A0A2K5MTU4_CERAT Loading...

TGF-beta family profile domain-containing protein

AlphaFold DB , UniProt , Accession A0A2K5MTU4, Species CERAT (Cercocebus atys, Sooty mangabey), Gene n/a, Length 402 aa.

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(Predicted Aligned Error values between residue pairs)
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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M34.1Very low32.1Very low241 Ų241152.5 Ų152.5100%1.18787%0.87SS**  081.10-62.3173.4-169.900105.7
2A25.7Very low31.8Very low106 Ų106146.9 Ų146.988%0.87687%0.871SS**  51.6121.696.100000111.6
3A26.5Very low32Very low95 Ų95148.4 Ų148.479%0.78587%0.871SS**  cis-164.8154.8-8.100000105.7
4L35.4Very low32.1Very low170 Ų170144.3 Ų144.389%0.8986%0.863SS**  trans-57.6155.2162.9-85.4142000110.6
5P33.3Very low32Very low125 Ų125146.2 Ų146.281%0.81287%0.865SS**  -141.4153.8108.334.3-19000114.8
6G29.6Very low31.8Very low63 Ų63146.2 Ų146.265%0.64987%0.873SS**  trans-90.8-145.117300000114.1
7P44.5Very low31.8Very low126 Ų126142.1 Ų142.182%0.81886%0.859SS**  trans-99.5143.6-13637.2-31.1000113.5
8L30.6Very low31.6Very low162 Ų162144.3 Ų144.385%0.84886%0.864SS**  trans-15476.7168.8-97.3142.6000109.4
9W29.8Very low31.3Very low264 Ų264140.9 Ų140.9100%186%0.862SS**  trans-108.274.4162.1-94.175.4000108.3
10L32Very low31.1Very low151 Ų151138.3 Ų138.379%0.79187%0.865SS**  trans-152.9136.3162.5-90.3169.7000106.9
11L31.4Very low31Very low174 Ų174136 Ų13691%0.91187%0.867SS**  trans96.783.5174-60.6144000116.4
12G28.9Very low30.6Very low86 Ų86127.7 Ų127.789%0.88784%0.843SS**  trans-137.741.5161.500000111.4
13L34.6Very low31Very low166 Ų166129.3 Ų129.387%0.86985%0.845SS**  trans-112133.3165.5-94.1162.5000107.3
14A33.5Very low31.3Very low91 Ų91128 Ų12875%0.75284%0.84SS**  trans84.389.8178.200000116
15L30.1Very low31.3Very low173 Ų173128.2 Ų128.291%0.90684%0.842SS**  trans-172.276.6142.6-97.1143.6000109.2
16C28.7Very low31.2Very low146 Ų146133.7 Ų133.799%0.98685%0.846SS**  trans-135.747.6161.8-1020000109.2
17A31.4Very low31.4Very low76 Ų76135.9 Ų135.963%0.62885%0.849SS**  trans-122.1128.8164.600000107.1
18L29.3Very low30.9Very low182 Ų182135.4 Ų135.495%0.95385%0.846SS**  trans91.9104168.1-49169.1000116.8
19G25.8Very low31.5Very low81 Ų81134.4 Ų134.484%0.83585%0.849SS**  trans135.3101.2133.900000119.1
20G26.9Very low32.2Very low88 Ų88125 Ų12591%0.90783%0.834SS**  trans83.8128.6147.200000117
21G28Very low32Very low89 Ų89123.5 Ų123.592%0.91884%0.835SS**  cis12588.919.600000109.5
22G27.5Very low32.3Very low67 Ų67121 Ų12169%0.69183%0.829SS**  trans-153.6139.8172.600000111G24G22-G24 PolarHBondContact O-N 3.03Å
23P33.7Very low33.1Very low141 Ų141125.1 Ų125.192%0.91683%0.825SS**  trans-84.886.2-16534.2-32.1000111
24G32.4Very low34.3Very low66 Ų66125.3 Ų125.368%0.6881%0.814SS**  trans-80.7127.1164.500000110.3G22 R26G22-G24 PolarHBondContact O-N 3.03Å; G24-R26 PolarHBondContact O-N 3.22Å
25L34.6Very low35.6Very low175 Ų175130.9 Ų130.992%0.91682%0.816SS**  trans-41119.4175.3-77.6131.3000112.2
26R32.2Very low37.5Very low241 Ų241126 Ų12691%0.90979%0.79SS**PPolyproline II helixtrans-61129.5172.2-86.1177.1168.8171.5-3.4109.5G24G24-R26 PolarHBondContact O-N 3.22Å
27P34.1Very low39.9Very low108 Ų108120.8 Ų120.870%0.70176%0.762SS**PPolyproline II helixtrans-65.6152.6165.628.7-31.1000109.5
28P33.6Very low42.1Very low117 Ų117120.7 Ų120.776%0.7676%0.76SS**PPolyproline II helixtrans-62.1149.2-176.226-33.7000111.6G30P28-G30 PolarHBondContact O-N 3.1Å; P28-G30 VanDerWaalsContact O-N 3.1Å
29P43.9Very low44.5Very low140 Ų140121.7 Ų121.791%0.90975%0.752SS**  trans-77.9100.2179.831.8-29.5000108.6
30G43.7Very low47Very low67 Ų67120.4 Ų120.469%0.69172%0.724SS**  trans-148.8116.7-177.300000112.1P28P28-G30 PolarHBondContact O-N 3.1Å; P28-G30 VanDerWaalsContact O-N 3.1Å
31C28.2Very low49.3Very low119 Ų119123.2 Ų123.280%0.80471%0.707SS**  trans73116.7-179-97.50000116.6Q33C31-Q33 PolarHBondContact O-N 2.8Å
32P37.3Very low51.7Low122 Ų122127.5 Ų127.579%0.79270%0.696SS**  trans-60.6113.6160.225.4-29.2000106.9R34P32-R34 PolarHBondContact O-N 3.4Å
33Q46.3Very low54.3Low172 Ų172127.5 Ų127.580%0.80468%0.68SS**  trans-59.597.2165.6-85.5-174.9-18.400106.6C31 R35C31-Q33 PolarHBondContact O-N 2.8Å; Q33-R35 VanDerWaalsContact C-N 3.25Å; Q33-R35 PolarHBondContact O-N 3Å
34R58.6Low56.4Low170 Ų170124 Ų12464%0.64266%0.655SS**  trans-62.894.7171.6-175.8-179.2-173.7-117.1-5.8106.2P32 L36 E40P32-R34 PolarHBondContact O-N 3.4Å; R34-L36 PolarHBondContact O-N 2.93Å; R34-E40 IonicContact CZ-OE1 3.81Å; R34-E40 IonicContact CZ-OE2 2.64Å; R34-E40 IonicContact NH1-OE1 3.77Å; R34-E40 PolarHBondContact NH1-OE1 2.76Å; R34-E40 IonicContact NH1-OE2 3.83Å; R34-E40 IonicContact NH2-OE1 3.66Å; R34-E40 PolarHBondContact NH2-OE1 2.8Å; R34-E40 IonicContact NH2-OE2 2.93Å
35R61.5Low58.5Low209 Ų209123.9 Ų123.979%0.78964%0.637SS**  trans-62.3112.8172.9-71.3-174.6-159.2-120.80.8106.6Q33 G37Q33-R35 VanDerWaalsContact C-N 3.25Å; Q33-R35 PolarHBondContact O-N 3Å; R35-G37 PolarHBondContact O-N 2.98Å
36L70.8Confident60.7Low70 Ų70122.7 Ų122.737%0.36662%0.62SS.*  trans-53.5126.9175.2-70.6161.4000108.6R34 E40 R41 V44R34-L36 PolarHBondContact O-N 2.93Å; L36-E40 HydrophobicContact CB-CB 4.2Å; L36-E40 HydrophobicContact CD2-CB 3.78Å; L36-R41 HydrophobicContact CB-CG 3.64Å; L36-R41 PolarHBondContact O-NE 3.1Å; L36-V44 HydrophobicContact CD1-CG2 4.46Å
37G78.6Confident62.9Low37 Ų37117.2 Ų117.238%0.38161%0.605SS.*  trans-63161.3172.700000110.7R35 R39 E40 R41R35-G37 PolarHBondContact O-N 2.98Å; G37-R39 PolarHBondContact O-N 3.49Å; G37-R39 VanDerWaalsContact O-N 3.13Å; G37-E40 PolarHBondContact N-OE2 3.28Å; G37-E40 VanDerWaalsContact N-OE2 3.1Å; G37-E40 PolarHBondContact O-N 2.92Å; G37-R41 PolarHBondContact O-N 2.65Å
38A76.6Confident65Low73 Ų73114.7 Ų114.760%0.60359%0.585SS**Hα-helixtrans-56.6-34.1-176.500000113.5R42A38-R42 WeakPolarHBondContact O-CG 3.39Å; A38-R42 PolarHBondContact O-N 3.11Å
39R79.4Confident67.2Low204 Ų204109.6 Ų109.677%0.7755%0.552SS**Hα-helixtrans-68.8-46.2175.4-171.9174.7178.6173.31.4111.9G37 R41 R42 D43G37-R39 PolarHBondContact O-N 3.49Å; G37-R39 VanDerWaalsContact O-N 3.13Å; R39-R41 VanDerWaalsContact C-N 3.32Å; R39-R41 PolarHBondContact O-N 2.89Å; R39-R42 WeakPolarHBondContact O-CB 3.14Å; R39-R42 PolarHBondContact O-N 3.25Å; R39-R42 VanDerWaalsContact O-N 3.13Å; R39-D43 PolarHBondContact O-N 2.88Å
40E78.5Confident68.8Low53 Ų53106.5 Ų106.525%0.24853%0.533CS..Hα-helixtrans-63.3-38178.7-62.4-178.2129.400111.9R34 L36 G37 R42 D43 V44R34-E40 IonicContact CZ-OE1 3.81Å; R34-E40 IonicContact CZ-OE2 2.64Å; R34-E40 IonicContact NH1-OE1 3.77Å; R34-E40 PolarHBondContact NH1-OE1 2.76Å; R34-E40 IonicContact NH1-OE2 3.83Å; R34-E40 IonicContact NH2-OE1 3.66Å; R34-E40 PolarHBondContact NH2-OE1 2.8Å; R34-E40 IonicContact NH2-OE2 2.93Å; L36-E40 HydrophobicContact CB-CB 4.2Å; L36-E40 HydrophobicContact CD2-CB 3.78Å; G37-E40 PolarHBondContact N-OE2 3.28Å; G37-E40 VanDerWaalsContact N-OE2 3.1Å; G37-E40 PolarHBondContact O-N 2.92Å; E40-R42 VanDerWaalsContact C-N 3.31Å; E40-R42 PolarHBondContact O-N 3.02Å; E40-D43 PolarHBondContact O-N 3.24Å; E40-V44 VanDerWaalsContact O-CG2 3.32Å; E40-V44 WeakPolarHBondContact O-CG2 3.07Å; E40-V44 PolarHBondContact O-N 3.1Å
41R76.6Confident70.4Confident148 Ų148107.5 Ų107.556%0.55853%0.526SS*.Hα-helixtrans-60.5-40.6174.2-66.9-176.6-166.3-165.7-0.9112.3L36 G37 R39 Q45L36-R41 HydrophobicContact CB-CG 3.64Å; L36-R41 PolarHBondContact O-NE 3.1Å; G37-R41 PolarHBondContact O-N 2.65Å; R39-R41 VanDerWaalsContact C-N 3.32Å; R39-R41 PolarHBondContact O-N 2.89Å; R41-Q45 WeakPolarHBondContact O-CB 3.35Å; R41-Q45 PolarHBondContact O-N 2.99Å
42R78.1Confident72.5Confident179 Ų179102.2 Ų102.268%0.67549%0.49SS*.Hα-helixtrans-66.2-39.1176.9-69.4175.1-166.2-107.64.4111.7A38 R39 E40 Q45 R46A38-R42 WeakPolarHBondContact O-CG 3.39Å; A38-R42 PolarHBondContact O-N 3.11Å; R39-R42 WeakPolarHBondContact O-CB 3.14Å; R39-R42 PolarHBondContact O-N 3.25Å; R39-R42 VanDerWaalsContact O-N 3.13Å; E40-R42 VanDerWaalsContact C-N 3.31Å; E40-R42 PolarHBondContact O-N 3.02Å; R42-Q45 PolarHBondContact O-N 3.4Å; R42-R46 PolarHBondContact O-N 3.39Å
43D80.9Confident74Confident67 Ų6798.5 Ų98.536%0.35847%0.473SS..Hα-helixtrans-69.6-43.4179.2-65.5-28.5000111.2R39 E40 Q45 R46 E47R39-D43 PolarHBondContact O-N 2.88Å; E40-D43 PolarHBondContact O-N 3.24Å; D43-Q45 VanDerWaalsContact C-N 3.35Å; D43-Q45 PolarHBondContact O-N 2.9Å; D43-R46 WeakPolarHBondContact O-CB 3.43Å; D43-R46 PolarHBondContact O-N 3.32Å; D43-R46 IonicContact OD1-CZ 3.85Å; D43-R46 IonicContact OD1-NH1 3.13Å; D43-R46 PolarHBondContact OD1-NH1 3.42Å; D43-E47 PolarHBondContact O-N 2.74Å
44V77.8Confident75.3Confident67 Ų6791.1 Ų91.141%0.40644%0.439SS..Hα-helixtrans-58.3-47.1171.8171.40000110.7L36 E40 R46 E47 I48L36-V44 HydrophobicContact CD1-CG2 4.46Å; E40-V44 VanDerWaalsContact O-CG2 3.32Å; E40-V44 WeakPolarHBondContact O-CG2 3.07Å; E40-V44 PolarHBondContact O-N 3.1Å; V44-R46 VanDerWaalsContact C-N 3.28Å; V44-R46 PolarHBondContact O-N 3.07Å; V44-E47 PolarHBondContact O-N 3.17Å; V44-E47 VanDerWaalsContact O-N 3.13Å; V44-I48 HydrophobicContact CG1-CD1 4.03Å; V44-I48 HydrophobicContact CG1-CG1 4.42Å; V44-I48 WeakPolarHBondContact O-CG1 3.42Å; V44-I48 PolarHBondContact O-N 3.13Å
45Q77.1Confident75.7Confident64 Ų6489.9 Ų89.930%0.29945%0.453SS..Hα-helixtrans-60.8-38.1178.6-172.6178.8-7.100112.3R41 R42 D43 E47 I48 L49R41-Q45 WeakPolarHBondContact O-CB 3.35Å; R41-Q45 PolarHBondContact O-N 2.99Å; R42-Q45 PolarHBondContact O-N 3.4Å; D43-Q45 VanDerWaalsContact C-N 3.35Å; D43-Q45 PolarHBondContact O-N 2.9Å; Q45-E47 VanDerWaalsContact C-N 3.34Å; Q45-I48 PolarHBondContact O-N 2.81Å; Q45-L49 HydrophobicContact CG-CD1 4.33Å; Q45-L49 WeakPolarHBondContact O-CD1 3.26Å; Q45-L49 VanDerWaalsContact O-CG 3.27Å; Q45-L49 WeakPolarHBondContact O-CG 3.46Å; Q45-L49 PolarHBondContact O-N 3.04Å; Q45-L49 VanDerWaalsContact O-N 3.1Å
46R80.3Confident76.5Confident149 Ų14981.6 Ų81.656%0.56243%0.433SS*.Hα-helixtrans-64.4-39.3175.8-169.1-175.4-65.9112.5-1.4111.7R42 D43 V44 L49 S50R42-R46 PolarHBondContact O-N 3.39Å; D43-R46 WeakPolarHBondContact O-CB 3.43Å; D43-R46 PolarHBondContact O-N 3.32Å; D43-R46 IonicContact OD1-CZ 3.85Å; D43-R46 IonicContact OD1-NH1 3.13Å; D43-R46 PolarHBondContact OD1-NH1 3.42Å; V44-R46 VanDerWaalsContact C-N 3.28Å; V44-R46 PolarHBondContact O-N 3.07Å; R46-L49 PolarHBondContact O-N 2.8Å; R46-S50 WeakPolarHBondContact O-CB 3.16Å; R46-S50 PolarHBondContact O-N 3.25Å
47E78.6Confident77Confident126 Ų12682.3 Ų82.359%0.58943%0.431SS*.Hα-helixtrans-67.3-41.7176.6-71.7-61.4163.300112.3D43 V44 Q45 L49 S50 V51D43-E47 PolarHBondContact O-N 2.74Å; V44-E47 PolarHBondContact O-N 3.17Å; V44-E47 VanDerWaalsContact O-N 3.13Å; Q45-E47 VanDerWaalsContact C-N 3.34Å; E47-L49 VanDerWaalsContact C-N 3.3Å; E47-L49 PolarHBondContact O-N 2.85Å; E47-S50 WeakPolarHBondContact O-CB 3.26Å; E47-S50 PolarHBondContact O-N 3.05Å; E47-S50 VanDerWaalsContact O-N 3.15Å; E47-V51 WeakPolarHBondContact O-CG2 3.13Å; E47-V51 PolarHBondContact O-N 3.35Å
48I78.5Confident77.1Confident56 Ų5680.9 Ų80.929%0.28742%0.415SS..Hα-helixtrans-63-40.7176.8-53.7168000110.2V44 Q45 S50 V51 L52 L313 W315V44-I48 HydrophobicContact CG1-CD1 4.03Å; V44-I48 HydrophobicContact CG1-CG1 4.42Å; V44-I48 WeakPolarHBondContact O-CG1 3.42Å; V44-I48 PolarHBondContact O-N 3.13Å; Q45-I48 PolarHBondContact O-N 2.81Å; I48-S50 VanDerWaalsContact C-N 3.34Å; I48-S50 PolarHBondContact O-N 3.03Å; I48-V51 PolarHBondContact O-N 2.87Å; I48-L52 WeakPolarHBondContact O-CG 3.47Å; I48-L52 PolarHBondContact O-N 3.15Å; I48-L52 VanDerWaalsContact O-N 3.08Å; I48-L313 HydrophobicContact CD1-CD2 4.11Å; I48-W315 HydrophobicContact CB-CH2 3.95Å; I48-W315 HydrophobicContact CB-CZ2 4.32Å; I48-W315 HydrophobicContact CG2-CH2 3.35Å; I48-W315 HydrophobicContact CG2-CZ2 4.14Å; I48-W315 HydrophobicContact CG2-CZ3 4.08Å
49L80.1Confident77.1Confident10 Ų1087.2 Ų87.25%0.05242%0.423CS..Hα-helixtrans-63.1-39.9174.8-69.3166.4000112.1Q45 R46 E47 L52 G53 L54 R57 W315 W318Q45-L49 HydrophobicContact CG-CD1 4.33Å; Q45-L49 WeakPolarHBondContact O-CD1 3.26Å; Q45-L49 VanDerWaalsContact O-CG 3.27Å; Q45-L49 WeakPolarHBondContact O-CG 3.46Å; Q45-L49 PolarHBondContact O-N 3.04Å; Q45-L49 VanDerWaalsContact O-N 3.1Å; R46-L49 PolarHBondContact O-N 2.8Å; E47-L49 VanDerWaalsContact C-N 3.3Å; E47-L49 PolarHBondContact O-N 2.85Å; L49-L52 CarbonylContact O-C 3.54Å; L49-L52 VanDerWaalsContact O-C 3.31Å; L49-L52 WeakPolarHBondContact O-CA 3.4Å; L49-L52 PolarHBondContact O-N 3.06Å; L49-L52 VanDerWaalsContact O-N 3.12Å; L49-G53 PolarHBondContact O-N 3.13Å; L49-G53 VanDerWaalsContact O-N 3.1Å; L49-L54 CarbonylContact C-O 3.58Å; L49-L54 HydrophobicContact CB-CB 4.33Å; L49-L54 HydrophobicContact CD2-CB 4.24Å; L49-L54 HydrophobicContact CD2-CD1 3.97Å; L49-L54 PolarHBondContact O-N 3.5Å; L49-R57 HydrophobicContact CD1-CB 4.05Å; L49-W315 HydrophobicContact CD2-CH2 4.08Å; L49-W315 HydrophobicContact CD2-CZ2 3.82Å; L49-W315 HydrophobicContact CG-CH2 4.43Å; L49-W315 HydrophobicContact CG-CZ2 4.03Å; L49-W318 HydrophobicContact CD2-CZ2 4.31Å
50S77.4Confident76.6Confident74 Ų7478.4 Ų78.452%0.51739%0.392SS..Hα-helixtrans-61.3-42175.1-179.60000112.2R46 E47 I48 L52 G53R46-S50 WeakPolarHBondContact O-CB 3.16Å; R46-S50 PolarHBondContact O-N 3.25Å; E47-S50 WeakPolarHBondContact O-CB 3.26Å; E47-S50 PolarHBondContact O-N 3.05Å; E47-S50 VanDerWaalsContact O-N 3.15Å; I48-S50 VanDerWaalsContact C-N 3.34Å; I48-S50 PolarHBondContact O-N 3.03Å; S50-L52 VanDerWaalsContact C-N 3.26Å; S50-L52 PolarHBondContact O-N 3.04Å; S50-G53 WeakPolarHBondContact O-CA 3.48Å; S50-G53 PolarHBondContact O-N 3.44Å
51V76.5Confident76Confident88 Ų8886.8 Ų86.853%0.53342%0.422SS..Hα-helixtrans-61.9-36.5173.7172.50000111.2E47 I48 G53 M394E47-V51 WeakPolarHBondContact O-CG2 3.13Å; E47-V51 PolarHBondContact O-N 3.35Å; I48-V51 PolarHBondContact O-N 2.87Å; V51-G53 PolarHBondContact O-N 3.31Å; V51-M394 HydrophobicContact CG1-CE 3.95Å; V51-M394 HydrophobicContact CG1-SD 3.56Å; V51-M394 VanDerWaalsContact CG1-SD 3.56Å
52L72.6Confident75.4Confident9 Ų982.2 Ų82.25%0.04742%0.415CS..THydrogen-bonded Turntrans-78.87.5171.7-62.4-179.9000113.6I48 L49 S50 L54 W315 R389 H391 M394I48-L52 WeakPolarHBondContact O-CG 3.47Å; I48-L52 PolarHBondContact O-N 3.15Å; I48-L52 VanDerWaalsContact O-N 3.08Å; L49-L52 CarbonylContact O-C 3.54Å; L49-L52 VanDerWaalsContact O-C 3.31Å; L49-L52 WeakPolarHBondContact O-CA 3.4Å; L49-L52 PolarHBondContact O-N 3.06Å; L49-L52 VanDerWaalsContact O-N 3.12Å; S50-L52 VanDerWaalsContact C-N 3.26Å; S50-L52 PolarHBondContact O-N 3.04Å; L52-L54 HydrophobicContact CB-CD1 4.23Å; L52-L54 HydrophobicContact CB-CG 4.27Å; L52-L54 PolarHBondContact O-N 3.15Å; L52-L54 VanDerWaalsContact O-N 3.16Å; L52-W315 HydrophobicContact CD1-CE3 4.38Å; L52-W315 HydrophobicContact CD1-CH2 3.74Å; L52-W315 HydrophobicContact CD1-CZ3 3.35Å; L52-R389 PolarHBondContact O-NH1 3.31Å; L52-H391 PolarHBondContact O-CE1 2.89Å; L52-M394 HydrophobicContact CD2-CE 4.09Å
53G69.9Low74.7Confident44 Ų4476.3 Ų76.345%0.45441%0.405SS..THydrogen-bonded Turntrans53.529.6-176.600000114.2L49 S50 V51 R389L49-G53 PolarHBondContact O-N 3.13Å; L49-G53 VanDerWaalsContact O-N 3.1Å; S50-G53 WeakPolarHBondContact O-CA 3.48Å; S50-G53 PolarHBondContact O-N 3.44Å; V51-G53 PolarHBondContact O-N 3.31Å; G53-R389 VanDerWaalsContact CA-NH1 3.27Å
54L72.6Confident73.8Confident17 Ų1776.7 Ų76.79%0.08941%0.411CS..  trans-96.5122.7173.8-66.1174.4000108.7L49 L52 G56 P58 W318 Y379L49-L54 CarbonylContact C-O 3.58Å; L49-L54 HydrophobicContact CB-CB 4.33Å; L49-L54 HydrophobicContact CD2-CB 4.24Å; L49-L54 HydrophobicContact CD2-CD1 3.97Å; L49-L54 PolarHBondContact O-N 3.5Å; L52-L54 HydrophobicContact CB-CD1 4.23Å; L52-L54 HydrophobicContact CB-CG 4.27Å; L52-L54 PolarHBondContact O-N 3.15Å; L52-L54 VanDerWaalsContact O-N 3.16Å; L54-G56 PolarHBondContact O-N 3.26Å; L54-G56 VanDerWaalsContact O-N 3.16Å; L54-P58 HydrophobicContact CD1-CG 4.47Å; L54-W318 HydrophobicContact CD1-CH2 3.42Å; L54-W318 VanDerWaalsContact CD1-CH2 3.42Å; L54-W318 HydrophobicContact CD1-CZ2 4.33Å; L54-W318 HydrophobicContact CD1-CZ3 3.59Å; L54-Y379 HydrophobicContact CD2-CE2 3.71Å; L54-Y379 WeakPolarHBondContact CD2-OH 3.41Å
55P68.3Low73Confident143 Ų14374.2 Ų74.293%0.92940%0.398SS*.SBendtrans-65.4-18178.226.4-33.9000112.7
56G77.4Confident72.2Confident35 Ų3576.1 Ų76.136%0.36142%0.424SS..SBendtrans-171.1172.3174.100000110.8L54 P58L54-G56 PolarHBondContact O-N 3.26Å; L54-G56 VanDerWaalsContact O-N 3.16Å; G56-P58 VanDerWaalsContact O-CD 3.3Å; G56-P58 WeakPolarHBondContact O-CD 3.22Å
57R81Confident71.2Confident85 Ų8572.5 Ų72.532%0.32142%0.422SS..  trans-64.7120.3175.5173.9171171.6165.7-4.4109L49 R59 G314 D317L49-R57 HydrophobicContact CD1-CB 4.05Å; R57-R59 PolarHBondContact O-N 3.4Å; R57-G314 PolarHBondContact NH1-O 3.15Å; R57-G314 PolarHBondContact NH2-O 3.24Å; R57-D317 IonicContact CZ-OD1 2.65Å; R57-D317 IonicContact CZ-OD2 3.56Å; R57-D317 IonicContact NE-OD1 3.01Å; R57-D317 IonicContact NE-OD2 3.77Å; R57-D317 PolarHBondContact NE-OD2 3.35Å; R57-D317 IonicContact NH2-OD1 3.55Å; R57-D317 PolarHBondContact NH2-OD1 3.27Å; R57-D317 IonicContact NH2-OD2 2.73Å; R57-D317 PolarHBondContact NH2-OD2 2.9Å
58P80.6Confident70.8Confident7 Ų768.7 Ų68.75%0.04540%0.402CS..  trans-56.6139172.3-23.735000110.1L54 G56 P60 W318 Y380L54-P58 HydrophobicContact CD1-CG 4.47Å; G56-P58 VanDerWaalsContact O-CD 3.3Å; G56-P58 WeakPolarHBondContact O-CD 3.22Å; P58-P60 WeakPolarHBondContact O-CD 3.42Å; P58-W318 HydrophobicContact CB-CB 4.32Å; P58-W318 HydrophobicContact CB-CD2 4.38Å; P58-W318 HydrophobicContact CB-CE3 4.34Å; P58-W318 HydrophobicContact CB-CG 4.34Å; P58-W318 HydrophobicContact CG-CD2 4.03Å; P58-W318 HydrophobicContact CG-CE3 3.7Å; P58-W318 HydrophobicContact CG-CG 4.5Å; P58-W318 HydrophobicContact CG-CZ3 4.19Å; P58-Y380 WeakPolarHBondContact CB-O 3.28Å
59R77.6Confident70.3Confident206 Ų20672.1 Ų72.178%0.77742%0.42SS*.  trans-121.781.5171.8-67.9-172-177.4-171.60.5108R57 R61R57-R59 PolarHBondContact O-N 3.4Å; R59-R61 PolarHBondContact O-N 3.42Å
60P68.6Low70.1Confident20 Ų2075.5 Ų75.513%0.1344%0.443CS..  trans-54.6132.9178.5-23.133.9000109.6P58 A62 W318 N384P58-P60 WeakPolarHBondContact O-CD 3.42Å; P60-A62 PolarHBondContact O-N 3.12Å; P60-W318 HydrophobicContact CG-CB 3.77Å; P60-N384 WeakPolarHBondContact CB-OD1 3.06Å
61R64.8Low70.5Confident229 Ų22972.9 Ų72.986%0.86443%0.426SS*.SBendtrans-66.6-22.2-176.6-68.6-178.6175.4172.6-0.4113.6R59R59-R61 PolarHBondContact O-N 3.42Å
62A64.8Low71.2Confident51 Ų5169 Ų6942%0.42140%0.402SS..SBendtrans-95.3165.4-179.700000112.1P60 R68P60-A62 PolarHBondContact O-N 3.12Å; A62-R68 PolarHBondContact O-NH2 3.33Å
63A63.2Low72.1Confident56 Ų5668.6 Ų68.646%0.46340%0.401SS..SBendtrans-44.9155.6177.900000113.5S67 R68A63-S67 WeakPolarHBondContact CB-OG 3.34Å; A63-R68 PolarHBondContact O-NE 3.37Å; A63-R68 PolarHBondContact O-NH2 3.49Å
64P62.2Low73.1Confident74 Ų7467.6 Ų67.648%0.48139%0.386SS..  trans-48.2145.2-175.2-26.732.5000113A66 S67P64-A66 PolarHBondContact O-N 3.34Å; P64-A66 VanDerWaalsContact O-N 3.09Å; P64-S67 WeakPolarHBondContact CD-OG 3.47Å; P64-S67 PolarHBondContact O-N 3.2Å; P64-S67 PolarHBondContact O-OG 2.88Å
65A61.8Low74Confident16 Ų1670.2 Ų70.213%0.13240%0.399CS..G310 helixtrans-45-46.3-176.800000113.6S67 R68 D317 I320 Y380A65-S67 PolarHBondContact O-N 3.49Å; A65-R68 PolarHBondContact O-N 3.18Å; A65-D317 PolarHBondContact N-O 3.09Å; A65-I320 HydrophobicContact CB-CG1 4.46Å; A65-Y380 HydrophobicContact CB-CD2 3.93Å; A65-Y380 HydrophobicContact CB-CE2 3.74Å
66A58.4Low75.2Confident103 Ų10365 Ų6585%0.85136%0.362SS*.G310 helixtrans-64.1-17.1179.300000115.7P64P64-A66 PolarHBondContact O-N 3.34Å; P64-A66 VanDerWaalsContact O-N 3.09Å
67S59.7Low76Confident73 Ų7363.3 Ų63.351%0.5135%0.345SS..G310 helixtrans-103.2-2.2-17865.20000113.7A63 P64 A65A63-S67 WeakPolarHBondContact CB-OG 3.34Å; P64-S67 WeakPolarHBondContact CD-OG 3.47Å; P64-S67 PolarHBondContact O-N 3.2Å; P64-S67 PolarHBondContact O-OG 2.88Å; A65-S67 PolarHBondContact O-N 3.49Å
68R70.4Confident76.5Confident46 Ų4661.7 Ų61.717%0.17434%0.343CS..SBendtrans-79.7133.8-178-65.4179.7-176.7-162.9-7.1110.1A62 A63 A65 Y380 N384A62-R68 PolarHBondContact O-NH2 3.33Å; A63-R68 PolarHBondContact O-NE 3.37Å; A63-R68 PolarHBondContact O-NH2 3.49Å; A65-R68 PolarHBondContact O-N 3.18Å; R68-Y380 VanDerWaalsContact NH1-CD1 3.3Å; R68-Y380 VanDerWaalsContact NH1-CE1 3.28Å; R68-N384 PolarHBondContact NH1-OD1 2.85Å; R68-N384 VanDerWaalsContact NH1-OD1 3.11Å; R68-N384 PolarHBondContact NH2-OD1 2.87Å
69L68.9Low77.1Confident129 Ų12966.3 Ų66.368%0.67537%0.367SS*.PPolyproline II helixtrans-58.1141.7167.1-71.8170000110A71L69-A71 PolarHBondContact O-N 2.65Å
70P75.5Confident77.7Confident81 Ų8156.9 Ų56.953%0.52633%0.332SS..PPolyproline II helixtrans-56.7127.4179.7-22.531.8000111.6L75P70-L75 HydrophobicContact CB-CD1 3.83Å; P70-L75 HydrophobicContact CB-CD2 4.09Å; P70-L75 HydrophobicContact CB-CG 4.05Å
71A85.9Confident78.8Confident19 Ų1957.3 Ų57.316%0.15733%0.331CS..  trans-116.9156.2172.900000109.9L69 A73 P74 L75 R242L69-A71 PolarHBondContact O-N 2.65Å; A71-A73 PolarHBondContact O-N 3.44Å; A71-P74 HydrophobicContact CB-CG 4.07Å; A71-P74 WeakPolarHBondContact O-CD 3.35Å; A71-L75 WeakPolarHBondContact O-CB 3.42Å; A71-L75 WeakPolarHBondContact O-CG 3.21Å; A71-L75 PolarHBondContact O-N 2.82Å; A71-R242 CarbonylContact C-O 3.31Å; A71-R242 WeakPolarHBondContact CA-O 3.46Å; A71-R242 HydrophobicContact CB-CB 4.23Å
72S91.2Very high80Confident6 Ų651.7 Ų51.74%0.04231%0.314CS..Hα-helixtrans-54.9-51.2-173.251.30000113.1L75 F76 R242 S243 Q245 F247S72-L75 PolarHBondContact O-N 3.24Å; S72-F76 WeakPolarHBondContact O-CB 3.43Å; S72-F76 PolarHBondContact O-N 3.33Å; S72-R242 PolarHBondContact N-O 2.97Å; S72-S243 WeakPolarHBondContact CB-O 3.37Å; S72-Q245 VanDerWaalsContact CB-O 3.29Å; S72-Q245 WeakPolarHBondContact CB-O 3.4Å; S72-Q245 PolarHBondContact OG-O 3.23Å; S72-F247 WeakPolarHBondContact OG-CD1 3.43Å
73A91.2Very high81Confident1 Ų152 Ų521%0.00832%0.317CS..Hα-helixtrans-62-52.1179.900000113.3A71 L75 F76 M77 V109 F247A71-A73 PolarHBondContact O-N 3.44Å; A73-L75 VanDerWaalsContact C-N 3.34Å; A73-L75 PolarHBondContact O-N 2.82Å; A73-F76 PolarHBondContact O-N 2.74Å; A73-M77 WeakPolarHBondContact O-CB 3.49Å; A73-M77 WeakPolarHBondContact O-CG 3.32Å; A73-M77 PolarHBondContact O-N 3.46Å; A73-V109 HydrophobicContact CB-CG1 4.33Å; A73-F247 HydrophobicContact CB-CB 4.05Å; A73-F247 HydrophobicContact CB-CD1 4.38Å; A73-F247 HydrophobicContact CB-CD2 3.95Å; A73-F247 HydrophobicContact CB-CE2 4.49Å; A73-F247 HydrophobicContact CB-CG 3.88Å
74P91.4Very high81.7Confident23 Ų2350.9 Ų50.915%0.14930%0.303CS..Hα-helixtrans-58-39.4174.5-23.727.9000114.9A71 M77 L78 Y380 V386A71-P74 HydrophobicContact CB-CG 4.07Å; A71-P74 WeakPolarHBondContact O-CD 3.35Å; P74-M77 PolarHBondContact O-N 3.46Å; P74-L78 WeakPolarHBondContact O-CB 3.33Å; P74-L78 PolarHBondContact O-N 2.94Å; P74-Y380 HydrophobicContact CG-CE1 4.25Å; P74-Y380 WeakPolarHBondContact CG-OH 3.41Å; P74-V386 HydrophobicContact CB-CG2 3.99Å; P74-V386 HydrophobicContact CG-CG2 3.69Å
75L91.8Very high82.2Confident71 Ų7149.6 Ų49.637%0.37230%0.298SS..Hα-helixtrans-62.3-51.6177.2-76.1172.2000110.7P70 A71 S72 A73 M77 L78 D79P70-L75 HydrophobicContact CB-CD1 3.83Å; P70-L75 HydrophobicContact CB-CD2 4.09Å; P70-L75 HydrophobicContact CB-CG 4.05Å; A71-L75 WeakPolarHBondContact O-CB 3.42Å; A71-L75 WeakPolarHBondContact O-CG 3.21Å; A71-L75 PolarHBondContact O-N 2.82Å; S72-L75 PolarHBondContact O-N 3.24Å; A73-L75 VanDerWaalsContact C-N 3.34Å; A73-L75 PolarHBondContact O-N 2.82Å; L75-M77 VanDerWaalsContact C-N 3.32Å; L75-M77 PolarHBondContact O-N 2.98Å; L75-L78 PolarHBondContact O-N 3Å; L75-D79 PolarHBondContact O-N 3.05Å
76F93.8Very high82.1Confident34 Ų3451.8 Ų51.815%0.14932%0.322CS..Hα-helixtrans-57.9-44177170.9-101.6000112.5S72 A73 L78 D79 L80 F247 V249S72-F76 WeakPolarHBondContact O-CB 3.43Å; S72-F76 PolarHBondContact O-N 3.33Å; A73-F76 PolarHBondContact O-N 2.74Å; F76-L78 VanDerWaalsContact C-N 3.31Å; F76-L78 PolarHBondContact O-N 3.25Å; F76-D79 PolarHBondContact O-N 3.21Å; F76-L80 HydrophobicContact CE1-CD2 4.36Å; F76-L80 WeakPolarHBondContact O-CB 3.49Å; F76-L80 PolarHBondContact O-N 3.12Å; F76-F247 HydrophobicContact CB-CE2 4.11Å; F76-F247 HydrophobicContact CB-CZ 3.62Å; F76-F247 AromaticContact CD1-CE2 3.66Å; F76-F247 HydrophobicContact CD1-CE2 3.66Å; F76-F247 AromaticContact CD1-CZ 3.95Å; F76-F247 HydrophobicContact CD1-CZ 3.95Å; F76-F247 HydrophobicContact CE1-CE2 4.36Å; F76-F247 AromaticContact CG-CE2 3.97Å; F76-F247 HydrophobicContact CG-CE2 3.97Å; F76-F247 AromaticContact CG-CZ 3.75Å; F76-F247 HydrophobicContact CG-CZ 3.75Å; F76-V249 HydrophobicContact CE1-CB 4.01Å; F76-V249 HydrophobicContact CE1-CG1 3.93Å; F76-V249 HydrophobicContact CE1-CG2 3.92Å; F76-V249 HydrophobicContact CZ-CG1 4.32Å
77M93.6Very high82Confident0 Ų050.4 Ų50.40%030%0.301CS..Hα-helixtrans-69.8-28.8-178.9-68.3-67.1-70.800112.6A73 P74 L75 L80 Y81 V105 V249 L378 V386 L388A73-M77 WeakPolarHBondContact O-CB 3.49Å; A73-M77 WeakPolarHBondContact O-CG 3.32Å; A73-M77 PolarHBondContact O-N 3.46Å; P74-M77 PolarHBondContact O-N 3.46Å; L75-M77 VanDerWaalsContact C-N 3.32Å; L75-M77 PolarHBondContact O-N 2.98Å; M77-L80 HydrophobicContact SD-CD2 4.12Å; M77-Y81 WeakPolarHBondContact O-CB 3.46Å; M77-Y81 PolarHBondContact O-N 2.99Å; M77-V105 HydrophobicContact CE-CB 4Å; M77-V105 HydrophobicContact CE-CG1 3.8Å; M77-V105 WeakPolarHBondContact CE-O 3.44Å; M77-V105 HydrophobicContact SD-CG1 3.99Å; M77-V249 HydrophobicContact SD-CG2 4.17Å; M77-L378 HydrophobicContact CB-CD1 3.9Å; M77-L378 HydrophobicContact CE-CD1 4.43Å; M77-V386 HydrophobicContact CB-CB 4.35Å; M77-V386 HydrophobicContact CB-CG1 3.74Å; M77-V386 HydrophobicContact CG-CB 4.16Å; M77-V386 HydrophobicContact CG-CG1 4.05Å; M77-L388 HydrophobicContact CE-CB 3.58Å
78L92.2Very high81.7Confident51 Ų5150.2 Ų50.227%0.26729%0.294SS..Hα-helixtrans-71.6-42.4172.8-175.464.5000111.5P74 L75 F76 L80 Y81 H82 I320 A321 L378P74-L78 WeakPolarHBondContact O-CB 3.33Å; P74-L78 PolarHBondContact O-N 2.94Å; L75-L78 PolarHBondContact O-N 3Å; F76-L78 VanDerWaalsContact C-N 3.31Å; F76-L78 PolarHBondContact O-N 3.25Å; L78-L80 VanDerWaalsContact C-N 3.3Å; L78-L80 PolarHBondContact O-N 3.07Å; L78-Y81 HydrophobicContact CD1-CD1 4.4Å; L78-Y81 WeakPolarHBondContact O-CB 3.46Å; L78-Y81 PolarHBondContact O-N 3.13Å; L78-H82 PolarHBondContact O-N 3.14Å; L78-I320 HydrophobicContact CD1-CG2 4.44Å; L78-A321 HydrophobicContact CD1-CB 4.22Å; L78-L378 HydrophobicContact CB-CD2 4.18Å; L78-L378 HydrophobicContact CD1-CD2 3.85Å
79D91.8Very high80.7Confident104 Ų10454.9 Ų54.956%0.55632%0.323SS*.Hα-helixtrans-61.4-42.3173.6-66.3-23.8000110.8L75 F76 Y81 H82 A83L75-D79 PolarHBondContact O-N 3.05Å; F76-D79 PolarHBondContact O-N 3.21Å; D79-Y81 VanDerWaalsContact C-N 3.34Å; D79-Y81 PolarHBondContact O-N 2.82Å; D79-H82 PolarHBondContact O-N 3.47Å; D79-A83 WeakPolarHBondContact O-CB 3.28Å; D79-A83 PolarHBondContact O-N 3.4Å
80L91.2Very high79.6Confident7 Ų756.6 Ų56.64%0.03733%0.325CS..Hα-helixtrans-60.8-41.7173.9179.660.8000111.9F76 M77 L78 A83 M84 L99 V105 F251 L388F76-L80 HydrophobicContact CE1-CD2 4.36Å; F76-L80 WeakPolarHBondContact O-CB 3.49Å; F76-L80 PolarHBondContact O-N 3.12Å; M77-L80 HydrophobicContact SD-CD2 4.12Å; L78-L80 VanDerWaalsContact C-N 3.3Å; L78-L80 PolarHBondContact O-N 3.07Å; L80-A83 PolarHBondContact O-N 3.42Å; L80-M84 HydrophobicContact CD1-CE 4.32Å; L80-M84 HydrophobicContact CD1-CG 4.24Å; L80-M84 HydrophobicContact CD1-SD 4.21Å; L80-M84 HydrophobicContact CG-CE 3.97Å; L80-M84 HydrophobicContact CG-SD 4.5Å; L80-M84 WeakPolarHBondContact O-CG 3.5Å; L80-M84 PolarHBondContact O-N 3.19Å; L80-L99 HydrophobicContact CD1-CD2 3.24Å; L80-L99 HydrophobicContact CD1-CG 3.67Å; L80-V105 HydrophobicContact CD2-CB 4.38Å; L80-V105 HydrophobicContact CD2-CG1 3.87Å; L80-V105 HydrophobicContact CD2-CG2 4.37Å; L80-F251 HydrophobicContact CD2-CE1 4.19Å; L80-L388 HydrophobicContact CB-CD2 4.43Å; L80-L388 HydrophobicContact CD2-CD2 4.07Å; L80-L388 HydrophobicContact CG-CD2 3.93Å
81Y90.8Very high78.2Confident30 Ų3059.3 Ų59.312%0.11834%0.335CS..Hα-helixtrans-60.3-48.3175169-99.6000111.8M77 L78 D79 A83 M84 A85 A321 P322 S376 L378 L388M77-Y81 WeakPolarHBondContact O-CB 3.46Å; M77-Y81 PolarHBondContact O-N 2.99Å; L78-Y81 HydrophobicContact CD1-CD1 4.4Å; L78-Y81 WeakPolarHBondContact O-CB 3.46Å; L78-Y81 PolarHBondContact O-N 3.13Å; D79-Y81 VanDerWaalsContact C-N 3.34Å; D79-Y81 PolarHBondContact O-N 2.82Å; Y81-A83 VanDerWaalsContact C-N 3.34Å; Y81-A83 PolarHBondContact O-N 2.88Å; Y81-M84 PolarHBondContact O-N 3.02Å; Y81-A85 VanDerWaalsContact O-CB 3.28Å; Y81-A85 WeakPolarHBondContact O-CB 3.47Å; Y81-A85 PolarHBondContact O-N 3.14Å; Y81-A321 HydrophobicContact CD1-CB 3.88Å; Y81-A321 HydrophobicContact CE1-CB 3.65Å; Y81-A321 HydrophobicContact CG-CB 4.47Å; Y81-P322 WeakPolarHBondContact OH-CB 3.16Å; Y81-P322 WeakPolarHBondContact OH-CD 3.32Å; Y81-S376 WeakPolarHBondContact CE2-O 3.23Å; Y81-L378 HydrophobicContact CD2-CB 4.42Å; Y81-L388 HydrophobicContact CD2-CD1 3.82Å
82H90Very high76Confident110 Ų11066.1 Ų66.151%0.50937%0.368SS..Hα-helixtrans-64-39178-65.2153.1000112.3L78 D79 M84 A85 G86L78-H82 PolarHBondContact O-N 3.14Å; D79-H82 PolarHBondContact O-N 3.47Å; H82-M84 VanDerWaalsContact C-N 3.32Å; H82-M84 PolarHBondContact O-N 2.98Å; H82-A85 PolarHBondContact O-N 2.91Å; H82-G86 PolarHBondContact O-N 2.87Å
83A86.6Confident73.6Confident59 Ų5969.1 Ų69.149%0.48839%0.393SS..Hα-helixtrans-62.6-38.3176.400000112.2D79 L80 Y81D79-A83 WeakPolarHBondContact O-CB 3.28Å; D79-A83 PolarHBondContact O-N 3.4Å; L80-A83 PolarHBondContact O-N 3.42Å; Y81-A83 VanDerWaalsContact C-N 3.34Å; Y81-A83 PolarHBondContact O-N 2.88Å
84M78.3Confident71Confident31 Ų3174.8 Ų74.815%0.15343%0.43CS..Hα-helixtrans-83.2-29.9179.3-67.5-167.5-56.400113.8L80 Y81 H82 G86 D87 L388L80-M84 HydrophobicContact CD1-CE 4.32Å; L80-M84 HydrophobicContact CD1-CG 4.24Å; L80-M84 HydrophobicContact CD1-SD 4.21Å; L80-M84 HydrophobicContact CG-CE 3.97Å; L80-M84 HydrophobicContact CG-SD 4.5Å; L80-M84 WeakPolarHBondContact O-CG 3.5Å; L80-M84 PolarHBondContact O-N 3.19Å; Y81-M84 PolarHBondContact O-N 3.02Å; H82-M84 VanDerWaalsContact C-N 3.32Å; H82-M84 PolarHBondContact O-N 2.98Å; M84-G86 PolarHBondContact O-N 2.03Å; M84-D87 PolarHBondContact O-N 2.04Å; M84-L388 HydrophobicContact CE-CD1 4.35Å; M84-L388 HydrophobicContact CE-CD2 3.1Å; M84-L388 HydrophobicContact CE-CG 3.7Å
85A71.3Confident68.5Low47 Ų4779 Ų7939%0.38847%0.467SS..Hα-helixtrans-67.7-23.3179.500000113Y81 H82Y81-A85 VanDerWaalsContact O-CB 3.28Å; Y81-A85 WeakPolarHBondContact O-CB 3.47Å; Y81-A85 PolarHBondContact O-N 3.14Å; H82-A85 PolarHBondContact O-N 2.91Å
86G60.8Low66.2Low62 Ų6284.1 Ų84.164%0.63949%0.489SS*.THydrogen-bonded Turntrans-77.8-13.8177.600000115.5H82 M84H82-G86 PolarHBondContact O-N 2.87Å; M84-G86 PolarHBondContact O-N 2.03Å
87D56.3Low64.1Low75 Ų7591.2 Ų91.240%0.40152%0.515SS..SBendtrans-95.1-10.8-174.3-86.9-11.7000113.7M84 D89 K90 R97M84-D87 PolarHBondContact O-N 2.04Å; D87-D89 PolarHBondContact O-N 3.19Å; D87-D89 VanDerWaalsContact O-N 3.17Å; D87-K90 PolarHBondContact O-N 2.84Å; D87-R97 IonicContact OD2-NH1 2.89Å
88D53.1Low61.7Low68 Ų68102 Ų10236%0.36456%0.555SS.*THydrogen-bonded Turntrans-73.5-3.1-174.3-80.6-34.8000114.7K390D88-K390 IonicContact OD1-NZ 3.76Å; D88-K390 PolarHBondContact OD1-NZ 2.03Å
89D49.4Very low59.8Low145 Ų145102.6 Ų102.678%0.77556%0.559SS**THydrogen-bonded Turntrans-100-0.2178.2-80.5-31.4000114.4D87D87-D89 PolarHBondContact O-N 3.19Å; D87-D89 VanDerWaalsContact O-N 3.17Å
90K45.4Very low57.9Low165 Ų165100.4 Ų100.472%0.71756%0.561SS**  trans-125.392.2-179.5-65.1-178.3-177.7176.20110.8D87 D92D87-K90 PolarHBondContact O-N 2.84Å; K90-D92 PolarHBondContact O-N 3.09Å
91D45.8Very low56.5Low138 Ų138108.2 Ų108.274%0.73859%0.589SS**THydrogen-bonded Turntrans-61.7-0.9176.2-89.6-27.8000113.7K371D91-K371 IonicContact OD2-NZ 3.44Å; D91-K371 PolarHBondContact OD2-NZ 2.95Å
92D40.5Very low55.9Low162 Ų162107.2 Ų107.287%0.86659%0.588SS**THydrogen-bonded Turntrans-131.134.4-172.8-74.6-47.6000115.3K90K90-D92 PolarHBondContact O-N 3.09Å
93A40Very low55.6Low68 Ų68103 Ų10356%0.56257%0.569SS**  trans-84.6139.4172.500000112.4
94P36.6Very low55.7Low121 Ų121100.4 Ų100.479%0.78655%0.547SS*.  trans-63.2149.3178.8-15.428.3000112.2E96P94-E96 PolarHBondContact O-N 2.86Å
95A40Very low56.4Low111 Ų11199 Ų9992%0.91754%0.54SS*.SBendtrans-69.734.2-17100000116.4
96E43.3Very low57.3Low179 Ų17996.8 Ų96.884%0.83652%0.522SS*.  trans-118.281.4175.2-72.4-164159.400111.7P94P94-E96 PolarHBondContact O-N 2.86Å
97R48.7Very low58.8Low183 Ų18393.9 Ų93.969%0.69149%0.492SS*.  trans-162.8106.4147.7-98.2153.7-170.2-171.53.6106.5D87 L99 G100D87-R97 IonicContact OD2-NH1 2.89Å; R97-L99 PolarHBondContact O-N 2.91Å; R97-G100 PolarHBondContact O-N 3.04Å
98R43.7Very low60.4Low225 Ų22590.4 Ų90.485%0.84947%0.473SS*.G310 helixtrans-48.9-27.2178.5-67.9179.8-177.7-179.80.3112.7G100R98-G100 PolarHBondContact O-N 2.73Å
99L51.9Low62Low65 Ų6590.4 Ų90.434%0.3448%0.475SS..G310 helixtrans-60.4-36.2175.7-93.261.2000114.9L80 R97 R101 F251L80-L99 HydrophobicContact CD1-CD2 3.24Å; L80-L99 HydrophobicContact CD1-CG 3.67Å; R97-L99 PolarHBondContact O-N 2.91Å; L99-R101 PolarHBondContact O-N 3.44Å; L99-F251 HydrophobicContact CD1-CE1 4.11Å; L99-F251 HydrophobicContact CD1-CZ 4.22Å; L99-F251 HydrophobicContact CG-CE1 4.18Å
100G52.2Low63.7Low58 Ų5884.2 Ų84.260%0.59844%0.442SS*.G310 helixtrans-76.2-5.9-172.700000115.2R97 R98R97-G100 PolarHBondContact O-N 3.04Å; R98-G100 PolarHBondContact O-N 2.73Å
101R62.7Low64.8Low170 Ų17080 Ų8064%0.64243%0.426SS*.G310 helixtrans-106.5-8.8-174-151.2176.5-169.4-172.63.1114.1L99 R253L99-R101 PolarHBondContact O-N 3.44Å; R101-R253 VanDerWaalsContact NE-NH1 3.18Å
102A77.3Confident65.8Low10 Ų1075.9 Ų75.98%0.08341%0.406CS..  trans-79.7128.1177.800000110.2V105 F251 F252A102-V105 HydrophobicContact CB-CG2 4Å; A102-F251 HydrophobicContact CB-CB 4.13Å; A102-F251 HydrophobicContact CB-CD1 4.12Å; A102-F252 CarbonylContact C-O 3.49Å; A102-F252 VanDerWaalsContact CA-O 3.29Å; A102-F252 WeakPolarHBondContact CA-O 3.16Å; A102-F252 WeakPolarHBondContact CB-O 3.24Å
103D84.1Confident66.6Low20 Ų2069.6 Ų69.611%0.10737%0.371CS..SBendtrans-84.4-20175.3-70.2-58.2000111.2F252 K390 R392D103-F252 PolarHBondContact N-O 3.06Å; D103-K390 PolarHBondContact O-N 3.4Å; D103-R392 VanDerWaalsContact CG-NH2 3.29Å; D103-R392 IonicContact OD1-CZ 2.82Å; D103-R392 IonicContact OD1-NE 2.65Å; D103-R392 PolarHBondContact OD1-NE 2.84Å; D103-R392 IonicContact OD1-NH2 3.45Å; D103-R392 PolarHBondContact OD1-NH2 3.34Å; D103-R392 IonicContact OD2-NH2 3.92Å; D103-R392 PolarHBondContact OD2-NH2 2.98Å
104L88.5Confident67.5Low5 Ų571.9 Ų71.93%0.02637%0.365CS..EExtended strand (participates in β ladder)trans-146135.3-178.4172.372.5000109.7M106 P136 E139 F252 I387 L388 R389L104-M106 HydrophobicContact CD1-CG 4.23Å; L104-M106 HydrophobicContact CD2-CG 4.38Å; L104-M106 HydrophobicContact CD2-SD 4.17Å; L104-M106 HydrophobicContact CG-CG 4.16Å; L104-P136 HydrophobicContact CD2-CG 4.24Å; L104-E139 HydrophobicContact CD2-CG 3.86Å; L104-F252 HydrophobicContact CB-CB 4.05Å; L104-F252 HydrophobicContact CB-CD2 4.46Å; L104-F252 HydrophobicContact CD2-CB 4.25Å; L104-F252 HydrophobicContact CD2-CD2 4Å; L104-F252 HydrophobicContact CD2-CG 4.21Å; L104-F252 HydrophobicContact CG-CB 4.35Å; L104-F252 HydrophobicContact CG-CD2 3.97Å; L104-F252 HydrophobicContact CG-CG 4.47Å; L104-F252 PolarHBondContact N-O 2.75Å; L104-F252 WeakPolarHBondContact O-CA 3.04Å; L104-F252 PolarHBondContact O-N 3.03Å; L104-I387 HydrophobicContact CD1-CG2 3.37Å; L104-L388 CarbonylContact C-O 3.5Å; L104-L388 WeakPolarHBondContact CA-O 3.36Å; L104-R389 HydrophobicContact CD1-CB 4.13Å; L104-R389 HydrophobicContact CD1-CG 4.2Å
105V91.8Very high68.3Low2 Ų268.6 Ų68.61%0.01234%0.341CS..EExtended strand (participates in β ladder)trans-129.7131172.1-172.50000108M77 L80 A102 V249 T250 F251 I387 L388M77-V105 HydrophobicContact CE-CB 4Å; M77-V105 HydrophobicContact CE-CG1 3.8Å; M77-V105 WeakPolarHBondContact CE-O 3.44Å; M77-V105 HydrophobicContact SD-CG1 3.99Å; L80-V105 HydrophobicContact CD2-CB 4.38Å; L80-V105 HydrophobicContact CD2-CG1 3.87Å; L80-V105 HydrophobicContact CD2-CG2 4.37Å; A102-V105 HydrophobicContact CB-CG2 4Å; V105-V249 HydrophobicContact CG1-CG2 3.43Å; V105-V249 VanDerWaalsContact CG1-CG2 3.43Å; V105-T250 WeakPolarHBondContact CA-O 3.46Å; V105-F251 HydrophobicContact CB-CD1 4.43Å; V105-F251 HydrophobicContact CG1-CD1 3.97Å; V105-F251 HydrophobicContact CG1-CE1 3.97Å; V105-F251 HydrophobicContact CG1-CG 4.47Å; V105-F251 HydrophobicContact CG1-CZ 4.48Å; V105-F251 HydrophobicContact CG2-CD1 3.59Å; V105-F251 HydrophobicContact CG2-CE1 4.02Å; V105-F251 HydrophobicContact CG2-CG 4.47Å; V105-I387 WeakPolarHBondContact O-CA 3.4Å; V105-L388 HydrophobicContact CB-CB 4.27Å; V105-L388 PolarHBondContact N-O 2.85Å; V105-L388 PolarHBondContact O-N 2.85Å
106M91.6Very high68.9Low1 Ų169.6 Ų69.61%0.00533%0.326CS..EExtended strand (participates in β ladder)trans-123145.8178.3-56.6178.865.200109.9L104 F108 Q134 V249 T250 F252 I387L104-M106 HydrophobicContact CD1-CG 4.23Å; L104-M106 HydrophobicContact CD2-CG 4.38Å; L104-M106 HydrophobicContact CD2-SD 4.17Å; L104-M106 HydrophobicContact CG-CG 4.16Å; M106-F108 HydrophobicContact CB-CE2 4.02Å; M106-F108 HydrophobicContact CB-CZ 3.94Å; M106-F108 HydrophobicContact CE-CE1 4.07Å; M106-F108 HydrophobicContact CE-CZ 3.93Å; M106-F108 HydrophobicContact SD-CZ 4.25Å; M106-Q134 HydrophobicContact CE-CB 4.18Å; M106-V249 WeakPolarHBondContact O-CA 3.3Å; M106-T250 PolarHBondContact N-O 2.97Å; M106-T250 PolarHBondContact O-N 2.93Å; M106-T250 PolarHBondContact O-OG1 3.37Å; M106-F252 HydrophobicContact CB-CE2 3.89Å; M106-F252 HydrophobicContact CG-CD2 4.26Å; M106-F252 HydrophobicContact CG-CE2 3.69Å; M106-F252 HydrophobicContact SD-CE2 3.8Å; M106-F252 HydrophobicContact SD-CZ 4.18Å; M106-I387 HydrophobicContact CE-CD1 3.86Å; M106-I387 HydrophobicContact CE-CG1 4.17Å; M106-I387 HydrophobicContact CG-CG1 4.2Å; M106-I387 HydrophobicContact CG-CG2 4.36Å
107S92.7Very high69.2Low1 Ų163.2 Ų63.21%0.00730%0.304CS..EExtended strand (participates in β ladder)trans-115134.4171.860.30000110.6V248 N385 V386S107-V248 CarbonylContact C-O 3.57Å; S107-V248 VanDerWaalsContact CA-O 3.3Å; S107-V248 WeakPolarHBondContact CA-O 3.4Å; S107-N385 WeakPolarHBondContact O-CB 3.31Å; S107-N385 PolarHBondContact O-OD1 2.8Å; S107-V386 PolarHBondContact N-O 2.93Å; S107-V386 VanDerWaalsContact OG-CB 3.3Å; S107-V386 WeakPolarHBondContact OG-CB 3.49Å; S107-V386 PolarHBondContact OG-N 3.29Å; S107-V386 PolarHBondContact OG-O 3.21Å
108F89.8Confident69.2Low1 Ų162.8 Ų62.80%0.00432%0.315CS..EExtended strand (participates in β ladder)trans-116.8126.8179.7-58-79.2000109.6M106 F130 D131 L132 I135 F247 V248 T250M106-F108 HydrophobicContact CB-CE2 4.02Å; M106-F108 HydrophobicContact CB-CZ 3.94Å; M106-F108 HydrophobicContact CE-CE1 4.07Å; M106-F108 HydrophobicContact CE-CZ 3.93Å; M106-F108 HydrophobicContact SD-CZ 4.25Å; F108-F130 HydrophobicContact CB-CB 4.23Å; F108-F130 HydrophobicContact CB-CD1 3.95Å; F108-F130 HydrophobicContact CB-CG 4.48Å; F108-F130 WeakPolarHBondContact O-CD1 3.41Å; F108-F130 WeakPolarHBondContact O-CE1 3.03Å; F108-D131 VanDerWaalsContact CD1-O 3.23Å; F108-D131 WeakPolarHBondContact CD1-O 3.46Å; F108-L132 HydrophobicContact CB-CD2 4.44Å; F108-L132 HydrophobicContact CD1-CD2 3.84Å; F108-L132 HydrophobicContact CD2-CD2 3.49Å; F108-L132 VanDerWaalsContact CD2-CD2 3.49Å; F108-L132 HydrophobicContact CE1-CD2 3.87Å; F108-L132 HydrophobicContact CE2-CD2 3.49Å; F108-L132 VanDerWaalsContact CE2-CD2 3.49Å; F108-L132 HydrophobicContact CG-CD2 3.65Å; F108-L132 HydrophobicContact CZ-CD2 3.71Å; F108-I135 HydrophobicContact CZ-CD1 4.16Å; F108-I135 HydrophobicContact CZ-CG1 3.78Å; F108-F247 WeakPolarHBondContact O-CA 3.38Å; F108-F247 WeakPolarHBondContact O-CB 3.33Å; F108-V248 HydrophobicContact CB-CB 4.46Å; F108-V248 HydrophobicContact CD2-CG1 4.49Å; F108-V248 PolarHBondContact N-O 3.08Å; F108-V248 PolarHBondContact O-N 3.1Å; F108-T250 HydrophobicContact CD2-CG2 4.29Å; F108-T250 HydrophobicContact CE2-CG2 3.94Å; F108-T250 VanDerWaalsContact CE2-OG1 3.25Å; F108-T250 WeakPolarHBondContact CE2-OG1 3.38Å
109V86.3Confident69.2Low68 Ų6853.9 Ų53.941%0.41229%0.293SS..EExtended strand (participates in β ladder)trans-87.2146.2177.8-650000110.6A73 M111A73-V109 HydrophobicContact CB-CG1 4.33Å; V109-M111 PolarHBondContact O-N 3.21Å
110N84.1Confident69.1Low15 Ų1560.4 Ų60.48%0.0832%0.321CS..  trans-64.6122.8177.2-176.532000110.8V112 R129 F130 Q238 P246N110-V112 PolarHBondContact ND2-O 2.96Å; N110-V112 PolarHBondContact OD1-N 3.2Å; N110-V112 PolarHBondContact OD1-O 3.47Å; N110-R129 PolarHBondContact OD1-N 2.7Å; N110-R129 PolarHBondContact OD1-O 3.12Å; N110-R129 VanDerWaalsContact OD1-O 3.11Å; N110-F130 HydrophobicContact CB-CE1 3.95Å; N110-F130 HydrophobicContact CB-CZ 4.18Å; N110-Q238 PolarHBondContact O-NE2 2.9Å; N110-P246 HydrophobicContact CB-CG 4.49Å
111M69.5Low69.3Low78 Ų7865.4 Ų65.438%0.38433%0.329SS..  trans-85.3-35.9178.2-62.4-166.4-62.500112.5V109 R129 D131 D213V109-M111 PolarHBondContact O-N 3.21Å; M111-R129 PolarHBondContact N-O 3.06Å; M111-D131 HydrophobicContact CE-CB 3.56Å; M111-D131 HydrophobicContact SD-CB 3.41Å; M111-D131 WeakPolarHBondContact SD-CB 3.03Å; M111-D213 HydrophobicContact CE-CB 4.37Å
112V65.8Low69.3Low51 Ų5164.4 Ų64.431%0.30933%0.332SS..EExtended strand (participates in β ladder)trans-136.7125.9-171.7179.80000108.7N110 R114 R129N110-V112 PolarHBondContact ND2-O 2.96Å; N110-V112 PolarHBondContact OD1-N 3.2Å; N110-V112 PolarHBondContact OD1-O 3.47Å; V112-R114 HydrophobicContact CG1-CG 3.84Å; V112-R129 HydrophobicContact CB-CB 4.03Å; V112-R129 HydrophobicContact CB-CG 4.16Å; V112-R129 HydrophobicContact CG2-CB 4.41Å; V112-R129 PolarHBondContact O-N 2.94Å
113E58.7Low68.9Low30 Ų3066.7 Ų66.714%0.1435%0.346CS..EExtended strand (participates in β ladder)trans-109.7104.8162.7-172.2155.4118.400108.4K126 G237 Q238E113-K126 WeakPolarHBondContact OE1-CE 3.46Å; E113-K126 IonicContact OE1-NZ 2.91Å; E113-K126 PolarHBondContact OE1-NZ 3.37Å; E113-K126 WeakPolarHBondContact OE2-CE 3.03Å; E113-K126 IonicContact OE2-NZ 3.39Å; E113-G237 WeakPolarHBondContact OE1-CA 3.47Å; E113-G237 VanDerWaalsContact OE2-C 3.31Å; E113-G237 WeakPolarHBondContact OE2-CA 3.47Å; E113-Q238 HydrophobicContact CB-CB 3.93Å; E113-Q238 PolarHBondContact OE1-N 3.47Å; E113-Q238 VanDerWaalsContact OE1-N 3.1Å; E113-Q238 WeakPolarHBondContact OE2-CB 3.36Å; E113-Q238 PolarHBondContact OE2-N 3.38Å
114R58.3Low68.8Low115 Ų11568.1 Ų68.143%0.43435%0.352SS..EExtended strand (participates in β ladder)trans-9699.4167-78.6-180-176.1170.41.4107.2V112 H116 E127 E171V112-R114 HydrophobicContact CG1-CG 3.84Å; R114-H116 PolarHBondContact O-N 2.94Å; R114-E127 HydrophobicContact CB-CB 4.49Å; R114-E127 PolarHBondContact N-O 3.1Å; R114-E127 PolarHBondContact O-N 3.44Å; R114-E171 IonicContact NH1-OE1 3.99Å; R114-E171 PolarHBondContact NH1-OE1 2.91Å
115D54.5Low68.7Low53 Ų5370.7 Ų70.728%0.28336%0.361SS..EExtended strand (participates in β ladder)trans-80.299.5163.8-65.8-31.5000106.7A117 K126D115-A117 PolarHBondContact O-N 3.26Å; D115-K126 WeakPolarHBondContact OD1-CG 2.99Å; D115-K126 IonicContact OD1-NZ 3.87Å; D115-K126 PolarHBondContact OD1-NZ 2.82Å; D115-K126 IonicContact OD2-NZ 3.47Å
116H52.5Low68.6Low131 Ų13171.2 Ų71.261%0.60636%0.363SS*.  trans-74.819.6173.9-111.7-145.3000112.8R114 L118 W125R114-H116 PolarHBondContact O-N 2.94Å; H116-L118 PolarHBondContact O-N 3.46Å; H116-W125 HydrophobicContact CB-CZ2 4.02Å; H116-W125 AromaticContact ND1-CZ2 3.86Å
117A49.3Very low68.4Low46 Ų4671.6 Ų71.638%0.3837%0.365SS..THydrogen-bonded Turntrans-75.35.9-179.100000114.9D115D115-A117 PolarHBondContact O-N 3.26Å
118L47.5Very low68.3Low173 Ų17371.6 Ų71.691%0.90637%0.365SS*.THydrogen-bonded Turntrans-89.7-0.4-179.9-67.9172.8000113.9H116H116-L118 PolarHBondContact O-N 3.46Å
119G43.7Very low68.2Low38 Ų3873.2 Ų73.239%0.39237%0.371SS..SBendtrans-111.4143.3169.300000110.5Q121G119-Q121 PolarHBondContact O-N 2.88Å
120H51.4Low68.3Low203 Ų20370 Ų7094%0.9435%0.351SS*.SBendtrans-70.537.4176.6-64.557.2000112.5
121Q55.5Low68.2Low162 Ų16271.1 Ų71.176%0.75736%0.357SS*.  trans-110111.9-178.8-80.9-170.3-44.200109.9G119G119-Q121 PolarHBondContact O-N 2.88Å
122E62.2Low68.7Low149 Ų14968 Ų6870%0.69634%0.342SS*.SBendtrans-67.6148.1156.3-70.3179.8161.800109.4
123P69.4Low69.3Low58 Ų5868.9 Ų68.938%0.37735%0.348SS..SBendcis-80.7155.32.631-33.9000113.7W125 Y219P123-W125 HydrophobicContact CG-CE3 4.26Å; P123-W125 HydrophobicContact CG-CZ3 4.23Å; P123-W125 WeakPolarHBondContact O-CZ3 2.96Å; P123-Y219 HydrophobicContact CB-CE1 4.37Å; P123-Y219 HydrophobicContact CG-CE1 4.21Å
124H83.1Confident70.1Confident50 Ų5071 Ų7123%0.23136%0.358CS..PPolyproline II helixtrans-85.1132.2174.3-66.2-79000111.1S227 D229H124-S227 PolarHBondContact N-OG 3.42Å; H124-D229 HydrophobicContact CB-CB 4.46Å
125W86.6Confident71Confident60 Ų6066.7 Ų66.723%0.22734%0.343CS..EExtended strand (participates in β ladder)trans-143.8160.5173.869.285.4000112.7H116 P123 L218 Y219H116-W125 HydrophobicContact CB-CZ2 4.02Å; H116-W125 AromaticContact ND1-CZ2 3.86Å; P123-W125 HydrophobicContact CG-CE3 4.26Å; P123-W125 HydrophobicContact CG-CZ3 4.23Å; P123-W125 WeakPolarHBondContact O-CZ3 2.96Å; W125-L218 VanDerWaalsContact CA-O 3.31Å; W125-L218 WeakPolarHBondContact CA-O 3.42Å; W125-L218 WeakPolarHBondContact CB-O 3.12Å; W125-Y219 HydrophobicContact CB-CD1 3.88Å; W125-Y219 HydrophobicContact CB-CD2 4.5Å; W125-Y219 HydrophobicContact CB-CE1 3.58Å; W125-Y219 HydrophobicContact CB-CE2 4.23Å; W125-Y219 HydrophobicContact CB-CG 4.34Å; W125-Y219 HydrophobicContact CD2-CE1 4.36Å; W125-Y219 HydrophobicContact CE3-CE1 4.04Å; W125-Y219 HydrophobicContact CG-CE1 4.22Å
126K87.9Confident71.9Confident13 Ų1367 Ų676%0.05735%0.347CS..EExtended strand (participates in β ladder)trans-121.7128.6175.1-167.2167.8-176.297.70110.4E113 D115 F128 R217 L218 P230E113-K126 WeakPolarHBondContact OE1-CE 3.46Å; E113-K126 IonicContact OE1-NZ 2.91Å; E113-K126 PolarHBondContact OE1-NZ 3.37Å; E113-K126 WeakPolarHBondContact OE2-CE 3.03Å; E113-K126 IonicContact OE2-NZ 3.39Å; D115-K126 WeakPolarHBondContact OD1-CG 2.99Å; D115-K126 IonicContact OD1-NZ 3.87Å; D115-K126 PolarHBondContact OD1-NZ 2.82Å; D115-K126 IonicContact OD2-NZ 3.47Å; K126-F128 HydrophobicContact CB-CE2 4.24Å; K126-F128 HydrophobicContact CB-CZ 4.29Å; K126-F128 HydrophobicContact CD-CE1 4.13Å; K126-F128 HydrophobicContact CD-CE2 4.32Å; K126-F128 HydrophobicContact CD-CZ 3.57Å; K126-F128 HydrophobicContact CG-CE1 4.16Å; K126-F128 HydrophobicContact CG-CE2 3.99Å; K126-F128 HydrophobicContact CG-CZ 3.64Å; K126-R217 WeakPolarHBondContact O-CA 3.45Å; K126-L218 PolarHBondContact N-O 2.81Å; K126-L218 PolarHBondContact O-N 2.73Å; K126-P230 HydrophobicContact CB-CB 4.2Å; K126-P230 HydrophobicContact CB-CG 4.01Å; K126-P230 HydrophobicContact CD-CB 4.31Å
127E88.8Confident72.8Confident9 Ų967 Ų674%0.04235%0.352CS..EExtended strand (participates in β ladder)trans-106.5132.8-179.6-169176.1127.600111.7R114 R129 L216 R217R114-E127 HydrophobicContact CB-CB 4.49Å; R114-E127 PolarHBondContact N-O 3.1Å; R114-E127 PolarHBondContact O-N 3.44Å; E127-R129 IonicContact OE1-CZ 3.29Å; E127-R129 VanDerWaalsContact OE1-CZ 3.29Å; E127-R129 IonicContact OE1-NE 2.94Å; E127-R129 PolarHBondContact OE1-NE 3.39Å; E127-R129 IonicContact OE1-NH2 2.74Å; E127-R129 PolarHBondContact OE1-NH2 3.01Å; E127-L216 CarbonylContact C-O 3.56Å; E127-L216 VanDerWaalsContact CA-O 3.3Å; E127-L216 WeakPolarHBondContact CA-O 3.41Å; E127-R217 HydrophobicContact CB-CG 4.15Å; E127-R217 HydrophobicContact CG-CG 4.02Å; E127-R217 IonicContact OE2-CZ 3.45Å; E127-R217 IonicContact OE2-NE 2.91Å; E127-R217 PolarHBondContact OE2-NE 3.44Å; E127-R217 IonicContact OE2-NH2 3.09Å; E127-R217 PolarHBondContact OE2-NH2 3.13Å; E127-R217 VanDerWaalsContact OE2-NH2 3.09Å
128F89.9Confident74Confident0 Ų066.6 Ų66.60%035%0.353CS..EExtended strand (participates in β ladder)trans-118.5142.3177.3-54.1-83.1000110.2K126 F130 F146 I148 G215 L216 L218 P246K126-F128 HydrophobicContact CB-CE2 4.24Å; K126-F128 HydrophobicContact CB-CZ 4.29Å; K126-F128 HydrophobicContact CD-CE1 4.13Å; K126-F128 HydrophobicContact CD-CE2 4.32Å; K126-F128 HydrophobicContact CD-CZ 3.57Å; K126-F128 HydrophobicContact CG-CE1 4.16Å; K126-F128 HydrophobicContact CG-CE2 3.99Å; K126-F128 HydrophobicContact CG-CZ 3.64Å; F128-F130 HydrophobicContact CB-CE2 3.61Å; F128-F130 HydrophobicContact CB-CZ 3.97Å; F128-F146 HydrophobicContact CB-CE2 4.27Å; F128-F146 HydrophobicContact CD1-CE2 4.32Å; F128-F146 HydrophobicContact CD1-CZ 4.26Å; F128-F146 AromaticContact CD2-CE2 3.95Å; F128-F146 HydrophobicContact CD2-CE2 3.95Å; F128-F146 AromaticContact CD2-CZ 3.68Å; F128-F146 HydrophobicContact CD2-CZ 3.68Å; F128-F146 HydrophobicContact CE1-CZ 4.25Å; F128-F146 HydrophobicContact CE2-CE1 4.4Å; F128-F146 HydrophobicContact CE2-CE2 4.36Å; F128-F146 AromaticContact CE2-CZ 3.64Å; F128-F146 HydrophobicContact CE2-CZ 3.64Å; F128-F146 AromaticContact CG-CE2 3.91Å; F128-F146 HydrophobicContact CG-CE2 3.91Å; F128-F146 AromaticContact CG-CZ 3.99Å; F128-F146 HydrophobicContact CG-CZ 3.99Å; F128-F146 AromaticContact CZ-CZ 3.92Å; F128-F146 HydrophobicContact CZ-CZ 3.92Å; F128-I148 HydrophobicContact CE1-CD1 4.41Å; F128-I148 HydrophobicContact CE2-CD1 4.47Å; F128-I148 HydrophobicContact CZ-CD1 3.71Å; F128-G215 WeakPolarHBondContact O-CA 3.29Å; F128-L216 HydrophobicContact CB-CB 4.38Å; F128-L216 PolarHBondContact N-O 2.99Å; F128-L216 PolarHBondContact O-N 3.33Å; F128-L218 HydrophobicContact CE2-CB 4.04Å; F128-L218 HydrophobicContact CE2-CD1 4.46Å; F128-P246 HydrophobicContact CD1-CG 4.03Å; F128-P246 HydrophobicContact CE1-CB 4.24Å; F128-P246 HydrophobicContact CE1-CG 3.7Å
129R88.3Confident75.5Confident36 Ų3659.6 Ų59.614%0.13632%0.315CS..EExtended strand (participates in β ladder)trans-128.2135.1176.8-60.7-168.1179.8-159.9-0.6113.2N110 M111 V112 E127 E171 L214N110-R129 PolarHBondContact OD1-N 2.7Å; N110-R129 PolarHBondContact OD1-O 3.12Å; N110-R129 VanDerWaalsContact OD1-O 3.11Å; M111-R129 PolarHBondContact N-O 3.06Å; V112-R129 HydrophobicContact CB-CB 4.03Å; V112-R129 HydrophobicContact CB-CG 4.16Å; V112-R129 HydrophobicContact CG2-CB 4.41Å; V112-R129 PolarHBondContact O-N 2.94Å; E127-R129 IonicContact OE1-CZ 3.29Å; E127-R129 VanDerWaalsContact OE1-CZ 3.29Å; E127-R129 IonicContact OE1-NE 2.94Å; E127-R129 PolarHBondContact OE1-NE 3.39Å; E127-R129 IonicContact OE1-NH2 2.74Å; E127-R129 PolarHBondContact OE1-NH2 3.01Å; R129-E171 IonicContact CZ-OE1 3.06Å; R129-E171 IonicContact CZ-OE2 3.52Å; R129-E171 IonicContact NH1-OE1 3.06Å; R129-E171 IonicContact NH1-OE2 2.75Å; R129-E171 PolarHBondContact NH1-OE2 3.15Å; R129-E171 VanDerWaalsContact NH1-OE2 3.15Å; R129-E171 IonicContact NH2-OE1 2.73Å; R129-E171 PolarHBondContact NH2-OE1 3.03Å; R129-E171 IonicContact NH2-OE2 2.93Å; R129-E171 PolarHBondContact NH2-OE2 2.94Å; R129-L214 CarbonylContact C-O 3.56Å; R129-L214 VanDerWaalsContact CA-O 3.26Å; R129-L214 WeakPolarHBondContact CA-O 2.89Å
130F87.3Confident77.3Confident0 Ų059.9 Ų59.90%031%0.314CS..EExtended strand (participates in β ladder)trans-128.2130.7-178-56.1-85.7000111.3F108 N110 F128 L132 F146 D213 L214 L216 V248F108-F130 HydrophobicContact CB-CB 4.23Å; F108-F130 HydrophobicContact CB-CD1 3.95Å; F108-F130 HydrophobicContact CB-CG 4.48Å; F108-F130 WeakPolarHBondContact O-CD1 3.41Å; F108-F130 WeakPolarHBondContact O-CE1 3.03Å; N110-F130 HydrophobicContact CB-CE1 3.95Å; N110-F130 HydrophobicContact CB-CZ 4.18Å; F128-F130 HydrophobicContact CB-CE2 3.61Å; F128-F130 HydrophobicContact CB-CZ 3.97Å; F130-L132 HydrophobicContact CB-CD2 4.36Å; F130-L132 PolarHBondContact O-N 2.95Å; F130-F146 HydrophobicContact CE2-CD2 4.11Å; F130-F146 HydrophobicContact CE2-CE2 4.09Å; F130-F146 AromaticContact CZ-CD2 3.96Å; F130-F146 HydrophobicContact CZ-CD2 3.96Å; F130-F146 AromaticContact CZ-CE2 3.77Å; F130-F146 HydrophobicContact CZ-CE2 3.77Å; F130-D213 WeakPolarHBondContact O-CA 3.43Å; F130-L214 HydrophobicContact CB-CB 4.25Å; F130-L214 HydrophobicContact CB-CD2 4.48Å; F130-L214 HydrophobicContact CD2-CD2 4.07Å; F130-L214 HydrophobicContact CD2-CG 4.23Å; F130-L214 PolarHBondContact N-O 3.19Å; F130-L214 PolarHBondContact O-N 2.9Å; F130-L216 HydrophobicContact CD2-CD1 4.4Å; F130-L216 HydrophobicContact CE2-CD1 3.94Å; F130-L216 HydrophobicContact CE2-CG 4.46Å; F130-V248 HydrophobicContact CD1-CB 4.3Å; F130-V248 HydrophobicContact CD1-CG2 4.03Å; F130-V248 HydrophobicContact CD2-CG2 3.82Å; F130-V248 HydrophobicContact CE1-CB 4.32Å; F130-V248 HydrophobicContact CE1-CG2 3.83Å; F130-V248 HydrophobicContact CE2-CG2 3.62Å; F130-V248 HydrophobicContact CG-CG2 4.03Å; F130-V248 HydrophobicContact CZ-CG2 3.63Å
131D83.3Confident79Confident39 Ų3951.3 Ų51.321%0.20928%0.276CS..  trans-82.2108.2173.7174.99.6000109.5F108 M111 T133F108-D131 VanDerWaalsContact CD1-O 3.23Å; F108-D131 WeakPolarHBondContact CD1-O 3.46Å; M111-D131 HydrophobicContact CE-CB 3.56Å; M111-D131 HydrophobicContact SD-CB 3.41Å; M111-D131 WeakPolarHBondContact SD-CB 3.03Å; D131-T133 WeakPolarHBondContact OD1-CB 3.4Å; D131-T133 WeakPolarHBondContact OD1-CG2 3.49Å; D131-T133 PolarHBondContact OD1-N 3.04Å; D131-T133 PolarHBondContact OD1-OG1 2.99Å; D131-T133 PolarHBondContact OD2-OG1 3.47Å
132L79.1Confident80.5Confident13 Ų1347.1 Ų47.17%0.06826%0.261CS..  trans-100.18.7179.1-58.6-174.7000112.9F108 F130 Q134 I135 W206 L214F108-L132 HydrophobicContact CB-CD2 4.44Å; F108-L132 HydrophobicContact CD1-CD2 3.84Å; F108-L132 HydrophobicContact CD2-CD2 3.49Å; F108-L132 VanDerWaalsContact CD2-CD2 3.49Å; F108-L132 HydrophobicContact CE1-CD2 3.87Å; F108-L132 HydrophobicContact CE2-CD2 3.49Å; F108-L132 VanDerWaalsContact CE2-CD2 3.49Å; F108-L132 HydrophobicContact CG-CD2 3.65Å; F108-L132 HydrophobicContact CZ-CD2 3.71Å; F130-L132 HydrophobicContact CB-CD2 4.36Å; F130-L132 PolarHBondContact O-N 2.95Å; L132-Q134 PolarHBondContact O-N 2.84Å; L132-Q134 VanDerWaalsContact O-N 3.11Å; L132-I135 HydrophobicContact CB-CD1 3.91Å; L132-I135 HydrophobicContact CD2-CD1 4.36Å; L132-I135 HydrophobicContact CG-CD1 4.5Å; L132-I135 WeakPolarHBondContact O-CG1 3.49Å; L132-I135 PolarHBondContact O-N 3.47Å; L132-W206 HydrophobicContact CD1-CB 4.3Å; L132-W206 HydrophobicContact CD1-CD2 3.45Å; L132-W206 VanDerWaalsContact CD1-CD2 3.45Å; L132-W206 HydrophobicContact CD1-CE3 3.44Å; L132-W206 VanDerWaalsContact CD1-CE3 3.44Å; L132-W206 HydrophobicContact CD1-CG 3.84Å; L132-W206 HydrophobicContact CD1-CZ3 4.02Å; L132-L214 HydrophobicContact CD1-CB 3.63Å; L132-L214 HydrophobicContact CD1-CD2 4.17Å; L132-L214 HydrophobicContact CG-CB 4.06Å
133T77.7Confident81.9Confident68 Ų6841 Ų4142%0.41724%0.236SC..THydrogen-bonded Turntrans-64.1-17.7-178.462.20000113.3D131 I135D131-T133 WeakPolarHBondContact OD1-CB 3.4Å; D131-T133 WeakPolarHBondContact OD1-CG2 3.49Å; D131-T133 PolarHBondContact OD1-N 3.04Å; D131-T133 PolarHBondContact OD1-OG1 2.99Å; D131-T133 PolarHBondContact OD2-OG1 3.47Å; T133-I135 VanDerWaalsContact C-N 3.31Å; T133-I135 PolarHBondContact O-N 3.48Å
134Q75.9Confident83Confident76 Ų7638.2 Ų38.236%0.35522%0.218SC..THydrogen-bonded Turntrans-81.4-3.8-179.5-58.9-59.7-39.700114.1M106 L132 P136 S383M106-Q134 HydrophobicContact CE-CB 4.18Å; L132-Q134 PolarHBondContact O-N 2.84Å; L132-Q134 VanDerWaalsContact O-N 3.11Å; Q134-P136 WeakPolarHBondContact O-CD 3.33Å; Q134-S383 PolarHBondContact NE2-OG 2.83Å
135I77.5Confident83.6Confident23 Ų2338.2 Ų38.212%0.11822%0.218CC..PPolyproline II helixtrans-68.2121.4179.7-63.5174.6000109.8F108 L132 T133 F252F108-I135 HydrophobicContact CZ-CD1 4.16Å; F108-I135 HydrophobicContact CZ-CG1 3.78Å; L132-I135 HydrophobicContact CB-CD1 3.91Å; L132-I135 HydrophobicContact CD2-CD1 4.36Å; L132-I135 HydrophobicContact CG-CD1 4.5Å; L132-I135 WeakPolarHBondContact O-CG1 3.49Å; L132-I135 PolarHBondContact O-N 3.47Å; T133-I135 VanDerWaalsContact C-N 3.31Å; T133-I135 PolarHBondContact O-N 3.48Å; I135-F252 HydrophobicContact CD1-CE1 4.05Å; I135-F252 HydrophobicContact CD1-CZ 3.86Å; I135-F252 HydrophobicContact CG1-CE1 4.2Å; I135-F252 HydrophobicContact CG1-CZ 3.86Å; I135-F252 HydrophobicContact CG2-CD1 4.34Å; I135-F252 HydrophobicContact CG2-CE1 3.52Å; I135-F252 HydrophobicContact CG2-CZ 3.98Å
136P74Confident84Confident59 Ų5935.3 Ų35.338%0.38321%0.207SC..PPolyproline II helixtrans-64.4151.2-178-20.532000114L104 Q134 E139L104-P136 HydrophobicContact CD2-CG 4.24Å; Q134-P136 WeakPolarHBondContact O-CD 3.33Å; P136-E139 HydrophobicContact CB-CG 4.09Å; P136-E139 HydrophobicContact CG-CG 4.39Å
137D71.6Confident84.4Confident132 Ų13236.7 Ų36.771%0.70621%0.212SC*.THydrogen-bonded Turntrans-63.2135.4169.5-72.9-46.3000112.1R210D137-R210 IonicContact OD1-CZ 2.73Å; D137-R210 IonicContact OD1-NH1 3.37Å; D137-R210 PolarHBondContact OD1-NH1 3Å; D137-R210 IonicContact OD1-NH2 3.15Å; D137-R210 PolarHBondContact OD1-NH2 2.9Å
138G73.4Confident84.7Confident38 Ų3836.3 Ų36.339%0.39221%0.21SC..THydrogen-bonded Turntrans86.64.6175.800000114.9S255G138-S255 WeakPolarHBondContact O-CB 3.3Å; G138-S255 PolarHBondContact O-N 3.12Å; G138-S255 PolarHBondContact O-OG 3.19Å
139E79.3Confident85Confident26 Ų2637.8 Ų37.812%0.12122%0.216CC..EExtended strand (participates in β ladder)trans-94.9127.1169.5-64.2-68.5173.700109.6L104 P136 F252 R253 A254L104-E139 HydrophobicContact CD2-CG 3.86Å; P136-E139 HydrophobicContact CB-CG 4.09Å; P136-E139 HydrophobicContact CG-CG 4.39Å; E139-F252 HydrophobicContact CB-CB 4.17Å; E139-F252 HydrophobicContact CB-CD1 3.99Å; E139-F252 HydrophobicContact CB-CG 4.33Å; E139-R253 VanDerWaalsContact OE2-C 3.22Å; E139-A254 VanDerWaalsContact OE2-CA 3.29Å; E139-A254 WeakPolarHBondContact OE2-CA 3.43Å; E139-A254 PolarHBondContact OE2-N 3.28Å; E139-A254 VanDerWaalsContact OE2-N 3.12Å
140A82.2Confident85.3Confident44 Ų4436.4 Ų36.436%0.36421%0.211SC..EExtended strand (participates in β ladder)trans-97.4131.4175.800000109.7T142 F252 R253A140-T142 PolarHBondContact O-N 3.19Å; A140-F252 VanDerWaalsContact O-CA 3.29Å; A140-F252 WeakPolarHBondContact O-CA 3.39Å; A140-R253 PolarHBondContact N-O 2.85Å; A140-R253 PolarHBondContact O-N 3.5Å
141V86.3Confident85.7Confident23 Ų2338 Ų3814%0.13922%0.221CC..EExtended strand (participates in β ladder)trans-68.1129.6173.4-1770000108.7F252V141-F252 HydrophobicContact CG2-CD1 3.91Å; V141-F252 HydrophobicContact CG2-CE1 3.51Å; V141-F252 HydrophobicContact CG2-CZ 4.42Å
142T87.6Confident86.2Confident73 Ų7338.8 Ų38.845%0.44823%0.228SC..EExtended strand (participates in β ladder)trans-108.8-32.3178.155.70000112.4A140 F251 R253A140-T142 PolarHBondContact O-N 3.19Å; T142-F251 PolarHBondContact N-O 3.25Å; T142-F251 PolarHBondContact OG1-O 2.78Å; T142-R253 HydrophobicContact CG2-CB 3.63Å
143A90.8Very high86.7Confident20 Ų2038.3 Ų38.317%0.16523%0.226CC..EExtended strand (participates in β ladder)trans-155.9150.5174.700000109.3T200 T250 F251A143-T200 WeakPolarHBondContact CA-OG1 3.28Å; A143-T250 WeakPolarHBondContact O-CA 3.48Å; A143-F251 HydrophobicContact CB-CB 4.23Å; A143-F251 HydrophobicContact CB-CD2 3.89Å; A143-F251 HydrophobicContact CB-CG 4.4Å; A143-F251 PolarHBondContact N-O 3.44Å; A143-F251 PolarHBondContact O-N 2.89Å
144A92.6Very high86.8Confident0 Ų040.6 Ų40.60%023%0.234CC..EExtended strand (participates in β ladder)trans-141.7130.9171.100000109.9V199 T200 W206 V249 T250A144-V199 HydrophobicContact CB-CG2 3.81Å; A144-V199 WeakPolarHBondContact O-CG2 3.43Å; A144-V199 PolarHBondContact O-N 2.94Å; A144-T200 PolarHBondContact N-OG1 3.35Å; A144-T200 PolarHBondContact O-N 2.83Å; A144-T200 PolarHBondContact O-OG1 2.71Å; A144-W206 HydrophobicContact CB-CH2 4.16Å; A144-W206 HydrophobicContact CB-CZ3 4.17Å; A144-V249 CarbonylContact C-O 3.56Å; A144-V249 WeakPolarHBondContact CA-O 3.45Å; A144-T250 HydrophobicContact CB-CG2 3.83Å
145E95Very high86.9Confident50 Ų5044.3 Ų44.323%0.23425%0.251CS..EExtended strand (participates in β ladder)trans-122.7128.9-178.9-61.3175.3-175.700109.6R147 V196 L197 V248 V249E145-R147 IonicContact OE2-NE 2.82Å; E145-R147 IonicContact OE2-NH2 3.58Å; E145-V196 HydrophobicContact CB-CG1 3.93Å; E145-V196 HydrophobicContact CG-CG1 4.01Å; E145-V196 WeakPolarHBondContact OE2-CG1 3.34Å; E145-L197 WeakPolarHBondContact CA-O 3.37Å; E145-V248 CarbonylContact O-C 3.56Å; E145-V248 WeakPolarHBondContact O-CA 3.19Å; E145-V249 HydrophobicContact CB-CG1 3.8Å; E145-V249 PolarHBondContact N-O 2.89Å; E145-V249 PolarHBondContact O-N 2.81Å
146F95.6Very high87Confident0 Ų045.1 Ų45.10%026%0.256CS..EExtended strand (participates in β ladder)trans-92.6128.1167.1172.8-93.1000109.1F128 F130 I148 M165 L197 V199 L216 L218 P246 V248F128-F146 HydrophobicContact CB-CE2 4.27Å; F128-F146 HydrophobicContact CD1-CE2 4.32Å; F128-F146 HydrophobicContact CD1-CZ 4.26Å; F128-F146 AromaticContact CD2-CE2 3.95Å; F128-F146 HydrophobicContact CD2-CE2 3.95Å; F128-F146 AromaticContact CD2-CZ 3.68Å; F128-F146 HydrophobicContact CD2-CZ 3.68Å; F128-F146 HydrophobicContact CE1-CZ 4.25Å; F128-F146 HydrophobicContact CE2-CE1 4.4Å; F128-F146 HydrophobicContact CE2-CE2 4.36Å; F128-F146 AromaticContact CE2-CZ 3.64Å; F128-F146 HydrophobicContact CE2-CZ 3.64Å; F128-F146 AromaticContact CG-CE2 3.91Å; F128-F146 HydrophobicContact CG-CE2 3.91Å; F128-F146 AromaticContact CG-CZ 3.99Å; F128-F146 HydrophobicContact CG-CZ 3.99Å; F128-F146 AromaticContact CZ-CZ 3.92Å; F128-F146 HydrophobicContact CZ-CZ 3.92Å; F130-F146 HydrophobicContact CE2-CD2 4.11Å; F130-F146 HydrophobicContact CE2-CE2 4.09Å; F130-F146 AromaticContact CZ-CD2 3.96Å; F130-F146 HydrophobicContact CZ-CD2 3.96Å; F130-F146 AromaticContact CZ-CE2 3.77Å; F130-F146 HydrophobicContact CZ-CE2 3.77Å; F146-I148 HydrophobicContact CD1-CG2 4.43Å; F146-I148 HydrophobicContact CE1-CB 3.67Å; F146-I148 HydrophobicContact CE1-CD1 4.39Å; F146-I148 HydrophobicContact CE1-CG2 3.76Å; F146-I148 HydrophobicContact CZ-CB 4.09Å; F146-I148 HydrophobicContact CZ-CD1 4.36Å; F146-M165 HydrophobicContact CD1-CE 3.4Å; F146-M165 HydrophobicContact CE1-CE 3.51Å; F146-M165 HydrophobicContact CG-CE 3.93Å; F146-M165 HydrophobicContact CZ-CE 4.15Å; F146-L197 HydrophobicContact CB-CB 4.44Å; F146-L197 HydrophobicContact CD1-CB 4.37Å; F146-L197 HydrophobicContact CD1-CD1 3.88Å; F146-L197 HydrophobicContact CE1-CD1 4.27Å; F146-L197 PolarHBondContact N-O 2.8Å; F146-L197 PolarHBondContact O-N 3.49Å; F146-V199 HydrophobicContact CB-CG1 3.74Å; F146-V199 HydrophobicContact CB-CG2 4.18Å; F146-L216 HydrophobicContact CB-CD1 4.12Å; F146-L216 HydrophobicContact CD2-CD1 3.64Å; F146-L216 HydrophobicContact CE2-CD1 4.34Å; F146-L216 HydrophobicContact CG-CD1 4.05Å; F146-L218 HydrophobicContact CE1-CD1 4.33Å; F146-P246 HydrophobicContact CE2-CB 4.19Å; F146-P246 HydrophobicContact CZ-CB 4.02Å; F146-V248 HydrophobicContact CB-CG2 4.27Å; F146-V248 HydrophobicContact CD2-CG2 3.82Å
147R95.8Very high87.2Confident42 Ų4246.7 Ų46.716%0.15826%0.26CS..EExtended strand (participates in β ladder)trans-118.2125.5-176.7-69.1-179.3153.4-127.5-5.4110.5E145 W194 L195 V196 P246 F247E145-R147 IonicContact OE2-NE 2.82Å; E145-R147 IonicContact OE2-NH2 3.58Å; R147-W194 HydrophobicContact CB-CE3 4.11Å; R147-W194 HydrophobicContact CB-CZ3 4.32Å; R147-L195 WeakPolarHBondContact CA-O 3.27Å; R147-V196 HydrophobicContact CG-CG1 4.42Å; R147-V196 HydrophobicContact CG-CG2 4.32Å; R147-P246 WeakPolarHBondContact O-CA 3.45Å; R147-P246 WeakPolarHBondContact O-CB 3.39Å; R147-F247 HydrophobicContact CB-CD1 4.3Å; R147-F247 HydrophobicContact CB-CE1 3.95Å; R147-F247 HydrophobicContact CB-CE2 4.32Å; R147-F247 HydrophobicContact CB-CZ 3.98Å; R147-F247 VanDerWaalsContact CD-CZ 3.45Å; R147-F247 HydrophobicContact CG-CE2 4.47Å; R147-F247 HydrophobicContact CG-CZ 4.32Å; R147-F247 PolarHBondContact N-O 2.67Å; R147-F247 PolarHBondContact O-N 3.4Å; R147-F247 VanDerWaalsContact O-N 3.08Å
148I95.6Very high87.8Confident1 Ų148.5 Ų48.51%0.00527%0.27CS..EExtended strand (participates in β ladder)trans-133.7140.7176.4-172.8162.8000110.1F128 F146 L195 L218 L235 L236 P246F128-I148 HydrophobicContact CE1-CD1 4.41Å; F128-I148 HydrophobicContact CE2-CD1 4.47Å; F128-I148 HydrophobicContact CZ-CD1 3.71Å; F146-I148 HydrophobicContact CD1-CG2 4.43Å; F146-I148 HydrophobicContact CE1-CB 3.67Å; F146-I148 HydrophobicContact CE1-CD1 4.39Å; F146-I148 HydrophobicContact CE1-CG2 3.76Å; F146-I148 HydrophobicContact CZ-CB 4.09Å; F146-I148 HydrophobicContact CZ-CD1 4.36Å; I148-L195 HydrophobicContact CG2-CB 3.93Å; I148-L195 HydrophobicContact CG2-CD2 4.13Å; I148-L195 HydrophobicContact CG2-CG 4.48Å; I148-L195 PolarHBondContact N-O 2.99Å; I148-L195 VanDerWaalsContact N-O 3.09Å; I148-L195 PolarHBondContact O-N 3.11Å; I148-L218 HydrophobicContact CD1-CD1 4.46Å; I148-L235 HydrophobicContact CD1-CB 3.9Å; I148-L235 HydrophobicContact CG1-CB 4.45Å; I148-L235 HydrophobicContact CG2-CD2 4.25Å; I148-L236 WeakPolarHBondContact CD1-O 3.25Å; I148-L236 VanDerWaalsContact CG1-O 3.3Å; I148-L236 WeakPolarHBondContact CG1-O 3.37Å; I148-P246 HydrophobicContact CB-CB 4.29Å; I148-P246 HydrophobicContact CG1-CB 4.26Å
149Y95.8Very high88.6Confident31 Ų3152 Ų5212%0.12227%0.271CS..EExtended strand (participates in β ladder)trans-87.7130.7-179.8-161.8-91.3000110.6V151 E192 W194 L236 R244Y149-V151 HydrophobicContact CD1-CG1 3.99Å; Y149-V151 HydrophobicContact CE1-CG1 3.87Å; Y149-E192 HydrophobicContact CE1-CG 4.14Å; Y149-E192 PolarHBondContact OH-OE1 2.79Å; Y149-W194 AromaticContact CD2-CD2 3.73Å; Y149-W194 HydrophobicContact CD2-CD2 3.73Å; Y149-W194 AromaticContact CD2-CE2 3.59Å; Y149-W194 HydrophobicContact CD2-CE3 4.23Å; Y149-W194 HydrophobicContact CD2-CG 4.03Å; Y149-W194 HydrophobicContact CD2-CH2 4.43Å; Y149-W194 AromaticContact CD2-CZ2 3.97Å; Y149-W194 HydrophobicContact CD2-CZ2 3.97Å; Y149-W194 AromaticContact CD2-NE1 3.79Å; Y149-W194 HydrophobicContact CE2-CG 4.5Å; Y149-W194 AromaticContact CE2-NE1 3.98Å; Y149-L236 HydrophobicContact CD1-CD1 3.71Å; Y149-L236 HydrophobicContact CD1-CG 4.4Å; Y149-L236 HydrophobicContact CG-CD1 4.37Å; Y149-L236 WeakPolarHBondContact O-CB 3.48Å; Y149-L236 PolarHBondContact O-N 2.9Å; Y149-R244 HydrophobicContact CD1-CB 4.36Å; Y149-R244 HydrophobicContact CD1-CG 4.2Å; Y149-R244 HydrophobicContact CD2-CG 4.31Å; Y149-R244 HydrophobicContact CE1-CG 4.45Å; Y149-R244 HydrophobicContact CG-CB 4.07Å; Y149-R244 HydrophobicContact CG-CG 4.1Å
150K95.1Very high89.3Confident6 Ų652.6 Ų52.63%0.02628%0.277CS..EExtended strand (participates in β ladder)trans-103.1129.7174.9174.973.6168.981.20109.1S153 L187 A189 D191 E192 G193 A233 G234 L235K150-S153 PolarHBondContact NZ-OG 3.04Å; K150-L187 HydrophobicContact CD-CD1 4.04Å; K150-L187 HydrophobicContact CG-CD1 4.05Å; K150-A189 PolarHBondContact NZ-O 3.3Å; K150-D191 VanDerWaalsContact CG-O 3.29Å; K150-D191 WeakPolarHBondContact CG-O 3.48Å; K150-E192 WeakPolarHBondContact O-CA 3.33Å; K150-E192 WeakPolarHBondContact O-CG 3.49Å; K150-G193 PolarHBondContact N-O 3.45Å; K150-G193 PolarHBondContact O-N 2.91Å; K150-A233 VanDerWaalsContact CD-O 3.25Å; K150-A233 WeakPolarHBondContact CD-O 3.35Å; K150-A233 WeakPolarHBondContact CE-O 3.49Å; K150-A233 PolarHBondContact NZ-O 3.16Å; K150-G234 CarbonylContact C-O 3.56Å; K150-G234 WeakPolarHBondContact CA-O 3.43Å; K150-L235 HydrophobicContact CB-CD2 4.17Å; K150-L235 HydrophobicContact CD-CD2 3.81Å; K150-L235 HydrophobicContact CD-CG 4.38Å
151V94.8Very high89.9Confident35 Ų3550.6 Ų50.621%0.21226%0.26CS..  trans-107.5160163.6-65.40000109.5Y149 S153 G234 L236Y149-V151 HydrophobicContact CD1-CG1 3.99Å; Y149-V151 HydrophobicContact CE1-CG1 3.87Å; V151-S153 PolarHBondContact O-N 2.8Å; V151-G234 WeakPolarHBondContact CG2-O 3.44Å; V151-G234 PolarHBondContact N-O 2.8Å; V151-L236 HydrophobicContact CG1-CD1 3.95Å; V151-L236 HydrophobicContact CG1-CD2 4.46Å; V151-L236 HydrophobicContact CG1-CG 4.28Å; V151-L236 HydrophobicContact CG2-CD2 4.06Å; V151-L236 HydrophobicContact CG2-CG 4.49Å
152P94.1Very high90.4Very high55 Ų5551.9 Ų51.936%0.35726%0.264SS..  trans-54.5134.4178.4-2636.3000111.9L157 E192P152-L157 HydrophobicContact CB-CD2 4.02Å; P152-E192 HydrophobicContact CG-CB 4.29Å
153S90.1Very high90.8Very high2 Ų248.5 Ų48.51%0.01424%0.243CC..  trans-67.6140.5-178.1-53.10000110.7K150 V151 H155 L157 A189 A233K150-S153 PolarHBondContact NZ-OG 3.04Å; V151-S153 PolarHBondContact O-N 2.8Å; S153-H155 PolarHBondContact O-N 3.05Å; S153-L157 WeakPolarHBondContact O-CD2 3.45Å; S153-A189 PolarHBondContact N-O 3.13Å; S153-A189 PolarHBondContact OG-O 3.16Å; S153-A189 VanDerWaalsContact OG-O 3.06Å; S153-A233 PolarHBondContact OG-O 3.39Å
154I79Confident91.1Very high116 Ų11648.2 Ų48.260%0.59524%0.24SC*.SBendtrans-65.7-37-171.7-54.8174.7000112.1
155H79Confident91.3Very high155 Ų15548.2 Ų48.272%0.71824%0.24SC*.SBendtrans-125.9-4.3-171.1-60.6-60.3000115.3S153S153-H155 PolarHBondContact O-N 3.05Å
156L78.8Confident91.2Very high40 Ų4047.9 Ų47.921%0.20924%0.238CC..  trans-11714.8-167-64.6172.5000114N158 R159 L161 A189 V228L156-N158 PolarHBondContact O-N 2.8Å; L156-R159 WeakPolarHBondContact O-CB 3.43Å; L156-R159 PolarHBondContact O-N 3.43Å; L156-L161 HydrophobicContact CD1-CD2 4.32Å; L156-A189 VanDerWaalsContact C-CB 3.47Å; L156-A189 HydrophobicContact CB-CB 3.97Å; L156-A189 WeakPolarHBondContact O-CB 3.15Å; L156-V228 HydrophobicContact CD1-CG1 3.64Å; L156-V228 HydrophobicContact CD1-CG2 4.1Å
157L78.4Confident91.1Very high92 Ų9248.4 Ų48.448%0.48224%0.241SC..THydrogen-bonded Turntrans-45.2-35.3-164.5-66.4169.8000116.4P152 S153 G190P152-L157 HydrophobicContact CB-CD2 4.02Å; S153-L157 WeakPolarHBondContact O-CD2 3.45Å; L157-G190 PolarHBondContact O-N 2.93Å
158N85.1Confident90.7Very high170 Ų17047.4 Ų47.491%0.90924%0.239SC*.THydrogen-bonded Turntrans-94.82.5-177.9-65.9-19.3000114.6L156L156-N158 PolarHBondContact O-N 2.8Å
159R89.8Confident90.2Very high111 Ų11149.5 Ų49.542%0.41925%0.252SS..SBendtrans-95152179.3-70.9-157.4175-162.82.5112.1L156 A189 D224L156-R159 WeakPolarHBondContact O-CB 3.43Å; L156-R159 PolarHBondContact O-N 3.43Å; R159-A189 VanDerWaalsContact O-CB 3.31Å; R159-A189 WeakPolarHBondContact O-CB 3.47Å; R159-A189 PolarHBondContact O-N 3.47Å; R159-D224 IonicContact CZ-OD2 3.34Å; R159-D224 IonicContact NH1-OD2 2.74Å; R159-D224 PolarHBondContact NH1-OD2 2.84Å; R159-D224 IonicContact NH2-OD2 3.65Å
160T94.1Very high89.2Confident39 Ų3953 Ų5324%0.23927%0.269CS..EExtended strand (participates in β ladder)trans-83.1135.6167.2-47.60000109.3T186 E223T160-T186 HydrophobicContact CG2-CG2 3.32Å; T160-E223 PolarHBondContact O-N 3.39Å; T160-E223 PolarHBondContact OG1-OE2 3.1Å
161L95.1Very high87.9Confident1 Ų157.6 Ų57.61%0.00529%0.291CS..EExtended strand (participates in β ladder)trans-116136.4176.5-59177.8000109.8L156 T186 L187 A189 V220 E221 T222 A233L156-L161 HydrophobicContact CD1-CD2 4.32Å; L161-T186 WeakPolarHBondContact O-CA 3.31Å; L161-L187 PolarHBondContact N-O 2.99Å; L161-L187 PolarHBondContact O-N 3.33Å; L161-A189 HydrophobicContact CD1-CB 3.86Å; L161-A189 HydrophobicContact CG-CB 4.06Å; L161-V220 HydrophobicContact CB-CG1 4.16Å; L161-V220 HydrophobicContact CD1-CG1 4.36Å; L161-V220 HydrophobicContact CD2-CG1 4.2Å; L161-V220 HydrophobicContact CG-CG1 4.48Å; L161-E221 CarbonylContact C-O 3.53Å; L161-E221 WeakPolarHBondContact CA-O 3.47Å; L161-T222 HydrophobicContact CD2-CG2 4.35Å; L161-A233 HydrophobicContact CD1-CB 4.05Å
162H96.5Very high86.6Confident50 Ų5059 Ų5923%0.23130%0.295CS..EExtended strand (participates in β ladder)trans-104.8117.3171.8-62.7-59.1000108.4L184 Q185 T186 V220 E221H162-L184 HydrophobicContact CB-CD1 3.97Å; H162-Q185 WeakPolarHBondContact CA-O 3.42Å; H162-T186 PolarHBondContact ND1-OG1 3.31Å; H162-V220 CarbonylContact O-C 3.56Å; H162-V220 WeakPolarHBondContact O-CA 3.25Å; H162-E221 HydrophobicContact CB-CB 4.48Å; H162-E221 PolarHBondContact N-O 3.02Å; H162-E221 PolarHBondContact O-N 3.41Å
163V96.6Very high84.8Confident2 Ų262.1 Ų62.11%0.01232%0.318CS..EExtended strand (participates in β ladder)trans-107.6110.1180-178.40000108.7L184 Q185 L187 L195 L197 L218 Y219 V220 L235V163-L184 WeakPolarHBondContact O-CA 3.4Å; V163-Q185 PolarHBondContact N-O 3.38Å; V163-Q185 PolarHBondContact O-N 3Å; V163-L187 HydrophobicContact CB-CD2 4.4Å; V163-L187 HydrophobicContact CG2-CD2 3.63Å; V163-L195 HydrophobicContact CB-CD2 4.17Å; V163-L195 HydrophobicContact CG1-CD2 3.89Å; V163-L195 HydrophobicContact CG2-CD2 4.26Å; V163-L197 HydrophobicContact CG1-CD1 4.27Å; V163-L218 HydrophobicContact CG1-CD1 3.76Å; V163-L218 HydrophobicContact CG1-CD2 4Å; V163-L218 HydrophobicContact CG1-CG 3.8Å; V163-Y219 WeakPolarHBondContact CA-O 3.07Å; V163-V220 HydrophobicContact CG2-CG1 4.43Å; V163-V220 HydrophobicContact CG2-CG2 4.24Å; V163-L235 HydrophobicContact CG1-CD1 4.35Å; V163-L235 HydrophobicContact CG2-CD1 4.4Å
164S96.8Very high83.3Confident14 Ų1469.3 Ų69.310%0.09836%0.357CS..EExtended strand (participates in β ladder)trans-105.2133.7-177.3-59.30000110.6L184 L218 Y219S164-L184 WeakPolarHBondContact OG-CD1 3.38Å; S164-L218 WeakPolarHBondContact O-CA 3.44Å; S164-Y219 PolarHBondContact N-O 3.28Å; S164-Y219 PolarHBondContact O-N 2.86Å
165M96.1Very high82.7Confident0 Ų073.1 Ų73.10%036%0.364CS..EExtended strand (participates in β ladder)trans-114.8133.8-179.1179.759.772.100111.1F146 L182 D183 L197 V199 L216 L218F146-M165 HydrophobicContact CD1-CE 3.4Å; F146-M165 HydrophobicContact CE1-CE 3.51Å; F146-M165 HydrophobicContact CG-CE 3.93Å; F146-M165 HydrophobicContact CZ-CE 4.15Å; M165-L182 HydrophobicContact CG-CB 4.24Å; M165-L182 HydrophobicContact CG-CD1 4.11Å; M165-L182 WeakPolarHBondContact O-CB 3.45Å; M165-L182 PolarHBondContact O-N 2.99Å; M165-D183 PolarHBondContact N-O 3.19Å; M165-D183 PolarHBondContact O-N 2.86Å; M165-L197 HydrophobicContact CB-CD1 4.3Å; M165-L197 HydrophobicContact CB-CD2 4.28Å; M165-L197 HydrophobicContact CE-CD1 3.67Å; M165-V199 HydrophobicContact CG-CG1 3.99Å; M165-L216 HydrophobicContact SD-CB 3.76Å; M165-L216 HydrophobicContact SD-CD1 4.23Å; M165-L216 HydrophobicContact SD-CD2 4.16Å; M165-L216 HydrophobicContact SD-CG 4.27Å; M165-L218 HydrophobicContact CE-CB 4.12Å; M165-L218 HydrophobicContact CE-CD1 3.99Å; M165-L218 HydrophobicContact CE-CG 4.44Å
166F93.9Very high82.2Confident44 Ų4474.2 Ų74.219%0.19337%0.369CS..EExtended strand (participates in β ladder)trans-132.1145.4-179.7-59.5-98.7000111.7L179 F180 F181 L216 R217 Y219F166-L179 HydrophobicContact CB-CB 4.13Å; F166-L179 HydrophobicContact CB-CD1 4.46Å; F166-L179 HydrophobicContact CB-CD2 4.5Å; F166-L179 HydrophobicContact CD1-CB 4.05Å; F166-L179 HydrophobicContact CG-CB 4.34Å; F166-L179 HydrophobicContact CG-CD1 4.43Å; F166-F180 CarbonylContact C-O 3.55Å; F166-F180 VanDerWaalsContact CA-O 3.23Å; F166-F180 WeakPolarHBondContact CA-O 3.42Å; F166-F181 HydrophobicContact CD1-CB 3.96Å; F166-F181 HydrophobicContact CD1-CD2 4.3Å; F166-F181 HydrophobicContact CE1-CB 3.83Å; F166-F181 AromaticContact CE1-CD2 3.74Å; F166-F181 HydrophobicContact CE1-CD2 3.74Å; F166-F181 HydrophobicContact CE1-CG 4.29Å; F166-F181 AromaticContact CZ-CD2 3.92Å; F166-F181 HydrophobicContact CZ-CD2 3.92Å; F166-L216 CarbonylContact O-C 3.58Å; F166-L216 WeakPolarHBondContact O-CA 3.37Å; F166-R217 PolarHBondContact N-O 3.18Å; F166-R217 PolarHBondContact O-N 3.47Å; F166-Y219 AromaticContact CD2-CD2 3.53Å; F166-Y219 HydrophobicContact CD2-CD2 3.53Å; F166-Y219 AromaticContact CD2-CE2 3.78Å; F166-Y219 HydrophobicContact CD2-CE2 3.78Å; F166-Y219 AromaticContact CE2-CD2 3.55Å; F166-Y219 HydrophobicContact CE2-CD2 3.55Å; F166-Y219 HydrophobicContact CE2-CE2 4.05Å; F166-Y219 HydrophobicContact CE2-CG 4.4Å
167Q92.1Very high82.3Confident11 Ų1173.1 Ų73.15%0.05136%0.364CS..EExtended strand (participates in β ladder)trans-83.6134.5165.3-179.1177.22100110.3V169 L179 F180 L182 A202 W206 L214Q167-V169 PolarHBondContact O-N 3.32Å; Q167-L179 WeakPolarHBondContact O-CA 3.39Å; Q167-F180 HydrophobicContact CB-CB 4.3Å; Q167-F180 PolarHBondContact N-O 3.1Å; Q167-F180 PolarHBondContact O-N 2.77Å; Q167-L182 HydrophobicContact CB-CD1 4Å; Q167-L182 HydrophobicContact CB-CD2 4.23Å; Q167-L182 HydrophobicContact CB-CG 4.23Å; Q167-A202 HydrophobicContact CB-CB 4.28Å; Q167-A202 HydrophobicContact CG-CB 4.25Å; Q167-W206 VanDerWaalsContact NE2-NE1 3.11Å; Q167-L214 HydrophobicContact CG-CD1 4.44Å
168V88.6Confident82.7Confident21 Ų2172.4 Ų72.413%0.12736%0.361CS..EExtended strand (participates in β ladder)trans-83.3106.4169.5-173.10000108.9L179 G215 R217V168-L179 HydrophobicContact CG2-CD2 4.15Å; V168-G215 PolarHBondContact N-O 3.32Å; V168-R217 HydrophobicContact CG2-CB 4.38Å; V168-R217 HydrophobicContact CG2-CG 3.61Å
169V84.1Confident82.9Confident44 Ų4467.3 Ų67.327%0.26733%0.333SS..EExtended strand (participates in β ladder)trans-83.8-40.5-175.2-1790000111.6Q167 D178 F180Q167-V169 PolarHBondContact O-N 3.32Å; V169-D178 HydrophobicContact CB-CB 4.3Å; V169-D178 PolarHBondContact N-O 3.08Å; V169-F180 HydrophobicContact CG2-CB 3.76Å
170Q75.2Confident83Confident105 Ų10565.7 Ų65.749%0.49133%0.33SS..EExtended strand (participates in β ladder)trans-143.4116.1179.3-172.4163.510.600110.5Q172 S177 D178Q170-Q172 HydrophobicContact CG-CG 4.2Å; Q170-Q172 PolarHBondContact O-N 3.33Å; Q170-S177 WeakPolarHBondContact O-CA 3.31Å; Q170-S177 WeakPolarHBondContact O-CB 3.35Å; Q170-D178 HydrophobicContact CB-CB 4.36Å; Q170-D178 PolarHBondContact O-N 2.83Å
171E68.5Low83Confident102 Ų10268.8 Ų68.848%0.47734%0.34SS..  trans-77.9112.7172.2-167.3171.9-168.600108.2R114 R129R114-E171 IonicContact NH1-OE1 3.99Å; R114-E171 PolarHBondContact NH1-OE1 2.91Å; R129-E171 IonicContact CZ-OE1 3.06Å; R129-E171 IonicContact CZ-OE2 3.52Å; R129-E171 IonicContact NH1-OE1 3.06Å; R129-E171 IonicContact NH1-OE2 2.75Å; R129-E171 PolarHBondContact NH1-OE2 3.15Å; R129-E171 VanDerWaalsContact NH1-OE2 3.15Å; R129-E171 IonicContact NH2-OE1 2.73Å; R129-E171 PolarHBondContact NH2-OE1 3.03Å; R129-E171 IonicContact NH2-OE2 2.93Å; R129-E171 PolarHBondContact NH2-OE2 2.94Å
172Q66.2Low83.1Confident64 Ų6469.8 Ų69.830%0.29935%0.345SS..  trans-105.9128.4172.9-61.5-164.420.600108.5Q170 N174 R175Q170-Q172 HydrophobicContact CG-CG 4.2Å; Q170-Q172 PolarHBondContact O-N 3.33Å; Q172-N174 VanDerWaalsContact C-N 3.29Å; Q172-N174 PolarHBondContact O-N 3.27Å; Q172-R175 HydrophobicContact CB-CB 4.16Å
173S57.7Low83.1Confident121 Ų12169.1 Ų69.185%0.84634%0.344SS*.SBendtrans-70.9-23.4-175.466.20000113.9
174N57.9Low83.1Confident153 Ų15372.9 Ų72.982%0.81836%0.363SS*.SBendtrans-122.57.1-171.9-77.112.6000113.7Q172Q172-N174 VanDerWaalsContact C-N 3.29Å; Q172-N174 PolarHBondContact O-N 3.27Å
175R66.5Low83.1Confident197 Ų19774.8 Ų74.874%0.74337%0.37SS*.SBendtrans-144.4165.3-178-70.3-171.4174.2-177.9-1.6111Q172 S177Q172-R175 HydrophobicContact CB-CB 4.16Å; R175-S177 PolarHBondContact O-N 3.12Å
176E69.3Low83.1Confident178 Ų17878.8 Ų78.883%0.83240%0.395SS*.PPolyproline II helixtrans-53.8136166.5-76.4-176.2167.800109.8
177S80.9Confident83.1Confident16 Ų1677.7 Ų77.711%0.11239%0.391CS..PPolyproline II helixtrans-76.7146.1180-45.20000109.7Q170 R175 L179 R217Q170-S177 WeakPolarHBondContact O-CA 3.31Å; Q170-S177 WeakPolarHBondContact O-CB 3.35Å; R175-S177 PolarHBondContact O-N 3.12Å; S177-L179 PolarHBondContact O-N 3.39Å; S177-R217 VanDerWaalsContact CB-NH1 3.34Å; S177-R217 PolarHBondContact OG-NH1 2.95Å; S177-R217 PolarHBondContact OG-NH2 3.47Å
178D85.6Confident83.2Confident77 Ų7785.7 Ų85.741%0.41242%0.421SS..EExtended strand (participates in β ladder)trans-70.2119.4176.9-66.8-35.7000109.9V169 Q170V169-D178 HydrophobicContact CB-CB 4.3Å; V169-D178 PolarHBondContact N-O 3.08Å; Q170-D178 HydrophobicContact CB-CB 4.36Å; Q170-D178 PolarHBondContact O-N 2.83Å
179L90.3Very high83.4Confident63 Ų6384.7 Ų84.733%0.3342%0.415SS..EExtended strand (participates in β ladder)trans-106140-178.8-58.3-175.8000111F166 Q167 V168 S177 Y219F166-L179 HydrophobicContact CB-CB 4.13Å; F166-L179 HydrophobicContact CB-CD1 4.46Å; F166-L179 HydrophobicContact CB-CD2 4.5Å; F166-L179 HydrophobicContact CD1-CB 4.05Å; F166-L179 HydrophobicContact CG-CB 4.34Å; F166-L179 HydrophobicContact CG-CD1 4.43Å; Q167-L179 WeakPolarHBondContact O-CA 3.39Å; V168-L179 HydrophobicContact CG2-CD2 4.15Å; S177-L179 PolarHBondContact O-N 3.39Å; L179-Y219 HydrophobicContact CD1-CE2 3.98Å; L179-Y219 WeakPolarHBondContact CD1-OH 3.36Å
180F91.6Very high83.8Confident77 Ų7784.1 Ų84.134%0.33842%0.417SS..EExtended strand (participates in β ladder)trans-118.4120.4171.4178.1-98.2000109.1F166 Q167 V169 L182 A201F166-F180 CarbonylContact C-O 3.55Å; F166-F180 VanDerWaalsContact CA-O 3.23Å; F166-F180 WeakPolarHBondContact CA-O 3.42Å; Q167-F180 HydrophobicContact CB-CB 4.3Å; Q167-F180 PolarHBondContact N-O 3.1Å; Q167-F180 PolarHBondContact O-N 2.77Å; V169-F180 HydrophobicContact CG2-CB 3.76Å; F180-L182 HydrophobicContact CD1-CD2 3.67Å; F180-L182 HydrophobicContact CE1-CD2 3.87Å; F180-A201 HydrophobicContact CE1-CB 4.2Å
181F94.5Very high84.7Confident105 Ų10582.6 Ų82.646%0.46141%0.413SS..EExtended strand (participates in β ladder)trans-63.7136-179.6176.5-98.5000111.2F166 D183 L184F166-F181 HydrophobicContact CD1-CB 3.96Å; F166-F181 HydrophobicContact CD1-CD2 4.3Å; F166-F181 HydrophobicContact CE1-CB 3.83Å; F166-F181 AromaticContact CE1-CD2 3.74Å; F166-F181 HydrophobicContact CE1-CD2 3.74Å; F166-F181 HydrophobicContact CE1-CG 4.29Å; F166-F181 AromaticContact CZ-CD2 3.92Å; F166-F181 HydrophobicContact CZ-CD2 3.92Å; F181-D183 WeakPolarHBondContact CE2-O 3.11Å; F181-D183 VanDerWaalsContact CZ-C 3.48Å; F181-L184 HydrophobicContact CE2-CB 4.03Å; F181-L184 HydrophobicContact CZ-CB 3.74Å
182L95.3Very high85.9Confident21 Ų2183.1 Ų83.111%0.1142%0.415CS..EExtended strand (participates in β ladder)trans-115.7-54.9179.9-61.5178.9000112M165 Q167 F180 V199 A201 A202 L216M165-L182 HydrophobicContact CG-CB 4.24Å; M165-L182 HydrophobicContact CG-CD1 4.11Å; M165-L182 WeakPolarHBondContact O-CB 3.45Å; M165-L182 PolarHBondContact O-N 2.99Å; Q167-L182 HydrophobicContact CB-CD1 4Å; Q167-L182 HydrophobicContact CB-CD2 4.23Å; Q167-L182 HydrophobicContact CB-CG 4.23Å; F180-L182 HydrophobicContact CD1-CD2 3.67Å; F180-L182 HydrophobicContact CE1-CD2 3.87Å; L182-V199 HydrophobicContact CD1-CB 4.01Å; L182-V199 HydrophobicContact CD1-CG1 3.82Å; L182-A201 HydrophobicContact CD2-CB 4.12Å; L182-A202 HydrophobicContact CD1-CB 3.97Å; L182-A202 HydrophobicContact CD2-CB 3.78Å; L182-L216 HydrophobicContact CD1-CD2 3.61Å
183D96.9Very high87.3Confident37 Ų3781.1 Ų81.120%0.19841%0.412CS..EExtended strand (participates in β ladder)trans-155157.6-172.5-166.920.4000112M165 F181 L197 D198M165-D183 PolarHBondContact N-O 3.19Å; M165-D183 PolarHBondContact O-N 2.86Å; F181-D183 WeakPolarHBondContact CE2-O 3.11Å; F181-D183 VanDerWaalsContact CZ-C 3.48Å; D183-L197 HydrophobicContact CB-CD2 4.15Å; D183-L197 VanDerWaalsContact OD2-CA 3.26Å; D183-L197 WeakPolarHBondContact OD2-CA 3.48Å; D183-L197 WeakPolarHBondContact OD2-CD2 3.3Å; D183-D198 WeakPolarHBondContact CB-O 3.32Å; D183-D198 PolarHBondContact OD2-N 3.48Å
184L96.9Very high89.1Confident80 Ų8079.9 Ų79.942%0.41939%0.389SS..EExtended strand (participates in β ladder)trans-138124.5176167.466.7000109.2H162 V163 S164 F181H162-L184 HydrophobicContact CB-CD1 3.97Å; V163-L184 WeakPolarHBondContact O-CA 3.4Å; S164-L184 WeakPolarHBondContact OG-CD1 3.38Å; F181-L184 HydrophobicContact CE2-CB 4.03Å; F181-L184 HydrophobicContact CZ-CB 3.74Å
185Q96.4Very high90.9Very high54 Ų5473.3 Ų73.325%0.25235%0.353SS..EExtended strand (participates in β ladder)trans-119.2142.2172-85.6-176.98500112.6H162 V163 L195 V196 L197H162-Q185 WeakPolarHBondContact CA-O 3.42Å; V163-Q185 PolarHBondContact N-O 3.38Å; V163-Q185 PolarHBondContact O-N 3Å; Q185-L195 HydrophobicContact CB-CD1 4.09Å; Q185-L195 HydrophobicContact CG-CD1 4.45Å; Q185-L195 VanDerWaalsContact OE1-CD1 3.23Å; Q185-V196 PolarHBondContact NE2-O 2.85Å; Q185-L197 HydrophobicContact CB-CD2 4.22Å; Q185-L197 HydrophobicContact CG-CD2 4.19Å; Q185-L197 VanDerWaalsContact NE2-CD2 3.33Å
186T95.9Very high92.4Very high84 Ų8466.2 Ų66.252%0.51533%0.332SS..EExtended strand (participates in β ladder)trans-113.3124.6177.5-57.60000109T160 L161 H162T160-T186 HydrophobicContact CG2-CG2 3.32Å; L161-T186 WeakPolarHBondContact O-CA 3.31Å; H162-T186 PolarHBondContact ND1-OG1 3.31Å
187L94.9Very high93.7Very high22 Ų2257.8 Ų57.812%0.11529%0.293CS..EExtended strand (participates in β ladder)trans-141.8164.8-17961.2138000111.6K150 L161 V163 L195K150-L187 HydrophobicContact CD-CD1 4.04Å; K150-L187 HydrophobicContact CG-CD1 4.05Å; L161-L187 PolarHBondContact N-O 2.99Å; L161-L187 PolarHBondContact O-N 3.33Å; V163-L187 HydrophobicContact CB-CD2 4.4Å; V163-L187 HydrophobicContact CG2-CD2 3.63Å; L187-L195 HydrophobicContact CD2-CD1 3.99Å; L187-L195 HydrophobicContact CD2-CD2 4.34Å
188R94.2Very high94.3Very high179 Ų17960.6 Ų60.668%0.67531%0.306SS*.EExtended strand (participates in β ladder)trans-82.5142.5171.8-62-179172.8178.2-1.5109.5G190 D191R188-G190 PolarHBondContact O-N 3.09Å; R188-D191 WeakPolarHBondContact CB-OD2 3.45Å; R188-D191 PolarHBondContact N-OD2 2.89Å; R188-D191 WeakPolarHBondContact O-CB 3.46Å; R188-D191 PolarHBondContact O-N 3.16Å
189A92.8Very high94.7Very high0 Ų056.9 Ų56.90%029%0.287CS..THydrogen-bonded Turntrans-59.6-28.4176.900000113.3K150 S153 L156 R159 L161 D191K150-A189 PolarHBondContact NZ-O 3.3Å; S153-A189 PolarHBondContact N-O 3.13Å; S153-A189 PolarHBondContact OG-O 3.16Å; S153-A189 VanDerWaalsContact OG-O 3.06Å; L156-A189 VanDerWaalsContact C-CB 3.47Å; L156-A189 HydrophobicContact CB-CB 3.97Å; L156-A189 WeakPolarHBondContact O-CB 3.15Å; R159-A189 VanDerWaalsContact O-CB 3.31Å; R159-A189 WeakPolarHBondContact O-CB 3.47Å; R159-A189 PolarHBondContact O-N 3.47Å; L161-A189 HydrophobicContact CD1-CB 3.86Å; L161-A189 HydrophobicContact CG-CB 4.06Å; A189-D191 VanDerWaalsContact C-N 3.3Å; A189-D191 PolarHBondContact O-N 3.28Å
190G92.8Very high94.8Very high31 Ų3155.5 Ų55.532%0.3228%0.281SS..THydrogen-bonded Turntrans-75.2-10.1174.900000115.5L157 R188L157-G190 PolarHBondContact O-N 2.93Å; R188-G190 PolarHBondContact O-N 3.09Å
191D93.1Very high94.7Very high74 Ų7454.1 Ų54.140%0.39628%0.283SS..  trans-69.3146.6-177.2-62.8-22.5000111.4K150 R188 A189K150-D191 VanDerWaalsContact CG-O 3.29Å; K150-D191 WeakPolarHBondContact CG-O 3.48Å; R188-D191 WeakPolarHBondContact CB-OD2 3.45Å; R188-D191 PolarHBondContact N-OD2 2.89Å; R188-D191 WeakPolarHBondContact O-CB 3.46Å; R188-D191 PolarHBondContact O-N 3.16Å; A189-D191 VanDerWaalsContact C-N 3.3Å; A189-D191 PolarHBondContact O-N 3.28Å
192E95.1Very high94.4Very high112 Ų11249.1 Ų49.152%0.52326%0.261SS..  trans-125.2138.5173.1-177.6173.7-170.300109.5Y149 K150 P152 R244Y149-E192 HydrophobicContact CE1-CG 4.14Å; Y149-E192 PolarHBondContact OH-OE1 2.79Å; K150-E192 WeakPolarHBondContact O-CA 3.33Å; K150-E192 WeakPolarHBondContact O-CG 3.49Å; P152-E192 HydrophobicContact CG-CB 4.29Å; E192-R244 IonicContact OE1-NH1 3.93Å
193G95.1Very high93.7Very high23 Ų2348.3 Ų48.324%0.23726%0.257CS..EExtended strand (participates in β ladder)trans147.4-173.5174.900000114.2K150K150-G193 PolarHBondContact N-O 3.45Å; K150-G193 PolarHBondContact O-N 2.91Å
194W95.8Very high92.5Very high95 Ų9552 Ų5236%0.3628%0.277SS..EExtended strand (participates in β ladder)trans-79.2120174.6-74.6104.8000110.6R147 Y149 F247R147-W194 HydrophobicContact CB-CE3 4.11Å; R147-W194 HydrophobicContact CB-CZ3 4.32Å; Y149-W194 AromaticContact CD2-CD2 3.73Å; Y149-W194 HydrophobicContact CD2-CD2 3.73Å; Y149-W194 AromaticContact CD2-CE2 3.59Å; Y149-W194 HydrophobicContact CD2-CE3 4.23Å; Y149-W194 HydrophobicContact CD2-CG 4.03Å; Y149-W194 HydrophobicContact CD2-CH2 4.43Å; Y149-W194 AromaticContact CD2-CZ2 3.97Å; Y149-W194 HydrophobicContact CD2-CZ2 3.97Å; Y149-W194 AromaticContact CD2-NE1 3.79Å; Y149-W194 HydrophobicContact CE2-CG 4.5Å; Y149-W194 AromaticContact CE2-NE1 3.98Å; W194-F247 HydrophobicContact CH2-CD1 4.37Å; W194-F247 AromaticContact CH2-CE1 3.85Å; W194-F247 HydrophobicContact CH2-CE1 3.85Å; W194-F247 HydrophobicContact CZ2-CE1 4.45Å; W194-F247 HydrophobicContact CZ3-CD1 4.36Å; W194-F247 AromaticContact CZ3-CE1 3.9Å; W194-F247 HydrophobicContact CZ3-CE1 3.9Å
195L96.1Very high91.2Very high14 Ų1454 Ų547%0.07328%0.279CS..EExtended strand (participates in β ladder)trans-86.8132.7166.8-171.469.1000108.9R147 I148 V163 Q185 L187 L197 L235R147-L195 WeakPolarHBondContact CA-O 3.27Å; I148-L195 HydrophobicContact CG2-CB 3.93Å; I148-L195 HydrophobicContact CG2-CD2 4.13Å; I148-L195 HydrophobicContact CG2-CG 4.48Å; I148-L195 PolarHBondContact N-O 2.99Å; I148-L195 VanDerWaalsContact N-O 3.09Å; I148-L195 PolarHBondContact O-N 3.11Å; V163-L195 HydrophobicContact CB-CD2 4.17Å; V163-L195 HydrophobicContact CG1-CD2 3.89Å; V163-L195 HydrophobicContact CG2-CD2 4.26Å; Q185-L195 HydrophobicContact CB-CD1 4.09Å; Q185-L195 HydrophobicContact CG-CD1 4.45Å; Q185-L195 VanDerWaalsContact OE1-CD1 3.23Å; L187-L195 HydrophobicContact CD2-CD1 3.99Å; L187-L195 HydrophobicContact CD2-CD2 4.34Å; L195-L197 HydrophobicContact CD2-CD1 4.12Å; L195-L197 HydrophobicContact CD2-CG 4.41Å; L195-L197 HydrophobicContact CG-CG 4.42Å; L195-L235 HydrophobicContact CD2-CD2 4.32Å
196V96.4Very high89.9Confident49 Ų4952.6 Ų52.630%0.29727%0.272SS..EExtended strand (participates in β ladder)trans-122.2101.9-174.3-174.80000109.5E145 R147 Q185E145-V196 HydrophobicContact CB-CG1 3.93Å; E145-V196 HydrophobicContact CG-CG1 4.01Å; E145-V196 WeakPolarHBondContact OE2-CG1 3.34Å; R147-V196 HydrophobicContact CG-CG1 4.42Å; R147-V196 HydrophobicContact CG-CG2 4.32Å; Q185-V196 PolarHBondContact NE2-O 2.85Å
197L96.8Very high88.4Confident0 Ų051.8 Ų51.80%026%0.264CS..EExtended strand (participates in β ladder)trans-97.6132.4-177.8-69.4152.6000110.4E145 F146 V163 M165 D183 Q185 L195 V199 L218E145-L197 WeakPolarHBondContact CA-O 3.37Å; F146-L197 HydrophobicContact CB-CB 4.44Å; F146-L197 HydrophobicContact CD1-CB 4.37Å; F146-L197 HydrophobicContact CD1-CD1 3.88Å; F146-L197 HydrophobicContact CE1-CD1 4.27Å; F146-L197 PolarHBondContact N-O 2.8Å; F146-L197 PolarHBondContact O-N 3.49Å; V163-L197 HydrophobicContact CG1-CD1 4.27Å; M165-L197 HydrophobicContact CB-CD1 4.3Å; M165-L197 HydrophobicContact CB-CD2 4.28Å; M165-L197 HydrophobicContact CE-CD1 3.67Å; D183-L197 HydrophobicContact CB-CD2 4.15Å; D183-L197 VanDerWaalsContact OD2-CA 3.26Å; D183-L197 WeakPolarHBondContact OD2-CA 3.48Å; D183-L197 WeakPolarHBondContact OD2-CD2 3.3Å; Q185-L197 HydrophobicContact CB-CD2 4.22Å; Q185-L197 HydrophobicContact CG-CD2 4.19Å; Q185-L197 VanDerWaalsContact NE2-CD2 3.33Å; L195-L197 HydrophobicContact CD2-CD1 4.12Å; L195-L197 HydrophobicContact CD2-CG 4.41Å; L195-L197 HydrophobicContact CG-CG 4.42Å; L197-V199 PolarHBondContact O-N 3.21Å; L197-L218 HydrophobicContact CD1-CD1 4.15Å
198D94.6Very high87Confident75 Ų7557.6 Ų57.640%0.40129%0.294SS..EExtended strand (participates in β ladder)trans-74.7117.1177.5-168-15.6000110.2D183 T200D183-D198 WeakPolarHBondContact CB-O 3.32Å; D183-D198 PolarHBondContact OD2-N 3.48Å; D198-T200 WeakPolarHBondContact OD1-CB 3.33Å; D198-T200 PolarHBondContact OD1-N 3.31Å; D198-T200 PolarHBondContact OD1-OG1 2.87Å
199V94.3Very high85.6Confident0 Ų054.7 Ų54.70%029%0.286CS..  trans-117.818.3177.5-60.50000111.4A144 F146 M165 L182 L197 A201 A202 W206 L216A144-V199 HydrophobicContact CB-CG2 3.81Å; A144-V199 WeakPolarHBondContact O-CG2 3.43Å; A144-V199 PolarHBondContact O-N 2.94Å; F146-V199 HydrophobicContact CB-CG1 3.74Å; F146-V199 HydrophobicContact CB-CG2 4.18Å; M165-V199 HydrophobicContact CG-CG1 3.99Å; L182-V199 HydrophobicContact CD1-CB 4.01Å; L182-V199 HydrophobicContact CD1-CG1 3.82Å; L197-V199 PolarHBondContact O-N 3.21Å; V199-A201 VanDerWaalsContact C-N 3.3Å; V199-A201 PolarHBondContact O-N 3.48Å; V199-A202 WeakPolarHBondContact O-CB 3.44Å; V199-A202 PolarHBondContact O-N 2.98Å; V199-A202 VanDerWaalsContact O-N 3.16Å; V199-W206 HydrophobicContact CG2-CH2 4.36Å; V199-L216 HydrophobicContact CG1-CD1 4.1Å; V199-L216 HydrophobicContact CG1-CD2 4.31Å
200T91.5Very high84.2Confident34 Ų3459.8 Ų59.821%0.20931%0.306CS..G310 helixtrans-59.1-40.7-178.4-54.50000111.7A143 A144 D198 A202 S203A143-T200 WeakPolarHBondContact CA-OG1 3.28Å; A144-T200 PolarHBondContact N-OG1 3.35Å; A144-T200 PolarHBondContact O-N 2.83Å; A144-T200 PolarHBondContact O-OG1 2.71Å; D198-T200 WeakPolarHBondContact OD1-CB 3.33Å; D198-T200 PolarHBondContact OD1-N 3.31Å; D198-T200 PolarHBondContact OD1-OG1 2.87Å; T200-A202 PolarHBondContact O-N 2.77Å; T200-A202 VanDerWaalsContact O-N 3.14Å; T200-S203 WeakPolarHBondContact O-CB 3.48Å; T200-S203 PolarHBondContact O-N 3.29Å; T200-S203 PolarHBondContact O-OG 2.8Å
201A90Very high82.8Confident47 Ų4766.7 Ų66.739%0.38833%0.329SS..G310 helixtrans-61.9-23.8-179.300000113.7F180 L182 V199 S203F180-A201 HydrophobicContact CE1-CB 4.2Å; L182-A201 HydrophobicContact CD2-CB 4.12Å; V199-A201 VanDerWaalsContact C-N 3.3Å; V199-A201 PolarHBondContact O-N 3.48Å; A201-S203 PolarHBondContact O-N 3.16Å
202A87.8Confident81.8Confident0 Ų069.5 Ų69.50%034%0.338CS..G310 helixtrans-70.9-21.4176.100000112.2Q167 L182 V199 T200 D204 R205 W206Q167-A202 HydrophobicContact CB-CB 4.28Å; Q167-A202 HydrophobicContact CG-CB 4.25Å; L182-A202 HydrophobicContact CD1-CB 3.97Å; L182-A202 HydrophobicContact CD2-CB 3.78Å; V199-A202 WeakPolarHBondContact O-CB 3.44Å; V199-A202 PolarHBondContact O-N 2.98Å; V199-A202 VanDerWaalsContact O-N 3.16Å; T200-A202 PolarHBondContact O-N 2.77Å; T200-A202 VanDerWaalsContact O-N 3.14Å; A202-D204 VanDerWaalsContact C-N 3.35Å; A202-D204 PolarHBondContact O-N 2.92Å; A202-R205 PolarHBondContact O-N 3.47Å; A202-W206 VanDerWaalsContact CB-CE2 3.49Å; A202-W206 HydrophobicContact CB-CH2 4.02Å; A202-W206 HydrophobicContact CB-CZ2 3.12Å; A202-W206 VanDerWaalsContact O-CE2 3.26Å; A202-W206 PolarHBondContact O-N 3.35Å; A202-W206 PolarHBondContact O-NE1 3.47Å
203S79.9Confident81Confident4 Ų467.9 Ų67.93%0.02833%0.333CS..Hα-helixtrans-64.8-30.7-177.973.20000115.1T200 A201 R205 W206 L207T200-S203 WeakPolarHBondContact O-CB 3.48Å; T200-S203 PolarHBondContact O-N 3.29Å; T200-S203 PolarHBondContact O-OG 2.8Å; A201-S203 PolarHBondContact O-N 3.16Å; S203-R205 PolarHBondContact O-N 3.41Å; S203-W206 VanDerWaalsContact CA-CE3 3.46Å; S203-W206 PolarHBondContact O-N 3.5Å; S203-W206 VanDerWaalsContact O-N 3.16Å; S203-L207 PolarHBondContact O-N 2.93Å
204D72.2Confident80.5Confident115 Ų11566.9 Ų66.962%0.61532%0.322SS*.Hα-helixtrans-56.9-35.9176.7-71-19.4000111.9A202A202-D204 VanDerWaalsContact C-N 3.35Å; A202-D204 PolarHBondContact O-N 2.92Å
205R69.6Low80.2Confident121 Ų12162.8 Ų62.846%0.45731%0.309SS..Hα-helixtrans-87.6-26.7180-71.9176-161-102.5-3.9113.2A202 S203 L208 K209A202-R205 PolarHBondContact O-N 3.47Å; S203-R205 PolarHBondContact O-N 3.41Å; R205-L208 PolarHBondContact O-N 3.49Å; R205-K209 PolarHBondContact O-N 3.17Å
206W70.3Confident80Confident26 Ų2662.1 Ų62.110%0.09831%0.306CS..Hα-helixtrans-66.4-42177.4-52.2-20.7000111.1L132 A144 Q167 V199 A202 S203 L208 K209 R210 L214 T250L132-W206 HydrophobicContact CD1-CB 4.3Å; L132-W206 HydrophobicContact CD1-CD2 3.45Å; L132-W206 VanDerWaalsContact CD1-CD2 3.45Å; L132-W206 HydrophobicContact CD1-CE3 3.44Å; L132-W206 VanDerWaalsContact CD1-CE3 3.44Å; L132-W206 HydrophobicContact CD1-CG 3.84Å; L132-W206 HydrophobicContact CD1-CZ3 4.02Å; A144-W206 HydrophobicContact CB-CH2 4.16Å; A144-W206 HydrophobicContact CB-CZ3 4.17Å; Q167-W206 VanDerWaalsContact NE2-NE1 3.11Å; V199-W206 HydrophobicContact CG2-CH2 4.36Å; A202-W206 VanDerWaalsContact CB-CE2 3.49Å; A202-W206 HydrophobicContact CB-CH2 4.02Å; A202-W206 HydrophobicContact CB-CZ2 3.12Å; A202-W206 VanDerWaalsContact O-CE2 3.26Å; A202-W206 PolarHBondContact O-N 3.35Å; A202-W206 PolarHBondContact O-NE1 3.47Å; S203-W206 VanDerWaalsContact CA-CE3 3.46Å; S203-W206 PolarHBondContact O-N 3.5Å; S203-W206 VanDerWaalsContact O-N 3.16Å; W206-L208 PolarHBondContact O-N 3.45Å; W206-K209 CarbonylContact O-C 3.47Å; W206-K209 VanDerWaalsContact O-C 3.23Å; W206-K209 PolarHBondContact O-N 3.37Å; W206-K209 VanDerWaalsContact O-N 3.09Å; W206-R210 PolarHBondContact O-N 3.33Å; W206-L214 HydrophobicContact CH2-CD2 3.58Å; W206-L214 HydrophobicContact CZ2-CB 4.46Å; W206-L214 HydrophobicContact CZ2-CD1 3.43Å; W206-L214 VanDerWaalsContact CZ2-CD1 3.43Å; W206-L214 HydrophobicContact CZ2-CD2 3.19Å; W206-L214 HydrophobicContact CZ2-CG 3.8Å; W206-L214 HydrophobicContact CZ3-CD2 4.43Å; W206-L214 VanDerWaalsContact NE1-CD1 3.32Å; W206-T250 HydrophobicContact CZ3-CG2 4.29Å
207L63.8Low79.8Confident67 Ų6760.7 Ų60.735%0.35130%0.295SS..Hα-helixtrans-61.7-31.1178.1-67.8172.9000112.4S203S203-L207 PolarHBondContact O-N 2.93Å
208L65.9Low79.7Confident144 Ų14460.7 Ų60.775%0.75430%0.295SS*.Hα-helixtrans-79.5-25.3176.5-66.1170.4000113.3R205 W206R205-L208 PolarHBondContact O-N 3.49Å; W206-L208 PolarHBondContact O-N 3.45Å
209K63.5Low79.6Confident117 Ų11758.5 Ų58.551%0.50928%0.282SS..  trans-131.365.2-175.8-68.2-177-179.1174.40111.4R205 W206 H211 K212R205-K209 PolarHBondContact O-N 3.17Å; W206-K209 CarbonylContact O-C 3.47Å; W206-K209 VanDerWaalsContact O-C 3.23Å; W206-K209 PolarHBondContact O-N 3.37Å; W206-K209 VanDerWaalsContact O-N 3.09Å; K209-H211 PolarHBondContact O-N 3.39Å; K209-K212 PolarHBondContact O-N 3.45Å
210R63.4Low79.6Confident107 Ų10758.5 Ų58.540%0.40428%0.282SS..THydrogen-bonded Turntrans-64.2-1.7-174.4-57.5-156.8-160.4-173.728.7117D137 W206D137-R210 IonicContact OD1-CZ 2.73Å; D137-R210 IonicContact OD1-NH1 3.37Å; D137-R210 PolarHBondContact OD1-NH1 3Å; D137-R210 IonicContact OD1-NH2 3.15Å; D137-R210 PolarHBondContact OD1-NH2 2.9Å; W206-R210 PolarHBondContact O-N 3.33Å
211H64.4Low79.7Confident177 Ų17760.6 Ų60.682%0.81929%0.289SS*.THydrogen-bonded Turntrans-108.511.5-179.9-62.6-62.2000113.6K209K209-H211 PolarHBondContact O-N 3.39Å
212K71.2Confident79.9Confident133 Ų13358.6 Ų58.658%0.57827%0.272SS*.SBendtrans-118.5138.2179.1-67.5-162.7176-160.70111.1K209K209-K212 PolarHBondContact O-N 3.45Å
213D78.8Confident80Confident77 Ų7765 Ų6541%0.41230%0.302SS..  trans-60.4145.8169.3-59.4-23.3000110.2M111 F130 G215M111-D213 HydrophobicContact CE-CB 4.37Å; F130-D213 WeakPolarHBondContact O-CA 3.43Å; D213-G215 PolarHBondContact O-N 3.36Å
214L84.4Confident80.5Confident2 Ų269.6 Ų69.61%0.0133%0.326CS..EExtended strand (participates in β ladder)trans-75.9115.7167.916457.9000108.9R129 F130 L132 Q167 W206 L216R129-L214 CarbonylContact C-O 3.56Å; R129-L214 VanDerWaalsContact CA-O 3.26Å; R129-L214 WeakPolarHBondContact CA-O 2.89Å; F130-L214 HydrophobicContact CB-CB 4.25Å; F130-L214 HydrophobicContact CB-CD2 4.48Å; F130-L214 HydrophobicContact CD2-CD2 4.07Å; F130-L214 HydrophobicContact CD2-CG 4.23Å; F130-L214 PolarHBondContact N-O 3.19Å; F130-L214 PolarHBondContact O-N 2.9Å; L132-L214 HydrophobicContact CD1-CB 3.63Å; L132-L214 HydrophobicContact CD1-CD2 4.17Å; L132-L214 HydrophobicContact CG-CB 4.06Å; Q167-L214 HydrophobicContact CG-CD1 4.44Å; W206-L214 HydrophobicContact CH2-CD2 3.58Å; W206-L214 HydrophobicContact CZ2-CB 4.46Å; W206-L214 HydrophobicContact CZ2-CD1 3.43Å; W206-L214 VanDerWaalsContact CZ2-CD1 3.43Å; W206-L214 HydrophobicContact CZ2-CD2 3.19Å; W206-L214 HydrophobicContact CZ2-CG 3.8Å; W206-L214 HydrophobicContact CZ3-CD2 4.43Å; W206-L214 VanDerWaalsContact NE1-CD1 3.32Å; L214-L216 HydrophobicContact CD1-CD2 3.67Å; L214-L216 HydrophobicContact CD1-CG 3.94Å; L214-L216 HydrophobicContact CD2-CD1 4.21Å; L214-L216 HydrophobicContact CD2-CD2 4.42Å; L214-L216 HydrophobicContact CD2-CG 4.15Å; L214-L216 HydrophobicContact CG-CD2 4.23Å; L214-L216 HydrophobicContact CG-CG 3.97Å
215G89.3Confident81.2Confident9 Ų966.6 Ų66.69%0.09332%0.322CS..EExtended strand (participates in β ladder)trans-96.1124.6167.100000111.5F128 V168 D213F128-G215 WeakPolarHBondContact O-CA 3.29Å; V168-G215 PolarHBondContact N-O 3.32Å; D213-G215 PolarHBondContact O-N 3.36Å
216L91.9Very high82.2Confident0 Ų066.4 Ų66.40%033%0.326CS..EExtended strand (participates in β ladder)trans-116.9137.9174.3-68.2-177.6000110E127 F128 F130 F146 M165 F166 L182 V199 L214 V248E127-L216 CarbonylContact C-O 3.56Å; E127-L216 VanDerWaalsContact CA-O 3.3Å; E127-L216 WeakPolarHBondContact CA-O 3.41Å; F128-L216 HydrophobicContact CB-CB 4.38Å; F128-L216 PolarHBondContact N-O 2.99Å; F128-L216 PolarHBondContact O-N 3.33Å; F130-L216 HydrophobicContact CD2-CD1 4.4Å; F130-L216 HydrophobicContact CE2-CD1 3.94Å; F130-L216 HydrophobicContact CE2-CG 4.46Å; F146-L216 HydrophobicContact CB-CD1 4.12Å; F146-L216 HydrophobicContact CD2-CD1 3.64Å; F146-L216 HydrophobicContact CE2-CD1 4.34Å; F146-L216 HydrophobicContact CG-CD1 4.05Å; M165-L216 HydrophobicContact SD-CB 3.76Å; M165-L216 HydrophobicContact SD-CD1 4.23Å; M165-L216 HydrophobicContact SD-CD2 4.16Å; M165-L216 HydrophobicContact SD-CG 4.27Å; F166-L216 CarbonylContact O-C 3.58Å; F166-L216 WeakPolarHBondContact O-CA 3.37Å; L182-L216 HydrophobicContact CD1-CD2 3.61Å; V199-L216 HydrophobicContact CG1-CD1 4.1Å; V199-L216 HydrophobicContact CG1-CD2 4.31Å; L214-L216 HydrophobicContact CD1-CD2 3.67Å; L214-L216 HydrophobicContact CD1-CG 3.94Å; L214-L216 HydrophobicContact CD2-CD1 4.21Å; L214-L216 HydrophobicContact CD2-CD2 4.42Å; L214-L216 HydrophobicContact CD2-CG 4.15Å; L214-L216 HydrophobicContact CG-CD2 4.23Å; L214-L216 HydrophobicContact CG-CG 3.97Å; L216-V248 HydrophobicContact CD1-CG2 4.23Å
217R92.1Very high83.2Confident20 Ų2066.4 Ų66.48%0.07533%0.33CS..EExtended strand (participates in β ladder)trans-120.6132.8173.5-78.6-175.5-167.6165.17.9111.1K126 E127 F166 V168 S177 Y219K126-R217 WeakPolarHBondContact O-CA 3.45Å; E127-R217 HydrophobicContact CB-CG 4.15Å; E127-R217 HydrophobicContact CG-CG 4.02Å; E127-R217 IonicContact OE2-CZ 3.45Å; E127-R217 IonicContact OE2-NE 2.91Å; E127-R217 PolarHBondContact OE2-NE 3.44Å; E127-R217 IonicContact OE2-NH2 3.09Å; E127-R217 PolarHBondContact OE2-NH2 3.13Å; E127-R217 VanDerWaalsContact OE2-NH2 3.09Å; F166-R217 PolarHBondContact N-O 3.18Å; F166-R217 PolarHBondContact O-N 3.47Å; V168-R217 HydrophobicContact CG2-CB 4.38Å; V168-R217 HydrophobicContact CG2-CG 3.61Å; S177-R217 VanDerWaalsContact CB-NH1 3.34Å; S177-R217 PolarHBondContact OG-NH1 2.95Å; S177-R217 PolarHBondContact OG-NH2 3.47Å; R217-Y219 HydrophobicContact CB-CE2 4.11Å
218L93.8Very high84.5Confident0 Ų063.9 Ų63.90%032%0.318CS..EExtended strand (participates in β ladder)trans-114.8129.4-179.8-175152.8000109.8W125 K126 F128 F146 I148 V163 S164 M165 L197 V220 P230 L235W125-L218 VanDerWaalsContact CA-O 3.31Å; W125-L218 WeakPolarHBondContact CA-O 3.42Å; W125-L218 WeakPolarHBondContact CB-O 3.12Å; K126-L218 PolarHBondContact N-O 2.81Å; K126-L218 PolarHBondContact O-N 2.73Å; F128-L218 HydrophobicContact CE2-CB 4.04Å; F128-L218 HydrophobicContact CE2-CD1 4.46Å; F146-L218 HydrophobicContact CE1-CD1 4.33Å; I148-L218 HydrophobicContact CD1-CD1 4.46Å; V163-L218 HydrophobicContact CG1-CD1 3.76Å; V163-L218 HydrophobicContact CG1-CD2 4Å; V163-L218 HydrophobicContact CG1-CG 3.8Å; S164-L218 WeakPolarHBondContact O-CA 3.44Å; M165-L218 HydrophobicContact CE-CB 4.12Å; M165-L218 HydrophobicContact CE-CD1 3.99Å; M165-L218 HydrophobicContact CE-CG 4.44Å; L197-L218 HydrophobicContact CD1-CD1 4.15Å; L218-V220 HydrophobicContact CD2-CG2 3.64Å; L218-P230 HydrophobicContact CD2-CB 3.99Å; L218-P230 HydrophobicContact CD2-CG 4Å; L218-L235 HydrophobicContact CD1-CD1 4.09Å; L218-L235 HydrophobicContact CD2-CD1 3.48Å; L218-L235 VanDerWaalsContact CD2-CD1 3.48Å; L218-L235 HydrophobicContact CG-CD1 4.44Å
219Y93.6Very high85.5Confident29 Ų2959 Ų5911%0.11429%0.292CS..EExtended strand (participates in β ladder)trans-114.2146.7172.6-65.4-96.4000109.4P123 W125 V163 S164 F166 L179 R217P123-Y219 HydrophobicContact CB-CE1 4.37Å; P123-Y219 HydrophobicContact CG-CE1 4.21Å; W125-Y219 HydrophobicContact CB-CD1 3.88Å; W125-Y219 HydrophobicContact CB-CD2 4.5Å; W125-Y219 HydrophobicContact CB-CE1 3.58Å; W125-Y219 HydrophobicContact CB-CE2 4.23Å; W125-Y219 HydrophobicContact CB-CG 4.34Å; W125-Y219 HydrophobicContact CD2-CE1 4.36Å; W125-Y219 HydrophobicContact CE3-CE1 4.04Å; W125-Y219 HydrophobicContact CG-CE1 4.22Å; V163-Y219 WeakPolarHBondContact CA-O 3.07Å; S164-Y219 PolarHBondContact N-O 3.28Å; S164-Y219 PolarHBondContact O-N 2.86Å; F166-Y219 AromaticContact CD2-CD2 3.53Å; F166-Y219 HydrophobicContact CD2-CD2 3.53Å; F166-Y219 AromaticContact CD2-CE2 3.78Å; F166-Y219 HydrophobicContact CD2-CE2 3.78Å; F166-Y219 AromaticContact CE2-CD2 3.55Å; F166-Y219 HydrophobicContact CE2-CD2 3.55Å; F166-Y219 HydrophobicContact CE2-CE2 4.05Å; F166-Y219 HydrophobicContact CE2-CG 4.4Å; L179-Y219 HydrophobicContact CD1-CE2 3.98Å; L179-Y219 WeakPolarHBondContact CD1-OH 3.36Å; R217-Y219 HydrophobicContact CB-CE2 4.11Å
220V94.1Very high86.9Confident0 Ų053.5 Ų53.50%027%0.268CS..EExtended strand (participates in β ladder)trans-124.3129.1171.3-173.20000108.4L161 H162 V163 L218 V228 P230 A233 L235L161-V220 HydrophobicContact CB-CG1 4.16Å; L161-V220 HydrophobicContact CD1-CG1 4.36Å; L161-V220 HydrophobicContact CD2-CG1 4.2Å; L161-V220 HydrophobicContact CG-CG1 4.48Å; H162-V220 CarbonylContact O-C 3.56Å; H162-V220 WeakPolarHBondContact O-CA 3.25Å; V163-V220 HydrophobicContact CG2-CG1 4.43Å; V163-V220 HydrophobicContact CG2-CG2 4.24Å; L218-V220 HydrophobicContact CD2-CG2 3.64Å; V220-V228 HydrophobicContact CB-CB 4.29Å; V220-V228 HydrophobicContact CG1-CB 4.14Å; V220-V228 PolarHBondContact O-N 2.99Å; V220-P230 HydrophobicContact CG2-CB 4.14Å; V220-P230 HydrophobicContact CG2-CG 4.11Å; V220-A233 HydrophobicContact CB-CB 4.4Å; V220-A233 HydrophobicContact CG1-CB 3.9Å; V220-A233 HydrophobicContact CG2-CB 4.25Å; V220-L235 HydrophobicContact CG2-CD1 3.58Å
221E94.6Very high88.1Confident78 Ų7850.1 Ų50.136%0.36427%0.267SS..EExtended strand (participates in β ladder)trans-127.3146.6177.7-66.4174.2171.700109.7L161 H162 H226L161-E221 CarbonylContact C-O 3.53Å; L161-E221 WeakPolarHBondContact CA-O 3.47Å; H162-E221 HydrophobicContact CB-CB 4.48Å; H162-E221 PolarHBondContact N-O 3.02Å; H162-E221 PolarHBondContact O-N 3.41Å; E221-H226 CarbonylContact C-O 3.59Å; E221-H226 VanDerWaalsContact CA-O 3.27Å; E221-H226 WeakPolarHBondContact CA-O 3.3Å
222T92.7Very high89.2Confident5 Ų546 Ų463%0.03125%0.25CS..EExtended strand (participates in β ladder)trans-77.5166167.563.10000110.7L161 D224 G225 H226 V228L161-T222 HydrophobicContact CD2-CG2 4.35Å; T222-D224 PolarHBondContact O-N 2.82Å; T222-D224 PolarHBondContact OG1-N 2.99Å; T222-G225 PolarHBondContact O-N 3.41Å; T222-H226 PolarHBondContact N-O 2.91Å; T222-H226 PolarHBondContact OG1-N 3.32Å; T222-V228 HydrophobicContact CG2-CG2 3.52Å
223E90.9Very high90.2Very high135 Ų13539.7 Ų39.763%0.63122%0.223SC*.THydrogen-bonded Turntrans-51.4-28.8169.6-169.917217300113.7T160 G225T160-E223 PolarHBondContact O-N 3.39Å; T160-E223 PolarHBondContact OG1-OE2 3.1Å; E223-G225 VanDerWaalsContact C-N 3.27Å; E223-G225 PolarHBondContact O-N 3.05Å
224D89.8Confident90.8Very high100 Ų10036.2 Ų36.254%0.53521%0.206SC..THydrogen-bonded Turntrans-82.13.2177.4-52.3-53.7000113.7R159 T222 H226R159-D224 IonicContact CZ-OD2 3.34Å; R159-D224 IonicContact NH1-OD2 2.74Å; R159-D224 PolarHBondContact NH1-OD2 2.84Å; R159-D224 IonicContact NH2-OD2 3.65Å; T222-D224 PolarHBondContact O-N 2.82Å; T222-D224 PolarHBondContact OG1-N 2.99Å; D224-H226 VanDerWaalsContact C-N 3.35Å; D224-H226 WeakPolarHBondContact CB-ND1 3.39Å; D224-H226 PolarHBondContact O-N 3.39Å; D224-H226 PolarHBondContact O-ND1 3.38Å
225G87.9Confident91.2Very high51 Ų5136.3 Ų36.353%0.52621%0.206SC..SBendtrans79.45.5-178.400000115.9T222 E223T222-G225 PolarHBondContact O-N 3.41Å; E223-G225 VanDerWaalsContact C-N 3.27Å; E223-G225 PolarHBondContact O-N 3.05Å
226H89.7Confident91.3Very high117 Ų11737.7 Ų37.754%0.54221%0.211SC..  trans-75.7132.1176.8-62.882000111.5E221 T222 D224E221-H226 CarbonylContact C-O 3.59Å; E221-H226 VanDerWaalsContact CA-O 3.27Å; E221-H226 WeakPolarHBondContact CA-O 3.3Å; T222-H226 PolarHBondContact N-O 2.91Å; T222-H226 PolarHBondContact OG1-N 3.32Å; D224-H226 VanDerWaalsContact C-N 3.35Å; D224-H226 WeakPolarHBondContact CB-ND1 3.39Å; D224-H226 PolarHBondContact O-N 3.39Å; D224-H226 PolarHBondContact O-ND1 3.38Å
227S91.1Very high91Very high26 Ų2638 Ų3818%0.18222%0.215CC..EExtended strand (participates in β ladder)trans-69.7132.6174.3-172.70000110.7H124H124-S227 PolarHBondContact N-OG 3.42Å
228V90.4Very high90.5Very high15 Ų1540.9 Ų40.99%0.09123%0.229CC..EExtended strand (participates in β ladder)trans-118.6136.8179.5-176.60000108.7L156 V220 T222 P230 A233L156-V228 HydrophobicContact CD1-CG1 3.64Å; L156-V228 HydrophobicContact CD1-CG2 4.1Å; V220-V228 HydrophobicContact CB-CB 4.29Å; V220-V228 HydrophobicContact CG1-CB 4.14Å; V220-V228 PolarHBondContact O-N 2.99Å; T222-V228 HydrophobicContact CG2-CG2 3.52Å; V228-P230 WeakPolarHBondContact O-CD 3.12Å; V228-A233 HydrophobicContact CG1-CB 4.09Å
229D88.8Confident90Very high40 Ų4051.7 Ų51.721%0.21427%0.27CS..  trans-58124.5170.5176.4-98.2000110.6H124 G231 L232 A233H124-D229 HydrophobicContact CB-CB 4.46Å; D229-G231 PolarHBondContact O-N 3.46Å; D229-G231 VanDerWaalsContact O-N 3.16Å; D229-G231 WeakPolarHBondContact OD1-CA 3.45Å; D229-G231 PolarHBondContact OD1-N 2.92Å; D229-L232 HydrophobicContact CB-CB 4.14Å; D229-L232 HydrophobicContact CB-CD1 4Å; D229-L232 HydrophobicContact CB-CG 3.94Å; D229-L232 PolarHBondContact O-N 2.77Å; D229-L232 VanDerWaalsContact O-N 3.07Å; D229-L232 PolarHBondContact OD1-N 3.23Å; D229-A233 PolarHBondContact O-N 2.82Å
230P91.1Very high89.6Confident2 Ų251 Ų511%0.01327%0.27CS..THydrogen-bonded Turntrans-56.5-32.5-179.2-29.337000113.9K126 L218 V220 V228 A233 G234 L235K126-P230 HydrophobicContact CB-CB 4.2Å; K126-P230 HydrophobicContact CB-CG 4.01Å; K126-P230 HydrophobicContact CD-CB 4.31Å; L218-P230 HydrophobicContact CD2-CB 3.99Å; L218-P230 HydrophobicContact CD2-CG 4Å; V220-P230 HydrophobicContact CG2-CB 4.14Å; V220-P230 HydrophobicContact CG2-CG 4.11Å; V228-P230 WeakPolarHBondContact O-CD 3.12Å; P230-A233 PolarHBondContact O-N 2.95Å; P230-G234 PolarHBondContact O-N 2.92Å; P230-L235 HydrophobicContact CB-CB 4.46Å; P230-L235 HydrophobicContact CB-CD1 4.21Å; P230-L235 VanDerWaalsContact O-CB 3.28Å; P230-L235 WeakPolarHBondContact O-CB 3.49Å; P230-L235 PolarHBondContact O-N 2.8Å
231G88.6Confident89.4Confident37 Ų3755 Ų5538%0.38130%0.296SS..THydrogen-bonded Turntrans-68-44.2175.800000112.4D229 A233 G234D229-G231 PolarHBondContact O-N 3.46Å; D229-G231 VanDerWaalsContact O-N 3.16Å; D229-G231 WeakPolarHBondContact OD1-CA 3.45Å; D229-G231 PolarHBondContact OD1-N 2.92Å; G231-A233 VanDerWaalsContact C-N 3.29Å; G231-A233 PolarHBondContact O-N 3.35Å; G231-G234 WeakPolarHBondContact O-CA 3.35Å; G231-G234 PolarHBondContact O-N 3.34Å
232L89.2Confident89.1Confident89 Ų8958 Ų5847%0.46630%0.304SS..THydrogen-bonded Turntrans-66.6-30.9174-63.5-178000112.8D229 G234D229-L232 HydrophobicContact CB-CB 4.14Å; D229-L232 HydrophobicContact CB-CD1 4Å; D229-L232 HydrophobicContact CB-CG 3.94Å; D229-L232 PolarHBondContact O-N 2.77Å; D229-L232 VanDerWaalsContact O-N 3.07Å; D229-L232 PolarHBondContact OD1-N 3.23Å; L232-G234 PolarHBondContact O-N 2.98Å
233A91.5Very high89Confident1 Ų160.2 Ų60.21%0.00832%0.32CS..THydrogen-bonded Turntrans-69.2-2.7169.200000113.1K150 S153 L161 V220 V228 D229 P230 G231K150-A233 VanDerWaalsContact CD-O 3.25Å; K150-A233 WeakPolarHBondContact CD-O 3.35Å; K150-A233 WeakPolarHBondContact CE-O 3.49Å; K150-A233 PolarHBondContact NZ-O 3.16Å; S153-A233 PolarHBondContact OG-O 3.39Å; L161-A233 HydrophobicContact CD1-CB 4.05Å; V220-A233 HydrophobicContact CB-CB 4.4Å; V220-A233 HydrophobicContact CG1-CB 3.9Å; V220-A233 HydrophobicContact CG2-CB 4.25Å; V228-A233 HydrophobicContact CG1-CB 4.09Å; D229-A233 PolarHBondContact O-N 2.82Å; P230-A233 PolarHBondContact O-N 2.95Å; G231-A233 VanDerWaalsContact C-N 3.29Å; G231-A233 PolarHBondContact O-N 3.35Å
234G91.7Very high89Confident4 Ų458 Ų584%0.04131%0.305CS..THydrogen-bonded Turntrans80.516.7177.300000114.2K150 V151 P230 G231 L232K150-G234 CarbonylContact C-O 3.56Å; K150-G234 WeakPolarHBondContact CA-O 3.43Å; V151-G234 WeakPolarHBondContact CG2-O 3.44Å; V151-G234 PolarHBondContact N-O 2.8Å; P230-G234 PolarHBondContact O-N 2.92Å; G231-G234 WeakPolarHBondContact O-CA 3.35Å; G231-G234 PolarHBondContact O-N 3.34Å; L232-G234 PolarHBondContact O-N 2.98Å
235L92.9Very high89.1Confident5 Ų555.5 Ų55.53%0.02629%0.291CS..BIsolated β-bridgetrans-83.2116.9174.8-62.3173.6000110.3I148 K150 V163 L195 L218 V220 P230I148-L235 HydrophobicContact CD1-CB 3.9Å; I148-L235 HydrophobicContact CG1-CB 4.45Å; I148-L235 HydrophobicContact CG2-CD2 4.25Å; K150-L235 HydrophobicContact CB-CD2 4.17Å; K150-L235 HydrophobicContact CD-CD2 3.81Å; K150-L235 HydrophobicContact CD-CG 4.38Å; V163-L235 HydrophobicContact CG1-CD1 4.35Å; V163-L235 HydrophobicContact CG2-CD1 4.4Å; L195-L235 HydrophobicContact CD2-CD2 4.32Å; L218-L235 HydrophobicContact CD1-CD1 4.09Å; L218-L235 HydrophobicContact CD2-CD1 3.48Å; L218-L235 VanDerWaalsContact CD2-CD1 3.48Å; L218-L235 HydrophobicContact CG-CD1 4.44Å; V220-L235 HydrophobicContact CG2-CD1 3.58Å; P230-L235 HydrophobicContact CB-CB 4.46Å; P230-L235 HydrophobicContact CB-CD1 4.21Å; P230-L235 VanDerWaalsContact O-CB 3.28Å; P230-L235 WeakPolarHBondContact O-CB 3.49Å; P230-L235 PolarHBondContact O-N 2.8Å
236L91.1Very high89.4Confident37 Ų3753.3 Ų53.319%0.19427%0.267CS..  trans-81.9124.8-173.8-64.8-168.5000111.9I148 Y149 V151 A240 R244I148-L236 WeakPolarHBondContact CD1-O 3.25Å; I148-L236 VanDerWaalsContact CG1-O 3.3Å; I148-L236 WeakPolarHBondContact CG1-O 3.37Å; Y149-L236 HydrophobicContact CD1-CD1 3.71Å; Y149-L236 HydrophobicContact CD1-CG 4.4Å; Y149-L236 HydrophobicContact CG-CD1 4.37Å; Y149-L236 WeakPolarHBondContact O-CB 3.48Å; Y149-L236 PolarHBondContact O-N 2.9Å; V151-L236 HydrophobicContact CG1-CD1 3.95Å; V151-L236 HydrophobicContact CG1-CD2 4.46Å; V151-L236 HydrophobicContact CG1-CG 4.28Å; V151-L236 HydrophobicContact CG2-CD2 4.06Å; V151-L236 HydrophobicContact CG2-CG 4.49Å; L236-A240 HydrophobicContact CB-CB 3.77Å; L236-A240 HydrophobicContact CD1-CB 4.07Å; L236-A240 HydrophobicContact CG-CB 4.35Å; L236-R244 HydrophobicContact CD1-CB 3.93Å
237G86.4Confident89.6Confident7 Ų747.7 Ų47.77%0.07224%0.241CC..  trans-96.5-151.3174.600000114.3E113 R239 A240E113-G237 WeakPolarHBondContact OE1-CA 3.47Å; E113-G237 VanDerWaalsContact OE2-C 3.31Å; E113-G237 WeakPolarHBondContact OE2-CA 3.47Å; G237-R239 VanDerWaalsContact C-N 3.31Å; G237-R239 PolarHBondContact O-N 3.38Å; G237-A240 WeakPolarHBondContact O-CB 3.33Å; G237-A240 PolarHBondContact O-N 3.11Å
238Q80.8Confident89.7Confident81 Ų8146.5 Ų46.538%0.37923%0.233SC..THydrogen-bonded Turntrans-69.8-27.1-175.8-167.7177.538.400112.3N110 E113 A240 Q245N110-Q238 PolarHBondContact O-NE2 2.9Å; E113-Q238 HydrophobicContact CB-CB 3.93Å; E113-Q238 PolarHBondContact OE1-N 3.47Å; E113-Q238 VanDerWaalsContact OE1-N 3.1Å; E113-Q238 WeakPolarHBondContact OE2-CB 3.36Å; E113-Q238 PolarHBondContact OE2-N 3.38Å; Q238-A240 PolarHBondContact O-N 2.93Å; Q238-Q245 PolarHBondContact O-NE2 3.31Å
239R82.6Confident89.8Confident226 Ų22645.8 Ų45.885%0.85323%0.228SC*.THydrogen-bonded Turntrans-72.9-9.7176.2-60.4-175.9-171.8-179.64.3113.4G237G237-R239 VanDerWaalsContact C-N 3.31Å; G237-R239 PolarHBondContact O-N 3.38Å
240A85.9Confident90Very high16 Ų1643.9 Ų43.913%0.13222%0.218CC..SBendtrans-69.2162.9177.300000112.2L236 G237 Q238 Q245L236-A240 HydrophobicContact CB-CB 3.77Å; L236-A240 HydrophobicContact CD1-CB 4.07Å; L236-A240 HydrophobicContact CG-CB 4.35Å; G237-A240 WeakPolarHBondContact O-CB 3.33Å; G237-A240 PolarHBondContact O-N 3.11Å; Q238-A240 PolarHBondContact O-N 2.93Å; A240-Q245 PolarHBondContact O-NE2 3.22Å
241P89.4Confident90Very high83 Ų8344.2 Ų44.254%0.53922%0.219SC..  trans-51.7142.4169.3-2534.5000111.1S243 R244 Q245P241-S243 PolarHBondContact O-N 3.05Å; P241-R244 PolarHBondContact O-N 3.36Å; P241-Q245 PolarHBondContact O-N 2.58Å
242R87.7Confident90Very high142 Ų14242.4 Ų42.454%0.53620%0.201SC..G310 helixtrans-54.4-29.6-174.7-57.7-172.199.3-172.79.8113.7A71 S72 R244A71-R242 CarbonylContact C-O 3.31Å; A71-R242 WeakPolarHBondContact CA-O 3.46Å; A71-R242 HydrophobicContact CB-CB 4.23Å; S72-R242 PolarHBondContact N-O 2.97Å; R242-R244 VanDerWaalsContact C-N 3.25Å; R242-R244 PolarHBondContact O-N 2.69Å
243S90.6Very high89.8Confident51 Ų5142.9 Ų42.936%0.35720%0.197SC..G310 helixtrans-71.7-12.3176.854.70000114.6S72 P241S72-S243 WeakPolarHBondContact CB-O 3.37Å; P241-S243 PolarHBondContact O-N 3.05Å
244R92.3Very high88.9Confident87 Ų8745 Ų4533%0.32821%0.214SC..G310 helixtrans-124.58.8-177.8-62.3-176.8-178.2-163.4-4.7113.5Y149 E192 L236 P241 R242Y149-R244 HydrophobicContact CD1-CB 4.36Å; Y149-R244 HydrophobicContact CD1-CG 4.2Å; Y149-R244 HydrophobicContact CD2-CG 4.31Å; Y149-R244 HydrophobicContact CE1-CG 4.45Å; Y149-R244 HydrophobicContact CG-CB 4.07Å; Y149-R244 HydrophobicContact CG-CG 4.1Å; E192-R244 IonicContact OE1-NH1 3.93Å; L236-R244 HydrophobicContact CD1-CB 3.93Å; P241-R244 PolarHBondContact O-N 3.36Å; R242-R244 VanDerWaalsContact C-N 3.25Å; R242-R244 PolarHBondContact O-N 2.69Å
245Q91.7Very high87.3Confident49 Ų4946.8 Ų46.823%0.22923%0.226CC..  trans-70.8148177.5-76.8176.2-17.700111.3S72 Q238 A240 P241S72-Q245 VanDerWaalsContact CB-O 3.29Å; S72-Q245 WeakPolarHBondContact CB-O 3.4Å; S72-Q245 PolarHBondContact OG-O 3.23Å; Q238-Q245 PolarHBondContact O-NE2 3.31Å; A240-Q245 PolarHBondContact O-NE2 3.22Å; P241-Q245 PolarHBondContact O-N 2.58Å
246P93.8Very high85.2Confident4 Ų453.1 Ų53.13%0.02627%0.267CS..  trans-71.414818028.8-34000112.2N110 F128 F146 R147 I148N110-P246 HydrophobicContact CB-CG 4.49Å; F128-P246 HydrophobicContact CD1-CG 4.03Å; F128-P246 HydrophobicContact CE1-CB 4.24Å; F128-P246 HydrophobicContact CE1-CG 3.7Å; F146-P246 HydrophobicContact CE2-CB 4.19Å; F146-P246 HydrophobicContact CZ-CB 4.02Å; R147-P246 WeakPolarHBondContact O-CA 3.45Å; R147-P246 WeakPolarHBondContact O-CB 3.39Å; I148-P246 HydrophobicContact CB-CB 4.29Å; I148-P246 HydrophobicContact CG1-CB 4.26Å
247F93.8Very high82.8Confident0 Ų055 Ų550%028%0.283CS..EExtended strand (participates in β ladder)trans-152.7160.2178.465.3-83.2000110.8S72 A73 F76 F108 R147 W194S72-F247 WeakPolarHBondContact OG-CD1 3.43Å; A73-F247 HydrophobicContact CB-CB 4.05Å; A73-F247 HydrophobicContact CB-CD1 4.38Å; A73-F247 HydrophobicContact CB-CD2 3.95Å; A73-F247 HydrophobicContact CB-CE2 4.49Å; A73-F247 HydrophobicContact CB-CG 3.88Å; F76-F247 HydrophobicContact CB-CE2 4.11Å; F76-F247 HydrophobicContact CB-CZ 3.62Å; F76-F247 AromaticContact CD1-CE2 3.66Å; F76-F247 HydrophobicContact CD1-CE2 3.66Å; F76-F247 AromaticContact CD1-CZ 3.95Å; F76-F247 HydrophobicContact CD1-CZ 3.95Å; F76-F247 HydrophobicContact CE1-CE2 4.36Å; F76-F247 AromaticContact CG-CE2 3.97Å; F76-F247 HydrophobicContact CG-CE2 3.97Å; F76-F247 AromaticContact CG-CZ 3.75Å; F76-F247 HydrophobicContact CG-CZ 3.75Å; F108-F247 WeakPolarHBondContact O-CA 3.38Å; F108-F247 WeakPolarHBondContact O-CB 3.33Å; R147-F247 HydrophobicContact CB-CD1 4.3Å; R147-F247 HydrophobicContact CB-CE1 3.95Å; R147-F247 HydrophobicContact CB-CE2 4.32Å; R147-F247 HydrophobicContact CB-CZ 3.98Å; R147-F247 VanDerWaalsContact CD-CZ 3.45Å; R147-F247 HydrophobicContact CG-CE2 4.47Å; R147-F247 HydrophobicContact CG-CZ 4.32Å; R147-F247 PolarHBondContact N-O 2.67Å; R147-F247 PolarHBondContact O-N 3.4Å; R147-F247 VanDerWaalsContact O-N 3.08Å; W194-F247 HydrophobicContact CH2-CD1 4.37Å; W194-F247 AromaticContact CH2-CE1 3.85Å; W194-F247 HydrophobicContact CH2-CE1 3.85Å; W194-F247 HydrophobicContact CZ2-CE1 4.45Å; W194-F247 HydrophobicContact CZ3-CD1 4.36Å; W194-F247 AromaticContact CZ3-CE1 3.9Å; W194-F247 HydrophobicContact CZ3-CE1 3.9Å
248V93.3Very high80.4Confident0 Ų060.3 Ų60.30%032%0.317CS..EExtended strand (participates in β ladder)trans-104.7137.2170.11720000108.6S107 F108 F130 E145 F146 L216 T250S107-V248 CarbonylContact C-O 3.57Å; S107-V248 VanDerWaalsContact CA-O 3.3Å; S107-V248 WeakPolarHBondContact CA-O 3.4Å; F108-V248 HydrophobicContact CB-CB 4.46Å; F108-V248 HydrophobicContact CD2-CG1 4.49Å; F108-V248 PolarHBondContact N-O 3.08Å; F108-V248 PolarHBondContact O-N 3.1Å; F130-V248 HydrophobicContact CD1-CB 4.3Å; F130-V248 HydrophobicContact CD1-CG2 4.03Å; F130-V248 HydrophobicContact CD2-CG2 3.82Å; F130-V248 HydrophobicContact CE1-CB 4.32Å; F130-V248 HydrophobicContact CE1-CG2 3.83Å; F130-V248 HydrophobicContact CE2-CG2 3.62Å; F130-V248 HydrophobicContact CG-CG2 4.03Å; F130-V248 HydrophobicContact CZ-CG2 3.63Å; E145-V248 CarbonylContact O-C 3.56Å; E145-V248 WeakPolarHBondContact O-CA 3.19Å; F146-V248 HydrophobicContact CB-CG2 4.27Å; F146-V248 HydrophobicContact CD2-CG2 3.82Å; L216-V248 HydrophobicContact CD1-CG2 4.23Å; V248-T250 HydrophobicContact CG1-CG2 3.96Å
249V93.8Very high78.5Confident0 Ų063.3 Ų63.30%033%0.334CS..EExtended strand (participates in β ladder)trans-112.3135.6164.158.60000109.4F76 M77 V105 M106 A144 E145 F251F76-V249 HydrophobicContact CE1-CB 4.01Å; F76-V249 HydrophobicContact CE1-CG1 3.93Å; F76-V249 HydrophobicContact CE1-CG2 3.92Å; F76-V249 HydrophobicContact CZ-CG1 4.32Å; M77-V249 HydrophobicContact SD-CG2 4.17Å; V105-V249 HydrophobicContact CG1-CG2 3.43Å; V105-V249 VanDerWaalsContact CG1-CG2 3.43Å; M106-V249 WeakPolarHBondContact O-CA 3.3Å; A144-V249 CarbonylContact C-O 3.56Å; A144-V249 WeakPolarHBondContact CA-O 3.45Å; E145-V249 HydrophobicContact CB-CG1 3.8Å; E145-V249 PolarHBondContact N-O 2.89Å; E145-V249 PolarHBondContact O-N 2.81Å; V249-F251 HydrophobicContact CG1-CE2 4.08Å; V249-F251 HydrophobicContact CG2-CE2 4.03Å; V249-F251 HydrophobicContact CG2-CZ 4.12Å
250T91.8Very high76.3Confident0 Ų063.3 Ų63.30%033%0.334CS..EExtended strand (participates in β ladder)trans-124.8133.1178500000110.2V105 M106 F108 A143 A144 W206 V248 F252V105-T250 WeakPolarHBondContact CA-O 3.46Å; M106-T250 PolarHBondContact N-O 2.97Å; M106-T250 PolarHBondContact O-N 2.93Å; M106-T250 PolarHBondContact O-OG1 3.37Å; F108-T250 HydrophobicContact CD2-CG2 4.29Å; F108-T250 HydrophobicContact CE2-CG2 3.94Å; F108-T250 VanDerWaalsContact CE2-OG1 3.25Å; F108-T250 WeakPolarHBondContact CE2-OG1 3.38Å; A143-T250 WeakPolarHBondContact O-CA 3.48Å; A144-T250 HydrophobicContact CB-CG2 3.83Å; W206-T250 HydrophobicContact CZ3-CG2 4.29Å; V248-T250 HydrophobicContact CG1-CG2 3.96Å; T250-F252 HydrophobicContact CG2-CZ 4.47Å; T250-F252 WeakPolarHBondContact O-CE2 3.2Å; T250-F252 WeakPolarHBondContact OG1-CE2 3.36Å; T250-F252 VanDerWaalsContact OG1-CZ 3.25Å; T250-F252 WeakPolarHBondContact OG1-CZ 3.29Å
251F91.3Very high73.8Confident9 Ų968 Ų684%0.03936%0.361CS..EExtended strand (participates in β ladder)trans-104128.5177.8-60.1-95.4000109.4L80 L99 A102 V105 T142 A143 V249L80-F251 HydrophobicContact CD2-CE1 4.19Å; L99-F251 HydrophobicContact CD1-CE1 4.11Å; L99-F251 HydrophobicContact CD1-CZ 4.22Å; L99-F251 HydrophobicContact CG-CE1 4.18Å; A102-F251 HydrophobicContact CB-CB 4.13Å; A102-F251 HydrophobicContact CB-CD1 4.12Å; V105-F251 HydrophobicContact CB-CD1 4.43Å; V105-F251 HydrophobicContact CG1-CD1 3.97Å; V105-F251 HydrophobicContact CG1-CE1 3.97Å; V105-F251 HydrophobicContact CG1-CG 4.47Å; V105-F251 HydrophobicContact CG1-CZ 4.48Å; V105-F251 HydrophobicContact CG2-CD1 3.59Å; V105-F251 HydrophobicContact CG2-CE1 4.02Å; V105-F251 HydrophobicContact CG2-CG 4.47Å; T142-F251 PolarHBondContact N-O 3.25Å; T142-F251 PolarHBondContact OG1-O 2.78Å; A143-F251 HydrophobicContact CB-CB 4.23Å; A143-F251 HydrophobicContact CB-CD2 3.89Å; A143-F251 HydrophobicContact CB-CG 4.4Å; A143-F251 PolarHBondContact N-O 3.44Å; A143-F251 PolarHBondContact O-N 2.89Å; V249-F251 HydrophobicContact CG1-CE2 4.08Å; V249-F251 HydrophobicContact CG2-CE2 4.03Å; V249-F251 HydrophobicContact CG2-CZ 4.12Å
252F88.1Confident71.5Confident0 Ų070 Ų700%037%0.374CS..EExtended strand (participates in β ladder)trans-119.8153.9-177.5-56.3-92.9000111.5A102 D103 L104 M106 I135 E139 A140 V141 T250A102-F252 CarbonylContact C-O 3.49Å; A102-F252 VanDerWaalsContact CA-O 3.29Å; A102-F252 WeakPolarHBondContact CA-O 3.16Å; A102-F252 WeakPolarHBondContact CB-O 3.24Å; D103-F252 PolarHBondContact N-O 3.06Å; L104-F252 HydrophobicContact CB-CB 4.05Å; L104-F252 HydrophobicContact CB-CD2 4.46Å; L104-F252 HydrophobicContact CD2-CB 4.25Å; L104-F252 HydrophobicContact CD2-CD2 4Å; L104-F252 HydrophobicContact CD2-CG 4.21Å; L104-F252 HydrophobicContact CG-CB 4.35Å; L104-F252 HydrophobicContact CG-CD2 3.97Å; L104-F252 HydrophobicContact CG-CG 4.47Å; L104-F252 PolarHBondContact N-O 2.75Å; L104-F252 WeakPolarHBondContact O-CA 3.04Å; L104-F252 PolarHBondContact O-N 3.03Å; M106-F252 HydrophobicContact CB-CE2 3.89Å; M106-F252 HydrophobicContact CG-CD2 4.26Å; M106-F252 HydrophobicContact CG-CE2 3.69Å; M106-F252 HydrophobicContact SD-CE2 3.8Å; M106-F252 HydrophobicContact SD-CZ 4.18Å; I135-F252 HydrophobicContact CD1-CE1 4.05Å; I135-F252 HydrophobicContact CD1-CZ 3.86Å; I135-F252 HydrophobicContact CG1-CE1 4.2Å; I135-F252 HydrophobicContact CG1-CZ 3.86Å; I135-F252 HydrophobicContact CG2-CD1 4.34Å; I135-F252 HydrophobicContact CG2-CE1 3.52Å; I135-F252 HydrophobicContact CG2-CZ 3.98Å; E139-F252 HydrophobicContact CB-CB 4.17Å; E139-F252 HydrophobicContact CB-CD1 3.99Å; E139-F252 HydrophobicContact CB-CG 4.33Å; A140-F252 VanDerWaalsContact O-CA 3.29Å; A140-F252 WeakPolarHBondContact O-CA 3.39Å; V141-F252 HydrophobicContact CG2-CD1 3.91Å; V141-F252 HydrophobicContact CG2-CE1 3.51Å; V141-F252 HydrophobicContact CG2-CZ 4.42Å; T250-F252 HydrophobicContact CG2-CZ 4.47Å; T250-F252 WeakPolarHBondContact O-CE2 3.2Å; T250-F252 WeakPolarHBondContact OG1-CE2 3.36Å; T250-F252 VanDerWaalsContact OG1-CZ 3.25Å; T250-F252 WeakPolarHBondContact OG1-CZ 3.29Å
253R85.4Confident69.2Low99 Ų9973.9 Ų73.937%0.37439%0.389SS..EExtended strand (participates in β ladder)trans-127135.9168.4-169.9172.8-175.5-173.8-2.8108.9R101 E139 A140 T142 S255R101-R253 VanDerWaalsContact NE-NH1 3.18Å; E139-R253 VanDerWaalsContact OE2-C 3.22Å; A140-R253 PolarHBondContact N-O 2.85Å; A140-R253 PolarHBondContact O-N 3.5Å; T142-R253 HydrophobicContact CG2-CB 3.63Å; R253-S255 PolarHBondContact O-N 2.68Å; R253-S255 VanDerWaalsContact O-N 3.13Å
254A72Confident66.7Low44 Ų4475.9 Ų75.936%0.36441%0.409SS..EExtended strand (participates in β ladder)trans-57.2123.6173.800000108.1E139E139-A254 VanDerWaalsContact OE2-CA 3.29Å; E139-A254 WeakPolarHBondContact OE2-CA 3.43Å; E139-A254 PolarHBondContact OE2-N 3.28Å; E139-A254 VanDerWaalsContact OE2-N 3.12Å
255S59.8Low64.4Low42 Ų4278.2 Ų78.229%0.29443%0.432SS..  trans-54.6142167.561.60000107.9G138 R253 S257G138-S255 WeakPolarHBondContact O-CB 3.3Å; G138-S255 PolarHBondContact O-N 3.12Å; G138-S255 PolarHBondContact O-OG 3.19Å; R253-S255 PolarHBondContact O-N 2.68Å; R253-S255 VanDerWaalsContact O-N 3.13Å; S255-S257 PolarHBondContact O-N 3.13Å
256P48.6Very low61.9Low139 Ų13986.6 Ų86.690%0.90346%0.461SS*.  trans-70.163174.529.3-33.1000110
257S39.4Very low59.3Low75 Ų7592.1 Ų92.152%0.52450%0.498SS..  trans-85142.3160.562.40000107.5S255 I259S255-S257 PolarHBondContact O-N 3.13Å; S257-I259 PolarHBondContact O-N 2.9Å
258P37.5Very low56.7Low120 Ų12099.5 Ų99.578%0.77954%0.536SS*.  trans-61.2119.5-170.622.6-30.9000109.3R260P258-R260 PolarHBondContact O-N 3.4Å
259I39.2Very low54.1Low143 Ų143111.1 Ų111.173%0.73358%0.58SS**  trans-43.1111168.5-63166.9000106.4S257 T261S257-I259 PolarHBondContact O-N 2.9Å; I259-T261 PolarHBondContact O-N 3.23Å
260R36.5Very low51.4Low227 Ų227122.8 Ų122.886%0.85762%0.624SS**  trans-57.9113.3169-79.5-175172.4173.80.8105.4P258P258-R260 PolarHBondContact O-N 3.4Å
261T35Very low48.9Very low115 Ų115134.4 Ų134.471%0.70667%0.668SS**PPolyproline II helixtrans-48.2133.2167.844.50000107.3I259 R263I259-T261 PolarHBondContact O-N 3.23Å; T261-R263 PolarHBondContact O-N 3.48Å
262P40.4Very low46.3Very low124 Ų124142.8 Ų142.881%0.80571%0.707SS**PPolyproline II helixtrans-54.611717321.1-29.7000106.7A264P262-A264 PolarHBondContact O-N 2.65Å; P262-A264 VanDerWaalsContact O-N 3.09Å
263R38.4Very low44Very low223 Ų223148.5 Ų148.584%0.84274%0.744SS**PPolyproline II helixtrans-57.2121.6175-81.5179.6178168.1-1106.3T261 V265T261-R263 PolarHBondContact O-N 3.48Å; R263-V265 PolarHBondContact O-N 2.86Å
264A39.4Very low41.5Very low94 Ų94153.7 Ų153.778%0.77777%0.77SS**PPolyproline II helixtrans-48.6116.9167.200000107.7P262 R266P262-A264 PolarHBondContact O-N 2.65Å; P262-A264 VanDerWaalsContact O-N 3.09Å; A264-R266 PolarHBondContact O-N 2.64Å
265V42.3Very low39.7Very low136 Ų136161.3 Ų161.382%0.82479%0.794SS**PPolyproline II helixtrans-55.3117.2176.4176.40000106.4R263R263-V265 PolarHBondContact O-N 2.86Å
266R40.6Very low38.5Very low224 Ų224166 Ų16685%0.84582%0.822SS**PPolyproline II helixtrans-55.1127.6174-81.6-178.1167.7-176.9-3.5107.5A264 L268A264-R266 PolarHBondContact O-N 2.64Å; R266-L268 PolarHBondContact O-N 2.93Å; R266-L268 VanDerWaalsContact O-N 3.14Å
267P37.8Very low37.8Very low121 Ų121166.9 Ų166.979%0.78682%0.819SS**PPolyproline II helixtrans-55.9125.9177.5-21.230.7000108.8R269P267-R269 PolarHBondContact O-N 3.23Å
268L39.4Very low37.6Very low154 Ų154172.8 Ų172.881%0.80684%0.838SS**PPolyproline II helixtrans-55.5116.4167.5-13591000106.2R266 R270R266-L268 PolarHBondContact O-N 2.93Å; R266-L268 VanDerWaalsContact O-N 3.14Å; L268-R270 PolarHBondContact O-N 2.8Å
269R38.4Very low37.6Very low245 Ų245175.3 Ų175.393%0.92584%0.844SS**  trans-52.1102.4179.3-97.9-172.9165.1-172.2-3.5109.2P267 R271P267-R269 PolarHBondContact O-N 3.23Å; R269-R271 PolarHBondContact O-N 2.85Å; R269-R271 VanDerWaalsContact O-N 3.1Å
270R38.7Very low37.8Very low245 Ų245173.9 Ų173.993%0.92584%0.844SS**  trans-59.6111.4165.7-107.3179169.8175.9-2.8106.8L268 Q272L268-R270 PolarHBondContact O-N 2.8Å; R270-Q272 PolarHBondContact O-N 2.79Å
271R39.1Very low37.7Very low244 Ų244172.4 Ų172.492%0.92185%0.847SS**PPolyproline II helixtrans-62.7119.2165.6-81.9-177.3171-173.3-3.1107.2R269R269-R271 PolarHBondContact O-N 2.85Å; R269-R271 VanDerWaalsContact O-N 3.1Å
272Q36.1Very low37.5Very low184 Ų184171.5 Ų171.586%0.8685%0.851SS**PPolyproline II helixtrans-62.7132.2173.1-74-169.6-8.300109.5R270R270-Q272 PolarHBondContact O-N 2.79Å
273P38.9Very low37.5Very low120 Ų120173.5 Ų173.578%0.77986%0.855SS**PPolyproline II helixtrans-71.5136.4164.316.6-8.2000109.6K275P273-K275 PolarHBondContact O-N 2.92Å
274K33.9Very low37.1Very low209 Ų209174.8 Ų174.891%0.90986%0.86SS**PPolyproline II helixtrans-57.2125.8174.7-79.3177171.2-179.20110
275K34.5Very low36.9Very low203 Ų203178.3 Ų178.388%0.88387%0.865SS**PPolyproline II helixtrans-74.7122.8165.6-81.3-177.4172.4-177.20109.2P273P273-K275 PolarHBondContact O-N 2.92Å
276T33.3Very low36.8Very low141 Ų141177.5 Ų177.587%0.86586%0.862SS**PPolyproline II helixtrans-83.3139.3158.618.40000109.2
277N35.9Very low36.4Very low158 Ų158170.6 Ų170.685%0.84586%0.861SS**PPolyproline II helixtrans-73127.4-178.1-70.6-25.6000111.3
278E33.3Very low36.6Very low198 Ų198172 Ų17293%0.92586%0.86SS**  trans-138.9144.3146.9-71.6-158155.700109.9
279L38.9Very low36.6Very low174 Ų174172.9 Ų172.991%0.91186%0.858SS**  trans-75.7165-165.6-81.9138.6000114
280P44Very low36.7Very low112 Ų112167.3 Ų167.373%0.72785%0.846SS**  trans-99.1150-161.236.5-30.7000113.2
281Q32.5Very low36.6Very low197 Ų197162 Ų16292%0.92184%0.836SS**  trans-156.3138.2152.1-119.7168.85.100116.3
282A31.9Very low36.9Very low95 Ų95155.6 Ų155.679%0.78582%0.824SS**  trans96106.3144.100000119.8
283N39.8Very low37.1Very low167 Ų167156 Ų15689%0.89383%0.826SS**  trans-38.4131.8165.3-57.7-26.6000115.1
284R31.5Very low37Very low250 Ų250153.7 Ų153.794%0.94382%0.823SS**  trans-143128.1142.2-76.1-164.5176.6164.7-0.7110.6
285L34.2Very low37.5Very low168 Ų168149.2 Ų149.288%0.8882%0.818SS**PPolyproline II helixtrans-70.2159.1173.5-77149.4000111.2
286P39.5Very low37.9Very low118 Ų118148.1 Ų148.177%0.76682%0.816SS**PPolyproline II helixtrans-86.7123.6-168.820.9-8.2000112.1
287G32.4Very low38.5Very low80 Ų80144.5 Ų144.583%0.82581%0.807SS**PPolyproline II helixtrans-89.4135.8168.700000111.2
288I42.2Very low39.7Very low149 Ų149145.3 Ų145.376%0.76480%0.798SS**PPolyproline II helixtrans-95.3123.8-171.1-84.5163.6000108.5
289F40.3Very low41.8Very low174 Ų174140.5 Ų140.576%0.76378%0.775SS**  trans74.5126.7160.8-73-103.7000121.9
290D39.6Very low44Very low128 Ų128135.5 Ų135.568%0.68475%0.752SS**  trans66.1138.2145.7-56.8-21.8000119.3
291D36.9Very low46.1Very low134 Ų134130.7 Ų130.772%0.71772%0.721SS**  cis-161.2153.826.3-123.6-36.4000110.8
292V45.4Very low48.8Very low108 Ų108127.6 Ų127.666%0.65570%0.701SS**  trans23.1113.7150.1-1800000117.7
293H40.3Very low51.7Low194 Ų194128.4 Ų128.490%0.89868%0.684SS**  -177.283.7124.2-94.586.8000109
294G37Very low54.2Low70 Ų70121.6 Ų121.672%0.72265%0.646SS**  trans-138.974.7172.800000109.8H296G294-H296 PolarHBondContact O-N 2.93Å
295S44.2Very low57.2Low115 Ų115118 Ų11880%0.80464%0.64SS**  trans-70.357176.462.60000112.6
296H43.8Very low60Low180 Ų180113.6 Ų113.683%0.83362%0.617SS**SBendtrans-126.777.3152.6-75.1-61.9000105.9G294 R298G294-H296 PolarHBondContact O-N 2.93Å; H296-R298 PolarHBondContact O-N 2.97Å
297G46.1Very low62.5Low66 Ų66114.2 Ų114.268%0.6861%0.605SS**  trans-52.4105.6-172.500000111.8Q299G297-Q299 PolarHBondContact O-N 3.49Å
298R60.4Low65.3Low174 Ų174111.9 Ų111.966%0.65758%0.575SS**  trans-59.2107.9167.6-82.4167.7166.3-163.910.5107H296 V300 E333H296-R298 PolarHBondContact O-N 2.97Å; R298-V300 PolarHBondContact O-N 2.87Å; R298-E333 HydrophobicContact CB-CG 4.42Å; R298-E333 VanDerWaalsContact CD-CD 3.47Å; R298-E333 WeakPolarHBondContact CD-OE1 3.4Å; R298-E333 WeakPolarHBondContact CD-OE2 3.4Å; R298-E333 WeakPolarHBondContact CG-OE1 3.5Å; R298-E333 IonicContact CZ-OE1 3.4Å; R298-E333 IonicContact CZ-OE2 3.91Å; R298-E333 IonicContact NE-OE1 3.11Å; R298-E333 PolarHBondContact NE-OE1 3.09Å; R298-E333 VanDerWaalsContact NE-OE1 3.11Å; R298-E333 IonicContact NE-OE2 3.89Å; R298-E333 IonicContact NH1-OE1 3.49Å; R298-E333 PolarHBondContact NH1-OE1 2.73Å; R298-E333 IonicContact NH1-OE2 3.28Å; R298-E333 PolarHBondContact NH1-OE2 2.65Å
299Q76.2Confident67.5Low97 Ų97105.7 Ų105.745%0.45355%0.545SS..  trans-68.3127.6-173.6-63-161.8-1.600109.3G297 R302 H304 G332 E333G297-Q299 PolarHBondContact O-N 3.49Å; Q299-R302 VanDerWaalsContact CD-NH2 3.29Å; Q299-H304 PolarHBondContact OE1-CE1 2.87Å; Q299-G332 CarbonylContact O-C 3.46Å; Q299-G332 WeakPolarHBondContact O-CA 3.42Å; Q299-E333 PolarHBondContact O-N 2.96Å
300V85.4Confident69.8Low69 Ų6997.6 Ų97.642%0.41851%0.51SS..BIsolated β-bridgetrans-59.5147.2173.21800000109.3R298 R302 M342R298-V300 PolarHBondContact O-N 2.87Å; V300-R302 PolarHBondContact O-N 2.81Å; V300-M342 HydrophobicContact CG1-CE 3.58Å; V300-M342 HydrophobicContact CG1-CG 3.78Å; V300-M342 HydrophobicContact CG1-SD 3.51Å; V300-M342 VanDerWaalsContact CG1-SD 3.51Å
301C89.4Confident72.1Confident12 Ų1297.9 Ų97.98%0.08151%0.507CS..SBendtrans-45.6114.2177.4176.70000111.9E333 M342 C367C301-E333 PolarHBondContact N-O 2.88Å; C301-E333 VanDerWaalsContact N-O 3.15Å; C301-M342 HydrophobicContact CB-SD 4.47Å; C301-C367 WeakPolarHBondContact CA-SG 3.3Å; C301-C367 HydrophobicContact CB-CB 3.69Å; C301-C367 WeakPolarHBondContact CB-SG 3.49Å; C301-C367 VanDerWaalsContact SG-CA 3.51Å; C301-C367 WeakPolarHBondContact SG-CB 3.36Å; C301-C367 CovalentContact SG-SG 2.04Å; C301-C367 PolarHBondContact SG-SG 2.83Å
302R89.2Confident74.4Confident131 Ų13197.9 Ų97.949%0.49451%0.507SS..EExtended strand (participates in β ladder)trans-148.5168.9-179.669-175.8-175153.75112Q299 V300 H304 E331Q299-R302 VanDerWaalsContact CD-NH2 3.29Å; V300-R302 PolarHBondContact O-N 2.81Å; R302-H304 WeakPolarHBondContact CG-NE2 3.49Å; R302-H304 PolarHBondContact O-CD2 2.95Å; R302-E331 PolarHBondContact N-O 2.87Å; R302-E331 PolarHBondContact O-N 2.82Å; R302-E331 VanDerWaalsContact O-N 3.15Å
303R92.3Very high76.1Confident112 Ų11295.3 Ų95.342%0.42349%0.489SS..EExtended strand (participates in β ladder)trans-81.3131.8173.2-173.9171.360.183.34.3109.6Y328 Y329 V396 K397 C399R303-Y328 HydrophobicContact CG-CD1 4.37Å; R303-Y328 HydrophobicContact CG-CG 4.25Å; R303-Y329 CarbonylContact C-O 3.46Å; R303-Y329 WeakPolarHBondContact CA-O 3.34Å; R303-V396 VanDerWaalsContact CD-O 3.24Å; R303-V396 WeakPolarHBondContact CD-O 3.49Å; R303-V396 HydrophobicContact CG-CG1 4.24Å; R303-K397 PolarHBondContact NE-O 3.41Å; R303-C399 VanDerWaalsContact CA-SG 3.52Å
304H92.8Very high78.2Confident25 Ų2587.7 Ų87.712%0.11646%0.463CS..EExtended strand (participates in β ladder)trans-116.3153.4178.3-63.2-96.8000110.7Q299 R302 Y328 Y329 E331Q299-H304 PolarHBondContact OE1-CE1 2.87Å; R302-H304 WeakPolarHBondContact CG-NE2 3.49Å; R302-H304 PolarHBondContact O-CD2 2.95Å; H304-Y328 WeakPolarHBondContact O-CA 3.29Å; H304-Y328 VanDerWaalsContact O-CB 3.28Å; H304-Y328 WeakPolarHBondContact O-CB 3.45Å; H304-Y328 WeakPolarHBondContact O-CD1 3.47Å; H304-Y329 HydrophobicContact CB-CD1 3.84Å; H304-Y329 HydrophobicContact CB-CE1 3.39Å; H304-Y329 HydrophobicContact CB-CE2 4.21Å; H304-Y329 HydrophobicContact CB-CG 4.42Å; H304-Y329 PolarHBondContact N-O 2.8Å; H304-Y329 PolarHBondContact O-N 3.38Å; H304-E331 PolarHBondContact CD2-O 2.83Å; H304-E331 PolarHBondContact NE2-O 3.35Å
305E93.9Very high80.6Confident173 Ų17384.4 Ų84.481%0.80843%0.429SS*.  trans-73.5131.7179.9-62.2-170.5162.500111.3Y328E305-Y328 HydrophobicContact CG-CD1 4.4Å; E305-Y328 HydrophobicContact CG-CE1 4.2Å
306L92.8Very high82.5Confident77 Ų7781.2 Ų81.240%0.40340%0.402SS..  trans-146.9118.9171.4170.866.9000107.7V308 S326 A327 Y328 Y329L306-V308 HydrophobicContact CG-CG2 4.49Å; L306-S326 CarbonylContact O-C 3.59Å; L306-S326 WeakPolarHBondContact O-CA 3.4Å; L306-A327 HydrophobicContact CD2-CB 4.25Å; L306-A327 HydrophobicContact CG-CB 4.41Å; L306-A327 PolarHBondContact O-N 3.37Å; L306-Y328 PolarHBondContact O-N 2.84Å; L306-Y328 VanDerWaalsContact O-N 3.14Å; L306-Y329 HydrophobicContact CB-CD1 3.77Å; L306-Y329 HydrophobicContact CB-CE1 4.38Å; L306-Y329 HydrophobicContact CD2-CD1 4.4Å
307Y92.3Very high84.4Confident130 Ų13074.8 Ų74.851%0.5137%0.374SS..EExtended strand (participates in β ladder)trans-103.1125.3172.7-173.5-101.3000109.5G324Y307-G324 VanDerWaalsContact OH-C 3.3Å; Y307-G324 VanDerWaalsContact OH-CA 3.23Å; Y307-G324 WeakPolarHBondContact OH-CA 3.48Å; Y307-G324 PolarHBondContact OH-N 3.07Å; Y307-G324 PolarHBondContact OH-O 2.92Å
308V90.1Very high86.3Confident32 Ų3271.7 Ų71.719%0.19434%0.342CS..EExtended strand (participates in β ladder)trans-97.6105.3175.2178.20000107.9L306 F310 L313 G324 Y325 A327L306-V308 HydrophobicContact CG-CG2 4.49Å; V308-F310 HydrophobicContact CG1-CE1 4.4Å; V308-L313 HydrophobicContact CG1-CD1 4.12Å; V308-G324 CarbonylContact O-C 3.57Å; V308-G324 WeakPolarHBondContact O-CA 3.36Å; V308-Y325 HydrophobicContact CB-CD1 4.15Å; V308-Y325 HydrophobicContact CB-CE1 3.73Å; V308-Y325 HydrophobicContact CG1-CE1 3.88Å; V308-Y325 HydrophobicContact CG2-CE1 4.28Å; V308-Y325 PolarHBondContact N-O 2.95Å; V308-Y325 PolarHBondContact O-N 3.47Å; V308-A327 HydrophobicContact CG2-CB 3.81Å
309S89.5Confident87.7Confident19 Ų1963.5 Ų63.513%0.13331%0.311CS..EExtended strand (participates in β ladder)trans-86.8124.2174.9174.70000110.6Q311 D312 L313S309-Q311 PolarHBondContact O-N 3.44Å; S309-Q311 WeakPolarHBondContact OG-CB 3.25Å; S309-Q311 PolarHBondContact OG-N 2.95Å; S309-D312 WeakPolarHBondContact CB-OD2 3.25Å; S309-D312 PolarHBondContact O-N 3.37Å; S309-D312 PolarHBondContact OG-N 2.94Å; S309-L313 PolarHBondContact O-N 3.11Å
310F89.1Confident88.4Confident4 Ų460.6 Ų60.62%0.01830%0.299CS..THydrogen-bonded Turntrans-73.4-15.8173-61.3-39.4000112.4V308 L313 G314 W315 L316 V319 P322 Q323 Y325 V377V308-F310 HydrophobicContact CG1-CE1 4.4Å; F310-L313 HydrophobicContact CD1-CD1 4.23Å; F310-G314 PolarHBondContact O-N 2.89Å; F310-W315 HydrophobicContact CB-CB 4.25Å; F310-W315 AromaticContact CD1-CE3 3.82Å; F310-W315 HydrophobicContact CD1-CE3 3.82Å; F310-W315 HydrophobicContact CD1-CZ3 4.33Å; F310-W315 HydrophobicContact CE1-CE3 4.22Å; F310-W315 HydrophobicContact CE1-CZ3 4.34Å; F310-W315 PolarHBondContact O-N 3.17Å; F310-L316 HydrophobicContact CB-CD2 3.96Å; F310-V319 HydrophobicContact CD2-CB 4.47Å; F310-V319 HydrophobicContact CD2-CG1 3.7Å; F310-V319 HydrophobicContact CE2-CG1 4.01Å; F310-V319 HydrophobicContact CG-CG1 4.48Å; F310-P322 WeakPolarHBondContact CD2-O 3.23Å; F310-P322 HydrophobicContact CE2-CG 4.01Å; F310-P322 WeakPolarHBondContact CE2-O 3.18Å; F310-Q323 WeakPolarHBondContact CB-O 3.44Å; F310-Q323 PolarHBondContact N-O 3.22Å; F310-Y325 HydrophobicContact CE1-CD1 4.27Å; F310-Y325 HydrophobicContact CE1-CE1 4.12Å; F310-Y325 AromaticContact CZ-CD1 3.89Å; F310-Y325 HydrophobicContact CZ-CD1 3.89Å; F310-Y325 HydrophobicContact CZ-CE1 4.08Å; F310-V377 HydrophobicContact CE2-CG1 4.47Å; F310-V377 HydrophobicContact CZ-CG2 4.23Å
311Q86.6Confident88.7Confident134 Ų13457.8 Ų57.863%0.62628%0.282SS*.THydrogen-bonded Turntrans-64.5-45.8168.6-166.7175.131.200111.5S309 L313 G314 L316S309-Q311 PolarHBondContact O-N 3.44Å; S309-Q311 WeakPolarHBondContact OG-CB 3.25Å; S309-Q311 PolarHBondContact OG-N 2.95Å; Q311-L313 VanDerWaalsContact C-N 3.27Å; Q311-L313 PolarHBondContact O-N 2.96Å; Q311-G314 WeakPolarHBondContact O-CA 2.99Å; Q311-G314 PolarHBondContact O-N 3.01Å; Q311-L316 HydrophobicContact CB-CD1 3.75Å; Q311-L316 HydrophobicContact CB-CG 4.23Å; Q311-L316 HydrophobicContact CG-CD1 3.76Å
312D85.4Confident88.9Confident134 Ų13458.2 Ų58.272%0.71729%0.285SS*.THydrogen-bonded Turntrans-69-29.5-177.6-62.8-17.3000111.9S309S309-D312 WeakPolarHBondContact CB-OD2 3.25Å; S309-D312 PolarHBondContact O-N 3.37Å; S309-D312 PolarHBondContact OG-N 2.94Å
313L82.4Confident88.9Confident53 Ų5357.2 Ų57.228%0.27729%0.286SS..THydrogen-bonded Turntrans-77.9-10.5171.3-60.2-179.3000112.7I48 V308 S309 F310 Q311 W315I48-L313 HydrophobicContact CD1-CD2 4.11Å; V308-L313 HydrophobicContact CG1-CD1 4.12Å; S309-L313 PolarHBondContact O-N 3.11Å; F310-L313 HydrophobicContact CD1-CD1 4.23Å; Q311-L313 VanDerWaalsContact C-N 3.27Å; Q311-L313 PolarHBondContact O-N 2.96Å; L313-W315 HydrophobicContact CB-CD2 3.77Å; L313-W315 HydrophobicContact CB-CE3 4.33Å; L313-W315 HydrophobicContact CB-CG 3.85Å; L313-W315 HydrophobicContact CD1-CD2 4.1Å; L313-W315 HydrophobicContact CD1-CE3 3.86Å; L313-W315 HydrophobicContact CD1-CH2 4.07Å; L313-W315 HydrophobicContact CD1-CZ2 4.23Å; L313-W315 HydrophobicContact CD1-CZ3 3.81Å; L313-W315 PolarHBondContact O-NE1 2.88Å
314G83.3Confident88.8Confident34 Ų3452.4 Ų52.435%0.35127%0.271SS..THydrogen-bonded Turntrans64.441.3-177.100000112.3R57 F310 Q311 D317R57-G314 PolarHBondContact NH1-O 3.15Å; R57-G314 PolarHBondContact NH2-O 3.24Å; F310-G314 PolarHBondContact O-N 2.89Å; Q311-G314 WeakPolarHBondContact O-CA 2.99Å; Q311-G314 PolarHBondContact O-N 3.01Å; G314-D317 VanDerWaalsContact O-OD1 3.09Å
315W87.5Confident88.8Confident1 Ų152.7 Ų52.70%0.00427%0.271CS..  trans-107.3-0.5-174.8-68.31.8000114.2I48 L49 L52 F310 L313 D317 W318 V319I48-W315 HydrophobicContact CB-CH2 3.95Å; I48-W315 HydrophobicContact CB-CZ2 4.32Å; I48-W315 HydrophobicContact CG2-CH2 3.35Å; I48-W315 HydrophobicContact CG2-CZ2 4.14Å; I48-W315 HydrophobicContact CG2-CZ3 4.08Å; L49-W315 HydrophobicContact CD2-CH2 4.08Å; L49-W315 HydrophobicContact CD2-CZ2 3.82Å; L49-W315 HydrophobicContact CG-CH2 4.43Å; L49-W315 HydrophobicContact CG-CZ2 4.03Å; L52-W315 HydrophobicContact CD1-CE3 4.38Å; L52-W315 HydrophobicContact CD1-CH2 3.74Å; L52-W315 HydrophobicContact CD1-CZ3 3.35Å; F310-W315 HydrophobicContact CB-CB 4.25Å; F310-W315 AromaticContact CD1-CE3 3.82Å; F310-W315 HydrophobicContact CD1-CE3 3.82Å; F310-W315 HydrophobicContact CD1-CZ3 4.33Å; F310-W315 HydrophobicContact CE1-CE3 4.22Å; F310-W315 HydrophobicContact CE1-CZ3 4.34Å; F310-W315 PolarHBondContact O-N 3.17Å; L313-W315 HydrophobicContact CB-CD2 3.77Å; L313-W315 HydrophobicContact CB-CE3 4.33Å; L313-W315 HydrophobicContact CB-CG 3.85Å; L313-W315 HydrophobicContact CD1-CD2 4.1Å; L313-W315 HydrophobicContact CD1-CE3 3.86Å; L313-W315 HydrophobicContact CD1-CH2 4.07Å; L313-W315 HydrophobicContact CD1-CZ2 4.23Å; L313-W315 HydrophobicContact CD1-CZ3 3.81Å; L313-W315 PolarHBondContact O-NE1 2.88Å; W315-D317 VanDerWaalsContact C-OD1 3.23Å; W315-D317 WeakPolarHBondContact CA-OD1 3.29Å; W315-D317 PolarHBondContact O-N 2.93Å; W315-W318 HydrophobicContact CB-CZ2 3.9Å; W315-W318 AromaticContact CD1-NE1 3.84Å; W315-W318 HydrophobicContact CD2-CH2 4.45Å; W315-W318 AromaticContact CD2-CZ2 3.53Å; W315-W318 HydrophobicContact CD2-CZ2 3.53Å; W315-W318 HydrophobicContact CE3-CH2 4.14Å; W315-W318 AromaticContact CE3-CZ2 3.65Å; W315-W318 HydrophobicContact CE3-CZ2 3.65Å; W315-W318 AromaticContact CG-CE2 3.9Å; W315-W318 AromaticContact CG-CZ2 3.67Å; W315-W318 HydrophobicContact CG-CZ2 3.67Å; W315-W318 AromaticContact CG-NE1 3.63Å; W315-W318 HydrophobicContact CZ3-CZ2 4.29Å; W315-W318 PolarHBondContact O-N 3.37Å; W315-W318 VanDerWaalsContact O-N 3.12Å; W315-V319 HydrophobicContact CB-CG2 4.01Å; W315-V319 WeakPolarHBondContact O-CB 3.29Å; W315-V319 PolarHBondContact O-N 3.33Å
316L84.3Confident88.7Confident48 Ų4846.9 Ų46.925%0.25125%0.25SC..THydrogen-bonded Turntrans-64.6-8.7178-58.3-172.1000114.2F310 Q311 W318F310-L316 HydrophobicContact CB-CD2 3.96Å; Q311-L316 HydrophobicContact CB-CD1 3.75Å; Q311-L316 HydrophobicContact CB-CG 4.23Å; Q311-L316 HydrophobicContact CG-CD1 3.76Å; L316-W318 VanDerWaalsContact C-N 3.34Å
317D83.3Confident88.7Confident45 Ų4543.6 Ų43.624%0.24123%0.233CC..THydrogen-bonded Turntrans-71.1-29.5173.356.5-48.9000112.7R57 A65 G314 W315R57-D317 IonicContact CZ-OD1 2.65Å; R57-D317 IonicContact CZ-OD2 3.56Å; R57-D317 IonicContact NE-OD1 3.01Å; R57-D317 IonicContact NE-OD2 3.77Å; R57-D317 PolarHBondContact NE-OD2 3.35Å; R57-D317 IonicContact NH2-OD1 3.55Å; R57-D317 PolarHBondContact NH2-OD1 3.27Å; R57-D317 IonicContact NH2-OD2 2.73Å; R57-D317 PolarHBondContact NH2-OD2 2.9Å; A65-D317 PolarHBondContact N-O 3.09Å; G314-D317 VanDerWaalsContact O-OD1 3.09Å; W315-D317 VanDerWaalsContact C-OD1 3.23Å; W315-D317 WeakPolarHBondContact CA-OD1 3.29Å; W315-D317 PolarHBondContact O-N 2.93Å
318W87.1Confident88.8Confident1 Ų140.4 Ų40.40%0.00422%0.221CC..THydrogen-bonded Turntrans-126-24.9-176.962.6-86.5000114L49 L54 P58 P60 W315 L316 Y379 Y380L49-W318 HydrophobicContact CD2-CZ2 4.31Å; L54-W318 HydrophobicContact CD1-CH2 3.42Å; L54-W318 VanDerWaalsContact CD1-CH2 3.42Å; L54-W318 HydrophobicContact CD1-CZ2 4.33Å; L54-W318 HydrophobicContact CD1-CZ3 3.59Å; P58-W318 HydrophobicContact CB-CB 4.32Å; P58-W318 HydrophobicContact CB-CD2 4.38Å; P58-W318 HydrophobicContact CB-CE3 4.34Å; P58-W318 HydrophobicContact CB-CG 4.34Å; P58-W318 HydrophobicContact CG-CD2 4.03Å; P58-W318 HydrophobicContact CG-CE3 3.7Å; P58-W318 HydrophobicContact CG-CG 4.5Å; P58-W318 HydrophobicContact CG-CZ3 4.19Å; P60-W318 HydrophobicContact CG-CB 3.77Å; W315-W318 HydrophobicContact CB-CZ2 3.9Å; W315-W318 AromaticContact CD1-NE1 3.84Å; W315-W318 HydrophobicContact CD2-CH2 4.45Å; W315-W318 AromaticContact CD2-CZ2 3.53Å; W315-W318 HydrophobicContact CD2-CZ2 3.53Å; W315-W318 HydrophobicContact CE3-CH2 4.14Å; W315-W318 AromaticContact CE3-CZ2 3.65Å; W315-W318 HydrophobicContact CE3-CZ2 3.65Å; W315-W318 AromaticContact CG-CE2 3.9Å; W315-W318 AromaticContact CG-CZ2 3.67Å; W315-W318 HydrophobicContact CG-CZ2 3.67Å; W315-W318 AromaticContact CG-NE1 3.63Å; W315-W318 HydrophobicContact CZ3-CZ2 4.29Å; W315-W318 PolarHBondContact O-N 3.37Å; W315-W318 VanDerWaalsContact O-N 3.12Å; L316-W318 VanDerWaalsContact C-N 3.34Å; W318-Y379 AromaticContact CE3-CD2 3.74Å; W318-Y379 HydrophobicContact CE3-CD2 3.74Å; W318-Y379 AromaticContact CE3-CG 3.84Å; W318-Y379 HydrophobicContact CE3-CG 3.84Å; W318-Y379 HydrophobicContact CZ3-CD1 4.27Å; W318-Y379 AromaticContact CZ3-CD2 3.66Å; W318-Y379 HydrophobicContact CZ3-CD2 3.66Å; W318-Y379 HydrophobicContact CZ3-CE2 4.39Å; W318-Y379 AromaticContact CZ3-CG 3.59Å; W318-Y379 HydrophobicContact CZ3-CG 3.59Å; W318-Y379 CarbonylContact O-C 3.58Å; W318-Y379 WeakPolarHBondContact O-CA 3.41Å; W318-Y379 WeakPolarHBondContact O-CB 3.37Å; W318-Y380 PolarHBondContact O-N 2.79Å
319V90Very high89Confident3 Ų343.1 Ų43.12%0.01823%0.229CC..EExtended strand (participates in β ladder)trans-79.7131.3173.3-179.80000110.2F310 W315 V377F310-V319 HydrophobicContact CD2-CB 4.47Å; F310-V319 HydrophobicContact CD2-CG1 3.7Å; F310-V319 HydrophobicContact CE2-CG1 4.01Å; F310-V319 HydrophobicContact CG-CG1 4.48Å; W315-V319 HydrophobicContact CB-CG2 4.01Å; W315-V319 WeakPolarHBondContact O-CB 3.29Å; W315-V319 PolarHBondContact O-N 3.33Å; V319-V377 HydrophobicContact CG1-CG1 4.09Å
320I90.4Very high89.2Confident36 Ų3643.3 Ų43.319%0.18523%0.23CC..EExtended strand (participates in β ladder)trans-95.1-48.7178.3-54.7176.1000109.9A65 L78 L378 Y380 V386A65-I320 HydrophobicContact CB-CG1 4.46Å; L78-I320 HydrophobicContact CD1-CG2 4.44Å; I320-L378 HydrophobicContact CB-CB 4.42Å; I320-L378 HydrophobicContact CB-CD2 3.95Å; I320-L378 HydrophobicContact CB-CG 3.99Å; I320-L378 HydrophobicContact CD1-CD2 4.38Å; I320-L378 HydrophobicContact CD1-CG 4.19Å; I320-L378 HydrophobicContact CG2-CD2 3.77Å; I320-L378 HydrophobicContact CG2-CG 4.38Å; I320-L378 PolarHBondContact N-O 3.03Å; I320-Y380 HydrophobicContact CD1-CD2 3.8Å; I320-Y380 HydrophobicContact CD1-CE1 4.28Å; I320-Y380 HydrophobicContact CD1-CE2 3.44Å; I320-Y380 VanDerWaalsContact CD1-CE2 3.44Å; I320-Y380 HydrophobicContact CD1-CG 4.35Å; I320-Y380 HydrophobicContact CG1-CD2 3.83Å; I320-Y380 HydrophobicContact CG1-CE2 3.65Å; I320-V386 HydrophobicContact CD1-CG1 3.75Å; I320-V386 HydrophobicContact CD1-CG2 4.16Å
321A91.9Very high89.3Confident9 Ų947.9 Ų47.97%0.07425%0.251CS..EExtended strand (participates in β ladder)trans-155.5152.9-18000000112.3L78 Y81 L378L78-A321 HydrophobicContact CD1-CB 4.22Å; Y81-A321 HydrophobicContact CD1-CB 3.88Å; Y81-A321 HydrophobicContact CE1-CB 3.65Å; Y81-A321 HydrophobicContact CG-CB 4.47Å; A321-L378 HydrophobicContact CB-CB 4.25Å; A321-L378 HydrophobicContact CB-CD2 4.45Å; A321-L378 PolarHBondContact N-O 2.91Å; A321-L378 VanDerWaalsContact N-O 3.16Å; A321-L378 PolarHBondContact O-N 2.85Å
322P92.5Very high89.4Confident22 Ų2242.8 Ų42.814%0.14323%0.234CC..  cis-69179-13.931.2-34.5000111Y81 F310 G324 S376Y81-P322 WeakPolarHBondContact OH-CB 3.16Å; Y81-P322 WeakPolarHBondContact OH-CD 3.32Å; F310-P322 WeakPolarHBondContact CD2-O 3.23Å; F310-P322 HydrophobicContact CE2-CG 4.01Å; F310-P322 WeakPolarHBondContact CE2-O 3.18Å; P322-G324 VanDerWaalsContact C-N 3.26Å; P322-G324 WeakPolarHBondContact CB-O 3.38Å; P322-S376 WeakPolarHBondContact CD-O 3.19Å
323Q90Very high89.4Confident110 Ų11039.2 Ų39.251%0.51421%0.213SC..SBendtrans-77.5-18170.3-65-64-38.800112.5F310F310-Q323 WeakPolarHBondContact CB-O 3.44Å; F310-Q323 PolarHBondContact N-O 3.22Å
324G90.5Very high89.6Confident10 Ų1037 Ų3710%0.10320%0.202CC..EExtended strand (participates in β ladder)trans174.1171177.200000109.6Y307 V308 P322Y307-G324 VanDerWaalsContact OH-C 3.3Å; Y307-G324 VanDerWaalsContact OH-CA 3.23Å; Y307-G324 WeakPolarHBondContact OH-CA 3.48Å; Y307-G324 PolarHBondContact OH-N 3.07Å; Y307-G324 PolarHBondContact OH-O 2.92Å; V308-G324 CarbonylContact O-C 3.57Å; V308-G324 WeakPolarHBondContact O-CA 3.36Å; P322-G324 VanDerWaalsContact C-N 3.26Å; P322-G324 WeakPolarHBondContact CB-O 3.38Å
325Y91.8Very high89.5Confident32 Ų3238.1 Ų38.113%0.12521%0.205CC..EExtended strand (participates in β ladder)trans-144.9153.1-177.472-80.2000111.7V308 F310 A327 T375 M394 V395V308-Y325 HydrophobicContact CB-CD1 4.15Å; V308-Y325 HydrophobicContact CB-CE1 3.73Å; V308-Y325 HydrophobicContact CG1-CE1 3.88Å; V308-Y325 HydrophobicContact CG2-CE1 4.28Å; V308-Y325 PolarHBondContact N-O 2.95Å; V308-Y325 PolarHBondContact O-N 3.47Å; F310-Y325 HydrophobicContact CE1-CD1 4.27Å; F310-Y325 HydrophobicContact CE1-CE1 4.12Å; F310-Y325 AromaticContact CZ-CD1 3.89Å; F310-Y325 HydrophobicContact CZ-CD1 3.89Å; F310-Y325 HydrophobicContact CZ-CE1 4.08Å; Y325-A327 HydrophobicContact CD2-CB 4.18Å; Y325-A327 HydrophobicContact CE2-CB 3.5Å; Y325-A327 PolarHBondContact O-N 2.92Å; Y325-T375 HydrophobicContact CD2-CG2 4.28Å; Y325-T375 HydrophobicContact CE2-CG2 4.35Å; Y325-T375 HydrophobicContact CG-CG2 4.48Å; Y325-M394 HydrophobicContact CE2-CB 4.39Å; Y325-M394 VanDerWaalsContact OH-CE 3.31Å; Y325-M394 WeakPolarHBondContact OH-CE 3.3Å; Y325-V395 HydrophobicContact CD2-CG2 3.72Å; Y325-V395 HydrophobicContact CE2-CG2 3.97Å
326S92.6Very high88.7Confident50 Ų5042.5 Ų42.535%0.3522%0.224SC..EExtended strand (participates in β ladder)trans-81.195.9175.7-55.70000109.7L306 Y328 V395L306-S326 CarbonylContact O-C 3.59Å; L306-S326 WeakPolarHBondContact O-CA 3.4Å; S326-Y328 VanDerWaalsContact CB-CE2 3.49Å; S326-Y328 VanDerWaalsContact O-CD2 3.28Å; S326-Y328 WeakPolarHBondContact O-CD2 3.09Å; S326-Y328 WeakPolarHBondContact O-CE2 3.34Å; S326-V395 WeakPolarHBondContact O-CG1 3.5Å
327A92.4Very high88.2Confident8 Ų844.9 Ų44.97%0.06624%0.242CC..  trans-73.3-38.3179.400000112.2L306 V308 Y325 V395 V396L306-A327 HydrophobicContact CD2-CB 4.25Å; L306-A327 HydrophobicContact CG-CB 4.41Å; L306-A327 PolarHBondContact O-N 3.37Å; V308-A327 HydrophobicContact CG2-CB 3.81Å; Y325-A327 HydrophobicContact CD2-CB 4.18Å; Y325-A327 HydrophobicContact CE2-CB 3.5Å; Y325-A327 PolarHBondContact O-N 2.92Å; A327-V395 WeakPolarHBondContact O-CA 3.46Å; A327-V396 PolarHBondContact O-N 3.45Å
328Y94.9Very high87.7Confident63 Ų6343.8 Ų43.825%0.24724%0.236CC..  trans57.4166.5-168-51-83.1000113.1R303 H304 E305 L306 S326 V395R303-Y328 HydrophobicContact CG-CD1 4.37Å; R303-Y328 HydrophobicContact CG-CG 4.25Å; H304-Y328 WeakPolarHBondContact O-CA 3.29Å; H304-Y328 VanDerWaalsContact O-CB 3.28Å; H304-Y328 WeakPolarHBondContact O-CB 3.45Å; H304-Y328 WeakPolarHBondContact O-CD1 3.47Å; E305-Y328 HydrophobicContact CG-CD1 4.4Å; E305-Y328 HydrophobicContact CG-CE1 4.2Å; L306-Y328 PolarHBondContact O-N 2.84Å; L306-Y328 VanDerWaalsContact O-N 3.14Å; S326-Y328 VanDerWaalsContact CB-CE2 3.49Å; S326-Y328 VanDerWaalsContact O-CD2 3.28Å; S326-Y328 WeakPolarHBondContact O-CD2 3.09Å; S326-Y328 WeakPolarHBondContact O-CE2 3.34Å; Y328-V395 HydrophobicContact CD2-CG1 4.1Å; Y328-V395 HydrophobicContact CE2-CG1 4.37Å
329Y94.2Very high86.5Confident90 Ų9045.2 Ų45.235%0.35325%0.251SS..EExtended strand (participates in β ladder)trans-150.6164.4172.872.6-75.8000111.4R303 H304 L306 E331R303-Y329 CarbonylContact C-O 3.46Å; R303-Y329 WeakPolarHBondContact CA-O 3.34Å; H304-Y329 HydrophobicContact CB-CD1 3.84Å; H304-Y329 HydrophobicContact CB-CE1 3.39Å; H304-Y329 HydrophobicContact CB-CE2 4.21Å; H304-Y329 HydrophobicContact CB-CG 4.42Å; H304-Y329 PolarHBondContact N-O 2.8Å; H304-Y329 PolarHBondContact O-N 3.38Å; L306-Y329 HydrophobicContact CB-CD1 3.77Å; L306-Y329 HydrophobicContact CB-CE1 4.38Å; L306-Y329 HydrophobicContact CD2-CD1 4.4Å; Y329-E331 HydrophobicContact CD2-CB 4.04Å; Y329-E331 HydrophobicContact CE2-CB 3.56Å; Y329-E331 HydrophobicContact CE2-CG 4.38Å; Y329-E331 WeakPolarHBondContact CE2-OE2 3.16Å; Y329-E331 PolarHBondContact OH-OE2 2.67Å
330C92.4Very high85.2Confident23 Ų2350.9 Ų50.916%0.15529%0.291CS..EExtended strand (participates in β ladder)trans-102129.5177.8-61.80000110.3A368 P369 C399C330-A368 VanDerWaalsContact SG-C 3.56Å; C330-P369 VanDerWaalsContact SG-CA 3.56Å; C330-P369 VanDerWaalsContact SG-N 3.42Å; C330-C399 WeakPolarHBondContact CA-SG 3.38Å; C330-C399 HydrophobicContact CB-CB 3.81Å; C330-C399 WeakPolarHBondContact CB-SG 3.36Å; C330-C399 VanDerWaalsContact SG-CA 3.56Å; C330-C399 WeakPolarHBondContact SG-CB 3.44Å; C330-C399 CovalentContact SG-SG 2.03Å; C330-C399 PolarHBondContact SG-SG 2.86Å
331E91.9Very high83.8Confident100 Ų10054.2 Ų54.247%0.46732%0.316SS..EExtended strand (participates in β ladder)trans-151.9147.2176.4169176.4-149.400109.9R302 H304 Y329R302-E331 PolarHBondContact N-O 2.87Å; R302-E331 PolarHBondContact O-N 2.82Å; R302-E331 VanDerWaalsContact O-N 3.15Å; H304-E331 PolarHBondContact CD2-O 2.83Å; H304-E331 PolarHBondContact NE2-O 3.35Å; Y329-E331 HydrophobicContact CD2-CB 4.04Å; Y329-E331 HydrophobicContact CE2-CB 3.56Å; Y329-E331 HydrophobicContact CE2-CG 4.38Å; Y329-E331 WeakPolarHBondContact CE2-OE2 3.16Å; Y329-E331 PolarHBondContact OH-OE2 2.67Å
332G88.4Confident82.7Confident27 Ų2754.3 Ų54.328%0.27832%0.315SS..SBendtrans139.1172.317700000112.3Q299Q299-G332 CarbonylContact O-C 3.46Å; Q299-G332 WeakPolarHBondContact O-CA 3.42Å
333E86.3Confident81.9Confident58 Ų5857.9 Ų57.927%0.27133%0.333SS..BIsolated β-bridgetrans-87.8139.9179.4-66.1-164.6-176.100111.8R298 Q299 C301R298-E333 HydrophobicContact CB-CG 4.42Å; R298-E333 VanDerWaalsContact CD-CD 3.47Å; R298-E333 WeakPolarHBondContact CD-OE1 3.4Å; R298-E333 WeakPolarHBondContact CD-OE2 3.4Å; R298-E333 WeakPolarHBondContact CG-OE1 3.5Å; R298-E333 IonicContact CZ-OE1 3.4Å; R298-E333 IonicContact CZ-OE2 3.91Å; R298-E333 IonicContact NE-OE1 3.11Å; R298-E333 PolarHBondContact NE-OE1 3.09Å; R298-E333 VanDerWaalsContact NE-OE1 3.11Å; R298-E333 IonicContact NE-OE2 3.89Å; R298-E333 IonicContact NH1-OE1 3.49Å; R298-E333 PolarHBondContact NH1-OE1 2.73Å; R298-E333 IonicContact NH1-OE2 3.28Å; R298-E333 PolarHBondContact NH1-OE2 2.65Å; Q299-E333 PolarHBondContact O-N 2.96Å; C301-E333 PolarHBondContact N-O 2.88Å; C301-E333 VanDerWaalsContact N-O 3.15Å
334C86.4Confident81.6Confident7 Ų754 Ų545%0.04732%0.32CS..  trans-105.676.1170.5-69.20000108.9L338 A365 C401C334-L338 HydrophobicContact CB-CD2 4.02Å; C334-A365 HydrophobicContact CB-CB 3.97Å; C334-A365 WeakPolarHBondContact CB-O 3.48Å; C334-C401 HydrophobicContact CB-CB 3.77Å; C334-C401 WeakPolarHBondContact CB-SG 3.38Å; C334-C401 VanDerWaalsContact SG-CA 3.6Å; C334-C401 WeakPolarHBondContact SG-CB 3.39Å; C334-C401 CovalentContact SG-SG 2.03Å; C334-C401 PolarHBondContact SG-SG 3.25Å
335S80.2Confident81.2Confident57 Ų5756 Ų5640%0.39933%0.33SS..PPolyproline II helixtrans-99.5139.1178.150.90000111.1P337S335-P337 CarbonylContact O-C 3.44Å
336F72.2Confident80.9Confident93 Ų9360.7 Ų60.741%0.40836%0.357SS..SBendtrans-66.6143.2173.2-172.8-88.3000111L353 L356F336-L353 HydrophobicContact CD1-CD2 4.39Å; F336-L353 HydrophobicContact CD2-CD2 3.77Å; F336-L353 HydrophobicContact CD2-CG 4.17Å; F336-L353 HydrophobicContact CE1-CD2 4.16Å; F336-L353 HydrophobicContact CE2-CD2 3.51Å; F336-L353 HydrophobicContact CE2-CG 4.05Å; F336-L353 HydrophobicContact CG-CD2 4.22Å; F336-L353 HydrophobicContact CZ-CD2 3.73Å; F336-L356 HydrophobicContact CB-CD1 3.84Å; F336-L356 HydrophobicContact CD1-CD1 3.98Å; F336-L356 HydrophobicContact CG-CD1 4.05Å
337P73.9Confident80.7Confident98 Ų9864.3 Ų64.364%0.63637%0.368SS*.SBendcis-70.9128.1-3.228.3-32.8000112S335 G339S335-P337 CarbonylContact O-C 3.44Å; P337-G339 VanDerWaalsContact C-N 3.29Å; P337-G339 PolarHBondContact O-N 3.16Å
338L70.8Confident80.4Confident23 Ų2363.9 Ų63.912%0.1237%0.365CS..  trans-7192173-63.9178.9000107.3C334 M342 A344 A348 I349 C401C334-L338 HydrophobicContact CB-CD2 4.02Å; L338-M342 HydrophobicContact CD2-CE 4.3Å; L338-M342 HydrophobicContact CD2-SD 3.96Å; L338-A344 HydrophobicContact CB-CB 3.97Å; L338-A344 HydrophobicContact CD1-CB 3.62Å; L338-A344 HydrophobicContact CG-CB 4.39Å; L338-A348 HydrophobicContact CD1-CB 4.35Å; L338-I349 HydrophobicContact CD1-CG1 4.03Å; L338-C401 HydrophobicContact CD1-CB 4.32Å; L338-C401 HydrophobicContact CD2-CB 4.27Å
339G63.1Low80Confident30 Ų3063.6 Ų63.631%0.30937%0.367SS..  trans-57.3157.7179.600000112.2P337 C341 M342P337-G339 VanDerWaalsContact C-N 3.29Å; P337-G339 PolarHBondContact O-N 3.16Å; G339-C341 PolarHBondContact O-N 3.37Å; G339-M342 PolarHBondContact O-N 2.91Å
340S61.6Low79.7Confident123 Ų12364.6 Ų64.686%0.8638%0.378SS*.G310 helixtrans-56.1-17.3-178.6-172.70000114.3
341C61.2Low79.5Confident105 Ų10565.3 Ų65.371%0.70938%0.379SS*.G310 helixtrans-76.1-14.1176.655.70000114.8G339G339-C341 PolarHBondContact O-N 3.37Å
342M68.9Low79.1Confident11 Ų1160.8 Ų60.85%0.05436%0.359CS..G310 helixtrans-94.87.2-174-66.3-166.2-120.100114.4V300 C301 L338 G339 A344 G400 C401V300-M342 HydrophobicContact CG1-CE 3.58Å; V300-M342 HydrophobicContact CG1-CG 3.78Å; V300-M342 HydrophobicContact CG1-SD 3.51Å; V300-M342 VanDerWaalsContact CG1-SD 3.51Å; C301-M342 HydrophobicContact CB-SD 4.47Å; L338-M342 HydrophobicContact CD2-CE 4.3Å; L338-M342 HydrophobicContact CD2-SD 3.96Å; G339-M342 PolarHBondContact O-N 2.91Å; M342-A344 PolarHBondContact O-N 2.59Å; M342-G400 CarbonylContact O-C 3.49Å; M342-G400 WeakPolarHBondContact O-CA 3.5Å; M342-C401 PolarHBondContact O-N 2.85Å
343N76.8Confident79Confident98 Ų9863 Ų6352%0.52436%0.364SS..  trans40.944.2179.5-72.2-23.1000113T370N343-T370 HydrophobicContact CB-CG2 4.46Å
344A82.6Confident79.2Confident28 Ų2863 Ų6323%0.23137%0.367CS..  trans-76.4138.3-171.500000111.3L338 M342 I349 C401L338-A344 HydrophobicContact CB-CB 3.97Å; L338-A344 HydrophobicContact CD1-CB 3.62Å; L338-A344 HydrophobicContact CG-CB 4.39Å; M342-A344 PolarHBondContact O-N 2.59Å; A344-I349 HydrophobicContact CB-CG1 4.1Å; A344-C401 WeakPolarHBondContact CA-O 3.48Å; A344-C401 HydrophobicContact CB-CB 4.18Å
345T83.4Confident79.2Confident52 Ų5264.1 Ų64.132%0.31937%0.372SS..  trans-74.3156.3171.4640000111H347 A348 I349 C401 H402T345-H347 PolarHBondContact O-N 2.9Å; T345-A348 WeakPolarHBondContact O-CB 3.48Å; T345-A348 PolarHBondContact O-N 2.83Å; T345-A348 WeakPolarHBondContact OG1-CB 3.17Å; T345-A348 PolarHBondContact OG1-N 3.35Å; T345-A348 VanDerWaalsContact OG1-N 3.1Å; T345-I349 WeakPolarHBondContact O-CG1 3.36Å; T345-I349 PolarHBondContact O-N 3.28Å; T345-C401 PolarHBondContact N-O 3.07Å; T345-H402 WeakPolarHBondContact CG2-ND1 3.49Å
346N85.8Confident79.6Confident130 Ų13066.7 Ų66.770%0.69538%0.381SS*.Hα-helixtrans-54.5-36.8172.1-68.3-13.8000111.7I349 L350N346-I349 PolarHBondContact O-N 3.03Å; N346-L350 WeakPolarHBondContact O-CD1 3.49Å; N346-L350 PolarHBondContact O-N 2.84Å
347H87.3Confident80.4Confident126 Ų12669.7 Ų69.758%0.58340%0.398SS*.Hα-helixtrans-60.6-47.5173.9-179.7-86.4000111.9T345 I349 L350 Q351T345-H347 PolarHBondContact O-N 2.9Å; H347-I349 VanDerWaalsContact C-N 3.32Å; H347-I349 PolarHBondContact O-N 3.4Å; H347-L350 PolarHBondContact O-N 2.92Å; H347-Q351 PolarHBondContact CE1-OE1 2.94Å; H347-Q351 VanDerWaalsContact CE1-OE1 3.26Å; H347-Q351 VanDerWaalsContact O-CB 3.3Å; H347-Q351 WeakPolarHBondContact O-CB 3.34Å; H347-Q351 PolarHBondContact O-N 2.82Å
348A87.1Confident81.1Confident0 Ų068.1 Ų68.10%039%0.387CS..Hα-helixtrans-63.9-35.5178.300000112.9L338 T345 S352 A365 C401L338-A348 HydrophobicContact CD1-CB 4.35Å; T345-A348 WeakPolarHBondContact O-CB 3.48Å; T345-A348 PolarHBondContact O-N 2.83Å; T345-A348 WeakPolarHBondContact OG1-CB 3.17Å; T345-A348 PolarHBondContact OG1-N 3.35Å; T345-A348 VanDerWaalsContact OG1-N 3.1Å; A348-S352 VanDerWaalsContact O-CB 3.29Å; A348-S352 WeakPolarHBondContact O-CB 3.49Å; A348-S352 PolarHBondContact O-N 3.37Å; A348-S352 PolarHBondContact O-OG 3.18Å; A348-A365 HydrophobicContact CB-CB 4.16Å; A348-C401 WeakPolarHBondContact CB-O 3.27Å
349I85.5Confident81.9Confident57 Ų5770.5 Ų70.529%0.29240%0.403SS..Hα-helixtrans-64.5-52.2174.3-63.7167.4000110L338 A344 T345 N346 H347 Q351 S352 L353L338-I349 HydrophobicContact CD1-CG1 4.03Å; A344-I349 HydrophobicContact CB-CG1 4.1Å; T345-I349 WeakPolarHBondContact O-CG1 3.36Å; T345-I349 PolarHBondContact O-N 3.28Å; N346-I349 PolarHBondContact O-N 3.03Å; H347-I349 VanDerWaalsContact C-N 3.32Å; H347-I349 PolarHBondContact O-N 3.4Å; I349-Q351 PolarHBondContact O-N 3.02Å; I349-S352 PolarHBondContact O-N 3.14Å; I349-L353 HydrophobicContact CG2-CD1 4.25Å; I349-L353 WeakPolarHBondContact O-CG 3.26Å; I349-L353 PolarHBondContact O-N 3.36Å
350L87.9Confident83.3Confident111 Ų11177.1 Ų77.158%0.58143%0.432SS*.Hα-helixtrans-58.6-46.5176.4-97.2128.4000111.8N346 H347 S352 L353 V354N346-L350 WeakPolarHBondContact O-CD1 3.49Å; N346-L350 PolarHBondContact O-N 2.84Å; H347-L350 PolarHBondContact O-N 2.92Å; L350-S352 VanDerWaalsContact C-N 3.28Å; L350-S352 PolarHBondContact O-N 2.62Å; L350-L353 PolarHBondContact O-N 2.91Å; L350-V354 WeakPolarHBondContact O-CG2 3.29Å; L350-V354 PolarHBondContact O-N 2.89Å
351Q87.4Confident84.7Confident38 Ų3875.1 Ų75.118%0.17842%0.423CS..Hα-helixtrans-59.8-40.9177.5-176.3179.6-34.200111.4H347 I349 V354 H355 V362 P363 K364H347-Q351 PolarHBondContact CE1-OE1 2.94Å; H347-Q351 VanDerWaalsContact CE1-OE1 3.26Å; H347-Q351 VanDerWaalsContact O-CB 3.3Å; H347-Q351 WeakPolarHBondContact O-CB 3.34Å; H347-Q351 PolarHBondContact O-N 2.82Å; I349-Q351 PolarHBondContact O-N 3.02Å; Q351-V354 PolarHBondContact O-N 3.4Å; Q351-H355 WeakPolarHBondContact O-CB 3.36Å; Q351-H355 PolarHBondContact O-N 3.2Å; Q351-V362 HydrophobicContact CG-CG1 3.69Å; Q351-P363 PolarHBondContact NE2-O 3.37Å; Q351-K364 PolarHBondContact NE2-O 3.5Å
352S84.8Confident86Confident5 Ų571.9 Ų71.94%0.03540%0.399CS..Hα-helixtrans-66.7-39.6177.5-60.50000112A348 I349 L350 H355 L356A348-S352 VanDerWaalsContact O-CB 3.29Å; A348-S352 WeakPolarHBondContact O-CB 3.49Å; A348-S352 PolarHBondContact O-N 3.37Å; A348-S352 PolarHBondContact O-OG 3.18Å; I349-S352 PolarHBondContact O-N 3.14Å; L350-S352 VanDerWaalsContact C-N 3.28Å; L350-S352 PolarHBondContact O-N 2.62Å; S352-H355 PolarHBondContact O-N 3.16Å; S352-L356 WeakPolarHBondContact O-CG 3.37Å; S352-L356 PolarHBondContact O-N 3.35Å; S352-L356 VanDerWaalsContact O-N 3.12Å
353L86.4Confident86.9Confident73 Ų7375.6 Ų75.638%0.38242%0.424SS..Hα-helixtrans-64.5-46.6174.5-72171.4000111.7F336 I349 L350 H355 L356 M357F336-L353 HydrophobicContact CD1-CD2 4.39Å; F336-L353 HydrophobicContact CD2-CD2 3.77Å; F336-L353 HydrophobicContact CD2-CG 4.17Å; F336-L353 HydrophobicContact CE1-CD2 4.16Å; F336-L353 HydrophobicContact CE2-CD2 3.51Å; F336-L353 HydrophobicContact CE2-CG 4.05Å; F336-L353 HydrophobicContact CG-CD2 4.22Å; F336-L353 HydrophobicContact CZ-CD2 3.73Å; I349-L353 HydrophobicContact CG2-CD1 4.25Å; I349-L353 WeakPolarHBondContact O-CG 3.26Å; I349-L353 PolarHBondContact O-N 3.36Å; L350-L353 PolarHBondContact O-N 2.91Å; L353-H355 VanDerWaalsContact C-N 3.34Å; L353-H355 PolarHBondContact O-N 3.09Å; L353-L356 WeakPolarHBondContact O-CB 3.25Å; L353-L356 PolarHBondContact O-N 2.74Å; L353-M357 PolarHBondContact O-N 2.94Å
354V89.3Confident87.3Confident58 Ų5875.5 Ų75.535%0.35242%0.419SS..Hα-helixtrans-66.6-37.9178-179.10000110.8L350 Q351 L356 M357 T358 V362L350-V354 WeakPolarHBondContact O-CG2 3.29Å; L350-V354 PolarHBondContact O-N 2.89Å; Q351-V354 PolarHBondContact O-N 3.4Å; V354-L356 VanDerWaalsContact C-N 3.26Å; V354-L356 PolarHBondContact O-N 3.21Å; V354-M357 CarbonylContact O-C 3.59Å; V354-M357 WeakPolarHBondContact O-CA 3.45Å; V354-M357 WeakPolarHBondContact O-CB 3.38Å; V354-M357 PolarHBondContact O-N 2.97Å; V354-T358 PolarHBondContact O-N 3.16Å; V354-T358 PolarHBondContact O-OG1 3.42Å; V354-V362 HydrophobicContact CB-CG2 4.5Å; V354-V362 HydrophobicContact CG1-CB 4.29Å; V354-V362 HydrophobicContact CG1-CG2 3.63Å
355H87.8Confident87.6Confident30 Ų3074.5 Ų74.514%0.13941%0.411CS..Hα-helixtrans-59.1-36.1173.717869.8000112.5Q351 S352 L353 M357 P359 V362 K364Q351-H355 WeakPolarHBondContact O-CB 3.36Å; Q351-H355 PolarHBondContact O-N 3.2Å; S352-H355 PolarHBondContact O-N 3.16Å; L353-H355 VanDerWaalsContact C-N 3.34Å; L353-H355 PolarHBondContact O-N 3.09Å; H355-M357 VanDerWaalsContact C-N 3.26Å; H355-M357 PolarHBondContact O-N 3.27Å; H355-P359 VanDerWaalsContact O-CA 3.26Å; H355-P359 WeakPolarHBondContact O-CA 3.45Å; H355-P359 WeakPolarHBondContact O-CB 3.28Å; H355-P359 WeakPolarHBondContact O-CD 3.26Å; H355-P359 VanDerWaalsContact O-N 3.16Å; H355-V362 HydrophobicContact CB-CG1 4.31Å; H355-V362 PolarHBondContact ND1-O 3.38Å; H355-K364 VanDerWaalsContact CD2-CG 3.42Å; H355-K364 WeakPolarHBondContact CD2-CG 3.19Å; H355-K364 VanDerWaalsContact NE2-CE 3.26Å; H355-K364 WeakPolarHBondContact NE2-CE 3.47Å; H355-K364 WeakPolarHBondContact NE2-CG 2.9Å
356L87.1Confident87.9Confident112 Ų11276.1 Ų76.159%0.58642%0.423SS*.Hα-helixtrans-64.9-31.4173.6-70.9175.3000112.5F336 S352 L353 V354F336-L356 HydrophobicContact CB-CD1 3.84Å; F336-L356 HydrophobicContact CD1-CD1 3.98Å; F336-L356 HydrophobicContact CG-CD1 4.05Å; S352-L356 WeakPolarHBondContact O-CG 3.37Å; S352-L356 PolarHBondContact O-N 3.35Å; S352-L356 VanDerWaalsContact O-N 3.12Å; L353-L356 WeakPolarHBondContact O-CB 3.25Å; L353-L356 PolarHBondContact O-N 2.74Å; V354-L356 VanDerWaalsContact C-N 3.26Å; V354-L356 PolarHBondContact O-N 3.21Å
357M89.4Confident88.2Confident156 Ų15671.2 Ų71.277%0.76840%0.399SS*.Hα-helixtrans-82.5-39.7178.6-61-179.17600112.4L353 V354 H355L353-M357 PolarHBondContact O-N 2.94Å; V354-M357 CarbonylContact O-C 3.59Å; V354-M357 WeakPolarHBondContact O-CA 3.45Å; V354-M357 WeakPolarHBondContact O-CB 3.38Å; V354-M357 PolarHBondContact O-N 2.97Å; H355-M357 VanDerWaalsContact C-N 3.26Å; H355-M357 PolarHBondContact O-N 3.27Å
358T89.6Confident88.5Confident65 Ų6566.6 Ų66.640%0.39938%0.383SS..  trans-139.270.7-173.352.40000112V354 D360 A361 V362V354-T358 PolarHBondContact O-N 3.16Å; V354-T358 PolarHBondContact O-OG1 3.42Å; T358-D360 PolarHBondContact O-N 2.93Å; T358-A361 PolarHBondContact O-N 2.73Å; T358-A361 VanDerWaalsContact O-N 3.07Å; T358-V362 PolarHBondContact O-N 3.19Å; T358-V362 VanDerWaalsContact O-N 3.12Å
359P88.1Confident88.7Confident72 Ų7269.3 Ų69.347%0.46840%0.4SS..THydrogen-bonded Turntrans-65-24.7-172.125.3-35000114.2H355H355-P359 VanDerWaalsContact O-CA 3.26Å; H355-P359 WeakPolarHBondContact O-CA 3.45Å; H355-P359 WeakPolarHBondContact O-CB 3.28Å; H355-P359 WeakPolarHBondContact O-CD 3.26Å; H355-P359 VanDerWaalsContact O-N 3.16Å
360D90.7Very high89Confident170 Ų17069.4 Ų69.491%0.90940%0.404SS*.THydrogen-bonded Turntrans-78.7-21178.2-64.1-38.5000113.1T358T358-D360 PolarHBondContact O-N 2.93Å
361A91.3Very high89.1Confident81 Ų8169.4 Ų69.467%0.66940%0.399SS*.THydrogen-bonded Turntrans-99-35.6-177.300000112.7T358T358-A361 PolarHBondContact O-N 2.73Å; T358-A361 VanDerWaalsContact O-N 3.07Å
362V88.1Confident89.2Confident36 Ų3670.7 Ų70.722%0.21841%0.407CS..SBendtrans-118.9130.2-175.5178.80000109.4Q351 V354 H355 T358Q351-V362 HydrophobicContact CG-CG1 3.69Å; V354-V362 HydrophobicContact CB-CG2 4.5Å; V354-V362 HydrophobicContact CG1-CB 4.29Å; V354-V362 HydrophobicContact CG1-CG2 3.63Å; H355-V362 HydrophobicContact CB-CG1 4.31Å; H355-V362 PolarHBondContact ND1-O 3.38Å; T358-V362 PolarHBondContact O-N 3.19Å; T358-V362 VanDerWaalsContact O-N 3.12Å
363P88.8Confident89.4Confident89 Ų8971.9 Ų71.958%0.57842%0.415SS*.PPolyproline II helixtrans-78.2161.3175.531.3-34.3000112.3Q351Q351-P363 PolarHBondContact NE2-O 3.37Å
364K85.2Confident89.5Confident97 Ų9769.6 Ų69.642%0.42241%0.406SS..PPolyproline II helixtrans-61.4150.9169.8-67.1-174.5178.5-173.80111.7Q351 H355Q351-K364 PolarHBondContact NE2-O 3.5Å; H355-K364 VanDerWaalsContact CD2-CG 3.42Å; H355-K364 WeakPolarHBondContact CD2-CG 3.19Å; H355-K364 VanDerWaalsContact NE2-CE 3.26Å; H355-K364 WeakPolarHBondContact NE2-CE 3.47Å; H355-K364 WeakPolarHBondContact NE2-CG 2.9Å
365A88.1Confident89.4Confident7 Ų767.9 Ų67.96%0.05840%0.396CS..PPolyproline II helixtrans-59.4148.4167.700000110.8C334 A348 C401 H402C334-A365 HydrophobicContact CB-CB 3.97Å; C334-A365 WeakPolarHBondContact CB-O 3.48Å; A348-A365 HydrophobicContact CB-CB 4.16Å; A365-C401 HydrophobicContact CB-CB 4.48Å; A365-H402 WeakPolarHBondContact CA-O 3.08Å
366C90.4Very high89.5Confident85 Ų8567 Ų6757%0.57439%0.393SS*.PPolyproline II helixtrans-100.5142.6-176.5-66.60000111.3A368 C401 H402C366-A368 PolarHBondContact O-N 3.29Å; C366-C401 WeakPolarHBondContact O-CA 3.46Å; C366-H402 PolarHBondContact N-O 3.45Å; C366-H402 PolarHBondContact O-N 3Å
367C91.6Very high89.7Confident27 Ų2761.8 Ų61.818%0.18237%0.366CS..EExtended strand (participates in β ladder)trans-80113.5170.5-173.10000109.4C301C301-C367 WeakPolarHBondContact CA-SG 3.3Å; C301-C367 HydrophobicContact CB-CB 3.69Å; C301-C367 WeakPolarHBondContact CB-SG 3.49Å; C301-C367 VanDerWaalsContact SG-CA 3.51Å; C301-C367 WeakPolarHBondContact SG-CB 3.36Å; C301-C367 CovalentContact SG-SG 2.04Å; C301-C367 PolarHBondContact SG-SG 2.83Å
368A93.1Very high89.9Confident30 Ų3054.4 Ų54.425%0.24833%0.33CS..EExtended strand (participates in β ladder)trans-137.2159.1-174.500000112.4C330 C366 T370 C399 G400C330-A368 VanDerWaalsContact SG-C 3.56Å; C366-A368 PolarHBondContact O-N 3.29Å; A368-T370 PolarHBondContact O-N 3.17Å; A368-C399 CarbonylContact O-C 3.55Å; A368-C399 WeakPolarHBondContact O-CA 3.49Å; A368-G400 PolarHBondContact N-O 3.4Å; A368-G400 PolarHBondContact O-N 3.4Å
369P92.8Very high89.9Confident57 Ų5751.8 Ų51.837%0.3731%0.313SS..EExtended strand (participates in β ladder)trans-63.2129.1175-2233.7000112.4C330 L372 V396 A398C330-P369 VanDerWaalsContact SG-CA 3.56Å; C330-P369 VanDerWaalsContact SG-N 3.42Å; P369-L372 HydrophobicContact CB-CD1 4.25Å; P369-L372 HydrophobicContact CB-CD2 3.83Å; P369-L372 HydrophobicContact CB-CG 3.95Å; P369-L372 HydrophobicContact CG-CD2 4.36Å; P369-V396 HydrophobicContact CB-CG1 4.14Å; P369-V396 HydrophobicContact CB-CG2 4.13Å; P369-V396 HydrophobicContact CG-CG1 4.43Å; P369-V396 HydrophobicContact CG-CG2 3.87Å; P369-A398 WeakPolarHBondContact CA-O 3.46Å
370T91.1Very high89.9Confident59 Ų5949.2 Ų49.236%0.36229%0.294SS..EExtended strand (participates in β ladder)trans-99.5-38.2175.644.80000112.4N343 A368 A398 C399 H402N343-T370 HydrophobicContact CB-CG2 4.46Å; A368-T370 PolarHBondContact O-N 3.17Å; T370-A398 PolarHBondContact N-O 3.24Å; T370-A398 VanDerWaalsContact OG1-CB 3.25Å; T370-A398 WeakPolarHBondContact OG1-CB 3.34Å; T370-A398 PolarHBondContact OG1-O 3.42Å; T370-C399 PolarHBondContact OG1-N 2.74Å; T370-C399 PolarHBondContact OG1-O 3.49Å; T370-H402 WeakPolarHBondContact CG2-NE2 3.35Å
371K91.1Very high89.6Confident111 Ų11141.6 Ų41.648%0.48325%0.253SS..EExtended strand (participates in β ladder)trans-123125.4173.7-169.2175.9-179178.60108.7D91 K397 A398D91-K371 IonicContact OD2-NZ 3.44Å; D91-K371 PolarHBondContact OD2-NZ 2.95Å; K371-K397 HydrophobicContact CB-CB 4.18Å; K371-K397 HydrophobicContact CD-CB 4.35Å; K371-K397 HydrophobicContact CG-CB 4.11Å; K371-K397 PolarHBondContact O-N 2.87Å; K371-A398 HydrophobicContact CB-CB 3.93Å; K371-A398 PolarHBondContact N-O 3.36Å; K371-A398 PolarHBondContact O-N 2.98Å
372L89.6Confident89.1Confident65 Ų6540.7 Ų40.734%0.3424%0.242SC..EExtended strand (participates in β ladder)trans-117.9152.1173.8-66.8154.2000109.4P369 N393 V395 V396P369-L372 HydrophobicContact CB-CD1 4.25Å; P369-L372 HydrophobicContact CB-CD2 3.83Å; P369-L372 HydrophobicContact CB-CG 3.95Å; P369-L372 HydrophobicContact CG-CD2 4.36Å; L372-N393 HydrophobicContact CB-CB 4.27Å; L372-N393 HydrophobicContact CD1-CB 4.02Å; L372-V395 CarbonylContact C-O 3.6Å; L372-V395 WeakPolarHBondContact CA-O 3.23Å; L372-V396 HydrophobicContact CD2-CB 4.42Å; L372-V396 HydrophobicContact CD2-CG2 3.8Å
373S88.7Confident88.6Confident29 Ų2941.1 Ų41.120%0.20325%0.246CC..EExtended strand (participates in β ladder)trans-126.1163.2176.454.70000110.7N393 M394 V395 K397S373-N393 PolarHBondContact O-N 2.89Å; S373-M394 PolarHBondContact O-N 2.96Å; S373-V395 PolarHBondContact N-O 2.78Å; S373-V395 PolarHBondContact O-N 2.78Å; S373-V395 VanDerWaalsContact O-N 3.13Å; S373-V395 VanDerWaalsContact OG-CB 3.31Å; S373-V395 WeakPolarHBondContact OG-CB 3.31Å; S373-V395 WeakPolarHBondContact OG-CG1 3.41Å; S373-V395 PolarHBondContact OG-O 3.06Å; S373-K397 WeakPolarHBondContact OG-CE 3.3Å; S373-K397 WeakPolarHBondContact OG-CG 3.08Å
374A87.9Confident88.1Confident25 Ų2539 Ų3921%0.20723%0.231CC..EExtended strand (participates in β ladder)trans-85.3162.1178.700000111.5K390 H391 R392A374-K390 HydrophobicContact CB-CD 4.3Å; A374-K390 VanDerWaalsContact CB-CE 3.45Å; A374-K390 HydrophobicContact CB-CG 3.91Å; A374-H391 CarbonylContact C-O 3.53Å; A374-H391 WeakPolarHBondContact CA-O 3.42Å; A374-H391 WeakPolarHBondContact CB-O 3.42Å; A374-R392 HydrophobicContact CB-CG 4.41Å
375T87.9Confident88.2Confident22 Ų2234.8 Ų34.814%0.13521%0.212CC..EExtended strand (participates in β ladder)trans-139.8147.2166.2-167.30000109.2Y325 H391 M394Y325-T375 HydrophobicContact CD2-CG2 4.28Å; Y325-T375 HydrophobicContact CE2-CG2 4.35Å; Y325-T375 HydrophobicContact CG-CG2 4.48Å; T375-H391 PolarHBondContact N-O 3.39Å; T375-H391 PolarHBondContact O-N 2.93Å; T375-M394 HydrophobicContact CG2-CB 3.71Å; T375-M394 HydrophobicContact CG2-CG 4.11Å
376S89.9Confident88.3Confident11 Ų1134.6 Ų34.68%0.07721%0.21CC..EExtended strand (participates in β ladder)trans-102.2138.7-179-61.30000110.7Y81 P322 R389Y81-S376 WeakPolarHBondContact CE2-O 3.23Å; P322-S376 WeakPolarHBondContact CD-O 3.19Å; S376-R389 CarbonylContact C-O 3.23Å; S376-R389 VanDerWaalsContact CA-O 3.3Å; S376-R389 WeakPolarHBondContact CA-O 3.42Å
377V90.8Very high88.3Confident4 Ų431.2 Ų31.22%0.02419%0.186CC..EExtended strand (participates in β ladder)trans-124.6129.5177.5-175.40000109.2F310 V319 Y379 R389F310-V377 HydrophobicContact CE2-CG1 4.47Å; F310-V377 HydrophobicContact CZ-CG2 4.23Å; V319-V377 HydrophobicContact CG1-CG1 4.09Å; V377-Y379 HydrophobicContact CG1-CD1 4.06Å; V377-R389 PolarHBondContact N-O 2.96Å; V377-R389 PolarHBondContact O-N 2.91Å
378L92.4Very high88.3Confident0 Ų030 Ų300%018%0.178CC..EExtended strand (participates in β ladder)trans-105.5123.4176.8-177.271.1000109.3M77 L78 Y81 I320 A321 V386 I387 L388M77-L378 HydrophobicContact CB-CD1 3.9Å; M77-L378 HydrophobicContact CE-CD1 4.43Å; L78-L378 HydrophobicContact CB-CD2 4.18Å; L78-L378 HydrophobicContact CD1-CD2 3.85Å; Y81-L378 HydrophobicContact CD2-CB 4.42Å; I320-L378 HydrophobicContact CB-CB 4.42Å; I320-L378 HydrophobicContact CB-CD2 3.95Å; I320-L378 HydrophobicContact CB-CG 3.99Å; I320-L378 HydrophobicContact CD1-CD2 4.38Å; I320-L378 HydrophobicContact CD1-CG 4.19Å; I320-L378 HydrophobicContact CG2-CD2 3.77Å; I320-L378 HydrophobicContact CG2-CG 4.38Å; I320-L378 PolarHBondContact N-O 3.03Å; A321-L378 HydrophobicContact CB-CB 4.25Å; A321-L378 HydrophobicContact CB-CD2 4.45Å; A321-L378 PolarHBondContact N-O 2.91Å; A321-L378 VanDerWaalsContact N-O 3.16Å; A321-L378 PolarHBondContact O-N 2.85Å; L378-V386 HydrophobicContact CD1-CG1 3.46Å; L378-V386 VanDerWaalsContact CD1-CG1 3.46Å; L378-V386 HydrophobicContact CG-CG1 4.07Å; L378-I387 CarbonylContact C-O 3.55Å; L378-I387 WeakPolarHBondContact CA-O 3.38Å; L378-L388 HydrophobicContact CB-CD1 4.23Å; L378-L388 HydrophobicContact CD1-CB 3.8Å; L378-L388 HydrophobicContact CD1-CD1 4.33Å; L378-L388 HydrophobicContact CD1-CG 4.45Å
379Y90.6Very high88.1Confident11 Ų1131.5 Ų31.54%0.04318%0.177CC..EExtended strand (participates in β ladder)trans-154.7164.5-173.565-88.7000113.7L54 W318 V377 I387 R389L54-Y379 HydrophobicContact CD2-CE2 3.71Å; L54-Y379 WeakPolarHBondContact CD2-OH 3.41Å; W318-Y379 AromaticContact CE3-CD2 3.74Å; W318-Y379 HydrophobicContact CE3-CD2 3.74Å; W318-Y379 AromaticContact CE3-CG 3.84Å; W318-Y379 HydrophobicContact CE3-CG 3.84Å; W318-Y379 HydrophobicContact CZ3-CD1 4.27Å; W318-Y379 AromaticContact CZ3-CD2 3.66Å; W318-Y379 HydrophobicContact CZ3-CD2 3.66Å; W318-Y379 HydrophobicContact CZ3-CE2 4.39Å; W318-Y379 AromaticContact CZ3-CG 3.59Å; W318-Y379 HydrophobicContact CZ3-CG 3.59Å; W318-Y379 CarbonylContact O-C 3.58Å; W318-Y379 WeakPolarHBondContact O-CA 3.41Å; W318-Y379 WeakPolarHBondContact O-CB 3.37Å; V377-Y379 HydrophobicContact CG1-CD1 4.06Å; Y379-I387 HydrophobicContact CD2-CB 4.35Å; Y379-I387 HydrophobicContact CE1-CB 4.16Å; Y379-I387 HydrophobicContact CE1-CG2 3.93Å; Y379-I387 HydrophobicContact CE2-CB 3.92Å; Y379-I387 HydrophobicContact CE2-CD1 4Å; Y379-I387 HydrophobicContact CE2-CG1 4.4Å; Y379-I387 HydrophobicContact CE2-CG2 4.23Å; Y379-I387 PolarHBondContact N-O 3.42Å; Y379-I387 PolarHBondContact O-N 2.91Å; Y379-I387 WeakPolarHBondContact OH-CG2 3.19Å; Y379-R389 HydrophobicContact CE1-CB 4.16Å
380Y88.3Confident87.9Confident17 Ų1731.9 Ų31.97%0.06717%0.173CC..EExtended strand (participates in β ladder)trans-89.2139.5172-72.2-73.5000112.1P58 A65 R68 P74 W318 I320 N385 V386P58-Y380 WeakPolarHBondContact CB-O 3.28Å; A65-Y380 HydrophobicContact CB-CD2 3.93Å; A65-Y380 HydrophobicContact CB-CE2 3.74Å; R68-Y380 VanDerWaalsContact NH1-CD1 3.3Å; R68-Y380 VanDerWaalsContact NH1-CE1 3.28Å; P74-Y380 HydrophobicContact CG-CE1 4.25Å; P74-Y380 WeakPolarHBondContact CG-OH 3.41Å; W318-Y380 PolarHBondContact O-N 2.79Å; I320-Y380 HydrophobicContact CD1-CD2 3.8Å; I320-Y380 HydrophobicContact CD1-CE1 4.28Å; I320-Y380 HydrophobicContact CD1-CE2 3.44Å; I320-Y380 VanDerWaalsContact CD1-CE2 3.44Å; I320-Y380 HydrophobicContact CD1-CG 4.35Å; I320-Y380 HydrophobicContact CG1-CD2 3.83Å; I320-Y380 HydrophobicContact CG1-CE2 3.65Å; Y380-N385 WeakPolarHBondContact CA-O 3.41Å; Y380-V386 HydrophobicContact CD1-CG2 3.73Å; Y380-V386 HydrophobicContact CE1-CG2 3.32Å
381D84.6Confident87.6Confident11 Ų1129.5 Ų29.56%0.05916%0.158CC..  trans-82.5-176.5166.179.2-3000112.4S383 N384 N385 I387D381-S383 PolarHBondContact O-N 2.88Å; D381-S383 VanDerWaalsContact OD1-CA 3.25Å; D381-S383 WeakPolarHBondContact OD1-CA 3.19Å; D381-S383 WeakPolarHBondContact OD1-CB 3.46Å; D381-S383 PolarHBondContact OD1-N 2.95Å; D381-N384 PolarHBondContact O-N 3.4Å; D381-N384 PolarHBondContact OD1-N 2.86Å; D381-N385 PolarHBondContact N-O 2.86Å; D381-N385 WeakPolarHBondContact OD1-CB 3.34Å; D381-N385 PolarHBondContact OD1-N 2.93Å; D381-N385 WeakPolarHBondContact OD2-CB 2.9Å; D381-N385 PolarHBondContact OD2-ND2 2.77Å; D381-I387 HydrophobicContact CB-CD1 3.71Å; D381-I387 HydrophobicContact CB-CG1 4.38Å
382S80.4Confident87.4Confident62 Ų6231.1 Ų31.143%0.43416%0.161SC..THydrogen-bonded Turntrans-67.2-22.2177.2-57.50000113.6
383S76.8Confident87.2Confident44 Ų4433.3 Ų33.331%0.30817%0.173SC..THydrogen-bonded Turntrans-93.43.1179.2-63.90000113.2Q134 D381 N385Q134-S383 PolarHBondContact NE2-OG 2.83Å; D381-S383 PolarHBondContact O-N 2.88Å; D381-S383 VanDerWaalsContact OD1-CA 3.25Å; D381-S383 WeakPolarHBondContact OD1-CA 3.19Å; D381-S383 WeakPolarHBondContact OD1-CB 3.46Å; D381-S383 PolarHBondContact OD1-N 2.95Å; S383-N385 VanDerWaalsContact C-N 3.26Å
384N79.6Confident87.2Confident46 Ų4633.4 Ų33.425%0.24617%0.171CC..SBendtrans66.417.3-172.8-54.3-63.6000115.3P60 R68 D381P60-N384 WeakPolarHBondContact CB-OD1 3.06Å; R68-N384 PolarHBondContact NH1-OD1 2.85Å; R68-N384 VanDerWaalsContact NH1-OD1 3.11Å; R68-N384 PolarHBondContact NH2-OD1 2.87Å; D381-N384 PolarHBondContact O-N 3.4Å; D381-N384 PolarHBondContact OD1-N 2.86Å
385N86Confident87.4Confident8 Ų832.9 Ų32.94%0.04317%0.165CC..  trans-69145.7165-59-46.9000109.1S107 Y380 D381 S383S107-N385 WeakPolarHBondContact O-CB 3.31Å; S107-N385 PolarHBondContact O-OD1 2.8Å; Y380-N385 WeakPolarHBondContact CA-O 3.41Å; D381-N385 PolarHBondContact N-O 2.86Å; D381-N385 WeakPolarHBondContact OD1-CB 3.34Å; D381-N385 PolarHBondContact OD1-N 2.93Å; D381-N385 WeakPolarHBondContact OD2-CB 2.9Å; D381-N385 PolarHBondContact OD2-ND2 2.77Å; S383-N385 VanDerWaalsContact C-N 3.26Å
386V90.9Very high87.6Confident2 Ų232.4 Ų32.41%0.01216%0.162CC..EExtended strand (participates in β ladder)trans-94.6126.7174-175.80000108.9P74 M77 S107 I320 L378 Y380P74-V386 HydrophobicContact CB-CG2 3.99Å; P74-V386 HydrophobicContact CG-CG2 3.69Å; M77-V386 HydrophobicContact CB-CB 4.35Å; M77-V386 HydrophobicContact CB-CG1 3.74Å; M77-V386 HydrophobicContact CG-CB 4.16Å; M77-V386 HydrophobicContact CG-CG1 4.05Å; S107-V386 PolarHBondContact N-O 2.93Å; S107-V386 VanDerWaalsContact OG-CB 3.3Å; S107-V386 WeakPolarHBondContact OG-CB 3.49Å; S107-V386 PolarHBondContact OG-N 3.29Å; S107-V386 PolarHBondContact OG-O 3.21Å; I320-V386 HydrophobicContact CD1-CG1 3.75Å; I320-V386 HydrophobicContact CD1-CG2 4.16Å; L378-V386 HydrophobicContact CD1-CG1 3.46Å; L378-V386 VanDerWaalsContact CD1-CG1 3.46Å; L378-V386 HydrophobicContact CG-CG1 4.07Å; Y380-V386 HydrophobicContact CD1-CG2 3.73Å; Y380-V386 HydrophobicContact CE1-CG2 3.32Å
387I90.8Very high87.7Confident14 Ų1436.6 Ų36.67%0.07218%0.179CC..EExtended strand (participates in β ladder)trans-117.2130.8-177.8-57-175.3000108.9L104 V105 M106 L378 Y379 D381L104-I387 HydrophobicContact CD1-CG2 3.37Å; V105-I387 WeakPolarHBondContact O-CA 3.4Å; M106-I387 HydrophobicContact CE-CD1 3.86Å; M106-I387 HydrophobicContact CE-CG1 4.17Å; M106-I387 HydrophobicContact CG-CG1 4.2Å; M106-I387 HydrophobicContact CG-CG2 4.36Å; L378-I387 CarbonylContact C-O 3.55Å; L378-I387 WeakPolarHBondContact CA-O 3.38Å; Y379-I387 HydrophobicContact CD2-CB 4.35Å; Y379-I387 HydrophobicContact CE1-CB 4.16Å; Y379-I387 HydrophobicContact CE1-CG2 3.93Å; Y379-I387 HydrophobicContact CE2-CB 3.92Å; Y379-I387 HydrophobicContact CE2-CD1 4Å; Y379-I387 HydrophobicContact CE2-CG1 4.4Å; Y379-I387 HydrophobicContact CE2-CG2 4.23Å; Y379-I387 PolarHBondContact N-O 3.42Å; Y379-I387 PolarHBondContact O-N 2.91Å; Y379-I387 WeakPolarHBondContact OH-CG2 3.19Å; D381-I387 HydrophobicContact CB-CD1 3.71Å; D381-I387 HydrophobicContact CB-CG1 4.38Å
388L91.8Very high87.8Confident3 Ų337.7 Ų37.72%0.01619%0.188CC..EExtended strand (participates in β ladder)trans-115.3117.9171.2176.749.3000108.6M77 L80 Y81 M84 L104 V105 L378M77-L388 HydrophobicContact CE-CB 3.58Å; L80-L388 HydrophobicContact CB-CD2 4.43Å; L80-L388 HydrophobicContact CD2-CD2 4.07Å; L80-L388 HydrophobicContact CG-CD2 3.93Å; Y81-L388 HydrophobicContact CD2-CD1 3.82Å; M84-L388 HydrophobicContact CE-CD1 4.35Å; M84-L388 HydrophobicContact CE-CD2 3.1Å; M84-L388 HydrophobicContact CE-CG 3.7Å; L104-L388 CarbonylContact C-O 3.5Å; L104-L388 WeakPolarHBondContact CA-O 3.36Å; V105-L388 HydrophobicContact CB-CB 4.27Å; V105-L388 PolarHBondContact N-O 2.85Å; V105-L388 PolarHBondContact O-N 2.85Å; L378-L388 HydrophobicContact CB-CD1 4.23Å; L378-L388 HydrophobicContact CD1-CB 3.8Å; L378-L388 HydrophobicContact CD1-CD1 4.33Å; L378-L388 HydrophobicContact CD1-CG 4.45Å
389R89.3Confident87.8Confident60 Ų6038.3 Ų38.323%0.22619%0.193CC..EExtended strand (participates in β ladder)trans-126.9133.7-174.8-169.2167.3-166.6-125.7-1.8111.7L52 G53 L104 S376 V377 Y379 H391L52-R389 PolarHBondContact O-NH1 3.31Å; G53-R389 VanDerWaalsContact CA-NH1 3.27Å; L104-R389 HydrophobicContact CD1-CB 4.13Å; L104-R389 HydrophobicContact CD1-CG 4.2Å; S376-R389 CarbonylContact C-O 3.23Å; S376-R389 VanDerWaalsContact CA-O 3.3Å; S376-R389 WeakPolarHBondContact CA-O 3.42Å; V377-R389 PolarHBondContact N-O 2.96Å; V377-R389 PolarHBondContact O-N 2.91Å; Y379-R389 HydrophobicContact CE1-CB 4.16Å; R389-H391 PolarHBondContact O-CD2 2.82Å
390K87.1Confident87.7Confident65 Ų6537.8 Ų37.828%0.28319%0.191SC..EExtended strand (participates in β ladder)trans-90.3114.9173.4-170.4164.6-170.2155.10109.7D88 D103 A374D88-K390 IonicContact OD1-NZ 3.76Å; D88-K390 PolarHBondContact OD1-NZ 2.03Å; D103-K390 PolarHBondContact O-N 3.4Å; A374-K390 HydrophobicContact CB-CD 4.3Å; A374-K390 VanDerWaalsContact CB-CE 3.45Å; A374-K390 HydrophobicContact CB-CG 3.91Å
391H85.6Confident87.8Confident9 Ų937 Ų374%0.04219%0.187CC..EExtended strand (participates in β ladder)trans-98.6110.6177.3-61.5-81000109.9L52 A374 T375 R389 M394L52-H391 PolarHBondContact O-CE1 2.89Å; A374-H391 CarbonylContact C-O 3.53Å; A374-H391 WeakPolarHBondContact CA-O 3.42Å; A374-H391 WeakPolarHBondContact CB-O 3.42Å; T375-H391 PolarHBondContact N-O 3.39Å; T375-H391 PolarHBondContact O-N 2.93Å; R389-H391 PolarHBondContact O-CD2 2.82Å; H391-M394 HydrophobicContact CB-CG 3.47Å; H391-M394 VanDerWaalsContact CB-CG 3.47Å; H391-M394 HydrophobicContact CB-SD 4.31Å; H391-M394 WeakPolarHBondContact O-CG 3.49Å
392R85.6Confident87.8Confident146 Ų14640.3 Ų40.355%0.55120%0.202SC*.EExtended strand (participates in β ladder)trans-74.1155.8176.2-57.9-176.1-171.5174.45.3110.6D103 A374 M394D103-R392 VanDerWaalsContact CG-NH2 3.29Å; D103-R392 IonicContact OD1-CZ 2.82Å; D103-R392 IonicContact OD1-NE 2.65Å; D103-R392 PolarHBondContact OD1-NE 2.84Å; D103-R392 IonicContact OD1-NH2 3.45Å; D103-R392 PolarHBondContact OD1-NH2 3.34Å; D103-R392 IonicContact OD2-NH2 3.92Å; D103-R392 PolarHBondContact OD2-NH2 2.98Å; A374-R392 HydrophobicContact CB-CG 4.41Å; R392-M394 VanDerWaalsContact C-N 3.33Å; R392-M394 PolarHBondContact O-N 2.91Å
393N86.4Confident88.2Confident111 Ų11139.2 Ų39.259%0.59419%0.191SC*.EExtended strand (participates in β ladder)trans62.931.2173.3-58.6-28.4000115.5L372 S373L372-N393 HydrophobicContact CB-CB 4.27Å; L372-N393 HydrophobicContact CD1-CB 4.02Å; S373-N393 PolarHBondContact O-N 2.89Å
394M88.9Confident88.8Confident31 Ų3138.9 Ų38.915%0.15319%0.185CC..EExtended strand (participates in β ladder)trans-101.2-21.3-175.9-66.2-59.8-67.900114V51 L52 Y325 S373 T375 H391 R392V51-M394 HydrophobicContact CG1-CE 3.95Å; V51-M394 HydrophobicContact CG1-SD 3.56Å; V51-M394 VanDerWaalsContact CG1-SD 3.56Å; L52-M394 HydrophobicContact CD2-CE 4.09Å; Y325-M394 HydrophobicContact CE2-CB 4.39Å; Y325-M394 VanDerWaalsContact OH-CE 3.31Å; Y325-M394 WeakPolarHBondContact OH-CE 3.3Å; S373-M394 PolarHBondContact O-N 2.96Å; T375-M394 HydrophobicContact CG2-CB 3.71Å; T375-M394 HydrophobicContact CG2-CG 4.11Å; H391-M394 HydrophobicContact CB-CG 3.47Å; H391-M394 VanDerWaalsContact CB-CG 3.47Å; H391-M394 HydrophobicContact CB-SD 4.31Å; H391-M394 WeakPolarHBondContact O-CG 3.49Å; R392-M394 VanDerWaalsContact C-N 3.33Å; R392-M394 PolarHBondContact O-N 2.91Å
395V91.4Very high89.3Confident14 Ų1438.6 Ų38.69%0.08518%0.181CC..EExtended strand (participates in β ladder)trans-123.8119.8-175.1173.90000110.1Y325 S326 A327 Y328 L372 S373 K397Y325-V395 HydrophobicContact CD2-CG2 3.72Å; Y325-V395 HydrophobicContact CE2-CG2 3.97Å; S326-V395 WeakPolarHBondContact O-CG1 3.5Å; A327-V395 WeakPolarHBondContact O-CA 3.46Å; Y328-V395 HydrophobicContact CD2-CG1 4.1Å; Y328-V395 HydrophobicContact CE2-CG1 4.37Å; L372-V395 CarbonylContact C-O 3.6Å; L372-V395 WeakPolarHBondContact CA-O 3.23Å; S373-V395 PolarHBondContact N-O 2.78Å; S373-V395 PolarHBondContact O-N 2.78Å; S373-V395 VanDerWaalsContact O-N 3.13Å; S373-V395 VanDerWaalsContact OG-CB 3.31Å; S373-V395 WeakPolarHBondContact OG-CB 3.31Å; S373-V395 WeakPolarHBondContact OG-CG1 3.41Å; S373-V395 PolarHBondContact OG-O 3.06Å; V395-K397 PolarHBondContact O-N 2.82Å
396V93.5Very high89.5Confident11 Ų1140.4 Ų40.47%0.06719%0.189CC..EExtended strand (participates in β ladder)trans-74122177.11800000109.8R303 A327 P369 L372R303-V396 VanDerWaalsContact CD-O 3.24Å; R303-V396 WeakPolarHBondContact CD-O 3.49Å; R303-V396 HydrophobicContact CG-CG1 4.24Å; A327-V396 PolarHBondContact O-N 3.45Å; P369-V396 HydrophobicContact CB-CG1 4.14Å; P369-V396 HydrophobicContact CB-CG2 4.13Å; P369-V396 HydrophobicContact CG-CG1 4.43Å; P369-V396 HydrophobicContact CG-CG2 3.87Å; L372-V396 HydrophobicContact CD2-CB 4.42Å; L372-V396 HydrophobicContact CD2-CG2 3.8Å
397K92Very high89.4Confident99 Ų9942.8 Ų42.843%0.4320%0.2SC..EExtended strand (participates in β ladder)trans-100.5-35.8174.8-66.1-73.2-177.7165.20111.7R303 K371 S373 V395R303-K397 PolarHBondContact NE-O 3.41Å; K371-K397 HydrophobicContact CB-CB 4.18Å; K371-K397 HydrophobicContact CD-CB 4.35Å; K371-K397 HydrophobicContact CG-CB 4.11Å; K371-K397 PolarHBondContact O-N 2.87Å; S373-K397 WeakPolarHBondContact OG-CE 3.3Å; S373-K397 WeakPolarHBondContact OG-CG 3.08Å; V395-K397 PolarHBondContact O-N 2.82Å
398A91.1Very high89.3Confident27 Ų2744.7 Ų44.722%0.22321%0.209CC..EExtended strand (participates in β ladder)trans-143.2152.5177.900000112P369 T370 K371P369-A398 WeakPolarHBondContact CA-O 3.46Å; T370-A398 PolarHBondContact N-O 3.24Å; T370-A398 VanDerWaalsContact OG1-CB 3.25Å; T370-A398 WeakPolarHBondContact OG1-CB 3.34Å; T370-A398 PolarHBondContact OG1-O 3.42Å; K371-A398 HydrophobicContact CB-CB 3.93Å; K371-A398 PolarHBondContact N-O 3.36Å; K371-A398 PolarHBondContact O-N 2.98Å
399C92.3Very high89.1Confident14 Ų1447.6 Ų47.610%0.09522%0.223CC..EExtended strand (participates in β ladder)trans-116.6158.7174.6-610000110.1R303 C330 A368 T370R303-C399 VanDerWaalsContact CA-SG 3.52Å; C330-C399 WeakPolarHBondContact CA-SG 3.38Å; C330-C399 HydrophobicContact CB-CB 3.81Å; C330-C399 WeakPolarHBondContact CB-SG 3.36Å; C330-C399 VanDerWaalsContact SG-CA 3.56Å; C330-C399 WeakPolarHBondContact SG-CB 3.44Å; C330-C399 CovalentContact SG-SG 2.03Å; C330-C399 PolarHBondContact SG-SG 2.86Å; A368-C399 CarbonylContact O-C 3.55Å; A368-C399 WeakPolarHBondContact O-CA 3.49Å; T370-C399 PolarHBondContact OG1-N 2.74Å; T370-C399 PolarHBondContact OG1-O 3.49Å
400G90.3Very high89.1Confident0 Ų046.7 Ų46.70%022%0.222CC..EExtended strand (participates in β ladder)trans-163.8175.7171.700000112.7M342 A368M342-G400 CarbonylContact O-C 3.49Å; M342-G400 WeakPolarHBondContact O-CA 3.5Å; A368-G400 PolarHBondContact N-O 3.4Å; A368-G400 PolarHBondContact O-N 3.4Å
401C89.1Confident89.3Confident0 Ų045.2 Ų45.20%022%0.217CC..EExtended strand (participates in β ladder)trans-97.1124.4-179.3-65.50000111.5C334 L338 M342 A344 T345 A348 A365 C366C334-C401 HydrophobicContact CB-CB 3.77Å; C334-C401 WeakPolarHBondContact CB-SG 3.38Å; C334-C401 VanDerWaalsContact SG-CA 3.6Å; C334-C401 WeakPolarHBondContact SG-CB 3.39Å; C334-C401 CovalentContact SG-SG 2.03Å; C334-C401 PolarHBondContact SG-SG 3.25Å; L338-C401 HydrophobicContact CD1-CB 4.32Å; L338-C401 HydrophobicContact CD2-CB 4.27Å; M342-C401 PolarHBondContact O-N 2.85Å; A344-C401 WeakPolarHBondContact CA-O 3.48Å; A344-C401 HydrophobicContact CB-CB 4.18Å; T345-C401 PolarHBondContact N-O 3.07Å; A348-C401 WeakPolarHBondContact CB-O 3.27Å; A365-C401 HydrophobicContact CB-CB 4.48Å; C366-C401 WeakPolarHBondContact O-CA 3.46Å
402H85.1Confident89.6Confident80 Ų8048.5 Ų48.537%0.3723%0.233SC..  trans-126.90-176.1-68.1-82.6000113.3T345 A365 C366 T370T345-H402 WeakPolarHBondContact CG2-ND1 3.49Å; A365-H402 WeakPolarHBondContact CA-O 3.08Å; C366-H402 PolarHBondContact N-O 3.45Å; C366-H402 PolarHBondContact O-N 3Å; T370-H402 WeakPolarHBondContact CG2-NE2 3.35Å

Retrieved 402 of 402 residues in 208.9 ms (Link to these results)