A0A087YEX0_POEFO Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A087YEX0, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 552 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1Q26.5Very low32.5Very low253 Ų253143.7 Ų143.7100%1.18284%0.837SS**  0110.40-85.1166.6-27.200107.2
2G29.4Very low33.6Very low76 Ų76143.8 Ų143.878%0.78482%0.824SS**  trans-87.4119175.800000109.2V4G2-V4 PolarHBondContact O-N 2.72Å
3L26.9Very low35.1Very low154 Ų154146.8 Ų146.881%0.80683%0.826SS**  trans-78.4112.6171.9-160.379.5000107.6
4V32.5Very low37.3Very low127 Ų127146.4 Ų146.477%0.7781%0.805SS**  trans-92.196.7170.9177.10000106.6G2 S6G2-V4 PolarHBondContact O-N 2.72Å; V4-S6 PolarHBondContact O-N 3.3Å
5D31.3Very low40Very low139 Ų139139.7 Ų139.774%0.74377%0.771SS**  trans-83101.9167.5-88-23.2000108.8
6S35.4Very low42.6Very low100 Ų100141.2 Ų141.270%0.69976%0.761SS**  trans-104.292.816960.30000109.6V4V4-S6 PolarHBondContact O-N 3.3Å
7T31.7Very low45.2Very low141 Ų141141.9 Ų141.987%0.86575%0.751SS**  trans-84.6109.9166.5470000109.4
8S33.4Very low47.7Very low117 Ų117140.5 Ų140.582%0.81874%0.74SS**  trans-99.7114.4176.859.70000111.6
9L33.5Very low49.9Very low169 Ų169139.4 Ų139.489%0.88573%0.734SS**  trans-126.1131.7158.9-97.8153.2000106.7S11L9-S11 PolarHBondContact O-N 3.17Å
10Q37.7Very low51.9Low205 Ų205136.9 Ų136.996%0.95872%0.718SS**SBendtrans-65.498.7-172.8-84.4-175.8-13.600112.5
11S39.3Very low53.7Low100 Ų100132.6 Ų132.670%0.69970%0.702SS**SBendtrans162.5118.3145.5170.20000105.4L9L9-S11 PolarHBondContact O-N 3.17Å
12E45.3Very low56.6Low144 Ų144126.7 Ų126.767%0.67367%0.673SS**  trans85.492.8174.6-60.6-172.9160.300118R14 L40E12-R14 PolarHBondContact O-N 2.87Å; E12-L40 HydrophobicContact CB-CD1 3.47Å; E12-L40 VanDerWaalsContact CB-CD1 3.47Å; E12-L40 HydrophobicContact CG-CD1 3.57Å; E12-L40 HydrophobicContact CG-CD2 4.18Å
13E52.8Low59Low183 Ų183129.5 Ų129.586%0.85567%0.667SS**  trans-76109.2170.2-104.4-175.7156.700111.8
14R66.9Low61.2Low141 Ų141126.5 Ų126.553%0.53266%0.664SS.*  trans-103.3109.1165.8-178175.3-178.5172.72108.8E12 R16E12-R14 PolarHBondContact O-N 2.87Å; R14-R16 HydrophobicContact CG-CG 4.48Å; R14-R16 VanDerWaalsContact CZ-NH2 3.26Å
15T76.9Confident62.4Low47 Ų47124.7 Ų124.729%0.28866%0.663SS.*EExtended strand (participates in β ladder)trans-85.1129.2178.650.80000110.9R38T15-R38 PolarHBondContact N-O 3.25Å; T15-R38 PolarHBondContact O-N 3.41Å
16R82.6Confident63.9Low163 Ų163124.9 Ų124.962%0.61566%0.664SS**EExtended strand (participates in β ladder)trans-128125.2176.4-62.2-175.8-176.7176.41.9108.5R14 I36 T37R14-R16 HydrophobicContact CG-CG 4.48Å; R14-R16 VanDerWaalsContact CZ-NH2 3.26Å; R16-I36 CarbonylContact C-O 3.48Å; R16-I36 WeakPolarHBondContact CA-O 3.3Å; R16-T37 HydrophobicContact CG-CG2 4.04Å
17Y86.8Confident65.4Low153 Ų153129.7 Ų129.760%0.668%0.676SS**EExtended strand (participates in β ladder)trans-113.1128.1173-57.3-83.5000108.7N35 I36Y17-N35 CarbonylContact O-C 3.54Å; Y17-N35 WeakPolarHBondContact O-CA 3.3Å; Y17-I36 HydrophobicContact CD2-CB 4.46Å; Y17-I36 HydrophobicContact CD2-CG2 4.42Å; Y17-I36 PolarHBondContact N-O 2.78Å; Y17-I36 PolarHBondContact O-N 3.22Å
18H90Very high67.4Low117 Ų117132.9 Ų132.954%0.54267%0.672SS.*EExtended strand (participates in β ladder)trans-117.1121.9173.7178.963.1000108.8E20 N35H18-E20 IonicContact NE2-OE2 3.28Å; H18-N35 PolarHBondContact ND1-OD1 2.74Å
19L89.4Confident69.8Low119 Ų119129.6 Ų129.662%0.62365%0.647SS**EExtended strand (participates in β ladder)trans-117123.8175.1-179.473.1000108.1S33 A34L19-S33 CarbonylContact O-C 3.56Å; L19-S33 WeakPolarHBondContact O-CA 3.39Å; L19-A34 HydrophobicContact CB-CB 4.43Å; L19-A34 PolarHBondContact N-O 3.48Å; L19-A34 PolarHBondContact O-N 3.28Å
20E89.9Confident72.3Confident89 Ų89123.3 Ų123.342%0.41662%0.616SS.*EExtended strand (participates in β ladder)trans-126.6127.8172.7-172.1177.4107.300109.3H18 K22 I31 L32H18-E20 IonicContact NE2-OE2 3.28Å; E20-K22 WeakPolarHBondContact OE1-CE 3.39Å; E20-K22 IonicContact OE1-NZ 4Å; E20-K22 PolarHBondContact OE1-NZ 3.11Å; E20-I31 HydrophobicContact CG-CG2 4.06Å; E20-L32 CarbonylContact C-O 3.54Å; E20-L32 WeakPolarHBondContact CA-O 3.36Å
21A88.9Confident74.8Confident48 Ų48115 Ų11540%0.39758%0.578SS.*EExtended strand (participates in β ladder)trans-121.5130.3174.200000109L32A21-L32 PolarHBondContact N-O 3.25Å; A21-L32 PolarHBondContact O-N 3.28Å
22K87.6Confident77.2Confident129 Ų129114 Ų11456%0.56156%0.564SS**EExtended strand (participates in β ladder)trans-117.9125.1177.2-69.6177.3168140.20108.6E20 V30 I31E20-K22 WeakPolarHBondContact OE1-CE 3.39Å; E20-K22 IonicContact OE1-NZ 4Å; E20-K22 PolarHBondContact OE1-NZ 3.11Å; K22-V30 WeakPolarHBondContact CA-O 3.43Å; K22-I31 HydrophobicContact CG-CG1 4.21Å; K22-I31 HydrophobicContact CG-CG2 4.16Å
23M81Confident79.4Confident134 Ų134107.9 Ų107.966%0.6654%0.537SS*.EExtended strand (participates in β ladder)trans-112.4122.6173.1-67.3-172.9-68.500108.6V30M23-V30 HydrophobicContact CE-CG1 4.41Å; M23-V30 PolarHBondContact N-O 3.39Å; M23-V30 PolarHBondContact O-N 3.45Å
24A71.8Confident81.3Confident91 Ų91100 Ų10075%0.75250%0.504SS*.  trans-102.1124.7179.800000109.5
25A59.1Low82.5Confident90 Ų9096.4 Ų96.474%0.74450%0.495SS*.SBendtrans-113.8-3816200000110.9
26D62.4Low83.1Confident142 Ų14298.1 Ų98.176%0.75950%0.502SS*.SBendtrans-155.3-165.7175.9-66-54.1000111.3R28D26-R28 CarbonylContact O-C 3.6Å; D26-R28 PolarHBondContact O-N 3.35Å
27Q66.7Low83.4Confident202 Ų20291.8 Ų91.894%0.94448%0.481SS*.SBendtrans-50.9-1.2-174.9-65.5-174.33.600117.5
28R74.1Confident83.2Confident207 Ų20792.4 Ų92.478%0.78148%0.482SS*.SBendtrans-129.790.4173-65.3-175-178.1-166.10.6110.6D26D26-R28 CarbonylContact O-C 3.6Å; D26-R28 PolarHBondContact O-N 3.35Å
29P82.7Confident82.3Confident48 Ų4887.8 Ų87.831%0.31247%0.467SS..  trans-68138.5-177.527-33.8000111.4N52P29-N52 WeakPolarHBondContact O-CB 3.35Å; P29-N52 PolarHBondContact O-ND2 2.72Å
30V87.3Confident81Confident38 Ų3887.3 Ų87.323%0.2346%0.464CS..EExtended strand (participates in β ladder)trans-73.5126.2171172.20000108.4K22 M23 L50 V53K22-V30 WeakPolarHBondContact CA-O 3.43Å; M23-V30 HydrophobicContact CE-CG1 4.41Å; M23-V30 PolarHBondContact N-O 3.39Å; M23-V30 PolarHBondContact O-N 3.45Å; V30-L50 HydrophobicContact CG1-CD1 3.84Å; V30-V53 HydrophobicContact CB-CG2 4.27Å; V30-V53 HydrophobicContact CG1-CG2 3.45Å; V30-V53 VanDerWaalsContact CG1-CG2 3.45Å; V30-V53 HydrophobicContact CG2-CG2 3.87Å
31I88.8Confident79.6Confident30 Ų3085.4 Ų85.415%0.15447%0.468CS..EExtended strand (participates in β ladder)trans-119.2116.9-176.6-47.2-179.7000109.1E20 K22 L50 K51E20-I31 HydrophobicContact CG-CG2 4.06Å; K22-I31 HydrophobicContact CG-CG1 4.21Å; K22-I31 HydrophobicContact CG-CG2 4.16Å; I31-L50 WeakPolarHBondContact O-CA 3.25Å; I31-K51 HydrophobicContact CB-CB 4.26Å; I31-K51 PolarHBondContact N-O 2.88Å; I31-K51 PolarHBondContact O-N 3.01Å
32L90.4Very high79Confident79 Ų7990.1 Ų90.141%0.41448%0.476SS..EExtended strand (participates in β ladder)trans-103.1121.8167.517766.9000108.3E20 A21 T49 L50E20-L32 CarbonylContact C-O 3.54Å; E20-L32 WeakPolarHBondContact CA-O 3.36Å; A21-L32 PolarHBondContact N-O 3.25Å; A21-L32 PolarHBondContact O-N 3.28Å; L32-T49 WeakPolarHBondContact CA-O 3.01Å; L32-L50 HydrophobicContact CB-CD1 4.22Å; L32-L50 HydrophobicContact CD1-CD1 4.36Å
33S92.2Very high78.9Confident15 Ų1588.1 Ų88.111%0.10547%0.467CS..EExtended strand (participates in β ladder)trans-121.4139.2172.557.60000109.6L19 A48 T49L19-S33 CarbonylContact O-C 3.56Å; L19-S33 WeakPolarHBondContact O-CA 3.39Å; S33-A48 CarbonylContact O-C 3.57Å; S33-A48 WeakPolarHBondContact O-CA 3.15Å; S33-T49 PolarHBondContact N-O 2.94Å; S33-T49 PolarHBondContact O-N 2.79Å; S33-T49 PolarHBondContact OG-OG1 2.85Å
34A92Very high79.3Confident19 Ų1984 Ų8416%0.15745%0.451CS..EExtended strand (participates in β ladder)trans-135.9129.5176.500000110.1L19 S47 A48L19-A34 HydrophobicContact CB-CB 4.43Å; L19-A34 PolarHBondContact N-O 3.48Å; L19-A34 PolarHBondContact O-N 3.28Å; A34-S47 CarbonylContact C-O 3.57Å; A34-S47 VanDerWaalsContact CA-O 3.27Å; A34-S47 WeakPolarHBondContact CA-O 2.92Å; A34-A48 HydrophobicContact CB-CB 4.26Å
35N91.8Very high80.3Confident64 Ų6481.2 Ų81.234%0.34243%0.426SS..EExtended strand (participates in β ladder)trans-116.6122.6177.1-69.6-37.5000109Y17 H18 L46 S47Y17-N35 CarbonylContact O-C 3.54Å; Y17-N35 WeakPolarHBondContact O-CA 3.3Å; H18-N35 PolarHBondContact ND1-OD1 2.74Å; N35-L46 CarbonylContact O-C 3.5Å; N35-L46 WeakPolarHBondContact O-CA 3.45Å; N35-S47 WeakPolarHBondContact CB-OG 3.38Å; N35-S47 PolarHBondContact N-O 3.03Å; N35-S47 PolarHBondContact O-N 3.07Å
36I90.1Very high81.9Confident83 Ų8380.2 Ų80.243%0.42641%0.408SS..EExtended strand (participates in β ladder)trans-112.9122.3171.3-61.2166.1000107R16 Y17 S45 L46R16-I36 CarbonylContact C-O 3.48Å; R16-I36 WeakPolarHBondContact CA-O 3.3Å; Y17-I36 HydrophobicContact CD2-CB 4.46Å; Y17-I36 HydrophobicContact CD2-CG2 4.42Å; Y17-I36 PolarHBondContact N-O 2.78Å; Y17-I36 PolarHBondContact O-N 3.22Å; I36-S45 CarbonylContact C-O 3.55Å; I36-S45 WeakPolarHBondContact CA-O 3.38Å; I36-L46 HydrophobicContact CD1-CD1 4.15Å; I36-L46 HydrophobicContact CG1-CD1 3.48Å; I36-L46 VanDerWaalsContact CG1-CD1 3.48Å
37T88Confident83.4Confident30 Ų3075.3 Ų75.318%0.18439%0.385CS..EExtended strand (participates in β ladder)trans-121.4136173.285.30000110.3R16 S44 S45R16-T37 HydrophobicContact CG-CG2 4.04Å; T37-S44 CarbonylContact O-C 3.44Å; T37-S44 WeakPolarHBondContact O-CA 3.46Å; T37-S45 PolarHBondContact N-O 3.05Å; T37-S45 PolarHBondContact O-N 3Å; T37-S45 PolarHBondContact OG1-OG 2.84Å
38R82.9Confident84.7Confident167 Ų16766.7 Ų66.763%0.6335%0.348SS*.EExtended strand (participates in β ladder)trans-122.9113.6173-171.8177.6-178.9178.2-1.1107.6T15 K43T15-R38 PolarHBondContact N-O 3.25Å; T15-R38 PolarHBondContact O-N 3.41Å; R38-K43 WeakPolarHBondContact CA-O 3.25Å
39G71.1Confident85.6Confident20 Ų2058.7 Ų58.721%0.20632%0.322CS..EExtended strand (participates in β ladder)trans-110.9171-174.900000113.9K43G39-K43 PolarHBondContact N-O 2.8Å
40L61.9Low86.1Confident109 Ų10958.6 Ų58.657%0.57132%0.319SS*.THydrogen-bonded Turntrans-59.1141.2169.8-88.9111.2000111.1E12E12-L40 HydrophobicContact CB-CD1 3.47Å; E12-L40 VanDerWaalsContact CB-CD1 3.47Å; E12-L40 HydrophobicContact CG-CD1 3.57Å; E12-L40 HydrophobicContact CG-CD2 4.18Å
41G60.8Low86.2Confident49 Ų4961.2 Ų61.251%0.50533%0.327SS..THydrogen-bonded Turntrans93.620.5-173.500000114.7K43G41-K43 PolarHBondContact O-N 2.92Å; G41-K43 VanDerWaalsContact O-N 3.13Å
42R75.4Confident86.1Confident147 Ų14763.8 Ų63.856%0.55534%0.342SS*.THydrogen-bonded Turntrans52.934.7-177.2-60.7178175.9161.9-1.1111.9R66R42-R66 HydrophobicContact CB-CB 4.12Å
43K86.4Confident85.8Confident87 Ų8763.5 Ų63.538%0.37834%0.343SS..EExtended strand (participates in β ladder)trans-92.6122.4176.1-175.9169.9-172.1148.90109.6R38 G39 G41 L64 E65R38-K43 WeakPolarHBondContact CA-O 3.25Å; G39-K43 PolarHBondContact N-O 2.8Å; G41-K43 PolarHBondContact O-N 2.92Å; G41-K43 VanDerWaalsContact O-N 3.13Å; K43-L64 CarbonylContact C-O 3.59Å; K43-L64 VanDerWaalsContact CA-O 3.26Å; K43-L64 WeakPolarHBondContact CA-O 3.14Å; K43-E65 HydrophobicContact CB-CB 4.33Å; K43-E65 HydrophobicContact CB-CG 4.24Å; K43-E65 HydrophobicContact CD-CB 4.36Å; K43-E65 HydrophobicContact CD-CG 4.29Å; K43-E65 WeakPolarHBondContact CD-OE2 3.35Å; K43-E65 WeakPolarHBondContact CE-OE2 3.25Å; K43-E65 HydrophobicContact CG-CB 4.08Å; K43-E65 HydrophobicContact CG-CG 4.32Å; K43-E65 IonicContact NZ-OE2 3.68Å; K43-E65 PolarHBondContact NZ-OE2 2.92Å
44S89.8Confident85.4Confident47 Ų4766.1 Ų66.133%0.32935%0.352SS..EExtended strand (participates in β ladder)trans-122.4126.5177.4-62.50000108.7T37 A63 L64T37-S44 CarbonylContact O-C 3.44Å; T37-S44 WeakPolarHBondContact O-CA 3.46Å; S44-A63 CarbonylContact O-C 3.55Å; S44-A63 WeakPolarHBondContact O-CA 3.38Å; S44-L64 PolarHBondContact N-O 3.07Å; S44-L64 PolarHBondContact O-N 3.5Å
45S91.8Very high84.9Confident33 Ų3377.7 Ų77.723%0.23139%0.392CS..EExtended strand (participates in β ladder)trans-124.9137.3175.272.60000111.3I36 T37 V62I36-S45 CarbonylContact C-O 3.55Å; I36-S45 WeakPolarHBondContact CA-O 3.38Å; T37-S45 PolarHBondContact N-O 3.05Å; T37-S45 PolarHBondContact O-N 3Å; T37-S45 PolarHBondContact OG1-OG 2.84Å; S45-V62 CarbonylContact C-O 3.55Å; S45-V62 WeakPolarHBondContact CA-O 3.47Å
46L92.6Very high84.7Confident68 Ų6878 Ų7836%0.35639%0.391SS..EExtended strand (participates in β ladder)trans-115.2132.7169.8170.671.3000107.2N35 I36 S61 V62N35-L46 CarbonylContact O-C 3.5Å; N35-L46 WeakPolarHBondContact O-CA 3.45Å; I36-L46 HydrophobicContact CD1-CD1 4.15Å; I36-L46 HydrophobicContact CG1-CD1 3.48Å; I36-L46 VanDerWaalsContact CG1-CD1 3.48Å; L46-S61 CarbonylContact O-C 3.55Å; L46-S61 WeakPolarHBondContact O-CA 3.33Å; L46-V62 PolarHBondContact N-O 3.16Å; L46-V62 PolarHBondContact O-N 2.84Å
47S93.8Very high84.7Confident40 Ų4076.9 Ų76.928%0.2839%0.389SS..EExtended strand (participates in β ladder)trans-134.6132.6166.355.50000109.2A34 N35 L60A34-S47 CarbonylContact C-O 3.57Å; A34-S47 VanDerWaalsContact CA-O 3.27Å; A34-S47 WeakPolarHBondContact CA-O 2.92Å; N35-S47 WeakPolarHBondContact CB-OG 3.38Å; N35-S47 PolarHBondContact N-O 3.03Å; N35-S47 PolarHBondContact O-N 3.07Å; S47-L60 CarbonylContact C-O 3.58Å; S47-L60 WeakPolarHBondContact CA-O 3.37Å
48A94.4Very high84.9Confident20 Ų2075.7 Ų75.717%0.16538%0.382CS..EExtended strand (participates in β ladder)trans-127.8137.4177.300000109.5S33 A34 S59 L60S33-A48 CarbonylContact O-C 3.57Å; S33-A48 WeakPolarHBondContact O-CA 3.15Å; A34-A48 HydrophobicContact CB-CB 4.26Å; A48-S59 CarbonylContact O-C 3.55Å; A48-S59 WeakPolarHBondContact O-CA 3.25Å; A48-L60 HydrophobicContact CB-CB 4.49Å; A48-L60 PolarHBondContact N-O 3.19Å; A48-L60 PolarHBondContact O-N 2.99Å
49T93.8Very high85.5Confident39 Ų3969.9 Ų69.924%0.23937%0.366CS..EExtended strand (participates in β ladder)trans-129.4143.1174.573.60000110.9L32 S33 T57 A58L32-T49 WeakPolarHBondContact CA-O 3.01Å; S33-T49 PolarHBondContact N-O 2.94Å; S33-T49 PolarHBondContact O-N 2.79Å; S33-T49 PolarHBondContact OG-OG1 2.85Å; T49-T57 HydrophobicContact CG2-CG2 4.48Å; T49-A58 CarbonylContact C-O 3.47Å; T49-A58 VanDerWaalsContact CA-O 3.25Å; T49-A58 WeakPolarHBondContact CA-O 3.19Å
50L91.8Very high86.6Confident47 Ų4772.2 Ų72.225%0.24637%0.374CS..EExtended strand (participates in β ladder)trans-123.5113.6179.2-178.567.1000108.9V30 I31 L32 V53 F54 A58V30-L50 HydrophobicContact CG1-CD1 3.84Å; I31-L50 WeakPolarHBondContact O-CA 3.25Å; L32-L50 HydrophobicContact CB-CD1 4.22Å; L32-L50 HydrophobicContact CD1-CD1 4.36Å; L50-V53 HydrophobicContact CD1-CG2 3.85Å; L50-V53 HydrophobicContact CD2-CB 4.11Å; L50-V53 HydrophobicContact CD2-CG1 4.36Å; L50-V53 HydrophobicContact CD2-CG2 3.87Å; L50-V53 HydrophobicContact CG-CB 4.18Å; L50-V53 HydrophobicContact CG-CG2 3.72Å; L50-F54 HydrophobicContact CD2-CE2 4.24Å; L50-A58 HydrophobicContact CB-CB 4.23Å; L50-A58 PolarHBondContact N-O 2.81Å; L50-A58 PolarHBondContact O-N 2.72Å
51K90.1Very high88.2Confident93 Ų9368.6 Ų68.640%0.40436%0.358SS..EExtended strand (participates in β ladder)trans-106.1154.7-178.1-60-178.7177.2177.90111I31 V53 T57I31-K51 HydrophobicContact CB-CB 4.26Å; I31-K51 PolarHBondContact N-O 2.88Å; I31-K51 PolarHBondContact O-N 3.01Å; K51-V53 PolarHBondContact O-N 2.89Å; K51-T57 HydrophobicContact CG-CG2 3.79Å
52N86.3Confident89.8Confident84 Ų8468 Ų6845%0.44934%0.344SS..SBendtrans63.215.6175.6-57.4-28.4000115.8P29P29-N52 WeakPolarHBondContact O-CB 3.35Å; P29-N52 PolarHBondContact O-ND2 2.72Å
53V83.8Confident90.7Very high72 Ų7262 Ų6244%0.43633%0.327SS..SBendtrans-99.4-39.3169.5179.20000111.3V30 L50 K51V30-V53 HydrophobicContact CB-CG2 4.27Å; V30-V53 HydrophobicContact CG1-CG2 3.45Å; V30-V53 VanDerWaalsContact CG1-CG2 3.45Å; V30-V53 HydrophobicContact CG2-CG2 3.87Å; L50-V53 HydrophobicContact CD1-CG2 3.85Å; L50-V53 HydrophobicContact CD2-CB 4.11Å; L50-V53 HydrophobicContact CD2-CG1 4.36Å; L50-V53 HydrophobicContact CD2-CG2 3.87Å; L50-V53 HydrophobicContact CG-CB 4.18Å; L50-V53 HydrophobicContact CG-CG2 3.72Å; K51-V53 PolarHBondContact O-N 2.89Å
54F83.8Confident91Very high71 Ų7162.1 Ų62.131%0.31133%0.331SS..SBendtrans-113.5170.3177.8-55.3-80.8000110.6L50 E56 A58 P86L50-F54 HydrophobicContact CD2-CE2 4.24Å; F54-E56 CarbonylContact C-O 3.6Å; F54-E56 WeakPolarHBondContact CB-O 3.47Å; F54-E56 PolarHBondContact O-N 2.66Å; F54-A58 HydrophobicContact CD2-CB 3.82Å; F54-A58 HydrophobicContact CE2-CB 3.94Å; F54-P86 HydrophobicContact CB-CB 3.98Å; F54-P86 HydrophobicContact CB-CG 3.86Å; F54-P86 HydrophobicContact CG-CB 4.5Å; F54-P86 HydrophobicContact CG-CG 4.3Å
55R82.9Confident91.1Very high261 Ų26161.4 Ų61.499%0.98532%0.322SS*.SBendtrans-58.1-30.3173.9-76.4-173.4175.3-172.9-1112.8
56E87.1Confident90.9Very high71 Ų7164.1 Ų64.133%0.33233%0.327SS..SBendtrans-122171.2175.7-57-174.7177.500110.1F54 A58 F84 P86 R119F54-E56 CarbonylContact C-O 3.6Å; F54-E56 WeakPolarHBondContact CB-O 3.47Å; F54-E56 PolarHBondContact O-N 2.66Å; E56-A58 PolarHBondContact O-N 2.93Å; E56-F84 HydrophobicContact CB-CE1 4.41Å; E56-F84 WeakPolarHBondContact OE2-CZ 3.47Å; E56-P86 HydrophobicContact CB-CB 4.01Å; E56-P86 HydrophobicContact CB-CG 3.78Å; E56-R119 IonicContact OE1-CZ 3.34Å; E56-R119 IonicContact OE1-NE 3.41Å; E56-R119 PolarHBondContact OE1-NE 2.81Å; E56-R119 IonicContact OE1-NH2 3.11Å; E56-R119 PolarHBondContact OE1-NH2 3.27Å; E56-R119 VanDerWaalsContact OE1-NH2 3.11Å; E56-R119 IonicContact OE2-CZ 3.18Å; E56-R119 IonicContact OE2-NE 2.87Å; E56-R119 PolarHBondContact OE2-NE 2.95Å; E56-R119 IonicContact OE2-NH2 2.74Å; E56-R119 PolarHBondContact OE2-NH2 3.14Å
57T90.3Very high90.6Very high60 Ų6067.2 Ų67.237%0.36833%0.334SS..  trans-75127176.4-60.30000109.8T49 K51 F84T49-T57 HydrophobicContact CG2-CG2 4.48Å; K51-T57 HydrophobicContact CG-CG2 3.79Å; T57-F84 WeakPolarHBondContact O-CD1 3.42Å
58A92.7Very high90Very high5 Ų570.1 Ų70.14%0.04134%0.343CS..EExtended strand (participates in β ladder)trans-79.3139.6168.100000109.6T49 L50 F54 E56 F84 L85T49-A58 CarbonylContact C-O 3.47Å; T49-A58 VanDerWaalsContact CA-O 3.25Å; T49-A58 WeakPolarHBondContact CA-O 3.19Å; L50-A58 HydrophobicContact CB-CB 4.23Å; L50-A58 PolarHBondContact N-O 2.81Å; L50-A58 PolarHBondContact O-N 2.72Å; F54-A58 HydrophobicContact CD2-CB 3.82Å; F54-A58 HydrophobicContact CE2-CB 3.94Å; E56-A58 PolarHBondContact O-N 2.93Å; A58-F84 CarbonylContact C-O 3.59Å; A58-F84 VanDerWaalsContact CA-O 3.25Å; A58-F84 WeakPolarHBondContact CA-O 3.43Å; A58-L85 HydrophobicContact CB-CD2 3.97Å
59S93.9Very high89.2Confident44 Ų4473.6 Ų73.631%0.30836%0.359SS..EExtended strand (participates in β ladder)trans-138.2140.7-177.260.50000112.2A48 L83 F84A48-S59 CarbonylContact O-C 3.55Å; A48-S59 WeakPolarHBondContact O-CA 3.25Å; S59-L83 CarbonylContact O-C 3.34Å; S59-L83 WeakPolarHBondContact O-CA 3.34Å; S59-F84 PolarHBondContact N-O 3.14Å; S59-F84 PolarHBondContact O-N 2.81Å
60L94.9Very high87.9Confident69 Ų6979.8 Ų79.836%0.36139%0.39SS..EExtended strand (participates in β ladder)trans-124.3126.5168.1171.965.3000107.3S47 A48 V62 E82 L83S47-L60 CarbonylContact C-O 3.58Å; S47-L60 WeakPolarHBondContact CA-O 3.37Å; A48-L60 HydrophobicContact CB-CB 4.49Å; A48-L60 PolarHBondContact N-O 3.19Å; A48-L60 PolarHBondContact O-N 2.99Å; L60-V62 HydrophobicContact CD1-CG2 4.07Å; L60-V62 HydrophobicContact CG-CG2 4.42Å; L60-E82 CarbonylContact C-O 3.47Å; L60-E82 VanDerWaalsContact CA-O 3.31Å; L60-E82 WeakPolarHBondContact CA-O 3.44Å; L60-L83 HydrophobicContact CB-CD1 4.47Å; L60-L83 HydrophobicContact CD1-CD1 4.31Å
61S95.1Very high86.7Confident34 Ų3483.3 Ų83.324%0.23842%0.418CS..EExtended strand (participates in β ladder)trans-126.3139.6169.874.30000108.6L46 A81 E82L46-S61 CarbonylContact O-C 3.55Å; L46-S61 WeakPolarHBondContact O-CA 3.33Å; S61-A81 CarbonylContact O-C 3.5Å; S61-A81 WeakPolarHBondContact O-CA 3.42Å; S61-E82 PolarHBondContact N-O 2.81Å; S61-E82 PolarHBondContact O-N 3.26Å; S61-E82 VanDerWaalsContact OG-CB 3.29Å; S61-E82 WeakPolarHBondContact OG-CB 3.33Å; S61-E82 PolarHBondContact OG-N 3.34Å
62V95.5Very high85.6Confident36 Ų3681 Ų8122%0.21841%0.414CS..EExtended strand (participates in β ladder)trans-141.2126.3175.1-176.30000107.3S45 L46 L60 L64 E80 A81S45-V62 CarbonylContact C-O 3.55Å; S45-V62 WeakPolarHBondContact CA-O 3.47Å; L46-V62 PolarHBondContact N-O 3.16Å; L46-V62 PolarHBondContact O-N 2.84Å; L60-V62 HydrophobicContact CD1-CG2 4.07Å; L60-V62 HydrophobicContact CG-CG2 4.42Å; V62-L64 HydrophobicContact CG1-CD1 3.9Å; V62-E80 CarbonylContact C-O 3.47Å; V62-E80 VanDerWaalsContact CA-O 3.28Å; V62-E80 WeakPolarHBondContact CA-O 3.31Å; V62-A81 HydrophobicContact CG1-CB 4.48Å; V62-A81 HydrophobicContact CG2-CB 4.09Å
63A93.4Very high84.9Confident22 Ų2281.7 Ų81.718%0.18243%0.425CS..EExtended strand (participates in β ladder)trans-126.9124173.900000109.2S44 V79 E80S44-A63 CarbonylContact O-C 3.55Å; S44-A63 WeakPolarHBondContact O-CA 3.38Å; A63-V79 CarbonylContact O-C 3.53Å; A63-V79 WeakPolarHBondContact O-CA 3.47Å; A63-E80 HydrophobicContact CB-CB 4.48Å; A63-E80 PolarHBondContact N-O 3.34Å; A63-E80 PolarHBondContact O-N 2.94Å
64L92.8Very high85Confident88 Ų8878.8 Ų78.846%0.46141%0.409SS..EExtended strand (participates in β ladder)trans-110.3133.6171.2-66.2107.1000108.9K43 S44 V62 S78 V79K43-L64 CarbonylContact C-O 3.59Å; K43-L64 VanDerWaalsContact CA-O 3.26Å; K43-L64 WeakPolarHBondContact CA-O 3.14Å; S44-L64 PolarHBondContact N-O 3.07Å; S44-L64 PolarHBondContact O-N 3.5Å; V62-L64 HydrophobicContact CG1-CD1 3.9Å; L64-S78 WeakPolarHBondContact CA-O 3.39Å; L64-V79 HydrophobicContact CD2-CG2 3.75Å; L64-V79 HydrophobicContact CG-CG2 4.08Å
65E91.6Very high85.2Confident33 Ų3376.7 Ų76.715%0.15440%0.402CS..EExtended strand (participates in β ladder)trans-137.9128.9179.2178.7174.2171.800110.1K43 R67 Y77 S78K43-E65 HydrophobicContact CB-CB 4.33Å; K43-E65 HydrophobicContact CB-CG 4.24Å; K43-E65 HydrophobicContact CD-CB 4.36Å; K43-E65 HydrophobicContact CD-CG 4.29Å; K43-E65 WeakPolarHBondContact CD-OE2 3.35Å; K43-E65 WeakPolarHBondContact CE-OE2 3.25Å; K43-E65 HydrophobicContact CG-CB 4.08Å; K43-E65 HydrophobicContact CG-CG 4.32Å; K43-E65 IonicContact NZ-OE2 3.68Å; K43-E65 PolarHBondContact NZ-OE2 2.92Å; E65-R67 HydrophobicContact CG-CG 4.28Å; E65-R67 IonicContact OE1-CZ 3.14Å; E65-R67 IonicContact OE1-NE 3.54Å; E65-R67 PolarHBondContact OE1-NE 2.83Å; E65-R67 IonicContact OE1-NH2 3.42Å; E65-R67 PolarHBondContact OE1-NH2 2.76Å; E65-R67 IonicContact OE2-NH2 3.51Å; E65-Y77 CarbonylContact O-C 3.5Å; E65-Y77 WeakPolarHBondContact O-CA 3.12Å; E65-S78 WeakPolarHBondContact CB-OG 3.21Å; E65-S78 PolarHBondContact N-O 3.06Å; E65-S78 PolarHBondContact O-N 3.38Å; E65-S78 PolarHBondContact O-OG 3.04Å
66R88.2Confident85.6Confident90 Ų9066.7 Ų66.734%0.3437%0.367SS..EExtended strand (participates in β ladder)trans-116.6108.7177.7178.2-176.21791700.3109.7R42 Q76 Y77R42-R66 HydrophobicContact CB-CB 4.12Å; R66-Q76 CarbonylContact C-O 3.44Å; R66-Q76 WeakPolarHBondContact CA-O 3.5Å; R66-Y77 HydrophobicContact CB-CD1 4.11Å; R66-Y77 HydrophobicContact CB-CE1 4.26Å; R66-Y77 VanDerWaalsContact CD-CE1 3.41Å; R66-Y77 HydrophobicContact CG-CD1 3.83Å; R66-Y77 HydrophobicContact CG-CE1 3.56Å; R66-Y77 PolarHBondContact NE-OH 3.42Å; R66-Y77 PolarHBondContact NH2-OH 2.72Å
67R86.4Confident85.8Confident133 Ų13367 Ų6750%0.50237%0.365SS..EExtended strand (participates in β ladder)trans-97140.5173.4-59.7-177.2-178.5175.72110.4E65 Q76E65-R67 HydrophobicContact CG-CG 4.28Å; E65-R67 IonicContact OE1-CZ 3.14Å; E65-R67 IonicContact OE1-NE 3.54Å; E65-R67 PolarHBondContact OE1-NE 2.83Å; E65-R67 IonicContact OE1-NH2 3.42Å; E65-R67 PolarHBondContact OE1-NH2 2.76Å; E65-R67 IonicContact OE2-NH2 3.51Å; R67-Q76 HydrophobicContact CB-CB 4.3Å; R67-Q76 PolarHBondContact N-O 2.82Å; R67-Q76 PolarHBondContact O-N 2.66Å
68Q81.1Confident86Confident101 Ų10165.6 Ų65.647%0.47236%0.359SS..EExtended strand (participates in β ladder)trans-138.6113.6178.2-1731695.100108.2
69D77.3Confident86.1Confident92 Ų9267.4 Ų67.449%0.49237%0.369SS..EExtended strand (participates in β ladder)trans-95.1112.6176.8-71.8-29.3000109S71 S72 S73 S74D69-S71 VanDerWaalsContact C-N 3.27Å; D69-S71 PolarHBondContact O-N 2.88Å; D69-S72 WeakPolarHBondContact CB-OG 3.38Å; D69-S73 PolarHBondContact O-N 2.9Å; D69-S74 PolarHBondContact N-O 2.76Å; D69-S74 PolarHBondContact O-N 2.79Å
70L66.6Low86.2Confident169 Ų16968.7 Ų68.789%0.88537%0.37SS*.THydrogen-bonded Turntrans-68.6-25.3-178.2-75.4142.5000112.6
71S66.9Low86.2Confident121 Ų12166.2 Ų66.285%0.84636%0.359SS*.THydrogen-bonded Turntrans-81-29.7-178.8560000114.1D69D69-S71 VanDerWaalsContact C-N 3.27Å; D69-S71 PolarHBondContact O-N 2.88Å
72S66.1Low86.2Confident46 Ų4668 Ų6832%0.32236%0.364SS..THydrogen-bonded Turntrans-111.51.9-174.1530000113.7D69 S74D69-S72 WeakPolarHBondContact CB-OG 3.38Å; S72-S74 PolarHBondContact O-N 2.8Å; S72-S74 VanDerWaalsContact O-N 3.16Å; S72-S74 PolarHBondContact OG-OG 2.82Å
73S72.6Confident86.2Confident97 Ų9769.3 Ų69.368%0.67837%0.37SS*.THydrogen-bonded Turntrans51.731.4-173.566.80000113.3D69D69-S73 PolarHBondContact O-N 2.9Å
74S84.9Confident86.2Confident12 Ų1270 Ų708%0.08437%0.368CS..EExtended strand (participates in β ladder)trans-99.5135.6178.952.60000112.2D69 S72 Q99D69-S74 PolarHBondContact N-O 2.76Å; D69-S74 PolarHBondContact O-N 2.79Å; S72-S74 PolarHBondContact O-N 2.8Å; S72-S74 VanDerWaalsContact O-N 3.16Å; S72-S74 PolarHBondContact OG-OG 2.82Å; S74-Q99 CarbonylContact C-O 3.59Å; S74-Q99 WeakPolarHBondContact CA-O 3.46Å
75S88.6Confident86.2Confident26 Ų2668.2 Ų68.218%0.18236%0.359CS..EExtended strand (participates in β ladder)trans-119128.6170.869.20000109.8Q99S75-Q99 PolarHBondContact N-O 3.26Å; S75-Q99 PolarHBondContact O-N 3.31Å
76Q91.6Very high86.1Confident52 Ų5267.4 Ų67.424%0.24336%0.357CS..EExtended strand (participates in β ladder)trans-123.7132-179.9-174.9-178.350.700109.2R66 R67 L96 M97R66-Q76 CarbonylContact C-O 3.44Å; R66-Q76 WeakPolarHBondContact CA-O 3.5Å; R67-Q76 HydrophobicContact CB-CB 4.3Å; R67-Q76 PolarHBondContact N-O 2.82Å; R67-Q76 PolarHBondContact O-N 2.66Å; Q76-L96 HydrophobicContact CG-CD1 3.67Å; Q76-M97 CarbonylContact C-O 3.54Å; Q76-M97 WeakPolarHBondContact CA-O 3.5Å
77Y92.3Very high85.9Confident76 Ų7665.5 Ų65.530%0.29837%0.365SS..EExtended strand (participates in β ladder)trans-120.2126.1175.9-59-98000107.4E65 R66 L96 M97E65-Y77 CarbonylContact O-C 3.5Å; E65-Y77 WeakPolarHBondContact O-CA 3.12Å; R66-Y77 HydrophobicContact CB-CD1 4.11Å; R66-Y77 HydrophobicContact CB-CE1 4.26Å; R66-Y77 VanDerWaalsContact CD-CE1 3.41Å; R66-Y77 HydrophobicContact CG-CD1 3.83Å; R66-Y77 HydrophobicContact CG-CE1 3.56Å; R66-Y77 PolarHBondContact NE-OH 3.42Å; R66-Y77 PolarHBondContact NH2-OH 2.72Å; Y77-L96 CarbonylContact O-C 3.47Å; Y77-L96 WeakPolarHBondContact O-CA 3.38Å; Y77-M97 HydrophobicContact CD2-CE 3.57Å; Y77-M97 HydrophobicContact CE2-CE 4.03Å; Y77-M97 HydrophobicContact CG-CE 4.05Å; Y77-M97 PolarHBondContact N-O 3.42Å; Y77-M97 PolarHBondContact O-N 3.44Å
78S93.4Very high86Confident32 Ų3264 Ų6422%0.22437%0.366CS..EExtended strand (participates in β ladder)trans-123.814217557.60000110.2L64 E65 G95L64-S78 WeakPolarHBondContact CA-O 3.39Å; E65-S78 WeakPolarHBondContact CB-OG 3.21Å; E65-S78 PolarHBondContact N-O 3.06Å; E65-S78 PolarHBondContact O-N 3.38Å; E65-S78 PolarHBondContact O-OG 3.04Å; S78-G95 CarbonylContact C-O 3.46Å; S78-G95 VanDerWaalsContact CA-O 3.26Å; S78-G95 WeakPolarHBondContact CA-O 3.22Å
79V94.7Very high86.5Confident43 Ų4360.9 Ų60.926%0.26135%0.354SS..EExtended strand (participates in β ladder)trans-130.9123.3176.4178.70000107.3A63 L64 M93 L94 G95A63-V79 CarbonylContact O-C 3.53Å; A63-V79 WeakPolarHBondContact O-CA 3.47Å; L64-V79 HydrophobicContact CD2-CG2 3.75Å; L64-V79 HydrophobicContact CG-CG2 4.08Å; V79-M93 HydrophobicContact CG1-CE 4.07Å; V79-L94 CarbonylContact O-C 3.53Å; V79-L94 WeakPolarHBondContact O-CA 3.27Å; V79-G95 PolarHBondContact N-O 3.37Å; V79-G95 PolarHBondContact O-N 2.83Å
80E96Very high87.3Confident70 Ų7056.6 Ų56.633%0.32733%0.332SS..EExtended strand (participates in β ladder)trans-116.4130169.9175.8163.6-145.300107.5V62 A63 R92 M93 L94V62-E80 CarbonylContact C-O 3.47Å; V62-E80 VanDerWaalsContact CA-O 3.28Å; V62-E80 WeakPolarHBondContact CA-O 3.31Å; A63-E80 HydrophobicContact CB-CB 4.48Å; A63-E80 PolarHBondContact N-O 3.34Å; A63-E80 PolarHBondContact O-N 2.94Å; E80-R92 IonicContact OE1-CZ 3.87Å; E80-R92 IonicContact OE1-NE 3.65Å; E80-R92 IonicContact OE1-NH2 3.42Å; E80-R92 PolarHBondContact OE1-NH2 2.8Å; E80-M93 CarbonylContact C-O 3.58Å; E80-M93 WeakPolarHBondContact CA-O 3.34Å; E80-L94 HydrophobicContact CB-CD2 3.87Å; E80-L94 HydrophobicContact CG-CD2 3.6Å
81A95.6Very high88.6Confident17 Ų1750 Ų5014%0.1430%0.3CS..EExtended strand (participates in β ladder)trans-138.2131.2174.600000110.2S61 V62 R92 M93S61-A81 CarbonylContact O-C 3.5Å; S61-A81 WeakPolarHBondContact O-CA 3.42Å; V62-A81 HydrophobicContact CG1-CB 4.48Å; V62-A81 HydrophobicContact CG2-CB 4.09Å; A81-R92 CarbonylContact O-C 3.52Å; A81-R92 WeakPolarHBondContact O-CA 3.4Å; A81-M93 HydrophobicContact CB-CB 4.34Å; A81-M93 HydrophobicContact CB-CE 4.12Å; A81-M93 PolarHBondContact N-O 2.85Å; A81-M93 PolarHBondContact O-N 2.73Å
82E95.6Very high90Very high73 Ų7348.9 Ų48.934%0.34128%0.277SS..EExtended strand (participates in β ladder)trans-122.8132.7174.8-50.6-179144.100109L60 S61 S91 R92L60-E82 CarbonylContact C-O 3.47Å; L60-E82 VanDerWaalsContact CA-O 3.31Å; L60-E82 WeakPolarHBondContact CA-O 3.44Å; S61-E82 PolarHBondContact N-O 2.81Å; S61-E82 PolarHBondContact O-N 3.26Å; S61-E82 VanDerWaalsContact OG-CB 3.29Å; S61-E82 WeakPolarHBondContact OG-CB 3.33Å; S61-E82 PolarHBondContact OG-N 3.34Å; E82-S91 CarbonylContact C-O 3.49Å; E82-S91 WeakPolarHBondContact CA-O 3.31Å; E82-R92 HydrophobicContact CG-CB 4.42Å; E82-R92 HydrophobicContact CG-CG 4.04Å; E82-R92 WeakPolarHBondContact OE1-CD 3.47Å; E82-R92 IonicContact OE1-CZ 3.6Å; E82-R92 IonicContact OE1-NE 2.81Å; E82-R92 PolarHBondContact OE1-NE 2.74Å; E82-R92 VanDerWaalsContact OE1-NE 3.14Å; E82-R92 IonicContact OE1-NH1 3.49Å; E82-R92 IonicContact OE1-NH2 3.98Å
83L94.7Very high91.4Very high63 Ų6349.8 Ų49.833%0.3328%0.277SS..EExtended strand (participates in β ladder)trans-126.6128.4175.5174.266000107.9S59 L60 L85 V89 G90 S91S59-L83 CarbonylContact O-C 3.34Å; S59-L83 WeakPolarHBondContact O-CA 3.34Å; L60-L83 HydrophobicContact CB-CD1 4.47Å; L60-L83 HydrophobicContact CD1-CD1 4.31Å; L83-L85 HydrophobicContact CD1-CD1 4.43Å; L83-L85 HydrophobicContact CD1-CD2 4.37Å; L83-L85 HydrophobicContact CD1-CG 4.03Å; L83-L85 HydrophobicContact CD2-CD1 4.48Å; L83-L85 HydrophobicContact CG-CG 4.35Å; L83-V89 HydrophobicContact CD2-CG1 4.45Å; L83-G90 CarbonylContact O-C 3.57Å; L83-G90 WeakPolarHBondContact O-CA 3.34Å; L83-S91 PolarHBondContact N-O 2.75Å; L83-S91 PolarHBondContact O-N 2.78Å
84F94.3Very high92.6Very high35 Ų3548.1 Ų48.115%0.15426%0.26CS..EExtended strand (participates in β ladder)trans-133.2113.4173.5-179.2-111.4000109.4E56 T57 A58 S59 P86 R119E56-F84 HydrophobicContact CB-CE1 4.41Å; E56-F84 WeakPolarHBondContact OE2-CZ 3.47Å; T57-F84 WeakPolarHBondContact O-CD1 3.42Å; A58-F84 CarbonylContact C-O 3.59Å; A58-F84 VanDerWaalsContact CA-O 3.25Å; A58-F84 WeakPolarHBondContact CA-O 3.43Å; S59-F84 PolarHBondContact N-O 3.14Å; S59-F84 PolarHBondContact O-N 2.81Å; F84-P86 HydrophobicContact CD1-CG 4.2Å; F84-P86 HydrophobicContact CE1-CB 4.32Å; F84-P86 HydrophobicContact CE1-CG 3.72Å; F84-P86 HydrophobicContact CZ-CB 4.42Å; F84-P86 HydrophobicContact CZ-CG 4.29Å; F84-R119 HydrophobicContact CE2-CB 4.5Å; F84-R119 HydrophobicContact CE2-CG 3.62Å; F84-R119 HydrophobicContact CZ-CG 3.7Å
85L91.7Very high93.1Very high52 Ų5248.4 Ų48.427%0.27227%0.265SS..EExtended strand (participates in β ladder)trans-115.2104.7173-65.8178.3000107.7A58 L83 G87 L88 V89A58-L85 HydrophobicContact CB-CD2 3.97Å; L83-L85 HydrophobicContact CD1-CD1 4.43Å; L83-L85 HydrophobicContact CD1-CD2 4.37Å; L83-L85 HydrophobicContact CD1-CG 4.03Å; L83-L85 HydrophobicContact CD2-CD1 4.48Å; L83-L85 HydrophobicContact CG-CG 4.35Å; L85-G87 PolarHBondContact O-N 2.82Å; L85-L88 HydrophobicContact CB-CB 4.11Å; L85-L88 PolarHBondContact O-N 2.77Å; L85-V89 HydrophobicContact CB-CG1 3.99Å; L85-V89 HydrophobicContact CD1-CG1 3.81Å; L85-V89 HydrophobicContact CG-CG1 4.21Å; L85-V89 PolarHBondContact N-O 2.76Å; L85-V89 PolarHBondContact O-N 2.8Å; L85-V89 VanDerWaalsContact O-N 3.07Å
86P89.3Confident93.4Very high16 Ų1649.9 Ų49.910%0.10427%0.27CS..THydrogen-bonded Turntrans-55126.7-173-25.131.9000112.5F54 E56 F84 L88F54-P86 HydrophobicContact CB-CB 3.98Å; F54-P86 HydrophobicContact CB-CG 3.86Å; F54-P86 HydrophobicContact CG-CB 4.5Å; F54-P86 HydrophobicContact CG-CG 4.3Å; E56-P86 HydrophobicContact CB-CB 4.01Å; E56-P86 HydrophobicContact CB-CG 3.78Å; F84-P86 HydrophobicContact CD1-CG 4.2Å; F84-P86 HydrophobicContact CE1-CB 4.32Å; F84-P86 HydrophobicContact CE1-CG 3.72Å; F84-P86 HydrophobicContact CZ-CB 4.42Å; F84-P86 HydrophobicContact CZ-CG 4.29Å; P86-L88 PolarHBondContact O-N 2.75Å
87G84.3Confident93.6Very high49 Ų4950.9 Ų50.951%0.50528%0.276SS..THydrogen-bonded Turntrans750.7178.800000115.3L85 R115 S118L85-G87 PolarHBondContact O-N 2.82Å; G87-R115 WeakPolarHBondContact O-CA 3.47Å; G87-S118 PolarHBondContact N-OG 3.5Å
88L88.6Confident93.6Very high102 Ų10249.8 Ų49.853%0.53427%0.273SS..THydrogen-bonded Turntrans-118.6-63.4179.5-67.9176.6000112.2L85 P86 R115L85-L88 HydrophobicContact CB-CB 4.11Å; L85-L88 PolarHBondContact O-N 2.77Å; P86-L88 PolarHBondContact O-N 2.75Å; L88-R115 PolarHBondContact O-N 2.73Å
89V92.3Very high93.5Very high36 Ų3650.9 Ų50.922%0.21828%0.275CS..EExtended strand (participates in β ladder)trans-156.5136.1-174.658.90000111.4L83 L85 G113 L114L83-V89 HydrophobicContact CD2-CG1 4.45Å; L85-V89 HydrophobicContact CB-CG1 3.99Å; L85-V89 HydrophobicContact CD1-CG1 3.81Å; L85-V89 HydrophobicContact CG-CG1 4.21Å; L85-V89 PolarHBondContact N-O 2.76Å; L85-V89 PolarHBondContact O-N 2.8Å; L85-V89 VanDerWaalsContact O-N 3.07Å; V89-G113 WeakPolarHBondContact CA-O 3.4Å; V89-L114 HydrophobicContact CB-CD2 4.32Å; V89-L114 HydrophobicContact CG2-CD2 4.02Å
90G93.6Very high93.3Very high2 Ų254.4 Ų54.42%0.02129%0.287CS..EExtended strand (participates in β ladder)trans-114.8140.7161.300000109.4L83 Y112 G113 S118 L121L83-G90 CarbonylContact O-C 3.57Å; L83-G90 WeakPolarHBondContact O-CA 3.34Å; G90-Y112 CarbonylContact O-C 3.53Å; G90-Y112 WeakPolarHBondContact O-CA 3.46Å; G90-Y112 WeakPolarHBondContact O-CB 3.36Å; G90-G113 PolarHBondContact N-O 2.84Å; G90-G113 PolarHBondContact O-N 2.05Å; G90-S118 VanDerWaalsContact CA-O 3.3Å; G90-S118 WeakPolarHBondContact CA-O 3.3Å; G90-L121 WeakPolarHBondContact O-CD2 3.01Å
91S94.4Very high92.8Very high30 Ų3053.2 Ų53.221%0.2129%0.293CS..EExtended strand (participates in β ladder)trans-148141.5176.9-176.70000110.9E82 L83 K111E82-S91 CarbonylContact C-O 3.49Å; E82-S91 WeakPolarHBondContact CA-O 3.31Å; L83-S91 PolarHBondContact N-O 2.75Å; L83-S91 PolarHBondContact O-N 2.78Å; S91-K111 CarbonylContact C-O 3.49Å; S91-K111 VanDerWaalsContact CA-O 3.25Å; S91-K111 WeakPolarHBondContact CA-O 3.29Å
92R95.3Very high92.5Very high97 Ų9754.9 Ų54.937%0.36631%0.307SS..EExtended strand (participates in β ladder)trans-131.4117.7170.4177.6167.1-172.2-175.56108.9E80 A81 E82 V110 K111 L121E80-R92 IonicContact OE1-CZ 3.87Å; E80-R92 IonicContact OE1-NE 3.65Å; E80-R92 IonicContact OE1-NH2 3.42Å; E80-R92 PolarHBondContact OE1-NH2 2.8Å; A81-R92 CarbonylContact O-C 3.52Å; A81-R92 WeakPolarHBondContact O-CA 3.4Å; E82-R92 HydrophobicContact CG-CB 4.42Å; E82-R92 HydrophobicContact CG-CG 4.04Å; E82-R92 WeakPolarHBondContact OE1-CD 3.47Å; E82-R92 IonicContact OE1-CZ 3.6Å; E82-R92 IonicContact OE1-NE 2.81Å; E82-R92 PolarHBondContact OE1-NE 2.74Å; E82-R92 VanDerWaalsContact OE1-NE 3.14Å; E82-R92 IonicContact OE1-NH1 3.49Å; E82-R92 IonicContact OE1-NH2 3.98Å; R92-V110 CarbonylContact O-C 3.53Å; R92-V110 WeakPolarHBondContact O-CA 3.21Å; R92-K111 PolarHBondContact N-O 2.8Å; R92-K111 PolarHBondContact O-N 2.81Å; R92-L121 HydrophobicContact CB-CD1 3.75Å
93M96.1Very high92.3Very high65 Ų6552.9 Ų52.932%0.3230%0.298SS..EExtended strand (participates in β ladder)trans-109.8129.5178.5-178.9174.783.300110V79 E80 A81 L108 R109 V110V79-M93 HydrophobicContact CG1-CE 4.07Å; E80-M93 CarbonylContact C-O 3.58Å; E80-M93 WeakPolarHBondContact CA-O 3.34Å; A81-M93 HydrophobicContact CB-CB 4.34Å; A81-M93 HydrophobicContact CB-CE 4.12Å; A81-M93 PolarHBondContact N-O 2.85Å; A81-M93 PolarHBondContact O-N 2.73Å; M93-L108 HydrophobicContact CG-CD1 3.55Å; M93-L108 HydrophobicContact SD-CD1 3.83Å; M93-R109 CarbonylContact C-O 3.57Å; M93-R109 WeakPolarHBondContact CA-O 3.4Å; M93-V110 HydrophobicContact CB-CG2 4.37Å; M93-V110 HydrophobicContact CG-CG2 3.99Å; M93-V110 HydrophobicContact SD-CG2 4.48Å
94L96.6Very high92.3Very high63 Ų6353.1 Ų53.133%0.3330%0.295SS..EExtended strand (participates in β ladder)trans-125.5114.1173.9-63.7172.9000108.2V79 E80 L108 R109V79-L94 CarbonylContact O-C 3.53Å; V79-L94 WeakPolarHBondContact O-CA 3.27Å; E80-L94 HydrophobicContact CB-CD2 3.87Å; E80-L94 HydrophobicContact CG-CD2 3.6Å; L94-L108 CarbonylContact O-C 3.59Å; L94-L108 WeakPolarHBondContact O-CA 3.4Å; L94-R109 HydrophobicContact CB-CB 4.49Å; L94-R109 PolarHBondContact N-O 2.78Å; L94-R109 PolarHBondContact O-N 2.77Å
95G95.8Very high92.4Very high17 Ų1752.4 Ų52.418%0.17529%0.294CS..EExtended strand (participates in β ladder)trans-113.8135.4175.600000110.7S78 V79 I107S78-G95 CarbonylContact C-O 3.46Å; S78-G95 VanDerWaalsContact CA-O 3.26Å; S78-G95 WeakPolarHBondContact CA-O 3.22Å; V79-G95 PolarHBondContact N-O 3.37Å; V79-G95 PolarHBondContact O-N 2.83Å; G95-I107 CarbonylContact C-O 3.6Å; G95-I107 WeakPolarHBondContact CA-O 3.42Å
96L95.5Very high92.6Very high57 Ų5751.5 Ų51.530%0.29829%0.292SS..EExtended strand (participates in β ladder)trans-135.8123.3174.6-173.870.5000109.3Q76 Y77 S106 I107Q76-L96 HydrophobicContact CG-CD1 3.67Å; Y77-L96 CarbonylContact O-C 3.47Å; Y77-L96 WeakPolarHBondContact O-CA 3.38Å; L96-S106 CarbonylContact O-C 3.52Å; L96-S106 WeakPolarHBondContact O-CA 3.26Å; L96-I107 PolarHBondContact N-O 2.87Å; L96-I107 PolarHBondContact O-N 2.73Å
97M94.9Very high93Very high74 Ų7453.6 Ų53.637%0.36530%0.302SS..EExtended strand (participates in β ladder)trans-121.2124.7172.1-174.8177.768.900109Q76 Y77 W104 S105Q76-M97 CarbonylContact C-O 3.54Å; Q76-M97 WeakPolarHBondContact CA-O 3.5Å; Y77-M97 HydrophobicContact CD2-CE 3.57Å; Y77-M97 HydrophobicContact CE2-CE 4.03Å; Y77-M97 HydrophobicContact CG-CE 4.05Å; Y77-M97 PolarHBondContact N-O 3.42Å; Y77-M97 PolarHBondContact O-N 3.44Å; M97-W104 HydrophobicContact SD-CZ2 4.39Å; M97-S105 CarbonylContact C-O 3.57Å; M97-S105 WeakPolarHBondContact CA-O 3.1Å
98E93.3Very high93.6Very high52 Ų5254.1 Ų54.124%0.24329%0.293CS..EExtended strand (participates in β ladder)trans-126.2132.2-177.8-171.6-177.2170.500110.1W104 S105E98-W104 CarbonylContact O-C 3.53Å; E98-W104 WeakPolarHBondContact O-CA 3.47Å; E98-S105 PolarHBondContact N-O 2.79Å; E98-S105 PolarHBondContact O-N 3.39Å
99Q90.8Very high93.9Very high56 Ų5654.3 Ų54.326%0.26229%0.286SS..EExtended strand (participates in β ladder)trans-116.3116.8167.7-177.570.339.200107.4S74 S75 G101 L103S74-Q99 CarbonylContact C-O 3.59Å; S74-Q99 WeakPolarHBondContact CA-O 3.46Å; S75-Q99 PolarHBondContact N-O 3.26Å; S75-Q99 PolarHBondContact O-N 3.31Å; Q99-G101 PolarHBondContact NE2-O 3.19Å; Q99-L103 PolarHBondContact NE2-O 3.18Å
100K90.2Very high94.1Very high117 Ų11754.3 Ų54.351%0.50929%0.286SS..EExtended strand (participates in β ladder)trans-129.698.1178.5-175172.7-177.2171.80109.7A102 L103K100-A102 PolarHBondContact O-N 3.29Å; K100-A102 VanDerWaalsContact O-N 3.13Å; K100-L103 PolarHBondContact N-O 3.17Å; K100-L103 WeakPolarHBondContact O-CB 3.05Å; K100-L103 PolarHBondContact O-N 3.26Å
101G86.8Confident94.2Very high44 Ų4457.8 Ų57.845%0.45430%0.301SS..THydrogen-bonded Turntrans56.2-117-172.900000111Q99Q99-G101 PolarHBondContact NE2-O 3.19Å
102A87.7Confident94.1Very high52 Ų5258.5 Ų58.543%0.4330%0.299SS..THydrogen-bonded Turntrans-93.55.3-179.600000114.7K100 R133K100-A102 PolarHBondContact O-N 3.29Å; K100-A102 VanDerWaalsContact O-N 3.13Å; A102-R133 WeakPolarHBondContact CB-O 3.23Å; A102-R133 PolarHBondContact O-N 2.79Å
103L92.3Very high94Very high32 Ų3254 Ų5417%0.16828%0.283CS..EExtended strand (participates in β ladder)trans-97127.5171.7177.668.2000109.9Q99 K100 R130 R132Q99-L103 PolarHBondContact NE2-O 3.18Å; K100-L103 PolarHBondContact N-O 3.17Å; K100-L103 WeakPolarHBondContact O-CB 3.05Å; K100-L103 PolarHBondContact O-N 3.26Å; L103-R130 HydrophobicContact CD1-CG 3.62Å; L103-R132 HydrophobicContact CD1-CB 3.96Å; L103-R132 HydrophobicContact CD1-CG 4.44Å
104W94.8Very high93.6Very high68 Ų6855.8 Ų55.826%0.25829%0.293SS..EExtended strand (participates in β ladder)trans-115.1136.6165.8178.282.5000108.5M97 E98 Q129 R130 L131M97-W104 HydrophobicContact SD-CZ2 4.39Å; E98-W104 CarbonylContact O-C 3.53Å; E98-W104 WeakPolarHBondContact O-CA 3.47Å; W104-Q129 HydrophobicContact CH2-CB 4.24Å; W104-Q129 HydrophobicContact CZ3-CB 3.79Å; W104-R130 CarbonylContact O-C 3.56Å; W104-R130 WeakPolarHBondContact O-CA 3.48Å; W104-L131 HydrophobicContact CB-CB 4.45Å; W104-L131 HydrophobicContact CE3-CB 4.07Å; W104-L131 PolarHBondContact N-O 2.86Å; W104-L131 PolarHBondContact O-N 2.85Å
105S96Very high93.1Very high20 Ų2062.1 Ų62.114%0.1431%0.313CS..EExtended strand (participates in β ladder)trans-141.7145.1172.450.30000111.8M97 E98 Q129M97-S105 CarbonylContact C-O 3.57Å; M97-S105 WeakPolarHBondContact CA-O 3.1Å; E98-S105 PolarHBondContact N-O 2.79Å; E98-S105 PolarHBondContact O-N 3.39Å; S105-Q129 CarbonylContact C-O 3.58Å; S105-Q129 WeakPolarHBondContact CA-O 3.14Å
106S96.5Very high92.2Very high32 Ų3265 Ų6522%0.22434%0.343CS..EExtended strand (participates in β ladder)trans-134.7130.3176.5-177.20000109L96 S128 Q129L96-S106 CarbonylContact O-C 3.52Å; L96-S106 WeakPolarHBondContact O-CA 3.26Å; S106-S128 CarbonylContact O-C 3.52Å; S106-S128 WeakPolarHBondContact O-CA 3.18Å; S106-Q129 PolarHBondContact N-O 3.43Å; S106-Q129 PolarHBondContact O-N 2.84Å
107I96.8Very high91.5Very high60 Ų6066.5 Ų66.531%0.30835%0.351SS..EExtended strand (participates in β ladder)trans-129.5129.8176.9-60.9174.3000107.2G95 L96 Y126 T127G95-I107 CarbonylContact C-O 3.6Å; G95-I107 WeakPolarHBondContact CA-O 3.42Å; L96-I107 PolarHBondContact N-O 2.87Å; L96-I107 PolarHBondContact O-N 2.73Å; I107-Y126 HydrophobicContact CG2-CD2 4.34Å; I107-Y126 HydrophobicContact CG2-CE2 3.55Å; I107-T127 CarbonylContact C-O 3.47Å; I107-T127 WeakPolarHBondContact CA-O 3.34Å
108L96.6Very high90.8Very high61 Ų6163.4 Ų63.432%0.31934%0.337SS..EExtended strand (participates in β ladder)trans-132.2121.717317272000108.7M93 L94 V110 Y126 T127M93-L108 HydrophobicContact CG-CD1 3.55Å; M93-L108 HydrophobicContact SD-CD1 3.83Å; L94-L108 CarbonylContact O-C 3.59Å; L94-L108 WeakPolarHBondContact O-CA 3.4Å; L108-V110 HydrophobicContact CD1-CG2 4.26Å; L108-V110 HydrophobicContact CG-CG2 4.2Å; L108-Y126 CarbonylContact O-C 3.49Å; L108-Y126 WeakPolarHBondContact O-CA 3.27Å; L108-T127 HydrophobicContact CB-CG2 3.59Å; L108-T127 HydrophobicContact CD2-CG2 4.16Å; L108-T127 HydrophobicContact CG-CG2 4.26Å; L108-T127 PolarHBondContact N-O 2.72Å; L108-T127 PolarHBondContact O-N 2.77Å
109R96.4Very high90.2Very high105 Ų10568.9 Ų68.940%0.39636%0.355SS..EExtended strand (participates in β ladder)trans-119.2122.7177.1175.3177.8-84166.2-0.2108.6M93 L94 K111 E124 C125 Y126M93-R109 CarbonylContact C-O 3.57Å; M93-R109 WeakPolarHBondContact CA-O 3.4Å; L94-R109 HydrophobicContact CB-CB 4.49Å; L94-R109 PolarHBondContact N-O 2.78Å; L94-R109 PolarHBondContact O-N 2.77Å; R109-K111 HydrophobicContact CG-CG 4.46Å; R109-E124 VanDerWaalsContact CD-OE1 3.31Å; R109-E124 WeakPolarHBondContact CD-OE1 3.35Å; R109-E124 HydrophobicContact CG-CG 4.43Å; R109-E124 WeakPolarHBondContact CG-OE1 3.17Å; R109-E124 IonicContact CZ-OE1 3.53Å; R109-E124 IonicContact NE-OE1 3.57Å; R109-E124 PolarHBondContact NE-OE1 2.77Å; R109-E124 IonicContact NH2-OE1 2.69Å; R109-C125 CarbonylContact C-O 3.49Å; R109-C125 WeakPolarHBondContact CA-O 3.39Å; R109-Y126 HydrophobicContact CB-CD2 4.3Å
110V95.6Very high89.9Confident36 Ų3670.5 Ų70.522%0.21837%0.365CS..EExtended strand (participates in β ladder)trans-121112.3177.6-177.30000107.8R92 M93 L108 E124 C125R92-V110 CarbonylContact O-C 3.53Å; R92-V110 WeakPolarHBondContact O-CA 3.21Å; M93-V110 HydrophobicContact CB-CG2 4.37Å; M93-V110 HydrophobicContact CG-CG2 3.99Å; M93-V110 HydrophobicContact SD-CG2 4.48Å; L108-V110 HydrophobicContact CD1-CG2 4.26Å; L108-V110 HydrophobicContact CG-CG2 4.2Å; V110-E124 CarbonylContact O-C 3.51Å; V110-E124 WeakPolarHBondContact O-CA 3.34Å; V110-C125 PolarHBondContact N-O 2.86Å; V110-C125 PolarHBondContact O-N 3.01Å
111K95.1Very high89.8Confident75 Ų7567.6 Ų67.633%0.32636%0.355SS..EExtended strand (participates in β ladder)trans-99.9135.8169.9-62.6-165.7174.5-153.50109.2S91 R92 R109 L121 Q123 E124S91-K111 CarbonylContact C-O 3.49Å; S91-K111 VanDerWaalsContact CA-O 3.25Å; S91-K111 WeakPolarHBondContact CA-O 3.29Å; R92-K111 PolarHBondContact N-O 2.8Å; R92-K111 PolarHBondContact O-N 2.81Å; R109-K111 HydrophobicContact CG-CG 4.46Å; K111-L121 HydrophobicContact CB-CB 3.93Å; K111-L121 HydrophobicContact CB-CD1 4.13Å; K111-Q123 CarbonylContact C-O 3.55Å; K111-Q123 VanDerWaalsContact CA-O 3.25Å; K111-Q123 WeakPolarHBondContact CA-O 3.28Å; K111-E124 WeakPolarHBondContact CE-OE2 3.4Å; K111-E124 HydrophobicContact CG-CB 4.38Å; K111-E124 HydrophobicContact CG-CG 4.18Å; K111-E124 IonicContact NZ-OE2 3.78Å; K111-E124 PolarHBondContact NZ-OE2 3.39Å
112Y93.3Very high89.7Confident46 Ų4671.8 Ų71.818%0.1836%0.363CS..EExtended strand (participates in β ladder)trans-144.3157.8-178.166.3-83.1000112.7G90 L114 Q123 N153G90-Y112 CarbonylContact O-C 3.53Å; G90-Y112 WeakPolarHBondContact O-CA 3.46Å; G90-Y112 WeakPolarHBondContact O-CB 3.36Å; Y112-L114 HydrophobicContact CD2-CG 4.24Å; Y112-L114 HydrophobicContact CE2-CD1 4.36Å; Y112-Q123 HydrophobicContact CD1-CB 3.95Å; Y112-Q123 HydrophobicContact CD2-CB 3.91Å; Y112-Q123 HydrophobicContact CD2-CG 4.41Å; Y112-Q123 HydrophobicContact CE1-CB 3.63Å; Y112-Q123 HydrophobicContact CE2-CB 3.59Å; Y112-Q123 HydrophobicContact CE2-CG 3.96Å; Y112-Q123 HydrophobicContact CG-CB 4.07Å; Y112-Q123 VanDerWaalsContact CZ-CB 3.44Å; Y112-Q123 PolarHBondContact N-O 2.87Å; Y112-Q123 WeakPolarHBondContact O-CB 3.17Å; Y112-Q123 PolarHBondContact O-N 2.7Å; Y112-Q123 VanDerWaalsContact O-N 3.16Å; Y112-N153 PolarHBondContact OH-ND2 3.04Å; Y112-N153 VanDerWaalsContact OH-ND2 3.07Å
113G92.3Very high89.9Confident2 Ų271.7 Ų71.72%0.02135%0.353CS..EExtended strand (participates in β ladder)trans-139.5141.7173.600000109V89 G90V89-G113 WeakPolarHBondContact CA-O 3.4Å; G90-G113 PolarHBondContact N-O 2.84Å; G90-G113 PolarHBondContact O-N 2.05Å
114L89Confident89.9Confident102 Ų10272 Ų7253%0.53435%0.354SS..EExtended strand (participates in β ladder)trans-117.2143-176.5-63.3172.6000110V89 Y112 G116 D117V89-L114 HydrophobicContact CB-CD2 4.32Å; V89-L114 HydrophobicContact CG2-CD2 4.02Å; Y112-L114 HydrophobicContact CD2-CG 4.24Å; Y112-L114 HydrophobicContact CE2-CD1 4.36Å; L114-G116 PolarHBondContact O-N 2.75Å; L114-D117 PolarHBondContact O-N 2.81Å
115R85.2Confident89.8Confident196 Ų19670 Ų7074%0.7435%0.35SS*.G310 helixtrans55.2-122.5174.8-59.6-179.5174.1-173.1-2.1113.3G87 L88 D117 S118G87-R115 WeakPolarHBondContact O-CA 3.47Å; L88-R115 PolarHBondContact O-N 2.73Å; R115-D117 PolarHBondContact O-N 2.75Å; R115-S118 VanDerWaalsContact O-CB 3.3Å; R115-S118 WeakPolarHBondContact O-CB 3.43Å; R115-S118 PolarHBondContact O-N 2.8Å; R115-S118 PolarHBondContact O-OG 2.84Å
116G77.3Confident89.7Confident78 Ų7871.3 Ų71.380%0.80435%0.353SS*.G310 helixtrans-59.9-24.3-176.100000113.9L114L114-G116 PolarHBondContact O-N 2.75Å
117D80.1Confident89.6Confident89 Ų8971.3 Ų71.348%0.47635%0.351SS..G310 helixtrans-97.920177.5-70-36000112.9L114 R115 R119 N120L114-D117 PolarHBondContact O-N 2.81Å; R115-D117 PolarHBondContact O-N 2.75Å; D117-R119 PolarHBondContact O-N 2.9Å; D117-N120 CarbonylContact O-C 3.54Å; D117-N120 PolarHBondContact O-N 3.4Å
118S80.8Confident89.6Confident9 Ų969.4 Ų69.46%0.06334%0.343CS..THydrogen-bonded Turntrans-58.8-20.4-177.967.50000114.2G87 G90 R115G87-S118 PolarHBondContact N-OG 3.5Å; G90-S118 VanDerWaalsContact CA-O 3.3Å; G90-S118 WeakPolarHBondContact CA-O 3.3Å; R115-S118 VanDerWaalsContact O-CB 3.3Å; R115-S118 WeakPolarHBondContact O-CB 3.43Å; R115-S118 PolarHBondContact O-N 2.8Å; R115-S118 PolarHBondContact O-OG 2.84Å
119R80.9Confident89.6Confident167 Ų16770 Ų7063%0.6334%0.344SS*.THydrogen-bonded Turntrans-86.1-28.5172.7-84.1-174.5174.2-157.4-2.5113.6E56 F84 D117E56-R119 IonicContact OE1-CZ 3.34Å; E56-R119 IonicContact OE1-NE 3.41Å; E56-R119 PolarHBondContact OE1-NE 2.81Å; E56-R119 IonicContact OE1-NH2 3.11Å; E56-R119 PolarHBondContact OE1-NH2 3.27Å; E56-R119 VanDerWaalsContact OE1-NH2 3.11Å; E56-R119 IonicContact OE2-CZ 3.18Å; E56-R119 IonicContact OE2-NE 2.87Å; E56-R119 PolarHBondContact OE2-NE 2.95Å; E56-R119 IonicContact OE2-NH2 2.74Å; E56-R119 PolarHBondContact OE2-NH2 3.14Å; F84-R119 HydrophobicContact CE2-CB 4.5Å; F84-R119 HydrophobicContact CE2-CG 3.62Å; F84-R119 HydrophobicContact CZ-CG 3.7Å; D117-R119 PolarHBondContact O-N 2.9Å
120N84.9Confident89.6Confident89 Ų8970.8 Ų70.848%0.47635%0.347SS..SBendtrans-101.996.2-175.2-63.5-29.1000109.1D117 H122D117-N120 CarbonylContact O-C 3.54Å; D117-N120 PolarHBondContact O-N 3.4Å; N120-H122 WeakPolarHBondContact CB-NE2 3.35Å; N120-H122 PolarHBondContact O-N 2.86Å
121L87.4Confident89.6Confident57 Ų5771.2 Ų71.230%0.29835%0.348SS..  trans-75.264.4-176.9-51.1179000112G90 R92 K111 Q123G90-L121 WeakPolarHBondContact O-CD2 3.01Å; R92-L121 HydrophobicContact CB-CD1 3.75Å; K111-L121 HydrophobicContact CB-CB 3.93Å; K111-L121 HydrophobicContact CB-CD1 4.13Å; L121-Q123 VanDerWaalsContact C-N 3.32Å; L121-Q123 PolarHBondContact O-N 3.22Å
122H86Confident89.6Confident131 Ų13174.3 Ų74.361%0.60636%0.358SS*.  trans-71.3-24.4-177.2-70.6-56.3000113.6N120N120-H122 WeakPolarHBondContact CB-NE2 3.35Å; N120-H122 PolarHBondContact O-N 2.86Å
123Q91Very high89.6Confident51 Ų5177.7 Ų77.724%0.23837%0.37CS..EExtended strand (participates in β ladder)trans-93.4136.9-177.5-54.8-63.2-28.900110.2K111 Y112 L121 N153K111-Q123 CarbonylContact C-O 3.55Å; K111-Q123 VanDerWaalsContact CA-O 3.25Å; K111-Q123 WeakPolarHBondContact CA-O 3.28Å; Y112-Q123 HydrophobicContact CD1-CB 3.95Å; Y112-Q123 HydrophobicContact CD2-CB 3.91Å; Y112-Q123 HydrophobicContact CD2-CG 4.41Å; Y112-Q123 HydrophobicContact CE1-CB 3.63Å; Y112-Q123 HydrophobicContact CE2-CB 3.59Å; Y112-Q123 HydrophobicContact CE2-CG 3.96Å; Y112-Q123 HydrophobicContact CG-CB 4.07Å; Y112-Q123 VanDerWaalsContact CZ-CB 3.44Å; Y112-Q123 PolarHBondContact N-O 2.87Å; Y112-Q123 WeakPolarHBondContact O-CB 3.17Å; Y112-Q123 PolarHBondContact O-N 2.7Å; Y112-Q123 VanDerWaalsContact O-N 3.16Å; L121-Q123 VanDerWaalsContact C-N 3.32Å; L121-Q123 PolarHBondContact O-N 3.22Å; Q123-N153 PolarHBondContact OE1-ND2 2.85Å; Q123-N153 PolarHBondContact OE1-OD1 2.68Å
124E92.3Very high89.4Confident38 Ų3879 Ų7918%0.17838%0.384CS..EExtended strand (participates in β ladder)trans-132.7136.7180-177.5168.3177.400110.9R109 V110 K111 C151 T152R109-E124 VanDerWaalsContact CD-OE1 3.31Å; R109-E124 WeakPolarHBondContact CD-OE1 3.35Å; R109-E124 HydrophobicContact CG-CG 4.43Å; R109-E124 WeakPolarHBondContact CG-OE1 3.17Å; R109-E124 IonicContact CZ-OE1 3.53Å; R109-E124 IonicContact NE-OE1 3.57Å; R109-E124 PolarHBondContact NE-OE1 2.77Å; R109-E124 IonicContact NH2-OE1 2.69Å; V110-E124 CarbonylContact O-C 3.51Å; V110-E124 WeakPolarHBondContact O-CA 3.34Å; K111-E124 WeakPolarHBondContact CE-OE2 3.4Å; K111-E124 HydrophobicContact CG-CB 4.38Å; K111-E124 HydrophobicContact CG-CG 4.18Å; K111-E124 IonicContact NZ-OE2 3.78Å; K111-E124 PolarHBondContact NZ-OE2 3.39Å; E124-C151 WeakPolarHBondContact O-CA 3.46Å; E124-T152 PolarHBondContact N-OG1 2.82Å; E124-T152 PolarHBondContact O-N 2.85Å; E124-T152 PolarHBondContact O-OG1 3.35Å; E124-T152 VanDerWaalsContact O-OG1 3.06Å
125C92.7Very high89.2Confident27 Ų2783.2 Ų83.218%0.18239%0.393CS..EExtended strand (participates in β ladder)trans-120.8131.1164.1-81.40000109R109 V110 Y150 C151R109-C125 CarbonylContact C-O 3.49Å; R109-C125 WeakPolarHBondContact CA-O 3.39Å; V110-C125 PolarHBondContact N-O 2.86Å; V110-C125 PolarHBondContact O-N 3.01Å; C125-Y150 CarbonylContact C-O 3.42Å; C125-Y150 VanDerWaalsContact CA-O 3.26Å; C125-Y150 WeakPolarHBondContact CA-O 3.47Å; C125-C151 HydrophobicContact CB-CB 4.29Å; C125-C151 WeakPolarHBondContact CB-SG 3.26Å; C125-C151 WeakPolarHBondContact SG-CB 3.43Å; C125-C151 CovalentContact SG-SG 2.05Å; C125-C151 PolarHBondContact SG-SG 2.77Å
126Y93.1Very high89Confident47 Ų4777.9 Ų77.918%0.18438%0.379CS..EExtended strand (participates in β ladder)trans-133.3129.9-175.4172.1-98.7000108.9I107 L108 R109 S128 E148 F149 Y150I107-Y126 HydrophobicContact CG2-CD2 4.34Å; I107-Y126 HydrophobicContact CG2-CE2 3.55Å; L108-Y126 CarbonylContact O-C 3.49Å; L108-Y126 WeakPolarHBondContact O-CA 3.27Å; R109-Y126 HydrophobicContact CB-CD2 4.3Å; Y126-S128 VanDerWaalsContact OH-CB 3.31Å; Y126-S128 WeakPolarHBondContact OH-CB 3.24Å; Y126-S128 PolarHBondContact OH-OG 3.39Å; Y126-E148 HydrophobicContact CE1-CB 4.38Å; Y126-F149 WeakPolarHBondContact O-CA 3.27Å; Y126-Y150 PolarHBondContact N-O 2.82Å; Y126-Y150 PolarHBondContact O-N 2.82Å
127T95.5Very high88.9Confident32 Ų3279 Ų7920%0.19638%0.375CS..EExtended strand (participates in β ladder)trans-128.3133.7169.3178.60000109.5I107 L108 H147 E148I107-T127 CarbonylContact C-O 3.47Å; I107-T127 WeakPolarHBondContact CA-O 3.34Å; L108-T127 HydrophobicContact CB-CG2 3.59Å; L108-T127 HydrophobicContact CD2-CG2 4.16Å; L108-T127 HydrophobicContact CG-CG2 4.26Å; L108-T127 PolarHBondContact N-O 2.72Å; L108-T127 PolarHBondContact O-N 2.77Å; T127-H147 PolarHBondContact OG1-CE1 2.74Å; T127-E148 CarbonylContact C-O 3.48Å; T127-E148 VanDerWaalsContact CA-O 3.27Å; T127-E148 WeakPolarHBondContact CA-O 3.26Å
128S96Very high88.8Confident20 Ų2080.7 Ų80.714%0.1438%0.384CS..EExtended strand (participates in β ladder)trans-126.9137.9173.6-160.40000109.2S106 Y126 H147 E148S106-S128 CarbonylContact O-C 3.52Å; S106-S128 WeakPolarHBondContact O-CA 3.18Å; Y126-S128 VanDerWaalsContact OH-CB 3.31Å; Y126-S128 WeakPolarHBondContact OH-CB 3.24Å; Y126-S128 PolarHBondContact OH-OG 3.39Å; S128-H147 CarbonylContact O-C 3.59Å; S128-H147 WeakPolarHBondContact O-CA 3.33Å; S128-H147 PolarHBondContact O-ND1 3.17Å; S128-E148 PolarHBondContact N-O 3.35Å; S128-E148 PolarHBondContact O-N 3.02Å
129Q96.8Very high88.9Confident74 Ų7486.5 Ų86.535%0.34641%0.413SS..EExtended strand (participates in β ladder)trans-135.9131.9175.5-66.3176.8-1500107.8W104 S105 S106 D146 H147W104-Q129 HydrophobicContact CH2-CB 4.24Å; W104-Q129 HydrophobicContact CZ3-CB 3.79Å; S105-Q129 CarbonylContact C-O 3.58Å; S105-Q129 WeakPolarHBondContact CA-O 3.14Å; S106-Q129 PolarHBondContact N-O 3.43Å; S106-Q129 PolarHBondContact O-N 2.84Å; Q129-D146 CarbonylContact C-O 3.58Å; Q129-D146 WeakPolarHBondContact CA-O 3.37Å; Q129-H147 WeakPolarHBondContact CG-ND1 3.42Å
130R96.8Very high89.2Confident121 Ų12179.3 Ų79.346%0.45739%0.388SS..EExtended strand (participates in β ladder)trans-136.6119.8177.7-168.7-176.9-176.1171.63.9109L103 W104 A145 D146L103-R130 HydrophobicContact CD1-CG 3.62Å; W104-R130 CarbonylContact O-C 3.56Å; W104-R130 WeakPolarHBondContact O-CA 3.48Å; R130-A145 CarbonylContact O-C 3.53Å; R130-A145 WeakPolarHBondContact O-CA 3.27Å; R130-D146 HydrophobicContact CB-CB 4.1Å; R130-D146 PolarHBondContact N-O 2.79Å; R130-D146 PolarHBondContact O-N 2.92Å
131L96.1Very high89.6Confident44 Ų4478.6 Ų78.623%0.2338%0.379CS..EExtended strand (participates in β ladder)trans-118.2114.2175.9178.966000109.2W104 R133 M143 R144 A145W104-L131 HydrophobicContact CB-CB 4.45Å; W104-L131 HydrophobicContact CE3-CB 4.07Å; W104-L131 PolarHBondContact N-O 2.86Å; W104-L131 PolarHBondContact O-N 2.85Å; L131-R133 HydrophobicContact CD1-CG 4.33Å; L131-R133 HydrophobicContact CG-CG 4.26Å; L131-M143 HydrophobicContact CD1-CG 3.89Å; L131-M143 HydrophobicContact CD1-SD 4.06Å; L131-R144 WeakPolarHBondContact CA-O 3.49Å; L131-A145 HydrophobicContact CD1-CB 4.03Å
132R94.6Very high89.9Confident140 Ų14076.8 Ų76.853%0.52837%0.37SS..EExtended strand (participates in β ladder)trans-111.1121.8172-171.9176.3179.4179.90.1109.1L103 M143 R144L103-R132 HydrophobicContact CD1-CB 3.96Å; L103-R132 HydrophobicContact CD1-CG 4.44Å; R132-M143 WeakPolarHBondContact O-CA 3.42Å; R132-R144 HydrophobicContact CB-CB 4.49Å; R132-R144 PolarHBondContact N-O 3.24Å; R132-R144 PolarHBondContact O-N 2.96Å
133R92.3Very high90.3Very high117 Ų11772 Ų7244%0.44235%0.348SS..EExtended strand (participates in β ladder)trans-112.3144.9171.9-66.3172.9-70.9-180-1.5108.3A102 L131 M143A102-R133 WeakPolarHBondContact CB-O 3.23Å; A102-R133 PolarHBondContact O-N 2.79Å; L131-R133 HydrophobicContact CD1-CG 4.33Å; L131-R133 HydrophobicContact CG-CG 4.26Å; R133-M143 HydrophobicContact CG-CG 4.23Å
134G89Confident90.6Very high31 Ų3173.6 Ų73.632%0.3235%0.352SS..EExtended strand (participates in β ladder)trans-170.1163.5177.500000111.6I142G134-I142 PolarHBondContact N-O 3.13Å; G134-I142 PolarHBondContact O-N 2.86Å
135R85.6Confident90.8Very high189 Ų18973.1 Ų73.171%0.71335%0.354SS*.EExtended strand (participates in β ladder)trans-108.7133.3162.9-70.4-175.4-178.2-167.2-0.7107.9T140R135-T140 VanDerWaalsContact CA-O 3.32Å; R135-T140 WeakPolarHBondContact CA-O 3.33Å
136D80.6Confident91Very high84 Ų8474 Ų7445%0.44936%0.357SS..  trans-76.1171.4172-158.85.9000110.8N138 L139 T140 I142D136-N138 PolarHBondContact O-N 2.76Å; D136-L139 PolarHBondContact O-N 3.41Å; D136-T140 PolarHBondContact N-O 2.84Å; D136-I142 HydrophobicContact CB-CD1 3.93Å
137S74Confident91.2Very high102 Ų10273.7 Ų73.771%0.71336%0.357SS*.THydrogen-bonded Turntrans-52.7-27.317861.80000113.3L139S137-L139 VanDerWaalsContact C-N 3.32Å; S137-L139 PolarHBondContact O-N 2.82Å
138N79.4Confident91.1Very high124 Ų12474.2 Ų74.266%0.66336%0.357SS*.THydrogen-bonded Turntrans-92.322.1180-62.6-11.8000113.4D136 T140D136-N138 PolarHBondContact O-N 2.76Å; N138-T140 PolarHBondContact O-N 2.89Å
139L81.3Confident91Very high132 Ų13275.2 Ų75.269%0.69136%0.36SS*.SBendtrans5713.2-175.9-60.3170.1000114.6D136 S137 Y141D136-L139 PolarHBondContact O-N 3.41Å; S137-L139 VanDerWaalsContact C-N 3.32Å; S137-L139 PolarHBondContact O-N 2.82Å; L139-Y141 PolarHBondContact O-N 2.78Å
140T88.1Confident90.7Very high15 Ų1575.2 Ų75.29%0.09236%0.357CS..  trans-73.6123.3176.9-57.90000108.4R135 D136 N138 I142 E167R135-T140 VanDerWaalsContact CA-O 3.32Å; R135-T140 WeakPolarHBondContact CA-O 3.33Å; D136-T140 PolarHBondContact N-O 2.84Å; N138-T140 PolarHBondContact O-N 2.89Å; T140-I142 HydrophobicContact CG2-CG1 4.3Å; T140-E167 CarbonylContact C-O 3.58Å; T140-E167 WeakPolarHBondContact CA-O 3.47Å; T140-E167 WeakPolarHBondContact CG2-O 3.31Å
141Y92.7Very high90.4Very high74 Ų7469.6 Ų69.629%0.2934%0.336SS..EExtended strand (participates in β ladder)trans-74.6126.8174.3177.5-104.2000109.1L139 M143 E166 E167L139-Y141 PolarHBondContact O-N 2.78Å; Y141-M143 HydrophobicContact CE1-CB 3.79Å; Y141-E166 CarbonylContact O-C 3.57Å; Y141-E166 WeakPolarHBondContact O-CA 3.39Å; Y141-E167 PolarHBondContact N-O 2.82Å; Y141-E167 PolarHBondContact O-N 2.65Å
142I94.4Very high90Very high20 Ų2069.3 Ų69.310%0.10334%0.336CS..EExtended strand (participates in β ladder)trans-123.5122.6178.1-55178.9000108.2G134 D136 T140 R144 H165 E166G134-I142 PolarHBondContact N-O 3.13Å; G134-I142 PolarHBondContact O-N 2.86Å; D136-I142 HydrophobicContact CB-CD1 3.93Å; T140-I142 HydrophobicContact CG2-CG1 4.3Å; I142-R144 HydrophobicContact CG2-CG 4.32Å; I142-H165 WeakPolarHBondContact CA-O 3.38Å; I142-E166 HydrophobicContact CG1-CG 4.41Å
143M95.2Very high89.5Confident31 Ų3167.2 Ų67.215%0.15334%0.335CS..EExtended strand (participates in β ladder)trans-116.7129.3170.5-179.5-83.9-77.100109L131 R132 R133 Y141 A145 M163 K164 H165L131-M143 HydrophobicContact CD1-CG 3.89Å; L131-M143 HydrophobicContact CD1-SD 4.06Å; R132-M143 WeakPolarHBondContact O-CA 3.42Å; R133-M143 HydrophobicContact CG-CG 4.23Å; Y141-M143 HydrophobicContact CE1-CB 3.79Å; M143-A145 HydrophobicContact SD-CB 3.91Å; M143-M163 HydrophobicContact CE-CE 3.88Å; M143-M163 HydrophobicContact CE-SD 3.98Å; M143-K164 WeakPolarHBondContact O-CA 3.18Å; M143-H165 HydrophobicContact CB-CB 4.35Å; M143-H165 HydrophobicContact CE-CB 3.89Å; M143-H165 PolarHBondContact N-O 3.42Å; M143-H165 PolarHBondContact O-N 3.32Å
144R96.5Very high89Confident83 Ų8366.3 Ų66.331%0.31334%0.337SS..EExtended strand (participates in β ladder)trans-123.3124171.5-64.6-178.218095.7-5.3108.2L131 R132 I142 M163 K164L131-R144 WeakPolarHBondContact CA-O 3.49Å; R132-R144 HydrophobicContact CB-CB 4.49Å; R132-R144 PolarHBondContact N-O 3.24Å; R132-R144 PolarHBondContact O-N 2.96Å; I142-R144 HydrophobicContact CG2-CG 4.32Å; R144-M163 CarbonylContact C-O 3.49Å; R144-M163 WeakPolarHBondContact CA-O 3.41Å; R144-K164 HydrophobicContact CG-CG 4.32Å
145A96.9Very high88.4Confident28 Ų2868 Ų6823%0.23134%0.337CS..EExtended strand (participates in β ladder)trans-122.7117.617500000108.9R130 L131 M143 M163R130-A145 CarbonylContact O-C 3.53Å; R130-A145 WeakPolarHBondContact O-CA 3.27Å; L131-A145 HydrophobicContact CD1-CB 4.03Å; M143-A145 HydrophobicContact SD-CB 3.91Å; A145-M163 HydrophobicContact CB-CB 4.3Å; A145-M163 PolarHBondContact N-O 2.9Å; A145-M163 PolarHBondContact O-N 2.85Å
146D96.8Very high88.1Confident46 Ų4664.7 Ų64.725%0.24634%0.34CS..EExtended strand (participates in β ladder)trans-107.6136.1173.4-52.6-58.1000108.5Q129 R130 I161 H162Q129-D146 CarbonylContact C-O 3.58Å; Q129-D146 WeakPolarHBondContact CA-O 3.37Å; R130-D146 HydrophobicContact CB-CB 4.1Å; R130-D146 PolarHBondContact N-O 2.79Å; R130-D146 PolarHBondContact O-N 2.92Å; D146-I161 CarbonylContact C-O 3.54Å; D146-I161 WeakPolarHBondContact CA-O 3.37Å; D146-H162 IonicContact OD1-CE1 3.89Å; D146-H162 PolarHBondContact OD1-CE1 2.87Å; D146-H162 IonicContact OD1-CG 3.91Å; D146-H162 IonicContact OD1-ND1 2.76Å; D146-H162 PolarHBondContact OD1-ND1 2.95Å
147H95.7Very high88.2Confident41 Ų4164.4 Ų64.419%0.1934%0.338CS..EExtended strand (participates in β ladder)trans-135130.2170.6-179.543.5000109.4T127 S128 Q129 H159 K160 I161T127-H147 PolarHBondContact OG1-CE1 2.74Å; S128-H147 CarbonylContact O-C 3.59Å; S128-H147 WeakPolarHBondContact O-CA 3.33Å; S128-H147 PolarHBondContact O-ND1 3.17Å; Q129-H147 WeakPolarHBondContact CG-ND1 3.42Å; H147-H159 AromaticContact CD2-CD2 3.98Å; H147-H159 AromaticContact CD2-NE2 3.21Å; H147-H159 PolarHBondContact CD2-NE2 2.77Å; H147-H159 AromaticContact NE2-CE1 3.93Å; H147-H159 AromaticContact NE2-NE2 3.35Å; H147-H159 PolarHBondContact NE2-NE2 3.28Å; H147-K160 CarbonylContact O-C 3.55Å; H147-K160 WeakPolarHBondContact O-CA 3.47Å; H147-I161 HydrophobicContact CB-CB 4.21Å; H147-I161 HydrophobicContact CB-CG1 4.34Å; H147-I161 PolarHBondContact N-O 2.84Å; H147-I161 PolarHBondContact O-N 2.88Å
148E94.8Very high89Confident42 Ų4259.6 Ų59.620%0.19630%0.304CS..EExtended strand (participates in β ladder)trans-125.8134.2174.2-59.6-177.5167.400108.1Y126 T127 S128 K160Y126-E148 HydrophobicContact CE1-CB 4.38Å; T127-E148 CarbonylContact C-O 3.48Å; T127-E148 VanDerWaalsContact CA-O 3.27Å; T127-E148 WeakPolarHBondContact CA-O 3.26Å; S128-E148 PolarHBondContact N-O 3.35Å; S128-E148 PolarHBondContact O-N 3.02Å; E148-K160 HydrophobicContact CG-CB 4.47Å; E148-K160 HydrophobicContact CG-CD 4.04Å; E148-K160 HydrophobicContact CG-CG 4.01Å; E148-K160 WeakPolarHBondContact OE1-CE 3.46Å; E148-K160 IonicContact OE1-NZ 2.72Å; E148-K160 PolarHBondContact OE1-NZ 2.85Å
149F93.5Very high89.6Confident42 Ų4255.7 Ų55.718%0.18428%0.282CS..EExtended strand (participates in β ladder)trans-136.2127.1175-177.1-92.2000109.6Y126 C151 I157 N158 H159Y126-F149 WeakPolarHBondContact O-CA 3.27Å; F149-C151 HydrophobicContact CE1-CB 4.11Å; F149-C151 HydrophobicContact CZ-CB 4.27Å; F149-C151 WeakPolarHBondContact CZ-SG 3.49Å; F149-I157 HydrophobicContact CD1-CD1 4.32Å; F149-I157 HydrophobicContact CD1-CG1 4.39Å; F149-I157 WeakPolarHBondContact CD1-O 3.28Å; F149-I157 HydrophobicContact CE1-CD1 3.38Å; F149-I157 HydrophobicContact CE1-CG1 3.75Å; F149-I157 HydrophobicContact CZ-CD1 3.87Å; F149-N158 WeakPolarHBondContact O-CA 3.38Å; F149-H159 PolarHBondContact N-O 3.23Å; F149-H159 PolarHBondContact O-N 2.82Å
150Y91.1Very high90.2Very high73 Ų7352.9 Ų52.929%0.28626%0.264SS..EExtended strand (participates in β ladder)trans-139.9131179.7171.3-97.3000109.7C125 Y126 N158C125-Y150 CarbonylContact C-O 3.42Å; C125-Y150 VanDerWaalsContact CA-O 3.26Å; C125-Y150 WeakPolarHBondContact CA-O 3.47Å; Y126-Y150 PolarHBondContact N-O 2.82Å; Y126-Y150 PolarHBondContact O-N 2.82Å; Y150-N158 WeakPolarHBondContact CA-OD1 3.48Å
151C90.5Very high90.5Very high3 Ų354.4 Ų54.42%0.0227%0.271CS..EExtended strand (participates in β ladder)trans-141.2130.6172.8-84.60000109.9E124 C125 F149 N153 M154 N158E124-C151 WeakPolarHBondContact O-CA 3.46Å; C125-C151 HydrophobicContact CB-CB 4.29Å; C125-C151 WeakPolarHBondContact CB-SG 3.26Å; C125-C151 WeakPolarHBondContact SG-CB 3.43Å; C125-C151 CovalentContact SG-SG 2.05Å; C125-C151 PolarHBondContact SG-SG 2.77Å; F149-C151 HydrophobicContact CE1-CB 4.11Å; F149-C151 HydrophobicContact CZ-CB 4.27Å; F149-C151 WeakPolarHBondContact CZ-SG 3.49Å; C151-N153 PolarHBondContact O-N 3.21Å; C151-M154 HydrophobicContact CB-CB 3.88Å; C151-M154 HydrophobicContact CB-CG 4.4Å; C151-M154 PolarHBondContact O-N 2.84Å; C151-N158 PolarHBondContact N-OD1 2.79Å; C151-N158 PolarHBondContact O-ND2 2.79Å; C151-N158 PolarHBondContact O-OD1 2.87Å
152T87.4Confident90.7Very high39 Ų3954 Ų5424%0.23927%0.271CS..THydrogen-bonded Turntrans-60.7-40.4-178.3-45.70000112.9E124E124-T152 PolarHBondContact N-OG1 2.82Å; E124-T152 PolarHBondContact O-N 2.85Å; E124-T152 PolarHBondContact O-OG1 3.35Å; E124-T152 VanDerWaalsContact O-OG1 3.06Å
153N83.6Confident90.8Very high95 Ų9556.4 Ų56.451%0.50828%0.283SS..THydrogen-bonded Turntrans-95.30.1-177.8-74.8-26.3000114.5Y112 Q123 C151Y112-N153 PolarHBondContact OH-ND2 3.04Å; Y112-N153 VanDerWaalsContact OH-ND2 3.07Å; Q123-N153 PolarHBondContact OE1-ND2 2.85Å; Q123-N153 PolarHBondContact OE1-OD1 2.68Å; C151-N153 PolarHBondContact O-N 3.21Å
154M81.4Confident90.9Very high98 Ų9857.5 Ų57.548%0.48329%0.287SS..  trans-127.550.7-177-57.4-172.478.100110.8C151 P156 I157 N158C151-M154 HydrophobicContact CB-CB 3.88Å; C151-M154 HydrophobicContact CB-CG 4.4Å; C151-M154 PolarHBondContact O-N 2.84Å; M154-P156 VanDerWaalsContact C-N 3.34Å; M154-I157 HydrophobicContact CB-CD1 3.72Å; M154-I157 HydrophobicContact CB-CG1 3.65Å; M154-I157 HydrophobicContact CE-CD1 3.58Å; M154-I157 HydrophobicContact CE-CG1 4.45Å; M154-I157 HydrophobicContact CG-CD1 4.41Å; M154-I157 WeakPolarHBondContact O-CG1 3.35Å; M154-I157 PolarHBondContact O-N 2.8Å; M154-I157 VanDerWaalsContact O-N 3.17Å; M154-I157 HydrophobicContact SD-CD1 3.85Å; M154-N158 PolarHBondContact O-OD1 2.78Å
155E76.3Confident90.9Very high68 Ų6855.3 Ų55.332%0.31828%0.28SS..G310 helixtrans-49.5-39.7-177.6-59.2177.3164.100115.4I157 N158 K182E155-I157 PolarHBondContact O-N 2.84Å; E155-N158 WeakPolarHBondContact O-CB 3.38Å; E155-N158 PolarHBondContact O-N 2.78Å; E155-K182 HydrophobicContact CB-CB 4.31Å; E155-K182 HydrophobicContact CB-CG 4.02Å; E155-K182 VanDerWaalsContact CD-CG 3.49Å; E155-K182 HydrophobicContact CG-CG 3.99Å; E155-K182 WeakPolarHBondContact OE1-CE 3.33Å; E155-K182 IonicContact OE1-NZ 2.72Å; E155-K182 PolarHBondContact OE1-NZ 2.84Å; E155-K182 WeakPolarHBondContact OE2-CD 3.36Å; E155-K182 WeakPolarHBondContact OE2-CE 3.48Å; E155-K182 WeakPolarHBondContact OE2-CG 3.49Å; E155-K182 IonicContact OE2-NZ 2.66Å; E155-K182 PolarHBondContact OE2-NZ 2.84Å
156P78.9Confident90.8Very high119 Ų11955.6 Ų55.677%0.77328%0.277SS*.G310 helixtrans-66.6-19.2-176.9-22.835.3000114.9M154M154-P156 VanDerWaalsContact C-N 3.34Å
157I84.5Confident90.7Very high77 Ų7757.9 Ų57.940%0.39529%0.286SS..G310 helixtrans-103.91.9-178.461.1162.5000112.5F149 M154 E155 H159F149-I157 HydrophobicContact CD1-CD1 4.32Å; F149-I157 HydrophobicContact CD1-CG1 4.39Å; F149-I157 WeakPolarHBondContact CD1-O 3.28Å; F149-I157 HydrophobicContact CE1-CD1 3.38Å; F149-I157 HydrophobicContact CE1-CG1 3.75Å; F149-I157 HydrophobicContact CZ-CD1 3.87Å; M154-I157 HydrophobicContact CB-CD1 3.72Å; M154-I157 HydrophobicContact CB-CG1 3.65Å; M154-I157 HydrophobicContact CE-CD1 3.58Å; M154-I157 HydrophobicContact CE-CG1 4.45Å; M154-I157 HydrophobicContact CG-CD1 4.41Å; M154-I157 WeakPolarHBondContact O-CG1 3.35Å; M154-I157 PolarHBondContact O-N 2.8Å; M154-I157 VanDerWaalsContact O-N 3.17Å; M154-I157 HydrophobicContact SD-CD1 3.85Å; E155-I157 PolarHBondContact O-N 2.84Å; I157-H159 PolarHBondContact O-N 2.82Å; I157-H159 PolarHBondContact O-ND1 3.07Å
158N89.9Confident90.5Very high1 Ų156.7 Ų56.71%0.00528%0.283CS..  trans-66.8126.8176.2-71.4-11.9000109.9F149 Y150 C151 M154 E155 Y180 G181F149-N158 WeakPolarHBondContact O-CA 3.38Å; Y150-N158 WeakPolarHBondContact CA-OD1 3.48Å; C151-N158 PolarHBondContact N-OD1 2.79Å; C151-N158 PolarHBondContact O-ND2 2.79Å; C151-N158 PolarHBondContact O-OD1 2.87Å; M154-N158 PolarHBondContact O-OD1 2.78Å; E155-N158 WeakPolarHBondContact O-CB 3.38Å; E155-N158 PolarHBondContact O-N 2.78Å; N158-Y180 WeakPolarHBondContact O-CA 3.33Å; N158-G181 WeakPolarHBondContact CB-O 3.41Å; N158-G181 PolarHBondContact O-N 2.8Å
159H92.3Very high90.1Very high43 Ų4360.8 Ų60.820%0.19931%0.313CS..EExtended strand (participates in β ladder)trans-157.8158.6-174.666.8-85.9000113.5H147 F149 I157 L178 S179H147-H159 AromaticContact CD2-CD2 3.98Å; H147-H159 AromaticContact CD2-NE2 3.21Å; H147-H159 PolarHBondContact CD2-NE2 2.77Å; H147-H159 AromaticContact NE2-CE1 3.93Å; H147-H159 AromaticContact NE2-NE2 3.35Å; H147-H159 PolarHBondContact NE2-NE2 3.28Å; F149-H159 PolarHBondContact N-O 3.23Å; F149-H159 PolarHBondContact O-N 2.82Å; I157-H159 PolarHBondContact O-N 2.82Å; I157-H159 PolarHBondContact O-ND1 3.07Å; H159-L178 HydrophobicContact CB-CD1 4.3Å; H159-S179 CarbonylContact C-O 3.42Å; H159-S179 VanDerWaalsContact CA-O 3.23Å; H159-S179 WeakPolarHBondContact CA-O 3.47Å
160K93.7Very high89.9Confident72 Ų7261.8 Ų61.831%0.31333%0.325SS..EExtended strand (participates in β ladder)trans-133.3123.2173.3174163.5179.8158.30109.2H147 E148 L178 S179 W184H147-K160 CarbonylContact O-C 3.55Å; H147-K160 WeakPolarHBondContact O-CA 3.47Å; E148-K160 HydrophobicContact CG-CB 4.47Å; E148-K160 HydrophobicContact CG-CD 4.04Å; E148-K160 HydrophobicContact CG-CG 4.01Å; E148-K160 WeakPolarHBondContact OE1-CE 3.46Å; E148-K160 IonicContact OE1-NZ 2.72Å; E148-K160 PolarHBondContact OE1-NZ 2.85Å; K160-L178 WeakPolarHBondContact O-CA 3.46Å; K160-S179 PolarHBondContact N-O 2.8Å; K160-S179 PolarHBondContact O-N 2.86Å; K160-W184 HydrophobicContact CB-CD2 4.15Å; K160-W184 HydrophobicContact CB-CE3 3.98Å; K160-W184 HydrophobicContact CB-CZ3 4.34Å; K160-W184 HydrophobicContact CD-CE3 3.78Å; K160-W184 HydrophobicContact CD-CH2 3.88Å; K160-W184 HydrophobicContact CD-CZ3 3.37Å
161I95.1Very high90Very high48 Ų4860.9 Ų60.925%0.24632%0.323CS..EExtended strand (participates in β ladder)trans-113.5126.7179.6-40.6-167.6000108.4D146 H147 L176 D177 L178D146-I161 CarbonylContact C-O 3.54Å; D146-I161 WeakPolarHBondContact CA-O 3.37Å; H147-I161 HydrophobicContact CB-CB 4.21Å; H147-I161 HydrophobicContact CB-CG1 4.34Å; H147-I161 PolarHBondContact N-O 2.84Å; H147-I161 PolarHBondContact O-N 2.88Å; I161-L176 HydrophobicContact CG2-CD1 3.43Å; I161-L176 VanDerWaalsContact CG2-CD1 3.43Å; I161-D177 CarbonylContact C-O 3.57Å; I161-D177 WeakPolarHBondContact CA-O 3.3Å; I161-L178 HydrophobicContact CD1-CD1 4.24Å; I161-L178 HydrophobicContact CG1-CD1 3.79Å
162H96.3Very high90.2Very high64 Ų6463.9 Ų63.930%0.29634%0.339SS..EExtended strand (participates in β ladder)trans-119.5112.8168.6-179.273.3000108.9D146 L176 D177D146-H162 IonicContact OD1-CE1 3.89Å; D146-H162 PolarHBondContact OD1-CE1 2.87Å; D146-H162 IonicContact OD1-CG 3.91Å; D146-H162 IonicContact OD1-ND1 2.76Å; D146-H162 PolarHBondContact OD1-ND1 2.95Å; H162-L176 WeakPolarHBondContact O-CA 3.32Å; H162-D177 HydrophobicContact CB-CB 4.25Å; H162-D177 PolarHBondContact N-O 2.83Å; H162-D177 PolarHBondContact O-N 2.86Å
163M96.8Very high90.6Very high72 Ų7266.1 Ų66.136%0.35535%0.345SS..EExtended strand (participates in β ladder)trans-112.4128.1176.1-176.6-176.9-177.100109.7M143 R144 A145 V175 L176M143-M163 HydrophobicContact CE-CE 3.88Å; M143-M163 HydrophobicContact CE-SD 3.98Å; R144-M163 CarbonylContact C-O 3.49Å; R144-M163 WeakPolarHBondContact CA-O 3.41Å; A145-M163 HydrophobicContact CB-CB 4.3Å; A145-M163 PolarHBondContact N-O 2.9Å; A145-M163 PolarHBondContact O-N 2.85Å; M163-V175 CarbonylContact C-O 3.51Å; M163-V175 WeakPolarHBondContact CA-O 3.42Å; M163-L176 HydrophobicContact CB-CD1 4.25Å
164K96.3Very high91.3Very high54 Ų5463 Ų6324%0.23533%0.33CS..EExtended strand (participates in β ladder)trans-125.8125.8174.9-174.2-176.6-179.9-157.40109.5M143 R144 E166 S174 V175M143-K164 WeakPolarHBondContact O-CA 3.18Å; R144-K164 HydrophobicContact CG-CG 4.32Å; K164-E166 WeakPolarHBondContact CE-OE1 3.35Å; K164-E166 IonicContact NZ-OE1 2.68Å; K164-E166 PolarHBondContact NZ-OE1 2.85Å; K164-E166 IonicContact NZ-OE2 2.8Å; K164-S174 CarbonylContact O-C 3.48Å; K164-S174 WeakPolarHBondContact O-CA 3.38Å; K164-V175 PolarHBondContact N-O 2.61Å; K164-V175 PolarHBondContact O-N 3.47Å
165H96.2Very high92Very high36 Ų3659.7 Ų59.717%0.16732%0.316CS..EExtended strand (participates in β ladder)trans-125.5128.2176.1-179.869000109.9I142 M143 K173 S174I142-H165 WeakPolarHBondContact CA-O 3.38Å; M143-H165 HydrophobicContact CB-CB 4.35Å; M143-H165 HydrophobicContact CE-CB 3.89Å; M143-H165 PolarHBondContact N-O 3.42Å; M143-H165 PolarHBondContact O-N 3.32Å; H165-K173 CarbonylContact C-O 3.5Å; H165-K173 WeakPolarHBondContact CA-O 3.29Å; H165-S174 PolarHBondContact ND1-OG 2.77Å
166E95.2Very high93Very high35 Ų3559 Ų5916%0.16431%0.314CS..EExtended strand (participates in β ladder)trans-123.2127.1177.5-62.4177152.600108.4Y141 I142 K164 I172 K173Y141-E166 CarbonylContact O-C 3.57Å; Y141-E166 WeakPolarHBondContact O-CA 3.39Å; I142-E166 HydrophobicContact CG1-CG 4.41Å; K164-E166 WeakPolarHBondContact CE-OE1 3.35Å; K164-E166 IonicContact NZ-OE1 2.68Å; K164-E166 PolarHBondContact NZ-OE1 2.85Å; K164-E166 IonicContact NZ-OE2 2.8Å; E166-I172 CarbonylContact O-C 3.58Å; E166-I172 WeakPolarHBondContact O-CA 3.38Å; E166-K173 HydrophobicContact CB-CB 4.4Å; E166-K173 PolarHBondContact N-O 2.84Å; E166-K173 PolarHBondContact O-N 3.24Å
167E94.6Very high93.8Very high93 Ų9356.3 Ų56.344%0.43529%0.293SS..EExtended strand (participates in β ladder)trans-132.4128.3-179.6-179.7-177.1-169.400110.4T140 Y141 I172T140-E167 CarbonylContact C-O 3.58Å; T140-E167 WeakPolarHBondContact CA-O 3.47Å; T140-E167 WeakPolarHBondContact CG2-O 3.31Å; Y141-E167 PolarHBondContact N-O 2.82Å; Y141-E167 PolarHBondContact O-N 2.65Å; E167-I172 HydrophobicContact CG-CG1 4.36Å
168S91.6Very high94.2Very high17 Ų1754.5 Ų54.512%0.11928%0.284CS..  trans-145.5169.5172.475.10000109.8S170 H171S168-S170 PolarHBondContact O-N 2.87Å; S168-S170 VanDerWaalsContact O-N 3.16Å; S168-S170 PolarHBondContact OG-N 2.82Å; S168-S170 PolarHBondContact OG-OG 2.78Å; S168-H171 PolarHBondContact N-O 3Å; S168-H171 PolarHBondContact O-N 2.87Å; S168-H171 VanDerWaalsContact O-O 3.07Å; S168-H171 PolarHBondContact OG-CE1 3.19Å; S168-H171 VanDerWaalsContact OG-CG 3.32Å; S168-H171 PolarHBondContact OG-N 2.93Å; S168-H171 PolarHBondContact OG-ND1 2.88Å; S168-H171 PolarHBondContact OG-O 2.86Å; S168-H171 VanDerWaalsContact OG-O 3.09Å
169P87.1Confident94.3Very high127 Ų12754.9 Ų54.983%0.82529%0.287SS*.SBendtrans-59.2-25.9175.2-24.935.2000114.5
170S90Very high94.1Very high64 Ų6457.2 Ų57.245%0.44829%0.294SS..SBendtrans-105-15.1-17662.60000114.1S168 N201S168-S170 PolarHBondContact O-N 2.87Å; S168-S170 VanDerWaalsContact O-N 3.16Å; S168-S170 PolarHBondContact OG-N 2.82Å; S168-S170 PolarHBondContact OG-OG 2.78Å; S170-N201 PolarHBondContact O-N 3.16Å
171H92.7Very high93.6Very high54 Ų5454.1 Ų54.125%0.2528%0.283CS..EExtended strand (participates in β ladder)trans-154.2146.4179.572.6-88.9000112.7S168 F199 K200S168-H171 PolarHBondContact N-O 3Å; S168-H171 PolarHBondContact O-N 2.87Å; S168-H171 VanDerWaalsContact O-O 3.07Å; S168-H171 PolarHBondContact OG-CE1 3.19Å; S168-H171 VanDerWaalsContact OG-CG 3.32Å; S168-H171 PolarHBondContact OG-N 2.93Å; S168-H171 PolarHBondContact OG-ND1 2.88Å; S168-H171 PolarHBondContact OG-O 2.86Å; S168-H171 VanDerWaalsContact OG-O 3.09Å; H171-F199 CarbonylContact C-O 3.52Å; H171-F199 VanDerWaalsContact CA-O 3.24Å; H171-F199 WeakPolarHBondContact CA-O 3.39Å; H171-K200 HydrophobicContact CB-CG 4.46Å
172I94.9Very high92.6Very high66 Ų6655.7 Ų55.734%0.33829%0.288SS..EExtended strand (participates in β ladder)trans-127129.2168.3-57176.6000107.1E166 E167 S198 F199E166-I172 CarbonylContact O-C 3.58Å; E166-I172 WeakPolarHBondContact O-CA 3.38Å; E167-I172 HydrophobicContact CG-CG1 4.36Å; I172-S198 CarbonylContact O-C 3.51Å; I172-S198 WeakPolarHBondContact O-CA 3.36Å; I172-F199 HydrophobicContact CB-CB 4.38Å; I172-F199 PolarHBondContact N-O 2.83Å; I172-F199 PolarHBondContact O-N 3.13Å
173K95.9Very high91.4Very high86 Ų8655.4 Ų55.437%0.37429%0.286SS..EExtended strand (participates in β ladder)trans-138.2125.6178.2-174.4179.5178.5-177.90110.3H165 E166 V175 Q197H165-K173 CarbonylContact C-O 3.5Å; H165-K173 WeakPolarHBondContact CA-O 3.29Å; E166-K173 HydrophobicContact CB-CB 4.4Å; E166-K173 PolarHBondContact N-O 2.84Å; E166-K173 PolarHBondContact O-N 3.24Å; K173-V175 HydrophobicContact CG-CG2 4.29Å; K173-Q197 CarbonylContact C-O 3.53Å; K173-Q197 WeakPolarHBondContact CA-O 3.4Å
174S96.8Very high90Very high29 Ų2954 Ų5420%0.20328%0.277CS..EExtended strand (participates in β ladder)trans-120.4131.2174.3-62.30000109K164 H165 S196 Q197K164-S174 CarbonylContact O-C 3.48Å; K164-S174 WeakPolarHBondContact O-CA 3.38Å; H165-S174 PolarHBondContact ND1-OG 2.77Å; S174-S196 CarbonylContact O-C 3.51Å; S174-S196 WeakPolarHBondContact O-CA 2.88Å; S174-Q197 PolarHBondContact N-O 3.01Å; S174-Q197 PolarHBondContact O-N 3.27Å; S174-Q197 VanDerWaalsContact O-O 3.12Å
175V97.4Very high88.8Confident28 Ų2856.3 Ų56.317%0.1729%0.292CS..EExtended strand (participates in β ladder)trans-129.6130.9175.4-174.80000107.7M163 K164 K173 L194 L195M163-V175 CarbonylContact C-O 3.51Å; M163-V175 WeakPolarHBondContact CA-O 3.42Å; K164-V175 PolarHBondContact N-O 2.61Å; K164-V175 PolarHBondContact O-N 3.47Å; K173-V175 HydrophobicContact CG-CG2 4.29Å; V175-L194 HydrophobicContact CG1-CD1 3.88Å; V175-L195 CarbonylContact C-O 3.56Å; V175-L195 WeakPolarHBondContact CA-O 3.06Å
176L97.1Very high87.6Confident55 Ų5559.2 Ų59.229%0.28831%0.306SS..EExtended strand (participates in β ladder)trans-124.3117.7173.3174.771.2000107.3I161 H162 M163 L195I161-L176 HydrophobicContact CG2-CD1 3.43Å; I161-L176 VanDerWaalsContact CG2-CD1 3.43Å; H162-L176 WeakPolarHBondContact O-CA 3.32Å; M163-L176 HydrophobicContact CB-CD1 4.25Å; L176-L195 HydrophobicContact CB-CB 4.23Å; L176-L195 HydrophobicContact CD2-CD2 4.23Å; L176-L195 PolarHBondContact N-O 3.41Å; L176-L195 PolarHBondContact O-N 2.85Å
177D95.3Very high86.3Confident61 Ų6165.2 Ų65.233%0.32634%0.338SS..EExtended strand (participates in β ladder)trans-112.1117.6172.9177.3-1.1000107.6I161 H162 L194I161-D177 CarbonylContact C-O 3.57Å; I161-D177 WeakPolarHBondContact CA-O 3.3Å; H162-D177 HydrophobicContact CB-CB 4.25Å; H162-D177 PolarHBondContact N-O 2.83Å; H162-D177 PolarHBondContact O-N 2.86Å; D177-L194 HydrophobicContact CB-CD1 4.15Å
178L93.9Very high84.8Confident40 Ų4067.1 Ų67.121%0.20935%0.351CS..EExtended strand (participates in β ladder)trans-118.3117.6179.7171.569.4000108.5H159 K160 I161 Y180 T192 L193H159-L178 HydrophobicContact CB-CD1 4.3Å; K160-L178 WeakPolarHBondContact O-CA 3.46Å; I161-L178 HydrophobicContact CD1-CD1 4.24Å; I161-L178 HydrophobicContact CG1-CD1 3.79Å; L178-Y180 HydrophobicContact CD2-CD1 4.3Å; L178-Y180 HydrophobicContact CG-CD1 4.18Å; L178-T192 CarbonylContact O-C 3.56Å; L178-T192 WeakPolarHBondContact O-CA 3.22Å; L178-L193 HydrophobicContact CB-CB 4.2Å; L178-L193 HydrophobicContact CD2-CD2 4Å; L178-L193 PolarHBondContact N-O 2.83Å; L178-L193 PolarHBondContact O-N 3.05Å
179S91.1Very high83.6Confident9 Ų970 Ų706%0.06337%0.365CS..EExtended strand (participates in β ladder)trans-106.2131.5168.6-63.60000109.2H159 K160 K190 Y191H159-S179 CarbonylContact C-O 3.42Å; H159-S179 VanDerWaalsContact CA-O 3.23Å; H159-S179 WeakPolarHBondContact CA-O 3.47Å; K160-S179 PolarHBondContact N-O 2.8Å; K160-S179 PolarHBondContact O-N 2.86Å; S179-K190 WeakPolarHBondContact OG-CE 3.07Å; S179-Y191 CarbonylContact C-O 3.51Å; S179-Y191 VanDerWaalsContact CA-O 3.27Å; S179-Y191 WeakPolarHBondContact CA-O 3.38Å
180Y88.4Confident83.1Confident92 Ų9267.9 Ų67.936%0.36134%0.343SS..EExtended strand (participates in β ladder)trans-145.5162.3179.867.9-83.4000111.6N158 L178 Y191N158-Y180 WeakPolarHBondContact O-CA 3.33Å; L178-Y180 HydrophobicContact CD2-CD1 4.3Å; L178-Y180 HydrophobicContact CG-CD1 4.18Å; Y180-Y191 HydrophobicContact CD2-CD2 4.3Å; Y180-Y191 HydrophobicContact CD2-CG 4.37Å; Y180-Y191 VanDerWaalsContact CE1-CB 3.47Å; Y180-Y191 HydrophobicContact CE2-CD2 4.03Å; Y180-Y191 AromaticContact CE2-CG 3.8Å; Y180-Y191 HydrophobicContact CE2-CG 3.8Å; Y180-Y191 AromaticContact CZ-CG 3.91Å; Y180-Y191 PolarHBondContact N-O 2.89Å; Y180-Y191 WeakPolarHBondContact O-CB 3.29Å; Y180-Y191 PolarHBondContact O-N 2.84Å
181G82.2Confident83Confident7 Ų769.3 Ų69.37%0.07234%0.339CS..SBendtrans131.7177.7179.700000112.7N158 H183N158-G181 WeakPolarHBondContact CB-O 3.41Å; N158-G181 PolarHBondContact O-N 2.8Å; G181-H183 VanDerWaalsContact C-N 3.27Å; G181-H183 PolarHBondContact O-N 2.82Å
182K74Confident82.9Confident81 Ų8168.3 Ų68.335%0.35234%0.337SS..THydrogen-bonded Turntrans-56.9-41.2-175.7-178.3170.6174.5128.90112.4E155 N189E155-K182 HydrophobicContact CB-CB 4.31Å; E155-K182 HydrophobicContact CB-CG 4.02Å; E155-K182 VanDerWaalsContact CD-CG 3.49Å; E155-K182 HydrophobicContact CG-CG 3.99Å; E155-K182 WeakPolarHBondContact OE1-CE 3.33Å; E155-K182 IonicContact OE1-NZ 2.72Å; E155-K182 PolarHBondContact OE1-NZ 2.84Å; E155-K182 WeakPolarHBondContact OE2-CD 3.36Å; E155-K182 WeakPolarHBondContact OE2-CE 3.48Å; E155-K182 WeakPolarHBondContact OE2-CG 3.49Å; E155-K182 IonicContact OE2-NZ 2.66Å; E155-K182 PolarHBondContact OE2-NZ 2.84Å; K182-N189 WeakPolarHBondContact CB-ND2 3.19Å
183H71.2Confident82.8Confident57 Ų5767.4 Ų67.426%0.26433%0.332SS..THydrogen-bonded Turntrans-131.486.2173.8-61.2-69.3000109.2G181 D185 E186G181-H183 VanDerWaalsContact C-N 3.27Å; G181-H183 PolarHBondContact O-N 2.82Å; H183-D185 PolarHBondContact O-N 2.85Å; H183-E186 HydrophobicContact CB-CB 3.69Å; H183-E186 HydrophobicContact CB-CG 3.77Å; H183-E186 IonicContact CD2-OE2 3.97Å; H183-E186 IonicContact CG-OE1 2.93Å; H183-E186 IonicContact CG-OE2 3.83Å; H183-E186 IonicContact ND1-OE1 2.61Å; H183-E186 PolarHBondContact O-N 2.79Å
184W68.9Low82.7Confident43 Ų4366.1 Ų66.116%0.16333%0.329CS..SBendtrans-67.3-17.2179.362.8-98.3000113K160 K190K160-W184 HydrophobicContact CB-CD2 4.15Å; K160-W184 HydrophobicContact CB-CE3 3.98Å; K160-W184 HydrophobicContact CB-CZ3 4.34Å; K160-W184 HydrophobicContact CD-CE3 3.78Å; K160-W184 HydrophobicContact CD-CH2 3.88Å; K160-W184 HydrophobicContact CD-CZ3 3.37Å; W184-K190 VanDerWaalsContact O-CD 3.24Å; W184-K190 WeakPolarHBondContact O-CD 3.24Å; W184-K190 WeakPolarHBondContact O-CE 3.48Å
185D70.4Confident82.7Confident102 Ų10267.4 Ų67.455%0.54533%0.333SS..SBendtrans-91-21179.558-38.2000113.3H183H183-D185 PolarHBondContact O-N 2.85Å
186E71.6Confident82.7Confident97 Ų9766.8 Ų66.845%0.45333%0.33SS..SBendtrans-93.3145.7175.6-62.4179.6-176.800111.2H183 N188 K190H183-E186 HydrophobicContact CB-CB 3.69Å; H183-E186 HydrophobicContact CB-CG 3.77Å; H183-E186 IonicContact CD2-OE2 3.97Å; H183-E186 IonicContact CG-OE1 2.93Å; H183-E186 IonicContact CG-OE2 3.83Å; H183-E186 IonicContact ND1-OE1 2.61Å; H183-E186 PolarHBondContact O-N 2.79Å; E186-N188 VanDerWaalsContact C-N 3.27Å; E186-N188 PolarHBondContact O-N 2.86Å; E186-K190 WeakPolarHBondContact O-CB 3.45Å
187I66.4Low82.6Confident162 Ų16269.1 Ų69.183%0.83134%0.34SS*.SBendtrans-67.3-33.6-179.5-62.4170.3000110.8
188N63.8Low82.7Confident133 Ų13366.8 Ų66.871%0.71133%0.328SS*.THydrogen-bonded Turntrans-83123.8176.3-69.5-20.7000109E186E186-N188 VanDerWaalsContact C-N 3.27Å; E186-N188 PolarHBondContact O-N 2.86Å
189N65.9Low82.8Confident77 Ų7768.4 Ų68.441%0.41233%0.334SS..THydrogen-bonded Turntrans78.518.3178-15012.4000116.4K182K182-N189 WeakPolarHBondContact CB-ND2 3.19Å
190K78Confident83Confident83 Ų8372.5 Ų72.536%0.36135%0.351SS..  trans-90.6125.8167.9177.5-175.4-173.6175.20110.7S179 W184 E186 T192S179-K190 WeakPolarHBondContact OG-CE 3.07Å; W184-K190 VanDerWaalsContact O-CD 3.24Å; W184-K190 WeakPolarHBondContact O-CD 3.24Å; W184-K190 WeakPolarHBondContact O-CE 3.48Å; E186-K190 WeakPolarHBondContact O-CB 3.45Å; K190-T192 HydrophobicContact CD-CG2 4.16Å; K190-T192 HydrophobicContact CG-CG2 4.03Å
191Y87.3Confident83.3Confident93 Ų9370.5 Ų70.537%0.36535%0.346SS..EExtended strand (participates in β ladder)trans-102.1139.9169.6-59.6-90.1000110.1S179 Y180 E220S179-Y191 CarbonylContact C-O 3.51Å; S179-Y191 VanDerWaalsContact CA-O 3.27Å; S179-Y191 WeakPolarHBondContact CA-O 3.38Å; Y180-Y191 HydrophobicContact CD2-CD2 4.3Å; Y180-Y191 HydrophobicContact CD2-CG 4.37Å; Y180-Y191 VanDerWaalsContact CE1-CB 3.47Å; Y180-Y191 HydrophobicContact CE2-CD2 4.03Å; Y180-Y191 AromaticContact CE2-CG 3.8Å; Y180-Y191 HydrophobicContact CE2-CG 3.8Å; Y180-Y191 AromaticContact CZ-CG 3.91Å; Y180-Y191 PolarHBondContact N-O 2.89Å; Y180-Y191 WeakPolarHBondContact O-CB 3.29Å; Y180-Y191 PolarHBondContact O-N 2.84Å; Y191-E220 VanDerWaalsContact CA-OE1 3.27Å; Y191-E220 WeakPolarHBondContact CA-OE1 3.18Å; Y191-E220 HydrophobicContact CD1-CB 3.88Å; Y191-E220 HydrophobicContact CD1-CG 3.52Å; Y191-E220 HydrophobicContact CE1-CB 4.24Å; Y191-E220 HydrophobicContact CE1-CG 4.12Å; Y191-E220 HydrophobicContact CG-CG 4.32Å
192T89.6Confident83.7Confident34 Ų3476 Ų7621%0.20937%0.37CS..EExtended strand (participates in β ladder)trans-130.7134.5-173.853.60000111.4L178 K190 P219 E220L178-T192 CarbonylContact O-C 3.56Å; L178-T192 WeakPolarHBondContact O-CA 3.22Å; K190-T192 HydrophobicContact CD-CG2 4.16Å; K190-T192 HydrophobicContact CG-CG2 4.03Å; T192-P219 VanDerWaalsContact O-CD 3.28Å; T192-P219 WeakPolarHBondContact O-CD 3.45Å; T192-P219 WeakPolarHBondContact OG1-CD 3.37Å; T192-P219 WeakPolarHBondContact OG1-CG 3.5Å; T192-E220 VanDerWaalsContact N-CD 3.29Å; T192-E220 PolarHBondContact N-OE1 2.81Å; T192-E220 PolarHBondContact N-OE2 2.8Å; T192-E220 PolarHBondContact OG1-OE1 2.83Å
193L92.8Very high84.6Confident46 Ų4674.1 Ų74.124%0.24137%0.367CS..EExtended strand (participates in β ladder)trans-128.7115175.5170.973.8000107.8L178 L216 V218L178-L193 HydrophobicContact CB-CB 4.2Å; L178-L193 HydrophobicContact CD2-CD2 4Å; L178-L193 PolarHBondContact N-O 2.83Å; L178-L193 PolarHBondContact O-N 3.05Å; L193-L216 HydrophobicContact CD1-CD1 3.47Å; L193-L216 VanDerWaalsContact CD1-CD1 3.47Å; L193-V218 HydrophobicContact CD1-CG2 3.58Å
194L94.8Very high85.5Confident59 Ų5975.8 Ų75.831%0.30938%0.381SS..EExtended strand (participates in β ladder)trans-108.9116.7174.2-178.170.3000109.6V175 D177 L216 Q217V175-L194 HydrophobicContact CG1-CD1 3.88Å; D177-L194 HydrophobicContact CB-CD1 4.15Å; L194-L216 WeakPolarHBondContact O-CA 3.45Å; L194-Q217 HydrophobicContact CB-CB 4.24Å; L194-Q217 PolarHBondContact N-O 2.78Å; L194-Q217 PolarHBondContact O-N 3.03Å
195L96.7Very high86.3Confident56 Ų5682.6 Ų82.629%0.29342%0.415SS..EExtended strand (participates in β ladder)trans-115.6123.2175.1178.170.9000108.7V175 L176 F214 L216V175-L195 CarbonylContact C-O 3.56Å; V175-L195 WeakPolarHBondContact CA-O 3.06Å; L176-L195 HydrophobicContact CB-CB 4.23Å; L176-L195 HydrophobicContact CD2-CD2 4.23Å; L176-L195 PolarHBondContact N-O 3.41Å; L176-L195 PolarHBondContact O-N 2.85Å; L195-F214 HydrophobicContact CD1-CD2 4.43Å; L195-F214 HydrophobicContact CD1-CE1 4.36Å; L195-F214 HydrophobicContact CD1-CE2 3.4Å; L195-F214 VanDerWaalsContact CD1-CE2 3.4Å; L195-F214 HydrophobicContact CD1-CZ 3.35Å; L195-L216 HydrophobicContact CD1-CD1 4.37Å
196S96.7Very high87.1Confident15 Ų1581.5 Ų81.511%0.10541%0.409CS..EExtended strand (participates in β ladder)trans-132.6131.6176.3-178.10000111.3S174 F214 N215S174-S196 CarbonylContact O-C 3.51Å; S174-S196 WeakPolarHBondContact O-CA 2.88Å; S196-F214 CarbonylContact O-C 3.56Å; S196-F214 WeakPolarHBondContact O-CA 3.14Å; S196-N215 PolarHBondContact N-O 2.79Å; S196-N215 PolarHBondContact O-N 3.3Å
197Q96.4Very high88Confident104 Ų10479.9 Ų79.949%0.48640%0.401SS..EExtended strand (participates in β ladder)trans-120.3133.8172.4-178.1-177.39.900108.3K173 S174 E213K173-Q197 CarbonylContact C-O 3.53Å; K173-Q197 WeakPolarHBondContact CA-O 3.4Å; S174-Q197 PolarHBondContact N-O 3.01Å; S174-Q197 PolarHBondContact O-N 3.27Å; S174-Q197 VanDerWaalsContact O-O 3.12Å; Q197-E213 CarbonylContact C-O 3.51Å; Q197-E213 WeakPolarHBondContact CA-O 3.44Å
198S96.7Very high89.3Confident13 Ų1374 Ų749%0.09137%0.373CS..EExtended strand (participates in β ladder)trans-139.1138.4172.972.30000111.3I172 L212 E213I172-S198 CarbonylContact O-C 3.51Å; I172-S198 WeakPolarHBondContact O-CA 3.36Å; S198-L212 CarbonylContact O-C 3.52Å; S198-L212 WeakPolarHBondContact O-CA 3.15Å; S198-E213 PolarHBondContact N-O 2.9Å; S198-E213 PolarHBondContact O-N 2.93Å; S198-E213 WeakPolarHBondContact OG-CB 3.45Å
199F96.4Very high90.8Very high74 Ų7468.5 Ų68.533%0.32535%0.345SS..EExtended strand (participates in β ladder)trans-124.7129171.8174-100.5000107.8H171 I172 N201 Y210 T211 L212H171-F199 CarbonylContact C-O 3.52Å; H171-F199 VanDerWaalsContact CA-O 3.24Å; H171-F199 WeakPolarHBondContact CA-O 3.39Å; I172-F199 HydrophobicContact CB-CB 4.38Å; I172-F199 PolarHBondContact N-O 2.83Å; I172-F199 PolarHBondContact O-N 3.13Å; F199-N201 HydrophobicContact CE1-CB 3.99Å; F199-N201 HydrophobicContact CZ-CB 4.35Å; F199-Y210 HydrophobicContact CE2-CD1 4.12Å; F199-Y210 HydrophobicContact CE2-CG 4.38Å; F199-Y210 AromaticContact CZ-CD1 3.68Å; F199-Y210 HydrophobicContact CZ-CD1 3.68Å; F199-Y210 HydrophobicContact CZ-CE1 4.32Å; F199-Y210 HydrophobicContact CZ-CG 4.37Å; F199-T211 CarbonylContact C-O 3.59Å; F199-T211 WeakPolarHBondContact CA-O 3.34Å; F199-L212 HydrophobicContact CB-CD1 4.41Å
200K95.1Very high92.2Very high95 Ų9568.9 Ų68.941%0.41334%0.341SS..EExtended strand (participates in β ladder)trans-123.9127.3176.9-64.6178.8-178.3174.80108.9H171 Y210 T211H171-K200 HydrophobicContact CB-CG 4.46Å; K200-Y210 WeakPolarHBondContact O-CA 3.41Å; K200-T211 PolarHBondContact N-O 3.13Å; K200-T211 PolarHBondContact O-N 3.33Å
201N93.6Very high93.1Very high49 Ų4965.7 Ų65.726%0.26233%0.329SS..EExtended strand (participates in β ladder)trans-107.5110.2172.1-177.84000108.7S170 F199 S203 Y210S170-N201 PolarHBondContact O-N 3.16Å; F199-N201 HydrophobicContact CE1-CB 3.99Å; F199-N201 HydrophobicContact CZ-CB 4.35Å; N201-S203 WeakPolarHBondContact OD1-CB 3.36Å; N201-S203 PolarHBondContact OD1-N 3.5Å; N201-S203 PolarHBondContact OD1-OG 3.25Å; N201-Y210 HydrophobicContact CB-CD1 4.2Å; N201-Y210 HydrophobicContact CB-CE1 4.31Å; N201-Y210 WeakPolarHBondContact OD1-CE1 3.46Å
202Q92.2Very high93.6Very high123 Ų12364.5 Ų64.558%0.57533%0.328SS*.  trans-113.329.7177.7-64.8179.3-24.800110.7S209Q202-S209 PolarHBondContact N-O 2.65Å
203S91.6Very high94Very high41 Ų4164.4 Ų64.429%0.28733%0.325SS..  trans-72138.7-178.7-56.10000111.6N201 H207 T208 S209N201-S203 WeakPolarHBondContact OD1-CB 3.36Å; N201-S203 PolarHBondContact OD1-N 3.5Å; N201-S203 PolarHBondContact OD1-OG 3.25Å; S203-H207 CarbonylContact C-O 3.6Å; S203-H207 VanDerWaalsContact CA-O 3.25Å; S203-H207 WeakPolarHBondContact CA-O 3.37Å; S203-T208 WeakPolarHBondContact OG-CA 3.42Å; S203-S209 PolarHBondContact OG-N 2.7Å; S203-S209 VanDerWaalsContact OG-N 3.07Å
204T89.8Confident94.1Very high93 Ų9365.7 Ų65.757%0.57133%0.329SS*.BIsolated β-bridgetrans-121.7177.1170.968.30000109N206 H207T204-N206 PolarHBondContact O-N 3.43Å; T204-N206 VanDerWaalsContact O-N 3.13Å; T204-H207 PolarHBondContact N-O 2.85Å; T204-H207 PolarHBondContact O-N 3.4Å; T204-H207 VanDerWaalsContact O-O 3.1Å
205Q85.6Confident94.2Very high186 Ų18664.3 Ų64.387%0.86932%0.322SS*.THydrogen-bonded Turntrans-54.7-35.9-173.3-169.7174.13.200114.3
206N88.3Confident94.2Very high79 Ų7963.9 Ų63.942%0.42232%0.32SS..THydrogen-bonded Turntrans-112.6-0.2-176.5-67.2-21.4000113.8T204 L235T204-N206 PolarHBondContact O-N 3.43Å; T204-N206 VanDerWaalsContact O-N 3.13Å; N206-L235 PolarHBondContact O-N 2.82Å
207H91.3Very high94.1Very high62 Ų6266.7 Ų66.729%0.28733%0.331SS..EExtended strand (participates in β ladder)trans-142113.8-174.4174.5-113.1000110.2S203 T204 S209 R233 L234S203-H207 CarbonylContact C-O 3.6Å; S203-H207 VanDerWaalsContact CA-O 3.25Å; S203-H207 WeakPolarHBondContact CA-O 3.37Å; T204-H207 PolarHBondContact N-O 2.85Å; T204-H207 PolarHBondContact O-N 3.4Å; T204-H207 VanDerWaalsContact O-O 3.1Å; H207-S209 VanDerWaalsContact CE1-CB 3.49Å; H207-S209 WeakPolarHBondContact CE1-CB 3.4Å; H207-R233 CarbonylContact C-O 3.57Å; H207-R233 VanDerWaalsContact CA-O 3.3Å; H207-R233 WeakPolarHBondContact CA-O 3.5Å; H207-L234 HydrophobicContact CB-CD1 4.09Å
208T93Very high93.9Very high40 Ų4062.7 Ų62.725%0.24531%0.314CS..EExtended strand (participates in β ladder)trans-92.3129.8172510000109.5S203 S232 R233S203-T208 WeakPolarHBondContact OG-CA 3.42Å; T208-S232 CarbonylContact O-C 3.46Å; T208-S232 VanDerWaalsContact O-CA 3.22Å; T208-S232 WeakPolarHBondContact O-CA 3.28Å; T208-R233 PolarHBondContact N-O 2.82Å; T208-R233 PolarHBondContact O-N 2.84Å; T208-R233 VanDerWaalsContact OG1-CB 3.29Å; T208-R233 WeakPolarHBondContact OG1-CB 3.36Å; T208-R233 PolarHBondContact OG1-O 2.83Å
209S95.3Very high93.5Very high16 Ų1665.3 Ų65.311%0.11233%0.331CS..EExtended strand (participates in β ladder)trans-141.4119.5-179.6-179.60000110.9Q202 S203 H207 H231Q202-S209 PolarHBondContact N-O 2.65Å; S203-S209 PolarHBondContact OG-N 2.7Å; S203-S209 VanDerWaalsContact OG-N 3.07Å; H207-S209 VanDerWaalsContact CE1-CB 3.49Å; H207-S209 WeakPolarHBondContact CE1-CB 3.4Å; S209-H231 CarbonylContact C-O 3.54Å; S209-H231 WeakPolarHBondContact CA-O 3.48Å
210Y95.6Very high92.9Very high86 Ų8665.1 Ų65.134%0.33733%0.331SS..EExtended strand (participates in β ladder)trans-123.7135.4177.9-52.9-63.3000109.9F199 K200 N201 H231F199-Y210 HydrophobicContact CE2-CD1 4.12Å; F199-Y210 HydrophobicContact CE2-CG 4.38Å; F199-Y210 AromaticContact CZ-CD1 3.68Å; F199-Y210 HydrophobicContact CZ-CD1 3.68Å; F199-Y210 HydrophobicContact CZ-CE1 4.32Å; F199-Y210 HydrophobicContact CZ-CG 4.37Å; K200-Y210 WeakPolarHBondContact O-CA 3.41Å; N201-Y210 HydrophobicContact CB-CD1 4.2Å; N201-Y210 HydrophobicContact CB-CE1 4.31Å; N201-Y210 WeakPolarHBondContact OD1-CE1 3.46Å; Y210-H231 AromaticContact CD2-CD2 3.97Å; Y210-H231 PolarHBondContact N-O 2.92Å; Y210-H231 PolarHBondContact O-N 3.01Å
211T96.9Very high92.6Very high16 Ų1668.5 Ų68.510%0.09835%0.345CS..EExtended strand (participates in β ladder)trans-127.6120.1171.9-60.60000108.8F199 K200 E213 M230F199-T211 CarbonylContact C-O 3.59Å; F199-T211 WeakPolarHBondContact CA-O 3.34Å; K200-T211 PolarHBondContact N-O 3.13Å; K200-T211 PolarHBondContact O-N 3.33Å; T211-E213 HydrophobicContact CG2-CG 3.98Å; T211-M230 HydrophobicContact CG2-CG 4.26Å
212L97.1Very high92.3Very high67 Ų6772.4 Ų72.435%0.35137%0.366SS..EExtended strand (participates in β ladder)trans-109.4126.4172.4177.874.6000108.1S198 F199 Q228 L229S198-L212 CarbonylContact O-C 3.52Å; S198-L212 WeakPolarHBondContact O-CA 3.15Å; F199-L212 HydrophobicContact CB-CD1 4.41Å; L212-Q228 CarbonylContact O-C 3.53Å; L212-Q228 WeakPolarHBondContact O-CA 2.94Å; L212-L229 HydrophobicContact CB-CB 4.27Å; L212-L229 HydrophobicContact CD2-CD2 4.43Å; L212-L229 PolarHBondContact N-O 2.96Å; L212-L229 PolarHBondContact O-N 3.06Å
213E97.3Very high92.3Very high32 Ų3268.6 Ų68.615%0.1535%0.349CS..EExtended strand (participates in β ladder)trans-126.1135.9172.5-48.7-164.2163.200110.7Q197 S198 T211 R226 T227 Q228Q197-E213 CarbonylContact C-O 3.51Å; Q197-E213 WeakPolarHBondContact CA-O 3.44Å; S198-E213 PolarHBondContact N-O 2.9Å; S198-E213 PolarHBondContact O-N 2.93Å; S198-E213 WeakPolarHBondContact OG-CB 3.45Å; T211-E213 HydrophobicContact CG2-CG 3.98Å; E213-R226 IonicContact OE1-NH2 3.18Å; E213-R226 PolarHBondContact OE1-NH2 2.94Å; E213-R226 IonicContact OE2-CZ 2.72Å; E213-R226 IonicContact OE2-NE 3.42Å; E213-R226 IonicContact OE2-NH2 3.85Å; E213-R226 PolarHBondContact OE2-NH2 2.85Å; E213-T227 CarbonylContact C-O 3.58Å; E213-T227 WeakPolarHBondContact CA-O 3.35Å; E213-Q228 HydrophobicContact CB-CG 4.46Å; E213-Q228 HydrophobicContact CG-CG 4.06Å; E213-Q228 PolarHBondContact OE1-NE2 2.76Å
214F96.9Very high92.4Very high74 Ų7469.8 Ų69.833%0.32535%0.353SS..EExtended strand (participates in β ladder)trans-124.7129.2172.6178.1-91.3000108.5L195 S196 L216 Y225 R226 T227L195-F214 HydrophobicContact CD1-CD2 4.43Å; L195-F214 HydrophobicContact CD1-CE1 4.36Å; L195-F214 HydrophobicContact CD1-CE2 3.4Å; L195-F214 VanDerWaalsContact CD1-CE2 3.4Å; L195-F214 HydrophobicContact CD1-CZ 3.35Å; S196-F214 CarbonylContact O-C 3.56Å; S196-F214 WeakPolarHBondContact O-CA 3.14Å; F214-L216 HydrophobicContact CE1-CB 3.9Å; F214-L216 HydrophobicContact CZ-CB 4.37Å; F214-Y225 AromaticContact CD1-CD1 3.98Å; F214-Y225 HydrophobicContact CD1-CD1 3.98Å; F214-Y225 AromaticContact CD1-CE1 3.85Å; F214-Y225 HydrophobicContact CD1-CE1 3.85Å; F214-Y225 AromaticContact CE1-CD1 3.96Å; F214-Y225 HydrophobicContact CE1-CD1 3.96Å; F214-Y225 HydrophobicContact CE1-CE1 4Å; F214-R226 CarbonylContact O-C 3.59Å; F214-R226 WeakPolarHBondContact O-CA 3.41Å; F214-T227 PolarHBondContact N-O 2.86Å; F214-T227 PolarHBondContact O-N 2.81Å
215N96.4Very high92.6Very high30 Ų3068.7 Ų68.716%0.1634%0.339CS..EExtended strand (participates in β ladder)trans-128.1134.3178.2-57.8-62.1000109.2S196 Y225 R226S196-N215 PolarHBondContact N-O 2.79Å; S196-N215 PolarHBondContact O-N 3.3Å; N215-Y225 CarbonylContact C-O 3.53Å; N215-Y225 WeakPolarHBondContact CA-O 3.35Å; N215-R226 WeakPolarHBondContact OD1-CB 3.38Å; N215-R226 WeakPolarHBondContact OD1-CD 3.19Å; N215-R226 WeakPolarHBondContact OD1-CG 3.43Å; N215-R226 PolarHBondContact OD1-NE 3.33Å
216L95.8Very high93.1Very high46 Ų4664.3 Ų64.324%0.24131%0.314CS..EExtended strand (participates in β ladder)trans-132.4119.9174.2171.566.3000108L193 L194 L195 F214 V218 L223 Y225L193-L216 HydrophobicContact CD1-CD1 3.47Å; L193-L216 VanDerWaalsContact CD1-CD1 3.47Å; L194-L216 WeakPolarHBondContact O-CA 3.45Å; L195-L216 HydrophobicContact CD1-CD1 4.37Å; F214-L216 HydrophobicContact CE1-CB 3.9Å; F214-L216 HydrophobicContact CZ-CB 4.37Å; L216-V218 HydrophobicContact CD1-CG2 4.26Å; L216-L223 HydrophobicContact CD2-CD2 3.91Å; L216-L223 HydrophobicContact CG-CD2 3.87Å; L216-Y225 HydrophobicContact CB-CD1 4.41Å; L216-Y225 PolarHBondContact N-O 3.07Å; L216-Y225 PolarHBondContact O-N 2.81Å
217Q94.6Very high93.5Very high74 Ų7461.8 Ų61.835%0.34630%0.301SS..EExtended strand (participates in β ladder)trans-123.4128.8176.4-58.8176.65.800109.6L194 L223L194-Q217 HydrophobicContact CB-CB 4.24Å; L194-Q217 PolarHBondContact N-O 2.78Å; L194-Q217 PolarHBondContact O-N 3.03Å; Q217-L223 CarbonylContact C-O 3.55Å; Q217-L223 WeakPolarHBondContact CA-O 3.37Å
218V92.6Very high93.8Very high21 Ų2160.6 Ų60.613%0.12730%0.296CS..EExtended strand (participates in β ladder)trans-131.786.8173.5-171.80000106.8L193 L216 E220 K221 N222 L223L193-V218 HydrophobicContact CD1-CG2 3.58Å; L216-V218 HydrophobicContact CD1-CG2 4.26Å; V218-E220 PolarHBondContact O-N 2.83Å; V218-K221 HydrophobicContact CB-CB 4.47Å; V218-K221 HydrophobicContact CG1-CB 4.13Å; V218-K221 HydrophobicContact CG1-CD 4.47Å; V218-K221 HydrophobicContact CG1-CG 4.14Å; V218-K221 PolarHBondContact O-N 2.86Å; V218-K221 VanDerWaalsContact O-N 3.14Å; V218-N222 PolarHBondContact O-N 2.84Å; V218-L223 HydrophobicContact CB-CB 4.2Å; V218-L223 HydrophobicContact CB-CD2 4.44Å; V218-L223 HydrophobicContact CG2-CD2 4.11Å; V218-L223 PolarHBondContact N-O 2.85Å; V218-L223 PolarHBondContact O-N 2.99Å
219P87.7Confident94Very high68 Ų6861.9 Ų61.944%0.44230%0.301SS..G310 helixtrans-54.5-36.6-174.7-29.639.3000113.6T192 K221 N222T192-P219 VanDerWaalsContact O-CD 3.28Å; T192-P219 WeakPolarHBondContact O-CD 3.45Å; T192-P219 WeakPolarHBondContact OG1-CD 3.37Å; T192-P219 WeakPolarHBondContact OG1-CG 3.5Å; P219-K221 PolarHBondContact O-N 2.88Å; P219-N222 PolarHBondContact O-N 2.86Å
220E85.1Confident94.1Very high70 Ų7064.9 Ų64.933%0.32732%0.315SS..G310 helixtrans-71.8-21.2-175.3-53.178.5-160.800112.6Y191 T192 V218Y191-E220 VanDerWaalsContact CA-OE1 3.27Å; Y191-E220 WeakPolarHBondContact CA-OE1 3.18Å; Y191-E220 HydrophobicContact CD1-CB 3.88Å; Y191-E220 HydrophobicContact CD1-CG 3.52Å; Y191-E220 HydrophobicContact CE1-CB 4.24Å; Y191-E220 HydrophobicContact CE1-CG 4.12Å; Y191-E220 HydrophobicContact CG-CG 4.32Å; T192-E220 VanDerWaalsContact N-CD 3.29Å; T192-E220 PolarHBondContact N-OE1 2.81Å; T192-E220 PolarHBondContact N-OE2 2.8Å; T192-E220 PolarHBondContact OG1-OE1 2.83Å; V218-E220 PolarHBondContact O-N 2.83Å
221K87.1Confident94.2Very high166 Ų16663.4 Ų63.472%0.72231%0.31SS*.G310 helixtrans-98.47.6171.6-67.6-168175.1-176.80112.8V218 P219 L223V218-K221 HydrophobicContact CB-CB 4.47Å; V218-K221 HydrophobicContact CG1-CB 4.13Å; V218-K221 HydrophobicContact CG1-CD 4.47Å; V218-K221 HydrophobicContact CG1-CG 4.14Å; V218-K221 PolarHBondContact O-N 2.86Å; V218-K221 VanDerWaalsContact O-N 3.14Å; P219-K221 PolarHBondContact O-N 2.88Å; K221-L223 HydrophobicContact CB-CB 4.25Å; K221-L223 PolarHBondContact O-N 2.96Å; K221-L223 VanDerWaalsContact O-N 3.17Å
222N88.2Confident94.1Very high131 Ų13164.2 Ų64.270%0.70132%0.317SS*.THydrogen-bonded Turntrans47.139.9-169-67.9-45.6000111.6V218 P219 N250V218-N222 PolarHBondContact O-N 2.84Å; P219-N222 PolarHBondContact O-N 2.86Å; N222-N250 PolarHBondContact O-ND2 2.9Å; N222-N250 PolarHBondContact O-OD1 3.18Å
223L92Very high93.9Very high42 Ų4266.1 Ų66.122%0.2232%0.319CS..EExtended strand (participates in β ladder)trans-105.1116.5-177.1-176.7141.4000109.5L216 Q217 V218 K221 Y249 N250L216-L223 HydrophobicContact CD2-CD2 3.91Å; L216-L223 HydrophobicContact CG-CD2 3.87Å; Q217-L223 CarbonylContact C-O 3.55Å; Q217-L223 WeakPolarHBondContact CA-O 3.37Å; V218-L223 HydrophobicContact CB-CB 4.2Å; V218-L223 HydrophobicContact CB-CD2 4.44Å; V218-L223 HydrophobicContact CG2-CD2 4.11Å; V218-L223 PolarHBondContact N-O 2.85Å; V218-L223 PolarHBondContact O-N 2.99Å; K221-L223 HydrophobicContact CB-CB 4.25Å; K221-L223 PolarHBondContact O-N 2.96Å; K221-L223 VanDerWaalsContact O-N 3.17Å; L223-Y249 HydrophobicContact CD1-CE2 3.98Å; L223-Y249 HydrophobicContact CG-CE2 4.19Å; L223-N250 WeakPolarHBondContact CA-OD1 3.32Å
224N94Very high93.7Very high66 Ų6667.5 Ų67.535%0.35333%0.327SS..EExtended strand (participates in β ladder)trans-129.298173.7-177.74.6000108Y249 N250N224-Y249 WeakPolarHBondContact O-CA 3.46Å; N224-N250 PolarHBondContact N-OD1 2.92Å; N224-N250 PolarHBondContact O-N 2.87Å
225Y94.9Very high93.2Very high70 Ų7067.9 Ų67.928%0.27533%0.332SS..EExtended strand (participates in β ladder)trans-109128.8-178.5177.5-98.9000110.1F214 N215 L216 T227 I247 N248 Y249F214-Y225 AromaticContact CD1-CD1 3.98Å; F214-Y225 HydrophobicContact CD1-CD1 3.98Å; F214-Y225 AromaticContact CD1-CE1 3.85Å; F214-Y225 HydrophobicContact CD1-CE1 3.85Å; F214-Y225 AromaticContact CE1-CD1 3.96Å; F214-Y225 HydrophobicContact CE1-CD1 3.96Å; F214-Y225 HydrophobicContact CE1-CE1 4Å; N215-Y225 CarbonylContact C-O 3.53Å; N215-Y225 WeakPolarHBondContact CA-O 3.35Å; L216-Y225 HydrophobicContact CB-CD1 4.41Å; L216-Y225 PolarHBondContact N-O 3.07Å; L216-Y225 PolarHBondContact O-N 2.81Å; Y225-T227 WeakPolarHBondContact CE1-OG1 3.41Å; Y225-T227 PolarHBondContact OH-OG1 2.86Å; Y225-I247 HydrophobicContact CD2-CG2 4.28Å; Y225-I247 HydrophobicContact CE2-CG2 3.47Å; Y225-I247 VanDerWaalsContact CE2-CG2 3.47Å; Y225-N248 WeakPolarHBondContact CA-O 3.24Å; Y225-Y249 HydrophobicContact CD2-CD2 4.29Å
226R95.9Very high91.9Very high94 Ų9472.6 Ų72.636%0.35535%0.354SS..EExtended strand (participates in β ladder)trans-135.6126.1177.3171.4168-162.9-1658.3110.3E213 F214 N215 Q228 I247 N248E213-R226 IonicContact OE1-NH2 3.18Å; E213-R226 PolarHBondContact OE1-NH2 2.94Å; E213-R226 IonicContact OE2-CZ 2.72Å; E213-R226 IonicContact OE2-NE 3.42Å; E213-R226 IonicContact OE2-NH2 3.85Å; E213-R226 PolarHBondContact OE2-NH2 2.85Å; F214-R226 CarbonylContact O-C 3.59Å; F214-R226 WeakPolarHBondContact O-CA 3.41Å; N215-R226 WeakPolarHBondContact OD1-CB 3.38Å; N215-R226 WeakPolarHBondContact OD1-CD 3.19Å; N215-R226 WeakPolarHBondContact OD1-CG 3.43Å; N215-R226 PolarHBondContact OD1-NE 3.33Å; R226-Q228 HydrophobicContact CG-CG 4.08Å; R226-Q228 VanDerWaalsContact CZ-NE2 3.29Å; R226-I247 CarbonylContact O-C 3.59Å; R226-N248 HydrophobicContact CB-CB 4.29Å; R226-N248 PolarHBondContact N-O 2.82Å; R226-N248 PolarHBondContact O-N 2.82Å
227T96.8Very high90.7Very high26 Ų2678.7 Ų78.716%0.1638%0.38CS..EExtended strand (participates in β ladder)trans-118.6128.6173.1-59.80000109.6E213 F214 Y225 L245 K246 I247E213-T227 CarbonylContact C-O 3.58Å; E213-T227 WeakPolarHBondContact CA-O 3.35Å; F214-T227 PolarHBondContact N-O 2.86Å; F214-T227 PolarHBondContact O-N 2.81Å; Y225-T227 WeakPolarHBondContact CE1-OG1 3.41Å; Y225-T227 PolarHBondContact OH-OG1 2.86Å; T227-L245 HydrophobicContact CG2-CD1 3.81Å; T227-K246 CarbonylContact C-O 3.54Å; T227-K246 WeakPolarHBondContact CA-O 3.37Å; T227-I247 HydrophobicContact CG2-CG1 4.21Å
228Q96.9Very high90.1Very high37 Ų3776 Ų7617%0.17337%0.373CS..EExtended strand (participates in β ladder)trans-124124.8177.2-60.8178.1-67.600109.2L212 E213 R226 L245 K246L212-Q228 CarbonylContact O-C 3.53Å; L212-Q228 WeakPolarHBondContact O-CA 2.94Å; E213-Q228 HydrophobicContact CB-CG 4.46Å; E213-Q228 HydrophobicContact CG-CG 4.06Å; E213-Q228 PolarHBondContact OE1-NE2 2.76Å; R226-Q228 HydrophobicContact CG-CG 4.08Å; R226-Q228 VanDerWaalsContact CZ-NE2 3.29Å; Q228-L245 WeakPolarHBondContact O-CA 3.39Å; Q228-K246 HydrophobicContact CB-CB 4.47Å; Q228-K246 PolarHBondContact N-O 3.46Å; Q228-K246 PolarHBondContact O-N 2.84Å
229L97.6Very high90Very high68 Ų6875.9 Ų75.936%0.35637%0.372SS..EExtended strand (participates in β ladder)trans-115.3117.9170.7175.869.6000108L212 T243 H244 L245L212-L229 HydrophobicContact CB-CB 4.27Å; L212-L229 HydrophobicContact CD2-CD2 4.43Å; L212-L229 PolarHBondContact N-O 2.96Å; L212-L229 PolarHBondContact O-N 3.06Å; L229-T243 HydrophobicContact CD1-CG2 3.77Å; L229-H244 CarbonylContact C-O 3.55Å; L229-H244 WeakPolarHBondContact CA-O 3.41Å; L229-L245 HydrophobicContact CB-CD1 4.48Å; L229-L245 HydrophobicContact CD1-CB 4.44Å
230M97Very high90.3Very high79 Ų7975.9 Ų75.939%0.38937%0.367SS..EExtended strand (participates in β ladder)trans-115.7128.9178.5-58.4176.671.700108.4T211 T243 H244T211-M230 HydrophobicContact CG2-CG 4.26Å; M230-T243 CarbonylContact O-C 3.57Å; M230-T243 VanDerWaalsContact O-CA 3.3Å; M230-T243 WeakPolarHBondContact O-CA 3.19Å; M230-H244 HydrophobicContact CB-CB 4.45Å; M230-H244 PolarHBondContact N-O 2.95Å; M230-H244 PolarHBondContact O-N 2.84Å
231H96.6Very high90.7Very high54 Ų5473.7 Ų73.725%0.2536%0.359CS..EExtended strand (participates in β ladder)trans-128.6130.2174.2178.673.9000109.5S209 Y210 S242 T243S209-H231 CarbonylContact C-O 3.54Å; S209-H231 WeakPolarHBondContact CA-O 3.48Å; Y210-H231 AromaticContact CD2-CD2 3.97Å; Y210-H231 PolarHBondContact N-O 2.92Å; Y210-H231 PolarHBondContact O-N 3.01Å; H231-S242 CarbonylContact C-O 3.6Å; H231-S242 WeakPolarHBondContact CA-O 3.4Å; H231-T243 PolarHBondContact ND1-OG1 2.79Å
232S95.7Very high91.1Very high33 Ų3366.8 Ų66.823%0.23133%0.332CS..EExtended strand (participates in β ladder)trans-131.4145.3170.8550000110.3T208 S241 S242T208-S232 CarbonylContact O-C 3.46Å; T208-S232 VanDerWaalsContact O-CA 3.22Å; T208-S232 WeakPolarHBondContact O-CA 3.28Å; S232-S241 CarbonylContact O-C 3.55Å; S232-S241 VanDerWaalsContact O-CA 3.27Å; S232-S241 WeakPolarHBondContact O-CA 3.42Å; S232-S242 PolarHBondContact N-O 2.83Å; S232-S242 PolarHBondContact O-N 3.28Å; S232-S242 PolarHBondContact OG-OG 3.29Å
233R93.8Very high91.6Very high108 Ų10862.7 Ų62.741%0.40831%0.311SS..EExtended strand (participates in β ladder)trans-142.5130.8171.4166.5-168.4-169.8-167.22.7110.4H207 T208 S239 E240H207-R233 CarbonylContact C-O 3.57Å; H207-R233 VanDerWaalsContact CA-O 3.3Å; H207-R233 WeakPolarHBondContact CA-O 3.5Å; T208-R233 PolarHBondContact N-O 2.82Å; T208-R233 PolarHBondContact O-N 2.84Å; T208-R233 VanDerWaalsContact OG1-CB 3.29Å; T208-R233 WeakPolarHBondContact OG1-CB 3.36Å; T208-R233 PolarHBondContact OG1-O 2.83Å; R233-S239 PolarHBondContact NE-OG 2.83Å; R233-S239 PolarHBondContact NH2-OG 2.84Å; R233-E240 CarbonylContact C-O 3.56Å; R233-E240 WeakPolarHBondContact CA-O 3.37Å
234L92.3Very high91.8Very high60 Ų6064.3 Ų64.331%0.31432%0.318SS..EExtended strand (participates in β ladder)trans-115.2134.6-177.5-175.369.2000109.9H207 Q236 S239 E240H207-L234 HydrophobicContact CB-CD1 4.09Å; L234-Q236 HydrophobicContact CD1-CB 4.49Å; L234-Q236 HydrophobicContact CG-CB 4.34Å; L234-S239 WeakPolarHBondContact O-CA 3.42Å; L234-E240 PolarHBondContact N-O 3.43Å; L234-E240 PolarHBondContact O-N 2.9Å
235L86.3Confident91.9Very high83 Ų8363.7 Ų63.744%0.43531%0.314SS..  trans-106.11.8-177.5-70.6166.3000114.4N206 H237 G238N206-L235 PolarHBondContact O-N 2.82Å; L235-H237 PolarHBondContact O-N 2.84Å; L235-G238 CarbonylContact C-O 3.54Å; L235-G238 VanDerWaalsContact CA-O 3.3Å; L235-G238 WeakPolarHBondContact CA-O 3.46Å
236Q69.8Low92Very high129 Ų12964.4 Ų64.460%0.60332%0.319SS*.THydrogen-bonded Turntrans-76.9105.2176.5-99.5174.4-22.800109.9L234L234-Q236 HydrophobicContact CD1-CB 4.49Å; L234-Q236 HydrophobicContact CG-CB 4.34Å
237H70.8Confident92Very high174 Ų17461.4 Ų61.481%0.80631%0.309SS*.THydrogen-bonded Turntrans76.542.8179-59.169.2000116.2L235L235-H237 PolarHBondContact O-N 2.84Å
238G81.3Confident91.9Very high18 Ų1862.2 Ų62.219%0.18631%0.313CS..SBendtrans123.3-156.3-179.200000109.7L235 S263L235-G238 CarbonylContact C-O 3.54Å; L235-G238 VanDerWaalsContact CA-O 3.3Å; L235-G238 WeakPolarHBondContact CA-O 3.46Å; G238-S263 WeakPolarHBondContact CA-O 3.45Å
239S90.1Very high91.6Very high17 Ų1765.4 Ų65.412%0.11932%0.324CS..EExtended strand (participates in β ladder)trans-126.5115170.3170.30000108.4R233 L234 S263R233-S239 PolarHBondContact NE-OG 2.83Å; R233-S239 PolarHBondContact NH2-OG 2.84Å; L234-S239 WeakPolarHBondContact O-CA 3.42Å; S239-S263 VanDerWaalsContact CB-OG 3.31Å; S239-S263 WeakPolarHBondContact CB-OG 3.43Å; S239-S263 PolarHBondContact N-O 2.77Å; S239-S263 PolarHBondContact N-OG 2.82Å; S239-S263 PolarHBondContact O-N 2.94Å; S239-S263 PolarHBondContact O-OG 3.09Å
240E93.9Very high91.3Very high68 Ų6864.8 Ų64.832%0.31832%0.321SS..EExtended strand (participates in β ladder)trans-112.2120.3176.7-170.9169.7139.900107.7R233 L234 H260 W261 K262R233-E240 CarbonylContact C-O 3.56Å; R233-E240 WeakPolarHBondContact CA-O 3.37Å; L234-E240 PolarHBondContact N-O 3.43Å; L234-E240 PolarHBondContact O-N 2.9Å; E240-H260 VanDerWaalsContact CG-CE1 3.44Å; E240-H260 WeakPolarHBondContact CG-CE1 3.33Å; E240-H260 IonicContact OE1-CE1 3.72Å; E240-H260 PolarHBondContact OE1-CE1 2.92Å; E240-H260 VanDerWaalsContact OE1-CE1 3.28Å; E240-H260 IonicContact OE1-NE2 3.46Å; E240-W261 CarbonylContact C-O 3.59Å; E240-W261 WeakPolarHBondContact CA-O 3.44Å; E240-K262 HydrophobicContact CG-CB 4.46Å; E240-K262 HydrophobicContact CG-CG 4.44Å; E240-K262 WeakPolarHBondContact OE2-CE 3.32Å; E240-K262 IonicContact OE2-NZ 3.75Å; E240-K262 PolarHBondContact OE2-NZ 3.21Å
241S94.4Very high90.7Very high25 Ų2565.9 Ų65.918%0.17534%0.336CS..EExtended strand (participates in β ladder)trans-125.1134.5-179.362.70000110.7S232 H260 W261S232-S241 CarbonylContact O-C 3.55Å; S232-S241 VanDerWaalsContact O-CA 3.27Å; S232-S241 WeakPolarHBondContact O-CA 3.42Å; S241-H260 CarbonylContact O-C 3.56Å; S241-H260 WeakPolarHBondContact O-CA 3.49Å; S241-W261 PolarHBondContact N-O 3.16Å; S241-W261 PolarHBondContact O-N 3.33Å; S241-W261 PolarHBondContact OG-O 3.29Å
242S95.9Very high90.3Very high21 Ų2169 Ų6915%0.14735%0.354CS..EExtended strand (participates in β ladder)trans-128.3132.4173.439.50000110.9H231 S232 L259H231-S242 CarbonylContact C-O 3.6Å; H231-S242 WeakPolarHBondContact CA-O 3.4Å; S232-S242 PolarHBondContact N-O 2.83Å; S232-S242 PolarHBondContact O-N 3.28Å; S232-S242 PolarHBondContact OG-OG 3.29Å; S242-L259 CarbonylContact C-O 3.58Å; S242-L259 VanDerWaalsContact CA-O 3.32Å; S242-L259 WeakPolarHBondContact CA-O 2.9Å
243T97Very high90Very high44 Ų4472.9 Ų72.927%0.2737%0.37SS..EExtended strand (participates in β ladder)trans-125.6125.6176.2-55.70000108.8L229 M230 H231 G258 L259L229-T243 HydrophobicContact CD1-CG2 3.77Å; M230-T243 CarbonylContact O-C 3.57Å; M230-T243 VanDerWaalsContact O-CA 3.3Å; M230-T243 WeakPolarHBondContact O-CA 3.19Å; H231-T243 PolarHBondContact ND1-OG1 2.79Å; T243-G258 CarbonylContact O-C 3.5Å; T243-G258 WeakPolarHBondContact O-CA 3.3Å; T243-L259 PolarHBondContact N-O 3.43Å; T243-L259 PolarHBondContact O-N 2.82Å
244H97Very high89.9Confident77 Ų7770 Ų7036%0.35637%0.365SS..EExtended strand (participates in β ladder)trans-123131.3178.7-62.3-80.1000110.3L229 M230 A257L229-H244 CarbonylContact C-O 3.55Å; L229-H244 WeakPolarHBondContact CA-O 3.41Å; M230-H244 HydrophobicContact CB-CB 4.45Å; M230-H244 PolarHBondContact N-O 2.95Å; M230-H244 PolarHBondContact O-N 2.84Å; H244-A257 CarbonylContact C-O 3.53Å; H244-A257 WeakPolarHBondContact CA-O 3.37Å
245L97.1Very high89.9Confident53 Ų5369.1 Ų69.128%0.27736%0.361SS..EExtended strand (participates in β ladder)trans-116.2126.2172.5176.465.1000108.6T227 Q228 L229 I247 L255 V256 A257T227-L245 HydrophobicContact CG2-CD1 3.81Å; Q228-L245 WeakPolarHBondContact O-CA 3.39Å; L229-L245 HydrophobicContact CB-CD1 4.48Å; L229-L245 HydrophobicContact CD1-CB 4.44Å; L245-I247 HydrophobicContact CD1-CG1 4.47Å; L245-I247 HydrophobicContact CG-CG1 4.44Å; L245-L255 HydrophobicContact CD2-CD2 3.93Å; L245-V256 WeakPolarHBondContact O-CA 3.34Å; L245-A257 HydrophobicContact CB-CB 4.46Å; L245-A257 PolarHBondContact N-O 2.97Å; L245-A257 PolarHBondContact O-N 2.82Å
246K96.6Very high90.4Very high84 Ų8467.2 Ų67.237%0.36535%0.352SS..EExtended strand (participates in β ladder)trans-126.8125.3175.7-62.4-179.7-178.7177.40108.8T227 Q228 V256T227-K246 CarbonylContact C-O 3.54Å; T227-K246 WeakPolarHBondContact CA-O 3.37Å; Q228-K246 HydrophobicContact CB-CB 4.47Å; Q228-K246 PolarHBondContact N-O 3.46Å; Q228-K246 PolarHBondContact O-N 2.84Å; K246-V256 HydrophobicContact CG-CG1 4.38Å
247I95.9Very high91.7Very high31 Ų3162 Ų6216%0.15933%0.331CS..EExtended strand (participates in β ladder)trans-114.5126172.8-55.3-176.5000107.1Y225 R226 T227 L245 M253 P254 L255Y225-I247 HydrophobicContact CD2-CG2 4.28Å; Y225-I247 HydrophobicContact CE2-CG2 3.47Å; Y225-I247 VanDerWaalsContact CE2-CG2 3.47Å; R226-I247 CarbonylContact O-C 3.59Å; T227-I247 HydrophobicContact CG2-CG1 4.21Å; L245-I247 HydrophobicContact CD1-CG1 4.47Å; L245-I247 HydrophobicContact CG-CG1 4.44Å; I247-M253 WeakPolarHBondContact O-CA 3.41Å; I247-P254 HydrophobicContact CB-CG 4.27Å; I247-P254 HydrophobicContact CG2-CG 3.88Å; I247-P254 VanDerWaalsContact O-CD 3.24Å; I247-P254 WeakPolarHBondContact O-CD 3.4Å; I247-L255 HydrophobicContact CB-CB 4.25Å; I247-L255 HydrophobicContact CD1-CB 4.16Å; I247-L255 HydrophobicContact CD1-CD2 3.81Å; I247-L255 HydrophobicContact CG1-CB 4.29Å; I247-L255 HydrophobicContact CG1-CD2 4.43Å; I247-L255 PolarHBondContact N-O 3.18Å
248N93.4Very high93Very high44 Ų4453.9 Ų53.924%0.23530%0.295CS..EExtended strand (participates in β ladder)trans-118131.1174.8-172.4-35.7000108.5Y225 R226 S251 L252Y225-N248 WeakPolarHBondContact CA-O 3.24Å; R226-N248 HydrophobicContact CB-CB 4.29Å; R226-N248 PolarHBondContact N-O 2.82Å; R226-N248 PolarHBondContact O-N 2.82Å; N248-S251 VanDerWaalsContact OD1-CA 3.29Å; N248-S251 WeakPolarHBondContact OD1-CA 3.37Å; N248-S251 PolarHBondContact OD1-N 2.77Å; N248-L252 CarbonylContact C-O 3.42Å; N248-L252 VanDerWaalsContact CA-O 3.29Å; N248-L252 WeakPolarHBondContact CA-O 3.43Å; N248-L252 PolarHBondContact OD1-O 3.45Å
249Y91.9Very high93.7Very high103 Ų10357.3 Ų57.340%0.40431%0.308SS..EExtended strand (participates in β ladder)trans-132.3113.2176.5178.6-93.4000108L223 N224 Y225 S251 L252L223-Y249 HydrophobicContact CD1-CE2 3.98Å; L223-Y249 HydrophobicContact CG-CE2 4.19Å; N224-Y249 WeakPolarHBondContact O-CA 3.46Å; Y225-Y249 HydrophobicContact CD2-CD2 4.29Å; Y249-S251 VanDerWaalsContact C-N 3.27Å; Y249-S251 PolarHBondContact O-N 3.45Å; Y249-L252 PolarHBondContact N-O 2.95Å; Y249-L252 WeakPolarHBondContact O-CA 3.34Å; Y249-L252 VanDerWaalsContact O-CB 3.3Å; Y249-L252 WeakPolarHBondContact O-CB 3.45Å; Y249-L252 PolarHBondContact O-N 2.79Å
250N90.3Very high94.1Very high55 Ų5558.8 Ų58.829%0.29431%0.313SS..THydrogen-bonded Turntrans53.341177.4-63.9-6.1000113.8N222 L223 N224 L252N222-N250 PolarHBondContact O-ND2 2.9Å; N222-N250 PolarHBondContact O-OD1 3.18Å; L223-N250 WeakPolarHBondContact CA-OD1 3.32Å; N224-N250 PolarHBondContact N-OD1 2.92Å; N224-N250 PolarHBondContact O-N 2.87Å; N250-L252 PolarHBondContact O-N 2.85Å
251S84.4Confident94.1Very high102 Ų10260.2 Ų60.271%0.71332%0.316SS*.THydrogen-bonded Turntrans71.8-0.1-175.1-440000115.4N248 Y249N248-S251 VanDerWaalsContact OD1-CA 3.29Å; N248-S251 WeakPolarHBondContact OD1-CA 3.37Å; N248-S251 PolarHBondContact OD1-N 2.77Å; Y249-S251 VanDerWaalsContact C-N 3.27Å; Y249-S251 PolarHBondContact O-N 3.45Å
252L89.1Confident94.1Very high119 Ų11962.8 Ų62.862%0.62332%0.324SS*.EExtended strand (participates in β ladder)trans-89.8149168.1-56.9174000109.8N248 Y249 N250 P254N248-L252 CarbonylContact C-O 3.42Å; N248-L252 VanDerWaalsContact CA-O 3.29Å; N248-L252 WeakPolarHBondContact CA-O 3.43Å; N248-L252 PolarHBondContact OD1-O 3.45Å; Y249-L252 PolarHBondContact N-O 2.95Å; Y249-L252 WeakPolarHBondContact O-CA 3.34Å; Y249-L252 VanDerWaalsContact O-CB 3.3Å; Y249-L252 WeakPolarHBondContact O-CB 3.45Å; Y249-L252 PolarHBondContact O-N 2.79Å; N250-L252 PolarHBondContact O-N 2.85Å; L252-P254 VanDerWaalsContact C-CD 3.47Å; L252-P254 WeakPolarHBondContact O-CD 3.24Å
253M89.5Confident93.9Very high115 Ų11563.2 Ų63.257%0.56733%0.327SS*.EExtended strand (participates in β ladder)trans-106.984.7175-70.1-173.9168.100109.9I247 L255 V256I247-M253 WeakPolarHBondContact O-CA 3.41Å; M253-L255 PolarHBondContact O-N 3.28Å; M253-V256 HydrophobicContact CB-CG2 4.08Å; M253-V256 HydrophobicContact SD-CG2 4.01Å
254P90.4Very high93.5Very high47 Ų4762.3 Ų62.331%0.30532%0.322SS..EExtended strand (participates in β ladder)trans-64.1-25.8-179.825.2-36.9000113.5I247 L252 T281 P282I247-P254 HydrophobicContact CB-CG 4.27Å; I247-P254 HydrophobicContact CG2-CG 3.88Å; I247-P254 VanDerWaalsContact O-CD 3.24Å; I247-P254 WeakPolarHBondContact O-CD 3.4Å; L252-P254 VanDerWaalsContact C-CD 3.47Å; L252-P254 WeakPolarHBondContact O-CD 3.24Å; P254-T281 WeakPolarHBondContact O-CA 3.4Å; P254-P282 WeakPolarHBondContact O-CD 3.28Å
255L93.8Very high93Very high42 Ų4261.3 Ų61.322%0.2232%0.322CS..EExtended strand (participates in β ladder)trans-148.8126.5178179.366.5000111.3L245 I247 M253 A257 M279 D280 T281L245-L255 HydrophobicContact CD2-CD2 3.93Å; I247-L255 HydrophobicContact CB-CB 4.25Å; I247-L255 HydrophobicContact CD1-CB 4.16Å; I247-L255 HydrophobicContact CD1-CD2 3.81Å; I247-L255 HydrophobicContact CG1-CB 4.29Å; I247-L255 HydrophobicContact CG1-CD2 4.43Å; I247-L255 PolarHBondContact N-O 3.18Å; M253-L255 PolarHBondContact O-N 3.28Å; L255-A257 HydrophobicContact CD1-CB 4.45Å; L255-M279 HydrophobicContact CD1-CG 3.82Å; L255-M279 HydrophobicContact CD1-SD 4.31Å; L255-D280 WeakPolarHBondContact CA-O 3.45Å; L255-T281 HydrophobicContact CD1-CG2 3.59Å
256V96.2Very high92.1Very high43 Ų4367 Ų6726%0.26135%0.347SS..EExtended strand (participates in β ladder)trans-127.7115.8165.1-179.60000107.5L245 K246 M253 M279 D280L245-V256 WeakPolarHBondContact O-CA 3.34Å; K246-V256 HydrophobicContact CG-CG1 4.38Å; M253-V256 HydrophobicContact CB-CG2 4.08Å; M253-V256 HydrophobicContact SD-CG2 4.01Å; V256-M279 CarbonylContact O-C 3.47Å; V256-M279 WeakPolarHBondContact O-CA 3.4Å; V256-D280 PolarHBondContact N-O 2.83Å; V256-D280 PolarHBondContact O-N 2.85Å
257A97.4Very high91.3Very high19 Ų1970.7 Ų70.716%0.15737%0.371CS..EExtended strand (participates in β ladder)trans-125141177.900000110.9H244 L245 L255 S278H244-A257 CarbonylContact C-O 3.53Å; H244-A257 WeakPolarHBondContact CA-O 3.37Å; L245-A257 HydrophobicContact CB-CB 4.46Å; L245-A257 PolarHBondContact N-O 2.97Å; L245-A257 PolarHBondContact O-N 2.82Å; L255-A257 HydrophobicContact CD1-CB 4.45Å; A257-S278 CarbonylContact C-O 3.54Å; A257-S278 VanDerWaalsContact CA-O 3.24Å; A257-S278 WeakPolarHBondContact CA-O 3.27Å
258G97.1Very high90.6Very high4 Ų470.6 Ų70.64%0.04137%0.373CS..EExtended strand (participates in β ladder)trans-137.4129.3177.500000110.3T243 F277 S278T243-G258 CarbonylContact O-C 3.5Å; T243-G258 WeakPolarHBondContact O-CA 3.3Å; G258-F277 CarbonylContact O-C 3.57Å; G258-F277 WeakPolarHBondContact O-CA 3.38Å; G258-S278 PolarHBondContact N-O 2.74Å; G258-S278 PolarHBondContact O-N 2.78Å; G258-S278 PolarHBondContact O-OG 2.8Å
259L96.9Very high89.9Confident90 Ų9076.3 Ų76.347%0.47140%0.403SS..EExtended strand (participates in β ladder)trans-118.4125.1171.417767.2000107.9S242 T243 T276S242-L259 CarbonylContact C-O 3.58Å; S242-L259 VanDerWaalsContact CA-O 3.32Å; S242-L259 WeakPolarHBondContact CA-O 2.9Å; T243-L259 PolarHBondContact N-O 3.43Å; T243-L259 PolarHBondContact O-N 2.82Å; L259-T276 CarbonylContact C-O 3.56Å; L259-T276 WeakPolarHBondContact CA-O 3.46Å
260H96.7Very high89.4Confident48 Ų4877.9 Ų77.922%0.22241%0.414CS..EExtended strand (participates in β ladder)trans-125.6135.1174.4174.584.7000109E240 S241 G275 T276E240-H260 VanDerWaalsContact CG-CE1 3.44Å; E240-H260 WeakPolarHBondContact CG-CE1 3.33Å; E240-H260 IonicContact OE1-CE1 3.72Å; E240-H260 PolarHBondContact OE1-CE1 2.92Å; E240-H260 VanDerWaalsContact OE1-CE1 3.28Å; E240-H260 IonicContact OE1-NE2 3.46Å; S241-H260 CarbonylContact O-C 3.56Å; S241-H260 WeakPolarHBondContact O-CA 3.49Å; H260-G275 CarbonylContact O-C 3.53Å; H260-G275 VanDerWaalsContact O-CA 3.28Å; H260-G275 WeakPolarHBondContact O-CA 3.23Å; H260-T276 WeakPolarHBondContact CB-OG1 3.37Å; H260-T276 PolarHBondContact N-O 2.84Å; H260-T276 PolarHBondContact O-N 2.78Å
261W95.3Very high89.4Confident99 Ų9978.6 Ų78.638%0.37541%0.414SS..EExtended strand (participates in β ladder)trans-140.4130.8-176.7-175.3-97.2000110.3E240 S241 W273 E274 Y290E240-W261 CarbonylContact C-O 3.59Å; E240-W261 WeakPolarHBondContact CA-O 3.44Å; S241-W261 PolarHBondContact N-O 3.16Å; S241-W261 PolarHBondContact O-N 3.33Å; S241-W261 PolarHBondContact OG-O 3.29Å; W261-W273 HydrophobicContact CZ2-CB 4.23Å; W261-E274 CarbonylContact C-O 3.58Å; W261-E274 WeakPolarHBondContact CA-O 3.22Å; W261-Y290 HydrophobicContact CH2-CD1 4.17Å; W261-Y290 HydrophobicContact CH2-CE1 4.02Å; W261-Y290 HydrophobicContact CZ3-CD1 4.03Å; W261-Y290 HydrophobicContact CZ3-CE1 4.35Å
262K94.3Very high89.7Confident79 Ų7978.7 Ų78.734%0.34340%0.402SS..EExtended strand (participates in β ladder)trans-126.4122.3-179.8-173.4171.3-172.1143.40109.1E240 W273 E274E240-K262 HydrophobicContact CG-CB 4.46Å; E240-K262 HydrophobicContact CG-CG 4.44Å; E240-K262 WeakPolarHBondContact OE2-CE 3.32Å; E240-K262 IonicContact OE2-NZ 3.75Å; E240-K262 PolarHBondContact OE2-NZ 3.21Å; K262-W273 VanDerWaalsContact O-CA 3.29Å; K262-W273 WeakPolarHBondContact O-CA 3.25Å; K262-E274 HydrophobicContact CB-CB 4.26Å; K262-E274 PolarHBondContact N-O 2.84Å; K262-E274 PolarHBondContact O-N 2.85Å
263S90.9Very high90Very high29 Ų2975.5 Ų75.520%0.20338%0.381CS..EExtended strand (participates in β ladder)trans-113.1144.7175.669.30000111G238 S239G238-S263 WeakPolarHBondContact CA-O 3.45Å; S239-S263 VanDerWaalsContact CB-OG 3.31Å; S239-S263 WeakPolarHBondContact CB-OG 3.43Å; S239-S263 PolarHBondContact N-O 2.77Å; S239-S263 PolarHBondContact N-OG 2.82Å; S239-S263 PolarHBondContact O-N 2.94Å; S239-S263 PolarHBondContact O-OG 3.09Å
264P90.1Very high90.3Very high26 Ų2672.3 Ų72.317%0.16937%0.365CS..  trans-74.3160.5-176.832.4-32000111.4K271 K272 W273P264-K271 HydrophobicContact CB-CB 4.43Å; P264-K271 HydrophobicContact CG-CB 3.78Å; P264-K271 HydrophobicContact CG-CG 4.22Å; P264-K272 WeakPolarHBondContact CD-O 3.27Å; P264-W273 VanDerWaalsContact CD-CD1 3.48Å; P264-W273 HydrophobicContact CG-CD2 4.26Å; P264-W273 HydrophobicContact CG-CZ2 4.16Å
265P85.5Confident90.5Very high56 Ų5670.4 Ų70.436%0.36435%0.354SS..  trans-60.7148.4170.4-1525.9000111.6N267 S268P265-N267 VanDerWaalsContact C-N 3.28Å; P265-N267 PolarHBondContact O-N 3.02Å; P265-S268 WeakPolarHBondContact O-CB 3.41Å; P265-S268 PolarHBondContact O-N 2.88Å; P265-S268 PolarHBondContact O-OG 2.68Å
266E78.3Confident90.7Very high172 Ų17270.5 Ų70.580%0.80436%0.357SS*.THydrogen-bonded Turntrans-56.6-40.9-179.9-72.8-171.2156.800113.1S268 K271E266-S268 VanDerWaalsContact C-N 3.3Å; E266-S268 PolarHBondContact O-N 3.16Å; E266-K271 PolarHBondContact O-NZ 3.26Å
267N80.6Confident90.7Very high161 Ų16172.1 Ų72.186%0.86136%0.36SS*.THydrogen-bonded Turntrans-845.3-175.6-65.2-16.4000114.4P265P265-N267 VanDerWaalsContact C-N 3.28Å; P265-N267 PolarHBondContact O-N 3.02Å
268S81.1Confident90.7Very high30 Ų3073.3 Ų73.321%0.2137%0.367CS..  trans-75.7129.6179.661.30000112P265 E266 H270P265-S268 WeakPolarHBondContact O-CB 3.41Å; P265-S268 PolarHBondContact O-N 2.88Å; P265-S268 PolarHBondContact O-OG 2.68Å; E266-S268 VanDerWaalsContact C-N 3.3Å; E266-S268 PolarHBondContact O-N 3.16Å; S268-H270 VanDerWaalsContact C-N 3.32Å; S268-H270 PolarHBondContact OG-O 3.32Å
269L77.4Confident90.6Very high164 Ų16475.3 Ų75.386%0.85938%0.376SS*.SBendtrans-65.7-36.2173.6-71.5170.3000111.8
270H82.2Confident90.5Very high135 Ų13574.1 Ų74.163%0.62537%0.37SS*.SBendtrans-105.8107.3175-59.5-62.2000109.5S268 P295S268-H270 VanDerWaalsContact C-N 3.32Å; S268-H270 PolarHBondContact OG-O 3.32Å; H270-P295 PolarHBondContact CE1-O 2.76Å; H270-P295 PolarHBondContact ND1-O 2.79Å
271K89.8Confident90.4Very high70 Ų7073.3 Ų73.330%0.30437%0.369SS..EExtended strand (participates in β ladder)trans-91.2120.5179.7-61.5-166.5176.1-165.10109.7P264 E266 W273 S293 R294P264-K271 HydrophobicContact CB-CB 4.43Å; P264-K271 HydrophobicContact CG-CB 3.78Å; P264-K271 HydrophobicContact CG-CG 4.22Å; E266-K271 PolarHBondContact O-NZ 3.26Å; K271-W273 HydrophobicContact CB-CE3 4.38Å; K271-W273 HydrophobicContact CB-CH2 3.28Å; K271-W273 HydrophobicContact CB-CZ2 3.87Å; K271-W273 HydrophobicContact CB-CZ3 3.57Å; K271-W273 HydrophobicContact CD-CH2 3.94Å; K271-W273 HydrophobicContact CD-CZ2 4.09Å; K271-W273 HydrophobicContact CG-CH2 4.21Å; K271-W273 WeakPolarHBondContact O-CZ3 3.32Å; K271-S293 CarbonylContact O-C 3.57Å; K271-S293 WeakPolarHBondContact O-CA 3.37Å; K271-R294 HydrophobicContact CB-CB 4.25Å; K271-R294 PolarHBondContact N-O 2.82Å; K271-R294 PolarHBondContact O-N 2.99Å
272K92.1Very high90.1Very high104 Ų10473.5 Ų73.545%0.45238%0.383SS..EExtended strand (participates in β ladder)trans-124.9124.2177.2-166.6-172.2-167.2-1650109.6P264 E274 L292P264-K272 WeakPolarHBondContact CD-O 3.27Å; K272-E274 HydrophobicContact CD-CG 4.33Å; K272-E274 WeakPolarHBondContact CD-OE1 3.36Å; K272-E274 WeakPolarHBondContact CE-OE1 3.42Å; K272-E274 HydrophobicContact CG-CG 4.28Å; K272-E274 IonicContact NZ-OE1 2.84Å; K272-E274 PolarHBondContact NZ-OE1 2.82Å; K272-L292 CarbonylContact C-O 3.54Å; K272-L292 WeakPolarHBondContact CA-O 3.37Å
273W93.6Very high89.8Confident52 Ų5271.1 Ų71.120%0.19738%0.381CS..EExtended strand (participates in β ladder)trans-111.2133.5172.9-57.2-99.7000109W261 K262 P264 K271 R291 L292 R294W261-W273 HydrophobicContact CZ2-CB 4.23Å; K262-W273 VanDerWaalsContact O-CA 3.29Å; K262-W273 WeakPolarHBondContact O-CA 3.25Å; P264-W273 VanDerWaalsContact CD-CD1 3.48Å; P264-W273 HydrophobicContact CG-CD2 4.26Å; P264-W273 HydrophobicContact CG-CZ2 4.16Å; K271-W273 HydrophobicContact CB-CE3 4.38Å; K271-W273 HydrophobicContact CB-CH2 3.28Å; K271-W273 HydrophobicContact CB-CZ2 3.87Å; K271-W273 HydrophobicContact CB-CZ3 3.57Å; K271-W273 HydrophobicContact CD-CH2 3.94Å; K271-W273 HydrophobicContact CD-CZ2 4.09Å; K271-W273 HydrophobicContact CG-CH2 4.21Å; K271-W273 WeakPolarHBondContact O-CZ3 3.32Å; W273-R291 WeakPolarHBondContact O-CA 3.25Å; W273-L292 HydrophobicContact CB-CB 4.25Å; W273-L292 HydrophobicContact CD2-CD2 4.34Å; W273-L292 HydrophobicContact CE3-CB 4.09Å; W273-L292 HydrophobicContact CE3-CD2 3.8Å; W273-L292 HydrophobicContact CE3-CG 3.95Å; W273-L292 HydrophobicContact CZ3-CD2 4.17Å; W273-L292 HydrophobicContact CZ3-CG 4.39Å; W273-L292 PolarHBondContact N-O 3.44Å; W273-L292 PolarHBondContact O-N 2.81Å; W273-R294 HydrophobicContact CZ3-CB 4.13Å
274E95.7Very high89.9Confident49 Ų4971.5 Ų71.523%0.22938%0.379CS..EExtended strand (participates in β ladder)trans-128.1131.7178.9-56.2-178.3150.600108.8W261 K262 K272 Y290 R291W261-E274 CarbonylContact C-O 3.58Å; W261-E274 WeakPolarHBondContact CA-O 3.22Å; K262-E274 HydrophobicContact CB-CB 4.26Å; K262-E274 PolarHBondContact N-O 2.84Å; K262-E274 PolarHBondContact O-N 2.85Å; K272-E274 HydrophobicContact CD-CG 4.33Å; K272-E274 WeakPolarHBondContact CD-OE1 3.36Å; K272-E274 WeakPolarHBondContact CE-OE1 3.42Å; K272-E274 HydrophobicContact CG-CG 4.28Å; K272-E274 IonicContact NZ-OE1 2.84Å; K272-E274 PolarHBondContact NZ-OE1 2.82Å; E274-Y290 CarbonylContact C-O 3.59Å; E274-Y290 WeakPolarHBondContact CA-O 3.3Å; E274-R291 HydrophobicContact CG-CG 4.38Å
275G96.1Very high90.1Very high7 Ų773.9 Ų73.97%0.07239%0.385CS..EExtended strand (participates in β ladder)trans-129.2137.2176.400000109.5H260 A289 Y290H260-G275 CarbonylContact O-C 3.53Å; H260-G275 VanDerWaalsContact O-CA 3.28Å; H260-G275 WeakPolarHBondContact O-CA 3.23Å; G275-A289 CarbonylContact O-C 3.56Å; G275-A289 WeakPolarHBondContact O-CA 3.44Å; G275-Y290 PolarHBondContact N-O 2.8Å; G275-Y290 PolarHBondContact O-N 2.91Å
276T97.3Very high90.6Very high44 Ų4473.3 Ų73.327%0.2738%0.379SS..EExtended strand (participates in β ladder)trans-132.1139.516864.30000109.8L259 H260 A288 A289L259-T276 CarbonylContact C-O 3.56Å; L259-T276 WeakPolarHBondContact CA-O 3.46Å; H260-T276 WeakPolarHBondContact CB-OG1 3.37Å; H260-T276 PolarHBondContact N-O 2.84Å; H260-T276 PolarHBondContact O-N 2.78Å; T276-A288 CarbonylContact C-O 3.57Å; T276-A288 WeakPolarHBondContact CA-O 3.4Å; T276-A289 HydrophobicContact CG2-CB 4.13Å
277F97.1Very high91.4Very high77 Ų7769.2 Ų69.234%0.33836%0.357SS..EExtended strand (participates in β ladder)trans-127.1129.1175.4173.8-103.2000108G258 M279 I286 Y287 A288G258-F277 CarbonylContact O-C 3.57Å; G258-F277 WeakPolarHBondContact O-CA 3.38Å; F277-M279 HydrophobicContact CE1-CB 3.81Å; F277-M279 HydrophobicContact CZ-CB 3.71Å; F277-M279 HydrophobicContact CZ-CG 4.44Å; F277-M279 HydrophobicContact CZ-SD 4.3Å; F277-I286 HydrophobicContact CD1-CG2 4.46Å; F277-I286 HydrophobicContact CE1-CG2 4.37Å; F277-Y287 CarbonylContact O-C 3.53Å; F277-Y287 WeakPolarHBondContact O-CA 3.28Å; F277-A288 HydrophobicContact CB-CB 4.42Å; F277-A288 PolarHBondContact N-O 3Å; F277-A288 PolarHBondContact O-N 3.28Å
278S96.5Very high92.2Very high44 Ų4462.9 Ų62.931%0.30833%0.327SS..EExtended strand (participates in β ladder)trans-128.6135.9174.8560000108.5A257 G258 I286A257-S278 CarbonylContact C-O 3.54Å; A257-S278 VanDerWaalsContact CA-O 3.24Å; A257-S278 WeakPolarHBondContact CA-O 3.27Å; G258-S278 PolarHBondContact N-O 2.74Å; G258-S278 PolarHBondContact O-N 2.78Å; G258-S278 PolarHBondContact O-OG 2.8Å; S278-I286 CarbonylContact C-O 3.48Å; S278-I286 WeakPolarHBondContact CA-O 3.39Å
279M96.1Very high92.9Very high46 Ų4661.8 Ų61.823%0.22732%0.32CS..EExtended strand (participates in β ladder)trans-141.8124.5175.9-175.7-177.378.300108.7L255 V256 F277 T281 Y285 I286L255-M279 HydrophobicContact CD1-CG 3.82Å; L255-M279 HydrophobicContact CD1-SD 4.31Å; V256-M279 CarbonylContact O-C 3.47Å; V256-M279 WeakPolarHBondContact O-CA 3.4Å; F277-M279 HydrophobicContact CE1-CB 3.81Å; F277-M279 HydrophobicContact CZ-CB 3.71Å; F277-M279 HydrophobicContact CZ-CG 4.44Å; F277-M279 HydrophobicContact CZ-SD 4.3Å; M279-T281 HydrophobicContact CG-CG2 4.27Å; M279-Y285 CarbonylContact O-C 3.5Å; M279-Y285 WeakPolarHBondContact O-CA 3.35Å; M279-I286 HydrophobicContact CB-CB 4.47Å; M279-I286 HydrophobicContact CE-CD1 3.62Å; M279-I286 HydrophobicContact CE-CG1 4Å; M279-I286 PolarHBondContact N-O 2.87Å; M279-I286 PolarHBondContact O-N 3.01Å
280D94.6Very high93.7Very high65 Ų6557.6 Ų57.635%0.34829%0.293SS..EExtended strand (participates in β ladder)trans-122.4125.3174.8-165.812000109.9L255 V256 Y285 K310L255-D280 WeakPolarHBondContact CA-O 3.45Å; V256-D280 PolarHBondContact N-O 2.83Å; V256-D280 PolarHBondContact O-N 2.85Å; D280-Y285 HydrophobicContact CB-CD2 4.02Å; D280-K310 IonicContact OD1-NZ 2.77Å; D280-K310 PolarHBondContact OD1-NZ 2.61Å
281T93Very high94.4Very high31 Ų3157 Ų5719%0.1929%0.286CS..  trans-135.5160.5175.365.90000108.7P254 L255 M279 G283 Q284 K310P254-T281 WeakPolarHBondContact O-CA 3.4Å; L255-T281 HydrophobicContact CD1-CG2 3.59Å; M279-T281 HydrophobicContact CG-CG2 4.27Å; T281-G283 PolarHBondContact O-N 2.88Å; T281-G283 VanDerWaalsContact O-N 3.13Å; T281-Q284 PolarHBondContact N-O 3.07Å; T281-Q284 PolarHBondContact O-N 2.7Å; T281-Q284 PolarHBondContact OG1-N 3.04Å; T281-Q284 PolarHBondContact OG1-O 2.73Å; T281-K310 PolarHBondContact O-NZ 2.93Å
282P89.6Confident94.6Very high102 Ų10255.1 Ų55.166%0.66228%0.279SS*.SBendtrans-52.9-35.7176.8-29.735.4000114.2P254P254-P282 WeakPolarHBondContact O-CD 3.28Å
283G89.3Confident94.7Very high30 Ų3051.6 Ų51.631%0.30927%0.267SS..SBendtrans-91.8-25.1-177.800000115.5T281 K310 W311T281-G283 PolarHBondContact O-N 2.88Å; T281-G283 VanDerWaalsContact O-N 3.13Å; G283-K310 WeakPolarHBondContact O-CB 3.49Å; G283-W311 PolarHBondContact O-N 3.4Å
284Q92.4Very high94.5Very high37 Ų3754.4 Ų54.417%0.17328%0.278CS..EExtended strand (participates in β ladder)trans-149.8135.7-170.5-172.46246.800111.9T281 I286 S309T281-Q284 PolarHBondContact N-O 3.07Å; T281-Q284 PolarHBondContact O-N 2.7Å; T281-Q284 PolarHBondContact OG1-N 3.04Å; T281-Q284 PolarHBondContact OG1-O 2.73Å; Q284-I286 HydrophobicContact CG-CD1 4.16Å; Q284-I286 HydrophobicContact CG-CG1 3.84Å; Q284-S309 PolarHBondContact NE2-O 2.78Å
285Y94.1Very high94Very high75 Ų7554.4 Ų54.429%0.29428%0.282SS..EExtended strand (participates in β ladder)trans-112.9134.1166.9175.3-97.5000109.3M279 D280 A308 S309M279-Y285 CarbonylContact O-C 3.5Å; M279-Y285 WeakPolarHBondContact O-CA 3.35Å; D280-Y285 HydrophobicContact CB-CD2 4.02Å; Y285-A308 CarbonylContact O-C 3.52Å; Y285-A308 VanDerWaalsContact O-CA 3.28Å; Y285-A308 WeakPolarHBondContact O-CA 3.44Å; Y285-S309 WeakPolarHBondContact CB-OG 3.29Å; Y285-S309 PolarHBondContact N-O 2.81Å; Y285-S309 VanDerWaalsContact N-O 3.07Å; Y285-S309 PolarHBondContact O-N 2.81Å
286I95.4Very high93.5Very high45 Ų4557.1 Ų57.123%0.23130%0.295CS..EExtended strand (participates in β ladder)trans-132.9129.9176.5-54.5-176.6000108.6F277 S278 M279 Q284 L306 T307F277-I286 HydrophobicContact CD1-CG2 4.46Å; F277-I286 HydrophobicContact CE1-CG2 4.37Å; S278-I286 CarbonylContact C-O 3.48Å; S278-I286 WeakPolarHBondContact CA-O 3.39Å; M279-I286 HydrophobicContact CB-CB 4.47Å; M279-I286 HydrophobicContact CE-CD1 3.62Å; M279-I286 HydrophobicContact CE-CG1 4Å; M279-I286 PolarHBondContact N-O 2.87Å; M279-I286 PolarHBondContact O-N 3.01Å; Q284-I286 HydrophobicContact CG-CD1 4.16Å; Q284-I286 HydrophobicContact CG-CG1 3.84Å; I286-L306 HydrophobicContact CG2-CD1 4Å; I286-T307 CarbonylContact C-O 3.58Å; I286-T307 WeakPolarHBondContact CA-O 3.32Å
287Y95.7Very high92.8Very high85 Ų8565.7 Ų65.733%0.33332%0.322SS..EExtended strand (participates in β ladder)trans-127.8123.6168.4176.2-95.2000108.3F277 A289 L306 T307F277-Y287 CarbonylContact O-C 3.53Å; F277-Y287 WeakPolarHBondContact O-CA 3.28Å; Y287-A289 HydrophobicContact CE1-CB 3.97Å; Y287-L306 CarbonylContact O-C 3.53Å; Y287-L306 WeakPolarHBondContact O-CA 3.39Å; Y287-T307 PolarHBondContact N-O 2.81Å; Y287-T307 PolarHBondContact O-N 3.25Å
288A96.4Very high92.4Very high28 Ų2866.5 Ų66.523%0.23133%0.327CS..EExtended strand (participates in β ladder)trans-128127.2176.100000109.4T276 F277 E305 L306T276-A288 CarbonylContact C-O 3.57Å; T276-A288 WeakPolarHBondContact CA-O 3.4Å; F277-A288 HydrophobicContact CB-CB 4.42Å; F277-A288 PolarHBondContact N-O 3Å; F277-A288 PolarHBondContact O-N 3.28Å; A288-E305 CarbonylContact C-O 3.53Å; A288-E305 VanDerWaalsContact CA-O 3.25Å; A288-E305 WeakPolarHBondContact CA-O 3.25Å; A288-L306 HydrophobicContact CB-CD1 4.02Å
289A96.6Very high92.2Very high8 Ų864.7 Ų64.77%0.06632%0.315CS..EExtended strand (participates in β ladder)trans-117.9139.4173.300000109.5G275 T276 Y287 S304 E305G275-A289 CarbonylContact O-C 3.56Å; G275-A289 WeakPolarHBondContact O-CA 3.44Å; T276-A289 HydrophobicContact CG2-CB 4.13Å; Y287-A289 HydrophobicContact CE1-CB 3.97Å; A289-S304 CarbonylContact O-C 3.56Å; A289-S304 VanDerWaalsContact O-CA 3.28Å; A289-S304 WeakPolarHBondContact O-CA 3.14Å; A289-E305 HydrophobicContact CB-CB 4.33Å; A289-E305 PolarHBondContact N-O 2.99Å; A289-E305 PolarHBondContact O-N 3.28Å
290Y95.2Very high92.1Very high76 Ų7665.3 Ų65.330%0.29832%0.318SS..EExtended strand (participates in β ladder)trans-130.8131.7-177.6172.4-91.5000108.7W261 E274 G275 L292 L302 T303W261-Y290 HydrophobicContact CH2-CD1 4.17Å; W261-Y290 HydrophobicContact CH2-CE1 4.02Å; W261-Y290 HydrophobicContact CZ3-CD1 4.03Å; W261-Y290 HydrophobicContact CZ3-CE1 4.35Å; E274-Y290 CarbonylContact C-O 3.59Å; E274-Y290 WeakPolarHBondContact CA-O 3.3Å; G275-Y290 PolarHBondContact N-O 2.8Å; G275-Y290 PolarHBondContact O-N 2.91Å; Y290-L292 HydrophobicContact CE1-CB 3.57Å; Y290-L292 WeakPolarHBondContact OH-CB 3.14Å; Y290-L292 WeakPolarHBondContact OH-CD2 3.48Å; Y290-L302 HydrophobicContact CD2-CD1 3.6Å; Y290-L302 HydrophobicContact CE2-CD1 3.05Å; Y290-L302 HydrophobicContact CE2-CG 4.47Å; Y290-T303 CarbonylContact C-O 3.58Å
291R95.6Very high92.1Very high123 Ų12366.3 Ų66.346%0.46432%0.321SS..EExtended strand (participates in β ladder)trans-132.6116.9175.4-66.3-178.8178.4151.82.6108.4W273 E274 L302 T303W273-R291 WeakPolarHBondContact O-CA 3.25Å; E274-R291 HydrophobicContact CG-CG 4.38Å; R291-L302 CarbonylContact O-C 3.57Å; R291-L302 WeakPolarHBondContact O-CA 3.49Å; R291-T303 PolarHBondContact N-O 2.74Å; R291-T303 PolarHBondContact O-N 3.32Å
292L94.6Very high92.3Very high30 Ų3067 Ų6716%0.15732%0.323CS..EExtended strand (participates in β ladder)trans-111.1128.7169.7-172.470.6000108.1K272 W273 Y290 L300 Q301 L302K272-L292 CarbonylContact C-O 3.54Å; K272-L292 WeakPolarHBondContact CA-O 3.37Å; W273-L292 HydrophobicContact CB-CB 4.25Å; W273-L292 HydrophobicContact CD2-CD2 4.34Å; W273-L292 HydrophobicContact CE3-CB 4.09Å; W273-L292 HydrophobicContact CE3-CD2 3.8Å; W273-L292 HydrophobicContact CE3-CG 3.95Å; W273-L292 HydrophobicContact CZ3-CD2 4.17Å; W273-L292 HydrophobicContact CZ3-CG 4.39Å; W273-L292 PolarHBondContact N-O 3.44Å; W273-L292 PolarHBondContact O-N 2.81Å; Y290-L292 HydrophobicContact CE1-CB 3.57Å; Y290-L292 WeakPolarHBondContact OH-CB 3.14Å; Y290-L292 WeakPolarHBondContact OH-CD2 3.48Å; L292-L300 HydrophobicContact CD1-CD1 3.68Å; L292-L300 HydrophobicContact CD1-CD2 4.02Å; L292-L300 HydrophobicContact CD1-CG 3.75Å; L292-L300 HydrophobicContact CD2-CD1 4.26Å; L292-L300 HydrophobicContact CG-CD1 3.98Å; L292-Q301 CarbonylContact C-O 3.52Å; L292-Q301 WeakPolarHBondContact CA-O 2.92Å; L292-L302 HydrophobicContact CD1-CB 4.2Å; L292-L302 HydrophobicContact CD1-CD1 4.41Å
293S93.1Very high92.5Very high30 Ų3063.2 Ų63.221%0.2130%0.298CS..EExtended strand (participates in β ladder)trans-130.1143.2174650000110.9K271 P295 Q301K271-S293 CarbonylContact O-C 3.57Å; K271-S293 WeakPolarHBondContact O-CA 3.37Å; S293-P295 WeakPolarHBondContact O-CD 3.33Å; S293-Q301 PolarHBondContact N-O 2.81Å; S293-Q301 PolarHBondContact O-N 2.8Å
294R90.3Very high92.8Very high111 Ų11163.4 Ų63.442%0.41930%0.295SS..EExtended strand (participates in β ladder)trans-115.685.4172-174.4-179.3-63.2-171.40.7107.1K271 W273 N296 A299K271-R294 HydrophobicContact CB-CB 4.25Å; K271-R294 PolarHBondContact N-O 2.82Å; K271-R294 PolarHBondContact O-N 2.99Å; W273-R294 HydrophobicContact CZ3-CB 4.13Å; R294-N296 VanDerWaalsContact C-N 3.28Å; R294-N296 WeakPolarHBondContact CG-O 3.34Å; R294-N296 PolarHBondContact O-N 2.75Å; R294-A299 WeakPolarHBondContact CG-O 3.29Å
295P85.8Confident93Very high49 Ų4964.8 Ų64.832%0.31830%0.302SS..EExtended strand (participates in β ladder)trans-66.4-29.3-177.724.4-33.3000112.5H270 S293 A299H270-P295 PolarHBondContact CE1-O 2.76Å; H270-P295 PolarHBondContact ND1-O 2.79Å; S293-P295 WeakPolarHBondContact O-CD 3.33Å; P295-A299 HydrophobicContact CG-CB 4.19Å
296N84.3Confident92.9Very high64 Ų6463.9 Ų63.934%0.34230%0.302SS..EExtended strand (participates in β ladder)trans-146.9171.6171.160.440.9000110.2R294 H298 A299R294-N296 VanDerWaalsContact C-N 3.28Å; R294-N296 WeakPolarHBondContact CG-O 3.34Å; R294-N296 PolarHBondContact O-N 2.75Å; N296-H298 PolarHBondContact O-N 2.76Å; N296-H298 PolarHBondContact OD1-N 3.46Å; N296-H298 VanDerWaalsContact OD1-N 3.13Å; N296-A299 PolarHBondContact O-N 2.79Å; N296-A299 WeakPolarHBondContact OD1-CB 3.35Å; N296-A299 PolarHBondContact OD1-N 2.77Å
297R83.7Confident92.8Very high224 Ų22463 Ų6385%0.84530%0.298SS*.THydrogen-bonded Turntrans-57.6-21.5-177.4-170.9175.1-179175.50.9114
298H89.1Confident92.7Very high93 Ų9359.3 Ų59.343%0.43129%0.285SS..THydrogen-bonded Turntrans-111.15.5-170.4-65.2-66.4000113.2N296 R324 D325 R326N296-H298 PolarHBondContact O-N 2.76Å; N296-H298 PolarHBondContact OD1-N 3.46Å; N296-H298 VanDerWaalsContact OD1-N 3.13Å; H298-R324 CarbonylContact O-C 3.47Å; H298-R324 WeakPolarHBondContact O-CA 3.31Å; H298-D325 WeakPolarHBondContact CB-O 3.31Å; H298-D325 VanDerWaalsContact CG-O 3.31Å; H298-D325 PolarHBondContact ND1-O 3.02Å; H298-D325 PolarHBondContact O-N 3.06Å; H298-R326 HydrophobicContact CB-CG 4.03Å
299A92Very high92.3Very high7 Ų759.9 Ų59.96%0.05829%0.288CS..EExtended strand (participates in β ladder)trans-139.4142-176.800000111.9R294 P295 N296 F322 Y323R294-A299 WeakPolarHBondContact CG-O 3.29Å; P295-A299 HydrophobicContact CG-CB 4.19Å; N296-A299 PolarHBondContact O-N 2.79Å; N296-A299 WeakPolarHBondContact OD1-CB 3.35Å; N296-A299 PolarHBondContact OD1-N 2.77Å; A299-F322 HydrophobicContact CB-CE2 4.2Å; A299-F322 HydrophobicContact CB-CZ 4.28Å; A299-Y323 CarbonylContact C-O 3.54Å; A299-Y323 WeakPolarHBondContact CA-O 3.4Å
300L93.7Very high91.9Very high58 Ų5864.6 Ų64.630%0.30431%0.307SS..EExtended strand (participates in β ladder)trans-128.7131.8176.5-168.374.2000108.2L292 F322 Y323L292-L300 HydrophobicContact CD1-CD1 3.68Å; L292-L300 HydrophobicContact CD1-CD2 4.02Å; L292-L300 HydrophobicContact CD1-CG 3.75Å; L292-L300 HydrophobicContact CD2-CD1 4.26Å; L292-L300 HydrophobicContact CG-CD1 3.98Å; L300-F322 CarbonylContact O-C 3.53Å; L300-F322 WeakPolarHBondContact O-CA 3.34Å; L300-Y323 PolarHBondContact N-O 3.34Å; L300-Y323 PolarHBondContact O-N 2.94Å
301Q95Very high91.4Very high86 Ų8672.2 Ų72.240%0.40234%0.335SS..EExtended strand (participates in β ladder)trans-123.8131.7174.2179.6177.7-0.600108.9L292 S293 G321 F322L292-Q301 CarbonylContact C-O 3.52Å; L292-Q301 WeakPolarHBondContact CA-O 2.92Å; S293-Q301 PolarHBondContact N-O 2.81Å; S293-Q301 PolarHBondContact O-N 2.8Å; Q301-G321 CarbonylContact C-O 3.49Å; Q301-G321 WeakPolarHBondContact CA-O 3.4Å; Q301-F322 HydrophobicContact CB-CD2 4.36Å
302L95.6Very high90.6Very high45 Ų4571.2 Ų71.224%0.23634%0.338CS..EExtended strand (participates in β ladder)trans-122130.5-179.2168.262.5000107.8Y290 R291 L292 D320 G321Y290-L302 HydrophobicContact CD2-CD1 3.6Å; Y290-L302 HydrophobicContact CE2-CD1 3.05Å; Y290-L302 HydrophobicContact CE2-CG 4.47Å; R291-L302 CarbonylContact O-C 3.57Å; R291-L302 WeakPolarHBondContact O-CA 3.49Å; L292-L302 HydrophobicContact CD1-CB 4.2Å; L292-L302 HydrophobicContact CD1-CD1 4.41Å; L302-D320 CarbonylContact O-C 3.45Å; L302-D320 WeakPolarHBondContact O-CA 3.32Å; L302-G321 PolarHBondContact N-O 3.05Å; L302-G321 PolarHBondContact O-N 2.97Å
303T95.6Very high90.1Very high23 Ų2373.2 Ų73.214%0.14136%0.355CS..EExtended strand (participates in β ladder)trans-130.3127.4167.7-62.70000107.4Y290 R291 E305 V318 L319 D320Y290-T303 CarbonylContact C-O 3.58Å; R291-T303 PolarHBondContact N-O 2.74Å; R291-T303 PolarHBondContact O-N 3.32Å; T303-E305 HydrophobicContact CG2-CG 4.43Å; T303-V318 HydrophobicContact CG2-CG1 4.34Å; T303-L319 CarbonylContact C-O 3.56Å; T303-L319 VanDerWaalsContact CA-O 3.32Å; T303-L319 WeakPolarHBondContact CA-O 3.45Å; T303-D320 WeakPolarHBondContact CB-OD1 3.33Å; T303-D320 VanDerWaalsContact CG2-OD1 3.25Å; T303-D320 WeakPolarHBondContact CG2-OD1 3.3Å; T303-D320 PolarHBondContact OG1-OD1 3.18Å
304S95.6Very high89.7Confident35 Ų3573.9 Ų73.925%0.24536%0.355CS..EExtended strand (participates in β ladder)trans-128126.9176.4-178.90000109.3A289 V318 L319A289-S304 CarbonylContact O-C 3.56Å; A289-S304 VanDerWaalsContact O-CA 3.28Å; A289-S304 WeakPolarHBondContact O-CA 3.14Å; S304-V318 CarbonylContact O-C 3.51Å; S304-V318 WeakPolarHBondContact O-CA 3.35Å; S304-L319 PolarHBondContact N-O 3.13Å; S304-L319 PolarHBondContact O-N 2.81Å
305E94.9Very high89.3Confident66 Ų6676.4 Ų76.431%0.30837%0.365SS..EExtended strand (participates in β ladder)trans-115.2133179.2-60.9173.6-16400108.6A288 A289 T303 L317 V318A288-E305 CarbonylContact C-O 3.53Å; A288-E305 VanDerWaalsContact CA-O 3.25Å; A288-E305 WeakPolarHBondContact CA-O 3.25Å; A289-E305 HydrophobicContact CB-CB 4.33Å; A289-E305 PolarHBondContact N-O 2.99Å; A289-E305 PolarHBondContact O-N 3.28Å; T303-E305 HydrophobicContact CG2-CG 4.43Å; E305-L317 CarbonylContact C-O 3.6Å; E305-L317 WeakPolarHBondContact CA-O 3.33Å; E305-V318 HydrophobicContact CG-CG1 4.45Å; E305-V318 HydrophobicContact CG-CG2 4.3Å
306L93.9Very high89.2Confident56 Ų5678.4 Ų78.429%0.29337%0.373SS..EExtended strand (participates in β ladder)trans-131.3128.1179.1178.170000110.2I286 Y287 A288 L317I286-L306 HydrophobicContact CG2-CD1 4Å; Y287-L306 CarbonylContact O-C 3.53Å; Y287-L306 WeakPolarHBondContact O-CA 3.39Å; A288-L306 HydrophobicContact CB-CD1 4.02Å; L306-L317 HydrophobicContact CB-CB 4.31Å; L306-L317 HydrophobicContact CD2-CD2 4.24Å; L306-L317 PolarHBondContact N-O 2.96Å; L306-L317 PolarHBondContact O-N 2.86Å
307T92.5Very high89.5Confident27 Ų2777.7 Ų77.717%0.16637%0.369CS..EExtended strand (participates in β ladder)trans-125127.6170.1-66.10000109.1I286 Y287 I314 N316I286-T307 CarbonylContact C-O 3.58Å; I286-T307 WeakPolarHBondContact CA-O 3.32Å; Y287-T307 PolarHBondContact N-O 2.81Å; Y287-T307 PolarHBondContact O-N 3.25Å; T307-I314 CarbonylContact C-O 3.56Å; T307-I314 WeakPolarHBondContact CA-O 3.37Å; T307-N316 PolarHBondContact OG1-N 2.81Å; T307-N316 PolarHBondContact OG1-OD1 2.77Å
308A93Very high90Very high6 Ų667.9 Ų67.95%0.0533%0.334CS..EExtended strand (participates in β ladder)trans-126137173.800000108.8Y285 L312 S313 I314Y285-A308 CarbonylContact O-C 3.52Å; Y285-A308 VanDerWaalsContact O-CA 3.28Å; Y285-A308 WeakPolarHBondContact O-CA 3.44Å; A308-L312 CarbonylContact C-O 3.53Å; A308-L312 VanDerWaalsContact O-O 3.11Å; A308-S313 CarbonylContact O-C 3.55Å; A308-S313 WeakPolarHBondContact O-CA 3.3Å; A308-I314 HydrophobicContact CB-CB 4.16Å; A308-I314 PolarHBondContact N-O 3.12Å; A308-I314 CarbonylContact O-C 3.55Å; A308-I314 PolarHBondContact O-N 2.79Å
309S88.8Confident90.3Very high41 Ų4166 Ų6629%0.28733%0.326SS..EExtended strand (participates in β ladder)trans-144.7174.8176.573.80000112.5Q284 Y285 L312Q284-S309 PolarHBondContact NE2-O 2.78Å; Y285-S309 WeakPolarHBondContact CB-OG 3.29Å; Y285-S309 PolarHBondContact N-O 2.81Å; Y285-S309 VanDerWaalsContact N-O 3.07Å; Y285-S309 PolarHBondContact O-N 2.81Å; S309-L312 CarbonylContact C-O 3.57Å; S309-L312 WeakPolarHBondContact CA-O 3.44Å; S309-L312 PolarHBondContact N-O 2.91Å
310K87.4Confident90.4Very high107 Ų10768 Ų6847%0.46534%0.336SS..EExtended strand (participates in β ladder)trans82.5-103.6-168.6-53.7169.4175172.60111.5D280 T281 G283D280-K310 IonicContact OD1-NZ 2.77Å; D280-K310 PolarHBondContact OD1-NZ 2.61Å; T281-K310 PolarHBondContact O-NZ 2.93Å; G283-K310 WeakPolarHBondContact O-CB 3.49Å
311W84.9Confident90.4Very high236 Ų23665.7 Ų65.789%0.89433%0.327SS*.SBendtrans-66.3-45-178.6-90.450.5000113.7G283G283-W311 PolarHBondContact O-N 3.4Å
312L79.8Confident90.5Very high101 Ų10164.3 Ų64.353%0.52932%0.32SS..SBendtrans-114.4123.2172.8-176.670.8000109.1A308 S309 I314A308-L312 CarbonylContact C-O 3.53Å; A308-L312 VanDerWaalsContact O-O 3.11Å; S309-L312 CarbonylContact C-O 3.57Å; S309-L312 WeakPolarHBondContact CA-O 3.44Å; S309-L312 PolarHBondContact N-O 2.91Å; L312-I314 HydrophobicContact CD2-CD1 3.66Å; L312-I314 HydrophobicContact CD2-CG1 4.22Å; L312-I314 HydrophobicContact CG-CD1 4.15Å; L312-I314 HydrophobicContact CG-CG1 4.15Å
313S83.4Confident90.4Very high72 Ų7266.9 Ų66.950%0.50333%0.327SS..  trans-102.797.5179.11770000111.2A308A308-S313 CarbonylContact O-C 3.55Å; A308-S313 WeakPolarHBondContact O-CA 3.3Å
314I84.2Confident90.3Very high44 Ų4470.7 Ų70.723%0.22634%0.339CS..EExtended strand (participates in β ladder)trans-114.6113.9168.2-61.3170.1000107T307 A308 L312 L317T307-I314 CarbonylContact C-O 3.56Å; T307-I314 WeakPolarHBondContact CA-O 3.37Å; A308-I314 HydrophobicContact CB-CB 4.16Å; A308-I314 PolarHBondContact N-O 3.12Å; A308-I314 CarbonylContact O-C 3.55Å; A308-I314 PolarHBondContact O-N 2.79Å; L312-I314 HydrophobicContact CD2-CD1 3.66Å; L312-I314 HydrophobicContact CD2-CG1 4.22Å; L312-I314 HydrophobicContact CG-CD1 4.15Å; L312-I314 HydrophobicContact CG-CG1 4.15Å; I314-L317 HydrophobicContact CG2-CB 3.68Å
315R81.4Confident90Very high165 Ų16571.2 Ų71.262%0.62334%0.339SS*.EExtended strand (participates in β ladder)trans-102119.1178.3-67.5-172.8-177.7-165.80.6110.1L317 A340R315-L317 PolarHBondContact O-N 2.69Å; R315-A340 HydrophobicContact CB-CB 3.75Å
316N84.8Confident89.7Confident90 Ų9074.5 Ų74.548%0.48135%0.348SS..EExtended strand (participates in β ladder)trans53.851170.2-56.4-21.2000113.6T307 V318 P339T307-N316 PolarHBondContact OG1-N 2.81Å; T307-N316 PolarHBondContact OG1-OD1 2.77Å; N316-V318 PolarHBondContact O-N 2.75Å; N316-P339 HydrophobicContact CB-CG 4.11Å; N316-P339 WeakPolarHBondContact O-CD 3.33Å
317L91.2Very high89.3Confident49 Ų4974.4 Ų74.426%0.25736%0.36SS..EExtended strand (participates in β ladder)trans-69.1117169.4176.669.8000108.6E305 L306 I314 R315 V336 T338E305-L317 CarbonylContact C-O 3.6Å; E305-L317 WeakPolarHBondContact CA-O 3.33Å; L306-L317 HydrophobicContact CB-CB 4.31Å; L306-L317 HydrophobicContact CD2-CD2 4.24Å; L306-L317 PolarHBondContact N-O 2.96Å; L306-L317 PolarHBondContact O-N 2.86Å; I314-L317 HydrophobicContact CG2-CB 3.68Å; R315-L317 PolarHBondContact O-N 2.69Å; L317-V336 HydrophobicContact CD1-CG1 3.66Å; L317-T338 HydrophobicContact CB-CG2 4.33Å; L317-T338 HydrophobicContact CD1-CG2 3.52Å
318V93.2Very high88.9Confident18 Ų1882.6 Ų82.611%0.10939%0.388CS..EExtended strand (participates in β ladder)trans-110.1132.3179.8-173.50000109.3T303 S304 E305 N316 V336 H337T303-V318 HydrophobicContact CG2-CG1 4.34Å; S304-V318 CarbonylContact O-C 3.51Å; S304-V318 WeakPolarHBondContact O-CA 3.35Å; E305-V318 HydrophobicContact CG-CG1 4.45Å; E305-V318 HydrophobicContact CG-CG2 4.3Å; N316-V318 PolarHBondContact O-N 2.75Å; V318-V336 CarbonylContact O-C 3.55Å; V318-V336 VanDerWaalsContact O-CA 3.31Å; V318-V336 WeakPolarHBondContact O-CA 3.35Å; V318-H337 WeakPolarHBondContact CB-NE2 3.39Å; V318-H337 PolarHBondContact N-O 2.89Å; V318-H337 PolarHBondContact O-N 3.22Å
319L94.6Very high88.7Confident53 Ų5386.3 Ų86.328%0.27741%0.405SS..EExtended strand (participates in β ladder)trans-117.9113.1172.3170.974.1000108.3T303 S304 L334 E335 V336T303-L319 CarbonylContact C-O 3.56Å; T303-L319 VanDerWaalsContact CA-O 3.32Å; T303-L319 WeakPolarHBondContact CA-O 3.45Å; S304-L319 PolarHBondContact N-O 3.13Å; S304-L319 PolarHBondContact O-N 2.81Å; L319-L334 HydrophobicContact CD1-CD1 3.63Å; L319-L334 HydrophobicContact CD1-CG 4.09Å; L319-L334 HydrophobicContact CG-CD1 4.42Å; L319-E335 CarbonylContact C-O 3.59Å; L319-E335 WeakPolarHBondContact CA-O 3.29Å; L319-V336 HydrophobicContact CD1-CG2 3.52Å
320D95Very high88.9Confident49 Ų4988.8 Ų88.826%0.26241%0.411SS..EExtended strand (participates in β ladder)trans-108.2121175.1-75.2-44.5000110.6L302 T303 L334 E335 H337L302-D320 CarbonylContact O-C 3.45Å; L302-D320 WeakPolarHBondContact O-CA 3.32Å; T303-D320 WeakPolarHBondContact CB-OD1 3.33Å; T303-D320 VanDerWaalsContact CG2-OD1 3.25Å; T303-D320 WeakPolarHBondContact CG2-OD1 3.3Å; T303-D320 PolarHBondContact OG1-OD1 3.18Å; D320-L334 CarbonylContact O-C 3.53Å; D320-L334 WeakPolarHBondContact O-CA 3.41Å; D320-E335 HydrophobicContact CB-CB 4.49Å; D320-E335 PolarHBondContact N-O 2.74Å; D320-E335 PolarHBondContact O-N 2.79Å; D320-H337 IonicContact OD2-CE1 3.88Å
321G94.7Very high89.2Confident11 Ų1185 Ų8511%0.11340%0.399CS..EExtended strand (participates in β ladder)trans-116.3137175.400000110.9Q301 L302 R333Q301-G321 CarbonylContact C-O 3.49Å; Q301-G321 WeakPolarHBondContact CA-O 3.4Å; L302-G321 PolarHBondContact N-O 3.05Å; L302-G321 PolarHBondContact O-N 2.97Å; G321-R333 CarbonylContact C-O 3.56Å; G321-R333 WeakPolarHBondContact CA-O 3.38Å
322F95.5Very high89.7Confident57 Ų5776.2 Ų76.225%0.2538%0.376CS..EExtended strand (participates in β ladder)trans-135.8131.5172178.1-97.5000109.5A299 L300 Q301 R324 A332 R333A299-F322 HydrophobicContact CB-CE2 4.2Å; A299-F322 HydrophobicContact CB-CZ 4.28Å; L300-F322 CarbonylContact O-C 3.53Å; L300-F322 WeakPolarHBondContact O-CA 3.34Å; Q301-F322 HydrophobicContact CB-CD2 4.36Å; F322-R324 HydrophobicContact CE1-CB 3.78Å; F322-R324 HydrophobicContact CZ-CB 3.97Å; F322-A332 CarbonylContact O-C 3.53Å; F322-A332 VanDerWaalsContact O-CA 3.28Å; F322-A332 WeakPolarHBondContact O-CA 3.43Å; F322-R333 HydrophobicContact CB-CB 4.3Å; F322-R333 PolarHBondContact N-O 2.75Å; F322-R333 PolarHBondContact O-N 3.49Å
323Y93.5Very high90.4Very high98 Ų9877.9 Ų77.938%0.38438%0.376SS..EExtended strand (participates in β ladder)trans-131.8137.2176.4177.6-103.3000109.7A299 L300 D325 A331 A332A299-Y323 CarbonylContact C-O 3.54Å; A299-Y323 WeakPolarHBondContact CA-O 3.4Å; L300-Y323 PolarHBondContact N-O 3.34Å; L300-Y323 PolarHBondContact O-N 2.94Å; Y323-D325 HydrophobicContact CE1-CB 3.74Å; Y323-D325 PolarHBondContact OH-OD2 3.38Å; Y323-D325 VanDerWaalsContact OH-OD2 3.11Å; Y323-A331 CarbonylContact C-O 3.55Å; Y323-A331 WeakPolarHBondContact CA-O 3.38Å; Y323-A332 HydrophobicContact CD2-CB 4.3Å
324R93.8Very high91Very high103 Ų10378.1 Ų78.139%0.38937%0.371SS..EExtended strand (participates in β ladder)trans-135.9131.3177-176-176.3-67.8168.71.3110H298 F322 R326 K330 A331H298-R324 CarbonylContact O-C 3.47Å; H298-R324 WeakPolarHBondContact O-CA 3.31Å; F322-R324 HydrophobicContact CE1-CB 3.78Å; F322-R324 HydrophobicContact CZ-CB 3.97Å; R324-R326 HydrophobicContact CG-CG 4.46Å; R324-K330 CarbonylContact O-C 3.46Å; R324-K330 VanDerWaalsContact O-CA 3.28Å; R324-K330 WeakPolarHBondContact O-CA 3.38Å; R324-A331 HydrophobicContact CB-CB 4.4Å; R324-A331 PolarHBondContact N-O 2.86Å; R324-A331 PolarHBondContact O-N 3.34Å
325D90.7Very high91.5Very high46 Ų4677.4 Ų77.425%0.24637%0.367CS..EExtended strand (participates in β ladder)trans-132.9103.1177.5-168.6-19.2000111.3H298 Y323 G327 K330H298-D325 WeakPolarHBondContact CB-O 3.31Å; H298-D325 VanDerWaalsContact CG-O 3.31Å; H298-D325 PolarHBondContact ND1-O 3.02Å; H298-D325 PolarHBondContact O-N 3.06Å; Y323-D325 HydrophobicContact CE1-CB 3.74Å; Y323-D325 PolarHBondContact OH-OD2 3.38Å; Y323-D325 VanDerWaalsContact OH-OD2 3.11Å; D325-G327 PolarHBondContact OD1-N 2.99Å; D325-K330 IonicContact OD2-NZ 2.61Å
326R88.2Confident92Very high136 Ų13671.6 Ų71.651%0.51335%0.35SS..EExtended strand (participates in β ladder)trans-111.846.9173.1-68.9-176.8175.7-177.4-3.2110.4H298 R324 R328 E329H298-R326 HydrophobicContact CB-CG 4.03Å; R324-R326 HydrophobicContact CG-CG 4.46Å; R326-R328 PolarHBondContact O-N 2.94Å; R326-E329 HydrophobicContact CB-CB 4.37Å; R326-E329 PolarHBondContact N-O 2.9Å; R326-E329 PolarHBondContact O-N 3.29Å
327G84.9Confident92.3Very high53 Ų5369.7 Ų69.755%0.54634%0.338SS..THydrogen-bonded Turntrans74.6-90.9174.900000112.4D325 E329D325-G327 PolarHBondContact OD1-N 2.99Å; G327-E329 VanDerWaalsContact C-N 3.33Å
328R83.4Confident92.1Very high199 Ų19967.7 Ų67.775%0.75133%0.328SS*.THydrogen-bonded Turntrans-81.6-14177.6-64.6-170.3-175.7-1672.3113.4R326 K354R326-R328 PolarHBondContact O-N 2.94Å; R328-K354 HydrophobicContact CB-CG 4.17Å
329E89.3Confident91Very high85 Ų8571.1 Ų71.140%0.39735%0.35SS..EExtended strand (participates in β ladder)trans-114118.9178.6-71.5168.4-158.400109.7R326 G327 V352R326-E329 HydrophobicContact CB-CB 4.37Å; R326-E329 PolarHBondContact N-O 2.9Å; R326-E329 PolarHBondContact O-N 3.29Å; G327-E329 VanDerWaalsContact C-N 3.33Å; E329-V352 CarbonylContact C-O 3.56Å; E329-V352 VanDerWaalsContact CA-O 3.26Å; E329-V352 WeakPolarHBondContact CA-O 3.37Å
330K92.9Very high89.6Confident93 Ų9370 Ų7040%0.40435%0.349SS..EExtended strand (participates in β ladder)trans-128.2136.5179.3-60.4-173.1-180-1700109.6R324 D325 A351 V352R324-K330 CarbonylContact O-C 3.46Å; R324-K330 VanDerWaalsContact O-CA 3.28Å; R324-K330 WeakPolarHBondContact O-CA 3.38Å; D325-K330 IonicContact OD2-NZ 2.61Å; K330-A351 CarbonylContact O-C 3.51Å; K330-A351 VanDerWaalsContact O-CA 3.3Å; K330-A351 WeakPolarHBondContact O-CA 3.26Å; K330-V352 HydrophobicContact CB-CB 4.46Å; K330-V352 PolarHBondContact N-O 2.84Å; K330-V352 PolarHBondContact O-N 2.88Å
331A94.4Very high87.8Confident28 Ų2872 Ų7223%0.23137%0.372CS..EExtended strand (participates in β ladder)trans-137.5137.7175.600000110.5Y323 R324 G350 A351Y323-A331 CarbonylContact C-O 3.55Å; Y323-A331 WeakPolarHBondContact CA-O 3.38Å; R324-A331 HydrophobicContact CB-CB 4.4Å; R324-A331 PolarHBondContact N-O 2.86Å; R324-A331 PolarHBondContact O-N 3.34Å; A331-G350 CarbonylContact C-O 3.59Å; A331-G350 VanDerWaalsContact CA-O 3.3Å; A331-G350 WeakPolarHBondContact CA-O 3.21Å; A331-A351 HydrophobicContact CB-CB 4.31Å
332A94.7Very high86.3Confident50 Ų5074.8 Ų74.841%0.41339%0.387SS..EExtended strand (participates in β ladder)trans-132.1139.7175.800000109.5F322 Y323 W349 G350F322-A332 CarbonylContact O-C 3.53Å; F322-A332 VanDerWaalsContact O-CA 3.28Å; F322-A332 WeakPolarHBondContact O-CA 3.43Å; Y323-A332 HydrophobicContact CD2-CB 4.3Å; A332-W349 CarbonylContact O-C 3.51Å; A332-W349 VanDerWaalsContact O-CA 3.3Å; A332-W349 WeakPolarHBondContact O-CA 3.26Å; A332-G350 PolarHBondContact N-O 2.84Å; A332-G350 PolarHBondContact O-N 3.13Å
333R95.5Very high85.2Confident136 Ų13676.8 Ų76.851%0.51339%0.394SS..EExtended strand (participates in β ladder)trans-136.5135.8171.9175.8-179.9175.1175.8-0.9108.1G321 F322 E335 V348 W349G321-R333 CarbonylContact C-O 3.56Å; G321-R333 WeakPolarHBondContact CA-O 3.38Å; F322-R333 HydrophobicContact CB-CB 4.3Å; F322-R333 PolarHBondContact N-O 2.75Å; F322-R333 PolarHBondContact O-N 3.49Å; R333-E335 IonicContact CZ-OE2 3.85Å; R333-E335 IonicContact NE-OE2 2.65Å; R333-E335 IonicContact NH2-OE2 2.87Å; R333-E335 PolarHBondContact NH2-OE2 2.82Å; R333-V348 CarbonylContact C-O 3.54Å; R333-V348 WeakPolarHBondContact CA-O 3.21Å; R333-W349 HydrophobicContact CB-CB 4.23Å; R333-W349 HydrophobicContact CG-CB 4.31Å
334L95.5Very high84.7Confident77 Ų7776 Ų7640%0.40340%0.395SS..EExtended strand (participates in β ladder)trans-134.5126173.6-170.269.2000107.5L319 D320 G347 V348L319-L334 HydrophobicContact CD1-CD1 3.63Å; L319-L334 HydrophobicContact CD1-CG 4.09Å; L319-L334 HydrophobicContact CG-CD1 4.42Å; D320-L334 CarbonylContact O-C 3.53Å; D320-L334 WeakPolarHBondContact O-CA 3.41Å; L334-G347 CarbonylContact O-C 3.51Å; L334-G347 VanDerWaalsContact O-CA 3.3Å; L334-G347 WeakPolarHBondContact O-CA 3.3Å; L334-V348 HydrophobicContact CB-CG2 3.76Å; L334-V348 PolarHBondContact N-O 2.77Å; L334-V348 PolarHBondContact O-N 2.78Å
335E93.8Very high84.4Confident29 Ų2974 Ų7414%0.13639%0.39CS..EExtended strand (participates in β ladder)trans-132.5132.9179.9-175.6168.8-177.200109.5L319 D320 R333 H337 Q345 A346L319-E335 CarbonylContact C-O 3.59Å; L319-E335 WeakPolarHBondContact CA-O 3.29Å; D320-E335 HydrophobicContact CB-CB 4.49Å; D320-E335 PolarHBondContact N-O 2.74Å; D320-E335 PolarHBondContact O-N 2.79Å; R333-E335 IonicContact CZ-OE2 3.85Å; R333-E335 IonicContact NE-OE2 2.65Å; R333-E335 IonicContact NH2-OE2 2.87Å; R333-E335 PolarHBondContact NH2-OE2 2.82Å; E335-H337 IonicContact OE1-ND1 2.65Å; E335-Q345 PolarHBondContact OE1-NE2 2.78Å; E335-Q345 VanDerWaalsContact OE1-NE2 3.12Å; E335-A346 CarbonylContact C-O 3.58Å; E335-A346 WeakPolarHBondContact CA-O 3.37Å
336V92.9Very high84.5Confident44 Ų4473.3 Ų73.327%0.26739%0.391SS..EExtended strand (participates in β ladder)trans-121.6122.4175.7-174.70000106.7L317 V318 L319 Q345 A346L317-V336 HydrophobicContact CD1-CG1 3.66Å; V318-V336 CarbonylContact O-C 3.55Å; V318-V336 VanDerWaalsContact O-CA 3.31Å; V318-V336 WeakPolarHBondContact O-CA 3.35Å; L319-V336 HydrophobicContact CD1-CG2 3.52Å; V336-Q345 CarbonylContact O-C 3.56Å; V336-Q345 WeakPolarHBondContact O-CA 3.48Å; V336-A346 PolarHBondContact N-O 3.47Å; V336-A346 PolarHBondContact O-N 2.84Å
337H89.7Confident84.7Confident49 Ų4967.3 Ų67.323%0.22737%0.372CS..EExtended strand (participates in β ladder)trans-141.1149.7175.762.4-113.7000113.1V318 D320 E335 I344 Q345V318-H337 WeakPolarHBondContact CB-NE2 3.39Å; V318-H337 PolarHBondContact N-O 2.89Å; V318-H337 PolarHBondContact O-N 3.22Å; D320-H337 IonicContact OD2-CE1 3.88Å; E335-H337 IonicContact OE1-ND1 2.65Å; H337-I344 CarbonylContact C-O 3.58Å; H337-I344 VanDerWaalsContact CA-O 3.27Å; H337-I344 WeakPolarHBondContact CA-O 3.41Å; H337-Q345 HydrophobicContact CB-CB 4.46Å; H337-Q345 HydrophobicContact CB-CG 4.24Å
338T87.4Confident85.1Confident8 Ų868.8 Ų68.85%0.04937%0.37CS..  trans-115117.8170.552.20000109.5L317 A340 T342 I344L317-T338 HydrophobicContact CB-CG2 4.33Å; L317-T338 HydrophobicContact CD1-CG2 3.52Å; T338-A340 PolarHBondContact O-N 2.76Å; T338-T342 PolarHBondContact OG1-O 3.35Å; T338-I344 PolarHBondContact N-O 2.76Å; T338-I344 PolarHBondContact OG1-N 2.84Å; T338-I344 PolarHBondContact OG1-O 3.23Å
339P71.1Confident85.6Confident89 Ų8964.2 Ų64.258%0.57835%0.353SS*.  trans-71.9-9.3177.2-15.628.1000114.4N316N316-P339 HydrophobicContact CB-CG 4.11Å; N316-P339 WeakPolarHBondContact O-CD 3.33Å
340A65.3Low85.8Confident31 Ų3161.4 Ų61.426%0.25635%0.346SS..SBendtrans-104.4-176.9-170.700000113.4R315 T338 T342 Y343R315-A340 HydrophobicContact CB-CB 3.75Å; T338-A340 PolarHBondContact O-N 2.76Å; A340-T342 CarbonylContact O-C 3.56Å; A340-T342 PolarHBondContact O-N 2.66Å; A340-Y343 PolarHBondContact O-N 3.42Å; A340-Y343 VanDerWaalsContact O-N 3.16Å
341A57.4Low85.8Confident91 Ų9157.7 Ų57.775%0.75233%0.333SS*.SBendtrans-51.2-21.7-172.300000116.5Y343A341-Y343 VanDerWaalsContact C-N 3.26Å; A341-Y343 PolarHBondContact O-N 3.05Å
342T62.1Low85.7Confident68 Ų6859.7 Ų59.742%0.41734%0.342SS..SBendtrans-91.352.4172.156.20000110.6T338 A340 I344T338-T342 PolarHBondContact OG1-O 3.35Å; A340-T342 CarbonylContact O-C 3.56Å; A340-T342 PolarHBondContact O-N 2.66Å; T342-I344 PolarHBondContact O-N 2.78Å
343Y73.1Confident85.4Confident100 Ų10061.2 Ų61.239%0.39234%0.341SS..  trans-54.8111.5-173.3-178.2-96.3000110.5A340 A341 Q345 A364 S365 L366A340-Y343 PolarHBondContact O-N 3.42Å; A340-Y343 VanDerWaalsContact O-N 3.16Å; A341-Y343 VanDerWaalsContact C-N 3.26Å; A341-Y343 PolarHBondContact O-N 3.05Å; Y343-Q345 PolarHBondContact OH-OE1 2.78Å; Y343-A364 HydrophobicContact CE1-CB 4.08Å; Y343-S365 CarbonylContact O-C 3.56Å; Y343-S365 VanDerWaalsContact O-CA 3.23Å; Y343-S365 WeakPolarHBondContact O-CA 3.44Å; Y343-L366 PolarHBondContact O-N 3.2Å
344I82.4Confident85Confident81 Ų8161.9 Ų61.942%0.41535%0.347SS..EExtended strand (participates in β ladder)trans-135.3126.5172-63.7174000105.5H337 T338 T342 A364H337-I344 CarbonylContact C-O 3.58Å; H337-I344 VanDerWaalsContact CA-O 3.27Å; H337-I344 WeakPolarHBondContact CA-O 3.41Å; T338-I344 PolarHBondContact N-O 2.76Å; T338-I344 PolarHBondContact OG1-N 2.84Å; T338-I344 PolarHBondContact OG1-O 3.23Å; T342-I344 PolarHBondContact O-N 2.78Å; I344-A364 CarbonylContact C-O 3.59Å; I344-A364 WeakPolarHBondContact CA-O 3.38Å
345Q88.6Confident84.5Confident60 Ų6064.1 Ų64.128%0.2836%0.356SS..EExtended strand (participates in β ladder)trans-129.8117.4172.6-175.8-179.621.100107.8E335 V336 H337 Y343 L363 A364E335-Q345 PolarHBondContact OE1-NE2 2.78Å; E335-Q345 VanDerWaalsContact OE1-NE2 3.12Å; V336-Q345 CarbonylContact O-C 3.56Å; V336-Q345 WeakPolarHBondContact O-CA 3.48Å; H337-Q345 HydrophobicContact CB-CB 4.46Å; H337-Q345 HydrophobicContact CB-CG 4.24Å; Y343-Q345 PolarHBondContact OH-OE1 2.78Å; Q345-L363 CarbonylContact O-C 3.58Å; Q345-L363 WeakPolarHBondContact O-CA 3.46Å; Q345-A364 HydrophobicContact CB-CB 4.45Å; Q345-A364 PolarHBondContact N-O 2.73Å; Q345-A364 PolarHBondContact O-N 3.49Å
346A91.5Very high84.3Confident33 Ų3363.3 Ų63.327%0.27335%0.354SS..EExtended strand (participates in β ladder)trans-127.9124.4176.400000108.7E335 V336 S362 L363E335-A346 CarbonylContact C-O 3.58Å; E335-A346 WeakPolarHBondContact CA-O 3.37Å; V336-A346 PolarHBondContact N-O 3.47Å; V336-A346 PolarHBondContact O-N 2.84Å; A346-S362 CarbonylContact C-O 3.57Å; A346-S362 WeakPolarHBondContact CA-O 3.41Å; A346-L363 HydrophobicContact CB-CD1 3.87Å
347G92.6Very high84.3Confident10 Ų1064.3 Ų64.310%0.10336%0.36CS..EExtended strand (participates in β ladder)trans-137.6132.7-176.900000111.2L334 G361 S362L334-G347 CarbonylContact O-C 3.51Å; L334-G347 VanDerWaalsContact O-CA 3.3Å; L334-G347 WeakPolarHBondContact O-CA 3.3Å; G347-G361 CarbonylContact O-C 3.55Å; G347-G361 WeakPolarHBondContact O-CA 3.34Å; G347-S362 PolarHBondContact N-O 3.43Å; G347-S362 PolarHBondContact O-N 3.42Å; G347-S362 PolarHBondContact O-OG 2.76Å
348V93.1Very high84.6Confident83 Ų8365 Ų6550%0.50336%0.362SS..EExtended strand (participates in β ladder)trans-122.2136.4169.4-65.10000109.5R333 L334 H360R333-V348 CarbonylContact C-O 3.54Å; R333-V348 WeakPolarHBondContact CA-O 3.21Å; L334-V348 HydrophobicContact CB-CG2 3.76Å; L334-V348 PolarHBondContact N-O 2.77Å; L334-V348 PolarHBondContact O-N 2.78Å; V348-H360 CarbonylContact C-O 3.6Å; V348-H360 VanDerWaalsContact CA-O 3.26Å; V348-H360 WeakPolarHBondContact CA-O 3.28Å
349W94.8Very high84.9Confident104 Ų10466.6 Ų66.639%0.39438%0.377SS..EExtended strand (participates in β ladder)trans-132.9144.5167.777.1-103.2000110.1A332 R333 A351 K358 A359 H360A332-W349 CarbonylContact O-C 3.51Å; A332-W349 VanDerWaalsContact O-CA 3.3Å; A332-W349 WeakPolarHBondContact O-CA 3.26Å; R333-W349 HydrophobicContact CB-CB 4.23Å; R333-W349 HydrophobicContact CG-CB 4.31Å; W349-A351 HydrophobicContact CE3-CB 4.45Å; W349-A351 HydrophobicContact CZ3-CB 4.03Å; W349-K358 HydrophobicContact CH2-CB 3.54Å; W349-K358 HydrophobicContact CH2-CD 4.21Å; W349-K358 HydrophobicContact CH2-CG 4.45Å; W349-K358 HydrophobicContact CZ3-CB 3.65Å; W349-A359 CarbonylContact O-C 3.55Å; W349-A359 VanDerWaalsContact O-CA 3.32Å; W349-A359 WeakPolarHBondContact O-CA 3.22Å; W349-H360 AromaticContact CD1-CD2 3.31Å; W349-H360 AromaticContact CD1-CG 3.47Å; W349-H360 VanDerWaalsContact CD1-CG 3.47Å; W349-H360 HydrophobicContact CD2-CB 3.91Å; W349-H360 HydrophobicContact CG-CB 3.81Å; W349-H360 HydrophobicContact CZ2-CB 3.98Å; W349-H360 PolarHBondContact N-O 2.9Å; W349-H360 AromaticContact NE1-CD2 3.42Å; W349-H360 PolarHBondContact NE1-CD2 3.4Å; W349-H360 AromaticContact NE1-CG 3.17Å; W349-H360 PolarHBondContact O-N 2.87Å
350G92.9Very high86Confident26 Ų2664.3 Ų64.327%0.26836%0.359SS..EExtended strand (participates in β ladder)trans-143.9138178.900000110.3A331 A332 K358A331-G350 CarbonylContact C-O 3.59Å; A331-G350 VanDerWaalsContact CA-O 3.3Å; A331-G350 WeakPolarHBondContact CA-O 3.21Å; A332-G350 PolarHBondContact N-O 2.84Å; A332-G350 PolarHBondContact O-N 3.13Å; G350-K358 CarbonylContact C-O 3.56Å; G350-K358 VanDerWaalsContact CA-O 3.23Å; G350-K358 WeakPolarHBondContact CA-O 3.49Å
351A93.8Very high87.3Confident15 Ų1564 Ų6412%0.12436%0.358CS..EExtended strand (participates in β ladder)trans-134.4132.417500000109.9K330 A331 W349 V357 K358K330-A351 CarbonylContact O-C 3.51Å; K330-A351 VanDerWaalsContact O-CA 3.3Å; K330-A351 WeakPolarHBondContact O-CA 3.26Å; A331-A351 HydrophobicContact CB-CB 4.31Å; W349-A351 HydrophobicContact CE3-CB 4.45Å; W349-A351 HydrophobicContact CZ3-CB 4.03Å; A351-V357 CarbonylContact O-C 3.58Å; A351-V357 WeakPolarHBondContact O-CA 3.3Å; A351-K358 PolarHBondContact N-O 2.75Å; A351-K358 PolarHBondContact O-N 3.39Å
352V92.1Very high89.1Confident70 Ų7061.1 Ų61.142%0.42433%0.332SS..EExtended strand (participates in β ladder)trans-108.1114.2169-179.80000106.4E329 K330 V357E329-V352 CarbonylContact C-O 3.56Å; E329-V352 VanDerWaalsContact CA-O 3.26Å; E329-V352 WeakPolarHBondContact CA-O 3.37Å; K330-V352 HydrophobicContact CB-CB 4.46Å; K330-V352 PolarHBondContact N-O 2.84Å; K330-V352 PolarHBondContact O-N 2.88Å; V352-V357 HydrophobicContact CG1-CG2 4.39Å; V352-V357 HydrophobicContact CG2-CG1 4.41Å; V352-V357 HydrophobicContact CG2-CG2 4.41Å
353E88.8Confident90.5Very high81 Ų8161.5 Ų61.538%0.37933%0.332SS..  trans-103.7174.4173.6-62.4171.8-160.600109Q355 A356 K358E353-Q355 PolarHBondContact O-N 2.82Å; E353-Q355 VanDerWaalsContact O-N 3.1Å; E353-A356 WeakPolarHBondContact CA-O 3.49Å; E353-A356 HydrophobicContact CB-CB 4.3Å; E353-A356 PolarHBondContact N-O 2.87Å; E353-K358 IonicContact OE1-NZ 2.85Å; E353-K358 PolarHBondContact OE1-NZ 2.78Å; E353-K358 IonicContact OE2-NZ 3.4Å; E353-K358 PolarHBondContact OE2-NZ 2.79Å
354K85.6Confident91.2Very high150 Ų15057.6 Ų57.665%0.65232%0.32SS*.SBendtrans-57.2-30.6-176.6-69.6178.9-174.7171.10114.5R328R328-K354 HydrophobicContact CB-CG 4.17Å
355Q86.6Confident91.4Very high124 Ų12455.1 Ų55.158%0.57931%0.309SS*.SBendtrans-135.95.4-173.7-78.1-177-1200112.5E353 S379E353-Q355 PolarHBondContact O-N 2.82Å; E353-Q355 VanDerWaalsContact O-N 3.1Å; Q355-S379 VanDerWaalsContact CB-O 3.27Å; Q355-S379 WeakPolarHBondContact CB-O 3.41Å; Q355-S379 WeakPolarHBondContact CG-O 3.39Å; Q355-S379 PolarHBondContact O-N 2.81Å
356A89.8Confident91.2Very high13 Ų1357.7 Ų57.711%0.10733%0.325CS..EExtended strand (participates in β ladder)trans-143.2146.2-175.400000111.7E353 L377 E378E353-A356 WeakPolarHBondContact CA-O 3.49Å; E353-A356 HydrophobicContact CB-CB 4.3Å; E353-A356 PolarHBondContact N-O 2.87Å; A356-L377 CarbonylContact C-O 3.51Å; A356-L377 WeakPolarHBondContact CA-O 3.43Å; A356-E378 HydrophobicContact CB-CG 4.37Å
357V92.6Very high90.8Very high65 Ų6566.8 Ų66.839%0.39435%0.352SS..EExtended strand (participates in β ladder)trans-123.7125.5169.5-179.60000107.4A351 V352 S376 L377A351-V357 CarbonylContact O-C 3.58Å; A351-V357 WeakPolarHBondContact O-CA 3.3Å; V352-V357 HydrophobicContact CG1-CG2 4.39Å; V352-V357 HydrophobicContact CG2-CG1 4.41Å; V352-V357 HydrophobicContact CG2-CG2 4.41Å; V357-S376 CarbonylContact O-C 3.46Å; V357-S376 VanDerWaalsContact O-CA 3.3Å; V357-S376 WeakPolarHBondContact O-CA 3.23Å; V357-L377 HydrophobicContact CB-CB 4.38Å; V357-L377 PolarHBondContact N-O 2.81Å; V357-L377 PolarHBondContact O-N 2.82Å
358K94.3Very high90.4Very high62 Ų6269.6 Ų69.627%0.2737%0.367SS..EExtended strand (participates in β ladder)trans-121.7136.8178.1-62.6170.8-173.7151.30108.7W349 G350 A351 E353 V375W349-K358 HydrophobicContact CH2-CB 3.54Å; W349-K358 HydrophobicContact CH2-CD 4.21Å; W349-K358 HydrophobicContact CH2-CG 4.45Å; W349-K358 HydrophobicContact CZ3-CB 3.65Å; G350-K358 CarbonylContact C-O 3.56Å; G350-K358 VanDerWaalsContact CA-O 3.23Å; G350-K358 WeakPolarHBondContact CA-O 3.49Å; A351-K358 PolarHBondContact N-O 2.75Å; A351-K358 PolarHBondContact O-N 3.39Å; E353-K358 IonicContact OE1-NZ 2.85Å; E353-K358 PolarHBondContact OE1-NZ 2.78Å; E353-K358 IonicContact OE2-NZ 3.4Å; E353-K358 PolarHBondContact OE2-NZ 2.79Å; K358-V375 CarbonylContact C-O 3.53Å; K358-V375 WeakPolarHBondContact CA-O 3.32Å
359A94.4Very high90.1Very high43 Ų4369.4 Ų69.436%0.35537%0.368SS..EExtended strand (participates in β ladder)trans-140.2147175.600000109.9W349 N374 V375W349-A359 CarbonylContact O-C 3.55Å; W349-A359 VanDerWaalsContact O-CA 3.32Å; W349-A359 WeakPolarHBondContact O-CA 3.22Å; A359-N374 CarbonylContact O-C 3.58Å; A359-N374 WeakPolarHBondContact O-CA 3.44Å; A359-V375 HydrophobicContact CB-CB 4.44Å; A359-V375 PolarHBondContact N-O 2.79Å; A359-V375 PolarHBondContact O-N 2.8Å
360H94.5Very high89.8Confident41 Ų4167.5 Ų67.519%0.1937%0.369CS..EExtended strand (participates in β ladder)trans-145.2139.8178.4172.784.6000109.5V348 W349 A373 N374V348-H360 CarbonylContact C-O 3.6Å; V348-H360 VanDerWaalsContact CA-O 3.26Å; V348-H360 WeakPolarHBondContact CA-O 3.28Å; W349-H360 AromaticContact CD1-CD2 3.31Å; W349-H360 AromaticContact CD1-CG 3.47Å; W349-H360 VanDerWaalsContact CD1-CG 3.47Å; W349-H360 HydrophobicContact CD2-CB 3.91Å; W349-H360 HydrophobicContact CG-CB 3.81Å; W349-H360 HydrophobicContact CZ2-CB 3.98Å; W349-H360 PolarHBondContact N-O 2.9Å; W349-H360 AromaticContact NE1-CD2 3.42Å; W349-H360 PolarHBondContact NE1-CD2 3.4Å; W349-H360 AromaticContact NE1-CG 3.17Å; W349-H360 PolarHBondContact O-N 2.87Å; H360-A373 CarbonylContact C-O 3.55Å; H360-A373 WeakPolarHBondContact CA-O 3.3Å; H360-A373 PolarHBondContact ND1-O 2.92Å; H360-N374 PolarHBondContact ND1-OD1 3.29Å
361G93.4Very high89.8Confident23 Ų2370 Ų7024%0.23738%0.375CS..EExtended strand (participates in β ladder)trans-126.8140.317000000109.4G347 K372 A373G347-G361 CarbonylContact O-C 3.55Å; G347-G361 WeakPolarHBondContact O-CA 3.34Å; G361-K372 CarbonylContact O-C 3.51Å; G361-K372 VanDerWaalsContact O-CA 3.29Å; G361-K372 WeakPolarHBondContact O-CA 3.45Å; G361-A373 PolarHBondContact N-O 2.77Å; G361-A373 PolarHBondContact O-N 2.87Å
362S93.4Very high89.7Confident32 Ų3274.4 Ų74.422%0.22439%0.392CS..EExtended strand (participates in β ladder)trans-134.3138.8171.360.10000109.3A346 G347 L371A346-S362 CarbonylContact C-O 3.57Å; A346-S362 WeakPolarHBondContact CA-O 3.41Å; G347-S362 PolarHBondContact N-O 3.43Å; G347-S362 PolarHBondContact O-N 3.42Å; G347-S362 PolarHBondContact O-OG 2.76Å; S362-L371 CarbonylContact C-O 3.6Å; S362-L371 WeakPolarHBondContact CA-O 3.48Å
363L91.8Very high89.8Confident76 Ų7673 Ų7340%0.39839%0.387SS..EExtended strand (participates in β ladder)trans-140.2120.5174.8178.367.4000107.8Q345 A346 P370 L371Q345-L363 CarbonylContact O-C 3.58Å; Q345-L363 WeakPolarHBondContact O-CA 3.46Å; A346-L363 HydrophobicContact CB-CD1 3.87Å; L363-P370 WeakPolarHBondContact O-CA 3.2Å; L363-L371 HydrophobicContact CB-CB 4.4Å; L363-L371 PolarHBondContact N-O 3.44Å; L363-L371 PolarHBondContact O-N 2.83Å
364A88.4Confident90Very high18 Ų1872 Ų7215%0.14939%0.385CS..EExtended strand (participates in β ladder)trans-129.2138.8171.900000108.3Y343 I344 Q345 P370Y343-A364 HydrophobicContact CE1-CB 4.08Å; I344-A364 CarbonylContact C-O 3.59Å; I344-A364 WeakPolarHBondContact CA-O 3.38Å; Q345-A364 HydrophobicContact CB-CB 4.45Å; Q345-A364 PolarHBondContact N-O 2.73Å; Q345-A364 PolarHBondContact O-N 3.49Å; A364-P370 HydrophobicContact CB-CB 4.32Å
365S86.9Confident90.4Very high28 Ų2867.4 Ų67.420%0.19637%0.369CS..EExtended strand (participates in β ladder)trans-140.8166.9172.380.60000109.7Y343 W367 T368Y343-S365 CarbonylContact O-C 3.56Å; Y343-S365 VanDerWaalsContact O-CA 3.23Å; Y343-S365 WeakPolarHBondContact O-CA 3.44Å; S365-W367 PolarHBondContact O-N 3.39Å; S365-W367 PolarHBondContact OG-N 3.27Å; S365-T368 PolarHBondContact OG-N 3.15Å; S365-T368 PolarHBondContact OG-OG1 2.82Å
366L83.9Confident90.8Very high115 Ų11562.8 Ų62.860%0.60235%0.351SS*.SBendtrans-61.2-25.6172.2-173.365.7000112.7Y343Y343-L366 PolarHBondContact O-N 3.2Å
367W83.7Confident91Very high223 Ų22365.9 Ų65.985%0.84537%0.365SS*.SBendtrans-107.1-12.3-168.5-49.7-25.7000113.7S365S365-W367 PolarHBondContact O-N 3.39Å; S365-W367 PolarHBondContact OG-N 3.27Å
368T83.4Confident90.9Very high69 Ų6967.4 Ų67.442%0.42337%0.368SS..SBendtrans-127.9141.7-177.462.80000111S365S365-T368 PolarHBondContact OG-N 3.15Å; S365-T368 PolarHBondContact OG-OG1 2.82Å
369P86.4Confident90.5Very high79 Ų7966.7 Ų66.751%0.51337%0.371SS..  trans-53.6147.2170.8-23.933.5000111.6L371P369-L371 PolarHBondContact O-N 2.79Å
370P89Confident90.1Very high64 Ų6466.7 Ų66.742%0.41637%0.368SS..  trans-62.1127177.826.2-33.7000109.7L363 A364 G393L363-P370 WeakPolarHBondContact O-CA 3.2Å; A364-P370 HydrophobicContact CB-CB 4.32Å; P370-G393 PolarHBondContact O-N 3.13Å
371L91.9Very high89.4Confident78 Ų7874.8 Ų74.841%0.40840%0.403SS..EExtended strand (participates in β ladder)trans-104.5128.1173.7-178.570.9000108S362 L363 P369 T391 C392S362-L371 CarbonylContact C-O 3.6Å; S362-L371 WeakPolarHBondContact CA-O 3.48Å; L363-L371 HydrophobicContact CB-CB 4.4Å; L363-L371 PolarHBondContact N-O 3.44Å; L363-L371 PolarHBondContact O-N 2.83Å; P369-L371 PolarHBondContact O-N 2.79Å; L371-T391 CarbonylContact C-O 3.51Å; L371-T391 WeakPolarHBondContact CA-O 3.35Å; L371-C392 HydrophobicContact CD1-CB 4.2Å
372K93.4Very high88.7Confident108 Ų10877 Ų7747%0.4742%0.415SS..EExtended strand (participates in β ladder)trans-132.6135168.8-47.8176.1178.6178.10109.3G361 A390 T391G361-K372 CarbonylContact O-C 3.51Å; G361-K372 VanDerWaalsContact O-CA 3.29Å; G361-K372 WeakPolarHBondContact O-CA 3.45Å; K372-A390 CarbonylContact O-C 3.49Å; K372-A390 WeakPolarHBondContact O-CA 3.42Å; K372-T391 WeakPolarHBondContact CB-OG1 3.3Å; K372-T391 PolarHBondContact N-O 2.79Å; K372-T391 PolarHBondContact O-N 2.88Å; K372-T391 PolarHBondContact O-OG1 3.25Å
373A93.2Very high88.3Confident40 Ų4077.7 Ų77.733%0.33142%0.42SS..EExtended strand (participates in β ladder)trans-125.713717500000109.3H360 G361 S389H360-A373 CarbonylContact C-O 3.55Å; H360-A373 WeakPolarHBondContact CA-O 3.3Å; H360-A373 PolarHBondContact ND1-O 2.92Å; G361-A373 PolarHBondContact N-O 2.77Å; G361-A373 PolarHBondContact O-N 2.87Å; A373-S389 CarbonylContact C-O 3.59Å; A373-S389 VanDerWaalsContact CA-O 3.26Å; A373-S389 WeakPolarHBondContact CA-O 3.11Å
374N94.1Very high88.3Confident62 Ų6278.7 Ų78.733%0.33242%0.422SS..EExtended strand (participates in β ladder)trans-122.7141.2170.7-53.7-65.1000108.8A359 H360 M388 S389A359-N374 CarbonylContact O-C 3.58Å; A359-N374 WeakPolarHBondContact O-CA 3.44Å; H360-N374 PolarHBondContact ND1-OD1 3.29Å; N374-M388 CarbonylContact O-C 3.6Å; N374-M388 VanDerWaalsContact O-CA 3.3Å; N374-M388 WeakPolarHBondContact O-CA 3.4Å; N374-S389 WeakPolarHBondContact CB-OG 3.19Å; N374-S389 PolarHBondContact N-O 2.8Å; N374-S389 PolarHBondContact ND2-OG 2.8Å; N374-S389 VanDerWaalsContact ND2-OG 3.15Å; N374-S389 PolarHBondContact O-N 3.15Å
375V93.9Very high88.5Confident52 Ų5279 Ų7932%0.31543%0.425SS..EExtended strand (participates in β ladder)trans-133.9128.4171.1179.30000107.3K358 A359 L386 L387 M388K358-V375 CarbonylContact C-O 3.53Å; K358-V375 WeakPolarHBondContact CA-O 3.32Å; A359-V375 HydrophobicContact CB-CB 4.44Å; A359-V375 PolarHBondContact N-O 2.79Å; A359-V375 PolarHBondContact O-N 2.8Å; V375-L386 HydrophobicContact CG1-CD1 3.94Å; V375-L387 CarbonylContact C-O 3.48Å; V375-L387 WeakPolarHBondContact CA-O 3.37Å; V375-M388 HydrophobicContact CG1-CG 4.12Å; V375-M388 HydrophobicContact CG2-CE 3.97Å; V375-M388 HydrophobicContact CG2-CG 4.12Å
376S94.3Very high88.8Confident27 Ų2780.1 Ų80.119%0.18943%0.428CS..EExtended strand (participates in β ladder)trans-133.7128.4170.856.20000110.3V357 L386 L387V357-S376 CarbonylContact O-C 3.46Å; V357-S376 VanDerWaalsContact O-CA 3.3Å; V357-S376 WeakPolarHBondContact O-CA 3.23Å; S376-L386 CarbonylContact O-C 3.52Å; S376-L386 WeakPolarHBondContact O-CA 3.37Å; S376-L387 PolarHBondContact N-O 2.85Å; S376-L387 PolarHBondContact O-N 3.3Å; S376-L387 WeakPolarHBondContact OG-CB 3.36Å
377L93.3Very high89.3Confident79 Ų7977.9 Ų77.941%0.41442%0.416SS..EExtended strand (participates in β ladder)trans-114118.4174.7177.168.7000107.7A356 V357 A385 L386A356-L377 CarbonylContact C-O 3.51Å; A356-L377 WeakPolarHBondContact CA-O 3.43Å; V357-L377 HydrophobicContact CB-CB 4.38Å; V357-L377 PolarHBondContact N-O 2.81Å; V357-L377 PolarHBondContact O-N 2.82Å; L377-A385 CarbonylContact C-O 3.58Å; L377-A385 WeakPolarHBondContact CA-O 3.3Å; L377-L386 HydrophobicContact CB-CD1 4.39Å; L377-L386 HydrophobicContact CD1-CB 4.23Å; L377-L386 HydrophobicContact CD1-CD1 4.43Å
378E91.6Very high89.8Confident96 Ų9671 Ų7145%0.44940%0.395SS..EExtended strand (participates in β ladder)trans-113.1134177.3-63.1-176.3173.900109.3A356 H384 A385A356-E378 HydrophobicContact CB-CG 4.37Å; E378-H384 CarbonylContact O-C 3.57Å; E378-H384 WeakPolarHBondContact O-CA 3.35Å; E378-A385 PolarHBondContact N-O 3.24Å; E378-A385 PolarHBondContact O-N 3.11Å
379S86.3Confident90.3Very high48 Ų4869.5 Ų69.534%0.33639%0.387SS..EExtended strand (participates in β ladder)trans-138.2111-174179.50000110.5Q355 H384Q355-S379 VanDerWaalsContact CB-O 3.27Å; Q355-S379 WeakPolarHBondContact CB-O 3.41Å; Q355-S379 WeakPolarHBondContact CG-O 3.39Å; Q355-S379 PolarHBondContact O-N 2.81Å; S379-H384 PolarHBondContact OG-CE1 2.79Å; S379-H384 PolarHBondContact OG-ND1 2.78Å
380S84.3Confident90.6Very high43 Ų4367.7 Ų67.730%0.30138%0.379SS..  trans-102-175.7171.488.80000111S382 S383S380-S382 PolarHBondContact O-N 3.16Å; S380-S382 PolarHBondContact OG-N 2.83Å; S380-S383 WeakPolarHBondContact CB-OG 3.37Å; S380-S383 PolarHBondContact N-O 2.76Å; S380-S383 PolarHBondContact OG-N 2.81Å; S380-S383 PolarHBondContact OG-O 2.82Å; S380-S383 PolarHBondContact OG-OG 2.78Å
381K80.7Confident90.7Very high210 Ų21066.6 Ų66.691%0.91337%0.371SS*.SBendtrans-63.5-26.1178.2-74-176.8178.5178.40113.6
382S79.6Confident90.5Very high70 Ų7066 Ų6649%0.4937%0.372SS..SBendtrans-138.85.1-174.866.40000113.5S380 S404 G405S380-S382 PolarHBondContact O-N 3.16Å; S380-S382 PolarHBondContact OG-N 2.83Å; S382-S404 CarbonylContact O-C 3.55Å; S382-S404 WeakPolarHBondContact O-CA 3.47Å; S382-G405 VanDerWaalsContact CB-O 3.32Å; S382-G405 WeakPolarHBondContact CB-O 3.3Å; S382-G405 PolarHBondContact O-N 2.8Å; S382-G405 PolarHBondContact OG-O 2.72Å
383S84.9Confident90.1Very high47 Ų4762.8 Ų62.833%0.32937%0.37SS..EExtended strand (participates in β ladder)trans-137.7140176660000111.7S380 V403S380-S383 WeakPolarHBondContact CB-OG 3.37Å; S380-S383 PolarHBondContact N-O 2.76Å; S380-S383 PolarHBondContact OG-N 2.81Å; S380-S383 PolarHBondContact OG-O 2.82Å; S380-S383 PolarHBondContact OG-OG 2.78Å; S383-V403 CarbonylContact C-O 3.52Å; S383-V403 VanDerWaalsContact CA-O 3.26Å; S383-V403 WeakPolarHBondContact CA-O 3.34Å
384H90.8Very high89.7Confident97 Ų9771.1 Ų71.145%0.44939%0.393SS..EExtended strand (participates in β ladder)trans-130.8126.2174.2-56.9-75.9000108.3E378 S379 A402 V403E378-H384 CarbonylContact O-C 3.57Å; E378-H384 WeakPolarHBondContact O-CA 3.35Å; S379-H384 PolarHBondContact OG-CE1 2.79Å; S379-H384 PolarHBondContact OG-ND1 2.78Å; H384-A402 CarbonylContact O-C 3.6Å; H384-A402 WeakPolarHBondContact O-CA 3.43Å; H384-V403 PolarHBondContact N-O 2.81Å; H384-V403 PolarHBondContact O-N 2.77Å
385A92.3Very high89.4Confident24 Ų2472.7 Ų72.720%0.19840%0.398CS..EExtended strand (participates in β ladder)trans-131.1132.3-17900000110.8L377 E378 A401 A402L377-A385 CarbonylContact C-O 3.58Å; L377-A385 WeakPolarHBondContact CA-O 3.3Å; E378-A385 PolarHBondContact N-O 3.24Å; E378-A385 PolarHBondContact O-N 3.11Å; A385-A401 CarbonylContact C-O 3.5Å; A385-A401 WeakPolarHBondContact CA-O 3.4Å; A385-A402 HydrophobicContact CB-CB 4.14Å
386L93.6Very high89.3Confident51 Ų5173 Ų7327%0.26740%0.398SS..EExtended strand (participates in β ladder)trans-116.1121.5173.7175.165.8000108.3V375 S376 L377 M388 F399 T400 A401V375-L386 HydrophobicContact CG1-CD1 3.94Å; S376-L386 CarbonylContact O-C 3.52Å; S376-L386 WeakPolarHBondContact O-CA 3.37Å; L377-L386 HydrophobicContact CB-CD1 4.39Å; L377-L386 HydrophobicContact CD1-CB 4.23Å; L377-L386 HydrophobicContact CD1-CD1 4.43Å; L386-M388 HydrophobicContact CD1-CG 4.05Å; L386-M388 HydrophobicContact CD1-SD 4.41Å; L386-M388 HydrophobicContact CD2-CG 4.47Å; L386-M388 HydrophobicContact CD2-SD 4.02Å; L386-M388 HydrophobicContact CG-CG 4.08Å; L386-M388 HydrophobicContact CG-SD 4.29Å; L386-F399 HydrophobicContact CD2-CE1 4.29Å; L386-T400 CarbonylContact O-C 3.45Å; L386-T400 WeakPolarHBondContact O-CA 3.2Å; L386-A401 HydrophobicContact CB-CB 4.42Å; L386-A401 PolarHBondContact N-O 2.92Å; L386-A401 PolarHBondContact O-N 2.92Å
387L94.1Very high89.1Confident68 Ų6874.2 Ų74.236%0.35640%0.404SS..EExtended strand (participates in β ladder)trans-117.8125.9175-65.8141.5000107.8V375 S376 T400V375-L387 CarbonylContact C-O 3.48Å; V375-L387 WeakPolarHBondContact CA-O 3.37Å; S376-L387 PolarHBondContact N-O 2.85Å; S376-L387 PolarHBondContact O-N 3.3Å; S376-L387 WeakPolarHBondContact OG-CB 3.36Å; L387-T400 HydrophobicContact CD2-CG2 3.66Å; L387-T400 HydrophobicContact CG-CG2 4.35Å
388M94.3Very high89.1Confident79 Ų7972.7 Ų72.739%0.38940%0.4SS..EExtended strand (participates in β ladder)trans-127.9133.7176.2-58177.369.200108.4N374 V375 L386 S398 F399N374-M388 CarbonylContact O-C 3.6Å; N374-M388 VanDerWaalsContact O-CA 3.3Å; N374-M388 WeakPolarHBondContact O-CA 3.4Å; V375-M388 HydrophobicContact CG1-CG 4.12Å; V375-M388 HydrophobicContact CG2-CE 3.97Å; V375-M388 HydrophobicContact CG2-CG 4.12Å; L386-M388 HydrophobicContact CD1-CG 4.05Å; L386-M388 HydrophobicContact CD1-SD 4.41Å; L386-M388 HydrophobicContact CD2-CG 4.47Å; L386-M388 HydrophobicContact CD2-SD 4.02Å; L386-M388 HydrophobicContact CG-CG 4.08Å; L386-M388 HydrophobicContact CG-SD 4.29Å; M388-S398 CarbonylContact O-C 3.54Å; M388-S398 WeakPolarHBondContact O-CA 3.28Å; M388-F399 HydrophobicContact CB-CB 4.27Å; M388-F399 HydrophobicContact CB-CD1 4.42Å; M388-F399 HydrophobicContact CG-CD1 4.38Å; M388-F399 PolarHBondContact N-O 2.84Å; M388-F399 PolarHBondContact O-N 2.96Å; M388-F399 VanDerWaalsContact O-O 3.13Å; M388-F399 HydrophobicContact SD-CD1 4.15Å
389S93.9Very high89.2Confident38 Ų3871 Ų7127%0.26639%0.392SS..EExtended strand (participates in β ladder)trans-135.7139.8172.1540000110.1A373 N374 V397A373-S389 CarbonylContact C-O 3.59Å; A373-S389 VanDerWaalsContact CA-O 3.26Å; A373-S389 WeakPolarHBondContact CA-O 3.11Å; N374-S389 WeakPolarHBondContact CB-OG 3.19Å; N374-S389 PolarHBondContact N-O 2.8Å; N374-S389 PolarHBondContact ND2-OG 2.8Å; N374-S389 VanDerWaalsContact ND2-OG 3.15Å; N374-S389 PolarHBondContact O-N 3.15Å; S389-V397 CarbonylContact C-O 3.59Å; S389-V397 VanDerWaalsContact CA-O 3.3Å; S389-V397 WeakPolarHBondContact CA-O 3.3Å
390A93.1Very high89.6Confident41 Ų4170.8 Ų70.834%0.33939%0.388SS..EExtended strand (participates in β ladder)trans-132.7127.4176.500000109.1K372 N396 V397K372-A390 CarbonylContact O-C 3.49Å; K372-A390 WeakPolarHBondContact O-CA 3.42Å; A390-N396 PolarHBondContact O-OD1 2.88Å; A390-V397 PolarHBondContact N-O 2.79Å; A390-V397 PolarHBondContact O-N 2.88Å
391T91.9Very high90Very high41 Ų4170 Ų7025%0.25238%0.384SS..EExtended strand (participates in β ladder)trans-116.4129.7177.557.70000108.8L371 K372 Q395 N396L371-T391 CarbonylContact C-O 3.51Å; L371-T391 WeakPolarHBondContact CA-O 3.35Å; K372-T391 WeakPolarHBondContact CB-OG1 3.3Å; K372-T391 PolarHBondContact N-O 2.79Å; K372-T391 PolarHBondContact O-N 2.88Å; K372-T391 PolarHBondContact O-OG1 3.25Å; T391-Q395 WeakPolarHBondContact CA-O 3.38Å; T391-N396 HydrophobicContact CG2-CB 3.99Å
392C88.1Confident90.6Very high64 Ų6461.5 Ų61.543%0.43235%0.353SS..EExtended strand (participates in β ladder)trans-129.4106.6175.2-175.10000108.4L371 R394 Q395L371-C392 HydrophobicContact CD1-CB 4.2Å; C392-R394 PolarHBondContact O-N 3Å; C392-Q395 PolarHBondContact N-O 2.76Å; C392-Q395 PolarHBondContact O-N 2.83Å
393G85.1Confident91.1Very high41 Ų4161.9 Ų61.942%0.42335%0.352SS..THydrogen-bonded Turntrans59.7-106.7-173.700000111.9P370P370-G393 PolarHBondContact O-N 3.13Å
394R84.6Confident91.2Very high215 Ų21561.5 Ų61.581%0.81135%0.349SS*.THydrogen-bonded Turntrans-105.1-1.4178.8-55.8-175178.8-179.8-0.5114.4C392 P424C392-R394 PolarHBondContact O-N 3Å; R394-P424 HydrophobicContact CB-CG 3.5Å; R394-P424 HydrophobicContact CG-CG 4.41Å; R394-P424 WeakPolarHBondContact O-CD 2.95Å
395Q87.7Confident90.7Very high96 Ų9658.2 Ų58.245%0.44934%0.342SS..EExtended strand (participates in β ladder)trans-95.8139.1-180-54.9-174.7800109.4T391 C392 K423T391-Q395 WeakPolarHBondContact CA-O 3.38Å; C392-Q395 PolarHBondContact N-O 2.76Å; C392-Q395 PolarHBondContact O-N 2.83Å; Q395-K423 HydrophobicContact CG-CG 4.24Å
396N90.8Very high89.7Confident58 Ų5859.8 Ų59.831%0.3136%0.355SS..EExtended strand (participates in β ladder)trans-129.2129.4177.4178.222.2000110.1A390 T391 T422A390-N396 PolarHBondContact O-OD1 2.88Å; T391-N396 HydrophobicContact CG2-CB 3.99Å; N396-T422 WeakPolarHBondContact CB-OG1 3.26Å; N396-T422 PolarHBondContact N-O 3.49Å; N396-T422 PolarHBondContact O-N 2.82Å; N396-T422 PolarHBondContact O-OG1 2.98Å; N396-T422 VanDerWaalsContact O-OG1 3.05Å
397V91.4Very high88.1Confident53 Ų5362.1 Ų62.132%0.32137%0.368SS..EExtended strand (participates in β ladder)trans-116.3123.2177.6-178.50000107.4S389 A390 M419 G420 I421S389-V397 CarbonylContact C-O 3.59Å; S389-V397 VanDerWaalsContact CA-O 3.3Å; S389-V397 WeakPolarHBondContact CA-O 3.3Å; A390-V397 PolarHBondContact N-O 2.79Å; A390-V397 PolarHBondContact O-N 2.88Å; V397-M419 HydrophobicContact CG1-CE 4.46Å; V397-G420 CarbonylContact C-O 3.13Å; V397-G420 WeakPolarHBondContact CA-O 3.48Å; V397-I421 HydrophobicContact CG1-CG1 4.37Å; V397-I421 HydrophobicContact CG2-CG1 4.27Å; V397-I421 HydrophobicContact CG2-CG2 4.4Å
398S92.8Very high86.4Confident46 Ų4668.9 Ų68.932%0.32239%0.394SS..EExtended strand (participates in β ladder)trans-119.1138.5177.2580000110.5M388 M419 G420M388-S398 CarbonylContact O-C 3.54Å; M388-S398 WeakPolarHBondContact O-CA 3.28Å; S398-M419 CarbonylContact O-C 3.53Å; S398-M419 WeakPolarHBondContact O-CA 3.37Å; S398-G420 PolarHBondContact N-O 2.84Å; S398-G420 PolarHBondContact O-N 3.46Å
399F93.6Very high84.8Confident62 Ų6272.2 Ų72.227%0.27241%0.414SS..EExtended strand (participates in β ladder)trans-132.6127.1175.5174.9-88.9000108.6L386 M388 A401 L417 K418 M419L386-F399 HydrophobicContact CD2-CE1 4.29Å; M388-F399 HydrophobicContact CB-CB 4.27Å; M388-F399 HydrophobicContact CB-CD1 4.42Å; M388-F399 HydrophobicContact CG-CD1 4.38Å; M388-F399 PolarHBondContact N-O 2.84Å; M388-F399 PolarHBondContact O-N 2.96Å; M388-F399 VanDerWaalsContact O-O 3.13Å; M388-F399 HydrophobicContact SD-CD1 4.15Å; F399-A401 HydrophobicContact CE1-CB 3.87Å; F399-A401 HydrophobicContact CZ-CB 4.17Å; F399-L417 HydrophobicContact CD2-CD1 4.41Å; F399-L417 HydrophobicContact CE1-CD1 4.22Å; F399-L417 HydrophobicContact CE2-CD1 3.39Å; F399-L417 HydrophobicContact CE2-CG 4.29Å; F399-L417 HydrophobicContact CZ-CD1 3.28Å; F399-K418 CarbonylContact C-O 3.58Å; F399-K418 WeakPolarHBondContact CA-O 3.44Å; F399-M419 HydrophobicContact CD2-CB 4.3Å
400T93.7Very high83.2Confident43 Ų4372.8 Ų72.826%0.26441%0.413SS..EExtended strand (participates in β ladder)trans-128.5126.6179.6-54.10000108.3L386 L387 L417 K418L386-T400 CarbonylContact O-C 3.45Å; L386-T400 WeakPolarHBondContact O-CA 3.2Å; L387-T400 HydrophobicContact CD2-CG2 3.66Å; L387-T400 HydrophobicContact CG-CG2 4.35Å; T400-L417 CarbonylContact O-C 3.57Å; T400-L417 WeakPolarHBondContact O-CA 3.43Å; T400-K418 PolarHBondContact N-O 3.42Å; T400-K418 PolarHBondContact O-N 3.08Å
401A93.7Very high82.4Confident27 Ų2777.1 Ų77.122%0.22343%0.425CS..EExtended strand (participates in β ladder)trans-128.5123.4172.700000108.5A385 L386 F399 I416 L417A385-A401 CarbonylContact C-O 3.5Å; A385-A401 WeakPolarHBondContact CA-O 3.4Å; L386-A401 HydrophobicContact CB-CB 4.42Å; L386-A401 PolarHBondContact N-O 2.92Å; L386-A401 PolarHBondContact O-N 2.92Å; F399-A401 HydrophobicContact CE1-CB 3.87Å; F399-A401 HydrophobicContact CZ-CB 4.17Å; A401-I416 CarbonylContact C-O 3.58Å; A401-I416 VanDerWaalsContact CA-O 3.31Å; A401-I416 WeakPolarHBondContact CA-O 3.36Å; A401-L417 HydrophobicContact CB-CD1 3.82Å
402A92.8Very high82Confident30 Ų3078.5 Ų78.525%0.24843%0.427CS..EExtended strand (participates in β ladder)trans-134.7137.4-179.700000110.5H384 A385 A415 I416H384-A402 CarbonylContact O-C 3.6Å; H384-A402 WeakPolarHBondContact O-CA 3.43Å; A385-A402 HydrophobicContact CB-CB 4.14Å; A402-A415 CarbonylContact O-C 3.52Å; A402-A415 VanDerWaalsContact O-CA 3.31Å; A402-A415 WeakPolarHBondContact O-CA 3.31Å; A402-I416 PolarHBondContact N-O 3.4Å; A402-I416 PolarHBondContact O-N 3.14Å
403V89.8Confident81.9Confident79 Ų7984.2 Ų84.248%0.47944%0.44SS..EExtended strand (participates in β ladder)trans-124.9123.6172.9179.50000107.9S383 H384 Q414 A415S383-V403 CarbonylContact C-O 3.52Å; S383-V403 VanDerWaalsContact CA-O 3.26Å; S383-V403 WeakPolarHBondContact CA-O 3.34Å; H384-V403 PolarHBondContact N-O 2.81Å; H384-V403 PolarHBondContact O-N 2.77Å; V403-Q414 CarbonylContact C-O 3.59Å; V403-Q414 VanDerWaalsContact CA-O 3.29Å; V403-Q414 WeakPolarHBondContact CA-O 3.38Å; V403-A415 HydrophobicContact CG2-CB 4.09Å
404S87.4Confident82.1Confident38 Ų3885 Ų8527%0.26643%0.432SS..EExtended strand (participates in β ladder)trans-127127.2177.352.50000110.6S382 Q414S382-S404 CarbonylContact O-C 3.55Å; S382-S404 WeakPolarHBondContact O-CA 3.47Å; S404-Q414 PolarHBondContact N-O 3.03Å; S404-Q414 PolarHBondContact O-N 2.77Å
405G80.4Confident82.5Confident29 Ų2976.8 Ų76.830%0.29941%0.411SS..EExtended strand (participates in β ladder)trans-92.8121.716200000109S382 K412S382-G405 VanDerWaalsContact CB-O 3.32Å; S382-G405 WeakPolarHBondContact CB-O 3.3Å; S382-G405 PolarHBondContact O-N 2.8Å; S382-G405 PolarHBondContact OG-O 2.72Å; G405-K412 WeakPolarHBondContact CA-O 3.38Å
406A70.9Confident82.8Confident57 Ų5774.3 Ų74.347%0.47140%0.4SS..EExtended strand (participates in β ladder)trans-115.7150.217400000110.3L410 K412A406-L410 VanDerWaalsContact O-O 3.13Å; A406-K412 PolarHBondContact N-O 2.79Å; A406-K412 PolarHBondContact O-N 2.81Å
407D60.8Low82.9Confident100 Ų10074.6 Ų74.654%0.53540%0.401SS..  trans77.8137.2165.1-152.8-6.3000117.4N409 L410D407-N409 PolarHBondContact OD1-N 3.47Å; D407-N409 VanDerWaalsContact OD1-N 3.16Å; D407-L410 HydrophobicContact CB-CB 4.37Å; D407-L410 WeakPolarHBondContact CB-O 3.44Å
408K58.8Low83Confident209 Ų20976.5 Ų76.591%0.90941%0.405SS*.SBendtrans-84.7-24.3175.6-75.1-176178.5179.20111.6
409N58.8Low83Confident149 Ų14978.5 Ų78.580%0.79741%0.41SS*.SBendtrans-94.4-33.9-176.3-68.2-22.5000112.7D407D407-N409 PolarHBondContact OD1-N 3.47Å; D407-N409 VanDerWaalsContact OD1-N 3.16Å
410L61.7Low82.9Confident50 Ų5075.7 Ų75.726%0.26240%0.399SS..SBendtrans-114.8118.8175.2-60171.3000107.4A406 D407 K412 L440A406-L410 VanDerWaalsContact O-O 3.13Å; D407-L410 HydrophobicContact CB-CB 4.37Å; D407-L410 WeakPolarHBondContact CB-O 3.44Å; L410-K412 PolarHBondContact O-N 2.77Å; L410-L440 HydrophobicContact CD2-CD1 3.31Å; L410-L440 HydrophobicContact CD2-CG 4.49Å
411K76.1Confident82.6Confident132 Ų13276.4 Ų76.457%0.57440%0.401SS*.EExtended strand (participates in β ladder)trans-76.273.3176.7-63.4174.9-172.2160.50109.3E439K411-E439 HydrophobicContact CB-CB 4.21Å; K411-E439 WeakPolarHBondContact CD-OE2 3.08Å; K411-E439 PolarHBondContact N-O 3.32Å; K411-E439 IonicContact NZ-OE1 2.96Å; K411-E439 PolarHBondContact NZ-OE1 2.8Å; K411-E439 IonicContact NZ-OE2 3.43Å; K411-E439 PolarHBondContact NZ-OE2 2.8Å; K411-E439 PolarHBondContact O-N 2.87Å
412K83.4Confident82.2Confident70 Ų7077.5 Ų77.530%0.30441%0.405SS..EExtended strand (participates in β ladder)trans-93.5126-177.5-168.8168.5-172.3141.70110.6G405 A406 L410 V437 E438G405-K412 WeakPolarHBondContact CA-O 3.38Å; A406-K412 PolarHBondContact N-O 2.79Å; A406-K412 PolarHBondContact O-N 2.81Å; L410-K412 PolarHBondContact O-N 2.77Å; K412-V437 CarbonylContact C-O 3.55Å; K412-V437 WeakPolarHBondContact CA-O 3.46Å; K412-E438 HydrophobicContact CB-CG 4.45Å; K412-E438 HydrophobicContact CG-CB 4.48Å; K412-E438 HydrophobicContact CG-CG 4.47Å; K412-E438 IonicContact NZ-OE2 3.83Å; K412-E438 PolarHBondContact NZ-OE2 2.81Å
413R85.4Confident81.7Confident185 Ų18581 Ų8170%0.69842%0.415SS*.EExtended strand (participates in β ladder)trans-120.5130.4173.6-63.5-175.9-179.3-165.9-0.5108.7W436 V437R413-W436 CarbonylContact O-C 3.53Å; R413-W436 WeakPolarHBondContact O-CA 3.3Å; R413-V437 PolarHBondContact N-O 2.78Å; R413-V437 PolarHBondContact O-N 2.79Å
414Q90.6Very high81.2Confident56 Ų5680.6 Ų80.626%0.26241%0.414SS..EExtended strand (participates in β ladder)trans-122.5140.1177.9-172.6179.518.900108.9V403 S404 I416 E434 G435 W436V403-Q414 CarbonylContact C-O 3.59Å; V403-Q414 VanDerWaalsContact CA-O 3.29Å; V403-Q414 WeakPolarHBondContact CA-O 3.38Å; S404-Q414 PolarHBondContact N-O 3.03Å; S404-Q414 PolarHBondContact O-N 2.77Å; Q414-I416 HydrophobicContact CG-CD1 4.44Å; Q414-I416 HydrophobicContact CG-CG1 4.22Å; Q414-E434 PolarHBondContact NE2-OE1 2.8Å; Q414-G435 CarbonylContact C-O 3.47Å; Q414-G435 WeakPolarHBondContact CA-O 3.33Å; Q414-W436 HydrophobicContact CB-CB 4.35Å; Q414-W436 HydrophobicContact CG-CB 4.37Å
415A91.6Very high80.6Confident44 Ų4489.3 Ų89.336%0.36445%0.447SS..EExtended strand (participates in β ladder)trans-129.4130174.200000108.4A402 V403 E434 G435A402-A415 CarbonylContact O-C 3.52Å; A402-A415 VanDerWaalsContact O-CA 3.31Å; A402-A415 WeakPolarHBondContact O-CA 3.31Å; V403-A415 HydrophobicContact CG2-CB 4.09Å; A415-E434 CarbonylContact O-C 3.54Å; A415-E434 WeakPolarHBondContact O-CA 3.31Å; A415-G435 PolarHBondContact N-O 3.25Å; A415-G435 PolarHBondContact O-N 2.79Å
416I93.7Very high80.4Confident43 Ų4391 Ų9122%0.22145%0.454CS..EExtended strand (participates in β ladder)trans-127.2131.3179.8-60.7172.4000107.8A401 A402 Q414 K418 L433 E434A401-I416 CarbonylContact C-O 3.58Å; A401-I416 VanDerWaalsContact CA-O 3.31Å; A401-I416 WeakPolarHBondContact CA-O 3.36Å; A402-I416 PolarHBondContact N-O 3.4Å; A402-I416 PolarHBondContact O-N 3.14Å; Q414-I416 HydrophobicContact CG-CD1 4.44Å; Q414-I416 HydrophobicContact CG-CG1 4.22Å; I416-K418 HydrophobicContact CG2-CD 4.34Å; I416-K418 HydrophobicContact CG2-CG 3.93Å; I416-L433 CarbonylContact C-O 3.5Å; I416-E434 HydrophobicContact CG1-CB 4.48Å; I416-E434 HydrophobicContact CG1-CG 4.06Å
417L93.9Very high80.7Confident64 Ų6493.8 Ų93.834%0.33547%0.467SS..EExtended strand (participates in β ladder)trans-128120.1175.7-177.673.2000108F399 T400 A401 E432 L433F399-L417 HydrophobicContact CD2-CD1 4.41Å; F399-L417 HydrophobicContact CE1-CD1 4.22Å; F399-L417 HydrophobicContact CE2-CD1 3.39Å; F399-L417 HydrophobicContact CE2-CG 4.29Å; F399-L417 HydrophobicContact CZ-CD1 3.28Å; T400-L417 CarbonylContact O-C 3.57Å; T400-L417 WeakPolarHBondContact O-CA 3.43Å; A401-L417 HydrophobicContact CB-CD1 3.82Å; L417-E432 CarbonylContact O-C 3.5Å; L417-E432 WeakPolarHBondContact O-CA 3.38Å; L417-L433 HydrophobicContact CB-CB 4.18Å; L417-L433 HydrophobicContact CD2-CB 4.45Å; L417-L433 HydrophobicContact CD2-CD2 4.33Å; L417-L433 PolarHBondContact N-O 3.18Å; L417-L433 PolarHBondContact O-N 2.78Å
418K93.7Very high81.6Confident93 Ų9392.3 Ų92.340%0.40446%0.462SS..EExtended strand (participates in β ladder)trans-126.6130.7177.6-58.8-171.6-174.3-142.70109.7F399 T400 I416 V431 E432F399-K418 CarbonylContact C-O 3.58Å; F399-K418 WeakPolarHBondContact CA-O 3.44Å; T400-K418 PolarHBondContact N-O 3.42Å; T400-K418 PolarHBondContact O-N 3.08Å; I416-K418 HydrophobicContact CG2-CD 4.34Å; I416-K418 HydrophobicContact CG2-CG 3.93Å; K418-V431 CarbonylContact C-O 3.57Å; K418-V431 WeakPolarHBondContact CA-O 3.17Å; K418-E432 WeakPolarHBondContact CE-OE1 3.48Å; K418-E432 HydrophobicContact CG-CB 4.44Å; K418-E432 HydrophobicContact CG-CG 4.17Å; K418-E432 IonicContact NZ-OE1 3.93Å; K418-E432 PolarHBondContact NZ-OE1 2.82Å
419M92.9Very high82.8Confident88 Ų8887.5 Ų87.543%0.43344%0.444SS..EExtended strand (participates in β ladder)trans-127.7127.6173.3-177.6175.3174.500109V397 S398 F399 E430 V431V397-M419 HydrophobicContact CG1-CE 4.46Å; S398-M419 CarbonylContact O-C 3.53Å; S398-M419 WeakPolarHBondContact O-CA 3.37Å; F399-M419 HydrophobicContact CD2-CB 4.3Å; M419-E430 CarbonylContact O-C 3.51Å; M419-E430 WeakPolarHBondContact O-CA 3.39Å; M419-V431 PolarHBondContact N-O 3.1Å; M419-V431 PolarHBondContact O-N 2.8Å
420G90.3Very high84.3Confident4 Ų486.4 Ų86.44%0.04143%0.434CS..EExtended strand (participates in β ladder)trans-131.5137.3-176.600000111.6V397 S398 M429V397-G420 CarbonylContact C-O 3.13Å; V397-G420 WeakPolarHBondContact CA-O 3.48Å; S398-G420 PolarHBondContact N-O 2.84Å; S398-G420 PolarHBondContact O-N 3.46Å; G420-M429 CarbonylContact C-O 3.59Å; G420-M429 WeakPolarHBondContact CA-O 3.32Å
421I87.4Confident85.7Confident58 Ų5886 Ų8630%0.29743%0.434SS..EExtended strand (participates in β ladder)trans-120.3119.1170.8-55.8176.5000107.9V397 M429V397-I421 HydrophobicContact CG1-CG1 4.37Å; V397-I421 HydrophobicContact CG2-CG1 4.27Å; V397-I421 HydrophobicContact CG2-CG2 4.4Å; I421-M429 PolarHBondContact N-O 2.77Å; I421-M429 PolarHBondContact O-N 2.81Å; I421-M429 VanDerWaalsContact O-N 3.13Å
422T86.6Confident86.5Confident50 Ų5081.1 Ų81.131%0.30741%0.413SS..EExtended strand (participates in β ladder)trans-110.1129.7177.243.30000110.1N396 T428N396-T422 WeakPolarHBondContact CB-OG1 3.26Å; N396-T422 PolarHBondContact N-O 3.49Å; N396-T422 PolarHBondContact O-N 2.82Å; N396-T422 PolarHBondContact O-OG1 2.98Å; N396-T422 VanDerWaalsContact O-OG1 3.05Å; T422-T428 HydrophobicContact CG2-CG2 3.48Å; T422-T428 VanDerWaalsContact CG2-CG2 3.48Å
423K82.2Confident87Confident104 Ų10480.6 Ų80.645%0.45241%0.413SS..  trans-123.6146.2172.2-67.9-177.8-178.7173.80109.3Q395 K425 S426Q395-K423 HydrophobicContact CG-CG 4.24Å; K423-K425 PolarHBondContact O-N 2.98Å; K423-S426 PolarHBondContact O-N 2.87Å
424P77.6Confident87.4Confident70 Ų7073.6 Ų73.646%0.45539%0.388SS..THydrogen-bonded Turntrans-62.4133.8177.9-15.427.9000110.6R394 S426R394-P424 HydrophobicContact CB-CG 3.5Å; R394-P424 HydrophobicContact CG-CG 4.41Å; R394-P424 WeakPolarHBondContact O-CD 2.95Å; P424-S426 VanDerWaalsContact C-N 3.25Å; P424-S426 PolarHBondContact O-N 2.65Å
425K75.1Confident87.5Confident221 Ų22171.6 Ų71.696%0.96138%0.383SS*.THydrogen-bonded Turntrans62.722.5178.4-50.4-177.5177.6-174.50115K423K423-K425 PolarHBondContact O-N 2.98Å
426S76.3Confident87.5Confident65 Ų6571.2 Ų71.246%0.45537%0.372SS..SBendtrans-129.4152.3174.2-57.80000110.4K423 P424K423-S426 PolarHBondContact O-N 2.87Å; P424-S426 VanDerWaalsContact C-N 3.25Å; P424-S426 PolarHBondContact O-N 2.65Å
427P77.1Confident87.3Confident114 Ų11472 Ų7274%0.7438%0.378SS*.  trans-62.1142.4174.425.9-33.1000110.6M429P427-M429 PolarHBondContact O-N 2.77Å
428T79.6Confident87.1Confident69 Ų6970.9 Ų70.942%0.42337%0.371SS..  trans-67.5129.7176.8-49.50000109.8T422 E430T422-T428 HydrophobicContact CG2-CG2 3.48Å; T422-T428 VanDerWaalsContact CG2-CG2 3.48Å; T428-E430 HydrophobicContact CG2-CG 3.52Å
429M85.5Confident86.8Confident108 Ų10869 Ų6953%0.53236%0.364SS..EExtended strand (participates in β ladder)trans-92.4110.5171.2-67176.5177.800108G420 I421 P427 P458G420-M429 CarbonylContact C-O 3.59Å; G420-M429 WeakPolarHBondContact CA-O 3.32Å; I421-M429 PolarHBondContact N-O 2.77Å; I421-M429 PolarHBondContact O-N 2.81Å; I421-M429 VanDerWaalsContact O-N 3.13Å; P427-M429 PolarHBondContact O-N 2.77Å; M429-P458 HydrophobicContact CB-CG 4.25Å
430E88.7Confident86.4Confident127 Ų12767.2 Ų67.259%0.59336%0.356SS*.EExtended strand (participates in β ladder)trans-119.6132.7179.7-58.3-168.6166.600111M419 T428 P458M419-E430 CarbonylContact O-C 3.51Å; M419-E430 WeakPolarHBondContact O-CA 3.39Å; T428-E430 HydrophobicContact CG2-CG 3.52Å; E430-P458 WeakPolarHBondContact O-CD 3.33Å
431V91.4Very high85.9Confident42 Ų4275.6 Ų75.626%0.25539%0.386SS..EExtended strand (participates in β ladder)trans-116125.2170.8179.20000107.4K418 M419 F455 R456 Q457 F459K418-V431 CarbonylContact C-O 3.57Å; K418-V431 WeakPolarHBondContact CA-O 3.17Å; M419-V431 PolarHBondContact N-O 3.1Å; M419-V431 PolarHBondContact O-N 2.8Å; V431-F455 HydrophobicContact CG1-CE2 3.67Å; V431-F455 HydrophobicContact CG1-CZ 4.3Å; V431-R456 WeakPolarHBondContact CA-O 3.35Å; V431-Q457 HydrophobicContact CG2-CB 4.41Å; V431-F459 HydrophobicContact CG2-CE2 4.29Å
432E93.4Very high85.2Confident29 Ų2981.9 Ų81.914%0.13641%0.406CS..EExtended strand (participates in β ladder)trans-125.5128.4-179.5173.7176-134.700109.3L417 K418 F455 R456L417-E432 CarbonylContact O-C 3.5Å; L417-E432 WeakPolarHBondContact O-CA 3.38Å; K418-E432 WeakPolarHBondContact CE-OE1 3.48Å; K418-E432 HydrophobicContact CG-CB 4.44Å; K418-E432 HydrophobicContact CG-CG 4.17Å; K418-E432 IonicContact NZ-OE1 3.93Å; K418-E432 PolarHBondContact NZ-OE1 2.82Å; E432-F455 CarbonylContact O-C 3.6Å; E432-F455 WeakPolarHBondContact O-CA 3.41Å; E432-R456 HydrophobicContact CB-CB 4.26Å; E432-R456 PolarHBondContact N-O 3.1Å; E432-R456 PolarHBondContact O-N 2.82Å; E432-R456 WeakPolarHBondContact OE2-CD 3.27Å; E432-R456 IonicContact OE2-CZ 2.65Å; E432-R456 IonicContact OE2-NH1 3.76Å; E432-R456 PolarHBondContact OE2-NH1 3.1Å
433L93.4Very high84.6Confident58 Ų5885 Ų8530%0.30442%0.421SS..EExtended strand (participates in β ladder)trans-124.6112.3171.3179.472.9000107.8I416 L417 L453 Q454 F455I416-L433 CarbonylContact C-O 3.5Å; L417-L433 HydrophobicContact CB-CB 4.18Å; L417-L433 HydrophobicContact CD2-CB 4.45Å; L417-L433 HydrophobicContact CD2-CD2 4.33Å; L417-L433 PolarHBondContact N-O 3.18Å; L417-L433 PolarHBondContact O-N 2.78Å; L433-L453 HydrophobicContact CD1-CD1 3.69Å; L433-L453 HydrophobicContact CD1-CD2 4.24Å; L433-L453 HydrophobicContact CD1-CG 3.88Å; L433-L453 HydrophobicContact CG-CD1 4.18Å; L433-Q454 CarbonylContact C-O 3.59Å; L433-Q454 WeakPolarHBondContact CA-O 3.43Å; L433-F455 HydrophobicContact CB-CD2 4.34Å; L433-F455 HydrophobicContact CD1-CB 3.94Å; L433-F455 HydrophobicContact CD1-CD2 4Å; L433-F455 HydrophobicContact CD1-CG 4.41Å
434E94.1Very high84.3Confident39 Ų3990.8 Ų90.818%0.18244%0.44CS..EExtended strand (participates in β ladder)trans-116.9134.8178.1173.2170.8-168.200108.9Q414 A415 I416 L453 Q454Q414-E434 PolarHBondContact NE2-OE1 2.8Å; A415-E434 CarbonylContact O-C 3.54Å; A415-E434 WeakPolarHBondContact O-CA 3.31Å; I416-E434 HydrophobicContact CG1-CB 4.48Å; I416-E434 HydrophobicContact CG1-CG 4.06Å; E434-L453 CarbonylContact O-C 3.47Å; E434-L453 WeakPolarHBondContact O-CA 3.36Å; E434-Q454 HydrophobicContact CB-CB 4.46Å; E434-Q454 PolarHBondContact N-O 2.82Å; E434-Q454 PolarHBondContact O-N 2.7Å
435G92.6Very high84.4Confident14 Ų1494 Ų9414%0.14445%0.447CS..EExtended strand (participates in β ladder)trans-141147.1175.200000111.8Q414 A415 Q452Q414-G435 CarbonylContact C-O 3.47Å; Q414-G435 WeakPolarHBondContact CA-O 3.33Å; A415-G435 PolarHBondContact N-O 3.25Å; A415-G435 PolarHBondContact O-N 2.79Å; G435-Q452 CarbonylContact C-O 3.5Å; G435-Q452 WeakPolarHBondContact CA-O 3.29Å
436W92.1Very high84.9Confident35 Ų3585.5 Ų85.513%0.13341%0.411CS..EExtended strand (participates in β ladder)trans-139.2152172.760-98.4000111.7R413 Q414 E438 A450 A451 Q452R413-W436 CarbonylContact O-C 3.53Å; R413-W436 WeakPolarHBondContact O-CA 3.3Å; Q414-W436 HydrophobicContact CB-CB 4.35Å; Q414-W436 HydrophobicContact CG-CB 4.37Å; W436-E438 HydrophobicContact CE3-CB 3.88Å; W436-E438 HydrophobicContact CZ3-CB 3.66Å; W436-A450 HydrophobicContact CH2-CB 4.03Å; W436-A450 HydrophobicContact CZ3-CB 3.79Å; W436-A451 CarbonylContact O-C 3.46Å; W436-A451 VanDerWaalsContact O-CA 3.3Å; W436-A451 WeakPolarHBondContact O-CA 3.49Å; W436-Q452 HydrophobicContact CD2-CB 3.85Å; W436-Q452 HydrophobicContact CG-CB 4.21Å; W436-Q452 HydrophobicContact CH2-CB 4.29Å; W436-Q452 HydrophobicContact CZ2-CB 3.57Å; W436-Q452 HydrophobicContact CZ2-CG 4.27Å; W436-Q452 PolarHBondContact N-O 2.77Å; W436-Q452 PolarHBondContact O-N 2.72Å
437V90.2Very high85.5Confident59 Ų5985.6 Ų85.636%0.35840%0.402SS..EExtended strand (participates in β ladder)trans-129.1130.4173-179.60000107.7K412 R413 A450 A451K412-V437 CarbonylContact C-O 3.55Å; K412-V437 WeakPolarHBondContact CA-O 3.46Å; R413-V437 PolarHBondContact N-O 2.78Å; R413-V437 PolarHBondContact O-N 2.79Å; V437-A450 CarbonylContact C-O 3.59Å; V437-A450 WeakPolarHBondContact CA-O 3.31Å; V437-A451 HydrophobicContact CG2-CB 4.08Å
438E89.6Confident86Confident42 Ų4283 Ų8320%0.19638%0.38CS..EExtended strand (participates in β ladder)trans-127.3127-179.5-167.6171.4154.400109K412 W436 K449 A450K412-E438 HydrophobicContact CB-CG 4.45Å; K412-E438 HydrophobicContact CG-CB 4.48Å; K412-E438 HydrophobicContact CG-CG 4.47Å; K412-E438 IonicContact NZ-OE2 3.83Å; K412-E438 PolarHBondContact NZ-OE2 2.81Å; W436-E438 HydrophobicContact CE3-CB 3.88Å; W436-E438 HydrophobicContact CZ3-CB 3.66Å; E438-K449 WeakPolarHBondContact O-CA 3.36Å; E438-A450 PolarHBondContact N-O 2.89Å; E438-A450 PolarHBondContact O-N 2.76Å
439E86.7Confident86.6Confident53 Ų5384.2 Ų84.225%0.24838%0.379CS..EExtended strand (participates in β ladder)trans-111.9116.2173.1-174.1-170144.200108.3K411 Y447K411-E439 HydrophobicContact CB-CB 4.21Å; K411-E439 WeakPolarHBondContact CD-OE2 3.08Å; K411-E439 PolarHBondContact N-O 3.32Å; K411-E439 IonicContact NZ-OE1 2.96Å; K411-E439 PolarHBondContact NZ-OE1 2.8Å; K411-E439 IonicContact NZ-OE2 3.43Å; K411-E439 PolarHBondContact NZ-OE2 2.8Å; K411-E439 PolarHBondContact O-N 2.87Å; E439-Y447 HydrophobicContact CG-CE2 3.65Å
440L83.9Confident86.9Confident51 Ų5179.5 Ų79.527%0.26736%0.358SS..EExtended strand (participates in β ladder)trans-111.7121.5177.2178.872000108.9L410 Q448L410-L440 HydrophobicContact CD2-CD1 3.31Å; L410-L440 HydrophobicContact CD2-CG 4.49Å; L440-Q448 HydrophobicContact CB-CB 4.43Å; L440-Q448 PolarHBondContact N-O 2.82Å; L440-Q448 PolarHBondContact O-N 2.74Å; L440-Q448 VanDerWaalsContact O-O 3.13Å
441R80Confident87.1Confident179 Ų17975.2 Ų75.268%0.67534%0.344SS*.EExtended strand (participates in β ladder)trans-119.3100.5171.1-171.4179.2-174.8177.13.9108.7
442R73Confident87.2Confident191 Ų19175.1 Ų75.172%0.72134%0.34SS*.EExtended strand (participates in β ladder)trans-79.6-40.9-177.7-159.3173.3-177.4173.7-1.6111.8M446R442-M446 HydrophobicContact CB-CE 3.52Å; R442-M446 HydrophobicContact CB-SD 4.2Å; R442-M446 VanDerWaalsContact CD-CE 3.43Å; R442-M446 HydrophobicContact CG-CE 4.12Å; R442-M446 PolarHBondContact N-O 2.76Å
443D74.4Confident87.2Confident114 Ų11477.3 Ų77.361%0.6135%0.353SS*.EExtended strand (participates in β ladder)trans-155.5179.1-179-83.3-45000112.7K445 M446D443-K445 PolarHBondContact O-N 3.36Å; D443-K445 VanDerWaalsContact O-N 3.16Å; D443-M446 PolarHBondContact O-N 3.01Å
444R76.2Confident87.2Confident226 Ų22676.4 Ų76.485%0.85335%0.347SS*.THydrogen-bonded Turntrans-59.7-20.4170.8-76.5-171.9-179.4-1791.1113.5
445K80.4Confident87.1Confident137 Ų13777.1 Ų77.160%0.59635%0.35SS*.THydrogen-bonded Turntrans-102.4-12.3-173.7-64.1-174.9179.5-178.60114.8D443 L476 A477D443-K445 PolarHBondContact O-N 3.36Å; D443-K445 VanDerWaalsContact O-N 3.16Å; K445-L476 HydrophobicContact CB-CB 4.37Å; K445-L476 WeakPolarHBondContact O-CB 3.25Å; K445-L476 PolarHBondContact O-N 3.35Å; K445-A477 HydrophobicContact CD-CB 4.46Å
446M84.2Confident87Confident44 Ų4481.4 Ų81.422%0.21736%0.361CS..EExtended strand (participates in β ladder)trans-136.3123.5-177.7-170.5-87.8-90.400111.6R442 D443 Q448 V474R442-M446 HydrophobicContact CB-CE 3.52Å; R442-M446 HydrophobicContact CB-SD 4.2Å; R442-M446 VanDerWaalsContact CD-CE 3.43Å; R442-M446 HydrophobicContact CG-CE 4.12Å; R442-M446 PolarHBondContact N-O 2.76Å; D443-M446 PolarHBondContact O-N 3.01Å; M446-Q448 HydrophobicContact SD-CB 4.45Å; M446-V474 WeakPolarHBondContact CA-O 3.43Å
447Y88.4Confident86.8Confident67 Ų6780.3 Ų80.326%0.26336%0.358SS..EExtended strand (participates in β ladder)trans-129.4135.1177.3171.2-94.8000109.5E439 K449 F472 T473 V474E439-Y447 HydrophobicContact CG-CE2 3.65Å; Y447-K449 HydrophobicContact CE1-CB 3.93Å; Y447-F472 HydrophobicContact CD1-CD1 4.45Å; Y447-F472 HydrophobicContact CE1-CD1 4.19Å; Y447-T473 CarbonylContact O-C 3.53Å; Y447-T473 WeakPolarHBondContact O-CA 3.45Å; Y447-V474 HydrophobicContact CD1-CG2 4.08Å; Y447-V474 PolarHBondContact N-O 3.02Å; Y447-V474 PolarHBondContact O-N 2.84Å
448Q89.3Confident86.5Confident58 Ų5880.2 Ų80.227%0.27136%0.358SS..EExtended strand (participates in β ladder)trans-135.5132.7176-171.3177.321.900110.1L440 M446 T471 F472L440-Q448 HydrophobicContact CB-CB 4.43Å; L440-Q448 PolarHBondContact N-O 2.82Å; L440-Q448 PolarHBondContact O-N 2.74Å; L440-Q448 VanDerWaalsContact O-O 3.13Å; M446-Q448 HydrophobicContact SD-CB 4.45Å; Q448-T471 HydrophobicContact CG-CG2 4.01Å; Q448-F472 CarbonylContact C-O 3.57Å; Q448-F472 WeakPolarHBondContact CA-O 3.44Å
449K91.3Very high86.2Confident96 Ų9684.2 Ų84.242%0.41738%0.375SS..EExtended strand (participates in β ladder)trans-126.6119.2171.9-169.9-179.9-177-177.80108.5E438 Y447 F472E438-K449 WeakPolarHBondContact O-CA 3.36Å; Y447-K449 HydrophobicContact CE1-CB 3.93Å; K449-F472 PolarHBondContact N-O 2.9Å; K449-F472 PolarHBondContact O-N 2.66Å
450A91.7Very high85.8Confident9 Ų990.3 Ų90.37%0.07440%0.404CS..EExtended strand (participates in β ladder)trans-114.4138177.900000109.9W436 V437 E438 E470 T471W436-A450 HydrophobicContact CH2-CB 4.03Å; W436-A450 HydrophobicContact CZ3-CB 3.79Å; V437-A450 CarbonylContact C-O 3.59Å; V437-A450 WeakPolarHBondContact CA-O 3.31Å; E438-A450 PolarHBondContact N-O 2.89Å; E438-A450 PolarHBondContact O-N 2.76Å; A450-E470 CarbonylContact C-O 3.59Å; A450-E470 VanDerWaalsContact CA-O 3.3Å; A450-E470 WeakPolarHBondContact CA-O 3.34Å; A450-T471 HydrophobicContact CB-CG2 4.37Å
451A92.6Very high85.3Confident36 Ų3695.9 Ų95.930%0.29843%0.434SS..EExtended strand (participates in β ladder)trans-125.5139.8170.500000108.7W436 V437 R469 E470W436-A451 CarbonylContact O-C 3.46Å; W436-A451 VanDerWaalsContact O-CA 3.3Å; W436-A451 WeakPolarHBondContact O-CA 3.49Å; V437-A451 HydrophobicContact CG2-CB 4.08Å; A451-R469 CarbonylContact O-C 3.54Å; A451-R469 VanDerWaalsContact O-CA 3.29Å; A451-R469 WeakPolarHBondContact O-CA 3.27Å; A451-E470 PolarHBondContact N-O 2.8Å; A451-E470 PolarHBondContact O-N 2.81Å
452Q93.1Very high85Confident40 Ų4092.4 Ų92.419%0.18742%0.424CS..EExtended strand (participates in β ladder)trans-132.8140.7174-173-179.8-63.400109.2G435 W436 L467 L468 R469G435-Q452 CarbonylContact C-O 3.5Å; G435-Q452 WeakPolarHBondContact CA-O 3.29Å; W436-Q452 HydrophobicContact CD2-CB 3.85Å; W436-Q452 HydrophobicContact CG-CB 4.21Å; W436-Q452 HydrophobicContact CH2-CB 4.29Å; W436-Q452 HydrophobicContact CZ2-CB 3.57Å; W436-Q452 HydrophobicContact CZ2-CG 4.27Å; W436-Q452 PolarHBondContact N-O 2.77Å; W436-Q452 PolarHBondContact O-N 2.72Å; Q452-L467 HydrophobicContact CG-CD1 3.61Å; Q452-L468 CarbonylContact C-O 3.58Å; Q452-L468 VanDerWaalsContact CA-O 3.23Å; Q452-L468 WeakPolarHBondContact CA-O 3.33Å; Q452-R469 HydrophobicContact CG-CB 4.42Å
453L93.8Very high85.3Confident75 Ų7585.6 Ų85.639%0.39340%0.404SS..EExtended strand (participates in β ladder)trans-130.6123.1172.7-169.772.9000108.5L433 E434 L467 L468L433-L453 HydrophobicContact CD1-CD1 3.69Å; L433-L453 HydrophobicContact CD1-CD2 4.24Å; L433-L453 HydrophobicContact CD1-CG 3.88Å; L433-L453 HydrophobicContact CG-CD1 4.18Å; E434-L453 CarbonylContact O-C 3.47Å; E434-L453 WeakPolarHBondContact O-CA 3.36Å; L453-L467 CarbonylContact O-C 3.54Å; L453-L467 WeakPolarHBondContact O-CA 3.23Å; L453-L468 HydrophobicContact CB-CB 4.33Å; L453-L468 HydrophobicContact CD2-CD1 4.49Å; L453-L468 PolarHBondContact N-O 2.75Å; L453-L468 PolarHBondContact O-N 2.75Å
454Q92.9Very high85.8Confident40 Ų4084.6 Ų84.619%0.18740%0.396CS..EExtended strand (participates in β ladder)trans-116.5122.3176.7-179.3169.923.200108.9L433 E434 R456 L466 L467L433-Q454 CarbonylContact C-O 3.59Å; L433-Q454 WeakPolarHBondContact CA-O 3.43Å; E434-Q454 HydrophobicContact CB-CB 4.46Å; E434-Q454 PolarHBondContact N-O 2.82Å; E434-Q454 PolarHBondContact O-N 2.7Å; Q454-R456 HydrophobicContact CG-CG 4.4Å; Q454-R456 VanDerWaalsContact NE2-NH2 3.16Å; Q454-L466 CarbonylContact C-O 3.51Å; Q454-L466 WeakPolarHBondContact CA-O 3.5Å; Q454-L467 HydrophobicContact CB-CD1 4.03Å; Q454-L467 HydrophobicContact CG-CD1 4.44Å
455F92.1Very high86.3Confident54 Ų5476 Ų7624%0.23737%0.368CS..EExtended strand (participates in β ladder)trans-117.3129.6175.8178.7-118.3000109.7V431 E432 L433 Q457 F462 T465 L466V431-F455 HydrophobicContact CG1-CE2 3.67Å; V431-F455 HydrophobicContact CG1-CZ 4.3Å; E432-F455 CarbonylContact O-C 3.6Å; E432-F455 WeakPolarHBondContact O-CA 3.41Å; L433-F455 HydrophobicContact CB-CD2 4.34Å; L433-F455 HydrophobicContact CD1-CB 3.94Å; L433-F455 HydrophobicContact CD1-CD2 4Å; L433-F455 HydrophobicContact CD1-CG 4.41Å; F455-Q457 HydrophobicContact CD1-CG 4.2Å; F455-Q457 HydrophobicContact CE1-CB 3.93Å; F455-Q457 HydrophobicContact CE1-CG 3.49Å; F455-Q457 VanDerWaalsContact CE1-CG 3.49Å; F455-Q457 HydrophobicContact CE2-CB 4.38Å; F455-Q457 HydrophobicContact CZ-CB 3.75Å; F455-Q457 HydrophobicContact CZ-CG 3.84Å; F455-F462 HydrophobicContact CD1-CD1 4.33Å; F455-F462 AromaticContact CD1-CE1 3.9Å; F455-F462 HydrophobicContact CD1-CE1 3.9Å; F455-F462 AromaticContact CE1-CD1 3.85Å; F455-F462 HydrophobicContact CE1-CD1 3.85Å; F455-F462 AromaticContact CE1-CE1 3.72Å; F455-F462 HydrophobicContact CE1-CE1 3.72Å; F455-T465 CarbonylContact O-C 3.5Å; F455-T465 WeakPolarHBondContact O-CA 3.49Å; F455-L466 HydrophobicContact CB-CB 4.39Å; F455-L466 PolarHBondContact N-O 2.85Å; F455-L466 PolarHBondContact O-N 2.77Å
456R90.8Very high86.7Confident103 Ų10370.9 Ų70.939%0.38935%0.348SS..EExtended strand (participates in β ladder)trans-128134.1177-60.9-174.9168.6143.6-6.5109.9V431 E432 Q454 Q464 T465V431-R456 WeakPolarHBondContact CA-O 3.35Å; E432-R456 HydrophobicContact CB-CB 4.26Å; E432-R456 PolarHBondContact N-O 3.1Å; E432-R456 PolarHBondContact O-N 2.82Å; E432-R456 WeakPolarHBondContact OE2-CD 3.27Å; E432-R456 IonicContact OE2-CZ 2.65Å; E432-R456 IonicContact OE2-NH1 3.76Å; E432-R456 PolarHBondContact OE2-NH1 3.1Å; Q454-R456 HydrophobicContact CG-CG 4.4Å; Q454-R456 VanDerWaalsContact NE2-NH2 3.16Å; R456-Q464 VanDerWaalsContact CA-O 3.3Å; R456-Q464 WeakPolarHBondContact CA-O 3.29Å; R456-T465 HydrophobicContact CG-CG2 4.21Å
457Q88.1Confident87.1Confident12 Ų1271.4 Ų71.46%0.05635%0.351CS..  trans-154.4153.5-174.865.182.523.600112.3V431 F455 F459 F462 P463 Q464V431-Q457 HydrophobicContact CG2-CB 4.41Å; F455-Q457 HydrophobicContact CD1-CG 4.2Å; F455-Q457 HydrophobicContact CE1-CB 3.93Å; F455-Q457 HydrophobicContact CE1-CG 3.49Å; F455-Q457 VanDerWaalsContact CE1-CG 3.49Å; F455-Q457 HydrophobicContact CE2-CB 4.38Å; F455-Q457 HydrophobicContact CZ-CB 3.75Å; F455-Q457 HydrophobicContact CZ-CG 3.84Å; Q457-F459 HydrophobicContact CB-CD2 4.45Å; Q457-F459 PolarHBondContact NE2-O 3.31Å; Q457-F459 PolarHBondContact OE1-O 2.64Å; Q457-F462 HydrophobicContact CG-CD1 4.32Å; Q457-F462 VanDerWaalsContact NE2-C 3.33Å; Q457-F462 PolarHBondContact NE2-O 2.87Å; Q457-P463 PolarHBondContact NE2-O 2.83Å; Q457-Q464 PolarHBondContact N-O 2.86Å
458P84.6Confident87.3Confident57 Ų5771.5 Ų71.537%0.3736%0.356SS..  trans-97.90.1-171.237.5-32.1000114.9M429 E430M429-P458 HydrophobicContact CB-CG 4.25Å; E430-P458 WeakPolarHBondContact O-CD 3.33Å
459F82.8Confident87.5Confident126 Ų12673.2 Ų73.255%0.55336%0.36SS*.  trans-80.7140.9-179-46.1-69.2000112.3V431 Q457V431-F459 HydrophobicContact CG2-CE2 4.29Å; Q457-F459 HydrophobicContact CB-CD2 4.45Å; Q457-F459 PolarHBondContact NE2-O 3.31Å; Q457-F459 PolarHBondContact OE1-O 2.64Å
460Q77.5Confident87.7Confident182 Ų18274 Ų7485%0.8537%0.365SS*.THydrogen-bonded Turntrans-77.7-20.5-175.8-65.1-177.4-9.800114.2F462Q460-F462 VanDerWaalsContact C-N 3.29Å; Q460-F462 PolarHBondContact O-N 2.76Å
461N75.2Confident87.7Confident167 Ų16773.9 Ų73.989%0.89336%0.363SS*.THydrogen-bonded Turntrans-86.84.5-173.9-63.5-10.8000113.9
462F72.4Confident87.8Confident107 Ų10775.8 Ų75.847%0.46937%0.365SS..SBendtrans-142.3154.6-179.8-162.6-97.4000108.7F455 Q457 Q460 Q464F455-F462 HydrophobicContact CD1-CD1 4.33Å; F455-F462 AromaticContact CD1-CE1 3.9Å; F455-F462 HydrophobicContact CD1-CE1 3.9Å; F455-F462 AromaticContact CE1-CD1 3.85Å; F455-F462 HydrophobicContact CE1-CD1 3.85Å; F455-F462 AromaticContact CE1-CE1 3.72Å; F455-F462 HydrophobicContact CE1-CE1 3.72Å; Q457-F462 HydrophobicContact CG-CD1 4.32Å; Q457-F462 VanDerWaalsContact NE2-C 3.33Å; Q457-F462 PolarHBondContact NE2-O 2.87Å; Q460-F462 VanDerWaalsContact C-N 3.29Å; Q460-F462 PolarHBondContact O-N 2.76Å; F462-Q464 PolarHBondContact O-N 3.05Å
463P79.3Confident87.7Confident48 Ų4875.3 Ų75.331%0.31237%0.365SS..  trans-52.7128.4174.6-27.834.4000111.4Q457 T465 F489Q457-P463 PolarHBondContact NE2-O 2.83Å; P463-T465 PolarHBondContact O-N 2.81Å; P463-F489 HydrophobicContact CB-CD1 4.38Å; P463-F489 HydrophobicContact CG-CD1 4.2Å
464Q84.4Confident87.5Confident92 Ų9272.6 Ų72.643%0.4335%0.351SS..SBendtrans-62.1-32-179.3-69-177.2-1.200112R456 Q457 F462 H490R456-Q464 VanDerWaalsContact CA-O 3.3Å; R456-Q464 WeakPolarHBondContact CA-O 3.29Å; Q457-Q464 PolarHBondContact N-O 2.86Å; F462-Q464 PolarHBondContact O-N 3.05Å; Q464-H490 PolarHBondContact OE1-CE1 2.78Å
465T87.2Confident87.3Confident45 Ų4572.2 Ų72.228%0.27635%0.351SS..EExtended strand (participates in β ladder)trans-135129.617756.20000109.6F455 R456 P463 F489 H490F455-T465 CarbonylContact O-C 3.5Å; F455-T465 WeakPolarHBondContact O-CA 3.49Å; R456-T465 HydrophobicContact CG-CG2 4.21Å; P463-T465 PolarHBondContact O-N 2.81Å; T465-F489 CarbonylContact O-C 3.56Å; T465-F489 WeakPolarHBondContact O-CA 3.26Å; T465-H490 PolarHBondContact O-N 2.88Å; T465-H490 PolarHBondContact OG1-N 2.81Å
466L89.9Confident86.9Confident30 Ų3074 Ų7416%0.15736%0.362CS..EExtended strand (participates in β ladder)trans-128.4127.1172176.568.3000108.6Q454 F455 L468 G488 F489Q454-L466 CarbonylContact C-O 3.51Å; Q454-L466 WeakPolarHBondContact CA-O 3.5Å; F455-L466 HydrophobicContact CB-CB 4.39Å; F455-L466 PolarHBondContact N-O 2.85Å; F455-L466 PolarHBondContact O-N 2.77Å; L466-L468 HydrophobicContact CD1-CD2 4.06Å; L466-L468 HydrophobicContact CD1-CG 4.46Å; L466-L468 HydrophobicContact CD2-CD1 4.34Å; L466-L468 HydrophobicContact CD2-CG 4.34Å; L466-L468 HydrophobicContact CG-CD2 4.33Å; L466-L468 HydrophobicContact CG-CG 4.19Å; L466-G488 CarbonylContact C-O 3.53Å; L466-G488 WeakPolarHBondContact CA-O 3.01Å; L466-F489 HydrophobicContact CD1-CD1 3.8Å; L466-F489 HydrophobicContact CD1-CE1 3.54Å; L466-F489 HydrophobicContact CD1-CZ 4.16Å
467L92.3Very high86.5Confident55 Ų5572.6 Ų72.629%0.28837%0.372SS..EExtended strand (participates in β ladder)trans-121.7107.6178.1178.768.7000109Q452 L453 Q454 A487 G488Q452-L467 HydrophobicContact CG-CD1 3.61Å; L453-L467 CarbonylContact O-C 3.54Å; L453-L467 WeakPolarHBondContact O-CA 3.23Å; Q454-L467 HydrophobicContact CB-CD1 4.03Å; Q454-L467 HydrophobicContact CG-CD1 4.44Å; L467-A487 CarbonylContact O-C 3.57Å; L467-A487 VanDerWaalsContact O-CA 3.31Å; L467-A487 WeakPolarHBondContact O-CA 3.3Å; L467-G488 PolarHBondContact N-O 2.78Å; L467-G488 PolarHBondContact O-N 2.77Å
468L92.8Very high86.2Confident70 Ų7078.7 Ų78.737%0.36640%0.398SS..EExtended strand (participates in β ladder)trans-100.3131.4172.6-57.7176.1000108.8Q452 L453 L466 K486 A487Q452-L468 CarbonylContact C-O 3.58Å; Q452-L468 VanDerWaalsContact CA-O 3.23Å; Q452-L468 WeakPolarHBondContact CA-O 3.33Å; L453-L468 HydrophobicContact CB-CB 4.33Å; L453-L468 HydrophobicContact CD2-CD1 4.49Å; L453-L468 PolarHBondContact N-O 2.75Å; L453-L468 PolarHBondContact O-N 2.75Å; L466-L468 HydrophobicContact CD1-CD2 4.06Å; L466-L468 HydrophobicContact CD1-CG 4.46Å; L466-L468 HydrophobicContact CD2-CD1 4.34Å; L466-L468 HydrophobicContact CD2-CG 4.34Å; L466-L468 HydrophobicContact CG-CD2 4.33Å; L466-L468 HydrophobicContact CG-CG 4.19Å; L468-K486 CarbonylContact C-O 3.52Å; L468-K486 WeakPolarHBondContact CA-O 3.15Å; L468-A487 HydrophobicContact CD2-CB 3.62Å
469R93.8Very high86.2Confident94 Ų9476.8 Ų76.836%0.35539%0.389SS..EExtended strand (participates in β ladder)trans-135.7120.7175.8178.4177.5175.3174.9-1109.1A451 Q452 S485 K486A451-R469 CarbonylContact O-C 3.54Å; A451-R469 VanDerWaalsContact O-CA 3.29Å; A451-R469 WeakPolarHBondContact O-CA 3.27Å; Q452-R469 HydrophobicContact CG-CB 4.42Å; R469-S485 CarbonylContact O-C 3.56Å; R469-K486 HydrophobicContact CB-CB 4.31Å; R469-K486 PolarHBondContact N-O 3.29Å; R469-K486 PolarHBondContact O-N 2.85Å
470E93.8Very high86.5Confident113 Ų11373.1 Ų73.153%0.52838%0.375SS..EExtended strand (participates in β ladder)trans-111.5127173.5-69.7-175.6175.200109.3A450 A451 E484A450-E470 CarbonylContact C-O 3.59Å; A450-E470 VanDerWaalsContact CA-O 3.3Å; A450-E470 WeakPolarHBondContact CA-O 3.34Å; A451-E470 PolarHBondContact N-O 2.8Å; A451-E470 PolarHBondContact O-N 2.81Å; E470-E484 CarbonylContact C-O 3.53Å; E470-E484 VanDerWaalsContact CA-O 3.27Å; E470-E484 WeakPolarHBondContact CA-O 3.29Å
471T93.5Very high87.1Confident5 Ų568.2 Ų68.23%0.03135%0.349CS..EExtended strand (participates in β ladder)trans-124.7111.9178.2-50.90000108.9Q448 A450 E484Q448-T471 HydrophobicContact CG-CG2 4.01Å; A450-T471 HydrophobicContact CB-CG2 4.37Å; T471-E484 PolarHBondContact N-O 3.13Å; T471-E484 PolarHBondContact O-N 2.77Å
472F92.9Very high87.9Confident77 Ų7762.5 Ų62.534%0.33832%0.319SS..EExtended strand (participates in β ladder)trans-99.8122.2172.4-178.4-112.5000110.2Y447 Q448 K449 V474 Y481 I482 L483Y447-F472 HydrophobicContact CD1-CD1 4.45Å; Y447-F472 HydrophobicContact CE1-CD1 4.19Å; Q448-F472 CarbonylContact C-O 3.57Å; Q448-F472 WeakPolarHBondContact CA-O 3.44Å; K449-F472 PolarHBondContact N-O 2.9Å; K449-F472 PolarHBondContact O-N 2.66Å; F472-V474 HydrophobicContact CD1-CG2 4.18Å; F472-V474 HydrophobicContact CE1-CG2 3.4Å; F472-V474 HydrophobicContact CZ-CG2 3.68Å; F472-Y481 AromaticContact CZ-CD1 3.95Å; F472-Y481 HydrophobicContact CZ-CD1 3.95Å; F472-I482 CarbonylContact C-O 3.53Å; F472-I482 WeakPolarHBondContact CA-O 3.39Å; F472-L483 HydrophobicContact CB-CD1 4.26Å; F472-L483 HydrophobicContact CD2-CB 4.32Å; F472-L483 HydrophobicContact CD2-CD1 4.43Å
473T91.4Very high88.9Confident30 Ų3060.1 Ų60.118%0.18431%0.31CS..EExtended strand (participates in β ladder)trans-124.8131.5-178-51.50000109.9Y447 Y481 I482Y447-T473 CarbonylContact O-C 3.53Å; Y447-T473 WeakPolarHBondContact O-CA 3.45Å; T473-Y481 CarbonylContact O-C 3.43Å; T473-Y481 WeakPolarHBondContact O-CA 3.29Å; T473-I482 PolarHBondContact N-O 2.94Å; T473-I482 PolarHBondContact O-N 3.36Å
474V90.1Very high89.6Confident17 Ų1761.1 Ų61.110%0.10331%0.311CS..EExtended strand (participates in β ladder)trans-114.6115.9172.6-175.50000107.8M446 Y447 F472 L476 Y481M446-V474 WeakPolarHBondContact CA-O 3.43Å; Y447-V474 HydrophobicContact CD1-CG2 4.08Å; Y447-V474 PolarHBondContact N-O 3.02Å; Y447-V474 PolarHBondContact O-N 2.84Å; F472-V474 HydrophobicContact CD1-CG2 4.18Å; F472-V474 HydrophobicContact CE1-CG2 3.4Å; F472-V474 HydrophobicContact CZ-CG2 3.68Å; V474-L476 HydrophobicContact CG1-CD2 3.84Å; V474-L476 HydrophobicContact CG1-CG 4.05Å; V474-Y481 HydrophobicContact CB-CD1 4.27Å; V474-Y481 HydrophobicContact CB-CE1 4.31Å; V474-Y481 HydrophobicContact CG1-CD1 3.87Å; V474-Y481 HydrophobicContact CG1-CE1 3.52Å; V474-Y481 HydrophobicContact CG2-CD1 3.68Å; V474-Y481 HydrophobicContact CG2-CE1 3.89Å
475D88.3Confident90.1Very high33 Ų3358.2 Ų58.218%0.17630%0.301CS..EExtended strand (participates in β ladder)trans-115.494.1173.9-175-16.9000108.8A477 K478 G479 L480D475-A477 PolarHBondContact O-N 3.18Å; D475-A477 WeakPolarHBondContact OD1-CA 3.32Å; D475-A477 WeakPolarHBondContact OD1-CB 3.39Å; D475-A477 PolarHBondContact OD1-N 2.82Å; D475-K478 HydrophobicContact CB-CB 4.42Å; D475-K478 PolarHBondContact O-N 2.75Å; D475-K478 PolarHBondContact OD1-N 2.81Å; D475-K478 VanDerWaalsContact OD2-CD 3.22Å; D475-K478 WeakPolarHBondContact OD2-CD 3.32Å; D475-K478 WeakPolarHBondContact OD2-CE 3.3Å; D475-K478 WeakPolarHBondContact OD2-CG 3.34Å; D475-G479 WeakPolarHBondContact O-CA 3.31Å; D475-G479 PolarHBondContact O-N 2.87Å; D475-L480 PolarHBondContact N-O 3.38Å; D475-L480 PolarHBondContact O-N 3.35Å
476L83.9Confident90.3Very high91 Ų9158.8 Ų58.848%0.47630%0.299SS..THydrogen-bonded Turntrans-71.5-17.9178.8-61.8178000112.7K445 V474K445-L476 HydrophobicContact CB-CB 4.37Å; K445-L476 WeakPolarHBondContact O-CB 3.25Å; K445-L476 PolarHBondContact O-N 3.35Å; V474-L476 HydrophobicContact CG1-CD2 3.84Å; V474-L476 HydrophobicContact CG1-CG 4.05Å
477A83.1Confident90.4Very high73 Ų7358.2 Ų58.260%0.60330%0.299SS*.THydrogen-bonded Turntrans-73.1-36.1175.100000110.9K445 D475K445-A477 HydrophobicContact CD-CB 4.46Å; D475-A477 PolarHBondContact O-N 3.18Å; D475-A477 WeakPolarHBondContact OD1-CA 3.32Å; D475-A477 WeakPolarHBondContact OD1-CB 3.39Å; D475-A477 PolarHBondContact OD1-N 2.82Å
478K82.3Confident90.2Very high140 Ų14056.1 Ų56.161%0.60929%0.291SS*.THydrogen-bonded Turntrans-91.3-13.5174.2-61.9-176.7-171.2174.40113.6D475 L480D475-K478 HydrophobicContact CB-CB 4.42Å; D475-K478 PolarHBondContact O-N 2.75Å; D475-K478 PolarHBondContact OD1-N 2.81Å; D475-K478 VanDerWaalsContact OD2-CD 3.22Å; D475-K478 WeakPolarHBondContact OD2-CD 3.32Å; D475-K478 WeakPolarHBondContact OD2-CE 3.3Å; D475-K478 WeakPolarHBondContact OD2-CG 3.34Å; K478-L480 HydrophobicContact CB-CB 4.47Å; K478-L480 HydrophobicContact CB-CD1 3.77Å; K478-L480 HydrophobicContact CB-CG 3.89Å; K478-L480 HydrophobicContact CD-CD1 4.22Å
479G84.3Confident89.9Confident17 Ų1755.9 Ų55.918%0.17529%0.287CS..THydrogen-bonded Turntrans70.834.6-176.200000112.7D475 G502 Y503D475-G479 WeakPolarHBondContact O-CA 3.31Å; D475-G479 PolarHBondContact O-N 2.87Å; G479-G502 WeakPolarHBondContact O-CA 3.49Å; G479-Y503 PolarHBondContact O-N 3.48Å
480L88Confident89.2Confident49 Ų4954.9 Ų54.926%0.25729%0.286SS..EExtended strand (participates in β ladder)trans-118.2141-172.8-62.7175000111.8D475 K478 I482 T500 L501D475-L480 PolarHBondContact N-O 3.38Å; D475-L480 PolarHBondContact O-N 3.35Å; K478-L480 HydrophobicContact CB-CB 4.47Å; K478-L480 HydrophobicContact CB-CD1 3.77Å; K478-L480 HydrophobicContact CB-CG 3.89Å; K478-L480 HydrophobicContact CD-CD1 4.22Å; L480-I482 HydrophobicContact CB-CG1 4.45Å; L480-T500 HydrophobicContact CD2-CG2 4.11Å; L480-L501 CarbonylContact C-O 3.51Å; L480-L501 WeakPolarHBondContact CA-O 3.47Å
481Y90.4Very high88.3Confident79 Ų7955.2 Ų55.231%0.3129%0.292SS..EExtended strand (participates in β ladder)trans-118.5124.7165.5-61.6-99.7000107.6F472 T473 V474 T500 L501F472-Y481 AromaticContact CZ-CD1 3.95Å; F472-Y481 HydrophobicContact CZ-CD1 3.95Å; T473-Y481 CarbonylContact O-C 3.43Å; T473-Y481 WeakPolarHBondContact O-CA 3.29Å; V474-Y481 HydrophobicContact CB-CD1 4.27Å; V474-Y481 HydrophobicContact CB-CE1 4.31Å; V474-Y481 HydrophobicContact CG1-CD1 3.87Å; V474-Y481 HydrophobicContact CG1-CE1 3.52Å; V474-Y481 HydrophobicContact CG2-CD1 3.68Å; V474-Y481 HydrophobicContact CG2-CE1 3.89Å; Y481-T500 CarbonylContact O-C 3.52Å; Y481-T500 WeakPolarHBondContact O-CA 3.32Å; Y481-L501 HydrophobicContact CD2-CD2 4.15Å; Y481-L501 HydrophobicContact CD2-CG 4.44Å; Y481-L501 HydrophobicContact CG-CD2 4.46Å; Y481-L501 PolarHBondContact N-O 2.99Å; Y481-L501 PolarHBondContact O-N 2.88Å
482I92Very high87.3Confident48 Ų4862.5 Ų62.525%0.24633%0.33CS..EExtended strand (participates in β ladder)trans-124.8123.9-175-56171.6000107.9F472 T473 L480 T498 L499 T500F472-I482 CarbonylContact C-O 3.53Å; F472-I482 WeakPolarHBondContact CA-O 3.39Å; T473-I482 PolarHBondContact N-O 2.94Å; T473-I482 PolarHBondContact O-N 3.36Å; L480-I482 HydrophobicContact CB-CG1 4.45Å; I482-T498 HydrophobicContact CG2-CG2 3.84Å; I482-L499 CarbonylContact C-O 3.55Å; I482-L499 WeakPolarHBondContact CA-O 3.39Å; I482-T500 HydrophobicContact CG1-CG2 4.19Å
483L93.6Very high86.8Confident57 Ų5763.1 Ų63.130%0.29833%0.333SS..EExtended strand (participates in β ladder)trans-112.4109.1168.6177.566.4000108.4F472 T498 L499F472-L483 HydrophobicContact CB-CD1 4.26Å; F472-L483 HydrophobicContact CD2-CB 4.32Å; F472-L483 HydrophobicContact CD2-CD1 4.43Å; L483-T498 WeakPolarHBondContact O-CA 3.48Å; L483-L499 HydrophobicContact CB-CB 4.34Å; L483-L499 PolarHBondContact N-O 2.78Å; L483-L499 PolarHBondContact O-N 3.35Å
484E94.7Very high86.7Confident68 Ų6864.6 Ų64.632%0.31834%0.338SS..EExtended strand (participates in β ladder)trans-102.3120.1175.6-177.7-172.486.900109.4E470 T471 I496 H497E470-E484 CarbonylContact C-O 3.53Å; E470-E484 VanDerWaalsContact CA-O 3.27Å; E470-E484 WeakPolarHBondContact CA-O 3.29Å; T471-E484 PolarHBondContact N-O 3.13Å; T471-E484 PolarHBondContact O-N 2.77Å; E484-I496 HydrophobicContact CG-CG2 4.06Å; E484-H497 CarbonylContact C-O 3.5Å; E484-H497 WeakPolarHBondContact CA-O 3.32Å
485S93.1Very high86.7Confident31 Ų3165.5 Ų65.522%0.21734%0.343CS..EExtended strand (participates in β ladder)trans-114.2108.8176.9-51.70000109.1R469 H497R469-S485 CarbonylContact O-C 3.56Å; S485-H497 PolarHBondContact N-O 2.87Å; S485-H497 PolarHBondContact O-N 2.8Å
486K93.1Very high86.8Confident57 Ų5765.3 Ų65.325%0.24834%0.342CS..EExtended strand (participates in β ladder)trans-109.2126.5-179175.2166.5-176.8154.60110.4L468 R469 E494 V495 I496L468-K486 CarbonylContact C-O 3.52Å; L468-K486 WeakPolarHBondContact CA-O 3.15Å; R469-K486 HydrophobicContact CB-CB 4.31Å; R469-K486 PolarHBondContact N-O 3.29Å; R469-K486 PolarHBondContact O-N 2.85Å; K486-E494 WeakPolarHBondContact CE-OE2 3.35Å; K486-E494 IonicContact NZ-OE1 2.64Å; K486-E494 IonicContact NZ-OE2 2.88Å; K486-E494 PolarHBondContact NZ-OE2 2.83Å; K486-V495 CarbonylContact C-O 3.56Å; K486-V495 WeakPolarHBondContact CA-O 3.37Å; K486-I496 HydrophobicContact CB-CG1 4.3Å; K486-I496 HydrophobicContact CD-CD1 4.23Å; K486-I496 HydrophobicContact CD-CG1 4.11Å; K486-I496 HydrophobicContact CG-CG1 4Å
487A90.8Very high87.2Confident18 Ų1863.8 Ų63.815%0.14933%0.332CS..EExtended strand (participates in β ladder)trans-119111.2173.600000109.9L467 L468 F489 E494 V495L467-A487 CarbonylContact O-C 3.57Å; L467-A487 VanDerWaalsContact O-CA 3.31Å; L467-A487 WeakPolarHBondContact O-CA 3.3Å; L468-A487 HydrophobicContact CD2-CB 3.62Å; A487-F489 HydrophobicContact CB-CE2 3.99Å; A487-F489 HydrophobicContact CB-CZ 4.14Å; A487-E494 CarbonylContact O-C 3.5Å; A487-E494 VanDerWaalsContact O-CA 3.3Å; A487-E494 WeakPolarHBondContact O-CA 3.47Å; A487-V495 HydrophobicContact CB-CB 4.47Å; A487-V495 PolarHBondContact N-O 2.92Å; A487-V495 PolarHBondContact O-N 3.48Å
488G89.6Confident87.7Confident12 Ų1261.7 Ų61.712%0.12431%0.312CS..EExtended strand (participates in β ladder)trans-100141.6173.600000111.7L466 L467 K493L466-G488 CarbonylContact C-O 3.53Å; L466-G488 WeakPolarHBondContact CA-O 3.01Å; L467-G488 PolarHBondContact N-O 2.78Å; L467-G488 PolarHBondContact O-N 2.77Å; G488-K493 CarbonylContact C-O 3.51Å; G488-K493 WeakPolarHBondContact CA-O 3.34Å
489F86Confident88.2Confident64 Ų6458.2 Ų58.228%0.28130%0.299SS..  trans-122.1179.8-178.5-57.8-91.1000110.6P463 T465 L466 A487 K493 V495 F518P463-F489 HydrophobicContact CB-CD1 4.38Å; P463-F489 HydrophobicContact CG-CD1 4.2Å; T465-F489 CarbonylContact O-C 3.56Å; T465-F489 WeakPolarHBondContact O-CA 3.26Å; L466-F489 HydrophobicContact CD1-CD1 3.8Å; L466-F489 HydrophobicContact CD1-CE1 3.54Å; L466-F489 HydrophobicContact CD1-CZ 4.16Å; A487-F489 HydrophobicContact CB-CE2 3.99Å; A487-F489 HydrophobicContact CB-CZ 4.14Å; F489-K493 HydrophobicContact CB-CB 4.24Å; F489-K493 PolarHBondContact N-O 2.88Å; F489-V495 HydrophobicContact CE2-CG2 4.12Å; F489-F518 HydrophobicContact CD2-CE2 4.44Å; F489-F518 AromaticContact CD2-CZ 3.73Å; F489-F518 HydrophobicContact CD2-CZ 3.73Å; F489-F518 HydrophobicContact CE2-CE2 4.38Å; F489-F518 AromaticContact CE2-CZ 3.81Å; F489-F518 HydrophobicContact CE2-CZ 3.81Å
490H78.4Confident88.5Confident73 Ų7359 Ų5934%0.33830%0.301SS..G310 helixtrans-58.5153.6168.5-159.369.9000111Q464 T465Q464-H490 PolarHBondContact OE1-CE1 2.78Å; T465-H490 PolarHBondContact O-N 2.88Å; T465-H490 PolarHBondContact OG1-N 2.81Å
491D74.1Confident88.6Confident120 Ų12060 Ų6064%0.64231%0.307SS*.G310 helixtrans6531.6-179.2-50.6-40.6000116.5K493D491-K493 PolarHBondContact O-N 3.09Å; D491-K493 VanDerWaalsContact O-N 3.1Å
492N72.8Confident88.4Confident158 Ų15856.6 Ų56.685%0.84530%0.295SS*.G310 helixtrans58.719.8-179.7-68.2-14000114.8
493K83.9Confident87.7Confident90 Ų9061.8 Ų61.839%0.39131%0.313SS..  trans-74.3132.3171.8-68.9178.2-177.7172.50110G488 F489 D491 T517 F518G488-K493 CarbonylContact C-O 3.51Å; G488-K493 WeakPolarHBondContact CA-O 3.34Å; F489-K493 HydrophobicContact CB-CB 4.24Å; F489-K493 PolarHBondContact N-O 2.88Å; D491-K493 PolarHBondContact O-N 3.09Å; D491-K493 VanDerWaalsContact O-N 3.1Å; K493-T517 VanDerWaalsContact CA-OG1 3.29Å; K493-T517 WeakPolarHBondContact CA-OG1 3.48Å; K493-F518 HydrophobicContact CB-CE1 4.3Å; K493-F518 HydrophobicContact CB-CE2 4.43Å; K493-F518 HydrophobicContact CB-CZ 4.06Å; K493-F518 HydrophobicContact CD-CD1 4.18Å; K493-F518 HydrophobicContact CD-CE1 3.99Å
494E88.6Confident86.6Confident62 Ų6266.3 Ų66.329%0.2933%0.33SS..EExtended strand (participates in β ladder)trans-138.6149.7178.463.7178.1-163.100112.1K486 A487 H516 T517K486-E494 WeakPolarHBondContact CE-OE2 3.35Å; K486-E494 IonicContact NZ-OE1 2.64Å; K486-E494 IonicContact NZ-OE2 2.88Å; K486-E494 PolarHBondContact NZ-OE2 2.83Å; A487-E494 CarbonylContact O-C 3.5Å; A487-E494 VanDerWaalsContact O-CA 3.3Å; A487-E494 WeakPolarHBondContact O-CA 3.47Å; E494-H516 VanDerWaalsContact O-CA 3.25Å; E494-H516 WeakPolarHBondContact O-CA 3.41Å; E494-T517 HydrophobicContact CG-CG2 3.97Å; E494-T517 PolarHBondContact N-OG1 2.93Å; E494-T517 PolarHBondContact O-N 2.9Å
495V89.3Confident85.2Confident35 Ų3568 Ų6821%0.21235%0.346CS..EExtended strand (participates in β ladder)trans-122.8131167.8-175.90000107.2K486 A487 F489 L514 I515 H516 F518K486-V495 CarbonylContact C-O 3.56Å; K486-V495 WeakPolarHBondContact CA-O 3.37Å; A487-V495 HydrophobicContact CB-CB 4.47Å; A487-V495 PolarHBondContact N-O 2.92Å; A487-V495 PolarHBondContact O-N 3.48Å; F489-V495 HydrophobicContact CE2-CG2 4.12Å; V495-L514 HydrophobicContact CG1-CD1 3.51Å; V495-I515 CarbonylContact C-O 3.58Å; V495-I515 WeakPolarHBondContact CA-O 3.44Å; V495-H516 HydrophobicContact CB-CB 4.47Å; V495-H516 HydrophobicContact CG1-CB 4.45Å; V495-H516 HydrophobicContact CG2-CB 4.12Å; V495-F518 HydrophobicContact CG2-CD2 4.06Å; V495-F518 HydrophobicContact CG2-CE2 3.3Å; V495-F518 HydrophobicContact CG2-CZ 4.08Å
496I91.3Very high83.9Confident29 Ų2971.3 Ų71.315%0.14937%0.367CS..EExtended strand (participates in β ladder)trans-123.6120174-56.3174.6000107.3E484 K486 L514 I515E484-I496 HydrophobicContact CG-CG2 4.06Å; K486-I496 HydrophobicContact CB-CG1 4.3Å; K486-I496 HydrophobicContact CD-CD1 4.23Å; K486-I496 HydrophobicContact CD-CG1 4.11Å; K486-I496 HydrophobicContact CG-CG1 4Å; I496-L514 WeakPolarHBondContact O-CA 3.46Å; I496-I515 PolarHBondContact N-O 2.05Å; I496-I515 PolarHBondContact O-N 2.82Å
497H92.7Very high82.9Confident60 Ų6071.2 Ų71.228%0.27837%0.374SS..EExtended strand (participates in β ladder)trans-109.5127.3171.3178-114.4000109.1E484 S485 S512 A513 L514E484-H497 CarbonylContact C-O 3.5Å; E484-H497 WeakPolarHBondContact CA-O 3.32Å; S485-H497 PolarHBondContact N-O 2.87Å; S485-H497 PolarHBondContact O-N 2.8Å; H497-S512 PolarHBondContact NE2-OG 2.85Å; H497-A513 CarbonylContact C-O 3.55Å; H497-A513 VanDerWaalsContact CA-O 3.29Å; H497-A513 WeakPolarHBondContact CA-O 3.32Å; H497-A513 PolarHBondContact CD2-O 2.96Å; H497-L514 HydrophobicContact CB-CD1 4Å
498T92.5Very high82.5Confident29 Ų2972.7 Ų72.718%0.17838%0.382CS..EExtended strand (participates in β ladder)trans-123.1116-179.9-52.30000109.5I482 L483 S512 A513I482-T498 HydrophobicContact CG2-CG2 3.84Å; L483-T498 WeakPolarHBondContact O-CA 3.48Å; T498-S512 WeakPolarHBondContact O-CA 3.33Å; T498-A513 PolarHBondContact N-O 2.79Å; T498-A513 PolarHBondContact O-N 3.43Å
499L92.6Very high82.3Confident66 Ų6673.6 Ų73.635%0.34639%0.386SS..EExtended strand (participates in β ladder)trans-102.7114.5172.1-177.171.5000109.2I482 L483 V510 C511I482-L499 CarbonylContact C-O 3.55Å; I482-L499 WeakPolarHBondContact CA-O 3.39Å; L483-L499 HydrophobicContact CB-CB 4.34Å; L483-L499 PolarHBondContact N-O 2.78Å; L483-L499 PolarHBondContact O-N 3.35Å; L499-V510 HydrophobicContact CD1-CG1 3.88Å; L499-C511 CarbonylContact C-O 3.48Å; L499-C511 WeakPolarHBondContact CA-O 3.48Å
500T91Very high82.5Confident33 Ų3373.9 Ų73.920%0.20239%0.393CS..EExtended strand (participates in β ladder)trans-111.8122.5179-590000110.2L480 Y481 I482 V510 C511L480-T500 HydrophobicContact CD2-CG2 4.11Å; Y481-T500 CarbonylContact O-C 3.52Å; Y481-T500 WeakPolarHBondContact O-CA 3.32Å; I482-T500 HydrophobicContact CG1-CG2 4.19Å; T500-V510 CarbonylContact O-C 3.59Å; T500-V510 WeakPolarHBondContact O-CA 3.33Å; T500-C511 PolarHBondContact N-O 3.44Å; T500-C511 PolarHBondContact O-N 3.5Å
501L90.2Very high83Confident72 Ų7271.4 Ų71.438%0.37738%0.384SS..EExtended strand (participates in β ladder)trans-109112.8171.4169.474.3000109.1L480 Y481 S509 V510L480-L501 CarbonylContact C-O 3.51Å; L480-L501 WeakPolarHBondContact CA-O 3.47Å; Y481-L501 HydrophobicContact CD2-CD2 4.15Å; Y481-L501 HydrophobicContact CD2-CG 4.44Å; Y481-L501 HydrophobicContact CG-CD2 4.46Å; Y481-L501 PolarHBondContact N-O 2.99Å; Y481-L501 PolarHBondContact O-N 2.88Å; L501-S509 CarbonylContact C-O 3.49Å; L501-S509 WeakPolarHBondContact CA-O 3.35Å; L501-V510 HydrophobicContact CD1-CG2 3.66Å
502G87.3Confident83.8Confident6 Ų667.8 Ų67.86%0.06237%0.368CS..EExtended strand (participates in β ladder)trans-92.1127.8169.100000111G479 P508 S509G479-G502 WeakPolarHBondContact O-CA 3.49Å; G502-P508 CarbonylContact O-C 3.47Å; G502-P508 WeakPolarHBondContact O-CA 3.45Å; G502-P508 WeakPolarHBondContact O-CB 3.44Å; G502-S509 PolarHBondContact N-O 2.81Å; G502-S509 PolarHBondContact O-N 2.83Å
503Y76.6Confident84.6Confident158 Ų15861 Ų6162%0.6233%0.334SS*.  trans-111.614.6179.6-176.8-104.3000113G479 P505G479-Y503 PolarHBondContact O-N 3.48Å; Y503-P505 WeakPolarHBondContact O-CD 3.4Å; Y503-P505 VanDerWaalsContact O-N 3.13Å
504K71Confident84.9Confident151 Ų15159.6 Ų59.666%0.65733%0.33SS*.  trans-68.2112.8-178.3-156.8173.6-176.8-178.90110.1S507K504-S507 PolarHBondContact O-N 2.82Å
505P65.6Low84.9Confident103 Ų10360.5 Ų60.567%0.66934%0.336SS*.THydrogen-bonded Turntrans-63.9146.6178.6-18.633.1000110.5Y503Y503-P505 WeakPolarHBondContact O-CD 3.4Å; Y503-P505 VanDerWaalsContact O-N 3.13Å
506P64.1Low84.7Confident102 Ų10259.7 Ų59.766%0.66233%0.33SS*.THydrogen-bonded Turncis-94.38.37.236.7-35.4000115.8
507S73Confident84.5Confident54 Ų5462 Ų6238%0.37835%0.345SS..  trans-127.680.7-169.859.30000112.9K504 A533K504-S507 PolarHBondContact O-N 2.82Å; S507-A533 WeakPolarHBondContact CA-O 3.02Å
508P82.3Confident83.9Confident50 Ų5061.1 Ų61.133%0.32534%0.341SS..  trans-62.3143.9171.826-34.7000111.6G502 T532 A533G502-P508 CarbonylContact O-C 3.47Å; G502-P508 WeakPolarHBondContact O-CA 3.45Å; G502-P508 WeakPolarHBondContact O-CB 3.44Å; P508-T532 WeakPolarHBondContact O-CA 3.47Å; P508-A533 VanDerWaalsContact CD-O 3.25Å; P508-A533 WeakPolarHBondContact CD-O 3.06Å; P508-A533 HydrophobicContact CG-CB 4.25Å; P508-A533 PolarHBondContact O-N 2.8Å
509S85.9Confident83.2Confident31 Ų3162.7 Ų62.722%0.21735%0.353CS..EExtended strand (participates in β ladder)trans-131.5146.3179.662.50000111.9L501 G502 V531L501-S509 CarbonylContact C-O 3.49Å; L501-S509 WeakPolarHBondContact CA-O 3.35Å; G502-S509 PolarHBondContact N-O 2.81Å; G502-S509 PolarHBondContact O-N 2.83Å; S509-V531 CarbonylContact C-O 3.59Å; S509-V531 WeakPolarHBondContact CA-O 3.49Å
510V88.9Confident82.1Confident69 Ų6966.5 Ų66.542%0.41837%0.367SS..EExtended strand (participates in β ladder)trans-124.9117.7171.5-178.70000107.8L499 T500 L501 C530 V531L499-V510 HydrophobicContact CD1-CG1 3.88Å; T500-V510 CarbonylContact O-C 3.59Å; T500-V510 WeakPolarHBondContact O-CA 3.33Å; L501-V510 HydrophobicContact CD1-CG2 3.66Å; V510-C530 CarbonylContact O-C 3.55Å; V510-C530 WeakPolarHBondContact O-CA 3.34Å; V510-V531 PolarHBondContact N-O 3.39Å; V510-V531 PolarHBondContact O-N 2.78Å
511C89.1Confident81.2Confident21 Ų2172.2 Ų72.214%0.14240%0.396CS..EExtended strand (participates in β ladder)trans-115.9135.2176.2-67.10000110L499 T500 V529 C530L499-C511 CarbonylContact C-O 3.48Å; L499-C511 WeakPolarHBondContact CA-O 3.48Å; T500-C511 PolarHBondContact N-O 3.44Å; T500-C511 PolarHBondContact O-N 3.5Å; C511-V529 CarbonylContact C-O 3.53Å; C511-V529 WeakPolarHBondContact CA-O 3.22Å; C511-C530 HydrophobicContact CB-CB 4.16Å; C511-C530 WeakPolarHBondContact CB-SG 3.48Å; C511-C530 WeakPolarHBondContact SG-CB 3.35Å; C511-C530 CovalentContact SG-SG 2.05Å; C511-C530 PolarHBondContact SG-SG 3.49Å
512S90.6Very high80.2Confident44 Ų4473.9 Ų73.931%0.30841%0.41SS..EExtended strand (participates in β ladder)trans-123.4114.4173.9172.70000108.3H497 T498 E528 V529H497-S512 PolarHBondContact NE2-OG 2.85Å; T498-S512 WeakPolarHBondContact O-CA 3.33Å; S512-E528 WeakPolarHBondContact O-CA 3.48Å; S512-V529 PolarHBondContact N-O 3.08Å; S512-V529 PolarHBondContact O-N 2.83Å
513A90.7Very high79.4Confident16 Ų1678.4 Ų78.413%0.13243%0.428CS..EExtended strand (participates in β ladder)trans-110.8139175.900000110.5H497 T498 S527 E528H497-A513 CarbonylContact C-O 3.55Å; H497-A513 VanDerWaalsContact CA-O 3.29Å; H497-A513 WeakPolarHBondContact CA-O 3.32Å; H497-A513 PolarHBondContact CD2-O 2.96Å; T498-A513 PolarHBondContact N-O 2.79Å; T498-A513 PolarHBondContact O-N 3.43Å; A513-S527 CarbonylContact C-O 3.55Å; A513-S527 VanDerWaalsContact CA-O 3.31Å; A513-S527 WeakPolarHBondContact CA-O 3.1Å; A513-E528 HydrophobicContact CB-CB 4.23Å; A513-E528 HydrophobicContact CB-CG 4.09Å
514L89Confident79.3Confident61 Ų6175.8 Ų75.832%0.31943%0.43SS..EExtended strand (participates in β ladder)trans-127120.4173.7-176.370.8000108.8V495 I496 H497 D526 S527V495-L514 HydrophobicContact CG1-CD1 3.51Å; I496-L514 WeakPolarHBondContact O-CA 3.46Å; H497-L514 HydrophobicContact CB-CD1 4Å; L514-D526 WeakPolarHBondContact O-CA 3.41Å; L514-S527 PolarHBondContact N-O 2.83Å; L514-S527 PolarHBondContact O-N 2.78Å
515I88.8Confident79.6Confident81 Ų8170.6 Ų70.642%0.41541%0.413SS..EExtended strand (participates in β ladder)trans-122.1134.9-179.7-62.4170.3000108.5V495 I496 D526V495-I515 CarbonylContact C-O 3.58Å; V495-I515 WeakPolarHBondContact CA-O 3.44Å; I496-I515 PolarHBondContact N-O 2.05Å; I496-I515 PolarHBondContact O-N 2.82Å; I515-D526 WeakPolarHBondContact CA-OD1 3.25Å; I515-D526 HydrophobicContact CG1-CB 4.47Å
516H86.5Confident80.4Confident18 Ų1868.3 Ų68.38%0.08340%0.395CS..EExtended strand (participates in β ladder)trans-152.5157.6179.57448.7000115.4E494 V495 F518 F523 P524 D526E494-H516 VanDerWaalsContact O-CA 3.25Å; E494-H516 WeakPolarHBondContact O-CA 3.41Å; V495-H516 HydrophobicContact CB-CB 4.47Å; V495-H516 HydrophobicContact CG1-CB 4.45Å; V495-H516 HydrophobicContact CG2-CB 4.12Å; H516-F518 HydrophobicContact CB-CD2 3.89Å; H516-F518 HydrophobicContact CB-CE2 4.45Å; H516-F518 PolarHBondContact ND1-N 2.66Å; H516-F523 VanDerWaalsContact NE2-CB 3.32Å; H516-F523 WeakPolarHBondContact NE2-CB 3.48Å; H516-P524 PolarHBondContact CE1-O 2.8Å; H516-P524 PolarHBondContact NE2-O 2.92Å; H516-D526 PolarHBondContact N-OD1 2.82Å
517T85.3Confident81.4Confident76 Ų7665.7 Ų65.747%0.46638%0.379SS..  trans-103.218.4179.8590000114.6K493 E494K493-T517 VanDerWaalsContact CA-OG1 3.29Å; K493-T517 WeakPolarHBondContact CA-OG1 3.48Å; E494-T517 HydrophobicContact CG-CG2 3.97Å; E494-T517 PolarHBondContact N-OG1 2.93Å; E494-T517 PolarHBondContact O-N 2.9Å
518F81.1Confident82Confident43 Ų4367.1 Ų67.119%0.18938%0.38CS..SBendtrans-78.1158.5176.9-64.1-97.4000112F489 K493 V495 H516 F520 F523F489-F518 HydrophobicContact CD2-CE2 4.44Å; F489-F518 AromaticContact CD2-CZ 3.73Å; F489-F518 HydrophobicContact CD2-CZ 3.73Å; F489-F518 HydrophobicContact CE2-CE2 4.38Å; F489-F518 AromaticContact CE2-CZ 3.81Å; F489-F518 HydrophobicContact CE2-CZ 3.81Å; K493-F518 HydrophobicContact CB-CE1 4.3Å; K493-F518 HydrophobicContact CB-CE2 4.43Å; K493-F518 HydrophobicContact CB-CZ 4.06Å; K493-F518 HydrophobicContact CD-CD1 4.18Å; K493-F518 HydrophobicContact CD-CE1 3.99Å; V495-F518 HydrophobicContact CG2-CD2 4.06Å; V495-F518 HydrophobicContact CG2-CE2 3.3Å; V495-F518 HydrophobicContact CG2-CZ 4.08Å; H516-F518 HydrophobicContact CB-CD2 3.89Å; H516-F518 HydrophobicContact CB-CE2 4.45Å; H516-F518 PolarHBondContact ND1-N 2.66Å; F518-F520 PolarHBondContact O-N 3Å; F518-F523 HydrophobicContact CB-CD2 3.62Å; F518-F523 HydrophobicContact CB-CE2 4.2Å; F518-F523 HydrophobicContact CB-CG 4.34Å; F518-F523 HydrophobicContact CD1-CD2 4.4Å; F518-F523 HydrophobicContact CD1-CE2 4.11Å; F518-F523 HydrophobicContact CG-CD2 4.12Å; F518-F523 HydrophobicContact CG-CE2 4.26Å
519S76.9Confident82.2Confident61 Ų6167.3 Ų67.343%0.42738%0.38SS..  trans-60.2133177.9-177.60000111.2D521 T522 F523S519-D521 PolarHBondContact O-N 2.94Å; S519-D521 VanDerWaalsContact O-N 3.14Å; S519-D521 PolarHBondContact OG-N 2.89Å; S519-D521 PolarHBondContact OG-OD2 2.86Å; S519-T522 PolarHBondContact O-N 3.16Å; S519-T522 VanDerWaalsContact O-N 3.08Å; S519-F523 PolarHBondContact O-N 2.93Å
520F70.6Confident82.1Confident146 Ų14667.3 Ų67.364%0.6438%0.38SS*.THydrogen-bonded Turntrans-62.4-15.2174.6-60.3-69.1000113.2F518 T522 F523F518-F520 PolarHBondContact O-N 3Å; F520-T522 PolarHBondContact O-N 2.78Å; F520-F523 WeakPolarHBondContact CA-O 3.15Å
521D71.8Confident81.9Confident153 Ų15366.6 Ų66.682%0.81838%0.376SS*.THydrogen-bonded Turntrans-69.7-23.2174.8-58-41.6000112.6S519S519-D521 PolarHBondContact O-N 2.94Å; S519-D521 VanDerWaalsContact O-N 3.14Å; S519-D521 PolarHBondContact OG-N 2.89Å; S519-D521 PolarHBondContact OG-OD2 2.86Å
522T68.9Low81.5Confident108 Ų10868.6 Ų68.666%0.66339%0.387SS*.THydrogen-bonded Turntrans-117.3-25.6-173.4-39.40000112.7S519 F520S519-T522 PolarHBondContact O-N 3.16Å; S519-T522 VanDerWaalsContact O-N 3.08Å; F520-T522 PolarHBondContact O-N 2.78Å
523F71.7Confident80.6Confident100 Ų10068.7 Ų68.744%0.43939%0.391SS..SBendtrans-133.3143-179.3-64.6-85.2000111.6H516 F518 S519 F520H516-F523 VanDerWaalsContact NE2-CB 3.32Å; H516-F523 WeakPolarHBondContact NE2-CB 3.48Å; F518-F523 HydrophobicContact CB-CD2 3.62Å; F518-F523 HydrophobicContact CB-CE2 4.2Å; F518-F523 HydrophobicContact CB-CG 4.34Å; F518-F523 HydrophobicContact CD1-CD2 4.4Å; F518-F523 HydrophobicContact CD1-CE2 4.11Å; F518-F523 HydrophobicContact CG-CD2 4.12Å; F518-F523 HydrophobicContact CG-CE2 4.26Å; S519-F523 PolarHBondContact O-N 2.93Å; F520-F523 WeakPolarHBondContact CA-O 3.15Å
524P74Confident79.4Confident103 Ų10372 Ų7267%0.66941%0.409SS*.  trans-64.4156.4177.727.2-33.6000111.9H516H516-P524 PolarHBondContact CE1-O 2.8Å; H516-P524 PolarHBondContact NE2-O 2.92Å
525S76.1Confident77.8Confident42 Ų4274.1 Ų74.129%0.29443%0.429SS..  trans-60.2164.3178.558.40000113.3S527S525-S527 PolarHBondContact O-N 3.28Å
526D83.7Confident76Confident56 Ų5677.2 Ų77.230%0.29945%0.447SS..  trans-43.8133.3173.9-63.8-15.1000111.5L514 I515 H516L514-D526 WeakPolarHBondContact O-CA 3.41Å; I515-D526 WeakPolarHBondContact CA-OD1 3.25Å; I515-D526 HydrophobicContact CG1-CB 4.47Å; H516-D526 PolarHBondContact N-OD1 2.82Å
527S84.1Confident74.1Confident47 Ų4785.9 Ų85.933%0.32949%0.487SS..EExtended strand (participates in β ladder)trans-135.5138.6-171.556.60000111.5A513 L514 S525A513-S527 CarbonylContact C-O 3.55Å; A513-S527 VanDerWaalsContact CA-O 3.31Å; A513-S527 WeakPolarHBondContact CA-O 3.1Å; L514-S527 PolarHBondContact N-O 2.83Å; L514-S527 PolarHBondContact O-N 2.78Å; S525-S527 PolarHBondContact O-N 3.28Å
528E86.1Confident72.1Confident84 Ų8489.8 Ų89.839%0.39350%0.5SS..EExtended strand (participates in β ladder)trans-130.3130.7173.1-175.9175.2-163.500109.8S512 A513 H546S512-E528 WeakPolarHBondContact O-CA 3.48Å; A513-E528 HydrophobicContact CB-CB 4.23Å; A513-E528 HydrophobicContact CB-CG 4.09Å; E528-H546 PolarHBondContact O-N 2.84Å
529V85.9Confident70Confident54 Ų5494.6 Ų94.633%0.32753%0.527SS..EExtended strand (participates in β ladder)trans-124.9121.2176.8-178.80000108.7C511 S512 I543 L545C511-V529 CarbonylContact C-O 3.53Å; C511-V529 WeakPolarHBondContact CA-O 3.22Å; S512-V529 PolarHBondContact N-O 3.08Å; S512-V529 PolarHBondContact O-N 2.83Å; V529-I543 HydrophobicContact CG1-CG2 4.4Å; V529-L545 HydrophobicContact CG2-CG 4.43Å
530C84.6Confident68Low30 Ų3094.6 Ų94.620%0.20353%0.527CS..EExtended strand (participates in β ladder)trans-117.9135.3176.7-700000111.3V510 C511V510-C530 CarbonylContact O-C 3.55Å; V510-C530 WeakPolarHBondContact O-CA 3.34Å; C511-C530 HydrophobicContact CB-CB 4.16Å; C511-C530 WeakPolarHBondContact CB-SG 3.48Å; C511-C530 WeakPolarHBondContact SG-CB 3.35Å; C511-C530 CovalentContact SG-SG 2.05Å; C511-C530 PolarHBondContact SG-SG 3.49Å
531V84.4Confident66.3Low55 Ų5594.9 Ų94.933%0.33353%0.528SS..EExtended strand (participates in β ladder)trans-120.9124.1172.9-177.60000108.5S509 V510 F541S509-V531 CarbonylContact C-O 3.59Å; S509-V531 WeakPolarHBondContact CA-O 3.49Å; V510-V531 PolarHBondContact N-O 3.39Å; V510-V531 PolarHBondContact O-N 2.78Å; V531-F541 HydrophobicContact CG1-CD1 4.4Å
532T80Confident64.6Low62 Ų6296 Ų9638%0.3852%0.522SS..EExtended strand (participates in β ladder)trans-113.8129.7177.3-50.80000109.1P508P508-T532 WeakPolarHBondContact O-CA 3.47Å
533A73.2Confident63Low47 Ų4796.4 Ų96.439%0.38852%0.519SS..  trans-100.6125174.300000109.5S507 P508S507-A533 WeakPolarHBondContact CA-O 3.02Å; P508-A533 VanDerWaalsContact CD-O 3.25Å; P508-A533 WeakPolarHBondContact CD-O 3.06Å; P508-A533 HydrophobicContact CG-CB 4.25Å; P508-A533 PolarHBondContact O-N 2.8Å
534T65.4Low61.4Low84 Ų8496.4 Ų96.452%0.51552%0.523SS..  trans-110.1124.4177.351.10000110N536T534-N536 PolarHBondContact O-N 2.98Å; T534-N536 VanDerWaalsContact O-N 3.08Å
535S55Low59.4Low107 Ų10797 Ų9775%0.74852%0.52SS*.  trans-79.888.5176.51750000111.2
536N50.2Low57.7Low145 Ų145100.4 Ų100.478%0.77553%0.531SS*.SBendtrans-154.698.3157.3-111.4-4.3000109.5T534 H538T534-N536 PolarHBondContact O-N 2.98Å; T534-N536 VanDerWaalsContact O-N 3.08Å; N536-H538 PolarHBondContact O-N 3.05Å
537Q46.6Very low55.4Low201 Ų201101.9 Ų101.994%0.93954%0.542SS*.SBendtrans33.44.2167.9-74.3-174.7-15.800122.7
538H43.6Very low53.3Low158 Ų158105.9 Ų105.973%0.73156%0.557SS**SBendtrans-145.3117.3169.1-89.5-87.8000108.7N536 S540N536-H538 PolarHBondContact O-N 3.05Å; H538-S540 PolarHBondContact O-N 3.49Å
539L37.2Very low50.8Low144 Ų144110.7 Ų110.775%0.75458%0.579SS**  trans-65.296170.3-95.8143.4000108.8F541L539-F541 HydrophobicContact CB-CE2 4.25Å; L539-F541 HydrophobicContact CD2-CE1 4.32Å; L539-F541 HydrophobicContact CD2-CE2 4.1Å; L539-F541 HydrophobicContact CD2-CZ 3.78Å
540S34.2Very low48.3Very low61 Ų61111.8 Ų111.843%0.42760%0.602SS.*  trans-98.1110.6169-59.40000108.2H538H538-S540 PolarHBondContact O-N 3.49Å
541F36.1Very low45.9Very low152 Ų152114 Ų11467%0.66763%0.63SS**  trans-84.2109.3173.2-65.6-88.2000108.8V531 L539V531-F541 HydrophobicContact CG1-CD1 4.4Å; L539-F541 HydrophobicContact CB-CE2 4.25Å; L539-F541 HydrophobicContact CD2-CE1 4.32Å; L539-F541 HydrophobicContact CD2-CE2 4.1Å; L539-F541 HydrophobicContact CD2-CZ 3.78Å
542Y36.7Very low43.4Very low177 Ų177121.8 Ų121.869%0.69468%0.678SS**  trans-95.3112.3164.8-73.1-85.4000108.1
543I34.7Very low41.6Very low116 Ų116124.8 Ų124.860%0.59569%0.693SS**EExtended strand (participates in β ladder)trans-88.1103.8165.9-61.7174.4000106V529 L545V529-I543 HydrophobicContact CG1-CG2 4.4Å; I543-L545 HydrophobicContact CG2-CD1 4.08Å
544L38.1Very low39.9Very low100 Ų100128.9 Ų128.952%0.52471%0.709SS.*EExtended strand (participates in β ladder)trans-86.8109.3164.1-117.590.2000107.3
545L31.6Very low38.5Very low116 Ų116131.4 Ų131.461%0.60772%0.719SS**EExtended strand (participates in β ladder)trans-96.7101.8172.7-123.1144.7000106.9V529 I543 V547V529-L545 HydrophobicContact CG2-CG 4.43Å; I543-L545 HydrophobicContact CG2-CD1 4.08Å; L545-V547 HydrophobicContact CD2-CG2 4.39Å
546H39.8Very low37.5Very low112 Ų112132.8 Ų132.852%0.51972%0.718SS.*EExtended strand (participates in β ladder)trans-94.6106.5170-94.7-68.2000108.5E528 M548E528-H546 PolarHBondContact O-N 2.84Å; H546-M548 PolarHBondContact O-N 3.16Å
547V36.3Very low36.7Very low87 Ų87132.1 Ų132.153%0.52771%0.714SS.*EExtended strand (participates in β ladder)trans-82.4107.7163.1178.70000106.3L545 Q549L545-V547 HydrophobicContact CD2-CG2 4.39Å; V547-Q549 PolarHBondContact O-N 3.36Å; V547-Q549 VanDerWaalsContact O-N 3.09Å
548M39.5Very low36.1Very low131 Ų131127.5 Ų127.565%0.64570%0.699SS**  trans-76.294.8173.7-72.2-79.3-82.400107.9H546 G550H546-M548 PolarHBondContact O-N 3.16Å; M548-G550 PolarHBondContact O-N 2.84Å; M548-G550 VanDerWaalsContact O-N 3.13Å
549Q33.4Very low35.5Very low185 Ų185125.3 Ų125.386%0.86470%0.697SS**  trans-70.3103.6166.3-83.9179.5-32.400108.4V547 G551V547-Q549 PolarHBondContact O-N 3.36Å; V547-Q549 VanDerWaalsContact O-N 3.09Å; Q549-G551 PolarHBondContact O-N 3.39Å
550G33.1Very low35.4Very low78 Ų78123.8 Ų123.880%0.80469%0.692SS**  trans-63118.8170.800000110.4M548M548-G550 PolarHBondContact O-N 2.84Å; M548-G550 VanDerWaalsContact O-N 3.13Å
551G34.3Very low35.5Very low76 Ų76129.1 Ų129.178%0.78471%0.714SS**  trans-67.6141.7167.400000110.8Q549Q549-G551 PolarHBondContact O-N 3.39Å
552T32.5Very low35.4Very low219 Ų219127 Ų127100%1.34472%0.719SS**  trans-49.20176.248.60000114.9

Retrieved 552 of 552 residues in 1952.9 ms (Link to these results)