S378 Y388 F392D341-E390 WeakPolarHBondContact CA-O 3.21Å; V342-E390 PolarHBondContact N-O 3.34Å; V342-E390 PolarHBondContact O-N 2.84Å; T377-E390 VanDerWaalsContact CA-OE2 3.26Å; T377-E390 WeakPolarHBondContact CA-OE2 3.34Å; T377-E390 WeakPolarHBondContact CB-OE1 3.45Å; T377-E390 HydrophobicContact CG2-CB 4.42Å; S378-E390 VanDerWaalsContact CB-OE1 3.27Å; S378-E390 WeakPolarHBondContact CB-OE1 3.37Å; S378-E390 PolarHBondContact N-OE1 3.2Å; S378-E390 PolarHBondContact N-OE2 2.87Å; S378-E390 PolarHBondContact OG-OE1 2.86Å; Y388-E390 VanDerWaalsContact C-N 3.3Å; Y388-E390 PolarHBondContact O-N 2.85Å; E390-F392 HydrophobicContact CB-CE2 3.63Å; E390-F392 HydrophobicContact CB-CZ 3.78Å; E390-F392 WeakPolarHBondContact O-CD2 3.27Å; E390-F392 WeakPolarHBondContact O-CE2 3.29Å; E390-F392 WeakPolarHBondContact OE2-CZ 3.19Å
391S97.2Very high91.6Very high89 Ų8967.7 Ų67.762%0.62235%0.345SS*.EExtended strand (participates in β ladder)trans-97.7132.3-178.1-65.10000113.7D341D341-S391 WeakPolarHBondContact OD1-CA 3.2Å; D341-S391 WeakPolarHBondContact OD1-CB 3.18Å; D341-S391 PolarHBondContact OD1-OG 2.9Å
392F98Very high91.9Very high21 Ų2165.4 Ų65.49%0.09234%0.342CS..EExtended strand (participates in β ladder)trans-128.8117.7-177.4-59.9-79.5000112.4V340 V342 I363 K375 K376 T377 E390 F394V340-F392 HydrophobicContact CB-CB 4.47Å; V340-F392 PolarHBondContact N-O 2.61Å; V340-F392 PolarHBondContact O-N 3.4Å; V342-F392 HydrophobicContact CB-CE2 4.41Å; V342-F392 HydrophobicContact CG2-CD2 4.24Å; V342-F392 HydrophobicContact CG2-CE2 4.06Å; I363-F392 HydrophobicContact CD1-CB 4.24Å; I363-F392 HydrophobicContact CD1-CD1 4.35Å; I363-F392 HydrophobicContact CD1-CD2 3.2Å; I363-F392 HydrophobicContact CD1-CE2 3.51Å; I363-F392 HydrophobicContact CD1-CG 3.66Å; I363-F392 HydrophobicContact CD1-CZ 4.2Å; K375-F392 HydrophobicContact CB-CD1 4.03Å; K375-F392 HydrophobicContact CB-CE1 4.36Å; K375-F392 HydrophobicContact CD-CB 4.05Å; K375-F392 HydrophobicContact CD-CD1 3.58Å; K375-F392 HydrophobicContact CD-CG 4.2Å; K375-F392 HydrophobicContact CG-CD1 4.49Å; K376-F392 WeakPolarHBondContact O-CE1 3.49Å; T377-F392 HydrophobicContact CG2-CE2 3.84Å; T377-F392 HydrophobicContact CG2-CZ 3.87Å; E390-F392 HydrophobicContact CB-CE2 3.63Å; E390-F392 HydrophobicContact CB-CZ 3.78Å; E390-F392 WeakPolarHBondContact O-CD2 3.27Å; E390-F392 WeakPolarHBondContact O-CE2 3.29Å; E390-F392 WeakPolarHBondContact OE2-CZ 3.19Å; F392-F394 HydrophobicContact CB-CE2 4.01Å
393S96.8Very high92.6Very high46 Ų4665.7 Ų65.732%0.32233%0.332SS..EExtended strand (participates in β ladder)trans-98.7127.6174.8-164.90000113.2R337 N339 K375R337-S393 WeakPolarHBondContact CD-OG 3.43Å; N339-S393 VanDerWaalsContact OD1-CB 3.22Å; N339-S393 WeakPolarHBondContact OD1-CB 3.43Å; N339-S393 PolarHBondContact OD1-OG 2.94Å; K375-S393 WeakPolarHBondContact CE-O 3.32Å; K375-S393 PolarHBondContact NZ-O 3.23Å
394F97.1Very high93.4Very high1 Ų163.9 Ų63.90%0.00432%0.321CS..EExtended strand (participates in β ladder)trans-110140.8173.1-63.7-95.4000109.5R337 L338 V340 I363 L365 K373 K375 F392 V396 L406R337-F394 WeakPolarHBondContact CA-O 3.44Å; L338-F394 HydrophobicContact CB-CB 4.42Å; L338-F394 PolarHBondContact N-O 3.41Å; L338-F394 PolarHBondContact O-N 3.49Å; V340-F394 HydrophobicContact CB-CE2 4.47Å; V340-F394 HydrophobicContact CG2-CD2 4.07Å; V340-F394 HydrophobicContact CG2-CE2 4.1Å; I363-F394 HydrophobicContact CB-CZ 4.27Å; I363-F394 HydrophobicContact CG2-CE2 3.98Å; I363-F394 HydrophobicContact CG2-CZ 3.73Å; L365-F394 HydrophobicContact CB-CD1 3.8Å; L365-F394 HydrophobicContact CB-CE1 3.93Å; L365-F394 HydrophobicContact CD2-CB 4.25Å; L365-F394 HydrophobicContact CD2-CD1 3.99Å; L365-F394 HydrophobicContact CD2-CG 4.46Å; L365-F394 HydrophobicContact CG-CD1 4.49Å; K373-F394 HydrophobicContact CB-CD1 4.34Å; K373-F394 HydrophobicContact CB-CE1 4.3Å; K373-F394 HydrophobicContact CD-CD1 4.45Å; K373-F394 HydrophobicContact CG-CD1 4.49Å; K373-F394 HydrophobicContact CG-CE1 4.35Å; K375-F394 HydrophobicContact CB-CZ 4.28Å; K375-F394 HydrophobicContact CD-CE1 4.21Å; K375-F394 HydrophobicContact CD-CE2 4.4Å; K375-F394 HydrophobicContact CD-CZ 3.91Å; K375-F394 HydrophobicContact CG-CE1 4.02Å; K375-F394 HydrophobicContact CG-CZ 3.91Å; F392-F394 HydrophobicContact CB-CE2 4.01Å; F394-V396 HydrophobicContact CB-CG2 4.22Å; F394-L406 HydrophobicContact CD2-CD2 4.4Å; F394-L406 HydrophobicContact CE2-CD2 4.27Å; F394-L406 HydrophobicContact CZ-CD2 4.49Å
395K95.8Very high94.1Very high181 Ų18162.3 Ų62.379%0.78731%0.313SS*.EExtended strand (participates in β ladder)trans-86118.5170-66.7-173.9177.9-173.10107.5G336G336-K395 CarbonylContact O-C 3.45Å; G336-K395 WeakPolarHBondContact O-CA 3.41Å
396V95.2Very high94.8Very high4 Ų458.4 Ų58.42%0.02429%0.292CS..  trans-143104178.6-173.30000106.5Y331 G336 L338 L365 F394 E400 L401 A404Y331-V396 WeakPolarHBondContact CE2-O 3.48Å; Y331-V396 PolarHBondContact OH-O 3.33Å; G336-V396 CarbonylContact C-O 3.19Å; G336-V396 WeakPolarHBondContact CA-O 3.38Å; G336-V396 CarbonylContact O-C 3.6Å; G336-V396 PolarHBondContact O-N 3.41Å; L338-V396 HydrophobicContact CB-CG2 4.18Å; L338-V396 HydrophobicContact CD2-CG2 4.39Å; L365-V396 HydrophobicContact CD1-CG2 4.23Å; L365-V396 HydrophobicContact CD2-CG2 3.83Å; F394-V396 HydrophobicContact CB-CG2 4.22Å; V396-E400 HydrophobicContact CG1-CB 4.17Å; V396-L401 HydrophobicContact CB-CD1 4.47Å; V396-L401 HydrophobicContact CG1-CB 4.2Å; V396-L401 HydrophobicContact CG1-CD1 3.9Å; V396-A404 HydrophobicContact CG1-CB 4.22Å
397P94.4Very high95.1Very high48 Ų4858.3 Ų58.331%0.31229%0.292SS..  trans-50.9155.5169.6-24.834.2000111.8E399 E400 L401P397-E399 WeakPolarHBondContact CB-OE2 3.43Å; P397-E399 PolarHBondContact O-N 3.32Å; P397-E400 HydrophobicContact CB-CB 4.35Å; P397-E400 HydrophobicContact CB-CG 4.25Å; P397-E400 WeakPolarHBondContact CD-OE2 3.43Å; P397-E400 HydrophobicContact CG-CG 4.23Å; P397-E400 PolarHBondContact O-N 2.71Å; P397-E400 VanDerWaalsContact O-N 3.14Å; P397-L401 PolarHBondContact O-N 2.81Å
398Q91.4Very high95.4Very high123 Ų12352.3 Ų52.358%0.57527%0.265SS*.Hα-helixtrans-67.7-32.1-174.8-177.8171.7-21.100111.4Y331 E400 L401Y331-Q398 WeakPolarHBondContact OH-CA 3.35Å; Y331-Q398 PolarHBondContact OH-N 2.98Å; Q398-E400 VanDerWaalsContact C-N 3.3Å; Q398-E400 PolarHBondContact O-N 3.04Å; Q398-L401 WeakPolarHBondContact O-CB 3.49Å; Q398-L401 PolarHBondContact O-N 2.94Å
399E91.6Very high95.5Very high148 Ų14851.4 Ų51.469%0.69226%0.262SS*.Hα-helixtrans-66.7-30.3175.4-50.277.8-173.200111.9P397P397-E399 WeakPolarHBondContact CB-OE2 3.43Å; P397-E399 PolarHBondContact O-N 3.32Å
400E92.4Very high95.4Very high85 Ų8546.6 Ų46.640%0.39724%0.236SC..Hα-helixtrans-88.8-14.9-179.8-71.7-177.7-162.200113.2H367 V396 P397 Q398 E402 N403 A404H367-E400 VanDerWaalsContact CE1-CB 3.49Å; H367-E400 WeakPolarHBondContact CE1-CB 3.29Å; H367-E400 PolarHBondContact CE1-O 2.9Å; H367-E400 VanDerWaalsContact CE1-O 3.29Å; H367-E400 PolarHBondContact ND1-O 3.42Å; V396-E400 HydrophobicContact CG1-CB 4.17Å; P397-E400 HydrophobicContact CB-CB 4.35Å; P397-E400 HydrophobicContact CB-CG 4.25Å; P397-E400 WeakPolarHBondContact CD-OE2 3.43Å; P397-E400 HydrophobicContact CG-CG 4.23Å; P397-E400 PolarHBondContact O-N 2.71Å; P397-E400 VanDerWaalsContact O-N 3.14Å; Q398-E400 VanDerWaalsContact C-N 3.3Å; Q398-E400 PolarHBondContact O-N 3.04Å; E400-E402 PolarHBondContact O-N 2.84Å; E400-N403 PolarHBondContact O-N 2.91Å; E400-A404 PolarHBondContact O-N 3.35Å
401L91.6Very high95.2Very high7 Ų745.3 Ų45.34%0.03723%0.23CC..Hα-helixtrans-68.7-34.4-170.1-171.766.7000113.1Y331 V396 P397 Q398 N403 A404 W440 L444Y331-L401 HydrophobicContact CD1-CD2 3.6Å; Y331-L401 HydrophobicContact CD2-CD1 3.9Å; Y331-L401 HydrophobicContact CD2-CD2 3.89Å; Y331-L401 HydrophobicContact CE1-CD2 3.55Å; Y331-L401 HydrophobicContact CE2-CD1 3.84Å; Y331-L401 HydrophobicContact CE2-CD2 3.85Å; Y331-L401 HydrophobicContact CE2-CG 4.39Å; Y331-L401 HydrophobicContact CG-CD2 3.79Å; V396-L401 HydrophobicContact CB-CD1 4.47Å; V396-L401 HydrophobicContact CG1-CB 4.2Å; V396-L401 HydrophobicContact CG1-CD1 3.9Å; P397-L401 PolarHBondContact O-N 2.81Å; Q398-L401 WeakPolarHBondContact O-CB 3.49Å; Q398-L401 PolarHBondContact O-N 2.94Å; L401-N403 PolarHBondContact O-N 2.86Å; L401-A404 WeakPolarHBondContact O-CB 3.34Å; L401-A404 PolarHBondContact O-N 3.29Å; L401-W440 HydrophobicContact CD1-CH2 3.79Å; L401-W440 HydrophobicContact CD1-CZ2 3.7Å; L401-W440 HydrophobicContact CG-CZ2 4.09Å; L401-L444 HydrophobicContact CD2-CD2 3.33Å; L401-L444 HydrophobicContact CG-CD2 4Å
402E90.9Very high94.8Very high126 Ų12641 Ų4159%0.58920%0.2SC*.THydrogen-bonded Turntrans-63.5-25.9174.751.5158.4-130.900113.2E400 Q429E400-E402 PolarHBondContact O-N 2.84Å; E402-Q429 VanDerWaalsContact O-CB 3.29Å; E402-Q429 WeakPolarHBondContact O-CB 3.46Å; E402-Q429 WeakPolarHBondContact O-CG 3.47Å; E402-Q429 PolarHBondContact O-OE1 2.85Å
403N93.7Very high94Very high54 Ų5442.8 Ų42.829%0.28921%0.208SC..THydrogen-bonded Turntrans-104.59.4-179.5-66.7-59.4000112.5H367 G368 E400 L401H367-N403 WeakPolarHBondContact CA-O 3.45Å; G368-N403 PolarHBondContact N-O 3.03Å; G368-N403 VanDerWaalsContact N-O 3.12Å; E400-N403 PolarHBondContact O-N 2.91Å; L401-N403 PolarHBondContact O-N 2.86Å
404A96.2Very high92.9Very high0 Ų042 Ų420%020%0.2CC..EExtended strand (participates in β ladder)trans-89148.8178.700000112.4L365 V366 V396 E400 L401 Q429 W440L365-A404 HydrophobicContact CD1-CB 4.21Å; V366-A404 CarbonylContact O-C 3.49Å; V366-A404 WeakPolarHBondContact O-CA 3.43Å; V396-A404 HydrophobicContact CG1-CB 4.22Å; E400-A404 PolarHBondContact O-N 3.35Å; L401-A404 WeakPolarHBondContact O-CB 3.34Å; L401-A404 PolarHBondContact O-N 3.29Å; A404-Q429 PolarHBondContact O-N 3.05Å; A404-W440 HydrophobicContact CB-CZ2 4.44Å
405S97.4Very high91.5Very high0 Ų048.2 Ų48.20%023%0.231CC..EExtended strand (participates in β ladder)trans-146.6134.1170.2-67.30000110.3V366 Q429 Y430V366-S405 PolarHBondContact N-O 2.95Å; V366-S405 PolarHBondContact O-N 3.48Å; S405-Q429 PolarHBondContact OG-N 3.12Å; S405-Y430 PolarHBondContact OG-N 2.86Å
406L97.8Very high90.2Very high0 Ų048.5 Ų48.50%023%0.232CC..EExtended strand (participates in β ladder)trans-98.9115.6173.3-67.6172.8000109L329 L338 V340 I363 Q364 L365 F394 F408 V426 I427 W440L329-L406 HydrophobicContact CD2-CD1 4.05Å; L338-L406 HydrophobicContact CD2-CD1 3.82Å; L338-L406 HydrophobicContact CD2-CD2 4.31Å; L338-L406 HydrophobicContact CD2-CG 4.13Å; L338-L406 HydrophobicContact CG-CD1 4.39Å; V340-L406 HydrophobicContact CG2-CD1 3.48Å; V340-L406 VanDerWaalsContact CG2-CD1 3.48Å; I363-L406 HydrophobicContact CG2-CD2 4.37Å; Q364-L406 WeakPolarHBondContact O-CA 3.41Å; L365-L406 HydrophobicContact CB-CD2 4.2Å; L365-L406 HydrophobicContact CD1-CD2 3.99Å; F394-L406 HydrophobicContact CD2-CD2 4.4Å; F394-L406 HydrophobicContact CE2-CD2 4.27Å; F394-L406 HydrophobicContact CZ-CD2 4.49Å; L406-F408 HydrophobicContact CB-CD2 4.29Å; L406-F408 HydrophobicContact CB-CE2 3.53Å; L406-F408 HydrophobicContact CB-CZ 3.99Å; L406-F408 HydrophobicContact CD1-CE2 4.26Å; L406-F408 HydrophobicContact CD1-CZ 4Å; L406-V426 WeakPolarHBondContact O-CA 3.28Å; L406-I427 PolarHBondContact N-O 3.1Å; L406-I427 PolarHBondContact O-N 3.13Å; L406-W440 HydrophobicContact CD1-CZ3 4.34Å
407V98.1Very high89.1Confident0 Ų051.4 Ų51.40%025%0.253CS..EExtended strand (participates in β ladder)trans-94.8120.9170.1-171.40000109Q364 V366 R424 V426 A469 V473Q364-V407 HydrophobicContact CB-CB 4.36Å; Q364-V407 PolarHBondContact N-O 2.85Å; Q364-V407 PolarHBondContact O-N 3.18Å; V366-V407 HydrophobicContact CG2-CG2 4.12Å; V407-R424 HydrophobicContact CG1-CG 3.73Å; V407-V426 HydrophobicContact CB-CG2 4.37Å; V407-V426 HydrophobicContact CG1-CG2 3.99Å; V407-V426 HydrophobicContact CG2-CG1 4.02Å; V407-V426 HydrophobicContact CG2-CG2 3.96Å; V407-A469 HydrophobicContact CG2-CB 4.34Å; V407-A469 WeakPolarHBondContact CG2-O 3.33Å; V407-V473 HydrophobicContact CB-CG1 4.4Å; V407-V473 HydrophobicContact CB-CG2 3.95Å; V407-V473 HydrophobicContact CG1-CG2 3.64Å; V407-V473 HydrophobicContact CG2-CG1 4.16Å; V407-V473 HydrophobicContact CG2-CG2 3.93Å
408F98.1Very high88.4Confident0 Ų053.7 Ų53.70%027%0.27CS..EExtended strand (participates in β ladder)trans-103.4120.2173.6-58.6-100000107.6L325 L327 L329 V340 V361 K362 I363 L406 R424 I425 I427L325-F408 HydrophobicContact CD2-CB 4.19Å; L325-F408 HydrophobicContact CD2-CD1 4.4Å; L327-F408 HydrophobicContact CD1-CD1 3.85Å; L327-F408 HydrophobicContact CD1-CD2 3.89Å; L327-F408 HydrophobicContact CD1-CE1 3.67Å; L327-F408 HydrophobicContact CD1-CE2 3.72Å; L327-F408 HydrophobicContact CD1-CG 3.96Å; L327-F408 HydrophobicContact CD1-CZ 3.61Å; L327-F408 HydrophobicContact CD2-CD1 3.94Å; L327-F408 HydrophobicContact CD2-CE1 3.67Å; L327-F408 HydrophobicContact CD2-CZ 4.33Å; L327-F408 HydrophobicContact CG-CE1 4.32Å; L329-F408 HydrophobicContact CD2-CZ 4.5Å; V340-F408 HydrophobicContact CG1-CE1 3.52Å; V340-F408 HydrophobicContact CG1-CZ 3.6Å; V361-F408 HydrophobicContact CG1-CB 4.35Å; V361-F408 HydrophobicContact CG1-CD1 4.3Å; K362-F408 WeakPolarHBondContact O-CA 3.49Å; I363-F408 HydrophobicContact CG1-CD1 4.02Å; I363-F408 HydrophobicContact CG1-CE1 4.18Å; I363-F408 HydrophobicContact CG2-CD1 4.12Å; I363-F408 HydrophobicContact CG2-CE1 3.84Å; I363-F408 HydrophobicContact CG2-CZ 4.33Å; L406-F408 HydrophobicContact CB-CD2 4.29Å; L406-F408 HydrophobicContact CB-CE2 3.53Å; L406-F408 HydrophobicContact CB-CZ 3.99Å; L406-F408 HydrophobicContact CD1-CE2 4.26Å; L406-F408 HydrophobicContact CD1-CZ 4Å; F408-R424 VanDerWaalsContact O-CA 3.28Å; F408-R424 WeakPolarHBondContact O-CA 3.46Å; F408-R424 WeakPolarHBondContact O-CG 3.4Å; F408-I425 HydrophobicContact CB-CD1 4.38Å; F408-I425 HydrophobicContact CB-CG1 3.77Å; F408-I425 HydrophobicContact CD2-CD1 4.47Å; F408-I425 HydrophobicContact CD2-CG1 4.15Å; F408-I425 HydrophobicContact CG-CG1 4.3Å; F408-I425 PolarHBondContact N-O 3.46Å; F408-I425 PolarHBondContact O-N 2.79Å; F408-I427 HydrophobicContact CD2-CD1 4.42Å; F408-I427 HydrophobicContact CD2-CG1 4.42Å; F408-I427 HydrophobicContact CE2-CB 4.34Å; F408-I427 HydrophobicContact CE2-CD1 3.95Å; F408-I427 HydrophobicContact CE2-CG1 4.12Å
409T97.2Very high88.1Confident0 Ų050.9 Ų50.90%026%0.259CS..EExtended strand (participates in β ladder)trans-121.4120.8173.9-52.40000109.5K362 F411 F421 G423 R424K362-T409 PolarHBondContact N-O 2.97Å; K362-T409 PolarHBondContact O-N 2.97Å; T409-F411 HydrophobicContact CG2-CD2 3.95Å; T409-F411 HydrophobicContact CG2-CE1 4.25Å; T409-F411 HydrophobicContact CG2-CE2 3.32Å; T409-F411 HydrophobicContact CG2-CZ 3.49Å; T409-F411 VanDerWaalsContact CG2-CZ 3.49Å; T409-F421 HydrophobicContact CG2-CD2 3.62Å; T409-F421 HydrophobicContact CG2-CE2 3.46Å; T409-F421 VanDerWaalsContact CG2-CE2 3.46Å; T409-G423 WeakPolarHBondContact CA-O 3.35Å; T409-R424 PolarHBondContact OG1-NE 2.83Å
410V95.4Very high87.8Confident0 Ų046 Ų460%024%0.238CC..EExtended strand (participates in β ladder)trans-88.8133175.3-169.10000108.7L325 L348 F360 V361 I422 G423 L457L325-V410 HydrophobicContact CD2-CG2 4.38Å; L348-V410 HydrophobicContact CD1-CG1 3.85Å; L348-V410 HydrophobicContact CD2-CG1 4.19Å; F360-V410 WeakPolarHBondContact O-CA 3.12Å; V361-V410 HydrophobicContact CG2-CG2 4.2Å; V410-I422 HydrophobicContact CB-CB 4.16Å; V410-I422 HydrophobicContact CB-CG2 4.31Å; V410-I422 HydrophobicContact CG1-CB 4.1Å; V410-I422 HydrophobicContact CG1-CD1 4.17Å; V410-I422 HydrophobicContact CG1-CG2 4.15Å; V410-I422 WeakPolarHBondContact O-CB 3.5Å; V410-I422 PolarHBondContact O-N 2.81Å; V410-G423 PolarHBondContact N-O 2.94Å; V410-G423 PolarHBondContact O-N 3.31Å; V410-L457 HydrophobicContact CB-CD1 4.1Å; V410-L457 HydrophobicContact CG2-CD1 3.68Å; V410-L457 HydrophobicContact CG2-CD2 3.84Å; V410-L457 HydrophobicContact CG2-CG 4.44Å
411F92.3Very high87.6Confident18 Ų1844.6 Ų44.68%0.07923%0.23CC..EExtended strand (participates in β ladder)trans-128.4143.9178.2-69.5-88.1000110.1P359 F360 K362 T409 N419 D420 F421P359-F411 CarbonylContact C-O 3.44Å; P359-F411 VanDerWaalsContact CA-O 3.27Å; P359-F411 WeakPolarHBondContact CA-O 3.43Å; F360-F411 HydrophobicContact CD1-CB 4.11Å; F360-F411 HydrophobicContact CE1-CB 3.53Å; F360-F411 HydrophobicContact CE1-CG 4.43Å; F360-F411 HydrophobicContact CE2-CB 4.18Å; F360-F411 HydrophobicContact CE2-CD2 4.03Å; F360-F411 HydrophobicContact CE2-CG 4.44Å; F360-F411 HydrophobicContact CZ-CB 3.56Å; F360-F411 HydrophobicContact CZ-CD2 4.02Å; F360-F411 AromaticContact CZ-CG 3.99Å; F360-F411 HydrophobicContact CZ-CG 3.99Å; F360-F411 PolarHBondContact N-O 2.81Å; F360-F411 PolarHBondContact O-N 3.35Å; K362-F411 HydrophobicContact CB-CD2 4.26Å; K362-F411 HydrophobicContact CB-CE2 4.04Å; K362-F411 HydrophobicContact CD-CE2 4.3Å; T409-F411 HydrophobicContact CG2-CD2 3.95Å; T409-F411 HydrophobicContact CG2-CE1 4.25Å; T409-F411 HydrophobicContact CG2-CE2 3.32Å; T409-F411 HydrophobicContact CG2-CZ 3.49Å; T409-F411 VanDerWaalsContact CG2-CZ 3.49Å; F411-N419 HydrophobicContact CB-CB 4.18Å; F411-N419 HydrophobicContact CD1-CB 4.19Å; F411-N419 HydrophobicContact CG-CB 4.47Å; F411-D420 CarbonylContact C-O 3.57Å; F411-D420 WeakPolarHBondContact CA-O 3.49Å; F411-D420 WeakPolarHBondContact CB-O 3.16Å; F411-D420 WeakPolarHBondContact CD1-O 3.43Å; F411-F421 HydrophobicContact CE1-CB 4.43Å; F411-F421 HydrophobicContact CE1-CD2 4.37Å
412G89.1Confident87.5Confident0 Ų044.3 Ų44.30%023%0.229CC..EExtended strand (participates in β ladder)trans-80121159.800000108.7N414 N419 D420G412-N414 PolarHBondContact O-N 2.85Å; G412-N419 CarbonylContact O-C 3.57Å; G412-N419 VanDerWaalsContact O-CA 3.32Å; G412-N419 WeakPolarHBondContact O-CA 3.47Å; G412-N419 WeakPolarHBondContact O-CB 3.41Å; G412-D420 PolarHBondContact N-O 2.85Å; G412-D420 PolarHBondContact O-N 3.18Å
413H82.2Confident87.5Confident57 Ų5738.3 Ų38.326%0.26420%0.201SC..EExtended strand (participates in β ladder)trans-69.9127.4172.7179.646.6000109.6D358 F360 F379 N419D358-H413 HydrophobicContact CB-CB 3.86Å; D358-H413 VanDerWaalsContact O-CB 3.31Å; D358-H413 WeakPolarHBondContact O-CB 3.45Å; D358-H413 PolarHBondContact O-N 2.95Å; F360-H413 HydrophobicContact CD1-CB 3.96Å; F360-H413 HydrophobicContact CE1-CB 4.02Å; F379-H413 HydrophobicContact CB-CB 4.39Å; F379-H413 AromaticContact CD2-CD2 4Å; F379-H413 AromaticContact CE2-CD2 3.91Å; H413-N419 WeakPolarHBondContact CA-OD1 3.37Å; H413-N419 PolarHBondContact ND1-OD1 3.4Å
414N73.8Confident87.6Confident29 Ų2935.8 Ų35.816%0.15519%0.187CC..  trans-113127.3170.3-160.3-52.3000108.8G412 K416 S417G412-N414 PolarHBondContact O-N 2.85Å; N414-K416 VanDerWaalsContact C-N 3.3Å; N414-K416 PolarHBondContact OD1-N 2.98Å; N414-S417 VanDerWaalsContact CB-OG 3.29Å; N414-S417 WeakPolarHBondContact CB-OG 3.2Å; N414-S417 PolarHBondContact ND2-OG 3.16Å; N414-S417 PolarHBondContact OD1-N 2.81Å; N414-S417 PolarHBondContact OD1-OG 3.24Å
415M67.8Low87.6Confident133 Ų13335.8 Ų35.866%0.65519%0.187SC*.SBendtrans-75.2-18.6178.9-75.5-16567.400113.5
416K68.4Low87.6Confident186 Ų18635.8 Ų35.881%0.80919%0.187SC*.SBendtrans-114.5-13-171.6-64.7177.2-177.4170.20113.9N414N414-K416 VanDerWaalsContact C-N 3.3Å; N414-K416 PolarHBondContact OD1-N 2.98Å
417S71.6Confident87.6Confident65 Ų6535.8 Ų35.846%0.45519%0.187SC..SBendtrans-138-172-179.167.20000111.4N414N414-S417 VanDerWaalsContact CB-OG 3.29Å; N414-S417 WeakPolarHBondContact CB-OG 3.2Å; N414-S417 PolarHBondContact ND2-OG 3.16Å; N414-S417 PolarHBondContact OD1-N 2.81Å; N414-S417 PolarHBondContact OD1-OG 3.24Å
418S80.4Confident87.5Confident96 Ų9636 Ų3667%0.67119%0.19SC*.SBendtrans-63.2144.416650.20000111.3D420S418-D420 PolarHBondContact O-N 3.35Å
419N85Confident87.3Confident64 Ų6441 Ų4134%0.34221%0.213SC..PPolyproline II helixtrans-60132174.6-47.2-77.6000111.3F360 F411 G412 H413F360-N419 HydrophobicContact CE1-CB 4.18Å; F360-N419 HydrophobicContact CZ-CB 4.34Å; F411-N419 HydrophobicContact CB-CB 4.18Å; F411-N419 HydrophobicContact CD1-CB 4.19Å; F411-N419 HydrophobicContact CG-CB 4.47Å; G412-N419 CarbonylContact O-C 3.57Å; G412-N419 VanDerWaalsContact O-CA 3.32Å; G412-N419 WeakPolarHBondContact O-CA 3.47Å; G412-N419 WeakPolarHBondContact O-CB 3.41Å; H413-N419 WeakPolarHBondContact CA-OD1 3.37Å; H413-N419 PolarHBondContact ND1-OD1 3.4Å
420D85.2Confident87.2Confident47 Ų4744.2 Ų44.225%0.25123%0.225SC..EExtended strand (participates in β ladder)trans-76.2137.4-178.6-56.9-51.7000110.5T351 F411 G412 S418T351-D420 VanDerWaalsContact CB-CB 3.45Å; T351-D420 HydrophobicContact CG2-CB 3.62Å; T351-D420 PolarHBondContact OG1-OD2 2.67Å; F411-D420 CarbonylContact C-O 3.57Å; F411-D420 WeakPolarHBondContact CA-O 3.49Å; F411-D420 WeakPolarHBondContact CB-O 3.16Å; F411-D420 WeakPolarHBondContact CD1-O 3.43Å; G412-D420 PolarHBondContact N-O 2.85Å; G412-D420 PolarHBondContact O-N 3.18Å; S418-D420 PolarHBondContact O-N 3.35Å
421F88.7Confident87Confident55 Ų5544.9 Ų44.924%0.24123%0.23CC..EExtended strand (participates in β ladder)trans-77.6123.7175.1175.5-85.2000109.9T409 F411 R424 R460T409-F421 HydrophobicContact CG2-CD2 3.62Å; T409-F421 HydrophobicContact CG2-CE2 3.46Å; T409-F421 VanDerWaalsContact CG2-CE2 3.46Å; F411-F421 HydrophobicContact CE1-CB 4.43Å; F411-F421 HydrophobicContact CE1-CD2 4.37Å; F421-R424 HydrophobicContact CE2-CB 3.97Å; F421-R424 HydrophobicContact CZ-CB 3.76Å; F421-R460 HydrophobicContact CE1-CB 4.01Å; F421-R460 HydrophobicContact CE2-CB 3.97Å; F421-R460 HydrophobicContact CZ-CB 3.66Å
422I88.5Confident86.9Confident1 Ų144.2 Ų44.21%0.00523%0.228CC..EExtended strand (participates in β ladder)trans-93.9-52.2174.7-69.6175.2000110.1L322 L348 L349 T351 P359 V410 L457L322-I422 WeakPolarHBondContact CB-O 3.38Å; L322-I422 WeakPolarHBondContact CD1-O 3.29Å; L322-I422 WeakPolarHBondContact O-CG2 3.38Å; L348-I422 HydrophobicContact CB-CG2 4.25Å; L348-I422 HydrophobicContact CD1-CD1 4.41Å; L348-I422 HydrophobicContact CD2-CG2 4.15Å; L349-I422 HydrophobicContact CB-CG2 4.27Å; T351-I422 HydrophobicContact CG2-CD1 4.27Å; T351-I422 HydrophobicContact CG2-CG1 3.56Å; P359-I422 HydrophobicContact CB-CD1 4.33Å; V410-I422 HydrophobicContact CB-CB 4.16Å; V410-I422 HydrophobicContact CB-CG2 4.31Å; V410-I422 HydrophobicContact CG1-CB 4.1Å; V410-I422 HydrophobicContact CG1-CD1 4.17Å; V410-I422 HydrophobicContact CG1-CG2 4.15Å; V410-I422 WeakPolarHBondContact O-CB 3.5Å; V410-I422 PolarHBondContact O-N 2.81Å; I422-L457 HydrophobicContact CG2-CD1 4.24Å
423G91.3Very high86.8Confident0 Ų044.9 Ų44.90%024%0.235CC..EExtended strand (participates in β ladder)trans179.8165.2-176.400000113.8T409 V410 R458T409-G423 WeakPolarHBondContact CA-O 3.35Å; V410-G423 PolarHBondContact N-O 2.94Å; V410-G423 PolarHBondContact O-N 3.31Å; G423-R458 WeakPolarHBondContact CA-O 3.43Å
424R94.8Very high86.8Confident1 Ų147.7 Ų47.70%0.00426%0.258CS..EExtended strand (participates in β ladder)trans-135.8151.9-176.6-176.8178.2-78.4175.9-12.6111.7V407 F408 T409 F421 R458 C463 D464 S470 V473 T474V407-R424 HydrophobicContact CG1-CG 3.73Å; F408-R424 VanDerWaalsContact O-CA 3.28Å; F408-R424 WeakPolarHBondContact O-CA 3.46Å; F408-R424 WeakPolarHBondContact O-CG 3.4Å; T409-R424 PolarHBondContact OG1-NE 2.83Å; F421-R424 HydrophobicContact CE2-CB 3.97Å; F421-R424 HydrophobicContact CZ-CB 3.76Å; R424-R458 PolarHBondContact N-O 2.85Å; R424-R458 PolarHBondContact O-N 2.78Å; R424-C463 HydrophobicContact CB-CB 4.35Å; R424-C463 HydrophobicContact CG-CB 4.14Å; R424-C463 PolarHBondContact O-SG 3.38Å; R424-D464 IonicContact NH1-OD1 2.61Å; R424-D464 PolarHBondContact NH1-OD1 2.93Å; R424-D464 IonicContact NH1-OD2 3.11Å; R424-S470 WeakPolarHBondContact CD-OG 3.49Å; R424-S470 PolarHBondContact NH1-O 3.25Å; R424-S470 PolarHBondContact NH1-OG 2.98Å; R424-V473 PolarHBondContact NH2-O 3Å; R424-T474 PolarHBondContact NH1-OG1 2.67Å
425I96.5Very high87.3Confident0 Ų048.7 Ų48.70%027%0.267CS..EExtended strand (participates in β ladder)trans-142.8156.2164.356.8179.7000109.5L325 L327 F408 I427 H455 S456 L457L325-I425 HydrophobicContact CD2-CD1 4.33Å; L327-I425 HydrophobicContact CD1-CD1 3.86Å; F408-I425 HydrophobicContact CB-CD1 4.38Å; F408-I425 HydrophobicContact CB-CG1 3.77Å; F408-I425 HydrophobicContact CD2-CD1 4.47Å; F408-I425 HydrophobicContact CD2-CG1 4.15Å; F408-I425 HydrophobicContact CG-CG1 4.3Å; F408-I425 PolarHBondContact N-O 3.46Å; F408-I425 PolarHBondContact O-N 2.79Å; I425-I427 HydrophobicContact CD1-CD1 4.47Å; I425-H455 HydrophobicContact CD1-CB 3.41Å; I425-H455 VanDerWaalsContact CD1-CB 3.41Å; I425-H455 HydrophobicContact CG2-CB 4.38Å; I425-S456 WeakPolarHBondContact CG2-O 3.32Å; I425-L457 HydrophobicContact CG2-CD2 4.19Å
426V97.7Very high88.5Confident0 Ų042.6 Ų42.60%024%0.237CC..EExtended strand (participates in β ladder)trans-127.5130.5175.2-171.10000109.5L406 V407 Y430 S431 S432 E436 A469L406-V426 WeakPolarHBondContact O-CA 3.28Å; V407-V426 HydrophobicContact CB-CG2 4.37Å; V407-V426 HydrophobicContact CG1-CG2 3.99Å; V407-V426 HydrophobicContact CG2-CG1 4.02Å; V407-V426 HydrophobicContact CG2-CG2 3.96Å; V426-Y430 VanDerWaalsContact CG1-O 3.22Å; V426-Y430 WeakPolarHBondContact CG1-O 3.4Å; V426-S431 CarbonylContact O-C 3.48Å; V426-S431 VanDerWaalsContact O-CA 3.26Å; V426-S431 WeakPolarHBondContact O-CA 3.39Å; V426-S432 PolarHBondContact N-OG 2.69Å; V426-S432 PolarHBondContact O-N 3.4Å; V426-S432 PolarHBondContact O-OG 3.47Å; V426-E436 VanDerWaalsContact O-CB 3.29Å; V426-E436 WeakPolarHBondContact O-CB 3.42Å; V426-A469 HydrophobicContact CG1-CB 4.22Å
427I97.4Very high89.6Confident0 Ų035.7 Ų35.70%021%0.213CC..EExtended strand (participates in β ladder)trans-125.7123.5178.7-50.4-178.7000109L327 L329 L406 F408 I425 E436 W440L327-I427 HydrophobicContact CD1-CD1 3.68Å; L329-I427 HydrophobicContact CD1-CD1 4.34Å; L329-I427 HydrophobicContact CD1-CG2 3.85Å; L406-I427 PolarHBondContact N-O 3.1Å; L406-I427 PolarHBondContact O-N 3.13Å; F408-I427 HydrophobicContact CD2-CD1 4.42Å; F408-I427 HydrophobicContact CD2-CG1 4.42Å; F408-I427 HydrophobicContact CE2-CB 4.34Å; F408-I427 HydrophobicContact CE2-CD1 3.95Å; F408-I427 HydrophobicContact CE2-CG1 4.12Å; I425-I427 HydrophobicContact CD1-CD1 4.47Å; I427-E436 HydrophobicContact CG1-CB 4.02Å; I427-E436 HydrophobicContact CG1-CG 4.11Å; I427-W440 HydrophobicContact CG2-CB 3.94Å; I427-W440 HydrophobicContact CG2-CE3 4.02Å
428G95.5Very high90.6Very high5 Ų535.9 Ų35.95%0.05221%0.208CC..EExtended strand (participates in β ladder)trans143.8-151-177.100000113.1Y430 S431G428-Y430 VanDerWaalsContact C-N 3.3Å; G428-Y430 PolarHBondContact O-N 2.77Å; G428-S431 PolarHBondContact N-OG 2.94Å; G428-S431 WeakPolarHBondContact O-CB 3.26Å; G428-S431 PolarHBondContact O-N 2.87Å; G428-S431 PolarHBondContact O-OG 2.73Å
429Q94.3Very high91.3Very high105 Ų10531.3 Ų31.349%0.49118%0.176SC..THydrogen-bonded Turntrans-55.1-44.2177.5-17756.21.700113.1E402 A404 S405E402-Q429 VanDerWaalsContact O-CB 3.29Å; E402-Q429 WeakPolarHBondContact O-CB 3.46Å; E402-Q429 WeakPolarHBondContact O-CG 3.47Å; E402-Q429 PolarHBondContact O-OE1 2.85Å; A404-Q429 PolarHBondContact O-N 3.05Å; S405-Q429 PolarHBondContact OG-N 3.12Å
430Y94.4Very high91.8Very high66 Ų6629 Ų2926%0.25916%0.163SC..THydrogen-bonded Turntrans-102.848.1178.3-55.5-73.8000110.8L369 S405 V426 G428 S467 P468 A469L369-Y430 HydrophobicContact CD2-CD2 3.81Å; L369-Y430 HydrophobicContact CD2-CE1 4.33Å; L369-Y430 HydrophobicContact CD2-CE2 3.44Å; L369-Y430 VanDerWaalsContact CD2-CE2 3.44Å; L369-Y430 HydrophobicContact CD2-CG 4.39Å; L369-Y430 HydrophobicContact CG-CE2 4.1Å; S405-Y430 PolarHBondContact OG-N 2.86Å; V426-Y430 VanDerWaalsContact CG1-O 3.22Å; V426-Y430 WeakPolarHBondContact CG1-O 3.4Å; G428-Y430 VanDerWaalsContact C-N 3.3Å; G428-Y430 PolarHBondContact O-N 2.77Å; Y430-S467 VanDerWaalsContact O-CB 3.29Å; Y430-S467 WeakPolarHBondContact O-CB 3.42Å; Y430-S467 PolarHBondContact O-OG 3.01Å; Y430-P468 HydrophobicContact CD1-CB 4.34Å; Y430-P468 HydrophobicContact CD1-CG 4.06Å; Y430-P468 HydrophobicContact CE1-CG 4.43Å; Y430-A469 HydrophobicContact CD2-CB 4.07Å; Y430-A469 HydrophobicContact CG-CB 4.33Å
431S93Very high92.2Very high14 Ų1432.7 Ų32.710%0.09817%0.173CC..  trans-56.5142-179.1-75.80000112.7V426 G428 G433 S437V426-S431 CarbonylContact O-C 3.48Å; V426-S431 VanDerWaalsContact O-CA 3.26Å; V426-S431 WeakPolarHBondContact O-CA 3.39Å; G428-S431 PolarHBondContact N-OG 2.94Å; G428-S431 WeakPolarHBondContact O-CB 3.26Å; G428-S431 PolarHBondContact O-N 2.87Å; G428-S431 PolarHBondContact O-OG 2.73Å; S431-G433 PolarHBondContact O-N 2.78Å; S431-S437 WeakPolarHBondContact CB-OG 3.49Å; S431-S437 PolarHBondContact OG-N 3.36Å
432S88.5Confident92.4Very high5 Ų535 Ų354%0.03518%0.181CC..SBendtrans-67.4-18.4-179.439.90000113.7V426 E436 R458 V466V426-S432 PolarHBondContact N-OG 2.69Å; V426-S432 PolarHBondContact O-N 3.4Å; V426-S432 PolarHBondContact O-OG 3.47Å; S432-E436 VanDerWaalsContact OG-CD 3.3Å; S432-E436 PolarHBondContact OG-OE1 2.94Å; S432-R458 VanDerWaalsContact C-NH2 3.3Å; S432-R458 PolarHBondContact O-NH1 2.94Å; S432-R458 PolarHBondContact O-NH2 3.35Å; S432-R458 VanDerWaalsContact O-NH2 3.12Å; S432-V466 WeakPolarHBondContact O-CG2 3.47Å
433G87.5Confident92.7Very high14 Ų1435.2 Ų35.214%0.14418%0.181CC..SBendtrans179.2-164.717000000115S431 S435 E436 S437S431-G433 PolarHBondContact O-N 2.78Å; G433-S435 VanDerWaalsContact C-N 3.34Å; G433-S435 PolarHBondContact O-N 3.21Å; G433-E436 WeakPolarHBondContact CA-OE2 3.49Å; G433-E436 PolarHBondContact N-OE2 2.62Å; G433-E436 PolarHBondContact O-N 2.78Å; G433-S437 PolarHBondContact O-N 3.22Å; G433-S437 PolarHBondContact O-OG 3.1Å; G433-S437 VanDerWaalsContact O-OG 3.11Å
434P82Confident92.7Very high116 Ų11638.5 Ų38.575%0.75320%0.198SC*.Hα-helixtrans-64.7-32.1-168.5-24.735.1000114.8N438P434-N438 WeakPolarHBondContact O-CB 3.24Å; P434-N438 PolarHBondContact O-N 2.87Å
435S85Confident92.5Very high50 Ų5044 Ų4435%0.3523%0.228SC..Hα-helixtrans-66.6-48.4178-1770000110.3G433 N438 H439 Q453G433-S435 VanDerWaalsContact C-N 3.34Å; G433-S435 PolarHBondContact O-N 3.21Å; S435-N438 WeakPolarHBondContact O-CB 3.41Å; S435-N438 PolarHBondContact O-N 3.42Å; S435-H439 PolarHBondContact O-N 3.49Å; S435-Q453 PolarHBondContact O-NE2 2.95Å; S435-Q453 PolarHBondContact OG-NE2 2.73Å
436E92.6Very high92Very high4 Ų446.3 Ų46.32%0.01924%0.242CC..Hα-helixtrans-64-48179.7-59.595.1137.800111.1V426 I427 S432 G433 N438 H439 W440 R458V426-E436 VanDerWaalsContact O-CB 3.29Å; V426-E436 WeakPolarHBondContact O-CB 3.42Å; I427-E436 HydrophobicContact CG1-CB 4.02Å; I427-E436 HydrophobicContact CG1-CG 4.11Å; S432-E436 VanDerWaalsContact OG-CD 3.3Å; S432-E436 PolarHBondContact OG-OE1 2.94Å; G433-E436 WeakPolarHBondContact CA-OE2 3.49Å; G433-E436 PolarHBondContact N-OE2 2.62Å; G433-E436 PolarHBondContact O-N 2.78Å; E436-N438 VanDerWaalsContact C-N 3.26Å; E436-N438 PolarHBondContact O-N 3.33Å; E436-H439 PolarHBondContact O-N 2.75Å; E436-H439 VanDerWaalsContact O-N 3.15Å; E436-W440 PolarHBondContact O-N 3.17Å; E436-R458 VanDerWaalsContact CD-NH2 3.3Å; E436-R458 IonicContact OE1-CZ 2.67Å; E436-R458 IonicContact OE1-NE 3.39Å; E436-R458 PolarHBondContact OE1-NE 3.13Å; E436-R458 IonicContact OE1-NH2 3.43Å; E436-R458 PolarHBondContact OE1-NH2 3.02Å; E436-R458 IonicContact OE2-NH2 3.38Å; E436-R458 PolarHBondContact OE2-NH2 3.02Å; E436-R458 VanDerWaalsContact OE2-NH2 3.12Å
437S92.4Very high90.9Very high42 Ų4253.3 Ų53.329%0.29427%0.274SS..Hα-helixtrans-60.1-35173.7-60.70000112.5S431 G433 R441S431-S437 WeakPolarHBondContact CB-OG 3.49Å; S431-S437 PolarHBondContact OG-N 3.36Å; G433-S437 PolarHBondContact O-N 3.22Å; G433-S437 PolarHBondContact O-OG 3.1Å; G433-S437 VanDerWaalsContact O-OG 3.11Å; S437-R441 WeakPolarHBondContact O-CB 3.32Å; S437-R441 PolarHBondContact O-N 3.5Å; S437-R441 VanDerWaalsContact O-N 3.13Å
438N92.6Very high89.8Confident68 Ų6862.4 Ų62.436%0.36431%0.309SS..Hα-helixtrans-69.8-42.7175.7-172.2-76.4000111.5P434 S435 E436 R441 R442P434-N438 WeakPolarHBondContact O-CB 3.24Å; P434-N438 PolarHBondContact O-N 2.87Å; S435-N438 WeakPolarHBondContact O-CB 3.41Å; S435-N438 PolarHBondContact O-N 3.42Å; E436-N438 VanDerWaalsContact C-N 3.26Å; E436-N438 PolarHBondContact O-N 3.33Å; N438-R441 PolarHBondContact O-N 3.36Å; N438-R442 WeakPolarHBondContact O-CB 3.3Å; N438-R442 VanDerWaalsContact O-CG 3.32Å; N438-R442 WeakPolarHBondContact O-CG 3.4Å; N438-R442 PolarHBondContact O-N 2.91Å; N438-R442 WeakPolarHBondContact OD1-CD 3.31Å
439H94Very high89.3Confident0 Ų066.1 Ų66.10%033%0.331CS..Hα-helixtrans-61.4-45.9177.6-168.1-163.6000111.8L327 L329 S435 E436 R442 M443 V451 E452 Q453 H455L327-H439 WeakPolarHBondContact CB-CE1 3.28Å; L327-H439 PolarHBondContact O-CE1 2.67Å; L329-H439 VanDerWaalsContact CG-CE1 3.42Å; L329-H439 WeakPolarHBondContact CG-CE1 3.48Å; S435-H439 PolarHBondContact O-N 3.49Å; E436-H439 PolarHBondContact O-N 2.75Å; E436-H439 VanDerWaalsContact O-N 3.15Å; H439-R442 PolarHBondContact O-N 2.77Å; H439-M443 PolarHBondContact O-N 2.86Å; H439-V451 WeakPolarHBondContact NE2-CB 3.22Å; H439-V451 WeakPolarHBondContact NE2-CG1 3.35Å; H439-V451 CovalentContact NE2-O 1.79Å; H439-V451 PolarHBondContact NE2-O 3.36Å; H439-E452 PolarHBondContact NE2-N 2.79Å; H439-Q453 HydrophobicContact CB-CB 4.39Å; H439-H455 AromaticContact CE1-NE2 3.86Å; H439-H455 AromaticContact CG-CE1 3.95Å; H439-H455 AromaticContact CG-NE2 3.66Å; H439-H455 AromaticContact ND1-CD2 3.99Å; H439-H455 AromaticContact ND1-CE1 3.54Å; H439-H455 AromaticContact ND1-NE2 2.86Å; H439-H455 PolarHBondContact ND1-NE2 3.06Å
440W95.5Very high89.1Confident15 Ų1563.6 Ų63.66%0.05733%0.328CS..Hα-helixtrans-59.3-48.7175.2-169.1-112.9000111.8L329 L338 L401 A404 L406 I427 E436 R442 M443 L444L329-W440 HydrophobicContact CD1-CE3 4.41Å; L338-W440 HydrophobicContact CD1-CH2 4.4Å; L338-W440 HydrophobicContact CD1-CZ3 4.19Å; L338-W440 HydrophobicContact CD2-CH2 3.7Å; L338-W440 HydrophobicContact CD2-CZ3 3.94Å; L401-W440 HydrophobicContact CD1-CH2 3.79Å; L401-W440 HydrophobicContact CD1-CZ2 3.7Å; L401-W440 HydrophobicContact CG-CZ2 4.09Å; A404-W440 HydrophobicContact CB-CZ2 4.44Å; L406-W440 HydrophobicContact CD1-CZ3 4.34Å; I427-W440 HydrophobicContact CG2-CB 3.94Å; I427-W440 HydrophobicContact CG2-CE3 4.02Å; E436-W440 PolarHBondContact O-N 3.17Å; W440-R442 VanDerWaalsContact C-N 3.35Å; W440-R442 PolarHBondContact O-N 2.96Å; W440-M443 HydrophobicContact CD2-CE 3.77Å; W440-M443 HydrophobicContact CE3-CE 3.52Å; W440-M443 HydrophobicContact CE3-SD 4.07Å; W440-M443 HydrophobicContact CH2-CE 3.87Å; W440-M443 HydrophobicContact CZ2-CE 4.07Å; W440-M443 HydrophobicContact CZ3-CE 3.59Å; W440-M443 HydrophobicContact CZ3-SD 4Å; W440-M443 WeakPolarHBondContact O-CB 3.46Å; W440-M443 PolarHBondContact O-N 3.12Å; W440-M443 VanDerWaalsContact O-N 3.16Å; W440-L444 WeakPolarHBondContact O-CG 3.25Å; W440-L444 PolarHBondContact O-N 3Å
441R94.1Very high89.1Confident125 Ų12560.8 Ų60.847%0.47232%0.317SS..Hα-helixtrans-61.5-41.1177.5-166.6-171.2-53104.54.9112.4S437 N438 L444 N445S437-R441 WeakPolarHBondContact O-CB 3.32Å; S437-R441 PolarHBondContact O-N 3.5Å; S437-R441 VanDerWaalsContact O-N 3.13Å; N438-R441 PolarHBondContact O-N 3.36Å; R441-L444 PolarHBondContact O-N 2.92Å; R441-N445 WeakPolarHBondContact O-CB 3.14Å; R441-N445 VanDerWaalsContact O-CG 3.26Å; R441-N445 PolarHBondContact O-N 3.05Å; R441-N445 PolarHBondContact O-OD1 3.43Å
442R93.6Very high89.2Confident105 Ų10565.7 Ų65.740%0.39634%0.339SS..Hα-helixtrans-61.5-44.5174.4-74.5172.565.9-145.22.8110.6N438 H439 W440 L444 N445 T446 V451N438-R442 WeakPolarHBondContact O-CB 3.3Å; N438-R442 VanDerWaalsContact O-CG 3.32Å; N438-R442 WeakPolarHBondContact O-CG 3.4Å; N438-R442 PolarHBondContact O-N 2.91Å; N438-R442 WeakPolarHBondContact OD1-CD 3.31Å; H439-R442 PolarHBondContact O-N 2.77Å; W440-R442 VanDerWaalsContact C-N 3.35Å; W440-R442 PolarHBondContact O-N 2.96Å; R442-L444 PolarHBondContact O-N 3.43Å; R442-N445 PolarHBondContact O-N 2.99Å; R442-T446 VanDerWaalsContact O-CB 3.26Å; R442-T446 WeakPolarHBondContact O-CB 3.23Å; R442-T446 PolarHBondContact O-N 2.95Å; R442-T446 PolarHBondContact O-OG1 2.96Å; R442-V451 HydrophobicContact CB-CG1 3.96Å; R442-V451 HydrophobicContact CB-CG2 4.45Å; R442-V451 VanDerWaalsContact CZ-CG1 3.41Å
443M94.7Very high89.3Confident4 Ų466.9 Ų66.92%0.0234%0.344CS..Hα-helixtrans-60.2-44.3175.7178.4-150.968.200111.9L329 L338 H439 W440 T446L329-M443 HydrophobicContact CB-CB 4.17Å; L329-M443 HydrophobicContact CB-CG 3.91Å; L329-M443 HydrophobicContact CB-SD 3.78Å; L329-M443 HydrophobicContact CD1-SD 4.49Å; L338-M443 HydrophobicContact CD1-CE 4.14Å; L338-M443 HydrophobicContact CD1-SD 3.38Å; L338-M443 WeakPolarHBondContact CD1-SD 3.3Å; H439-M443 PolarHBondContact O-N 2.86Å; W440-M443 HydrophobicContact CD2-CE 3.77Å; W440-M443 HydrophobicContact CE3-CE 3.52Å; W440-M443 HydrophobicContact CE3-SD 4.07Å; W440-M443 HydrophobicContact CH2-CE 3.87Å; W440-M443 HydrophobicContact CZ2-CE 4.07Å; W440-M443 HydrophobicContact CZ3-CE 3.59Å; W440-M443 HydrophobicContact CZ3-SD 4Å; W440-M443 WeakPolarHBondContact O-CB 3.46Å; W440-M443 PolarHBondContact O-N 3.12Å; W440-M443 VanDerWaalsContact O-N 3.16Å; M443-T446 PolarHBondContact O-N 3.03Å
444L91.6Very high89.5Confident69 Ų6969.9 Ų69.936%0.36135%0.351SS..Hα-helixtrans-63.7-43.3178.6-67.7175.1000112.8L401 W440 R441 R442 T446L401-L444 HydrophobicContact CD2-CD2 3.33Å; L401-L444 HydrophobicContact CG-CD2 4Å; W440-L444 WeakPolarHBondContact O-CG 3.25Å; W440-L444 PolarHBondContact O-N 3Å; R441-L444 PolarHBondContact O-N 2.92Å; R442-L444 PolarHBondContact O-N 3.43Å; L444-T446 VanDerWaalsContact C-N 3.29Å; L444-T446 PolarHBondContact O-N 3.14Å
445N90.4Very high89.9Confident118 Ų11864.4 Ų64.463%0.63132%0.315SS*.Hα-helixtrans-76.1-13.9-179.1-67.53.1000113.4R441 R442R441-N445 WeakPolarHBondContact O-CB 3.14Å; R441-N445 VanDerWaalsContact O-CG 3.26Å; R441-N445 PolarHBondContact O-N 3.05Å; R441-N445 PolarHBondContact O-OD1 3.43Å; R442-N445 PolarHBondContact O-N 2.99Å
446T84.8Confident90.1Very high48 Ų4865.4 Ų65.429%0.29432%0.322SS..SBendtrans-106.2108-175.3-45.70000110.6R442 M443 L444 R448 T449R442-T446 VanDerWaalsContact O-CB 3.26Å; R442-T446 WeakPolarHBondContact O-CB 3.23Å; R442-T446 PolarHBondContact O-N 2.95Å; R442-T446 PolarHBondContact O-OG1 2.96Å; M443-T446 PolarHBondContact O-N 3.03Å; L444-T446 VanDerWaalsContact C-N 3.29Å; L444-T446 PolarHBondContact O-N 3.14Å; T446-R448 PolarHBondContact O-N 3.11Å; T446-T449 WeakPolarHBondContact CG2-OG1 3.31Å
447H74.4Confident90Very high146 Ų14665.8 Ų65.868%0.67632%0.324SS*.  trans-78.4122.3-178-57.7-37.2000112.2T449H447-T449 PolarHBondContact O-N 3.35Å; H447-T449 VanDerWaalsContact O-N 3.11Å
448R75Confident89.7Confident191 Ų19166.9 Ų66.972%0.72132%0.322SS*.SBendtrans69.4-10.8169.4-53.5177.9177-179.8-1.1117.7N330 T446N330-R448 PolarHBondContact ND2-O 3.41Å; T446-R448 PolarHBondContact O-N 3.11Å
449T85.3Confident89.4Confident84 Ų8465.3 Ų65.352%0.51532%0.316SS..SBendtrans-98.4137.7172.665.10000111.1T446 H447T446-T449 WeakPolarHBondContact CG2-OG1 3.31Å; H447-T449 PolarHBondContact O-N 3.35Å; H447-T449 VanDerWaalsContact O-N 3.11Å
450A90.6Very high89Confident51 Ų5168.5 Ų68.542%0.42133%0.328SS..  trans-63.7143172.800000111.7S328 N330S328-A450 WeakPolarHBondContact OG-CB 3.46Å; N330-A450 HydrophobicContact CB-CB 4.16Å
451V94.1Very high88.4Confident7 Ų771.3 Ų71.34%0.04236%0.355CS..EExtended strand (participates in β ladder)trans-109.9119173.3-176.30000108.2S328 L329 H439 R442S328-V451 WeakPolarHBondContact CA-O 3.47Å; L329-V451 PolarHBondContact N-O 3.21Å; L329-V451 PolarHBondContact O-N 2.95Å; H439-V451 WeakPolarHBondContact NE2-CB 3.22Å; H439-V451 WeakPolarHBondContact NE2-CG1 3.35Å; H439-V451 CovalentContact NE2-O 1.79Å; H439-V451 PolarHBondContact NE2-O 3.36Å; R442-V451 HydrophobicContact CB-CG1 3.96Å; R442-V451 HydrophobicContact CB-CG2 4.45Å; R442-V451 VanDerWaalsContact CZ-CG1 3.41Å
452E93.7Very high87.8Confident117 Ų11767.3 Ų67.355%0.54734%0.342SS..EExtended strand (participates in β ladder)trans-94.2140.8174.1-71.6178.9-161.900111.8L326 L327 I343 H439L326-E452 HydrophobicContact CD1-CB 4.49Å; L327-E452 WeakPolarHBondContact O-CA 3.17Å; I343-E452 HydrophobicContact CD1-CG 3.91Å; H439-E452 PolarHBondContact NE2-N 2.79Å
453Q91.9Very high87.5Confident31 Ų3162.3 Ų62.315%0.14532%0.323CS..EExtended strand (participates in β ladder)trans-157.4142.6173.8-162.2167.7-49.800112L327 S435 H439 H455L327-Q453 PolarHBondContact N-O 2.83Å; L327-Q453 VanDerWaalsContact N-O 3.07Å; L327-Q453 PolarHBondContact O-N 2.89Å; S435-Q453 PolarHBondContact O-NE2 2.95Å; S435-Q453 PolarHBondContact OG-NE2 2.73Å; H439-Q453 HydrophobicContact CB-CB 4.39Å; Q453-H455 PolarHBondContact O-CD2 3.01Å
454W91.6Very high87.3Confident76 Ų7663.5 Ų63.529%0.28833%0.329SS..EExtended strand (participates in β ladder)trans-81.5142.3168.5-75.2102.2000111E324 L326 R344 K346E324-W454 HydrophobicContact CB-CE3 3.76Å; E324-W454 HydrophobicContact CB-CZ3 4.14Å; L326-W454 HydrophobicContact CB-CD2 3.83Å; L326-W454 HydrophobicContact CB-CE3 3.7Å; L326-W454 HydrophobicContact CB-CH2 3.86Å; L326-W454 HydrophobicContact CB-CZ2 3.99Å; L326-W454 HydrophobicContact CB-CZ3 3.7Å; L326-W454 HydrophobicContact CD1-CD2 4.12Å; L326-W454 HydrophobicContact CD1-CG 4.11Å; L326-W454 HydrophobicContact CD2-CZ2 4.03Å; L326-W454 HydrophobicContact CG-CD2 4.44Å; L326-W454 HydrophobicContact CG-CZ2 4.49Å; R344-W454 HydrophobicContact CG-CH2 3.82Å; R344-W454 HydrophobicContact CG-CZ2 4.4Å; K346-W454 HydrophobicContact CB-CH2 4.08Å; K346-W454 HydrophobicContact CB-CZ3 4.23Å; K346-W454 HydrophobicContact CD-CE3 4.45Å; K346-W454 HydrophobicContact CD-CH2 3.53Å; K346-W454 HydrophobicContact CD-CZ2 3.99Å; K346-W454 HydrophobicContact CD-CZ3 3.81Å; K346-W454 HydrophobicContact CG-CE3 4.45Å; K346-W454 HydrophobicContact CG-CH2 3.74Å; K346-W454 HydrophobicContact CG-CZ3 3.63Å
455H90.6Very high87Confident2 Ų269.1 Ų69.11%0.00935%0.346CS..EExtended strand (participates in β ladder)trans-133.7125.6176.2-62-77.9000110.6E324 L325 I425 H439 Q453E324-H455 CarbonylContact C-O 3.53Å; E324-H455 WeakPolarHBondContact CA-O 3.39Å; L325-H455 PolarHBondContact N-O 2.73Å; L325-H455 PolarHBondContact O-N 3.08Å; I425-H455 HydrophobicContact CD1-CB 3.41Å; I425-H455 VanDerWaalsContact CD1-CB 3.41Å; I425-H455 HydrophobicContact CG2-CB 4.38Å; H439-H455 AromaticContact CE1-NE2 3.86Å; H439-H455 AromaticContact CG-CE1 3.95Å; H439-H455 AromaticContact CG-NE2 3.66Å; H439-H455 AromaticContact ND1-CD2 3.99Å; H439-H455 AromaticContact ND1-CE1 3.54Å; H439-H455 AromaticContact ND1-NE2 2.86Å; H439-H455 PolarHBondContact ND1-NE2 3.06Å; Q453-H455 PolarHBondContact O-CD2 3.01Å
456S87.7Confident86.9Confident71 Ų7166.7 Ų66.750%0.49734%0.335SS..EExtended strand (participates in β ladder)trans-75.1128.1175.7-35.60000109.8E324 I425E324-S456 PolarHBondContact OE1-OG 3Å; I425-S456 WeakPolarHBondContact CG2-O 3.32Å
457L90.7Very high87.3Confident12 Ų1264.4 Ų64.46%0.06332%0.321CS..  trans-71.5145.3-178.5-64.5178.4000111.2L322 G323 L325 L348 V410 I422 I425L322-L457 HydrophobicContact CB-CB 3.78Å; G323-L457 WeakPolarHBondContact O-CB 3.35Å; G323-L457 PolarHBondContact O-N 2.88Å; L325-L457 HydrophobicContact CB-CD2 4.2Å; L348-L457 HydrophobicContact CD2-CD1 3.56Å; V410-L457 HydrophobicContact CB-CD1 4.1Å; V410-L457 HydrophobicContact CG2-CD1 3.68Å; V410-L457 HydrophobicContact CG2-CD2 3.84Å; V410-L457 HydrophobicContact CG2-CG 4.44Å; I422-L457 HydrophobicContact CG2-CD1 4.24Å; I425-L457 HydrophobicContact CG2-CD2 4.19Å
458R87.4Confident88.1Confident64 Ų6460.1 Ų60.124%0.24231%0.306CS..BIsolated β-bridgetrans-122.2160.7-179.2-47.9-174.5-166.2-1688.9112.1L322 G423 R424 S432 E436 E462L322-R458 WeakPolarHBondContact CD1-O 3.37Å; G423-R458 WeakPolarHBondContact CA-O 3.43Å; R424-R458 PolarHBondContact N-O 2.85Å; R424-R458 PolarHBondContact O-N 2.78Å; S432-R458 VanDerWaalsContact C-NH2 3.3Å; S432-R458 PolarHBondContact O-NH1 2.94Å; S432-R458 PolarHBondContact O-NH2 3.35Å; S432-R458 VanDerWaalsContact O-NH2 3.12Å; E436-R458 VanDerWaalsContact CD-NH2 3.3Å; E436-R458 IonicContact OE1-CZ 2.67Å; E436-R458 IonicContact OE1-NE 3.39Å; E436-R458 PolarHBondContact OE1-NE 3.13Å; E436-R458 IonicContact OE1-NH2 3.43Å; E436-R458 PolarHBondContact OE1-NH2 3.02Å; E436-R458 IonicContact OE2-NH2 3.38Å; E436-R458 PolarHBondContact OE2-NH2 3.02Å; E436-R458 VanDerWaalsContact OE2-NH2 3.12Å; R458-E462 HydrophobicContact CB-CB 4.39Å
459S85.7Confident89Confident35 Ų3551 Ų5125%0.24527%0.272CS..  trans-66160178.269.80000110.5A461 E462 C463S459-A461 VanDerWaalsContact C-N 3.34Å; S459-A461 PolarHBondContact O-N 3.3Å; S459-E462 VanDerWaalsContact CB-OE2 3.27Å; S459-E462 WeakPolarHBondContact CB-OE2 3.27Å; S459-E462 PolarHBondContact N-OE2 3.03Å; S459-E462 PolarHBondContact O-N 3.48Å; S459-E462 WeakPolarHBondContact OG-CB 3.23Å; S459-E462 VanDerWaalsContact OG-CD 3.26Å; S459-E462 WeakPolarHBondContact OG-CG 3.4Å; S459-E462 PolarHBondContact OG-N 3.23Å; S459-E462 PolarHBondContact OG-OE2 2.86Å; S459-C463 PolarHBondContact O-N 2.86Å; S459-C463 VanDerWaalsContact O-N 3.09Å
460R85.9Confident89.4Confident68 Ų6847 Ų4726%0.25725%0.247SC..Hα-helixtrans-57.7-49.3176.6-178.2176.5-64.1-117.312.1111.1F421 E462 C463 D464 T474F421-R460 HydrophobicContact CE1-CB 4.01Å; F421-R460 HydrophobicContact CE2-CB 3.97Å; F421-R460 HydrophobicContact CZ-CB 3.66Å; R460-E462 VanDerWaalsContact C-N 3.35Å; R460-E462 PolarHBondContact O-N 3.06Å; R460-C463 PolarHBondContact O-N 2.94Å; R460-D464 VanDerWaalsContact CG-OD2 3.3Å; R460-D464 WeakPolarHBondContact CG-OD2 3.39Å; R460-D464 VanDerWaalsContact O-CB 3.29Å; R460-D464 WeakPolarHBondContact O-CB 3.18Å; R460-D464 PolarHBondContact O-N 3.25Å; R460-T474 PolarHBondContact NH1-OG1 2.67Å
461A82.9Confident89.4Confident74 Ų7449.1 Ų49.161%0.61225%0.251SS*.Hα-helixtrans-61-40.6-178.500000112.5S459 R465S459-A461 VanDerWaalsContact C-N 3.34Å; S459-A461 PolarHBondContact O-N 3.3Å; A461-R465 VanDerWaalsContact O-CB 3.27Å; A461-R465 WeakPolarHBondContact O-CB 3.3Å; A461-R465 PolarHBondContact O-N 3.11Å
462E82.1Confident89.4Confident41 Ų4152.8 Ų52.819%0.19227%0.267CS..Hα-helixtrans-65.1-44.3175.7-72.2167.8119.400112.6R458 S459 R460 V466R458-E462 HydrophobicContact CB-CB 4.39Å; S459-E462 VanDerWaalsContact CB-OE2 3.27Å; S459-E462 WeakPolarHBondContact CB-OE2 3.27Å; S459-E462 PolarHBondContact N-OE2 3.03Å; S459-E462 PolarHBondContact O-N 3.48Å; S459-E462 WeakPolarHBondContact OG-CB 3.23Å; S459-E462 VanDerWaalsContact OG-CD 3.26Å; S459-E462 WeakPolarHBondContact OG-CG 3.4Å; S459-E462 PolarHBondContact OG-N 3.23Å; S459-E462 PolarHBondContact OG-OE2 2.86Å; R460-E462 VanDerWaalsContact C-N 3.35Å; R460-E462 PolarHBondContact O-N 3.06Å; E462-V466 WeakPolarHBondContact O-CG2 3.46Å; E462-V466 PolarHBondContact O-N 3.5Å
463C87Confident89Confident0 Ų047.7 Ų47.70%024%0.244CC..Hα-helixtrans-63.6-45.9175.8-84.10000112R424 S459 R460 R465 V466 S467 S470R424-C463 HydrophobicContact CB-CB 4.35Å; R424-C463 HydrophobicContact CG-CB 4.14Å; R424-C463 PolarHBondContact O-SG 3.38Å; S459-C463 PolarHBondContact O-N 2.86Å; S459-C463 VanDerWaalsContact O-N 3.09Å; R460-C463 PolarHBondContact O-N 2.94Å; C463-R465 VanDerWaalsContact C-N 3.28Å; C463-R465 PolarHBondContact O-N 3.49Å; C463-V466 PolarHBondContact O-N 3.39Å; C463-S467 WeakPolarHBondContact O-CB 3.47Å; C463-S467 PolarHBondContact O-N 3.34Å; C463-S470 WeakPolarHBondContact CB-OG 3.24Å
464D90.2Very high88.1Confident29 Ų2952 Ų5216%0.15527%0.272CS..Hα-helixtrans-64.2-33.3-179-70.22.1000111.4R424 R460 S470 L471 T474R424-D464 IonicContact NH1-OD1 2.61Å; R424-D464 PolarHBondContact NH1-OD1 2.93Å; R424-D464 IonicContact NH1-OD2 3.11Å; R460-D464 VanDerWaalsContact CG-OD2 3.3Å; R460-D464 WeakPolarHBondContact CG-OD2 3.39Å; R460-D464 VanDerWaalsContact O-CB 3.29Å; R460-D464 WeakPolarHBondContact O-CB 3.18Å; R460-D464 PolarHBondContact O-N 3.25Å; D464-S470 VanDerWaalsContact OD1-CB 3.23Å; D464-S470 WeakPolarHBondContact OD1-CB 3.08Å; D464-S470 PolarHBondContact OD1-OG 2.95Å; D464-L471 HydrophobicContact CB-CD2 3.71Å; D464-L471 HydrophobicContact CB-CG 4.41Å; D464-T474 PolarHBondContact OD2-OG1 3.42Å
465R85.8Confident87.9Confident187 Ų18750.8 Ų50.871%0.70627%0.272SS*.Hα-helixtrans-68.9-31.6174.2-177.7177.664.2176.5-4.7114.1A461 C463A461-R465 VanDerWaalsContact O-CB 3.27Å; A461-R465 WeakPolarHBondContact O-CB 3.3Å; A461-R465 PolarHBondContact O-N 3.11Å; C463-R465 VanDerWaalsContact C-N 3.28Å; C463-R465 PolarHBondContact O-N 3.49Å
466V87.9Confident87.8Confident66 Ų6653.3 Ų53.340%0.429%0.285SS..Hα-helixtrans-108-15.2-172.8-54.50000114.4S432 E462 C463S432-V466 WeakPolarHBondContact O-CG2 3.47Å; E462-V466 WeakPolarHBondContact O-CG2 3.46Å; E462-V466 PolarHBondContact O-N 3.5Å; C463-V466 PolarHBondContact O-N 3.39Å
467S91.8Very high87.8Confident0 Ų052.3 Ų52.30%027%0.274CS..  trans-133.7109-175.7178.10000111.3Y430 C463 A469 S470Y430-S467 VanDerWaalsContact O-CB 3.29Å; Y430-S467 WeakPolarHBondContact O-CB 3.42Å; Y430-S467 PolarHBondContact O-OG 3.01Å; C463-S467 WeakPolarHBondContact O-CB 3.47Å; C463-S467 PolarHBondContact O-N 3.34Å; S467-A469 PolarHBondContact O-N 3.28Å; S467-S470 WeakPolarHBondContact O-CB 3.48Å; S467-S470 PolarHBondContact O-N 2.6Å
468P92.4Very high87.6Confident57 Ų5754.7 Ų54.737%0.3729%0.286SS..Hα-helixtrans-55.5-33.7171.7-29.737.4000113.6L369 Y430 S470 L471L369-P468 HydrophobicContact CD1-CB 4.33Å; L369-P468 HydrophobicContact CD2-CB 3.65Å; Y430-P468 HydrophobicContact CD1-CB 4.34Å; Y430-P468 HydrophobicContact CD1-CG 4.06Å; Y430-P468 HydrophobicContact CE1-CG 4.43Å; P468-S470 PolarHBondContact O-N 3.26Å; P468-L471 WeakPolarHBondContact O-CB 3.43Å; P468-L471 PolarHBondContact O-N 3.11Å; P468-L471 VanDerWaalsContact O-N 3.14Å
469A93.1Very high87.7Confident0 Ų054.1 Ų54.10%029%0.289CS..Hα-helixtrans-65.4-20.617600000113.5V366 V407 V426 Y430 S467V366-A469 HydrophobicContact CB-CB 4.14Å; V366-A469 HydrophobicContact CG1-CB 3.98Å; V366-A469 HydrophobicContact CG2-CB 4.4Å; V407-A469 HydrophobicContact CG2-CB 4.34Å; V407-A469 WeakPolarHBondContact CG2-O 3.33Å; V426-A469 HydrophobicContact CG1-CB 4.22Å; Y430-A469 HydrophobicContact CD2-CB 4.07Å; Y430-A469 HydrophobicContact CG-CB 4.33Å; S467-A469 PolarHBondContact O-N 3.28Å
470S93.6Very high87.8Confident0 Ų055.4 Ų55.40%029%0.292CS..Hα-helixtrans-72.1-31.3174.7-167.80000112.6R424 C463 D464 S467 P468 V473 T474R424-S470 WeakPolarHBondContact CD-OG 3.49Å; R424-S470 PolarHBondContact NH1-O 3.25Å; R424-S470 PolarHBondContact NH1-OG 2.98Å; C463-S470 WeakPolarHBondContact CB-OG 3.24Å; D464-S470 VanDerWaalsContact OD1-CB 3.23Å; D464-S470 WeakPolarHBondContact OD1-CB 3.08Å; D464-S470 PolarHBondContact OD1-OG 2.95Å; S467-S470 WeakPolarHBondContact O-CB 3.48Å; S467-S470 PolarHBondContact O-N 2.6Å; P468-S470 PolarHBondContact O-N 3.26Å; S470-V473 WeakPolarHBondContact O-CG2 3.37Å; S470-T474 PolarHBondContact O-OG1 2.93Å
471L92.2Very high87.9Confident95 Ų9554.5 Ų54.550%0.49729%0.294SS..Hα-helixtrans-69.1-38.9176.1-64.1168.8000111.6D464 P468 V473 T474D464-L471 HydrophobicContact CB-CD2 3.71Å; D464-L471 HydrophobicContact CB-CG 4.41Å; P468-L471 WeakPolarHBondContact O-CB 3.43Å; P468-L471 PolarHBondContact O-N 3.11Å; P468-L471 VanDerWaalsContact O-N 3.14Å; L471-V473 PolarHBondContact O-N 2.99Å; L471-T474 PolarHBondContact O-N 2.58Å
472E92.3Very high88.3Confident83 Ų8353 Ų5339%0.38827%0.27SS..THydrogen-bonded Turntrans-65.7-0.3179.5-61.4-56.5142.500115V366 L369V366-E472 HydrophobicContact CG1-CB 4.13Å; V366-E472 HydrophobicContact CG1-CG 4.29Å; V366-E472 HydrophobicContact CG2-CB 4.3Å; L369-E472 HydrophobicContact CB-CG 4.18Å
473V86.3Confident88.8Confident10 Ų1054 Ų546%0.06128%0.277CS..THydrogen-bonded Turntrans-132.14.2-177.1-60.50000114.1Q364 V366 L371 V407 R424 S470 L471Q364-V473 HydrophobicContact CB-CB 4.48Å; Q364-V473 HydrophobicContact CB-CG1 3.74Å; Q364-V473 HydrophobicContact CG-CG1 4.34Å; V366-V473 HydrophobicContact CG2-CG1 3.56Å; L371-V473 HydrophobicContact CD1-CG1 4.14Å; V407-V473 HydrophobicContact CB-CG1 4.4Å; V407-V473 HydrophobicContact CB-CG2 3.95Å; V407-V473 HydrophobicContact CG1-CG2 3.64Å; V407-V473 HydrophobicContact CG2-CG1 4.16Å; V407-V473 HydrophobicContact CG2-CG2 3.93Å; R424-V473 PolarHBondContact NH2-O 3Å; S470-V473 WeakPolarHBondContact O-CG2 3.37Å; L471-V473 PolarHBondContact O-N 2.99Å
474T73.3Confident89Confident121 Ų12158.9 Ų58.974%0.74230%0.302SS*.  trans-80.80174.4-79.50000110.6R424 R460 D464 S470 L471R424-T474 PolarHBondContact NH1-OG1 2.67Å; R460-T474 PolarHBondContact NH1-OG1 2.67Å; D464-T474 PolarHBondContact OD2-OG1 3.42Å; S470-T474 PolarHBondContact O-OG1 2.93Å; L471-T474 PolarHBondContact O-N 2.58Å

Retrieved 474 of 474 residues in 1839.5 ms (Link to these results)