A0A077ZQ60_TRITR Loading...

Abnormal cell migration protein 18-like fibronectin type I domain-containing protein

AlphaFold DB , UniProt , Accession A0A077ZQ60, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 354 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M36.5Very low36.8Very low240 Ų240155.3 Ų155.3100%1.18284%0.842SS**  087.90-70169.483.100108.3
2Q40.2Very low36.2Very low182 Ų182149.4 Ų149.485%0.8583%0.831SS**  trans-162.288.7172.2-125.3172-25.800106.9
3W38.1Very low36.1Very low260 Ų260145.7 Ų145.799%0.98582%0.819SS**  trans-90.399.3171.4-80.745.6000106.3A5W3-A5 PolarHBondContact O-N 2.87Å; W3-A5 VanDerWaalsContact O-N 3.15Å
4S40.4Very low36Very low111 Ų111145.5 Ų145.578%0.77681%0.814SS**  trans-67108.9175.3-53.30000108.7A6S4-A6 PolarHBondContact O-N 3.18Å
5A39.5Very low36.3Very low82 Ų82147.7 Ų147.768%0.67882%0.815SS**  trans-60.5103.617100000109.6W3 F7W3-A5 PolarHBondContact O-N 2.87Å; W3-A5 VanDerWaalsContact O-N 3.15Å; A5-F7 VanDerWaalsContact C-N 3.29Å; A5-F7 HydrophobicContact CB-CD2 4.36Å; A5-F7 PolarHBondContact O-N 3.44Å
6A40.5Very low37Very low106 Ų106143.3 Ų143.388%0.87679%0.789SS**  trans-72.787.316800000109S4 L8S4-A6 PolarHBondContact O-N 3.18Å; A6-L8 PolarHBondContact O-N 3.22Å
7F31.9Very low37.6Very low184 Ų184138.8 Ų138.881%0.80777%0.771SS**  trans-75.8103.6164-103.7-93.6000109A5A5-F7 VanDerWaalsContact C-N 3.29Å; A5-F7 HydrophobicContact CB-CD2 4.36Å; A5-F7 PolarHBondContact O-N 3.44Å
8L39.3Very low38.5Very low161 Ų161134.5 Ų134.584%0.84375%0.749SS**  trans-147.588.1157.4-79.7-177.4000111A6A6-L8 PolarHBondContact O-N 3.22Å
9I33.9Very low39.7Very low140 Ų140131.2 Ų131.272%0.71873%0.729SS**  trans43103.5132.6-53.5170.9000116.5I11I9-I11 PolarHBondContact O-N 3.27Å; I9-I11 VanDerWaalsContact O-N 3.08Å
10A29.4Very low40.8Very low99 Ų99127.5 Ų127.582%0.81871%0.707SS**  trans-54.9104.9157.800000110.9A12A10-A12 PolarHBondContact O-N 3.45Å
11I35.6Very low41.7Very low143 Ų143122 Ų12273%0.73368%0.677SS**  trans-82.9101.3158.1-63.4175000105.5I9 C13I9-I11 PolarHBondContact O-N 3.27Å; I9-I11 VanDerWaalsContact O-N 3.08Å; I11-C13 VanDerWaalsContact C-N 3.27Å; I11-C13 PolarHBondContact O-N 3.42Å
12A28.7Very low42.6Very low85 Ų85116.4 Ų116.470%0.70265%0.652SS**  trans-56.494.6167.700000108.6A10 L14A10-A12 PolarHBondContact O-N 3.45Å; A12-L14 PolarHBondContact O-N 2.76Å
13C36Very low43.2Very low101 Ų101112.9 Ų112.968%0.68263%0.634SS**  trans-6487.9167.1-82.50000107.6I11 H15I11-C13 VanDerWaalsContact C-N 3.27Å; I11-C13 PolarHBondContact O-N 3.42Å; C13-H15 VanDerWaalsContact C-N 3.34Å; C13-H15 PolarHBondContact O-CD2 3.19Å; C13-H15 VanDerWaalsContact O-CD2 3.28Å; C13-H15 PolarHBondContact O-N 2.8Å
14L33.7Very low44Very low143 Ų143100.7 Ų100.775%0.74959%0.588SS**  trans-56.297.7168.6-94.9160.7000108.3A12 L16A12-L14 PolarHBondContact O-N 2.76Å; L14-L16 HydrophobicContact CB-CD1 3.56Å; L14-L16 HydrophobicContact CD1-CD1 4.46Å; L14-L16 HydrophobicContact CD2-CD1 3.82Å; L14-L16 HydrophobicContact CG-CD1 4.15Å; L14-L16 PolarHBondContact O-N 2.81Å
15H40.6Very low44.9Very low178 Ų17899.5 Ų99.582%0.82458%0.577SS**  trans-61.376.5166-71.2-94.3000108.9C13 S17C13-H15 VanDerWaalsContact C-N 3.34Å; C13-H15 PolarHBondContact O-CD2 3.19Å; C13-H15 VanDerWaalsContact O-CD2 3.28Å; C13-H15 PolarHBondContact O-N 2.8Å; H15-S17 VanDerWaalsContact C-N 3.29Å; H15-S17 PolarHBondContact O-N 2.93Å
16L47.2Very low46.2Very low77 Ų7798.2 Ų98.240%0.40356%0.563SS.*  trans-80.984.7173.7-96.585.9000109.1L14 Y190L14-L16 HydrophobicContact CB-CD1 3.56Å; L14-L16 HydrophobicContact CD1-CD1 4.46Å; L14-L16 HydrophobicContact CD2-CD1 3.82Å; L14-L16 HydrophobicContact CG-CD1 4.15Å; L14-L16 PolarHBondContact O-N 2.81Å; L16-Y190 HydrophobicContact CD2-CE1 4.31Å
17S47.6Very low48.1Very low68 Ų6895.1 Ų95.148%0.47653%0.53SS..  trans-51.6149.9161.943.30000110.8H15 I19H15-S17 VanDerWaalsContact C-N 3.29Å; H15-S17 PolarHBondContact O-N 2.93Å; S17-I19 PolarHBondContact O-N 3.12Å
18T54.5Low50.6Low61 Ų6189.5 Ų89.537%0.37451%0.511SS..  trans-54.5105.815949.40000107.4L20T18-L20 PolarHBondContact O-N 2.57Å
19I60.9Low52.8Low71 Ų7182.8 Ų82.836%0.36448%0.477SS..  trans-75.484.7176-54.2177.1000105.7S17 F152S17-I19 PolarHBondContact O-N 3.12Å; I19-F152 HydrophobicContact CG2-CE2 4.35Å; I19-F152 HydrophobicContact CG2-CZ 4.42Å
20L62.4Low55.3Low58 Ų5877.6 Ų77.630%0.30445%0.454SS..BIsolated β-bridgetrans-72.6141.6163.9-106.486.2000108T18 Y195 K201T18-L20 PolarHBondContact O-N 2.57Å; L20-Y195 HydrophobicContact CD2-CD1 4.28Å; L20-Y195 HydrophobicContact CD2-CE1 3.94Å; L20-K201 HydrophobicContact CD1-CB 4.5Å; L20-K201 HydrophobicContact CD1-CD 3.84Å; L20-K201 HydrophobicContact CG-CB 4.36Å; L20-K201 HydrophobicContact CG-CD 4.2Å
21C59.7Low58.1Low12 Ų1273.5 Ų73.58%0.08142%0.419CS..  trans-11089.3170.8-169.70000109.6K23 C24 F152C21-K23 PolarHBondContact O-N 3.49Å; C21-C24 HydrophobicContact CB-CB 3.35Å; C21-C24 WeakPolarHBondContact CB-SG 3.24Å; C21-C24 WeakPolarHBondContact O-CB 3.22Å; C21-C24 PolarHBondContact O-N 3.24Å; C21-C24 VanDerWaalsContact SG-CA 3.55Å; C21-C24 WeakPolarHBondContact SG-CB 3.06Å; C21-C24 PolarHBondContact SG-N 2.82Å; C21-C24 CovalentContact SG-SG 1.99Å; C21-C24 PolarHBondContact SG-SG 2.92Å; C21-F152 HydrophobicContact CB-CD2 3.79Å; C21-F152 HydrophobicContact CB-CE1 4.4Å; C21-F152 HydrophobicContact CB-CE2 3.3Å; C21-F152 HydrophobicContact CB-CZ 3.64Å
22D54.4Low60.4Low123 Ų12371 Ų7166%0.65840%0.401SS*.G310 helixtrans-61.1-29.2176.5-59.8-25.2000111.6
23K52.1Low63.1Low108 Ų10872.3 Ų72.347%0.4739%0.388SS..G310 helixtrans-90.76.2175.2-60.6-171.8-177.6-178.80114C21 T25C21-K23 PolarHBondContact O-N 3.49Å; K23-T25 VanDerWaalsContact C-N 3.28Å
24C55.5Low65.2Low3 Ų370.6 Ų70.62%0.0237%0.368CS..G310 helixtrans-93.412.1171.9-67.10000111.6C21 S26 F152 F154C21-C24 HydrophobicContact CB-CB 3.35Å; C21-C24 WeakPolarHBondContact CB-SG 3.24Å; C21-C24 WeakPolarHBondContact O-CB 3.22Å; C21-C24 PolarHBondContact O-N 3.24Å; C21-C24 VanDerWaalsContact SG-CA 3.55Å; C21-C24 WeakPolarHBondContact SG-CB 3.06Å; C21-C24 PolarHBondContact SG-N 2.82Å; C21-C24 CovalentContact SG-SG 1.99Å; C21-C24 PolarHBondContact SG-SG 2.92Å; C24-S26 PolarHBondContact O-N 3.38Å; C24-F152 WeakPolarHBondContact SG-CD2 3.22Å; C24-F154 HydrophobicContact CB-CE1 4.47Å; C24-F154 HydrophobicContact CB-CZ 3.85Å; C24-F154 WeakPolarHBondContact SG-CZ 3.42Å
25T60.3Low67.2Low87 Ų8766.3 Ų66.353%0.53435%0.346SS..SBendtrans-52.2138.8151.648.40000107.5K23 E27K23-T25 VanDerWaalsContact C-N 3.28Å; T25-E27 PolarHBondContact O-N 2.88Å
26S66.9Low68.6Low54 Ų5460.9 Ų60.938%0.37832%0.318SS..  trans-52.7112.3179.551.90000108.5C24 V28C24-S26 PolarHBondContact O-N 3.38Å; S26-V28 WeakPolarHBondContact O-CG2 3.38Å; S26-V28 PolarHBondContact O-N 2.89Å
27E79.3Confident69.2Low41 Ų4161.5 Ų61.519%0.19233%0.326CS..  trans-72126.4167.6-75.1-172.2-177.700106.5T25 S114 F115 R149 I164 H165T25-E27 PolarHBondContact O-N 2.88Å; E27-S114 WeakPolarHBondContact OE2-CB 3.44Å; E27-S114 PolarHBondContact OE2-OG 2.83Å; E27-F115 HydrophobicContact CB-CE2 4.44Å; E27-F115 HydrophobicContact CB-CZ 4.31Å; E27-R149 IonicContact OE1-CZ 2.74Å; E27-R149 IonicContact OE1-NH1 3.2Å; E27-R149 PolarHBondContact OE1-NH1 3.15Å; E27-R149 IonicContact OE1-NH2 2.81Å; E27-R149 PolarHBondContact OE1-NH2 2.87Å; E27-R149 IonicContact OE2-CZ 2.73Å; E27-R149 IonicContact OE2-NH1 3.92Å; E27-R149 PolarHBondContact OE2-NH1 3.19Å; E27-R149 IonicContact OE2-NH2 2.6Å; E27-I164 CarbonylContact O-C 3.4Å; E27-I164 VanDerWaalsContact O-CA 3.27Å; E27-I164 WeakPolarHBondContact O-CA 3.47Å; E27-H165 HydrophobicContact CB-CB 4.38Å; E27-H165 PolarHBondContact O-N 2.91Å; E27-H165 IonicContact OE2-CE1 2.76Å; E27-H165 IonicContact OE2-ND1 2.97Å
28V84.1Confident70Confident67 Ų6765.1 Ų65.141%0.40633%0.333SS..EExtended strand (participates in β ladder)trans-127.2136.3-174.5177.40000107.4S26 R162 I164S26-V28 WeakPolarHBondContact O-CG2 3.38Å; S26-V28 PolarHBondContact O-N 2.89Å; V28-R162 HydrophobicContact CG1-CB 4.07Å; V28-R162 HydrophobicContact CG1-CG 4.16Å; V28-I164 HydrophobicContact CB-CG2 4.05Å; V28-I164 HydrophobicContact CG1-CG2 3.86Å; V28-I164 HydrophobicContact CG2-CB 4.12Å; V28-I164 HydrophobicContact CG2-CG2 3.5Å
29S86.5Confident70.4Confident19 Ų1965.6 Ų65.613%0.13334%0.336CS..EExtended strand (participates in β ladder)trans-141.1161.1168.1-174.70000110.1Y117 I130 R162 V163S29-Y117 PolarHBondContact OG-OH 2.78Å; S29-I130 VanDerWaalsContact CB-CD1 3.45Å; S29-R162 CarbonylContact O-C 3.59Å; S29-R162 WeakPolarHBondContact O-CA 3.23Å; S29-V163 PolarHBondContact N-O 2.81Å; S29-V163 PolarHBondContact O-N 3.18Å
30S86.2Confident70.8Confident32 Ų3263.6 Ų63.622%0.22433%0.325CS..EExtended strand (participates in β ladder)trans-112147.6-177.1-55.40000110.4Y32 N161S30-Y32 WeakPolarHBondContact O-CD2 3.41Å; S30-Y32 WeakPolarHBondContact O-CE2 3.27Å; S30-N161 CarbonylContact C-O 3.54Å; S30-N161 WeakPolarHBondContact CA-O 3.47Å
31S86.8Confident70.8Confident13 Ų1366.9 Ų66.99%0.09134%0.339CS..  trans-83147.7165.9-59.20000109.8L128 I130 N161S31-L128 WeakPolarHBondContact CA-O 3.41Å; S31-I130 PolarHBondContact OG-N 2.76Å; S31-I130 VanDerWaalsContact OG-N 3.15Å; S31-N161 PolarHBondContact N-O 3.39Å
32Y85.7Confident71.1Confident89 Ų8975.1 Ų75.135%0.34938%0.376SS..EExtended strand (participates in β ladder)trans-122.8137.8-179-57.5-86.9000109.4S30 F77 G127 L128S30-Y32 WeakPolarHBondContact O-CD2 3.41Å; S30-Y32 WeakPolarHBondContact O-CE2 3.27Å; Y32-F77 HydrophobicContact CD1-CD2 4.45Å; Y32-F77 HydrophobicContact CD1-CE2 4.12Å; Y32-F77 HydrophobicContact CD1-CZ 4.16Å; Y32-F77 HydrophobicContact CD2-CD1 4.34Å; Y32-F77 HydrophobicContact CD2-CE1 4.23Å; Y32-F77 HydrophobicContact CE1-CE1 4.45Å; Y32-F77 HydrophobicContact CE1-CE2 4.28Å; Y32-F77 AromaticContact CE1-CZ 3.97Å; Y32-F77 HydrophobicContact CE1-CZ 3.97Å; Y32-F77 HydrophobicContact CE2-CE1 4.17Å; Y32-F77 HydrophobicContact CE2-CZ 4.47Å; Y32-F77 HydrophobicContact CG-CD1 4.41Å; Y32-F77 HydrophobicContact CG-CE1 4.41Å; Y32-F77 HydrophobicContact CG-CG 4.48Å; Y32-F77 HydrophobicContact CG-CZ 4.48Å; Y32-G127 CarbonylContact O-C 3.55Å; Y32-G127 WeakPolarHBondContact O-CA 3.32Å; Y32-L128 PolarHBondContact N-O 3.01Å; Y32-L128 PolarHBondContact O-N 2.86Å
33Y84.7Confident72.1Confident114 Ų11472.8 Ų72.845%0.44736%0.358SS..EExtended strand (participates in β ladder)trans-129.6143.1-177.3-62.8-90.7000109.8I126 V129Y33-I126 WeakPolarHBondContact CA-O 3.29Å; Y33-V129 HydrophobicContact CD1-CG2 4.44Å; Y33-V129 HydrophobicContact CE1-CG2 3.5Å; Y33-V129 WeakPolarHBondContact OH-CG2 3.48Å
34Y80.9Confident73.5Confident65 Ų6568 Ų6826%0.25534%0.337SS..EExtended strand (participates in β ladder)trans-115.2129.9168.5-166.7-82.5000109.1F78 L80 P94 R125 I126Y34-F78 HydrophobicContact CD2-CD2 4.22Å; Y34-F78 HydrophobicContact CG-CD2 4.42Å; Y34-L80 HydrophobicContact CD1-CD2 4.32Å; Y34-L80 HydrophobicContact CD2-CD2 4.22Å; Y34-L80 HydrophobicContact CE1-CD2 4.04Å; Y34-L80 HydrophobicContact CE2-CD1 3.98Å; Y34-L80 HydrophobicContact CE2-CD2 3.95Å; Y34-L80 HydrophobicContact CG-CD2 4.39Å; Y34-P94 HydrophobicContact CD1-CB 4.01Å; Y34-P94 HydrophobicContact CD1-CG 3.6Å; Y34-P94 HydrophobicContact CE1-CG 4.3Å; Y34-P94 HydrophobicContact CG-CB 4.32Å; Y34-P94 HydrophobicContact CG-CG 4.25Å; Y34-R125 WeakPolarHBondContact O-CA 3.27Å; Y34-R125 WeakPolarHBondContact O-CB 3.36Å; Y34-I126 PolarHBondContact N-O 2.81Å; Y34-I126 PolarHBondContact O-N 2.8Å
35D75.6Confident75Confident53 Ų5372.3 Ų72.328%0.28335%0.354SS..EExtended strand (participates in β ladder)trans-96.1120.9179.7-162.5-30.9000110.3T37 R125D35-T37 WeakPolarHBondContact OD1-CB 3.47Å; D35-T37 WeakPolarHBondContact OD1-CG2 3.43Å; D35-T37 PolarHBondContact OD1-N 3.16Å; D35-T37 PolarHBondContact OD1-OG1 3.5Å; D35-R125 HydrophobicContact CB-CG 4.28Å; D35-R125 IonicContact OD2-CZ 2.78Å; D35-R125 VanDerWaalsContact OD2-CZ 3.27Å; D35-R125 IonicContact OD2-NE 2.65Å; D35-R125 PolarHBondContact OD2-NE 3.05Å; D35-R125 IonicContact OD2-NH2 2.77Å; D35-R125 PolarHBondContact OD2-NH2 2.83Å
36Y69.5Low76.2Confident63 Ų6369.1 Ų69.125%0.24733%0.332CS..  trans-98.52.2178.261.2-103.9000113.3K38 L91 P94 E121 G124 R125Y36-K38 PolarHBondContact O-N 2.85Å; Y36-L91 WeakPolarHBondContact O-CD1 3.36Å; Y36-P94 HydrophobicContact CD1-CG 4.35Å; Y36-E121 PolarHBondContact OH-OE1 3.17Å; Y36-G124 VanDerWaalsContact CD1-C 3.44Å; Y36-G124 WeakPolarHBondContact CD1-O 3.5Å; Y36-G124 WeakPolarHBondContact CE1-O 3.49Å; Y36-G124 VanDerWaalsContact CG-O 3.26Å; Y36-G124 PolarHBondContact N-O 2.99Å; Y36-G124 WeakPolarHBondContact OH-CA 3.49Å; Y36-G124 PolarHBondContact OH-N 2.93Å; Y36-R125 VanDerWaalsContact CE1-N 3.25Å
37T60.3Low77.1Confident90 Ų9071.5 Ų71.555%0.55234%0.336SS*.  trans-72-12.4177.862.40000113.1D35 V39D35-T37 WeakPolarHBondContact OD1-CB 3.47Å; D35-T37 WeakPolarHBondContact OD1-CG2 3.43Å; D35-T37 PolarHBondContact OD1-N 3.16Å; D35-T37 PolarHBondContact OD1-OG1 3.5Å; T37-V39 PolarHBondContact O-N 2.74Å
38K63.3Low77.4Confident145 Ų14576.3 Ų76.363%0.6335%0.353SS*.  trans-82.379.8-179.6-154.6179.9179-179.80111.3Y36 Q40Y36-K38 PolarHBondContact O-N 2.85Å; K38-Q40 VanDerWaalsContact CG-NE2 3.33Å; K38-Q40 PolarHBondContact O-N 2.78Å; K38-Q40 PolarHBondContact O-NE2 2.65Å
39V64.1Low77.4Confident71 Ų7177.2 Ų77.243%0.4336%0.355SS..  trans-50.5129.2163.7176.70000108.8T37 E41 I85 A89T37-V39 PolarHBondContact O-N 2.74Å; V39-E41 HydrophobicContact CG1-CG 4.45Å; V39-I85 HydrophobicContact CB-CD1 4.13Å; V39-I85 HydrophobicContact CG1-CD1 3.68Å; V39-I85 HydrophobicContact CG2-CD1 3.67Å; V39-A89 HydrophobicContact CG1-CB 3.82Å
40Q68.5Low77.4Confident29 Ų2985.8 Ų85.814%0.13639%0.389CS..BIsolated β-bridgetrans-102.3112.9-178.5-58.1-61.6-42.900109.5K38 R43 V44 V90K38-Q40 VanDerWaalsContact CG-NE2 3.33Å; K38-Q40 PolarHBondContact O-N 2.78Å; K38-Q40 PolarHBondContact O-NE2 2.65Å; Q40-R43 HydrophobicContact CB-CB 4.21Å; Q40-R43 HydrophobicContact CG-CB 4.49Å; Q40-V44 VanDerWaalsContact O-CG2 3.22Å; Q40-V44 WeakPolarHBondContact O-CG2 3.32Å; Q40-V90 HydrophobicContact CB-CG2 4.18Å; Q40-V90 PolarHBondContact N-O 3.32Å; Q40-V90 PolarHBondContact O-N 3.33Å; Q40-V90 VanDerWaalsContact O-N 3.13Å
41E63.4Low77.1Confident127 Ų12793.7 Ų93.759%0.59342%0.42SS*.SBendtrans-100-27.1173-63-173.4171.100112.3V39 A89V39-E41 HydrophobicContact CG1-CG 4.45Å; E41-A89 HydrophobicContact CG-CB 4.23Å
42E66Low76.9Confident184 Ų18499.9 Ų99.986%0.8645%0.447SS*.SBendtrans-88.9-34179.4-64-178.8170.800112.4V44E42-V44 VanDerWaalsContact C-N 3.31Å; E42-V44 PolarHBondContact O-N 3.03Å
43R74.1Confident76.6Confident74 Ų74101.5 Ų101.528%0.27945%0.453SS..SBendtrans-97.752.1-172.7-64.618057.51771.1113Q40 V60 L61 D62Q40-R43 HydrophobicContact CB-CB 4.21Å; Q40-R43 HydrophobicContact CG-CB 4.49Å; R43-V60 HydrophobicContact CB-CB 4.49Å; R43-V60 PolarHBondContact NE-O 3.06Å; R43-V60 PolarHBondContact NH2-O 2.89Å; R43-V60 PolarHBondContact O-N 3.21Å; R43-L61 PolarHBondContact NH2-O 2.88Å; R43-D62 IonicContact CZ-OD1 3.91Å; R43-D62 IonicContact NH1-OD1 3.34Å; R43-D62 PolarHBondContact NH1-OD1 3.01Å; R43-D62 VanDerWaalsContact NH2-CA 3.28Å; R43-D62 IonicContact NH2-OD1 3.2Å; R43-D62 PolarHBondContact NH2-OD1 3.1Å
44V82Confident76.6Confident7 Ų798.9 Ų98.94%0.04245%0.449CS..EExtended strand (participates in β ladder)trans-113135-174.7-179.70000109.1Q40 E42 W46 A56 V90Q40-V44 VanDerWaalsContact O-CG2 3.22Å; Q40-V44 WeakPolarHBondContact O-CG2 3.32Å; E42-V44 VanDerWaalsContact C-N 3.31Å; E42-V44 PolarHBondContact O-N 3.03Å; V44-W46 HydrophobicContact CB-CD2 4.47Å; V44-W46 VanDerWaalsContact CB-CE2 3.45Å; V44-W46 HydrophobicContact CB-CH2 4.21Å; V44-W46 HydrophobicContact CB-CZ2 3.23Å; V44-W46 HydrophobicContact CG1-CD2 4.03Å; V44-W46 HydrophobicContact CG1-CE3 4.49Å; V44-W46 HydrophobicContact CG1-CH2 3.64Å; V44-W46 HydrophobicContact CG1-CZ2 3.11Å; V44-W46 HydrophobicContact CG1-CZ3 4.38Å; V44-W46 HydrophobicContact CG2-CZ2 3.72Å; V44-W46 PolarHBondContact O-NE1 2.97Å; V44-W46 VanDerWaalsContact O-NE1 3.11Å; V44-A56 HydrophobicContact CG1-CB 3.37Å; V44-V90 HydrophobicContact CB-CG1 4.38Å; V44-V90 HydrophobicContact CB-CG2 4.4Å; V44-V90 HydrophobicContact CG1-CG1 3.67Å; V44-V90 HydrophobicContact CG2-CB 4.44Å; V44-V90 HydrophobicContact CG2-CG1 4.07Å; V44-V90 HydrophobicContact CG2-CG2 3.8Å
45Y86.5Confident76.9Confident94 Ų9498.2 Ų98.237%0.36945%0.451SS..EExtended strand (participates in β ladder)trans-83.5119.1173179.9-145.8000108.5I57 G58 N66Y45-I57 HydrophobicContact CD1-CD1 3.85Å; Y45-I57 HydrophobicContact CD1-CG1 3.73Å; Y45-I57 HydrophobicContact CD2-CD1 4.44Å; Y45-I57 HydrophobicContact CE1-CD1 3.58Å; Y45-I57 HydrophobicContact CE1-CG1 4.01Å; Y45-I57 HydrophobicContact CE2-CD1 4.19Å; Y45-I57 HydrophobicContact CG-CD1 4.27Å; Y45-I57 HydrophobicContact CG-CG1 4Å; Y45-I57 WeakPolarHBondContact O-CG1 3.25Å; Y45-I57 PolarHBondContact O-N 2.81Å; Y45-G58 PolarHBondContact N-O 2.71Å; Y45-G58 PolarHBondContact O-N 2.87Å; Y45-N66 HydrophobicContact CD1-CB 3.78Å; Y45-N66 HydrophobicContact CD2-CB 4.18Å; Y45-N66 HydrophobicContact CE1-CB 4.03Å; Y45-N66 HydrophobicContact CE2-CB 4.43Å; Y45-N66 HydrophobicContact CG-CB 3.88Å
46W85.9Confident77.4Confident21 Ų2195.8 Ų95.88%0.0844%0.439CS..EExtended strand (participates in β ladder)trans-103.8142.9-169.7-6899.6000113V44 Y48 R53 V55 A56 D87 T88V44-W46 HydrophobicContact CB-CD2 4.47Å; V44-W46 VanDerWaalsContact CB-CE2 3.45Å; V44-W46 HydrophobicContact CB-CH2 4.21Å; V44-W46 HydrophobicContact CB-CZ2 3.23Å; V44-W46 HydrophobicContact CG1-CD2 4.03Å; V44-W46 HydrophobicContact CG1-CE3 4.49Å; V44-W46 HydrophobicContact CG1-CH2 3.64Å; V44-W46 HydrophobicContact CG1-CZ2 3.11Å; V44-W46 HydrophobicContact CG1-CZ3 4.38Å; V44-W46 HydrophobicContact CG2-CZ2 3.72Å; V44-W46 PolarHBondContact O-NE1 2.97Å; V44-W46 VanDerWaalsContact O-NE1 3.11Å; W46-Y48 HydrophobicContact CB-CD2 4.1Å; W46-Y48 HydrophobicContact CB-CE2 3.53Å; W46-R53 HydrophobicContact CB-CG 4.23Å; W46-R53 HydrophobicContact CD2-CG 3.4Å; W46-R53 HydrophobicContact CE3-CG 3.28Å; W46-R53 VanDerWaalsContact CE3-NE 3.27Å; W46-R53 HydrophobicContact CG-CG 3.76Å; W46-R53 VanDerWaalsContact CH2-CZ 3.46Å; W46-R53 VanDerWaalsContact CH2-NE 3.29Å; W46-R53 HydrophobicContact CZ3-CG 4Å; W46-R53 VanDerWaalsContact CZ3-NE 3.3Å; W46-V55 VanDerWaalsContact CZ3-C 3.42Å; W46-A56 HydrophobicContact CH2-CB 3.98Å; W46-A56 HydrophobicContact CZ3-CB 4.05Å; W46-D87 WeakPolarHBondContact CZ3-O 3.46Å; W46-T88 WeakPolarHBondContact CH2-O 3.37Å
47K86.9Confident78.4Confident104 Ų10495.3 Ų95.345%0.45244%0.44SS..EExtended strand (participates in β ladder)trans-82.3127.2160.2-171.9176.5-176.61790110T54 V55 I57K47-T54 PolarHBondContact O-N 2.81Å; K47-T54 PolarHBondContact O-OG1 2.03Å; K47-V55 HydrophobicContact CB-CG2 4.15Å; K47-V55 HydrophobicContact CD-CG2 4.37Å; K47-V55 PolarHBondContact N-O 3.38Å; K47-I57 HydrophobicContact CB-CD1 4.26Å; K47-I57 HydrophobicContact CB-CG2 3.74Å
48Y83.9Confident79.9Confident142 Ų14291 Ų9156%0.55741%0.414SS*.EExtended strand (participates in β ladder)trans-106.6129174.3-70.2-92000111W46 E52 R53W46-Y48 HydrophobicContact CB-CD2 4.1Å; W46-Y48 HydrophobicContact CB-CE2 3.53Å; Y48-E52 VanDerWaalsContact CA-O 3.3Å; Y48-E52 WeakPolarHBondContact CA-O 3.43Å; Y48-R53 HydrophobicContact CD1-CB 4.44Å; Y48-R53 HydrophobicContact CE1-CB 3.92Å
49I84.8Confident81.2Confident86 Ų8684.2 Ų84.244%0.44138%0.384SS..EExtended strand (participates in β ladder)trans-122.2125.9172.3-59.1-179.7000106.8K51 E52 T54I49-K51 PolarHBondContact O-N 2.88Å; I49-K51 VanDerWaalsContact O-N 3.15Å; I49-E52 PolarHBondContact N-O 2.9Å; I49-E52 PolarHBondContact O-N 3.35Å; I49-T54 HydrophobicContact CB-CG2 4.02Å; I49-T54 HydrophobicContact CD1-CG2 4.16Å; I49-T54 HydrophobicContact CG1-CG2 4.06Å
50K87Confident82.3Confident198 Ų19882.2 Ų82.286%0.86137%0.372SS*.THydrogen-bonded Turntrans50.937-175.8-62.1178178.5179.30113.6E52K50-E52 PolarHBondContact O-N 3.18Å
51K79.2Confident83.1Confident199 Ų19981.3 Ų81.387%0.86537%0.368SS*.THydrogen-bonded Turntrans689.1-176.5-55.1-178.8176.1-179.80115.9I49I49-K51 PolarHBondContact O-N 2.88Å; I49-K51 VanDerWaalsContact O-N 3.15Å
52E82.6Confident83.9Confident143 Ų14382.1 Ų82.167%0.66838%0.377SS*.EExtended strand (participates in β ladder)trans-100.9138.4174.3-68177.5177.600111.3Y48 I49 K50 T54Y48-E52 VanDerWaalsContact CA-O 3.3Å; Y48-E52 WeakPolarHBondContact CA-O 3.43Å; I49-E52 PolarHBondContact N-O 2.9Å; I49-E52 PolarHBondContact O-N 3.35Å; K50-E52 PolarHBondContact O-N 3.18Å; E52-T54 PolarHBondContact O-N 3.05Å
53R79.2Confident84.8Confident123 Ų12376.9 Ų76.946%0.46436%0.36SS..EExtended strand (participates in β ladder)trans-68.7122.7175171.6177.1157.4177.7-4.6108.9W46 Y48W46-R53 HydrophobicContact CB-CG 4.23Å; W46-R53 HydrophobicContact CD2-CG 3.4Å; W46-R53 HydrophobicContact CE3-CG 3.28Å; W46-R53 VanDerWaalsContact CE3-NE 3.27Å; W46-R53 HydrophobicContact CG-CG 3.76Å; W46-R53 VanDerWaalsContact CH2-CZ 3.46Å; W46-R53 VanDerWaalsContact CH2-NE 3.29Å; W46-R53 HydrophobicContact CZ3-CG 4Å; W46-R53 VanDerWaalsContact CZ3-NE 3.3Å; Y48-R53 HydrophobicContact CD1-CB 4.44Å; Y48-R53 HydrophobicContact CE1-CB 3.92Å
54T85.8Confident85.3Confident58 Ų5875.7 Ų75.736%0.35637%0.371SS..EExtended strand (participates in β ladder)trans-109-73.6-176.256.30000112.5K47 I49 E52K47-T54 PolarHBondContact O-N 2.81Å; K47-T54 PolarHBondContact O-OG1 2.03Å; I49-T54 HydrophobicContact CB-CG2 4.02Å; I49-T54 HydrophobicContact CD1-CG2 4.16Å; I49-T54 HydrophobicContact CG1-CG2 4.06Å; E52-T54 PolarHBondContact O-N 3.05Å
55V85.6Confident85.6Confident51 Ų5180.6 Ų80.631%0.30939%0.393SS..EExtended strand (participates in β ladder)trans-133.3150.8-176.4-64.90000111.1W46 K47 I57W46-V55 VanDerWaalsContact CZ3-C 3.42Å; K47-V55 HydrophobicContact CB-CG2 4.15Å; K47-V55 HydrophobicContact CD-CG2 4.37Å; K47-V55 PolarHBondContact N-O 3.38Å; V55-I57 HydrophobicContact CG2-CG2 4.36Å
56A86.8Confident85.8Confident2 Ų280 Ų802%0.01740%0.396CS..EExtended strand (participates in β ladder)trans-62.8134.5167.900000109.2V44 W46 F69 D87 V90V44-A56 HydrophobicContact CG1-CB 3.37Å; W46-A56 HydrophobicContact CH2-CB 3.98Å; W46-A56 HydrophobicContact CZ3-CB 4.05Å; A56-F69 HydrophobicContact CB-CZ 3.83Å; A56-F69 WeakPolarHBondContact O-CE2 3.39Å; A56-D87 WeakPolarHBondContact CB-O 3.49Å; A56-D87 PolarHBondContact N-O 2.84Å; A56-V90 HydrophobicContact CB-CG1 3.79Å
57I90.6Very high86Confident54 Ų5479.7 Ų79.728%0.27740%0.396SS..EExtended strand (participates in β ladder)trans-122.1-3.4174.154.7169.9000112.6Y45 K47 V55 F69Y45-I57 HydrophobicContact CD1-CD1 3.85Å; Y45-I57 HydrophobicContact CD1-CG1 3.73Å; Y45-I57 HydrophobicContact CD2-CD1 4.44Å; Y45-I57 HydrophobicContact CE1-CD1 3.58Å; Y45-I57 HydrophobicContact CE1-CG1 4.01Å; Y45-I57 HydrophobicContact CE2-CD1 4.19Å; Y45-I57 HydrophobicContact CG-CD1 4.27Å; Y45-I57 HydrophobicContact CG-CG1 4Å; Y45-I57 WeakPolarHBondContact O-CG1 3.25Å; Y45-I57 PolarHBondContact O-N 2.81Å; K47-I57 HydrophobicContact CB-CD1 4.26Å; K47-I57 HydrophobicContact CB-CG2 3.74Å; V55-I57 HydrophobicContact CG2-CG2 4.36Å; I57-F69 VanDerWaalsContact CA-CE2 3.4Å; I57-F69 WeakPolarHBondContact O-CD2 3.35Å; I57-F69 PolarHBondContact O-N 2.75Å
58G91.7Very high86.3Confident0 Ų076.7 Ų76.70%039%0.39CS..EExtended strand (participates in β ladder)trans175.2-169.4-177.900000114Y45 L67 F69 C82Y45-G58 PolarHBondContact N-O 2.71Å; Y45-G58 PolarHBondContact O-N 2.87Å; G58-L67 CarbonylContact C-O 3.37Å; G58-L67 WeakPolarHBondContact CA-O 3.42Å; G58-F69 VanDerWaalsContact N-CZ 3.35Å; G58-C82 VanDerWaalsContact C-SG 3.6Å
59C90.7Very high86.8Confident1 Ų173.1 Ų73.11%0.00738%0.378CS..EExtended strand (participates in β ladder)trans-114153.3-177.9-52.40000110.2N66 L67 C82 V90 L92C59-N66 WeakPolarHBondContact O-CA 3.32Å; C59-L67 PolarHBondContact N-O 3.06Å; C59-L67 PolarHBondContact O-N 2.89Å; C59-C82 HydrophobicContact CB-CB 3.83Å; C59-C82 WeakPolarHBondContact CB-SG 3.28Å; C59-C82 PolarHBondContact N-SG 3.01Å; C59-C82 WeakPolarHBondContact SG-CA 3.39Å; C59-C82 WeakPolarHBondContact SG-CB 3.47Å; C59-C82 CovalentContact SG-SG 2.04Å; C59-C82 PolarHBondContact SG-SG 3.46Å; C59-V90 HydrophobicContact CB-CG2 4.18Å; C59-L92 HydrophobicContact CB-CD2 3.68Å; C59-L92 HydrophobicContact CB-CG 4.01Å
60V88.1Confident87.1Confident30 Ų3071.7 Ų71.718%0.18238%0.384CS..EExtended strand (participates in β ladder)trans-113.5121.2174.6-171.50000110.4R43 E65 N66R43-V60 HydrophobicContact CB-CB 4.49Å; R43-V60 PolarHBondContact NE-O 3.06Å; R43-V60 PolarHBondContact NH2-O 2.89Å; R43-V60 PolarHBondContact O-N 3.21Å; V60-E65 WeakPolarHBondContact CA-O 3.31Å; V60-N66 WeakPolarHBondContact CG2-OD1 3.27Å
61L84.7Confident87.5Confident9 Ų966.8 Ų66.85%0.04737%0.365CS..  trans-73.8168.9179.6-67.5176.6000112.8R43 S63 G64 E65 L67 Y73 L92R43-L61 PolarHBondContact NH2-O 2.88Å; L61-S63 PolarHBondContact O-N 2.91Å; L61-G64 PolarHBondContact O-N 3.37Å; L61-E65 HydrophobicContact CB-CB 4.41Å; L61-E65 HydrophobicContact CD1-CB 4.12Å; L61-E65 PolarHBondContact N-O 3.48Å; L61-L67 HydrophobicContact CD1-CD1 3.92Å; L61-L67 HydrophobicContact CD1-CD2 4.37Å; L61-L67 HydrophobicContact CD1-CG 4.02Å; L61-L67 HydrophobicContact CD2-CD1 3.65Å; L61-L67 HydrophobicContact CG-CD1 3.78Å; L61-L67 HydrophobicContact CG-CG 4.11Å; L61-Y73 HydrophobicContact CD1-CD1 3.86Å; L61-Y73 HydrophobicContact CD1-CD2 3.27Å; L61-Y73 HydrophobicContact CD1-CE1 4Å; L61-Y73 HydrophobicContact CD1-CE2 3.42Å; L61-Y73 VanDerWaalsContact CD1-CE2 3.42Å; L61-Y73 HydrophobicContact CD1-CG 3.49Å; L61-Y73 VanDerWaalsContact CD1-CG 3.49Å; L61-Y73 HydrophobicContact CD2-CD1 3.67Å; L61-Y73 HydrophobicContact CD2-CE1 4.1Å; L61-Y73 HydrophobicContact CD2-CG 3.91Å; L61-Y73 HydrophobicContact CG-CD1 4.42Å; L61-Y73 HydrophobicContact CG-CG 4.35Å; L61-L92 HydrophobicContact CD2-CD1 4.02Å; L61-L92 HydrophobicContact CD2-CD2 4.42Å
62D80.3Confident88.2Confident145 Ų14561 Ų6178%0.77535%0.346SS*.THydrogen-bonded Turntrans-64.7-28.2-179.5-73.3-34.1000111.2R43 G64R43-D62 IonicContact CZ-OD1 3.91Å; R43-D62 IonicContact NH1-OD1 3.34Å; R43-D62 PolarHBondContact NH1-OD1 3.01Å; R43-D62 VanDerWaalsContact NH2-CA 3.28Å; R43-D62 IonicContact NH2-OD1 3.2Å; R43-D62 PolarHBondContact NH2-OD1 3.1Å; D62-G64 PolarHBondContact O-N 3.44Å
63S84.2Confident88.7Confident74 Ų7457.9 Ų57.952%0.51733%0.329SS..THydrogen-bonded Turntrans-69.1-13.2172.951.90000113.6L61 E65L61-S63 PolarHBondContact O-N 2.91Å; S63-E65 VanDerWaalsContact C-N 3.29Å; S63-E65 WeakPolarHBondContact OG-CB 3.41Å; S63-E65 WeakPolarHBondContact OG-CG 3.39Å; S63-E65 PolarHBondContact OG-N 2.87Å; S63-E65 PolarHBondContact OG-OE2 2.95Å
64G84.3Confident89.3Confident48 Ų4857.7 Ų57.750%0.49533%0.328SS..SBendtrans83.8-0.8-169.700000114.1L61 D62L61-G64 PolarHBondContact O-N 3.37Å; D62-G64 PolarHBondContact O-N 3.44Å
65E88.2Confident89.4Confident111 Ų11156.3 Ų56.352%0.51932%0.319SS..  trans-68.2146.3173.6-67.3167.6138.600111.1V60 L61 S63V60-E65 WeakPolarHBondContact CA-O 3.31Å; L61-E65 HydrophobicContact CB-CB 4.41Å; L61-E65 HydrophobicContact CD1-CB 4.12Å; L61-E65 PolarHBondContact N-O 3.48Å; S63-E65 VanDerWaalsContact C-N 3.29Å; S63-E65 WeakPolarHBondContact OG-CB 3.41Å; S63-E65 WeakPolarHBondContact OG-CG 3.39Å; S63-E65 PolarHBondContact OG-N 2.87Å; S63-E65 PolarHBondContact OG-OE2 2.95Å
66N91.1Very high89.5Confident81 Ų8158.9 Ų58.943%0.43334%0.337SS..EExtended strand (participates in β ladder)trans-100.5139.3-179.7-59.4-50.1000110.4Y45 C59 V60Y45-N66 HydrophobicContact CD1-CB 3.78Å; Y45-N66 HydrophobicContact CD2-CB 4.18Å; Y45-N66 HydrophobicContact CE1-CB 4.03Å; Y45-N66 HydrophobicContact CE2-CB 4.43Å; Y45-N66 HydrophobicContact CG-CB 3.88Å; C59-N66 WeakPolarHBondContact O-CA 3.32Å; V60-N66 WeakPolarHBondContact CG2-OD1 3.27Å
67L91Very high89.7Confident15 Ų1562.5 Ų62.58%0.07935%0.353CS..EExtended strand (participates in β ladder)trans-117.4129.8171.4-66.5169.1000109G58 C59 L61 E71 Y73 C82 L92G58-L67 CarbonylContact C-O 3.37Å; G58-L67 WeakPolarHBondContact CA-O 3.42Å; C59-L67 PolarHBondContact N-O 3.06Å; C59-L67 PolarHBondContact O-N 2.89Å; L61-L67 HydrophobicContact CD1-CD1 3.92Å; L61-L67 HydrophobicContact CD1-CD2 4.37Å; L61-L67 HydrophobicContact CD1-CG 4.02Å; L61-L67 HydrophobicContact CD2-CD1 3.65Å; L61-L67 HydrophobicContact CG-CD1 3.78Å; L61-L67 HydrophobicContact CG-CG 4.11Å; L67-E71 HydrophobicContact CB-CB 4.45Å; L67-E71 HydrophobicContact CD2-CB 4.27Å; L67-Y73 HydrophobicContact CD1-CG 4.47Å; L67-C82 HydrophobicContact CB-CB 4.01Å; L67-C82 HydrophobicContact CD1-CB 4.48Å; L67-L92 HydrophobicContact CD1-CD2 3.99Å
68A93.4Very high89.7Confident40 Ų4060.3 Ų60.333%0.33134%0.341SS..EExtended strand (participates in β ladder)trans-69.6159.916800000111G70 E71A68-G70 PolarHBondContact O-N 3.37Å; A68-E71 HydrophobicContact CB-CG 4.03Å; A68-E71 PolarHBondContact N-OE2 2.02Å; A68-E71 WeakPolarHBondContact O-CB 3.32Å; A68-E71 PolarHBondContact O-N 3.37Å; A68-E71 VanDerWaalsContact O-N 3.09Å
69F92.6Very high89.8Confident67 Ų6760.5 Ų60.529%0.29434%0.342SS..THydrogen-bonded Turntrans-59.6136173.8-62.2-47.9000111.8A56 I57 G58 E71 K84 V90A56-F69 HydrophobicContact CB-CZ 3.83Å; A56-F69 WeakPolarHBondContact O-CE2 3.39Å; I57-F69 VanDerWaalsContact CA-CE2 3.4Å; I57-F69 WeakPolarHBondContact O-CD2 3.35Å; I57-F69 PolarHBondContact O-N 2.75Å; G58-F69 VanDerWaalsContact N-CZ 3.35Å; F69-E71 PolarHBondContact O-N 2.77Å; F69-K84 HydrophobicContact CD1-CB 3.95Å; F69-K84 HydrophobicContact CD2-CB 4.17Å; F69-K84 HydrophobicContact CD2-CD 4.4Å; F69-K84 HydrophobicContact CE1-CB 3.69Å; F69-K84 HydrophobicContact CE1-CG 4.23Å; F69-K84 HydrophobicContact CE2-CB 3.89Å; F69-K84 HydrophobicContact CE2-CD 3.74Å; F69-K84 HydrophobicContact CE2-CG 3.95Å; F69-K84 HydrophobicContact CG-CB 4.2Å; F69-K84 HydrophobicContact CZ-CB 3.65Å; F69-K84 HydrophobicContact CZ-CD 4.02Å; F69-K84 HydrophobicContact CZ-CG 3.72Å; F69-V90 HydrophobicContact CE1-CB 4.23Å; F69-V90 HydrophobicContact CE1-CG1 3.57Å; F69-V90 HydrophobicContact CZ-CG1 3.84Å
70G92.9Very high89.8Confident56 Ų5660.7 Ų60.758%0.57734%0.343SS*.THydrogen-bonded Turntrans85.2-14-175.500000114.2A68 L81 C82A68-G70 PolarHBondContact O-N 3.37Å; G70-L81 WeakPolarHBondContact O-CD1 3.1Å; G70-C82 PolarHBondContact N-O 2.97Å
71E95.3Very high90Very high96 Ų9660.6 Ų60.645%0.44934%0.341SS..  trans-74.7151.4172.8-65.3-172.9146.300111.3L67 A68 F69 C82L67-E71 HydrophobicContact CB-CB 4.45Å; L67-E71 HydrophobicContact CD2-CB 4.27Å; A68-E71 HydrophobicContact CB-CG 4.03Å; A68-E71 PolarHBondContact N-OE2 2.02Å; A68-E71 WeakPolarHBondContact O-CB 3.32Å; A68-E71 PolarHBondContact O-N 3.37Å; A68-E71 VanDerWaalsContact O-N 3.09Å; F69-E71 PolarHBondContact O-N 2.77Å; E71-C82 PolarHBondContact O-N 2.76Å
72T93.8Very high90.3Very high76 Ų7660.1 Ų60.147%0.46634%0.339SS..EExtended strand (participates in β ladder)trans-114.6154.1179.762.30000111.6V79 L80 L81 I95T72-V79 HydrophobicContact CG2-CG1 4.28Å; T72-L80 CarbonylContact C-O 3.55Å; T72-L80 WeakPolarHBondContact CA-O 3.49Å; T72-L80 WeakPolarHBondContact CB-O 3Å; T72-L81 HydrophobicContact CG2-CB 4.47Å; T72-L81 HydrophobicContact CG2-CD1 3.76Å; T72-I95 HydrophobicContact CG2-CD1 4.04Å
73Y91.6Very high90.8Very high79 Ų7955.5 Ų55.531%0.3131%0.313SS..EExtended strand (participates in β ladder)trans-134.7134.3176.5177.4-103.4000111.3L61 L67 T75 V79 L80L61-Y73 HydrophobicContact CD1-CD1 3.86Å; L61-Y73 HydrophobicContact CD1-CD2 3.27Å; L61-Y73 HydrophobicContact CD1-CE1 4Å; L61-Y73 HydrophobicContact CD1-CE2 3.42Å; L61-Y73 VanDerWaalsContact CD1-CE2 3.42Å; L61-Y73 HydrophobicContact CD1-CG 3.49Å; L61-Y73 VanDerWaalsContact CD1-CG 3.49Å; L61-Y73 HydrophobicContact CD2-CD1 3.67Å; L61-Y73 HydrophobicContact CD2-CE1 4.1Å; L61-Y73 HydrophobicContact CD2-CG 3.91Å; L61-Y73 HydrophobicContact CG-CD1 4.42Å; L61-Y73 HydrophobicContact CG-CG 4.35Å; L67-Y73 HydrophobicContact CD1-CG 4.47Å; Y73-T75 HydrophobicContact CD1-CG2 4.01Å; Y73-T75 HydrophobicContact CE1-CG2 3.97Å; Y73-V79 WeakPolarHBondContact O-CA 3Å; Y73-L80 PolarHBondContact N-O 2.88Å; Y73-L80 PolarHBondContact O-N 3.35Å
74R92.4Very high91.1Very high118 Ų11856.5 Ų56.545%0.44531%0.308SS..EExtended strand (participates in β ladder)trans-94115.1179.9-58.9177.584.289.2-4.1109.4L98 G101 E103R74-L98 HydrophobicContact CB-CD1 4.03Å; R74-L98 HydrophobicContact CG-CD1 4.43Å; R74-G101 PolarHBondContact NH2-O 3.49Å; R74-E103 IonicContact CZ-OE1 3.29Å; R74-E103 IonicContact NH1-OE1 3.61Å; R74-E103 PolarHBondContact NH1-OE1 3.35Å; R74-E103 IonicContact NH2-OE1 2.68Å
75T88Confident91.3Very high29 Ų2958 Ų5818%0.17830%0.304CS..  trans-86.6177.4164.370.80000109.5Y73 F77 F78 L80 L98Y73-T75 HydrophobicContact CD1-CG2 4.01Å; Y73-T75 HydrophobicContact CE1-CG2 3.97Å; T75-F77 PolarHBondContact O-N 2.91Å; T75-F77 PolarHBondContact OG1-N 2.89Å; T75-F78 PolarHBondContact N-O 3.17Å; T75-F78 WeakPolarHBondContact OG1-CA 3.45Å; T75-F78 PolarHBondContact OG1-N 2.94Å; T75-F78 PolarHBondContact OG1-O 3.09Å; T75-L80 HydrophobicContact CG2-CD1 3.69Å; T75-L80 HydrophobicContact CG2-CG 3.93Å; T75-L98 WeakPolarHBondContact O-CD1 3.46Å
76P88Confident91.3Very high105 Ų10556.1 Ų56.168%0.68230%0.297SS*.SBendtrans-59.8-22.9172.4-27.637.1000114.9
77F90.1Very high91Very high78 Ų7856.6 Ų56.634%0.34230%0.3SS..SBendtrans-129.3-11.2-170.6-56-65000115.2Y32 T75 C97 L98Y32-F77 HydrophobicContact CD1-CD2 4.45Å; Y32-F77 HydrophobicContact CD1-CE2 4.12Å; Y32-F77 HydrophobicContact CD1-CZ 4.16Å; Y32-F77 HydrophobicContact CD2-CD1 4.34Å; Y32-F77 HydrophobicContact CD2-CE1 4.23Å; Y32-F77 HydrophobicContact CE1-CE1 4.45Å; Y32-F77 HydrophobicContact CE1-CE2 4.28Å; Y32-F77 AromaticContact CE1-CZ 3.97Å; Y32-F77 HydrophobicContact CE1-CZ 3.97Å; Y32-F77 HydrophobicContact CE2-CE1 4.17Å; Y32-F77 HydrophobicContact CE2-CZ 4.47Å; Y32-F77 HydrophobicContact CG-CD1 4.41Å; Y32-F77 HydrophobicContact CG-CE1 4.41Å; Y32-F77 HydrophobicContact CG-CG 4.48Å; Y32-F77 HydrophobicContact CG-CZ 4.48Å; T75-F77 PolarHBondContact O-N 2.91Å; T75-F77 PolarHBondContact OG1-N 2.89Å; F77-C97 CarbonylContact O-C 3.52Å; F77-C97 WeakPolarHBondContact O-CA 3.3Å; F77-L98 PolarHBondContact O-N 3.41Å
78F92.1Very high90.6Very high8 Ų859.5 Ų59.54%0.03532%0.318CS..EExtended strand (participates in β ladder)trans-149.7148.1-173.1-54.4-77.2000112Y34 T75 L80 P94 K96 C97 L98 I126Y34-F78 HydrophobicContact CD2-CD2 4.22Å; Y34-F78 HydrophobicContact CG-CD2 4.42Å; T75-F78 PolarHBondContact N-O 3.17Å; T75-F78 WeakPolarHBondContact OG1-CA 3.45Å; T75-F78 PolarHBondContact OG1-N 2.94Å; T75-F78 PolarHBondContact OG1-O 3.09Å; F78-L80 HydrophobicContact CB-CD2 4.09Å; F78-P94 HydrophobicContact CB-CB 4.41Å; F78-K96 WeakPolarHBondContact CA-O 3.45Å; F78-C97 HydrophobicContact CD1-CB 4.41Å; F78-L98 WeakPolarHBondContact O-CD1 3.41Å; F78-I126 HydrophobicContact CD1-CG2 3.93Å; F78-I126 HydrophobicContact CE1-CG2 3.97Å
79V92.8Very high90.3Very high4 Ų457.7 Ų57.72%0.02430%0.303CS..EExtended strand (participates in β ladder)trans-94.3120.9163-175.50000108.2T72 Y73 P94 I95 K96 L98 E103T72-V79 HydrophobicContact CG2-CG1 4.28Å; Y73-V79 WeakPolarHBondContact O-CA 3Å; V79-P94 CarbonylContact O-C 3.58Å; V79-P94 WeakPolarHBondContact O-CA 3.45Å; V79-I95 HydrophobicContact CB-CG1 4.2Å; V79-I95 HydrophobicContact CG1-CD1 4.1Å; V79-I95 HydrophobicContact CG1-CG1 4.06Å; V79-I95 WeakPolarHBondContact O-CG1 3.36Å; V79-I95 PolarHBondContact O-N 2.83Å; V79-K96 HydrophobicContact CB-CB 4.2Å; V79-K96 HydrophobicContact CG2-CB 4.26Å; V79-K96 PolarHBondContact N-O 2.85Å; V79-L98 HydrophobicContact CG2-CD1 3.91Å; V79-L98 HydrophobicContact CG2-CD2 3.82Å; V79-L98 HydrophobicContact CG2-CG 3.84Å; V79-E103 HydrophobicContact CG2-CG 3.96Å
80L90.1Very high90Very high5 Ų554.5 Ų54.53%0.02629%0.289CS..EExtended strand (participates in β ladder)trans-99.3140.3177.7-51.4-176.8000109.5Y34 T72 Y73 T75 F78 L92 R93 P94Y34-L80 HydrophobicContact CD1-CD2 4.32Å; Y34-L80 HydrophobicContact CD2-CD2 4.22Å; Y34-L80 HydrophobicContact CE1-CD2 4.04Å; Y34-L80 HydrophobicContact CE2-CD1 3.98Å; Y34-L80 HydrophobicContact CE2-CD2 3.95Å; Y34-L80 HydrophobicContact CG-CD2 4.39Å; T72-L80 CarbonylContact C-O 3.55Å; T72-L80 WeakPolarHBondContact CA-O 3.49Å; T72-L80 WeakPolarHBondContact CB-O 3Å; Y73-L80 PolarHBondContact N-O 2.88Å; Y73-L80 PolarHBondContact O-N 3.35Å; T75-L80 HydrophobicContact CG2-CD1 3.69Å; T75-L80 HydrophobicContact CG2-CG 3.93Å; F78-L80 HydrophobicContact CB-CD2 4.09Å; L80-L92 HydrophobicContact CB-CD2 4.49Å; L80-L92 HydrophobicContact CD1-CB 4.41Å; L80-R93 CarbonylContact C-O 3.57Å; L80-R93 WeakPolarHBondContact CA-O 3.41Å; L80-P94 HydrophobicContact CD2-CB 3.59Å
81L92.1Very high89.7Confident28 Ų2853 Ų5315%0.14727%0.268CS..EExtended strand (participates in β ladder)trans-109.9130.7172.4178.466.8000108.6G70 T72 E83 L92 R93 I95G70-L81 WeakPolarHBondContact O-CD1 3.1Å; T72-L81 HydrophobicContact CG2-CB 4.47Å; T72-L81 HydrophobicContact CG2-CD1 3.76Å; L81-E83 HydrophobicContact CD2-CG 3.83Å; L81-E83 WeakPolarHBondContact CD2-OE1 3.45Å; L81-E83 HydrophobicContact CG-CG 3.82Å; L81-L92 WeakPolarHBondContact O-CA 2.98Å; L81-R93 PolarHBondContact N-O 2.9Å; L81-R93 PolarHBondContact O-N 3.05Å; L81-I95 HydrophobicContact CB-CD1 4.26Å; L81-I95 HydrophobicContact CB-CG1 4.4Å; L81-I95 HydrophobicContact CB-CG2 3.7Å; L81-I95 HydrophobicContact CD2-CG2 4.02Å
82C91.3Very high89.3Confident0 Ų049.1 Ų49.10%025%0.25CC..EExtended strand (participates in β ladder)trans-81.3118.6172.7178.40000110.9G58 C59 L67 G70 E71 L92G58-C82 VanDerWaalsContact C-SG 3.6Å; C59-C82 HydrophobicContact CB-CB 3.83Å; C59-C82 WeakPolarHBondContact CB-SG 3.28Å; C59-C82 PolarHBondContact N-SG 3.01Å; C59-C82 WeakPolarHBondContact SG-CA 3.39Å; C59-C82 WeakPolarHBondContact SG-CB 3.47Å; C59-C82 CovalentContact SG-SG 2.04Å; C59-C82 PolarHBondContact SG-SG 3.46Å; L67-C82 HydrophobicContact CB-CB 4.01Å; L67-C82 HydrophobicContact CD1-CB 4.48Å; G70-C82 PolarHBondContact N-O 2.97Å; E71-C82 PolarHBondContact O-N 2.76Å; C82-L92 HydrophobicContact CB-CD2 4.21Å
83E90.9Very high89Confident48 Ų4850.1 Ų50.122%0.22425%0.245CC..EExtended strand (participates in β ladder)trans-123.9143.2-176.5-63.4-174.2127.900111.9L81 V90 L91 R93L81-E83 HydrophobicContact CD2-CG 3.83Å; L81-E83 WeakPolarHBondContact CD2-OE1 3.45Å; L81-E83 HydrophobicContact CG-CG 3.82Å; E83-V90 CarbonylContact O-C 3.45Å; E83-V90 WeakPolarHBondContact O-CA 3.44Å; E83-V90 WeakPolarHBondContact O-CB 3.4Å; E83-L91 PolarHBondContact N-O 2.77Å; E83-L91 PolarHBondContact O-N 2.78Å; E83-R93 VanDerWaalsContact CD-NE 3.32Å; E83-R93 IonicContact OE1-CZ 3.7Å; E83-R93 IonicContact OE1-NE 3.84Å; E83-R93 PolarHBondContact OE1-NE 2.05Å; E83-R93 IonicContact OE1-NH2 2.58Å; E83-R93 PolarHBondContact OE1-NH2 3.3Å; E83-R93 WeakPolarHBondContact OE2-CB 3.48Å; E83-R93 VanDerWaalsContact OE2-CD 3.23Å; E83-R93 WeakPolarHBondContact OE2-CD 3.31Å; E83-R93 IonicContact OE2-CZ 2.69Å; E83-R93 IonicContact OE2-NE 2.73Å; E83-R93 PolarHBondContact OE2-NE 2.85Å; E83-R93 IonicContact OE2-NH2 3.72Å
84K91Very high88.9Confident94 Ų9446.4 Ų46.441%0.40923%0.231SC..EExtended strand (participates in β ladder)trans-84.4122.6172.5-170.3177.1-179.6178.90109.1F69 N86 D87F69-K84 HydrophobicContact CD1-CB 3.95Å; F69-K84 HydrophobicContact CD2-CB 4.17Å; F69-K84 HydrophobicContact CD2-CD 4.4Å; F69-K84 HydrophobicContact CE1-CB 3.69Å; F69-K84 HydrophobicContact CE1-CG 4.23Å; F69-K84 HydrophobicContact CE2-CB 3.89Å; F69-K84 HydrophobicContact CE2-CD 3.74Å; F69-K84 HydrophobicContact CE2-CG 3.95Å; F69-K84 HydrophobicContact CG-CB 4.2Å; F69-K84 HydrophobicContact CZ-CB 3.65Å; F69-K84 HydrophobicContact CZ-CD 4.02Å; F69-K84 HydrophobicContact CZ-CG 3.72Å; K84-N86 VanDerWaalsContact CE-C 3.5Å; K84-N86 WeakPolarHBondContact CE-O 3.45Å; K84-N86 VanDerWaalsContact CG-O 3.25Å; K84-N86 WeakPolarHBondContact CG-O 3.47Å; K84-D87 VanDerWaalsContact CE-OD1 3.29Å; K84-D87 WeakPolarHBondContact CE-OD1 3.45Å; K84-D87 IonicContact NZ-OD1 2.68Å; K84-D87 PolarHBondContact NZ-OD1 2.84Å
85I88.3Confident88.8Confident80 Ų8042.9 Ų42.941%0.4122%0.22SC..SBendtrans-84.7-53169.2-68.2170.6000109V39 A89 L91V39-I85 HydrophobicContact CB-CD1 4.13Å; V39-I85 HydrophobicContact CG1-CD1 3.68Å; V39-I85 HydrophobicContact CG2-CD1 3.67Å; I85-A89 HydrophobicContact CB-CB 4.38Å; I85-A89 PolarHBondContact N-O 2.8Å; I85-L91 HydrophobicContact CD1-CB 3.72Å; I85-L91 HydrophobicContact CG1-CB 3.96Å
86N87.5Confident89.1Confident71 Ų7143.6 Ų43.638%0.3822%0.221SC..SBendtrans-152.2-169.2176.961.439.8000109.2K84 T88 A89K84-N86 VanDerWaalsContact CE-C 3.5Å; K84-N86 WeakPolarHBondContact CE-O 3.45Å; K84-N86 VanDerWaalsContact CG-O 3.25Å; K84-N86 WeakPolarHBondContact CG-O 3.47Å; N86-T88 PolarHBondContact O-N 2.83Å; N86-T88 WeakPolarHBondContact OD1-CA 3.22Å; N86-T88 PolarHBondContact OD1-N 3.39Å; N86-T88 PolarHBondContact OD1-OG1 3.26Å; N86-A89 PolarHBondContact N-O 2.89Å; N86-A89 WeakPolarHBondContact OD1-CB 3.47Å; N86-A89 PolarHBondContact OD1-N 3.32Å
87D85.9Confident89.4Confident92 Ų9238.6 Ų38.649%0.49219%0.189SC..SBendtrans-67.4-21.6-178.3-68.6-31.2000113.9W46 A56 K84W46-D87 WeakPolarHBondContact CZ3-O 3.46Å; A56-D87 WeakPolarHBondContact CB-O 3.49Å; A56-D87 PolarHBondContact N-O 2.84Å; K84-D87 VanDerWaalsContact CE-OD1 3.29Å; K84-D87 WeakPolarHBondContact CE-OD1 3.45Å; K84-D87 IonicContact NZ-OD1 2.68Å; K84-D87 PolarHBondContact NZ-OD1 2.84Å
88T83.3Confident89.6Confident76 Ų7635.1 Ų35.147%0.46617%0.173SC..SBendtrans-107.8-16.6-175.556.90000114.5W46 N86W46-T88 WeakPolarHBondContact CH2-O 3.37Å; N86-T88 PolarHBondContact O-N 2.83Å; N86-T88 WeakPolarHBondContact OD1-CA 3.22Å; N86-T88 PolarHBondContact OD1-N 3.39Å; N86-T88 PolarHBondContact OD1-OG1 3.26Å
89A85.4Confident89.5Confident1 Ų135.7 Ų35.71%0.00818%0.176CC..  trans-134.9144.3-169.700000112.9V39 E41 I85 N86V39-A89 HydrophobicContact CG1-CB 3.82Å; E41-A89 HydrophobicContact CG-CB 4.23Å; I85-A89 HydrophobicContact CB-CB 4.38Å; I85-A89 PolarHBondContact N-O 2.8Å; N86-A89 PolarHBondContact N-O 2.89Å; N86-A89 WeakPolarHBondContact OD1-CB 3.47Å; N86-A89 PolarHBondContact OD1-N 3.32Å
90V87.7Confident89.3Confident1 Ų142.5 Ų42.51%0.00621%0.213CC..EExtended strand (participates in β ladder)trans-130.7164.6-179.7-50.60000110.9Q40 V44 A56 C59 F69 E83Q40-V90 HydrophobicContact CB-CG2 4.18Å; Q40-V90 PolarHBondContact N-O 3.32Å; Q40-V90 PolarHBondContact O-N 3.33Å; Q40-V90 VanDerWaalsContact O-N 3.13Å; V44-V90 HydrophobicContact CB-CG1 4.38Å; V44-V90 HydrophobicContact CB-CG2 4.4Å; V44-V90 HydrophobicContact CG1-CG1 3.67Å; V44-V90 HydrophobicContact CG2-CB 4.44Å; V44-V90 HydrophobicContact CG2-CG1 4.07Å; V44-V90 HydrophobicContact CG2-CG2 3.8Å; A56-V90 HydrophobicContact CB-CG1 3.79Å; C59-V90 HydrophobicContact CB-CG2 4.18Å; F69-V90 HydrophobicContact CE1-CB 4.23Å; F69-V90 HydrophobicContact CE1-CG1 3.57Å; F69-V90 HydrophobicContact CZ-CG1 3.84Å; E83-V90 CarbonylContact O-C 3.45Å; E83-V90 WeakPolarHBondContact O-CA 3.44Å; E83-V90 WeakPolarHBondContact O-CB 3.4Å
91L86.7Confident89.2Confident24 Ų2444.5 Ų44.513%0.12623%0.234CC..EExtended strand (participates in β ladder)trans-134.4133177.8-175.861.3000110.7Y36 E83 I85 R93Y36-L91 WeakPolarHBondContact O-CD1 3.36Å; E83-L91 PolarHBondContact N-O 2.77Å; E83-L91 PolarHBondContact O-N 2.78Å; I85-L91 HydrophobicContact CD1-CB 3.72Å; I85-L91 HydrophobicContact CG1-CB 3.96Å; L91-R93 HydrophobicContact CD2-CB 4.17Å; L91-R93 HydrophobicContact CG-CB 4.27Å; L91-R93 PolarHBondContact O-N 2.94Å
92L86.6Confident89.2Confident14 Ų1449.9 Ų49.97%0.07326%0.259CS..EExtended strand (participates in β ladder)trans-9195.1162.4-73.4171000107.8C59 L61 L67 L80 L81 C82C59-L92 HydrophobicContact CB-CD2 3.68Å; C59-L92 HydrophobicContact CB-CG 4.01Å; L61-L92 HydrophobicContact CD2-CD1 4.02Å; L61-L92 HydrophobicContact CD2-CD2 4.42Å; L67-L92 HydrophobicContact CD1-CD2 3.99Å; L80-L92 HydrophobicContact CB-CD2 4.49Å; L80-L92 HydrophobicContact CD1-CB 4.41Å; L81-L92 WeakPolarHBondContact O-CA 2.98Å; C82-L92 HydrophobicContact CB-CD2 4.21Å
93R87.7Confident89.4Confident98 Ų9854.2 Ų54.237%0.3728%0.279SS..EExtended strand (participates in β ladder)trans-90.1123.7-178.7-174.6170.763.3157.1-0.8109.7L80 L81 E83 L91 I95L80-R93 CarbonylContact C-O 3.57Å; L80-R93 WeakPolarHBondContact CA-O 3.41Å; L81-R93 PolarHBondContact N-O 2.9Å; L81-R93 PolarHBondContact O-N 3.05Å; E83-R93 VanDerWaalsContact CD-NE 3.32Å; E83-R93 IonicContact OE1-CZ 3.7Å; E83-R93 IonicContact OE1-NE 3.84Å; E83-R93 PolarHBondContact OE1-NE 2.05Å; E83-R93 IonicContact OE1-NH2 2.58Å; E83-R93 PolarHBondContact OE1-NH2 3.3Å; E83-R93 WeakPolarHBondContact OE2-CB 3.48Å; E83-R93 VanDerWaalsContact OE2-CD 3.23Å; E83-R93 WeakPolarHBondContact OE2-CD 3.31Å; E83-R93 IonicContact OE2-CZ 2.69Å; E83-R93 IonicContact OE2-NE 2.73Å; E83-R93 PolarHBondContact OE2-NE 2.85Å; E83-R93 IonicContact OE2-NH2 3.72Å; L91-R93 HydrophobicContact CD2-CB 4.17Å; L91-R93 HydrophobicContact CG-CB 4.27Å; L91-R93 PolarHBondContact O-N 2.94Å; R93-I95 PolarHBondContact O-N 2.84Å
94P88.3Confident89.6Confident1 Ų152.5 Ų52.51%0.00627%0.271CS..EExtended strand (participates in β ladder)trans-74.1123173.236.2-39.1000109.5Y34 Y36 F78 V79 L80 I126Y34-P94 HydrophobicContact CD1-CB 4.01Å; Y34-P94 HydrophobicContact CD1-CG 3.6Å; Y34-P94 HydrophobicContact CE1-CG 4.3Å; Y34-P94 HydrophobicContact CG-CB 4.32Å; Y34-P94 HydrophobicContact CG-CG 4.25Å; Y36-P94 HydrophobicContact CD1-CG 4.35Å; F78-P94 HydrophobicContact CB-CB 4.41Å; V79-P94 CarbonylContact O-C 3.58Å; V79-P94 WeakPolarHBondContact O-CA 3.45Å; L80-P94 HydrophobicContact CD2-CB 3.59Å; P94-I126 HydrophobicContact CB-CG2 3.39Å; P94-I126 HydrophobicContact CG-CB 4.21Å; P94-I126 HydrophobicContact CG-CG2 3.17Å
95I90.8Very high89.7Confident44 Ų4453 Ų5323%0.22628%0.275CS..EExtended strand (participates in β ladder)trans-102.6-27-175.454.8165.3000112.5T72 V79 L81 R93 K106T72-I95 HydrophobicContact CG2-CD1 4.04Å; V79-I95 HydrophobicContact CB-CG1 4.2Å; V79-I95 HydrophobicContact CG1-CD1 4.1Å; V79-I95 HydrophobicContact CG1-CG1 4.06Å; V79-I95 WeakPolarHBondContact O-CG1 3.36Å; V79-I95 PolarHBondContact O-N 2.83Å; L81-I95 HydrophobicContact CB-CD1 4.26Å; L81-I95 HydrophobicContact CB-CG1 4.4Å; L81-I95 HydrophobicContact CB-CG2 3.7Å; L81-I95 HydrophobicContact CD2-CG2 4.02Å; R93-I95 PolarHBondContact O-N 2.84Å; I95-K106 WeakPolarHBondContact O-CE 3.23Å
96K93.5Very high89.8Confident44 Ų4453.1 Ų53.119%0.19127%0.273CS..EExtended strand (participates in β ladder)trans-144.7155.4-179.2-61.4-172.9-172.8-169.60110.6F78 V79 E103 M104 E105F78-K96 WeakPolarHBondContact CA-O 3.45Å; V79-K96 HydrophobicContact CB-CB 4.2Å; V79-K96 HydrophobicContact CG2-CB 4.26Å; V79-K96 PolarHBondContact N-O 2.85Å; K96-E103 HydrophobicContact CD-CB 4.13Å; K96-E103 HydrophobicContact CD-CG 4.31Å; K96-E103 VanDerWaalsContact CD-OE2 3.22Å; K96-E103 WeakPolarHBondContact CD-OE2 3.45Å; K96-E103 WeakPolarHBondContact CE-OE2 3.32Å; K96-E103 IonicContact NZ-OE2 3.14Å; K96-E103 PolarHBondContact NZ-OE2 2.82Å; K96-M104 WeakPolarHBondContact CB-O 3.05Å; K96-E105 WeakPolarHBondContact CE-OE1 3.28Å; K96-E105 IonicContact NZ-OE1 2.63Å; K96-E105 PolarHBondContact NZ-OE1 3.02Å
97C95.4Very high90Very high0 Ų052.5 Ų52.50%028%0.283CS..EExtended strand (participates in β ladder)trans-88159.3166.3-52.90000110F77 F78 M104 C119 L128F77-C97 CarbonylContact O-C 3.52Å; F77-C97 WeakPolarHBondContact O-CA 3.3Å; F78-C97 HydrophobicContact CD1-CB 4.41Å; C97-M104 HydrophobicContact CB-CB 4.19Å; C97-M104 PolarHBondContact N-O 3.4Å; C97-M104 VanDerWaalsContact N-O 3.11Å; C97-M104 PolarHBondContact O-N 3.07Å; C97-C119 HydrophobicContact CB-CB 3.6Å; C97-C119 WeakPolarHBondContact CB-SG 3.32Å; C97-C119 PolarHBondContact N-SG 2.82Å; C97-C119 WeakPolarHBondContact SG-CA 3.44Å; C97-C119 WeakPolarHBondContact SG-CB 3.48Å; C97-C119 CovalentContact SG-SG 2.04Å; C97-C119 PolarHBondContact SG-SG 3.15Å; C97-L128 HydrophobicContact CB-CB 4.47Å; C97-L128 HydrophobicContact CB-CD1 4.02Å
98L94Very high90.5Very high4 Ų450 Ų502%0.02127%0.272CS..EExtended strand (participates in β ladder)trans-121.5130.2171.8-69.3168.9000108.9R74 T75 F77 F78 V79 E102 E103R74-L98 HydrophobicContact CB-CD1 4.03Å; R74-L98 HydrophobicContact CG-CD1 4.43Å; T75-L98 WeakPolarHBondContact O-CD1 3.46Å; F77-L98 PolarHBondContact O-N 3.41Å; F78-L98 WeakPolarHBondContact O-CD1 3.41Å; V79-L98 HydrophobicContact CG2-CD1 3.91Å; V79-L98 HydrophobicContact CG2-CD2 3.82Å; V79-L98 HydrophobicContact CG2-CG 3.84Å; L98-E102 VanDerWaalsContact CA-O 3.29Å; L98-E102 WeakPolarHBondContact CA-O 3.48Å; L98-E103 HydrophobicContact CD2-CB 4.35Å; L98-E103 HydrophobicContact CD2-CG 3.62Å
99M90.9Very high91Very high20 Ų2049.7 Ų49.710%0.09927%0.274CS..EExtended strand (participates in β ladder)trans-127.6119173.9-175.658161.100109.5G101 E102 M104 V110 T112 Y117 L128M99-G101 PolarHBondContact O-N 2.75Å; M99-G101 VanDerWaalsContact O-N 3.13Å; M99-E102 PolarHBondContact N-O 3.44Å; M99-E102 PolarHBondContact O-N 2.92Å; M99-M104 HydrophobicContact CB-CG 4.35Å; M99-M104 HydrophobicContact CB-SD 3.44Å; M99-M104 WeakPolarHBondContact CB-SD 3.15Å; M99-M104 HydrophobicContact CG-SD 4.38Å; M99-V110 HydrophobicContact CB-CG1 4.12Å; M99-V110 HydrophobicContact CG-CG1 3.73Å; M99-T112 HydrophobicContact CE-CG2 3.53Å; M99-Y117 HydrophobicContact CE-CD1 3.9Å; M99-Y117 HydrophobicContact CE-CD2 3.26Å; M99-Y117 HydrophobicContact CE-CE1 3.89Å; M99-Y117 HydrophobicContact CE-CE2 3.25Å; M99-Y117 HydrophobicContact CE-CG 3.54Å; M99-Y117 HydrophobicContact SD-CG 4.44Å; M99-L128 HydrophobicContact CB-CD1 4.46Å; M99-L128 HydrophobicContact CB-CD2 4.48Å; M99-L128 HydrophobicContact SD-CD2 3.72Å
100N87.4Confident91.5Very high148 Ų14851.8 Ų51.879%0.79129%0.286SS*.THydrogen-bonded Turntrans50.134.9-173-59.2-30.9000113.2E102N100-E102 VanDerWaalsContact C-N 3.33Å; N100-E102 PolarHBondContact O-N 3.02Å
101G87.9Confident91.8Very high46 Ų4655.9 Ų55.947%0.47431%0.307SS..THydrogen-bonded Turntrans86.1-10.4-179.400000115.5R74 M99R74-G101 PolarHBondContact NH2-O 3.49Å; M99-G101 PolarHBondContact O-N 2.75Å; M99-G101 VanDerWaalsContact O-N 3.13Å
102E93.4Very high92Very high142 Ų14256.5 Ų56.566%0.66431%0.312SS*.EExtended strand (participates in β ladder)trans-88.2139.6177.8-65.7-175.9168.500111.8L98 M99 N100L98-E102 VanDerWaalsContact CA-O 3.29Å; L98-E102 WeakPolarHBondContact CA-O 3.48Å; M99-E102 PolarHBondContact N-O 3.44Å; M99-E102 PolarHBondContact O-N 2.92Å; N100-E102 VanDerWaalsContact C-N 3.33Å; N100-E102 PolarHBondContact O-N 3.02Å
103E94.4Very high92.2Very high90 Ų9063.2 Ų63.242%0.42134%0.34SS..EExtended strand (participates in β ladder)trans-74.3133.4178-74.6179.8-151.500112.3R74 V79 K96 L98R74-E103 IonicContact CZ-OE1 3.29Å; R74-E103 IonicContact NH1-OE1 3.61Å; R74-E103 PolarHBondContact NH1-OE1 3.35Å; R74-E103 IonicContact NH2-OE1 2.68Å; V79-E103 HydrophobicContact CG2-CG 3.96Å; K96-E103 HydrophobicContact CD-CB 4.13Å; K96-E103 HydrophobicContact CD-CG 4.31Å; K96-E103 VanDerWaalsContact CD-OE2 3.22Å; K96-E103 WeakPolarHBondContact CD-OE2 3.45Å; K96-E103 WeakPolarHBondContact CE-OE2 3.32Å; K96-E103 IonicContact NZ-OE2 3.14Å; K96-E103 PolarHBondContact NZ-OE2 2.82Å; L98-E103 HydrophobicContact CD2-CB 4.35Å; L98-E103 HydrophobicContact CD2-CG 3.62Å
104M94.8Very high92.4Very high13 Ų1359.3 Ų59.36%0.06433%0.328CS..EExtended strand (participates in β ladder)trans-118.2123.1176.2-67-179.17000109.8K96 C97 M99 V110 C119 L128K96-M104 WeakPolarHBondContact CB-O 3.05Å; C97-M104 HydrophobicContact CB-CB 4.19Å; C97-M104 PolarHBondContact N-O 3.4Å; C97-M104 VanDerWaalsContact N-O 3.11Å; C97-M104 PolarHBondContact O-N 3.07Å; M99-M104 HydrophobicContact CB-CG 4.35Å; M99-M104 HydrophobicContact CB-SD 3.44Å; M99-M104 WeakPolarHBondContact CB-SD 3.15Å; M99-M104 HydrophobicContact CG-SD 4.38Å; M104-V110 HydrophobicContact CE-CB 4Å; M104-V110 HydrophobicContact CE-CG1 3.68Å; M104-V110 HydrophobicContact SD-CB 4.38Å; M104-V110 HydrophobicContact SD-CG1 3.73Å; M104-C119 HydrophobicContact CB-CB 4.2Å; M104-L128 HydrophobicContact CE-CD1 4.33Å; M104-L128 HydrophobicContact SD-CD1 3.72Å
105E94.1Very high92.8Very high104 Ų10459.7 Ų59.749%0.48633%0.329SS..  trans-65.3151.9171.3-62.7-56.6151.800110.9K96 G107 S108K96-E105 WeakPolarHBondContact CE-OE1 3.28Å; K96-E105 IonicContact NZ-OE1 2.63Å; K96-E105 PolarHBondContact NZ-OE1 3.02Å; E105-G107 PolarHBondContact O-N 3.08Å; E105-S108 PolarHBondContact N-OG 2.83Å; E105-S108 WeakPolarHBondContact O-CB 3.46Å; E105-S108 PolarHBondContact O-N 3.1Å; E105-S108 PolarHBondContact O-OG 2.58Å
106K90.4Very high93Very high83 Ų8358.2 Ų58.236%0.36132%0.322SS..THydrogen-bonded Turntrans-58.5136.2174-59.9-176.3-179-169.10110.3I95 S108 E121 I126I95-K106 WeakPolarHBondContact O-CE 3.23Å; K106-S108 PolarHBondContact O-N 3.28Å; K106-E121 WeakPolarHBondContact CD-OE2 3.39Å; K106-E121 WeakPolarHBondContact CE-OE2 3.2Å; K106-E121 IonicContact NZ-OE2 3.69Å; K106-E121 PolarHBondContact NZ-OE2 2.88Å; K106-I126 HydrophobicContact CD-CD1 4.35Å; K106-I126 HydrophobicContact CG-CD1 3.98Å
107G91.7Very high93.1Very high57 Ų5757.2 Ų57.259%0.58832%0.318SS*.THydrogen-bonded Turntrans79.6-13.1-173.700000114.6E105 C119E105-G107 PolarHBondContact O-N 3.08Å; G107-C119 WeakPolarHBondContact CA-O 3.28Å; G107-C119 PolarHBondContact N-O 2.89Å
108S95.6Very high93.2Very high40 Ų4057.4 Ų57.428%0.2832%0.319SS..  trans-72.8158.8176.775.50000111.9E105 K106 S118 C119E105-S108 PolarHBondContact N-OG 2.83Å; E105-S108 WeakPolarHBondContact O-CB 3.46Å; E105-S108 PolarHBondContact O-N 3.1Å; E105-S108 PolarHBondContact O-OG 2.58Å; K106-S108 PolarHBondContact O-N 3.28Å; S108-S118 WeakPolarHBondContact O-CA 3.06Å; S108-C119 PolarHBondContact O-N 2.8Å
109S95.5Very high93.2Very high70 Ų7057.2 Ų57.249%0.4932%0.318SS..EExtended strand (participates in β ladder)trans-135.9146.5177.3-57.80000111.3Y117 S118S109-Y117 CarbonylContact C-O 3.58Å; S109-Y117 WeakPolarHBondContact CA-O 3.23Å; S109-Y117 WeakPolarHBondContact CB-O 3.31Å; S109-S118 WeakPolarHBondContact OG-CB 3.03Å; S109-S118 PolarHBondContact OG-OG 3.09Å
110V94.8Very high93.4Very high44 Ų4459.6 Ų59.627%0.26733%0.331SS..EExtended strand (participates in β ladder)trans-124.3134.7174.868.10000110.1M99 M104 Y117M99-V110 HydrophobicContact CB-CG1 4.12Å; M99-V110 HydrophobicContact CG-CG1 3.73Å; M104-V110 HydrophobicContact CE-CB 4Å; M104-V110 HydrophobicContact CE-CG1 3.68Å; M104-V110 HydrophobicContact SD-CB 4.38Å; M104-V110 HydrophobicContact SD-CG1 3.73Å; V110-Y117 PolarHBondContact N-O 2.85Å; V110-Y117 PolarHBondContact O-N 2.85Å
111I94Very high93.4Very high88 Ų8857.1 Ų57.145%0.45132%0.315SS..EExtended strand (participates in β ladder)trans-93.4115.4179.1-59.5168.7000107.6V116 V134 L140I111-V116 HydrophobicContact CG1-CG2 4.4Å; I111-V134 HydrophobicContact CG2-CG1 4.26Å; I111-V134 HydrophobicContact CG2-CG2 3.78Å; I111-L140 HydrophobicContact CD1-CD1 3.97Å; I111-L140 HydrophobicContact CD1-CD2 4.09Å; I111-L140 HydrophobicContact CG1-CD2 4.29Å; I111-L140 HydrophobicContact CG2-CD2 4.12Å
112T91.7Very high93.2Very high37 Ų3761.7 Ų61.723%0.22732%0.321CS..  trans-91.6-174.2170.6690000110.4M99 S114 F115 Y117M99-T112 HydrophobicContact CE-CG2 3.53Å; T112-S114 PolarHBondContact O-N 3.03Å; T112-S114 PolarHBondContact OG1-N 2.79Å; T112-F115 PolarHBondContact N-O 2.86Å; T112-F115 PolarHBondContact OG1-N 3.03Å; T112-F115 PolarHBondContact OG1-O 3.43Å; T112-Y117 HydrophobicContact CG2-CD2 3.69Å; T112-Y117 HydrophobicContact CG2-CE2 3.8Å
113K90.4Very high92.5Very high155 Ų15562.8 Ų62.867%0.67433%0.326SS*.SBendtrans-58-29.9174.6-172.6179.6-178.31780113.6
114S91.9Very high91.6Very high15 Ų1559.1 Ų59.111%0.10531%0.313CS..SBendtrans-129.9-28.1-165.3-57.40000113.7E27 T112 V134 H165E27-S114 WeakPolarHBondContact OE2-CB 3.44Å; E27-S114 PolarHBondContact OE2-OG 2.83Å; T112-S114 PolarHBondContact O-N 3.03Å; T112-S114 PolarHBondContact OG1-N 2.79Å; S114-V134 PolarHBondContact O-N 2.96Å; S114-H165 PolarHBondContact O-CE1 3.13Å; S114-H165 PolarHBondContact O-NE2 3.02Å
115F95.7Very high91.1Very high9 Ų964.3 Ų64.34%0.03933%0.332CS..EExtended strand (participates in β ladder)trans-139.5152.1-172.4-61.1-75.9000111.4E27 T112 Y117 I130 G132 V163 H165E27-F115 HydrophobicContact CB-CE2 4.44Å; E27-F115 HydrophobicContact CB-CZ 4.31Å; T112-F115 PolarHBondContact N-O 2.86Å; T112-F115 PolarHBondContact OG1-N 3.03Å; T112-F115 PolarHBondContact OG1-O 3.43Å; F115-Y117 HydrophobicContact CB-CD2 4.04Å; F115-Y117 HydrophobicContact CB-CE2 3.64Å; F115-I130 HydrophobicContact CB-CG1 4.5Å; F115-I130 HydrophobicContact CB-CG2 3.9Å; F115-I130 HydrophobicContact CD1-CD1 4.49Å; F115-I130 HydrophobicContact CD1-CG2 3.69Å; F115-I130 HydrophobicContact CG-CD1 4.47Å; F115-I130 HydrophobicContact CG-CG2 4.11Å; F115-G132 WeakPolarHBondContact CA-O 3.46Å; F115-V163 HydrophobicContact CD1-CB 4.48Å; F115-V163 HydrophobicContact CD1-CG1 4.17Å; F115-V163 HydrophobicContact CE1-CB 4.24Å; F115-V163 HydrophobicContact CE1-CG1 3.98Å; F115-V163 WeakPolarHBondContact CE1-O 3.14Å; F115-V163 WeakPolarHBondContact CZ-O 3.44Å; F115-H165 AromaticContact CD1-NE2 3.76Å; F115-H165 AromaticContact CE1-CD2 3.43Å; F115-H165 VanDerWaalsContact CE1-CD2 3.43Å; F115-H165 WeakPolarHBondContact CE1-CD2 3.24Å; F115-H165 AromaticContact CE1-NE2 3.36Å; F115-H165 WeakPolarHBondContact CE1-NE2 3.4Å; F115-H165 AromaticContact CZ-CD2 3.71Å; F115-H165 AromaticContact CZ-NE2 3.65Å
116V96.7Very high90.9Very high13 Ų1359.3 Ų59.38%0.07931%0.309CS..EExtended strand (participates in β ladder)trans-94.6119.3166.6-173.50000107.2I111 I130 T131 G132 V134 L140I111-V116 HydrophobicContact CG1-CG2 4.4Å; V116-I130 CarbonylContact O-C 3.57Å; V116-I130 WeakPolarHBondContact O-CA 2.93Å; V116-T131 PolarHBondContact O-N 2.88Å; V116-T131 PolarHBondContact O-OG1 3.17Å; V116-G132 PolarHBondContact N-O 2.69Å; V116-V134 HydrophobicContact CG2-CG2 3.99Å; V116-L140 HydrophobicContact CG2-CD1 4.41Å; V116-L140 HydrophobicContact CG2-CD2 3.73Å
117Y95.4Very high90.8Very high24 Ų2455.4 Ų55.49%0.09429%0.291CS..EExtended strand (participates in β ladder)trans-102.7134.6174.6-71.8-99.2000109.1S29 M99 S109 V110 T112 F115 L128 V129 I130S29-Y117 PolarHBondContact OG-OH 2.78Å; M99-Y117 HydrophobicContact CE-CD1 3.9Å; M99-Y117 HydrophobicContact CE-CD2 3.26Å; M99-Y117 HydrophobicContact CE-CE1 3.89Å; M99-Y117 HydrophobicContact CE-CE2 3.25Å; M99-Y117 HydrophobicContact CE-CG 3.54Å; M99-Y117 HydrophobicContact SD-CG 4.44Å; S109-Y117 CarbonylContact C-O 3.58Å; S109-Y117 WeakPolarHBondContact CA-O 3.23Å; S109-Y117 WeakPolarHBondContact CB-O 3.31Å; V110-Y117 PolarHBondContact N-O 2.85Å; V110-Y117 PolarHBondContact O-N 2.85Å; T112-Y117 HydrophobicContact CG2-CD2 3.69Å; T112-Y117 HydrophobicContact CG2-CE2 3.8Å; F115-Y117 HydrophobicContact CB-CD2 4.04Å; F115-Y117 HydrophobicContact CB-CE2 3.64Å; Y117-L128 HydrophobicContact CD1-CD1 4.49Å; Y117-L128 HydrophobicContact CD1-CD2 4.15Å; Y117-L128 HydrophobicContact CD1-CG 3.93Å; Y117-V129 CarbonylContact C-O 3.57Å; Y117-V129 WeakPolarHBondContact CA-O 3.19Å; Y117-I130 HydrophobicContact CD1-CG1 3.75Å; Y117-I130 HydrophobicContact CE1-CD1 4.06Å; Y117-I130 HydrophobicContact CE1-CG1 3.52Å; Y117-I130 HydrophobicContact CE2-CG1 4.49Å; Y117-I130 HydrophobicContact CG-CG1 4.39Å
118S96.1Very high90.8Very high4 Ų452.7 Ų52.73%0.02826%0.264CS..EExtended strand (participates in β ladder)trans-124.7138.6179.1-55.80000109.4S108 S109 L120 V129 T131S108-S118 WeakPolarHBondContact O-CA 3.06Å; S109-S118 WeakPolarHBondContact OG-CB 3.03Å; S109-S118 PolarHBondContact OG-OG 3.09Å; S118-L120 PolarHBondContact O-N 2.83Å; S118-V129 PolarHBondContact N-O 3.33Å; S118-V129 PolarHBondContact O-N 3.38Å; S118-T131 WeakPolarHBondContact OG-CG2 3.41Å; S118-T131 PolarHBondContact OG-OG1 3.14Å
119C95.3Very high90.7Very high0 Ų051.8 Ų51.80%026%0.256CS..EExtended strand (participates in β ladder)trans-86.899.8172.1-172.10000108.8C97 M104 G107 S108 G127C97-C119 HydrophobicContact CB-CB 3.6Å; C97-C119 WeakPolarHBondContact CB-SG 3.32Å; C97-C119 PolarHBondContact N-SG 2.82Å; C97-C119 WeakPolarHBondContact SG-CA 3.44Å; C97-C119 WeakPolarHBondContact SG-CB 3.48Å; C97-C119 CovalentContact SG-SG 2.04Å; C97-C119 PolarHBondContact SG-SG 3.15Å; M104-C119 HydrophobicContact CB-CB 4.2Å; G107-C119 WeakPolarHBondContact CA-O 3.28Å; G107-C119 PolarHBondContact N-O 2.89Å; S108-C119 PolarHBondContact O-N 2.8Å; C119-G127 CarbonylContact C-O 3.51Å; C119-G127 WeakPolarHBondContact CA-O 3.41Å
120L93.6Very high90.6Very high69 Ų6948.6 Ų48.636%0.36123%0.234SC..EExtended strand (participates in β ladder)trans-114.6143.1-173-60.4-178000111.5S118 I126 G127 V129 T131S118-L120 PolarHBondContact O-N 2.83Å; L120-I126 CarbonylContact O-C 3.55Å; L120-I126 WeakPolarHBondContact O-CA 3.32Å; L120-G127 PolarHBondContact N-O 2.04Å; L120-G127 PolarHBondContact O-N 3.04Å; L120-V129 HydrophobicContact CB-CG2 4.39Å; L120-V129 HydrophobicContact CD1-CB 4.27Å; L120-T131 HydrophobicContact CD1-CG2 3.81Å
121E88.8Confident90.6Very high97 Ų9748.8 Ų48.845%0.45324%0.235SC..EExtended strand (participates in β ladder)trans-107.7126172.2-171.1172.6157.100109.4Y36 K106 R125Y36-E121 PolarHBondContact OH-OE1 3.17Å; K106-E121 WeakPolarHBondContact CD-OE2 3.39Å; K106-E121 WeakPolarHBondContact CE-OE2 3.2Å; K106-E121 IonicContact NZ-OE2 3.69Å; K106-E121 PolarHBondContact NZ-OE2 2.88Å; E121-R125 CarbonylContact C-O 3.51Å; E121-R125 VanDerWaalsContact CA-O 3.32Å; E121-R125 WeakPolarHBondContact CA-O 3.44Å
122K83.3Confident90.8Very high142 Ų14244.8 Ų44.862%0.61722%0.215SC*.EExtended strand (participates in β ladder)trans-150.3130.9178.5-172.3175.9177.6-169.80110.4G124 R125K122-G124 PolarHBondContact O-N 3.46Å; K122-R125 PolarHBondContact N-O 2.88Å; K122-R125 WeakPolarHBondContact O-CB 3.5Å; K122-R125 PolarHBondContact O-N 3.15Å
123E79.2Confident91Very high164 Ų16443 Ų4377%0.76620%0.204SC*.THydrogen-bonded Turntrans49.953.7169.1-67.2168.2-155.800114.7R125E123-R125 VanDerWaalsContact C-N 3.26Å; E123-R125 PolarHBondContact O-N 3.42Å
124G75.6Confident91.3Very high14 Ų1435.8 Ų35.814%0.14417%0.173CC..THydrogen-bonded Turntrans82.55.4177.500000114Y36 K122Y36-G124 VanDerWaalsContact CD1-C 3.44Å; Y36-G124 WeakPolarHBondContact CD1-O 3.5Å; Y36-G124 WeakPolarHBondContact CE1-O 3.49Å; Y36-G124 VanDerWaalsContact CG-O 3.26Å; Y36-G124 PolarHBondContact N-O 2.99Å; Y36-G124 WeakPolarHBondContact OH-CA 3.49Å; Y36-G124 PolarHBondContact OH-N 2.93Å; K122-G124 PolarHBondContact O-N 3.46Å
125R83.6Confident91.3Very high121 Ų12135.6 Ų35.646%0.45717%0.173SC..EExtended strand (participates in β ladder)trans-134.8144-175.6-55.3-173169.8156.5-0.8111.6Y34 D35 Y36 E121 K122 E123Y34-R125 WeakPolarHBondContact O-CA 3.27Å; Y34-R125 WeakPolarHBondContact O-CB 3.36Å; D35-R125 HydrophobicContact CB-CG 4.28Å; D35-R125 IonicContact OD2-CZ 2.78Å; D35-R125 VanDerWaalsContact OD2-CZ 3.27Å; D35-R125 IonicContact OD2-NE 2.65Å; D35-R125 PolarHBondContact OD2-NE 3.05Å; D35-R125 IonicContact OD2-NH2 2.77Å; D35-R125 PolarHBondContact OD2-NH2 2.83Å; Y36-R125 VanDerWaalsContact CE1-N 3.25Å; E121-R125 CarbonylContact C-O 3.51Å; E121-R125 VanDerWaalsContact CA-O 3.32Å; E121-R125 WeakPolarHBondContact CA-O 3.44Å; K122-R125 PolarHBondContact N-O 2.88Å; K122-R125 WeakPolarHBondContact O-CB 3.5Å; K122-R125 PolarHBondContact O-N 3.15Å; E123-R125 VanDerWaalsContact C-N 3.26Å; E123-R125 PolarHBondContact O-N 3.42Å
126I89.3Confident91.1Very high0 Ų037.3 Ų37.30%018%0.183CC..EExtended strand (participates in β ladder)trans-104.5141.8162-164.7-177.6000108.2Y33 Y34 F78 P94 K106 L120Y33-I126 WeakPolarHBondContact CA-O 3.29Å; Y34-I126 PolarHBondContact N-O 2.81Å; Y34-I126 PolarHBondContact O-N 2.8Å; F78-I126 HydrophobicContact CD1-CG2 3.93Å; F78-I126 HydrophobicContact CE1-CG2 3.97Å; P94-I126 HydrophobicContact CB-CG2 3.39Å; P94-I126 HydrophobicContact CG-CB 4.21Å; P94-I126 HydrophobicContact CG-CG2 3.17Å; K106-I126 HydrophobicContact CD-CD1 4.35Å; K106-I126 HydrophobicContact CG-CD1 3.98Å; L120-I126 CarbonylContact O-C 3.55Å; L120-I126 WeakPolarHBondContact O-CA 3.32Å
127G89.5Confident90.7Very high0 Ų044.4 Ų44.40%022%0.22CC..EExtended strand (participates in β ladder)trans-141.2141.8-178.800000112.5Y32 C119 L120 V129Y32-G127 CarbonylContact O-C 3.55Å; Y32-G127 WeakPolarHBondContact O-CA 3.32Å; C119-G127 CarbonylContact C-O 3.51Å; C119-G127 WeakPolarHBondContact CA-O 3.41Å; L120-G127 PolarHBondContact N-O 2.04Å; L120-G127 PolarHBondContact O-N 3.04Å; G127-V129 PolarHBondContact O-N 3.15Å
128L91.3Very high90.5Very high1 Ų151 Ų511%0.00525%0.25CC..EExtended strand (participates in β ladder)trans-83.496.1161.1-171.871.1000107S31 Y32 C97 M99 M104 Y117S31-L128 WeakPolarHBondContact CA-O 3.41Å; Y32-L128 PolarHBondContact N-O 3.01Å; Y32-L128 PolarHBondContact O-N 2.86Å; C97-L128 HydrophobicContact CB-CB 4.47Å; C97-L128 HydrophobicContact CB-CD1 4.02Å; M99-L128 HydrophobicContact CB-CD1 4.46Å; M99-L128 HydrophobicContact CB-CD2 4.48Å; M99-L128 HydrophobicContact SD-CD2 3.72Å; M104-L128 HydrophobicContact CE-CD1 4.33Å; M104-L128 HydrophobicContact SD-CD1 3.72Å; Y117-L128 HydrophobicContact CD1-CD1 4.49Å; Y117-L128 HydrophobicContact CD1-CD2 4.15Å; Y117-L128 HydrophobicContact CD1-CG 3.93Å
129V92.9Very high90.4Very high20 Ų2054.9 Ų54.912%0.12127%0.273CS..EExtended strand (participates in β ladder)trans-106.9137.9-170.7-174.20000109.9Y33 Y117 S118 L120 G127 T131Y33-V129 HydrophobicContact CD1-CG2 4.44Å; Y33-V129 HydrophobicContact CE1-CG2 3.5Å; Y33-V129 WeakPolarHBondContact OH-CG2 3.48Å; Y117-V129 CarbonylContact C-O 3.57Å; Y117-V129 WeakPolarHBondContact CA-O 3.19Å; S118-V129 PolarHBondContact N-O 3.33Å; S118-V129 PolarHBondContact O-N 3.38Å; L120-V129 HydrophobicContact CB-CG2 4.39Å; L120-V129 HydrophobicContact CD1-CB 4.27Å; G127-V129 PolarHBondContact O-N 3.15Å; V129-T131 PolarHBondContact O-N 2.94Å
130I94.5Very high90.4Very high3 Ų359 Ų592%0.01530%0.295CS..EExtended strand (participates in β ladder)trans-79.3118.7170.7-60162.1000108.5S29 S31 F115 V116 Y117 G132 V163S29-I130 VanDerWaalsContact CB-CD1 3.45Å; S31-I130 PolarHBondContact OG-N 2.76Å; S31-I130 VanDerWaalsContact OG-N 3.15Å; F115-I130 HydrophobicContact CB-CG1 4.5Å; F115-I130 HydrophobicContact CB-CG2 3.9Å; F115-I130 HydrophobicContact CD1-CD1 4.49Å; F115-I130 HydrophobicContact CD1-CG2 3.69Å; F115-I130 HydrophobicContact CG-CD1 4.47Å; F115-I130 HydrophobicContact CG-CG2 4.11Å; V116-I130 CarbonylContact O-C 3.57Å; V116-I130 WeakPolarHBondContact O-CA 2.93Å; Y117-I130 HydrophobicContact CD1-CG1 3.75Å; Y117-I130 HydrophobicContact CE1-CD1 4.06Å; Y117-I130 HydrophobicContact CE1-CG1 3.52Å; Y117-I130 HydrophobicContact CE2-CG1 4.49Å; Y117-I130 HydrophobicContact CG-CG1 4.39Å; I130-G132 WeakPolarHBondContact CG2-O 3.5Å; I130-V163 HydrophobicContact CB-CB 3.99Å; I130-V163 HydrophobicContact CB-CG2 3.65Å; I130-V163 HydrophobicContact CD1-CB 4.01Å; I130-V163 HydrophobicContact CD1-CG2 4.28Å; I130-V163 HydrophobicContact CG2-CB 3.63Å; I130-V163 HydrophobicContact CG2-CG1 3.79Å; I130-V163 HydrophobicContact CG2-CG2 3.69Å
131T95Very high90.6Very high49 Ų4955.9 Ų55.930%0.30128%0.279SS..EExtended strand (participates in β ladder)trans-104.7-10.2-177.551.70000113.3V116 S118 L120 V129V116-T131 PolarHBondContact O-N 2.88Å; V116-T131 PolarHBondContact O-OG1 3.17Å; S118-T131 WeakPolarHBondContact OG-CG2 3.41Å; S118-T131 PolarHBondContact OG-OG1 3.14Å; L120-T131 HydrophobicContact CD1-CG2 3.81Å; V129-T131 PolarHBondContact O-N 2.94Å
132G96.7Very high91Very high3 Ų358.2 Ų58.23%0.03129%0.287CS..EExtended strand (participates in β ladder)trans-172.1175.3178.200000113.5F115 V116 I130 A141F115-G132 WeakPolarHBondContact CA-O 3.46Å; V116-G132 PolarHBondContact N-O 2.69Å; I130-G132 WeakPolarHBondContact CG2-O 3.5Å; G132-A141 CarbonylContact C-O 3.54Å; G132-A141 WeakPolarHBondContact CA-O 3.49Å
133C96.9Very high91.6Very high0 Ų054.9 Ų54.90%028%0.275CS..EExtended strand (participates in β ladder)trans-112156.4178.5-600000110.4A141 F147 C156 H165C133-A141 PolarHBondContact N-O 3.03Å; C133-A141 PolarHBondContact O-N 3.11Å; C133-F147 HydrophobicContact CB-CD1 4.23Å; C133-F147 HydrophobicContact CB-CE1 3.47Å; C133-F147 VanDerWaalsContact CB-CE1 3.47Å; C133-F147 HydrophobicContact CB-CE2 4.46Å; C133-F147 HydrophobicContact CB-CZ 3.6Å; C133-C156 HydrophobicContact CB-CB 3.57Å; C133-C156 WeakPolarHBondContact CB-SG 3.39Å; C133-C156 PolarHBondContact N-SG 3.14Å; C133-C156 WeakPolarHBondContact SG-CA 3.42Å; C133-C156 WeakPolarHBondContact SG-CB 3.21Å; C133-C156 CovalentContact SG-SG 2.04Å; C133-C156 PolarHBondContact SG-SG 3.03Å; C133-H165 PolarHBondContact SG-CD2 2.58Å
134V95.6Very high92.4Very high4 Ų449.6 Ų49.62%0.02427%0.265CS..EExtended strand (participates in β ladder)trans-117122.8-177.9-173.30000109.1I111 S114 V116 K138 L140I111-V134 HydrophobicContact CG2-CG1 4.26Å; I111-V134 HydrophobicContact CG2-CG2 3.78Å; S114-V134 PolarHBondContact O-N 2.96Å; V116-V134 HydrophobicContact CG2-CG2 3.99Å; V134-K138 HydrophobicContact CG1-CB 4.49Å; V134-L140 HydrophobicContact CG1-CD2 4.4Å; V134-L140 HydrophobicContact CG2-CD2 3.91Å
135G93.3Very high93.4Very high10 Ų1053 Ų5310%0.10328%0.278CS..  trans-98.4-161.8177.500000113.7K138 V139 F147 T148G135-K138 PolarHBondContact O-N 2.89Å; G135-V139 PolarHBondContact N-O 3.04Å; G135-F147 VanDerWaalsContact CA-CD2 3.46Å; G135-T148 WeakPolarHBondContact CA-O 3.21Å
136D89.8Confident94Very high45 Ų4550.2 Ų50.224%0.24128%0.276CS..G310 helixtrans-57.5148.8172.8-65.9-35.3000111.5K138 V139 T148 R149 R150D136-K138 PolarHBondContact O-N 3.42Å; D136-V139 WeakPolarHBondContact O-CB 3.39Å; D136-V139 VanDerWaalsContact O-CG2 3.31Å; D136-V139 WeakPolarHBondContact O-CG2 3.32Å; D136-V139 PolarHBondContact O-N 3.3Å; D136-T148 PolarHBondContact N-O 2.98Å; D136-R149 VanDerWaalsContact CG-CA 3.48Å; D136-R149 WeakPolarHBondContact OD1-CA 3.44Å; D136-R149 VanDerWaalsContact OD2-CA 3.22Å; D136-R149 WeakPolarHBondContact OD2-CA 3.41Å; D136-R150 PolarHBondContact OD1-N 3.02Å; D136-R150 PolarHBondContact OD2-N 2.76Å
137N90.1Very high94.3Very high162 Ų16250.5 Ų50.587%0.86628%0.278SS*.G310 helixtrans53.328.3178.5-55.4-30.3000113.7V139N137-V139 PolarHBondContact O-N 3.35Å
138K90.3Very high94.4Very high163 Ų16353 Ų5371%0.70929%0.293SS*.G310 helixtrans59.723.8-176.8-53.7-179179.3-1790114.1V134 G135 D136 L140V134-K138 HydrophobicContact CG1-CB 4.49Å; G135-K138 PolarHBondContact O-N 2.89Å; D136-K138 PolarHBondContact O-N 3.42Å; K138-L140 WeakPolarHBondContact O-CD2 3.27Å; K138-L140 PolarHBondContact O-N 3.06Å
139V93.5Very high94.3Very high85 Ų8554.5 Ų54.552%0.51530%0.298SS..  trans-60.1128.5171.2172.40000108.8G135 D136 N137G135-V139 PolarHBondContact N-O 3.04Å; D136-V139 WeakPolarHBondContact O-CB 3.39Å; D136-V139 VanDerWaalsContact O-CG2 3.31Å; D136-V139 WeakPolarHBondContact O-CG2 3.32Å; D136-V139 PolarHBondContact O-N 3.3Å; N137-V139 PolarHBondContact O-N 3.35Å
140L95.9Very high94.1Very high88 Ų8860.5 Ų60.546%0.46132%0.319SS..EExtended strand (participates in β ladder)trans-94.8135.2-179.1-54.4-175.6000109.9I111 V116 V134 K138I111-L140 HydrophobicContact CD1-CD1 3.97Å; I111-L140 HydrophobicContact CD1-CD2 4.09Å; I111-L140 HydrophobicContact CG1-CD2 4.29Å; I111-L140 HydrophobicContact CG2-CD2 4.12Å; V116-L140 HydrophobicContact CG2-CD1 4.41Å; V116-L140 HydrophobicContact CG2-CD2 3.73Å; V134-L140 HydrophobicContact CG1-CD2 4.4Å; V134-L140 HydrophobicContact CG2-CD2 3.91Å; K138-L140 WeakPolarHBondContact O-CD2 3.27Å; K138-L140 PolarHBondContact O-N 3.06Å
141A97.2Very high93.8Very high3 Ų362.5 Ų62.53%0.02533%0.331CS..EExtended strand (participates in β ladder)trans-119.1126172.400000109.1G132 C133 E145 F147 C156G132-A141 CarbonylContact C-O 3.54Å; G132-A141 WeakPolarHBondContact CA-O 3.49Å; C133-A141 PolarHBondContact N-O 3.03Å; C133-A141 PolarHBondContact O-N 3.11Å; A141-E145 HydrophobicContact CB-CB 4.12Å; A141-F147 HydrophobicContact CB-CB 3.88Å; A141-F147 HydrophobicContact CB-CD1 3.49Å; A141-F147 VanDerWaalsContact CB-CD1 3.49Å; A141-F147 HydrophobicContact CB-CE1 4.34Å; A141-F147 HydrophobicContact CB-CG 3.94Å; A141-C156 HydrophobicContact CB-CB 4.36Å
142K97Very high93.6Very high145 Ų14560.2 Ų60.263%0.6332%0.317SS*.EExtended strand (participates in β ladder)trans-67161.2170.1-61.7176.2-177.7172.60109.6G144 E145 C156K142-G144 PolarHBondContact O-N 2.82Å; K142-E145 HydrophobicContact CB-CG 4.12Å; K142-E145 PolarHBondContact N-OE2 3.35Å; K142-E145 WeakPolarHBondContact O-CB 3.36Å; K142-E145 PolarHBondContact O-N 2.85Å; K142-C156 WeakPolarHBondContact O-CB 3Å
143I95.8Very high93.5Very high72 Ų7260.9 Ų60.937%0.36932%0.32SS..THydrogen-bonded Turntrans-57129.3171.4-58.9-168.1000109.3V163I143-V163 HydrophobicContact CD1-CG1 4.5Å; I143-V163 HydrophobicContact CD1-CG2 3.86Å
144G96.2Very high93.3Very high54 Ų5461.1 Ų61.156%0.55732%0.321SS*.THydrogen-bonded Turntrans94.9-17.1-173.300000114.4K142 C156K142-G144 PolarHBondContact O-N 2.82Å; G144-C156 PolarHBondContact N-O 2.93Å
145E97.9Very high93.2Very high86 Ų8662 Ų6240%0.40233%0.327SS..  trans-87.4153.6-179.4-65.5178.716800112.4A141 K142 T155 C156A141-E145 HydrophobicContact CB-CB 4.12Å; K142-E145 HydrophobicContact CB-CG 4.12Å; K142-E145 PolarHBondContact N-OE2 3.35Å; K142-E145 WeakPolarHBondContact O-CB 3.36Å; K142-E145 PolarHBondContact O-N 2.85Å; E145-T155 WeakPolarHBondContact O-CA 3.48Å; E145-T155 PolarHBondContact O-OG1 3.48Å; E145-C156 PolarHBondContact O-N 3.08Å
146S95.3Very high93.4Very high61 Ų6161.6 Ų61.643%0.42732%0.322SS..EExtended strand (participates in β ladder)trans-98144.8175.9-61.80000112.1F154 I168S146-F154 CarbonylContact C-O 3.5Å; S146-F154 WeakPolarHBondContact CA-O 3.3Å; S146-F154 WeakPolarHBondContact CB-O 3.02Å; S146-I168 WeakPolarHBondContact OG-CD1 3.02Å
147F94.9Very high93.6Very high7 Ų761.8 Ų61.83%0.03132%0.323CS..EExtended strand (participates in β ladder)trans-145.6161179.462.7-80.7000111.4C133 G135 A141 F154 C156 H165C133-F147 HydrophobicContact CB-CD1 4.23Å; C133-F147 HydrophobicContact CB-CE1 3.47Å; C133-F147 VanDerWaalsContact CB-CE1 3.47Å; C133-F147 HydrophobicContact CB-CE2 4.46Å; C133-F147 HydrophobicContact CB-CZ 3.6Å; G135-F147 VanDerWaalsContact CA-CD2 3.46Å; A141-F147 HydrophobicContact CB-CB 3.88Å; A141-F147 HydrophobicContact CB-CD1 3.49Å; A141-F147 VanDerWaalsContact CB-CD1 3.49Å; A141-F147 HydrophobicContact CB-CE1 4.34Å; A141-F147 HydrophobicContact CB-CG 3.94Å; F147-F154 HydrophobicContact CD1-CB 4.25Å; F147-F154 HydrophobicContact CD2-CB 4.35Å; F147-F154 HydrophobicContact CE1-CB 3.79Å; F147-F154 HydrophobicContact CE2-CB 3.93Å; F147-F154 HydrophobicContact CE2-CG 4.42Å; F147-F154 HydrophobicContact CZ-CB 3.62Å; F147-F154 HydrophobicContact CZ-CG 4.35Å; F147-F154 PolarHBondContact N-O 2.8Å; F147-F154 PolarHBondContact O-N 3.46Å; F147-C156 HydrophobicContact CD1-CB 4.42Å; F147-C156 HydrophobicContact CE1-CB 3.98Å; F147-H165 HydrophobicContact CZ-CB 4.34Å; F147-H165 AromaticContact CZ-CD2 3.93Å; F147-H165 AromaticContact CZ-CE1 3.96Å; F147-H165 AromaticContact CZ-CG 3.76Å; F147-H165 AromaticContact CZ-ND1 3.78Å
148T92.8Very high93.8Very high52 Ų5256.7 Ų56.732%0.31930%0.3SS..EExtended strand (participates in β ladder)trans-99.2142.617755.30000110.8G135 D136 F152 L153 I171G135-T148 WeakPolarHBondContact CA-O 3.21Å; D136-T148 PolarHBondContact N-O 2.98Å; T148-F152 WeakPolarHBondContact CA-O 3.48Å; T148-L153 HydrophobicContact CG2-CD1 4.07Å; T148-I171 HydrophobicContact CG2-CD1 4.15Å; T148-I171 HydrophobicContact CG2-CG1 4.15Å
149R89.3Confident93.8Very high32 Ų3253.6 Ų53.612%0.12129%0.288CS..EExtended strand (participates in β ladder)trans-136.9115.9166.1-166.9170.7171.2-173.3-7.4109.2E27 D136 T151 F152 F154 H165E27-R149 IonicContact OE1-CZ 2.74Å; E27-R149 IonicContact OE1-NH1 3.2Å; E27-R149 PolarHBondContact OE1-NH1 3.15Å; E27-R149 IonicContact OE1-NH2 2.81Å; E27-R149 PolarHBondContact OE1-NH2 2.87Å; E27-R149 IonicContact OE2-CZ 2.73Å; E27-R149 IonicContact OE2-NH1 3.92Å; E27-R149 PolarHBondContact OE2-NH1 3.19Å; E27-R149 IonicContact OE2-NH2 2.6Å; D136-R149 VanDerWaalsContact CG-CA 3.48Å; D136-R149 WeakPolarHBondContact OD1-CA 3.44Å; D136-R149 VanDerWaalsContact OD2-CA 3.22Å; D136-R149 WeakPolarHBondContact OD2-CA 3.41Å; R149-T151 PolarHBondContact O-N 3.01Å; R149-F152 PolarHBondContact N-O 2.93Å; R149-F152 PolarHBondContact O-N 2.83Å; R149-F152 VanDerWaalsContact O-N 3.15Å; R149-F154 HydrophobicContact CB-CD2 3.98Å; R149-F154 HydrophobicContact CB-CE2 3.85Å; R149-H165 PolarHBondContact NH1-ND1 2.87Å
150R87.5Confident93.4Very high146 Ų14652.7 Ų52.755%0.55130%0.296SS*.THydrogen-bonded Turntrans53.2-119.4-167.3-56.2169.6174-173-10.2110.2D136D136-R150 PolarHBondContact OD1-N 3.02Å; D136-R150 PolarHBondContact OD2-N 2.76Å
151T88.3Confident92.9Very high45 Ų4554 Ų5428%0.27630%0.304SS..THydrogen-bonded Turntrans-100.425.1-178.755.50000112.4R149 I171R149-T151 PolarHBondContact O-N 3.01Å; T151-I171 PolarHBondContact O-N 2.78Å
152F92.1Very high92.6Very high2 Ų260.7 Ų60.71%0.00933%0.328CS..EExtended strand (participates in β ladder)trans-132149.9-174.9-59.2-81.6000112I19 C21 C24 T148 R149 F154 V200 V202I19-F152 HydrophobicContact CG2-CE2 4.35Å; I19-F152 HydrophobicContact CG2-CZ 4.42Å; C21-F152 HydrophobicContact CB-CD2 3.79Å; C21-F152 HydrophobicContact CB-CE1 4.4Å; C21-F152 HydrophobicContact CB-CE2 3.3Å; C21-F152 HydrophobicContact CB-CZ 3.64Å; C24-F152 WeakPolarHBondContact SG-CD2 3.22Å; T148-F152 WeakPolarHBondContact CA-O 3.48Å; R149-F152 PolarHBondContact N-O 2.93Å; R149-F152 PolarHBondContact O-N 2.83Å; R149-F152 VanDerWaalsContact O-N 3.15Å; F152-F154 HydrophobicContact CB-CD2 4.31Å; F152-F154 HydrophobicContact CB-CE2 3.64Å; F152-F154 HydrophobicContact CB-CZ 4.28Å; F152-V200 HydrophobicContact CD1-CB 4.27Å; F152-V200 HydrophobicContact CD1-CG1 4.09Å; F152-V200 HydrophobicContact CE1-CG1 4.27Å; F152-V200 WeakPolarHBondContact CE1-O 3.22Å; F152-V202 HydrophobicContact CE1-CG2 4.3Å
153L93.1Very high92.5Very high17 Ų1753.9 Ų53.99%0.08930%0.299CS..EExtended strand (participates in β ladder)trans-106126.7178.5-173.569.8000109.1T148 I168 G169 I171T148-L153 HydrophobicContact CG2-CD1 4.07Å; L153-I168 HydrophobicContact CB-CG1 4.24Å; L153-I168 HydrophobicContact CD2-CD1 3.77Å; L153-I168 HydrophobicContact CD2-CG1 3.92Å; L153-I168 HydrophobicContact CG-CD1 3.86Å; L153-I168 HydrophobicContact CG-CG1 3.76Å; L153-I168 WeakPolarHBondContact O-CG1 3.4Å; L153-I168 PolarHBondContact O-N 2.89Å; L153-G169 PolarHBondContact N-O 2.91Å; L153-G169 PolarHBondContact O-N 2.82Å; L153-I171 HydrophobicContact CB-CD1 4.48Å
154F93Very high92.3Very high4 Ų451.1 Ų51.12%0.01829%0.285CS..EExtended strand (participates in β ladder)trans-119.5155.6179.1-68.5-91.9000110.4C24 S146 F147 R149 F152 H165 K166 A167C24-F154 HydrophobicContact CB-CE1 4.47Å; C24-F154 HydrophobicContact CB-CZ 3.85Å; C24-F154 WeakPolarHBondContact SG-CZ 3.42Å; S146-F154 CarbonylContact C-O 3.5Å; S146-F154 WeakPolarHBondContact CA-O 3.3Å; S146-F154 WeakPolarHBondContact CB-O 3.02Å; F147-F154 HydrophobicContact CD1-CB 4.25Å; F147-F154 HydrophobicContact CD2-CB 4.35Å; F147-F154 HydrophobicContact CE1-CB 3.79Å; F147-F154 HydrophobicContact CE2-CB 3.93Å; F147-F154 HydrophobicContact CE2-CG 4.42Å; F147-F154 HydrophobicContact CZ-CB 3.62Å; F147-F154 HydrophobicContact CZ-CG 4.35Å; F147-F154 PolarHBondContact N-O 2.8Å; F147-F154 PolarHBondContact O-N 3.46Å; R149-F154 HydrophobicContact CB-CD2 3.98Å; R149-F154 HydrophobicContact CB-CE2 3.85Å; F152-F154 HydrophobicContact CB-CD2 4.31Å; F152-F154 HydrophobicContact CB-CE2 3.64Å; F152-F154 HydrophobicContact CB-CZ 4.28Å; F154-H165 HydrophobicContact CD1-CB 3.83Å; F154-H165 HydrophobicContact CE1-CB 4.25Å; F154-H165 HydrophobicContact CG-CB 4.5Å; F154-K166 CarbonylContact C-O 3.52Å; F154-K166 VanDerWaalsContact CA-O 3.3Å; F154-K166 WeakPolarHBondContact CA-O 3.07Å; F154-A167 HydrophobicContact CD1-CB 3.98Å; F154-A167 HydrophobicContact CE1-CB 3.74Å; F154-A167 HydrophobicContact CZ-CB 4.41Å
155T94.6Very high92.1Very high24 Ų2448.7 Ų48.715%0.14726%0.259CS..EExtended strand (participates in β ladder)trans-111.8137.8161.8-164.80000109E145 L157 K166 I168E145-T155 WeakPolarHBondContact O-CA 3.48Å; E145-T155 PolarHBondContact O-OG1 3.48Å; T155-L157 HydrophobicContact CG2-CB 4.46Å; T155-L157 PolarHBondContact O-N 3.36Å; T155-K166 HydrophobicContact CG2-CB 3.83Å; T155-K166 HydrophobicContact CG2-CD 4.37Å; T155-K166 HydrophobicContact CG2-CG 4.33Å; T155-K166 PolarHBondContact N-O 3.28Å; T155-K166 PolarHBondContact O-N 2.79Å; T155-I168 HydrophobicContact CG2-CG2 3.8Å
156C96.3Very high91.8Very high0 Ų048.9 Ų48.90%026%0.258CS..EExtended strand (participates in β ladder)trans-78.1111.2172-167.30000108.3C133 A141 K142 G144 E145 F147C133-C156 HydrophobicContact CB-CB 3.57Å; C133-C156 WeakPolarHBondContact CB-SG 3.39Å; C133-C156 PolarHBondContact N-SG 3.14Å; C133-C156 WeakPolarHBondContact SG-CA 3.42Å; C133-C156 WeakPolarHBondContact SG-CB 3.21Å; C133-C156 CovalentContact SG-SG 2.04Å; C133-C156 PolarHBondContact SG-SG 3.03Å; A141-C156 HydrophobicContact CB-CB 4.36Å; K142-C156 WeakPolarHBondContact O-CB 3Å; G144-C156 PolarHBondContact N-O 2.93Å; E145-C156 PolarHBondContact O-N 3.08Å; F147-C156 HydrophobicContact CD1-CB 4.42Å; F147-C156 HydrophobicContact CE1-CB 3.98Å
157L95.3Very high91.7Very high49 Ų4946.3 Ų46.326%0.25724%0.241SC..EExtended strand (participates in β ladder)trans-120.7136.5-172.8-174.366.3000111T155 E159 V163 I164 K166T155-L157 HydrophobicContact CG2-CB 4.46Å; T155-L157 PolarHBondContact O-N 3.36Å; L157-E159 HydrophobicContact CD2-CG 3.93Å; L157-E159 VanDerWaalsContact CD2-OE1 3.3Å; L157-E159 WeakPolarHBondContact CD2-OE1 3.46Å; L157-E159 HydrophobicContact CG-CG 4.1Å; L157-V163 CarbonylContact O-C 3.46Å; L157-V163 WeakPolarHBondContact O-CA 3.36Å; L157-I164 HydrophobicContact CB-CG1 3.95Å; L157-I164 HydrophobicContact CD2-CD1 4.34Å; L157-I164 HydrophobicContact CD2-CG1 4.48Å; L157-I164 PolarHBondContact N-O 2.87Å; L157-I164 PolarHBondContact O-N 2.83Å; L157-K166 HydrophobicContact CB-CB 4.46Å; L157-K166 HydrophobicContact CD2-CD 3.63Å
158S94Very high91.6Very high56 Ų5648.8 Ų48.839%0.39225%0.254SS..EExtended strand (participates in β ladder)trans-94.1126.7168.8-168.30000110R162S158-R162 CarbonylContact C-O 3.56Å; S158-R162 WeakPolarHBondContact CA-O 3.4Å
159E89.1Confident91.6Very high97 Ų9746.4 Ų46.445%0.45324%0.239SC..EExtended strand (participates in β ladder)trans-128.194.9175.4-67.7-172.6171.300108.9L157 N161 R162 I164L157-E159 HydrophobicContact CD2-CG 3.93Å; L157-E159 VanDerWaalsContact CD2-OE1 3.3Å; L157-E159 WeakPolarHBondContact CD2-OE1 3.46Å; L157-E159 HydrophobicContact CG-CG 4.1Å; E159-N161 PolarHBondContact O-N 3.25Å; E159-R162 PolarHBondContact N-O 2.04Å; E159-R162 WeakPolarHBondContact O-CB 3.26Å; E159-R162 PolarHBondContact O-N 2.7Å; E159-R162 VanDerWaalsContact O-N 3.08Å; E159-I164 VanDerWaalsContact CD-CD1 3.48Å; E159-I164 HydrophobicContact CG-CD1 4.25Å; E159-I164 WeakPolarHBondContact OE1-CD1 3.13Å
160G86.3Confident91.9Very high67 Ų6744.9 Ų44.969%0.69123%0.234SC*.THydrogen-bonded Turntrans63.1-122.6-173.500000111.4R162G160-R162 VanDerWaalsContact C-N 3.26Å
161N85.2Confident92.2Very high116 Ų11639.6 Ų39.662%0.6222%0.216SC*.THydrogen-bonded Turntrans-86.52.2177.7-63.3-5000112.9S30 S31 E159S30-N161 CarbonylContact C-O 3.54Å; S30-N161 WeakPolarHBondContact CA-O 3.47Å; S31-N161 PolarHBondContact N-O 3.39Å; E159-N161 PolarHBondContact O-N 3.25Å
162R91.5Very high92.4Very high142 Ų14238 Ų3854%0.53621%0.205SC..EExtended strand (participates in β ladder)trans-107.5145.1-175.9-64.5176.5178173.32.7110.8V28 S29 S158 E159 G160 I164V28-R162 HydrophobicContact CG1-CB 4.07Å; V28-R162 HydrophobicContact CG1-CG 4.16Å; S29-R162 CarbonylContact O-C 3.59Å; S29-R162 WeakPolarHBondContact O-CA 3.23Å; S158-R162 CarbonylContact C-O 3.56Å; S158-R162 WeakPolarHBondContact CA-O 3.4Å; E159-R162 PolarHBondContact N-O 2.04Å; E159-R162 WeakPolarHBondContact O-CB 3.26Å; E159-R162 PolarHBondContact O-N 2.7Å; E159-R162 VanDerWaalsContact O-N 3.08Å; G160-R162 VanDerWaalsContact C-N 3.26Å; R162-I164 HydrophobicContact CB-CG2 4.49Å
163V94Very high92.3Very high2 Ų240.8 Ų40.81%0.01224%0.236CC..EExtended strand (participates in β ladder)trans-114.8131.9166.2-178.50000108S29 F115 I130 I143 L157S29-V163 PolarHBondContact N-O 2.81Å; S29-V163 PolarHBondContact O-N 3.18Å; F115-V163 HydrophobicContact CD1-CB 4.48Å; F115-V163 HydrophobicContact CD1-CG1 4.17Å; F115-V163 HydrophobicContact CE1-CB 4.24Å; F115-V163 HydrophobicContact CE1-CG1 3.98Å; F115-V163 WeakPolarHBondContact CE1-O 3.14Å; F115-V163 WeakPolarHBondContact CZ-O 3.44Å; I130-V163 HydrophobicContact CB-CB 3.99Å; I130-V163 HydrophobicContact CB-CG2 3.65Å; I130-V163 HydrophobicContact CD1-CB 4.01Å; I130-V163 HydrophobicContact CD1-CG2 4.28Å; I130-V163 HydrophobicContact CG2-CB 3.63Å; I130-V163 HydrophobicContact CG2-CG1 3.79Å; I130-V163 HydrophobicContact CG2-CG2 3.69Å; I143-V163 HydrophobicContact CD1-CG1 4.5Å; I143-V163 HydrophobicContact CD1-CG2 3.86Å; L157-V163 CarbonylContact O-C 3.46Å; L157-V163 WeakPolarHBondContact O-CA 3.36Å
164I92.1Very high92.2Very high15 Ų1543.2 Ų43.28%0.07727%0.265CS..EExtended strand (participates in β ladder)trans-125.6147.3-173.472.9167.7000111.8E27 V28 L157 E159 R162 K166E27-I164 CarbonylContact O-C 3.4Å; E27-I164 VanDerWaalsContact O-CA 3.27Å; E27-I164 WeakPolarHBondContact O-CA 3.47Å; V28-I164 HydrophobicContact CB-CG2 4.05Å; V28-I164 HydrophobicContact CG1-CG2 3.86Å; V28-I164 HydrophobicContact CG2-CB 4.12Å; V28-I164 HydrophobicContact CG2-CG2 3.5Å; L157-I164 HydrophobicContact CB-CG1 3.95Å; L157-I164 HydrophobicContact CD2-CD1 4.34Å; L157-I164 HydrophobicContact CD2-CG1 4.48Å; L157-I164 PolarHBondContact N-O 2.87Å; L157-I164 PolarHBondContact O-N 2.83Å; E159-I164 VanDerWaalsContact CD-CD1 3.48Å; E159-I164 HydrophobicContact CG-CD1 4.25Å; E159-I164 WeakPolarHBondContact OE1-CD1 3.13Å; R162-I164 HydrophobicContact CB-CG2 4.49Å; I164-K166 HydrophobicContact CD1-CB 4.21Å; I164-K166 HydrophobicContact CG1-CB 4.35Å; I164-K166 PolarHBondContact O-N 2.82Å
165H92.2Very high92.2Very high2 Ų248.1 Ų48.11%0.00929%0.288CS..EExtended strand (participates in β ladder)trans-86.299.1165.4-66.3-166.7000107.8E27 S114 F115 C133 F147 R149 F154E27-H165 HydrophobicContact CB-CB 4.38Å; E27-H165 PolarHBondContact O-N 2.91Å; E27-H165 IonicContact OE2-CE1 2.76Å; E27-H165 IonicContact OE2-ND1 2.97Å; S114-H165 PolarHBondContact O-CE1 3.13Å; S114-H165 PolarHBondContact O-NE2 3.02Å; F115-H165 AromaticContact CD1-NE2 3.76Å; F115-H165 AromaticContact CE1-CD2 3.43Å; F115-H165 VanDerWaalsContact CE1-CD2 3.43Å; F115-H165 WeakPolarHBondContact CE1-CD2 3.24Å; F115-H165 AromaticContact CE1-NE2 3.36Å; F115-H165 WeakPolarHBondContact CE1-NE2 3.4Å; F115-H165 AromaticContact CZ-CD2 3.71Å; F115-H165 AromaticContact CZ-NE2 3.65Å; C133-H165 PolarHBondContact SG-CD2 2.58Å; F147-H165 HydrophobicContact CZ-CB 4.34Å; F147-H165 AromaticContact CZ-CD2 3.93Å; F147-H165 AromaticContact CZ-CE1 3.96Å; F147-H165 AromaticContact CZ-CG 3.76Å; F147-H165 AromaticContact CZ-ND1 3.78Å; R149-H165 PolarHBondContact NH1-ND1 2.87Å; F154-H165 HydrophobicContact CD1-CB 3.83Å; F154-H165 HydrophobicContact CE1-CB 4.25Å; F154-H165 HydrophobicContact CG-CB 4.5Å
166K91.7Very high92.3Very high90 Ų9055.4 Ų55.439%0.39131%0.312SS..EExtended strand (participates in β ladder)trans-93.1114.1179.2-178.6174.3-174.2170.40109.9F154 T155 L157 I164 I168F154-K166 CarbonylContact C-O 3.52Å; F154-K166 VanDerWaalsContact CA-O 3.3Å; F154-K166 WeakPolarHBondContact CA-O 3.07Å; T155-K166 HydrophobicContact CG2-CB 3.83Å; T155-K166 HydrophobicContact CG2-CD 4.37Å; T155-K166 HydrophobicContact CG2-CG 4.33Å; T155-K166 PolarHBondContact N-O 3.28Å; T155-K166 PolarHBondContact O-N 2.79Å; L157-K166 HydrophobicContact CB-CB 4.46Å; L157-K166 HydrophobicContact CD2-CD 3.63Å; I164-K166 HydrophobicContact CD1-CB 4.21Å; I164-K166 HydrophobicContact CG1-CB 4.35Å; I164-K166 PolarHBondContact O-N 2.82Å; K166-I168 PolarHBondContact O-N 3.02Å
167A91.8Very high92.2Very high8 Ų855.7 Ų55.77%0.06631%0.314CS..EExtended strand (participates in β ladder)trans-65.7131.5176.100000110.3F154 I179 V200F154-A167 HydrophobicContact CD1-CB 3.98Å; F154-A167 HydrophobicContact CE1-CB 3.74Å; F154-A167 HydrophobicContact CZ-CB 4.41Å; A167-I179 WeakPolarHBondContact O-CD1 3.46Å; A167-V200 HydrophobicContact CB-CB 4.15Å; A167-V200 HydrophobicContact CB-CG2 3.45Å; A167-V200 VanDerWaalsContact CB-CG2 3.45Å
168I92.8Very high92.3Very high59 Ų5954.4 Ų54.430%0.30331%0.313SS..EExtended strand (participates in β ladder)trans-126.4-7.5-178.458.6164.5000113.2S146 L153 T155 K166 I179S146-I168 WeakPolarHBondContact OG-CD1 3.02Å; L153-I168 HydrophobicContact CB-CG1 4.24Å; L153-I168 HydrophobicContact CD2-CD1 3.77Å; L153-I168 HydrophobicContact CD2-CG1 3.92Å; L153-I168 HydrophobicContact CG-CD1 3.86Å; L153-I168 HydrophobicContact CG-CG1 3.76Å; L153-I168 WeakPolarHBondContact O-CG1 3.4Å; L153-I168 PolarHBondContact O-N 2.89Å; T155-I168 HydrophobicContact CG2-CG2 3.8Å; K166-I168 PolarHBondContact O-N 3.02Å; I168-I179 WeakPolarHBondContact O-CG1 3.31Å
169G94.4Very high92.2Very high1 Ų153.4 Ų53.41%0.0130%0.303CS..EExtended strand (participates in β ladder)trans178.8-173.8176.900000114L153 V177 C192L153-G169 PolarHBondContact N-O 2.91Å; L153-G169 PolarHBondContact O-N 2.82Å; G169-V177 CarbonylContact C-O 3.42Å; G169-V177 WeakPolarHBondContact CA-O 3.34Å; G169-C192 VanDerWaalsContact C-SG 3.57Å
170C94.5Very high92.5Very high0 Ų053.7 Ų53.70%030%0.304CS..EExtended strand (participates in β ladder)trans-118.6156.4179-56.60000110I172 V177 C192 V200 V202C170-I172 HydrophobicContact CB-CD1 4.08Å; C170-I172 HydrophobicContact CB-CG1 3.84Å; C170-V177 PolarHBondContact N-O 2.81Å; C170-V177 PolarHBondContact O-N 3.09Å; C170-C192 HydrophobicContact CB-CB 3.69Å; C170-C192 WeakPolarHBondContact CB-SG 3.35Å; C170-C192 PolarHBondContact N-SG 2.88Å; C170-C192 WeakPolarHBondContact SG-CA 3.44Å; C170-C192 WeakPolarHBondContact SG-CB 2.98Å; C170-C192 CovalentContact SG-SG 2.04Å; C170-C192 PolarHBondContact SG-SG 2.85Å; C170-V200 WeakPolarHBondContact SG-CG1 3.47Å; C170-V202 HydrophobicContact CB-CG2 3.77Å
171I93.9Very high93Very high35 Ų3556 Ų5618%0.17930%0.296CS..EExtended strand (participates in β ladder)trans-107.3109.1165-52.3-59.5000107.3T148 T151 L153 Q175 R176T148-I171 HydrophobicContact CG2-CD1 4.15Å; T148-I171 HydrophobicContact CG2-CG1 4.15Å; T151-I171 PolarHBondContact O-N 2.78Å; L153-I171 HydrophobicContact CB-CD1 4.48Å; I171-Q175 CarbonylContact C-O 3.51Å; I171-Q175 VanDerWaalsContact CA-O 3.31Å; I171-Q175 WeakPolarHBondContact CA-O 3.34Å; I171-R176 HydrophobicContact CD1-CB 4.34Å; I171-R176 HydrophobicContact CD1-CG 3.58Å
172I92.8Very high93.5Very high11 Ų1153 Ų536%0.05628%0.282CS..EExtended strand (participates in β ladder)trans-120.6117.2-176.3-50.2177.9000108.1C170 G174 Q175 V177 I183 I185 Y190 V202C170-I172 HydrophobicContact CB-CD1 4.08Å; C170-I172 HydrophobicContact CB-CG1 3.84Å; I172-G174 PolarHBondContact O-N 3.24Å; I172-Q175 PolarHBondContact N-O 3.06Å; I172-Q175 PolarHBondContact O-N 2.84Å; I172-V177 HydrophobicContact CB-CG2 4.21Å; I172-V177 HydrophobicContact CD1-CB 4.17Å; I172-V177 HydrophobicContact CD1-CG1 4.36Å; I172-V177 HydrophobicContact CD1-CG2 4.05Å; I172-V177 HydrophobicContact CG1-CG2 4.17Å; I172-I183 HydrophobicContact CB-CG2 4.08Å; I172-I183 HydrophobicContact CD1-CG2 4.06Å; I172-I183 HydrophobicContact CG2-CG2 4Å; I172-I185 HydrophobicContact CG2-CG1 4.07Å; I172-Y190 HydrophobicContact CG2-CD2 4.23Å; I172-Y190 HydrophobicContact CG2-CG 4.03Å; I172-V202 HydrophobicContact CD1-CB 4.49Å; I172-V202 HydrophobicContact CD1-CG1 3.74Å; I172-V202 HydrophobicContact CD1-CG2 4.03Å; I172-V202 HydrophobicContact CG1-CG1 4.01Å; I172-V202 HydrophobicContact CG1-CG2 3.81Å; I172-V202 HydrophobicContact CG2-CG1 4.43Å
173G89.5Confident93.8Very high62 Ų6247.3 Ų47.364%0.63926%0.262SS*.THydrogen-bonded Turntrans55.536.3-174.900000113.3Q175G173-Q175 VanDerWaalsContact C-N 3.27Å; G173-Q175 PolarHBondContact O-N 2.92Å
174G90.7Very high93.9Very high68 Ų6850 Ų5070%0.70128%0.277SS*.THydrogen-bonded Turntrans80.9-6.7-177.300000115.4I172I172-G174 PolarHBondContact O-N 3.24Å
175Q94.3Very high93.9Very high107 Ų10751.7 Ų51.750%0.529%0.285SS..EExtended strand (participates in β ladder)trans-98.7141.9-177.7-62.3-175.652.400112.1I171 I172 G173 I183I171-Q175 CarbonylContact C-O 3.51Å; I171-Q175 VanDerWaalsContact CA-O 3.31Å; I171-Q175 WeakPolarHBondContact CA-O 3.34Å; I172-Q175 PolarHBondContact N-O 3.06Å; I172-Q175 PolarHBondContact O-N 2.84Å; G173-Q175 VanDerWaalsContact C-N 3.27Å; G173-Q175 PolarHBondContact O-N 2.92Å; Q175-I183 HydrophobicContact CB-CD1 3.82Å; Q175-I183 HydrophobicContact CG-CD1 4.28Å
176R95Very high93.9Very high176 Ų17654.8 Ų54.866%0.66432%0.318SS*.EExtended strand (participates in β ladder)trans-75.9123.8174.1-67.3179.6-179-170.11.3109.7I171I171-R176 HydrophobicContact CD1-CB 4.34Å; I171-R176 HydrophobicContact CD1-CG 3.58Å
177V96Very high94.1Very high7 Ų757.4 Ų57.44%0.04233%0.329CS..EExtended strand (participates in β ladder)trans-124.1120.1179.8-175.80000108.3G169 C170 I172 Q181 I183 C192G169-V177 CarbonylContact C-O 3.42Å; G169-V177 WeakPolarHBondContact CA-O 3.34Å; C170-V177 PolarHBondContact N-O 2.81Å; C170-V177 PolarHBondContact O-N 3.09Å; I172-V177 HydrophobicContact CB-CG2 4.21Å; I172-V177 HydrophobicContact CD1-CB 4.17Å; I172-V177 HydrophobicContact CD1-CG1 4.36Å; I172-V177 HydrophobicContact CD1-CG2 4.05Å; I172-V177 HydrophobicContact CG1-CG2 4.17Å; V177-Q181 HydrophobicContact CG1-CB 3.77Å; V177-I183 HydrophobicContact CG2-CB 4.1Å; V177-I183 HydrophobicContact CG2-CD1 4.04Å; V177-I183 HydrophobicContact CG2-CG2 3.86Å; V177-C192 HydrophobicContact CB-CB 4.35Å; V177-C192 HydrophobicContact CG1-CB 3.92Å
178G95.7Very high94.3Very high22 Ų2259.3 Ų59.323%0.22734%0.336CS..EExtended strand (participates in β ladder)trans-64.5158.4177.700000112H180 Q181 C192G178-H180 PolarHBondContact O-N 3.44Å; G178-Q181 VanDerWaalsContact O-CB 3.26Å; G178-Q181 WeakPolarHBondContact O-CB 3.39Å; G178-Q181 PolarHBondContact O-N 2.84Å; G178-C192 WeakPolarHBondContact O-CB 3.21Å
179I93.2Very high94.4Very high34 Ų3457.5 Ų57.517%0.17433%0.325CS..THydrogen-bonded Turntrans-58137.2175.6-62.3172.5000110A167 I168 Q181 R194 V200A167-I179 WeakPolarHBondContact O-CD1 3.46Å; I168-I179 WeakPolarHBondContact O-CG1 3.31Å; I179-Q181 PolarHBondContact O-N 2.95Å; I179-R194 HydrophobicContact CG2-CG 3.55Å; I179-V200 HydrophobicContact CD1-CG2 3.82Å; I179-V200 HydrophobicContact CG1-CG2 4.1Å
180H94.7Very high94.4Very high103 Ų10358.4 Ų58.448%0.47733%0.329SS..THydrogen-bonded Turntrans66.7-3.9-173.3-54.3-59.8000115.9G178 C192G178-H180 PolarHBondContact O-N 3.44Å; H180-C192 WeakPolarHBondContact CA-O 3.49Å; H180-C192 PolarHBondContact N-O 2.84Å
181Q97.7Very high94.4Very high115 Ų11561.4 Ų61.454%0.53734%0.342SS..  trans-77.8160173.2-60.5-174.8-27.400111.6V177 G178 I179 K191 C192V177-Q181 HydrophobicContact CG1-CB 3.77Å; G178-Q181 VanDerWaalsContact O-CB 3.26Å; G178-Q181 WeakPolarHBondContact O-CB 3.39Å; G178-Q181 PolarHBondContact O-N 2.84Å; I179-Q181 PolarHBondContact O-N 2.95Å; Q181-K191 WeakPolarHBondContact O-CA 2.83Å; Q181-C192 PolarHBondContact O-N 3.15Å
182V96Very high94.4Very high53 Ų5359.8 Ų59.832%0.32133%0.333SS..EExtended strand (participates in β ladder)trans-126.9148.6-174.2-64.40000110.8W189 Y190 K191V182-W189 HydrophobicContact CB-CE3 4.19Å; V182-W189 HydrophobicContact CB-CZ3 4.31Å; V182-W189 HydrophobicContact CG1-CE3 4.16Å; V182-W189 HydrophobicContact CG1-CZ3 3.81Å; V182-Y190 CarbonylContact C-O 3.54Å; V182-Y190 WeakPolarHBondContact CA-O 3.33Å; V182-Y190 WeakPolarHBondContact CB-O 3.14Å; V182-K191 HydrophobicContact CG1-CB 3.89Å; V182-K191 HydrophobicContact CG1-CD 4.22Å; V182-K191 HydrophobicContact CG1-CG 3.87Å
183I96.5Very high94.4Very high23 Ų2360.2 Ų60.212%0.11834%0.337CS..EExtended strand (participates in β ladder)trans-142.9149.1-179.8-169.1165.1000111I172 Q175 V177 I185 W189 Y190I172-I183 HydrophobicContact CB-CG2 4.08Å; I172-I183 HydrophobicContact CD1-CG2 4.06Å; I172-I183 HydrophobicContact CG2-CG2 4Å; Q175-I183 HydrophobicContact CB-CD1 3.82Å; Q175-I183 HydrophobicContact CG-CD1 4.28Å; V177-I183 HydrophobicContact CG2-CB 4.1Å; V177-I183 HydrophobicContact CG2-CD1 4.04Å; V177-I183 HydrophobicContact CG2-CG2 3.86Å; I183-I185 HydrophobicContact CD1-CD1 4.1Å; I183-I185 HydrophobicContact CG1-CD1 4.26Å; I183-I185 HydrophobicContact CG2-CG1 4.22Å; I183-W189 CarbonylContact O-C 3.58Å; I183-W189 VanDerWaalsContact O-CA 3.23Å; I183-W189 WeakPolarHBondContact O-CA 3.44Å; I183-W189 WeakPolarHBondContact O-CB 3.41Å; I183-Y190 PolarHBondContact N-O 3.3Å; I183-Y190 PolarHBondContact O-N 1.99Å
184N95.8Very high94.4Very high59 Ų5964 Ų6432%0.31633%0.332SS..EExtended strand (participates in β ladder)trans-97.6128.8172.7-61.98.1000108.7W189 V208 R214N184-W189 WeakPolarHBondContact OD1-CB 3.41Å; N184-V208 HydrophobicContact CB-CG2 4.27Å; N184-R214 VanDerWaalsContact OD1-CZ 3.3Å; N184-R214 PolarHBondContact OD1-NE 3Å; N184-R214 PolarHBondContact OD1-NH2 3.04Å
185I93.2Very high94.1Very high50 Ų5066.8 Ų66.826%0.25632%0.323SS..EExtended strand (participates in β ladder)trans-132.7109.3174-53.8-78.1000107I172 I183 K187 F188 Y190I172-I185 HydrophobicContact CG2-CG1 4.07Å; I183-I185 HydrophobicContact CD1-CD1 4.1Å; I183-I185 HydrophobicContact CG1-CD1 4.26Å; I183-I185 HydrophobicContact CG2-CG1 4.22Å; I185-K187 PolarHBondContact O-N 3.46Å; I185-F188 CarbonylContact C-O 3.58Å; I185-F188 PolarHBondContact N-O 3.24Å; I185-F188 PolarHBondContact O-N 3.17Å; I185-F188 VanDerWaalsContact O-O 3.09Å; I185-Y190 HydrophobicContact CB-CD2 4.13Å; I185-Y190 HydrophobicContact CB-CE2 3.79Å; I185-Y190 HydrophobicContact CG1-CD2 4.09Å; I185-Y190 HydrophobicContact CG1-CE2 4.23Å
186G92.8Very high93.4Very high67 Ų6764.9 Ų64.969%0.69133%0.331SS*.THydrogen-bonded Turntrans59.5-127.9-175.900000112F188G186-F188 VanDerWaalsContact C-N 3.28Å; G186-F188 PolarHBondContact O-N 2.96Å
187K94.7Very high92.4Very high146 Ų14664 Ų6464%0.63534%0.34SS*.THydrogen-bonded Turntrans-86.58.2-176.4-59.5-174.2178.4-178.20114.2I185 C207 V208 I239I185-K187 PolarHBondContact O-N 3.46Å; K187-C207 CarbonylContact O-C 3.57Å; K187-C207 WeakPolarHBondContact O-CA 3.33Å; K187-V208 PolarHBondContact O-N 3.41Å; K187-I239 HydrophobicContact CB-CD1 3.71Å; K187-I239 HydrophobicContact CD-CD1 4.13Å; K187-I239 HydrophobicContact CG-CD1 4.48Å
188F95.6Very high91.4Very high48 Ų4865.4 Ų65.421%0.21136%0.355CS..EExtended strand (participates in β ladder)trans-135.4157.3-175.2-56-72.8000111.1I185 G186 Y190 I204 G206 V208 V237 I239I185-F188 CarbonylContact C-O 3.58Å; I185-F188 PolarHBondContact N-O 3.24Å; I185-F188 PolarHBondContact O-N 3.17Å; I185-F188 VanDerWaalsContact O-O 3.09Å; G186-F188 VanDerWaalsContact C-N 3.28Å; G186-F188 PolarHBondContact O-N 2.96Å; F188-Y190 HydrophobicContact CB-CE2 3.73Å; F188-I204 HydrophobicContact CB-CD1 3.86Å; F188-I204 HydrophobicContact CB-CG1 4.29Å; F188-I204 HydrophobicContact CD1-CD1 3.78Å; F188-I204 HydrophobicContact CD2-CD1 4.41Å; F188-I204 HydrophobicContact CE1-CD1 4.43Å; F188-I204 HydrophobicContact CG-CD1 3.76Å; F188-G206 WeakPolarHBondContact CA-O 3.42Å; F188-V208 VanDerWaalsContact C-CG2 3.47Å; F188-V237 HydrophobicContact CD1-CG1 4.28Å; F188-V237 HydrophobicContact CE1-CB 4.47Å; F188-V237 HydrophobicContact CE1-CG1 4.15Å; F188-V237 WeakPolarHBondContact CE1-O 3.3Å; F188-I239 HydrophobicContact CE1-CD1 4.3Å; F188-I239 HydrophobicContact CE1-CG1 4.11Å
189W95.7Very high90.7Very high20 Ų2064.6 Ų64.68%0.07635%0.347CS..EExtended strand (participates in β ladder)trans-124.9146.317268.8-79.9000110.5V182 I183 N184 M205 G206 C207 V208 R214 I215 D216V182-W189 HydrophobicContact CB-CE3 4.19Å; V182-W189 HydrophobicContact CB-CZ3 4.31Å; V182-W189 HydrophobicContact CG1-CE3 4.16Å; V182-W189 HydrophobicContact CG1-CZ3 3.81Å; I183-W189 CarbonylContact O-C 3.58Å; I183-W189 VanDerWaalsContact O-CA 3.23Å; I183-W189 WeakPolarHBondContact O-CA 3.44Å; I183-W189 WeakPolarHBondContact O-CB 3.41Å; N184-W189 WeakPolarHBondContact OD1-CB 3.41Å; W189-M205 HydrophobicContact CD2-CB 3.66Å; W189-M205 HydrophobicContact CD2-CG 4.47Å; W189-M205 VanDerWaalsContact CE2-CB 3.5Å; W189-M205 HydrophobicContact CE3-CB 3.51Å; W189-M205 HydrophobicContact CE3-CG 3.84Å; W189-M205 HydrophobicContact CH2-CB 3.14Å; W189-M205 HydrophobicContact CH2-CE 4.06Å; W189-M205 HydrophobicContact CH2-CG 3.7Å; W189-M205 HydrophobicContact CZ2-CB 3.23Å; W189-M205 HydrophobicContact CZ2-CG 4.27Å; W189-M205 HydrophobicContact CZ3-CB 3.27Å; W189-M205 HydrophobicContact CZ3-CG 3.43Å; W189-M205 VanDerWaalsContact CZ3-CG 3.43Å; W189-M205 PolarHBondContact O-N 3.46Å; W189-G206 PolarHBondContact N-O 2.86Å; W189-G206 VanDerWaalsContact N-O 3.11Å; W189-C207 VanDerWaalsContact CD1-O 3.23Å; W189-V208 HydrophobicContact CB-CG2 3.77Å; W189-V208 HydrophobicContact CG-CG2 4.26Å; W189-R214 HydrophobicContact CB-CG 4.16Å; W189-R214 HydrophobicContact CD2-CB 4.28Å; W189-R214 HydrophobicContact CD2-CG 4.04Å; W189-R214 HydrophobicContact CG-CB 4.2Å; W189-R214 HydrophobicContact CG-CG 3.75Å; W189-I215 PolarHBondContact NE1-O 2.81Å; W189-D216 WeakPolarHBondContact CZ2-OD1 3.48Å
190Y94.2Very high90.5Very high21 Ų2163.1 Ų63.18%0.08234%0.34CS..EExtended strand (participates in β ladder)trans-127.1152.7-167-58.6-96.5000109.6L16 I172 V182 I183 I185 F188 V202 I203 I204L16-Y190 HydrophobicContact CD2-CE1 4.31Å; I172-Y190 HydrophobicContact CG2-CD2 4.23Å; I172-Y190 HydrophobicContact CG2-CG 4.03Å; V182-Y190 CarbonylContact C-O 3.54Å; V182-Y190 WeakPolarHBondContact CA-O 3.33Å; V182-Y190 WeakPolarHBondContact CB-O 3.14Å; I183-Y190 PolarHBondContact N-O 3.3Å; I183-Y190 PolarHBondContact O-N 1.99Å; I185-Y190 HydrophobicContact CB-CD2 4.13Å; I185-Y190 HydrophobicContact CB-CE2 3.79Å; I185-Y190 HydrophobicContact CG1-CD2 4.09Å; I185-Y190 HydrophobicContact CG1-CE2 4.23Å; F188-Y190 HydrophobicContact CB-CE2 3.73Å; Y190-V202 HydrophobicContact CD1-CG1 4.01Å; Y190-I203 CarbonylContact C-O 3.51Å; Y190-I203 VanDerWaalsContact CA-O 3.24Å; Y190-I203 WeakPolarHBondContact CA-O 3.42Å; Y190-I204 HydrophobicContact CD1-CB 3.98Å; Y190-I204 HydrophobicContact CD1-CG1 4.32Å; Y190-I204 HydrophobicContact CE1-CB 3.87Å; Y190-I204 HydrophobicContact CE1-CD1 4.04Å; Y190-I204 HydrophobicContact CE1-CG1 3.99Å
191K94.2Very high90.4Very high63 Ų6360.6 Ų60.627%0.27433%0.328SS..EExtended strand (participates in β ladder)trans-122.4132.6172.3-173.8171.7-178.6175.40109.7Q181 V182 I203 M205Q181-K191 WeakPolarHBondContact O-CA 2.83Å; V182-K191 HydrophobicContact CG1-CB 3.89Å; V182-K191 HydrophobicContact CG1-CD 4.22Å; V182-K191 HydrophobicContact CG1-CG 3.87Å; K191-I203 PolarHBondContact N-O 2.92Å; K191-I203 PolarHBondContact O-N 2.84Å; K191-M205 HydrophobicContact CB-CG 3.52Å; K191-M205 HydrophobicContact CB-SD 3.72Å; K191-M205 HydrophobicContact CD-SD 4.14Å
192C94.1Very high90.1Very high0 Ų056 Ų560%031%0.307CS..EExtended strand (participates in β ladder)trans-80.2119.1163.6-1720000108G169 C170 V177 G178 H180 Q181 V200G169-C192 VanDerWaalsContact C-SG 3.57Å; C170-C192 HydrophobicContact CB-CB 3.69Å; C170-C192 WeakPolarHBondContact CB-SG 3.35Å; C170-C192 PolarHBondContact N-SG 2.88Å; C170-C192 WeakPolarHBondContact SG-CA 3.44Å; C170-C192 WeakPolarHBondContact SG-CB 2.98Å; C170-C192 CovalentContact SG-SG 2.04Å; C170-C192 PolarHBondContact SG-SG 2.85Å; V177-C192 HydrophobicContact CB-CB 4.35Å; V177-C192 HydrophobicContact CG1-CB 3.92Å; G178-C192 WeakPolarHBondContact O-CB 3.21Å; H180-C192 WeakPolarHBondContact CA-O 3.49Å; H180-C192 PolarHBondContact N-O 2.84Å; Q181-C192 PolarHBondContact O-N 3.15Å; C192-V200 WeakPolarHBondContact SG-CG1 3.12Å
193S92.5Very high89.8Confident20 Ų2055.4 Ų55.414%0.1430%0.302CS..EExtended strand (participates in β ladder)trans-129.6149.2-174.2-169.90000111.9V200 K201S193-V200 CarbonylContact O-C 3.59Å; S193-V200 WeakPolarHBondContact O-CA 3.46Å; S193-K201 PolarHBondContact N-O 3.39Å; S193-K201 PolarHBondContact O-N 2.93Å
194R90.1Very high89.6Confident141 Ų14155.6 Ų55.653%0.53230%0.303SS..EExtended strand (participates in β ladder)trans-67.1151.8166.6-66.2-165.3173.3-162.6-0.2111.2I179 G199I179-R194 HydrophobicContact CG2-CG 3.55Å; R194-G199 CarbonylContact C-O 3.51Å; R194-G199 WeakPolarHBondContact CA-O 3.33Å
195Y85.1Confident89.5Confident128 Ų12855.4 Ų55.450%0.50230%0.301SS..EExtended strand (participates in β ladder)trans-149.1131.6173.2171.1-102.9000109.9L20 G199 K201L20-Y195 HydrophobicContact CD2-CD1 4.28Å; L20-Y195 HydrophobicContact CD2-CE1 3.94Å; Y195-G199 PolarHBondContact N-O 3.42Å; Y195-G199 CarbonylContact O-C 3.59Å; Y195-G199 WeakPolarHBondContact O-CA 3.41Å; Y195-G199 PolarHBondContact O-N 2.71Å; Y195-G199 VanDerWaalsContact O-N 3.09Å; Y195-K201 HydrophobicContact CD2-CD 4.37Å; Y195-K201 HydrophobicContact CG-CD 4.18Å
196G79.7Confident89.7Confident66 Ų6653 Ų5368%0.6829%0.289SS*.THydrogen-bonded Turntrans58.9-153.418000000113.5G198G196-G198 PolarHBondContact O-N 3.01Å
197N73.9Confident89.8Confident159 Ų15949.9 Ų49.985%0.8526%0.256SS*.THydrogen-bonded Turntrans-83.581.2-177.2-160.312.8000111.3
198G73.3Confident89.9Confident35 Ų3543.5 Ų43.536%0.36123%0.229SC..THydrogen-bonded Turntrans88.8-2.7175.100000115.8G196G196-G198 PolarHBondContact O-N 3.01Å
199G82.6Confident89.9Confident6 Ų641.8 Ų41.86%0.06222%0.222CC..EExtended strand (participates in β ladder)trans-70.8157.7174.200000112.8R194 Y195R194-G199 CarbonylContact C-O 3.51Å; R194-G199 WeakPolarHBondContact CA-O 3.33Å; Y195-G199 PolarHBondContact N-O 3.42Å; Y195-G199 CarbonylContact O-C 3.59Å; Y195-G199 WeakPolarHBondContact O-CA 3.41Å; Y195-G199 PolarHBondContact O-N 2.71Å; Y195-G199 VanDerWaalsContact O-N 3.09Å
200V89.1Confident89.7Confident3 Ų345.7 Ų45.72%0.01825%0.253CS..EExtended strand (participates in β ladder)trans-131.2144176.3178.60000108.9F152 A167 C170 I179 C192 S193F152-V200 HydrophobicContact CD1-CB 4.27Å; F152-V200 HydrophobicContact CD1-CG1 4.09Å; F152-V200 HydrophobicContact CE1-CG1 4.27Å; F152-V200 WeakPolarHBondContact CE1-O 3.22Å; A167-V200 HydrophobicContact CB-CB 4.15Å; A167-V200 HydrophobicContact CB-CG2 3.45Å; A167-V200 VanDerWaalsContact CB-CG2 3.45Å; C170-V200 WeakPolarHBondContact SG-CG1 3.47Å; I179-V200 HydrophobicContact CD1-CG2 3.82Å; I179-V200 HydrophobicContact CG1-CG2 4.1Å; C192-V200 WeakPolarHBondContact SG-CG1 3.12Å; S193-V200 CarbonylContact O-C 3.59Å; S193-V200 WeakPolarHBondContact O-CA 3.46Å
201K91.1Very high89.7Confident50 Ų5049.5 Ų49.522%0.21728%0.282CS..EExtended strand (participates in β ladder)trans-139.3154.3177.365.5178.3-179.4-179.40111.5L20 S193 Y195 I203L20-K201 HydrophobicContact CD1-CB 4.5Å; L20-K201 HydrophobicContact CD1-CD 3.84Å; L20-K201 HydrophobicContact CG-CB 4.36Å; L20-K201 HydrophobicContact CG-CD 4.2Å; S193-K201 PolarHBondContact N-O 3.39Å; S193-K201 PolarHBondContact O-N 2.93Å; Y195-K201 HydrophobicContact CD2-CD 4.37Å; Y195-K201 HydrophobicContact CG-CD 4.18Å; K201-I203 HydrophobicContact CD-CD1 4.41Å; K201-I203 HydrophobicContact CD-CG1 4.19Å; K201-I203 HydrophobicContact CG-CD1 4.36Å; K201-I203 HydrophobicContact CG-CG1 3.97Å
202V91.2Very high89.7Confident17 Ų1748.3 Ų48.310%0.10329%0.288CS..EExtended strand (participates in β ladder)trans-91.9125.8169.7179.90000108.4F152 C170 I172 Y190F152-V202 HydrophobicContact CE1-CG2 4.3Å; C170-V202 HydrophobicContact CB-CG2 3.77Å; I172-V202 HydrophobicContact CD1-CB 4.49Å; I172-V202 HydrophobicContact CD1-CG1 3.74Å; I172-V202 HydrophobicContact CD1-CG2 4.03Å; I172-V202 HydrophobicContact CG1-CG1 4.01Å; I172-V202 HydrophobicContact CG1-CG2 3.81Å; I172-V202 HydrophobicContact CG2-CG1 4.43Å; Y190-V202 HydrophobicContact CD1-CG1 4.01Å
203I90.6Very high89.7Confident42 Ų4254.8 Ų54.822%0.21532%0.316CS..EExtended strand (participates in β ladder)trans-114.6127.2177.4-50.3178.4000108Y190 K191 K201 M205Y190-I203 CarbonylContact C-O 3.51Å; Y190-I203 VanDerWaalsContact CA-O 3.24Å; Y190-I203 WeakPolarHBondContact CA-O 3.42Å; K191-I203 PolarHBondContact N-O 2.92Å; K191-I203 PolarHBondContact O-N 2.84Å; K201-I203 HydrophobicContact CD-CD1 4.41Å; K201-I203 HydrophobicContact CD-CG1 4.19Å; K201-I203 HydrophobicContact CG-CD1 4.36Å; K201-I203 HydrophobicContact CG-CG1 3.97Å; I203-M205 HydrophobicContact CB-SD 4Å; I203-M205 HydrophobicContact CG2-SD 3.7Å; I203-M205 PolarHBondContact O-N 3.03Å
204I92.4Very high90Very high26 Ų2658.9 Ų58.913%0.13333%0.329CS..EExtended strand (participates in β ladder)trans-75.3119.6164.3-174.1164.3000108F188 Y190 V237F188-I204 HydrophobicContact CB-CD1 3.86Å; F188-I204 HydrophobicContact CB-CG1 4.29Å; F188-I204 HydrophobicContact CD1-CD1 3.78Å; F188-I204 HydrophobicContact CD2-CD1 4.41Å; F188-I204 HydrophobicContact CE1-CD1 4.43Å; F188-I204 HydrophobicContact CG-CD1 3.76Å; Y190-I204 HydrophobicContact CD1-CB 3.98Å; Y190-I204 HydrophobicContact CD1-CG1 4.32Å; Y190-I204 HydrophobicContact CE1-CB 3.87Å; Y190-I204 HydrophobicContact CE1-CD1 4.04Å; Y190-I204 HydrophobicContact CE1-CG1 3.99Å; I204-V237 HydrophobicContact CD1-CB 3.81Å; I204-V237 HydrophobicContact CD1-CG2 4.34Å; I204-V237 HydrophobicContact CG1-CB 4.04Å; I204-V237 HydrophobicContact CG1-CG2 4.05Å; I204-V237 HydrophobicContact CG2-CG2 4.03Å
205M93.8Very high90.3Very high56 Ų5652.5 Ų52.528%0.27631%0.305SS..EExtended strand (participates in β ladder)trans-97.8-26.5-172.1-62.6-64-54.100112.3W189 K191 I203 A217W189-M205 HydrophobicContact CD2-CB 3.66Å; W189-M205 HydrophobicContact CD2-CG 4.47Å; W189-M205 VanDerWaalsContact CE2-CB 3.5Å; W189-M205 HydrophobicContact CE3-CB 3.51Å; W189-M205 HydrophobicContact CE3-CG 3.84Å; W189-M205 HydrophobicContact CH2-CB 3.14Å; W189-M205 HydrophobicContact CH2-CE 4.06Å; W189-M205 HydrophobicContact CH2-CG 3.7Å; W189-M205 HydrophobicContact CZ2-CB 3.23Å; W189-M205 HydrophobicContact CZ2-CG 4.27Å; W189-M205 HydrophobicContact CZ3-CB 3.27Å; W189-M205 HydrophobicContact CZ3-CG 3.43Å; W189-M205 VanDerWaalsContact CZ3-CG 3.43Å; W189-M205 PolarHBondContact O-N 3.46Å; K191-M205 HydrophobicContact CB-CG 3.52Å; K191-M205 HydrophobicContact CB-SD 3.72Å; K191-M205 HydrophobicContact CD-SD 4.14Å; I203-M205 HydrophobicContact CB-SD 4Å; I203-M205 HydrophobicContact CG2-SD 3.7Å; I203-M205 PolarHBondContact O-N 3.03Å; M205-A217 WeakPolarHBondContact O-CB 3.3Å; M205-A217 PolarHBondContact O-N 3.49Å
206G96.1Very high90.9Very high0 Ų050.3 Ų50.30%030%0.302CS..EExtended strand (participates in β ladder)trans167.4-154.5177.900000112.9F188 W189 I215F188-G206 WeakPolarHBondContact CA-O 3.42Å; W189-G206 PolarHBondContact N-O 2.86Å; W189-G206 VanDerWaalsContact N-O 3.11Å; G206-I215 CarbonylContact C-O 3.54Å; G206-I215 VanDerWaalsContact CA-O 3.27Å; G206-I215 WeakPolarHBondContact CA-O 3.36Å
207C96.7Very high91.6Very high0 Ų048.5 Ų48.50%028%0.281CS..EExtended strand (participates in β ladder)trans-107.2158.6-168.7-54.40000111K187 W189 I215 Y221 C230 V237 I239K187-C207 CarbonylContact O-C 3.57Å; K187-C207 WeakPolarHBondContact O-CA 3.33Å; W189-C207 VanDerWaalsContact CD1-O 3.23Å; C207-I215 HydrophobicContact CB-CB 4.44Å; C207-I215 PolarHBondContact N-O 2.81Å; C207-I215 PolarHBondContact O-N 3.43Å; C207-Y221 HydrophobicContact CB-CE1 4.22Å; C207-C230 HydrophobicContact CB-CB 3.81Å; C207-C230 WeakPolarHBondContact CB-SG 3.48Å; C207-C230 PolarHBondContact N-SG 2.91Å; C207-C230 WeakPolarHBondContact SG-CA 3.5Å; C207-C230 WeakPolarHBondContact SG-CB 3.31Å; C207-C230 CovalentContact SG-SG 2.04Å; C207-C230 PolarHBondContact SG-SG 2.9Å; C207-V237 WeakPolarHBondContact SG-CG1 3.46Å; C207-I239 HydrophobicContact CB-CD1 4.12Å; C207-I239 HydrophobicContact CB-CG1 3.98Å; C207-I239 WeakPolarHBondContact SG-CG1 3.14Å
208V96.6Very high92.6Very high13 Ų1343 Ų438%0.07926%0.261CS..EExtended strand (participates in β ladder)trans-121.1124.3175.8-178.80000108N184 K187 F188 W189 K213N184-V208 HydrophobicContact CB-CG2 4.27Å; K187-V208 PolarHBondContact O-N 3.41Å; F188-V208 VanDerWaalsContact C-CG2 3.47Å; W189-V208 HydrophobicContact CB-CG2 3.77Å; W189-V208 HydrophobicContact CG-CG2 4.26Å; V208-K213 WeakPolarHBondContact CA-O 3.32Å
209T94.8Very high93.7Very high11 Ų1145.8 Ų45.87%0.06727%0.265CS..  trans-67.9166.1176.666.30000111.1S211 G212 K213 I215 Y221 D223T209-S211 PolarHBondContact O-N 2.78Å; T209-S211 VanDerWaalsContact O-N 3.15Å; T209-S211 PolarHBondContact OG1-N 2.81Å; T209-S211 PolarHBondContact OG1-OG 2.88Å; T209-G212 PolarHBondContact O-N 3.31Å; T209-G212 PolarHBondContact OG1-N 2.82Å; T209-K213 HydrophobicContact CG2-CB 4.15Å; T209-K213 PolarHBondContact N-O 3.26Å; T209-K213 WeakPolarHBondContact OG1-CB 3.48Å; T209-K213 PolarHBondContact OG1-N 2.82Å; T209-I215 HydrophobicContact CG2-CD1 4.02Å; T209-I215 HydrophobicContact CG2-CG1 3.73Å; T209-Y221 HydrophobicContact CG2-CD2 3.66Å; T209-Y221 HydrophobicContact CG2-CE2 3.92Å; T209-D223 WeakPolarHBondContact CA-OD2 3.48Å
210S92.4Very high94.3Very high102 Ų10250.1 Ų50.171%0.71328%0.282SS*.THydrogen-bonded Turntrans-55-29.6172.266.40000113.4G212 D223S210-G212 VanDerWaalsContact C-N 3.33Å; S210-D223 WeakPolarHBondContact CB-OD1 3.43Å; S210-D223 PolarHBondContact N-OD2 2.73Å; S210-D223 PolarHBondContact OG-OD1 3.25Å
211S93.1Very high94.7Very high101 Ų10150.6 Ų50.671%0.70628%0.284SS*.THydrogen-bonded Turntrans-83-0.2174.960.40000114.9T209T209-S211 PolarHBondContact O-N 2.78Å; T209-S211 VanDerWaalsContact O-N 3.15Å; T209-S211 PolarHBondContact OG1-N 2.81Å; T209-S211 PolarHBondContact OG1-OG 2.88Å
212G93.5Very high94.8Very high38 Ų3853.7 Ų53.739%0.39229%0.294SS..  trans85.84.4179.400000115.2T209 S210T209-G212 PolarHBondContact O-N 3.31Å; T209-G212 PolarHBondContact OG1-N 2.82Å; S210-G212 VanDerWaalsContact C-N 3.33Å
213K96Very high94.7Very high137 Ų13754.4 Ų54.460%0.59630%0.297SS*.  trans-71.4136177.4-176.3-177.8174.5-174.20110.1V208 T209 I215V208-K213 WeakPolarHBondContact CA-O 3.32Å; T209-K213 HydrophobicContact CG2-CB 4.15Å; T209-K213 PolarHBondContact N-O 3.26Å; T209-K213 WeakPolarHBondContact OG1-CB 3.48Å; T209-K213 PolarHBondContact OG1-N 2.82Å; K213-I215 HydrophobicContact CD-CD1 4.17Å; K213-I215 HydrophobicContact CG-CD1 4.3Å
214R97.4Very high94.2Very high105 Ų10555.5 Ų55.540%0.39632%0.319SS..EExtended strand (participates in β ladder)trans-80.8134.8173.2-66.1176.1179.9148.21.6110.5N184 W189N184-R214 VanDerWaalsContact OD1-CZ 3.3Å; N184-R214 PolarHBondContact OD1-NE 3Å; N184-R214 PolarHBondContact OD1-NH2 3.04Å; W189-R214 HydrophobicContact CB-CG 4.16Å; W189-R214 HydrophobicContact CD2-CB 4.28Å; W189-R214 HydrophobicContact CD2-CG 4.04Å; W189-R214 HydrophobicContact CG-CB 4.2Å; W189-R214 HydrophobicContact CG-CG 3.75Å
215I97.6Very high93.5Very high7 Ų756.9 Ų56.94%0.03634%0.34CS..EExtended strand (participates in β ladder)trans-122.9133.3176.5-54.3-61000107.1W189 G206 C207 T209 K213 E219 Y221 C230W189-I215 PolarHBondContact NE1-O 2.81Å; G206-I215 CarbonylContact C-O 3.54Å; G206-I215 VanDerWaalsContact CA-O 3.27Å; G206-I215 WeakPolarHBondContact CA-O 3.36Å; C207-I215 HydrophobicContact CB-CB 4.44Å; C207-I215 PolarHBondContact N-O 2.81Å; C207-I215 PolarHBondContact O-N 3.43Å; T209-I215 HydrophobicContact CG2-CD1 4.02Å; T209-I215 HydrophobicContact CG2-CG1 3.73Å; K213-I215 HydrophobicContact CD-CD1 4.17Å; K213-I215 HydrophobicContact CG-CD1 4.3Å; I215-E219 HydrophobicContact CG2-CB 3.65Å; I215-Y221 HydrophobicContact CB-CD1 4.22Å; I215-Y221 HydrophobicContact CB-CG 4.44Å; I215-Y221 HydrophobicContact CD1-CG 4.2Å; I215-Y221 HydrophobicContact CG1-CD1 4.05Å; I215-Y221 HydrophobicContact CG1-CD2 4.15Å; I215-Y221 HydrophobicContact CG1-CG 3.78Å; I215-Y221 HydrophobicContact CG2-CD1 3.66Å; I215-Y221 HydrophobicContact CG2-CE1 4.36Å; I215-Y221 HydrophobicContact CG2-CG 4.09Å; I215-C230 HydrophobicContact CG2-CB 4.08Å
216D96.8Very high93.3Very high83 Ų8358.2 Ų58.244%0.44434%0.344SS..EExtended strand (participates in β ladder)trans-75.5152.3-178.5-72.5-4.5000110.5W189 G218 E219W189-D216 WeakPolarHBondContact CZ2-OD1 3.48Å; D216-G218 PolarHBondContact O-N 2.04Å; D216-E219 HydrophobicContact CB-CG 4.08Å; D216-E219 PolarHBondContact N-OE2 3.08Å; D216-E219 WeakPolarHBondContact O-CB 3.04Å; D216-E219 PolarHBondContact O-N 3.22Å; D216-E219 VanDerWaalsContact O-N 3.15Å
217A94.4Very high93.3Very high28 Ų2858.2 Ų58.223%0.23134%0.344CS..THydrogen-bonded Turntrans-60.2132.117400000110.8M205 Q232 V237M205-A217 WeakPolarHBondContact O-CB 3.3Å; M205-A217 PolarHBondContact O-N 3.49Å; A217-Q232 HydrophobicContact CB-CB 4.22Å; A217-Q232 HydrophobicContact CB-CG 4.41Å; A217-V237 HydrophobicContact CB-CG2 3.77Å
218G94.7Very high93.3Very high43 Ų4359.9 Ų59.944%0.44335%0.351SS..THydrogen-bonded Turntrans95.6-10.6-174.600000114.3D216 H229 C230D216-G218 PolarHBondContact O-N 2.04Å; G218-H229 PolarHBondContact O-NE2 2.89Å; G218-H229 VanDerWaalsContact O-NE2 3.17Å; G218-C230 PolarHBondContact N-O 3.03Å
219E96.8Very high93.4Very high93 Ų9361.3 Ų61.344%0.43536%0.357SS..  trans-87.6144-178.5-62.8-169.6137.500112.9I215 D216 H229 C230I215-E219 HydrophobicContact CG2-CB 3.65Å; D216-E219 HydrophobicContact CB-CG 4.08Å; D216-E219 PolarHBondContact N-OE2 3.08Å; D216-E219 WeakPolarHBondContact O-CB 3.04Å; D216-E219 PolarHBondContact O-N 3.22Å; D216-E219 VanDerWaalsContact O-N 3.15Å; E219-H229 PolarHBondContact O-CD2 3.14Å; E219-C230 WeakPolarHBondContact O-CB 2.99Å; E219-C230 PolarHBondContact O-N 2.8Å
220K96.1Very high93.5Very high97 Ų9760.8 Ų60.842%0.42235%0.354SS..EExtended strand (participates in β ladder)trans-86.3145.6164.3-66.1-174.7-1771800110L227 F228 H229 A242 N256K220-L227 HydrophobicContact CB-CD1 4.24Å; K220-L227 HydrophobicContact CD-CD2 4.1Å; K220-F228 CarbonylContact C-O 3.58Å; K220-F228 WeakPolarHBondContact CA-O 3.18Å; K220-H229 HydrophobicContact CG-CB 4.17Å; K220-A242 HydrophobicContact CD-CB 4.14Å; K220-A242 HydrophobicContact CG-CB 4.33Å; K220-N256 PolarHBondContact NZ-OD1 2.77Å
221Y95.9Very high93.6Very high14 Ų1458.7 Ų58.76%0.05533%0.332CS..EExtended strand (participates in β ladder)trans-150.2154179.966.4-82.8000111.7C207 T209 I215 D223 F228 C230 I239C207-Y221 HydrophobicContact CB-CE1 4.22Å; T209-Y221 HydrophobicContact CG2-CD2 3.66Å; T209-Y221 HydrophobicContact CG2-CE2 3.92Å; I215-Y221 HydrophobicContact CB-CD1 4.22Å; I215-Y221 HydrophobicContact CB-CG 4.44Å; I215-Y221 HydrophobicContact CD1-CG 4.2Å; I215-Y221 HydrophobicContact CG1-CD1 4.05Å; I215-Y221 HydrophobicContact CG1-CD2 4.15Å; I215-Y221 HydrophobicContact CG1-CG 3.78Å; I215-Y221 HydrophobicContact CG2-CD1 3.66Å; I215-Y221 HydrophobicContact CG2-CE1 4.36Å; I215-Y221 HydrophobicContact CG2-CG 4.09Å; Y221-D223 HydrophobicContact CD2-CB 4.13Å; Y221-D223 HydrophobicContact CE2-CB 3.93Å; Y221-F228 HydrophobicContact CD1-CB 4.11Å; Y221-F228 HydrophobicContact CD2-CB 4.3Å; Y221-F228 HydrophobicContact CE1-CB 3.66Å; Y221-F228 HydrophobicContact CE2-CB 3.86Å; Y221-F228 HydrophobicContact CE2-CD2 4.3Å; Y221-F228 HydrophobicContact CE2-CG 4.33Å; Y221-F228 HydrophobicContact CG-CB 4.43Å; Y221-F228 PolarHBondContact N-O 3.31Å; Y221-F228 PolarHBondContact O-N 2.88Å; Y221-C230 HydrophobicContact CD1-CB 4.37Å; Y221-C230 HydrophobicContact CE1-CB 4.02Å; Y221-I239 WeakPolarHBondContact OH-CD1 3.41Å; Y221-I239 WeakPolarHBondContact OH-CG1 3.44Å; Y221-I239 WeakPolarHBondContact OH-CG2 3.33Å
222R93.7Very high93.4Very high114 Ų11460.4 Ų60.443%0.4333%0.329SS..EExtended strand (participates in β ladder)trans-91.9131.4177.6-56179.6-170.2173.40.3109.4F226 L227 V245 E254R222-F226 WeakPolarHBondContact CA-O 3.48Å; R222-L227 HydrophobicContact CG-CD1 4.18Å; R222-V245 HydrophobicContact CG-CG2 3.96Å; R222-E254 IonicContact CZ-OE1 3.32Å; R222-E254 IonicContact NE-OE1 3.69Å; R222-E254 PolarHBondContact NE-OE1 3.04Å; R222-E254 IonicContact NH2-OE1 2.77Å; R222-E254 PolarHBondContact NH2-OE1 2.87Å
223D89.4Confident92.9Very high32 Ų3263.7 Ų63.717%0.17133%0.333CS..EExtended strand (participates in β ladder)trans-149.6137.2171.8-158.2-5.7000108.9T209 S210 Y221 G225 F226 F228T209-D223 WeakPolarHBondContact CA-OD2 3.48Å; S210-D223 WeakPolarHBondContact CB-OD1 3.43Å; S210-D223 PolarHBondContact N-OD2 2.73Å; S210-D223 PolarHBondContact OG-OD1 3.25Å; Y221-D223 HydrophobicContact CD2-CB 4.13Å; Y221-D223 HydrophobicContact CE2-CB 3.93Å; D223-G225 VanDerWaalsContact C-N 3.3Å; D223-G225 PolarHBondContact O-N 3.07Å; D223-G225 VanDerWaalsContact O-N 3.07Å; D223-F226 PolarHBondContact N-O 3.47Å; D223-F226 VanDerWaalsContact N-O 3.13Å; D223-F226 PolarHBondContact O-N 2.5Å; D223-F228 HydrophobicContact CB-CD2 3.76Å; D223-F228 HydrophobicContact CB-CE2 3.85Å; D223-F228 WeakPolarHBondContact O-CE2 3.27Å
224G79.4Confident91.8Very high65 Ų6565.1 Ų65.167%0.6735%0.347SS*.THydrogen-bonded Turntrans50.836175.500000117.3F226G224-F226 VanDerWaalsContact C-N 3.28Å; G224-F226 WeakPolarHBondContact O-CD2 3.43Å; G224-F226 PolarHBondContact O-N 2.74Å
225G78.6Confident90.3Very high56 Ų5666.2 Ų66.258%0.57736%0.36SS*.THydrogen-bonded Turntrans80.7-0.4179.500000115.5D223D223-G225 VanDerWaalsContact C-N 3.3Å; D223-G225 PolarHBondContact O-N 3.07Å; D223-G225 VanDerWaalsContact O-N 3.07Å
226F89.5Confident89.5Confident83 Ų8366.6 Ų66.636%0.36437%0.366SS..EExtended strand (participates in β ladder)trans-117.2163.2178.3-59.2-77.1000111.4R222 D223 G224 F228 F241 V282R222-F226 WeakPolarHBondContact CA-O 3.48Å; D223-F226 PolarHBondContact N-O 3.47Å; D223-F226 VanDerWaalsContact N-O 3.13Å; D223-F226 PolarHBondContact O-N 2.5Å; G224-F226 VanDerWaalsContact C-N 3.28Å; G224-F226 WeakPolarHBondContact O-CD2 3.43Å; G224-F226 PolarHBondContact O-N 2.74Å; F226-F228 HydrophobicContact CB-CD2 4.48Å; F226-F228 HydrophobicContact CB-CE2 3.9Å; F226-F228 HydrophobicContact CB-CZ 4.24Å; F226-F241 HydrophobicContact CB-CD1 4.25Å; F226-F241 HydrophobicContact CB-CE1 4.15Å; F226-F241 HydrophobicContact CD2-CE1 4.46Å; F226-F241 HydrophobicContact CG-CE1 4.17Å; F226-V282 HydrophobicContact CD1-CB 4.41Å; F226-V282 HydrophobicContact CD1-CG1 3.37Å; F226-V282 HydrophobicContact CD1-CG2 4.11Å; F226-V282 HydrophobicContact CE1-CG1 3.62Å; F226-V282 HydrophobicContact CE1-CG2 4.47Å; F226-V282 HydrophobicContact CG-CG1 4.05Å; F226-V282 HydrophobicContact CZ-CG1 4.48Å
227L96.3Very high89.3Confident0 Ų063.5 Ų63.50%035%0.35CS..EExtended strand (participates in β ladder)trans-100.5122.2172.2-171.264.6000108.5K220 R222 A242 G243 V245 E254K220-L227 HydrophobicContact CB-CD1 4.24Å; K220-L227 HydrophobicContact CD-CD2 4.1Å; R222-L227 HydrophobicContact CG-CD1 4.18Å; L227-A242 HydrophobicContact CD2-CB 4.29Å; L227-A242 HydrophobicContact CG-CB 4.09Å; L227-A242 PolarHBondContact O-N 2.91Å; L227-G243 WeakPolarHBondContact CB-O 3.43Å; L227-G243 PolarHBondContact N-O 3.42Å; L227-G243 VanDerWaalsContact N-O 3.08Å; L227-G243 PolarHBondContact O-N 2.79Å; L227-V245 HydrophobicContact CB-CG2 3.93Å; L227-E254 HydrophobicContact CD1-CG 3.8Å; L227-E254 HydrophobicContact CD2-CB 3.88Å; L227-E254 HydrophobicContact CD2-CG 3.95Å; L227-E254 HydrophobicContact CG-CG 4.41Å
228F97.1Very high89.2Confident35 Ų3566.5 Ų66.515%0.15436%0.355CS..EExtended strand (participates in β ladder)trans-107.8158.4175.7-67.9-84.4000110.6K220 Y221 D223 F226 I239 V240 F241K220-F228 CarbonylContact C-O 3.58Å; K220-F228 WeakPolarHBondContact CA-O 3.18Å; Y221-F228 HydrophobicContact CD1-CB 4.11Å; Y221-F228 HydrophobicContact CD2-CB 4.3Å; Y221-F228 HydrophobicContact CE1-CB 3.66Å; Y221-F228 HydrophobicContact CE2-CB 3.86Å; Y221-F228 HydrophobicContact CE2-CD2 4.3Å; Y221-F228 HydrophobicContact CE2-CG 4.33Å; Y221-F228 HydrophobicContact CG-CB 4.43Å; Y221-F228 PolarHBondContact N-O 3.31Å; Y221-F228 PolarHBondContact O-N 2.88Å; D223-F228 HydrophobicContact CB-CD2 3.76Å; D223-F228 HydrophobicContact CB-CE2 3.85Å; D223-F228 WeakPolarHBondContact O-CE2 3.27Å; F226-F228 HydrophobicContact CB-CD2 4.48Å; F226-F228 HydrophobicContact CB-CE2 3.9Å; F226-F228 HydrophobicContact CB-CZ 4.24Å; F228-I239 HydrophobicContact CB-CG2 4.23Å; F228-I239 HydrophobicContact CD1-CG2 3.58Å; F228-I239 HydrophobicContact CE1-CG2 4.26Å; F228-I239 HydrophobicContact CG-CG2 4.15Å; F228-V240 CarbonylContact C-O 3.59Å; F228-V240 VanDerWaalsContact CA-O 3.29Å; F228-V240 WeakPolarHBondContact CA-O 3.01Å; F228-F241 AromaticContact CD1-CD1 3.92Å; F228-F241 HydrophobicContact CD1-CD1 3.92Å; F228-F241 HydrophobicContact CD1-CE1 4.2Å; F228-F241 AromaticContact CE1-CD1 3.42Å; F228-F241 HydrophobicContact CE1-CD1 3.42Å; F228-F241 VanDerWaalsContact CE1-CD1 3.42Å; F228-F241 AromaticContact CE1-CE1 3.25Å; F228-F241 HydrophobicContact CE1-CE1 3.25Å; F228-F241 HydrophobicContact CE1-CG 4.24Å; F228-F241 AromaticContact CE1-CZ 3.93Å; F228-F241 HydrophobicContact CE1-CZ 3.93Å; F228-F241 HydrophobicContact CE2-CE1 4.39Å; F228-F241 AromaticContact CZ-CD1 3.86Å; F228-F241 HydrophobicContact CZ-CD1 3.86Å; F228-F241 AromaticContact CZ-CE1 3.38Å; F228-F241 HydrophobicContact CZ-CE1 3.38Å; F228-F241 HydrophobicContact CZ-CZ 4.2Å
229H97.2Very high89.2Confident43 Ų4366.7 Ų66.720%0.19935%0.345CS..EExtended strand (participates in β ladder)trans-121.6124.8169.1-178.8-174.2000108.7G218 E219 K220 K231 V240 A242G218-H229 PolarHBondContact O-NE2 2.89Å; G218-H229 VanDerWaalsContact O-NE2 3.17Å; E219-H229 PolarHBondContact O-CD2 3.14Å; K220-H229 HydrophobicContact CG-CB 4.17Å; H229-K231 PolarHBondContact O-N 2.85Å; H229-V240 HydrophobicContact CB-CG2 4Å; H229-V240 PolarHBondContact N-O 2.91Å; H229-V240 PolarHBondContact O-N 2.69Å; H229-A242 HydrophobicContact CB-CB 3.81Å
230C96.9Very high89.2Confident0 Ų062.8 Ų62.80%033%0.328CS..EExtended strand (participates in β ladder)trans-75.968.2170.3-167.40000110.5C207 I215 G218 E219 Y221 Q232 V237 R238C207-C230 HydrophobicContact CB-CB 3.81Å; C207-C230 WeakPolarHBondContact CB-SG 3.48Å; C207-C230 PolarHBondContact N-SG 2.91Å; C207-C230 WeakPolarHBondContact SG-CA 3.5Å; C207-C230 WeakPolarHBondContact SG-CB 3.31Å; C207-C230 CovalentContact SG-SG 2.04Å; C207-C230 PolarHBondContact SG-SG 2.9Å; I215-C230 HydrophobicContact CG2-CB 4.08Å; G218-C230 PolarHBondContact N-O 3.03Å; E219-C230 WeakPolarHBondContact O-CB 2.99Å; E219-C230 PolarHBondContact O-N 2.8Å; Y221-C230 HydrophobicContact CD1-CB 4.37Å; Y221-C230 HydrophobicContact CE1-CB 4.02Å; C230-Q232 PolarHBondContact O-N 3.22Å; C230-V237 WeakPolarHBondContact SG-CG1 3.48Å; C230-R238 CarbonylContact C-O 3.45Å
231K95Very high89.2Confident58 Ų5860.5 Ų60.525%0.25232%0.318SS..EExtended strand (participates in β ladder)trans-71.1122.8-165.6-169.5169.9-176.9175.60111.7H229 R238 V240 E279H229-K231 PolarHBondContact O-N 2.85Å; K231-R238 HydrophobicContact CB-CG 4.34Å; K231-R238 PolarHBondContact N-O 2.68Å; K231-R238 PolarHBondContact O-N 3.48Å; K231-V240 HydrophobicContact CB-CG2 4.03Å; K231-V240 HydrophobicContact CD-CG2 4.19Å; K231-E279 VanDerWaalsContact NZ-CD 3.28Å; K231-E279 IonicContact NZ-OE1 3.02Å; K231-E279 PolarHBondContact NZ-OE1 2.78Å; K231-E279 IonicContact NZ-OE2 2.79Å; K231-E279 PolarHBondContact NZ-OE2 2.86Å; K231-E279 VanDerWaalsContact NZ-OE2 3.14Å
232Q89.9Confident89.3Confident137 Ų13760.3 Ų60.364%0.6432%0.32SS*.EExtended strand (participates in β ladder)trans-76138.6171.7-165.8172.136.400110.6A217 C230A217-Q232 HydrophobicContact CB-CB 4.22Å; A217-Q232 HydrophobicContact CB-CG 4.41Å; C230-Q232 PolarHBondContact O-N 3.22Å
233K82.3Confident89.4Confident108 Ų10854.9 Ų54.947%0.4730%0.299SS..EExtended strand (participates in β ladder)trans-129.5166.5168.4-75.9-162.6168-168.90109.2L235 G236 R238K233-L235 PolarHBondContact O-N 2.62Å; K233-G236 PolarHBondContact N-O 2.78Å; K233-G236 PolarHBondContact O-N 3.42Å; K233-G236 VanDerWaalsContact O-N 3.14Å; K233-R238 VanDerWaalsContact CE-CZ 3.44Å
234D73.9Confident89.7Confident167 Ų16753.7 Ų53.789%0.89329%0.293SS*.THydrogen-bonded Turntrans-50.4-36.3-179.1-54.7-35.8000113.4
235L65.1Low90.4Very high127 Ų12751.8 Ų51.867%0.66527%0.269SS*.THydrogen-bonded Turntrans-108.74.1-173.8-62.4176000114.5K233K233-L235 PolarHBondContact O-N 2.62Å
236G81.2Confident91.1Very high16 Ų1649.8 Ų49.817%0.16525%0.246CC..EExtended strand (participates in β ladder)trans161-156.8179.800000115.1K233K233-G236 PolarHBondContact N-O 2.78Å; K233-G236 PolarHBondContact O-N 3.42Å; K233-G236 VanDerWaalsContact O-N 3.14Å
237V91.7Very high91.2Very high18 Ų1852.1 Ų52.111%0.10926%0.256CS..EExtended strand (participates in β ladder)trans-127.1139.4-176.5176.50000108.8F188 I204 C207 A217 C230F188-V237 HydrophobicContact CD1-CG1 4.28Å; F188-V237 HydrophobicContact CE1-CB 4.47Å; F188-V237 HydrophobicContact CE1-CG1 4.15Å; F188-V237 WeakPolarHBondContact CE1-O 3.3Å; I204-V237 HydrophobicContact CD1-CB 3.81Å; I204-V237 HydrophobicContact CD1-CG2 4.34Å; I204-V237 HydrophobicContact CG1-CB 4.04Å; I204-V237 HydrophobicContact CG1-CG2 4.05Å; I204-V237 HydrophobicContact CG2-CG2 4.03Å; C207-V237 WeakPolarHBondContact SG-CG1 3.46Å; A217-V237 HydrophobicContact CB-CG2 3.77Å; C230-V237 WeakPolarHBondContact SG-CG1 3.48Å
238R92.6Very high91Very high91 Ų9153.2 Ų53.234%0.34326%0.261SS..EExtended strand (participates in β ladder)trans-131.5153.7171.765.9174-169.8177.86.2110.9C230 K231 K233 V240 E279C230-R238 CarbonylContact C-O 3.45Å; K231-R238 HydrophobicContact CB-CG 4.34Å; K231-R238 PolarHBondContact N-O 2.68Å; K231-R238 PolarHBondContact O-N 3.48Å; K233-R238 VanDerWaalsContact CE-CZ 3.44Å; R238-V240 HydrophobicContact CG-CG1 4.06Å; R238-E279 IonicContact CZ-OE2 2.86Å; R238-E279 IonicContact NH2-OE2 2.72Å; R238-E279 PolarHBondContact NH2-OE2 2.85Å
239I94.8Very high90.5Very high47 Ų4758.9 Ų58.924%0.24129%0.286CS..EExtended strand (participates in β ladder)trans-95.5125.2172.8-61.9167.5000107.5K187 F188 C207 Y221 F228K187-I239 HydrophobicContact CB-CD1 3.71Å; K187-I239 HydrophobicContact CD-CD1 4.13Å; K187-I239 HydrophobicContact CG-CD1 4.48Å; F188-I239 HydrophobicContact CE1-CD1 4.3Å; F188-I239 HydrophobicContact CE1-CG1 4.11Å; C207-I239 HydrophobicContact CB-CD1 4.12Å; C207-I239 HydrophobicContact CB-CG1 3.98Å; C207-I239 WeakPolarHBondContact SG-CG1 3.14Å; Y221-I239 WeakPolarHBondContact OH-CD1 3.41Å; Y221-I239 WeakPolarHBondContact OH-CG1 3.44Å; Y221-I239 WeakPolarHBondContact OH-CG2 3.33Å; F228-I239 HydrophobicContact CB-CG2 4.23Å; F228-I239 HydrophobicContact CD1-CG2 3.58Å; F228-I239 HydrophobicContact CE1-CG2 4.26Å; F228-I239 HydrophobicContact CG-CG2 4.15Å
240V95.8Very high90Very high11 Ų1158.5 Ų58.57%0.06729%0.294CS..EExtended strand (participates in β ladder)trans-130.3156.9175.1-65.40000110F228 H229 K231 R238 E279F228-V240 CarbonylContact C-O 3.59Å; F228-V240 VanDerWaalsContact CA-O 3.29Å; F228-V240 WeakPolarHBondContact CA-O 3.01Å; H229-V240 HydrophobicContact CB-CG2 4Å; H229-V240 PolarHBondContact N-O 2.91Å; H229-V240 PolarHBondContact O-N 2.69Å; K231-V240 HydrophobicContact CB-CG2 4.03Å; K231-V240 HydrophobicContact CD-CG2 4.19Å; R238-V240 HydrophobicContact CG-CG1 4.06Å; V240-E279 HydrophobicContact CB-CB 3.81Å; V240-E279 HydrophobicContact CB-CG 4.11Å; V240-E279 WeakPolarHBondContact CB-O 3.29Å; V240-E279 HydrophobicContact CG1-CB 4.03Å; V240-E279 HydrophobicContact CG2-CB 4.36Å; V240-E279 HydrophobicContact CG2-CG 4.09Å
241F97.4Very high89.7Confident48 Ų4862.7 Ų62.721%0.21132%0.319CS..EExtended strand (participates in β ladder)trans-67.3141.9167.7-66.5-70.6000110.1F226 F228 F257 N278 E279 E280 V282F226-F241 HydrophobicContact CB-CD1 4.25Å; F226-F241 HydrophobicContact CB-CE1 4.15Å; F226-F241 HydrophobicContact CD2-CE1 4.46Å; F226-F241 HydrophobicContact CG-CE1 4.17Å; F228-F241 AromaticContact CD1-CD1 3.92Å; F228-F241 HydrophobicContact CD1-CD1 3.92Å; F228-F241 HydrophobicContact CD1-CE1 4.2Å; F228-F241 AromaticContact CE1-CD1 3.42Å; F228-F241 HydrophobicContact CE1-CD1 3.42Å; F228-F241 VanDerWaalsContact CE1-CD1 3.42Å; F228-F241 AromaticContact CE1-CE1 3.25Å; F228-F241 HydrophobicContact CE1-CE1 3.25Å; F228-F241 HydrophobicContact CE1-CG 4.24Å; F228-F241 AromaticContact CE1-CZ 3.93Å; F228-F241 HydrophobicContact CE1-CZ 3.93Å; F228-F241 HydrophobicContact CE2-CE1 4.39Å; F228-F241 AromaticContact CZ-CD1 3.86Å; F228-F241 HydrophobicContact CZ-CD1 3.86Å; F228-F241 AromaticContact CZ-CE1 3.38Å; F228-F241 HydrophobicContact CZ-CE1 3.38Å; F228-F241 HydrophobicContact CZ-CZ 4.2Å; F241-F257 HydrophobicContact CB-CZ 3.83Å; F241-N278 WeakPolarHBondContact CB-O 3.37Å; F241-E279 PolarHBondContact N-O 3.15Å; F241-E279 VanDerWaalsContact N-O 3.09Å; F241-E280 WeakPolarHBondContact CD2-O 3.1Å; F241-E280 WeakPolarHBondContact CE2-O 3.42Å; F241-V282 HydrophobicContact CB-CB 4.27Å; F241-V282 HydrophobicContact CB-CG1 4.36Å; F241-V282 HydrophobicContact CD1-CB 4.12Å; F241-V282 HydrophobicContact CD1-CG1 3.31Å; F241-V282 HydrophobicContact CD2-CG1 4.09Å; F241-V282 HydrophobicContact CE1-CG1 3.38Å; F241-V282 HydrophobicContact CE2-CG1 4.16Å; F241-V282 HydrophobicContact CG-CB 4.06Å; F241-V282 HydrophobicContact CG-CG1 3.67Å; F241-V282 HydrophobicContact CZ-CG1 3.83Å
242A97.1Very high89.6Confident11 Ų1163.7 Ų63.79%0.09133%0.327CS..EExtended strand (participates in β ladder)trans-120.2-13.7177.600000112.4K220 L227 H229K220-A242 HydrophobicContact CD-CB 4.14Å; K220-A242 HydrophobicContact CG-CB 4.33Å; L227-A242 HydrophobicContact CD2-CB 4.29Å; L227-A242 HydrophobicContact CG-CB 4.09Å; L227-A242 PolarHBondContact O-N 2.91Å; H229-A242 HydrophobicContact CB-CB 3.81Å
243G96.2Very high89.8Confident0 Ų061.1 Ų61.10%031%0.314CS..EExtended strand (participates in β ladder)trans153.4-155.8177.100000112.9L227 F255 C275L227-G243 WeakPolarHBondContact CB-O 3.43Å; L227-G243 PolarHBondContact N-O 3.42Å; L227-G243 VanDerWaalsContact N-O 3.08Å; L227-G243 PolarHBondContact O-N 2.79Å; G243-F255 CarbonylContact C-O 3.58Å; G243-F255 VanDerWaalsContact CA-O 3.23Å; G243-F255 WeakPolarHBondContact CA-O 3.46Å; G243-C275 VanDerWaalsContact C-SG 3.52Å
244C95.2Very high90.4Very high6 Ų659.8 Ų59.84%0.04131%0.309CS..EExtended strand (participates in β ladder)trans-111153.3-172.2-57.90000110.5F255 W261 C275 V282C244-F255 HydrophobicContact CB-CB 4.47Å; C244-F255 PolarHBondContact N-O 3.05Å; C244-F255 PolarHBondContact O-N 2.83Å; C244-W261 HydrophobicContact CB-CH2 3.9Å; C244-W261 HydrophobicContact CB-CZ3 4.07Å; C244-C275 HydrophobicContact CB-CB 3.74Å; C244-C275 WeakPolarHBondContact CB-SG 3.21Å; C244-C275 PolarHBondContact N-SG 3.26Å; C244-C275 WeakPolarHBondContact SG-CA 3.37Å; C244-C275 WeakPolarHBondContact SG-CB 3.49Å; C244-C275 CovalentContact SG-SG 2.05Å; C244-C275 PolarHBondContact SG-SG 3.34Å; C244-V282 VanDerWaalsContact SG-CG2 3.55Å
245V95.1Very high91.4Very high26 Ų2652.5 Ų52.516%0.15827%0.269CS..EExtended strand (participates in β ladder)trans-119.2120.2170.8-178.90000107.6R222 L227 L252 K253 E254R222-V245 HydrophobicContact CG-CG2 3.96Å; L227-V245 HydrophobicContact CB-CG2 3.93Å; V245-L252 HydrophobicContact CG1-CD1 3.61Å; V245-L252 HydrophobicContact CG1-CD2 4.09Å; V245-L252 HydrophobicContact CG1-CG 3.74Å; V245-K253 WeakPolarHBondContact CA-O 3.44Å; V245-E254 HydrophobicContact CG2-CG 4.44Å
246A93.3Very high92.9Very high13 Ų1349.3 Ų49.311%0.10725%0.253CS..EExtended strand (participates in β ladder)trans-144.2157.7-177.300000111.7K253 F255 W261A246-K253 PolarHBondContact N-O 3.32Å; A246-K253 PolarHBondContact O-N 2.97Å; A246-F255 HydrophobicContact CB-CD2 4.18Å; A246-F255 HydrophobicContact CB-CE2 3.97Å; A246-W261 HydrophobicContact CB-CD2 3.92Å; A246-W261 HydrophobicContact CB-CG 4.3Å; A246-W261 HydrophobicContact CB-CH2 4.33Å; A246-W261 HydrophobicContact CB-CZ2 3.56Å
247K92Very high93.6Very high132 Ų13251.6 Ų51.657%0.57426%0.259SS*.EExtended strand (participates in β ladder)trans-88.6118.3173.3-71-175.4-178.5177.40109.7V251 L252K247-V251 CarbonylContact C-O 3.55Å; K247-V251 VanDerWaalsContact CA-O 3.32Å; K247-V251 WeakPolarHBondContact CA-O 3.39Å; K247-L252 HydrophobicContact CG-CB 4.4Å; K247-L252 HydrophobicContact CG-CD1 3.78Å
248E91.1Very high93.8Very high24 Ų2453.6 Ų53.611%0.11228%0.283CS..EExtended strand (participates in β ladder)trans-113.3122.5171.5-165.1-171.1-138.400108.4G250 V251 K253 F255 W261 Y262E248-G250 PolarHBondContact O-N 2.8Å; E248-G250 VanDerWaalsContact O-N 3.1Å; E248-V251 PolarHBondContact N-O 2.86Å; E248-V251 PolarHBondContact O-N 2.95Å; E248-K253 HydrophobicContact CB-CD 4.26Å; E248-K253 IonicContact OE2-NZ 2.65Å; E248-K253 PolarHBondContact OE2-NZ 3.38Å; E248-F255 HydrophobicContact CB-CZ 4.08Å; E248-W261 HydrophobicContact CB-CB 4.34Å; E248-W261 HydrophobicContact CG-CB 4.12Å; E248-Y262 PolarHBondContact OE1-N 2.95Å
249F86.3Confident94Very high154 Ų15453.1 Ų53.168%0.67529%0.285SS*.THydrogen-bonded Turntrans51.932-173.3-52.1-69.5000114V251F249-V251 VanDerWaalsContact C-N 3.3Å; F249-V251 PolarHBondContact O-N 2.96Å
250G86.1Confident94.1Very high35 Ų3552.8 Ų52.836%0.36129%0.287SS..THydrogen-bonded Turntrans86.2-11.2-179.800000115.2E248E248-G250 PolarHBondContact O-N 2.8Å; E248-G250 VanDerWaalsContact O-N 3.1Å
251V91.4Very high94.1Very high88 Ų8853 Ų5353%0.53329%0.286SS..EExtended strand (participates in β ladder)trans-92.5129.3176.9-177.80000109.5K247 E248 F249 K253K247-V251 CarbonylContact C-O 3.55Å; K247-V251 VanDerWaalsContact CA-O 3.32Å; K247-V251 WeakPolarHBondContact CA-O 3.39Å; E248-V251 PolarHBondContact N-O 2.86Å; E248-V251 PolarHBondContact O-N 2.95Å; F249-V251 VanDerWaalsContact C-N 3.3Å; F249-V251 PolarHBondContact O-N 2.96Å; V251-K253 HydrophobicContact CG1-CG 4.22Å; V251-K253 PolarHBondContact O-N 2.98Å
252L92.4Very high94Very high78 Ų7854.2 Ų54.241%0.40829%0.29SS..EExtended strand (participates in β ladder)trans-74.6113.3176-168.368.9000109.6V245 K247V245-L252 HydrophobicContact CG1-CD1 3.61Å; V245-L252 HydrophobicContact CG1-CD2 4.09Å; V245-L252 HydrophobicContact CG1-CG 3.74Å; K247-L252 HydrophobicContact CG-CB 4.4Å; K247-L252 HydrophobicContact CG-CD1 3.78Å
253K94.6Very high93.8Very high83 Ų8355.4 Ų55.436%0.36130%0.296SS..EExtended strand (participates in β ladder)trans-119.7161.8-177.9-66.7-173.1-173.6174.10111.5V245 A246 E248 V251 F255V245-K253 WeakPolarHBondContact CA-O 3.44Å; A246-K253 PolarHBondContact N-O 3.32Å; A246-K253 PolarHBondContact O-N 2.97Å; E248-K253 HydrophobicContact CB-CD 4.26Å; E248-K253 IonicContact OE2-NZ 2.65Å; E248-K253 PolarHBondContact OE2-NZ 3.38Å; V251-K253 HydrophobicContact CG1-CG 4.22Å; V251-K253 PolarHBondContact O-N 2.98Å; K253-F255 HydrophobicContact CB-CE2 3.68Å; K253-F255 HydrophobicContact CB-CZ 3.69Å; K253-F255 HydrophobicContact CD-CZ 4.2Å
254E95.4Very high93.6Very high81 Ų8163.5 Ų63.538%0.37933%0.327SS..EExtended strand (participates in β ladder)trans-102.7138.7175-74.4168.9-151.200109.3R222 L227 V245R222-E254 IonicContact CZ-OE1 3.32Å; R222-E254 IonicContact NE-OE1 3.69Å; R222-E254 PolarHBondContact NE-OE1 3.04Å; R222-E254 IonicContact NH2-OE1 2.77Å; R222-E254 PolarHBondContact NH2-OE1 2.87Å; L227-E254 HydrophobicContact CD1-CG 3.8Å; L227-E254 HydrophobicContact CD2-CB 3.88Å; L227-E254 HydrophobicContact CD2-CG 3.95Å; L227-E254 HydrophobicContact CG-CG 4.41Å; V245-E254 HydrophobicContact CG2-CG 4.44Å
255F95.2Very high93.3Very high13 Ų1367 Ų676%0.05735%0.349CS..EExtended strand (participates in β ladder)trans-129.7120.2-179.4-62.1-82000109.3G243 C244 A246 E248 K253 E259 W261 C275G243-F255 CarbonylContact C-O 3.58Å; G243-F255 VanDerWaalsContact CA-O 3.23Å; G243-F255 WeakPolarHBondContact CA-O 3.46Å; C244-F255 HydrophobicContact CB-CB 4.47Å; C244-F255 PolarHBondContact N-O 3.05Å; C244-F255 PolarHBondContact O-N 2.83Å; A246-F255 HydrophobicContact CB-CD2 4.18Å; A246-F255 HydrophobicContact CB-CE2 3.97Å; E248-F255 HydrophobicContact CB-CZ 4.08Å; K253-F255 HydrophobicContact CB-CE2 3.68Å; K253-F255 HydrophobicContact CB-CZ 3.69Å; K253-F255 HydrophobicContact CD-CZ 4.2Å; F255-E259 VanDerWaalsContact CA-OE2 3.31Å; F255-E259 WeakPolarHBondContact CA-OE2 3.42Å; F255-E259 HydrophobicContact CB-CB 4.25Å; F255-E259 HydrophobicContact CD1-CB 4.32Å; F255-W261 HydrophobicContact CB-CE3 4.06Å; F255-W261 HydrophobicContact CB-CZ3 4.14Å; F255-W261 HydrophobicContact CD1-CB 4.2Å; F255-W261 AromaticContact CD1-CE3 4Å; F255-W261 HydrophobicContact CD1-CE3 4Å; F255-W261 HydrophobicContact CD2-CD2 4.04Å; F255-W261 AromaticContact CD2-CE3 3.69Å; F255-W261 HydrophobicContact CD2-CE3 3.69Å; F255-W261 HydrophobicContact CD2-CG 4.44Å; F255-W261 HydrophobicContact CD2-CZ3 4.22Å; F255-W261 HydrophobicContact CE1-CB 3.52Å; F255-W261 HydrophobicContact CE1-CE3 4.42Å; F255-W261 HydrophobicContact CE1-CG 4.34Å; F255-W261 HydrophobicContact CE2-CB 3.95Å; F255-W261 HydrophobicContact CE2-CD2 4.05Å; F255-W261 HydrophobicContact CE2-CE3 4.14Å; F255-W261 AromaticContact CE2-CG 3.98Å; F255-W261 HydrophobicContact CE2-CG 3.98Å; F255-W261 HydrophobicContact CG-CD2 4.34Å; F255-W261 AromaticContact CG-CE3 3.62Å; F255-W261 HydrophobicContact CG-CE3 3.62Å; F255-W261 HydrophobicContact CG-CZ3 4.15Å; F255-W261 HydrophobicContact CZ-CB 3.37Å; F255-W261 HydrophobicContact CZ-CD2 4.35Å; F255-W261 HydrophobicContact CZ-CE3 4.49Å; F255-W261 AromaticContact CZ-CG 3.93Å; F255-W261 HydrophobicContact CZ-CG 3.93Å; F255-C275 HydrophobicContact CB-CB 4.33Å
256N95.6Very high93Very high61 Ų6171.4 Ų71.433%0.32638%0.376SS..EExtended strand (participates in β ladder)trans-68.3163.2172.5-56.9-63000110.5K220 G258 E259K220-N256 PolarHBondContact NZ-OD1 2.77Å; N256-G258 PolarHBondContact O-N 3.37Å; N256-E259 HydrophobicContact CB-CG 4.19Å; N256-E259 PolarHBondContact N-OE2 2.86Å; N256-E259 PolarHBondContact ND2-OE1 2.79Å; N256-E259 PolarHBondContact ND2-OE2 2.83Å; N256-E259 WeakPolarHBondContact O-CB 3.34Å; N256-E259 PolarHBondContact O-N 2.84Å
257F96.3Very high92.8Very high63 Ų6374.3 Ų74.328%0.27641%0.407SS..THydrogen-bonded Turntrans-56.5133.2174.1-59.2-60.6000111.6F241 E259 C275 G277 N278 V282F241-F257 HydrophobicContact CB-CZ 3.83Å; F257-E259 VanDerWaalsContact C-N 3.29Å; F257-E259 PolarHBondContact O-N 3.4Å; F257-C275 WeakPolarHBondContact CA-O 3.01Å; F257-G277 VanDerWaalsContact CD1-C 3.49Å; F257-N278 VanDerWaalsContact CE2-C 3.41Å; F257-N278 WeakPolarHBondContact CE2-O 3.33Å; F257-N278 WeakPolarHBondContact CZ-O 3.15Å; F257-V282 HydrophobicContact CE1-CB 4.06Å; F257-V282 HydrophobicContact CE1-CG2 3.89Å
258G96.1Very high92.7Very high61 Ų6169.9 Ų69.963%0.62939%0.393SS*.THydrogen-bonded Turntrans86.3-15.4-175.100000114.8N256 C275N256-G258 PolarHBondContact O-N 3.37Å; G258-C275 PolarHBondContact N-O 2.88Å
259E97.5Very high92.8Very high81 Ų8170.2 Ų70.238%0.37940%0.395SS..  trans-76.2150173-64.5177.3172.900110.8F255 N256 F257 V274 C275F255-E259 VanDerWaalsContact CA-OE2 3.31Å; F255-E259 WeakPolarHBondContact CA-OE2 3.42Å; F255-E259 HydrophobicContact CB-CB 4.25Å; F255-E259 HydrophobicContact CD1-CB 4.32Å; N256-E259 HydrophobicContact CB-CG 4.19Å; N256-E259 PolarHBondContact N-OE2 2.86Å; N256-E259 PolarHBondContact ND2-OE1 2.79Å; N256-E259 PolarHBondContact ND2-OE2 2.83Å; N256-E259 WeakPolarHBondContact O-CB 3.34Å; N256-E259 PolarHBondContact O-N 2.84Å; F257-E259 VanDerWaalsContact C-N 3.29Å; F257-E259 PolarHBondContact O-N 3.4Å; E259-V274 WeakPolarHBondContact O-CA 3.35Å; E259-V274 WeakPolarHBondContact O-CG2 3.46Å; E259-C275 PolarHBondContact O-N 2.59Å
260S96.3Very high93.2Very high39 Ų3963.6 Ų63.627%0.27337%0.368SS..EExtended strand (participates in β ladder)trans-129.9152.9-178.667.70000111.9R272 V273S260-R272 PolarHBondContact OG-NE 2.6Å; S260-V273 CarbonylContact C-O 3.6Å; S260-V273 WeakPolarHBondContact CA-O 3.2Å; S260-V273 WeakPolarHBondContact CB-O 3.07Å
261W96.2Very high93.6Very high15 Ų1564.3 Ų64.36%0.05736%0.36CS..EExtended strand (participates in β ladder)trans-134.3162.3177.166.995.5000111.6C244 A246 E248 F255 R272 V273 C275 A284C244-W261 HydrophobicContact CB-CH2 3.9Å; C244-W261 HydrophobicContact CB-CZ3 4.07Å; A246-W261 HydrophobicContact CB-CD2 3.92Å; A246-W261 HydrophobicContact CB-CG 4.3Å; A246-W261 HydrophobicContact CB-CH2 4.33Å; A246-W261 HydrophobicContact CB-CZ2 3.56Å; E248-W261 HydrophobicContact CB-CB 4.34Å; E248-W261 HydrophobicContact CG-CB 4.12Å; F255-W261 HydrophobicContact CB-CE3 4.06Å; F255-W261 HydrophobicContact CB-CZ3 4.14Å; F255-W261 HydrophobicContact CD1-CB 4.2Å; F255-W261 AromaticContact CD1-CE3 4Å; F255-W261 HydrophobicContact CD1-CE3 4Å; F255-W261 HydrophobicContact CD2-CD2 4.04Å; F255-W261 AromaticContact CD2-CE3 3.69Å; F255-W261 HydrophobicContact CD2-CE3 3.69Å; F255-W261 HydrophobicContact CD2-CG 4.44Å; F255-W261 HydrophobicContact CD2-CZ3 4.22Å; F255-W261 HydrophobicContact CE1-CB 3.52Å; F255-W261 HydrophobicContact CE1-CE3 4.42Å; F255-W261 HydrophobicContact CE1-CG 4.34Å; F255-W261 HydrophobicContact CE2-CB 3.95Å; F255-W261 HydrophobicContact CE2-CD2 4.05Å; F255-W261 HydrophobicContact CE2-CE3 4.14Å; F255-W261 AromaticContact CE2-CG 3.98Å; F255-W261 HydrophobicContact CE2-CG 3.98Å; F255-W261 HydrophobicContact CG-CD2 4.34Å; F255-W261 AromaticContact CG-CE3 3.62Å; F255-W261 HydrophobicContact CG-CE3 3.62Å; F255-W261 HydrophobicContact CG-CZ3 4.15Å; F255-W261 HydrophobicContact CZ-CB 3.37Å; F255-W261 HydrophobicContact CZ-CD2 4.35Å; F255-W261 HydrophobicContact CZ-CE3 4.49Å; F255-W261 AromaticContact CZ-CG 3.93Å; F255-W261 HydrophobicContact CZ-CG 3.93Å; W261-R272 WeakPolarHBondContact O-CA 3.34Å; W261-V273 HydrophobicContact CD2-CB 4.17Å; W261-V273 HydrophobicContact CH2-CB 4.2Å; W261-V273 HydrophobicContact CH2-CG1 3.55Å; W261-V273 HydrophobicContact CZ2-CB 3.73Å; W261-V273 HydrophobicContact CZ2-CG1 3.32Å; W261-V273 HydrophobicContact CZ3-CG1 4.25Å; W261-V273 PolarHBondContact N-O 2.83Å; W261-V273 PolarHBondContact O-N 2.75Å; W261-C275 HydrophobicContact CZ3-CB 3.95Å; W261-A284 HydrophobicContact CH2-CB 3.8Å; W261-A284 HydrophobicContact CZ2-CB 4.03Å
262Y95Very high93.9Very high75 Ų7563.2 Ų63.229%0.29435%0.346SS..EExtended strand (participates in β ladder)trans-94.2131.8173-63.5-77.7000110.9E248 Y271 R272 I290E248-Y262 PolarHBondContact OE1-N 2.95Å; Y262-Y271 WeakPolarHBondContact CA-O 3.49Å; Y262-R272 HydrophobicContact CD1-CB 4.01Å; Y262-R272 HydrophobicContact CD1-CG 4.29Å; Y262-R272 HydrophobicContact CE1-CB 3.89Å; Y262-R272 HydrophobicContact CE1-CG 4.02Å; Y262-I290 HydrophobicContact CD1-CD1 3.29Å; Y262-I290 HydrophobicContact CE1-CD1 3.35Å
263T93.4Very high94.1Very high35 Ų3560 Ų6022%0.21533%0.33CS..PPolyproline II helixtrans-69.8157.9172.8690000110.3Y271 V273T263-Y271 PolarHBondContact N-O 3Å; T263-Y271 PolarHBondContact OG1-N 3.36Å; T263-Y271 PolarHBondContact OG1-O 3.4Å; T263-V273 HydrophobicContact CG2-CG2 3.59Å
264R90.9Very high94.2Very high171 Ų17157.2 Ų57.265%0.64532%0.32SS*.PPolyproline II helixtrans-58134.8166.3-175.7179.2-68.9-179.1-5.3109.1
265P90.2Very high94.2Very high78 Ų7853.4 Ų53.451%0.50630%0.302SS..PPolyproline II helixtrans-61136.2173-23.633.8000112.1L269P265-L269 CarbonylContact C-O 3.53Å; P265-L269 VanDerWaalsContact CA-O 3.27Å; P265-L269 WeakPolarHBondContact CA-O 3.47Å
266V87Confident94.3Very high119 Ų11953.7 Ų53.772%0.72131%0.307SS*.BIsolated β-bridgetrans-107.7101.2166.8-178.20000106.1S268 L269V266-S268 PolarHBondContact O-N 3.13Å; V266-L269 PolarHBondContact N-O 2.74Å; V266-L269 PolarHBondContact O-N 3.18Å
267G89.5Confident94.3Very high75 Ų7552.7 Ų52.777%0.77331%0.311SS*.THydrogen-bonded Turntrans63.4-126.6-166.400000111
268S89.6Confident94.3Very high38 Ų3853.3 Ų53.327%0.26632%0.317SS..THydrogen-bonded Turntrans-89.9-017855.90000114.4V266 N292 M293V266-S268 PolarHBondContact O-N 3.13Å; S268-N292 VanDerWaalsContact CB-O 3.32Å; S268-N292 WeakPolarHBondContact CB-O 3.32Å; S268-N292 PolarHBondContact O-N 3.32Å; S268-M293 WeakPolarHBondContact OG-CG 3.48Å; S268-M293 PolarHBondContact OG-SD 2.65Å
269L93.6Very high94.3Very high32 Ų3253.3 Ų53.317%0.16830%0.301CS..EExtended strand (participates in β ladder)trans-109.2139.4-174.1-64.3177000111.2P265 V266 I290 A291 F314 A326 F328P265-L269 CarbonylContact C-O 3.53Å; P265-L269 VanDerWaalsContact CA-O 3.27Å; P265-L269 WeakPolarHBondContact CA-O 3.47Å; V266-L269 PolarHBondContact N-O 2.74Å; V266-L269 PolarHBondContact O-N 3.18Å; L269-I290 CarbonylContact C-O 3.56Å; L269-I290 WeakPolarHBondContact CA-O 3.37Å; L269-A291 HydrophobicContact CD2-CB 4.22Å; L269-F314 HydrophobicContact CD2-CD2 4.4Å; L269-F314 HydrophobicContact CD2-CE2 3.65Å; L269-F314 HydrophobicContact CD2-CZ 4.25Å; L269-A326 HydrophobicContact CD1-CB 4.06Å; L269-A326 WeakPolarHBondContact CD1-O 3.01Å; L269-A326 HydrophobicContact CD2-CB 4.22Å; L269-F328 HydrophobicContact CD2-CD2 4.2Å; L269-F328 HydrophobicContact CD2-CE2 3.52Å; L269-F328 HydrophobicContact CD2-CZ 4.21Å; L269-F328 HydrophobicContact CG-CE2 4.22Å
270S94.3Very high94.2Very high14 Ų1457.1 Ų57.110%0.09832%0.318CS..EExtended strand (participates in β ladder)trans-146.6171.2171.954.30000109.8I290S270-I290 PolarHBondContact N-O 3.43Å; S270-I290 PolarHBondContact O-N 2.92Å; S270-I290 WeakPolarHBondContact OG-CB 3.43Å
271Y96Very high94.2Very high51 Ų5159.2 Ų59.220%0.233%0.33CS..EExtended strand (participates in β ladder)trans-126.5150.2-178-55.9-83.7000110Y262 T263 V286 E288 C289 A326Y262-Y271 WeakPolarHBondContact CA-O 3.49Å; T263-Y271 PolarHBondContact N-O 3Å; T263-Y271 PolarHBondContact OG1-N 3.36Å; T263-Y271 PolarHBondContact OG1-O 3.4Å; Y271-V286 HydrophobicContact CD1-CG1 3.68Å; Y271-V286 HydrophobicContact CD1-CG2 4.5Å; Y271-V286 HydrophobicContact CG-CG1 4.24Å; Y271-E288 WeakPolarHBondContact CA-O 3.44Å; Y271-C289 HydrophobicContact CD1-CB 4.4Å; Y271-A326 HydrophobicContact CE1-CB 3.62Å; Y271-A326 PolarHBondContact OH-N 2.72Å
272R97Very high94.1Very high65 Ų6559.4 Ų59.425%0.24533%0.332CS..EExtended strand (participates in β ladder)trans-99.8125159.8-174170.1144.5-139.5-3.5108.3S260 W261 Y262 I287 E288 I290S260-R272 PolarHBondContact OG-NE 2.6Å; W261-R272 WeakPolarHBondContact O-CA 3.34Å; Y262-R272 HydrophobicContact CD1-CB 4.01Å; Y262-R272 HydrophobicContact CD1-CG 4.29Å; Y262-R272 HydrophobicContact CE1-CB 3.89Å; Y262-R272 HydrophobicContact CE1-CG 4.02Å; R272-I287 HydrophobicContact CB-CG1 4.35Å; R272-I287 HydrophobicContact CG-CD1 4.17Å; R272-I287 HydrophobicContact CG-CG1 4.19Å; R272-I287 VanDerWaalsContact O-CG1 3.31Å; R272-I287 WeakPolarHBondContact O-CG1 3.05Å; R272-I287 PolarHBondContact O-N 2.04Å; R272-E288 HydrophobicContact CB-CB 4.11Å; R272-E288 WeakPolarHBondContact CD-OE2 3.48Å; R272-E288 IonicContact CZ-OE2 2.78Å; R272-E288 PolarHBondContact N-O 3.3Å; R272-E288 IonicContact NE-OE2 3.56Å; R272-E288 IonicContact NH1-OE1 3.91Å; R272-E288 PolarHBondContact NH1-OE1 3.27Å; R272-E288 IonicContact NH1-OE2 3.81Å; R272-E288 PolarHBondContact NH1-OE2 3.11Å; R272-E288 PolarHBondContact O-N 2.79Å; R272-I290 HydrophobicContact CB-CD1 4.31Å
273V96.2Very high94.1Very high11 Ų1158.8 Ų58.87%0.06734%0.337CS..EExtended strand (participates in β ladder)trans-116.1135.8-176.3-176.30000108.4S260 W261 T263 A284 E285 V286S260-V273 CarbonylContact C-O 3.6Å; S260-V273 WeakPolarHBondContact CA-O 3.2Å; S260-V273 WeakPolarHBondContact CB-O 3.07Å; W261-V273 HydrophobicContact CD2-CB 4.17Å; W261-V273 HydrophobicContact CH2-CB 4.2Å; W261-V273 HydrophobicContact CH2-CG1 3.55Å; W261-V273 HydrophobicContact CZ2-CB 3.73Å; W261-V273 HydrophobicContact CZ2-CG1 3.32Å; W261-V273 HydrophobicContact CZ3-CG1 4.25Å; W261-V273 PolarHBondContact N-O 2.83Å; W261-V273 PolarHBondContact O-N 2.75Å; T263-V273 HydrophobicContact CG2-CG2 3.59Å; V273-A284 HydrophobicContact CG1-CB 3.86Å; V273-E285 CarbonylContact C-O 3.56Å; V273-E285 VanDerWaalsContact CA-O 3.28Å; V273-E285 WeakPolarHBondContact CA-O 3.49Å; V273-E285 WeakPolarHBondContact CG1-O 2.99Å; V273-V286 HydrophobicContact CG2-CG2 4.1Å
274V96.8Very high94Very high24 Ų2460.2 Ų60.215%0.14535%0.352CS..EExtended strand (participates in β ladder)trans-105.6143.2174.571.30000110.1E259 A276 E285 I287E259-V274 WeakPolarHBondContact O-CA 3.35Å; E259-V274 WeakPolarHBondContact O-CG2 3.46Å; V274-A276 PolarHBondContact O-N 3.19Å; V274-E285 HydrophobicContact CG1-CB 4.1Å; V274-E285 PolarHBondContact N-O 2.82Å; V274-E285 PolarHBondContact O-N 2.81Å; V274-I287 HydrophobicContact CB-CD1 4.17Å; V274-I287 HydrophobicContact CB-CG2 4.21Å; V274-I287 HydrophobicContact CG1-CG2 3.55Å
275C96.5Very high94.2Very high0 Ų056.6 Ų56.60%034%0.342CS..EExtended strand (participates in β ladder)trans-79103.1167.1-166.30000108.9G243 C244 F255 F257 G258 E259 W261G243-C275 VanDerWaalsContact C-SG 3.52Å; C244-C275 HydrophobicContact CB-CB 3.74Å; C244-C275 WeakPolarHBondContact CB-SG 3.21Å; C244-C275 PolarHBondContact N-SG 3.26Å; C244-C275 WeakPolarHBondContact SG-CA 3.37Å; C244-C275 WeakPolarHBondContact SG-CB 3.49Å; C244-C275 CovalentContact SG-SG 2.05Å; C244-C275 PolarHBondContact SG-SG 3.34Å; F255-C275 HydrophobicContact CB-CB 4.33Å; F257-C275 WeakPolarHBondContact CA-O 3.01Å; G258-C275 PolarHBondContact N-O 2.88Å; E259-C275 PolarHBondContact O-N 2.59Å; W261-C275 HydrophobicContact CZ3-CB 3.95Å
276A96.2Very high94.5Very high20 Ų2054.9 Ų54.917%0.16533%0.33CS..EExtended strand (participates in β ladder)trans-97.7152.5177.800000110.5V274 V282 T283 E285V274-A276 PolarHBondContact O-N 3.19Å; A276-V282 WeakPolarHBondContact O-CA 3.49Å; A276-T283 WeakPolarHBondContact CB-OG1 3.4Å; A276-T283 PolarHBondContact N-O 2.74Å; A276-T283 PolarHBondContact O-N 2.6Å; A276-E285 HydrophobicContact CB-CG 4.08Å
277G95.8Very high95Very high39 Ų3951.7 Ų51.740%0.40231%0.308SS..EExtended strand (participates in β ladder)trans122.6-157.8177.800000114.1F257 T281F257-G277 VanDerWaalsContact CD1-C 3.49Å; G277-T281 CarbonylContact C-O 3.51Å; G277-T281 VanDerWaalsContact CA-O 3.27Å; G277-T281 WeakPolarHBondContact CA-O 3.44Å
278N96.4Very high95.4Very high76 Ų7649.7 Ų49.741%0.40628%0.279SS..  trans-158.9-165-173.861.438.1000110.5F241 F257 E280 T281F241-N278 WeakPolarHBondContact CB-O 3.37Å; F257-N278 VanDerWaalsContact CE2-C 3.41Å; F257-N278 WeakPolarHBondContact CE2-O 3.33Å; F257-N278 WeakPolarHBondContact CZ-O 3.15Å; N278-E280 PolarHBondContact O-N 2.94Å; N278-E280 WeakPolarHBondContact OD1-CA 2.94Å; N278-E280 WeakPolarHBondContact OD1-CB 3.37Å; N278-E280 PolarHBondContact OD1-N 3.48Å; N278-T281 PolarHBondContact N-O 2.73Å; N278-T281 PolarHBondContact OD1-N 2.75Å; N278-T281 VanDerWaalsContact OD1-N 3.15Å
279E95.8Very high95.8Very high62 Ų6247.9 Ų47.929%0.2927%0.266SS..SBendtrans-61.5-15.1-178.7-71.5-164.4172.900115.1K231 R238 V240 F241K231-E279 VanDerWaalsContact NZ-CD 3.28Å; K231-E279 IonicContact NZ-OE1 3.02Å; K231-E279 PolarHBondContact NZ-OE1 2.78Å; K231-E279 IonicContact NZ-OE2 2.79Å; K231-E279 PolarHBondContact NZ-OE2 2.86Å; K231-E279 VanDerWaalsContact NZ-OE2 3.14Å; R238-E279 IonicContact CZ-OE2 2.86Å; R238-E279 IonicContact NH2-OE2 2.72Å; R238-E279 PolarHBondContact NH2-OE2 2.85Å; V240-E279 HydrophobicContact CB-CB 3.81Å; V240-E279 HydrophobicContact CB-CG 4.11Å; V240-E279 WeakPolarHBondContact CB-O 3.29Å; V240-E279 HydrophobicContact CG1-CB 4.03Å; V240-E279 HydrophobicContact CG2-CB 4.36Å; V240-E279 HydrophobicContact CG2-CG 4.09Å; F241-E279 PolarHBondContact N-O 3.15Å; F241-E279 VanDerWaalsContact N-O 3.09Å
280E95.4Very high95.9Very high160 Ų16046.5 Ų46.575%0.74826%0.259SS*.SBendtrans-107.6-34.7-175.6-58.4-178.3173.500113.2F241 N278F241-E280 WeakPolarHBondContact CD2-O 3.1Å; F241-E280 WeakPolarHBondContact CE2-O 3.42Å; N278-E280 PolarHBondContact O-N 2.94Å; N278-E280 WeakPolarHBondContact OD1-CA 2.94Å; N278-E280 WeakPolarHBondContact OD1-CB 3.37Å; N278-E280 PolarHBondContact OD1-N 3.48Å
281T96.1Very high95.9Very high83 Ų8345.9 Ų45.951%0.50926%0.255SS..  trans-134148.2-178.862.60000111.4G277 N278G277-T281 CarbonylContact C-O 3.51Å; G277-T281 VanDerWaalsContact CA-O 3.27Å; G277-T281 WeakPolarHBondContact CA-O 3.44Å; N278-T281 PolarHBondContact N-O 2.73Å; N278-T281 PolarHBondContact OD1-N 2.75Å; N278-T281 VanDerWaalsContact OD1-N 3.15Å
282V95.4Very high95.6Very high19 Ų1948.3 Ų48.312%0.11527%0.271CS..EExtended strand (participates in β ladder)trans-141.8134.4176.760.10000110.5F226 F241 C244 F257 A276F226-V282 HydrophobicContact CD1-CB 4.41Å; F226-V282 HydrophobicContact CD1-CG1 3.37Å; F226-V282 HydrophobicContact CD1-CG2 4.11Å; F226-V282 HydrophobicContact CE1-CG1 3.62Å; F226-V282 HydrophobicContact CE1-CG2 4.47Å; F226-V282 HydrophobicContact CG-CG1 4.05Å; F226-V282 HydrophobicContact CZ-CG1 4.48Å; F241-V282 HydrophobicContact CB-CB 4.27Å; F241-V282 HydrophobicContact CB-CG1 4.36Å; F241-V282 HydrophobicContact CD1-CB 4.12Å; F241-V282 HydrophobicContact CD1-CG1 3.31Å; F241-V282 HydrophobicContact CD2-CG1 4.09Å; F241-V282 HydrophobicContact CE1-CG1 3.38Å; F241-V282 HydrophobicContact CE2-CG1 4.16Å; F241-V282 HydrophobicContact CG-CB 4.06Å; F241-V282 HydrophobicContact CG-CG1 3.67Å; F241-V282 HydrophobicContact CZ-CG1 3.83Å; C244-V282 VanDerWaalsContact SG-CG2 3.55Å; F257-V282 HydrophobicContact CE1-CB 4.06Å; F257-V282 HydrophobicContact CE1-CG2 3.89Å; A276-V282 WeakPolarHBondContact O-CA 3.49Å
283T93.6Very high95.1Very high63 Ų6347.9 Ų47.939%0.38727%0.273SS..EExtended strand (participates in β ladder)trans-138.4148.117651.50000110A276 E285A276-T283 WeakPolarHBondContact CB-OG1 3.4Å; A276-T283 PolarHBondContact N-O 2.74Å; A276-T283 PolarHBondContact O-N 2.6Å; T283-E285 PolarHBondContact OG1-OE1 3Å
284A92.7Very high94.5Very high64 Ų6452.2 Ų52.253%0.52930%0.295SS..EExtended strand (participates in β ladder)trans-103.5109.1170.100000107.8W261 V273W261-A284 HydrophobicContact CH2-CB 3.8Å; W261-A284 HydrophobicContact CZ2-CB 4.03Å; V273-A284 HydrophobicContact CG1-CB 3.86Å
285E94.6Very high93.8Very high96 Ų9657 Ų5745%0.44932%0.316SS..EExtended strand (participates in β ladder)trans-111.7126.1-170-67.9-178.5-167.100111.3V273 V274 A276 T283 I287V273-E285 CarbonylContact C-O 3.56Å; V273-E285 VanDerWaalsContact CA-O 3.28Å; V273-E285 WeakPolarHBondContact CA-O 3.49Å; V273-E285 WeakPolarHBondContact CG1-O 2.99Å; V274-E285 HydrophobicContact CG1-CB 4.1Å; V274-E285 PolarHBondContact N-O 2.82Å; V274-E285 PolarHBondContact O-N 2.81Å; A276-E285 HydrophobicContact CB-CG 4.08Å; T283-E285 PolarHBondContact OG1-OE1 3Å; E285-I287 PolarHBondContact O-N 3.28Å
286V96.3Very high93.3Very high41 Ų4158.4 Ų58.425%0.24833%0.331CS..EExtended strand (participates in β ladder)trans-69.6125.1172.4177.70000108.3Y271 V273 V302 V324Y271-V286 HydrophobicContact CD1-CG1 3.68Å; Y271-V286 HydrophobicContact CD1-CG2 4.5Å; Y271-V286 HydrophobicContact CG-CG1 4.24Å; V273-V286 HydrophobicContact CG2-CG2 4.1Å; V286-V302 HydrophobicContact CG1-CG2 4.08Å; V286-V302 VanDerWaalsContact O-CG2 3.23Å; V286-V302 WeakPolarHBondContact O-CG2 3.44Å; V286-V324 HydrophobicContact CB-CB 3.88Å; V286-V324 HydrophobicContact CB-CG1 4.17Å; V286-V324 HydrophobicContact CB-CG2 3.99Å; V286-V324 HydrophobicContact CG1-CB 3.94Å; V286-V324 HydrophobicContact CG1-CG1 3.66Å; V286-V324 HydrophobicContact CG1-CG2 4.38Å; V286-V324 HydrophobicContact CG2-CB 4.26Å
287I97.2Very high93.1Very high52 Ų5264.2 Ų64.227%0.26735%0.348SS..EExtended strand (participates in β ladder)trans-112.5-26.9179.353.6165.6000113R272 V274 E285 K301 V302R272-I287 HydrophobicContact CB-CG1 4.35Å; R272-I287 HydrophobicContact CG-CD1 4.17Å; R272-I287 HydrophobicContact CG-CG1 4.19Å; R272-I287 VanDerWaalsContact O-CG1 3.31Å; R272-I287 WeakPolarHBondContact O-CG1 3.05Å; R272-I287 PolarHBondContact O-N 2.04Å; V274-I287 HydrophobicContact CB-CD1 4.17Å; V274-I287 HydrophobicContact CB-CG2 4.21Å; V274-I287 HydrophobicContact CG1-CG2 3.55Å; E285-I287 PolarHBondContact O-N 3.28Å; I287-K301 WeakPolarHBondContact O-CA 3.4Å; I287-V302 PolarHBondContact O-N 2.74Å
288E98Very high93Very high34 Ų3466.7 Ų66.716%0.15935%0.348CS..EExtended strand (participates in β ladder)trans-142144.2178.1-60.7171.2164.800110.8Y271 R272 V299 I300 K301Y271-E288 WeakPolarHBondContact CA-O 3.44Å; R272-E288 HydrophobicContact CB-CB 4.11Å; R272-E288 WeakPolarHBondContact CD-OE2 3.48Å; R272-E288 IonicContact CZ-OE2 2.78Å; R272-E288 PolarHBondContact N-O 3.3Å; R272-E288 IonicContact NE-OE2 3.56Å; R272-E288 IonicContact NH1-OE1 3.91Å; R272-E288 PolarHBondContact NH1-OE1 3.27Å; R272-E288 IonicContact NH1-OE2 3.81Å; R272-E288 PolarHBondContact NH1-OE2 3.11Å; R272-E288 PolarHBondContact O-N 2.79Å; E288-V299 HydrophobicContact CB-CG1 3.82Å; E288-V299 HydrophobicContact CG-CG1 4.13Å; E288-V299 WeakPolarHBondContact OE2-CG1 3.2Å; E288-I300 CarbonylContact C-O 3.6Å; E288-I300 WeakPolarHBondContact CA-O 3.39Å; E288-I300 WeakPolarHBondContact CB-O 3.48Å; E288-K301 HydrophobicContact CG-CG 4.36Å
289C97.3Very high92.9Very high0 Ų065.4 Ų65.40%034%0.343CS..EExtended strand (participates in β ladder)trans-101.7142.4166.6-58.70000109.7Y271 V299 I300 F314 C316 A326Y271-C289 HydrophobicContact CD1-CB 4.4Å; C289-V299 WeakPolarHBondContact O-CA 3.22Å; C289-I300 HydrophobicContact CB-CG1 4.46Å; C289-I300 PolarHBondContact N-O 3.25Å; C289-I300 PolarHBondContact O-N 3.35Å; C289-F314 HydrophobicContact CB-CE1 4.41Å; C289-F314 HydrophobicContact CB-CE2 4.36Å; C289-F314 HydrophobicContact CB-CZ 3.66Å; C289-C316 HydrophobicContact CB-CB 3.46Å; C289-C316 VanDerWaalsContact CB-CB 3.46Å; C289-C316 WeakPolarHBondContact CB-SG 3.12Å; C289-C316 PolarHBondContact N-SG 3.23Å; C289-C316 VanDerWaalsContact N-SG 3.37Å; C289-C316 VanDerWaalsContact SG-CA 3.52Å; C289-C316 WeakPolarHBondContact SG-CB 3.11Å; C289-C316 CovalentContact SG-SG 2.02Å; C289-C316 PolarHBondContact SG-SG 3.06Å; C289-A326 HydrophobicContact CB-CB 3.74Å
290I96.5Very high92.9Very high3 Ų362.8 Ų62.82%0.01533%0.331CS..EExtended strand (participates in β ladder)trans-128.3123.2-172.3-55.1164.7000108.8Y262 L269 S270 R272 R297 K298 V299Y262-I290 HydrophobicContact CD1-CD1 3.29Å; Y262-I290 HydrophobicContact CE1-CD1 3.35Å; L269-I290 CarbonylContact C-O 3.56Å; L269-I290 WeakPolarHBondContact CA-O 3.37Å; S270-I290 PolarHBondContact N-O 3.43Å; S270-I290 PolarHBondContact O-N 2.92Å; S270-I290 WeakPolarHBondContact OG-CB 3.43Å; R272-I290 HydrophobicContact CB-CD1 4.31Å; I290-R297 HydrophobicContact CG2-CG 4.13Å; I290-K298 WeakPolarHBondContact CA-O 3.23Å; I290-V299 HydrophobicContact CG1-CG1 4.15Å; I290-V299 HydrophobicContact CG1-CG2 4.13Å; I290-V299 HydrophobicContact CG2-CG2 4.25Å
291A94Very high92.9Very high0 Ų061.1 Ų61.10%032%0.321CS..EExtended strand (participates in β ladder)trans-105.3131172.400000109.8L269 R297 K298 Y308 F314 F328L269-A291 HydrophobicContact CD2-CB 4.22Å; A291-R297 CarbonylContact O-C 3.46Å; A291-R297 VanDerWaalsContact O-CA 3.31Å; A291-R297 WeakPolarHBondContact O-CA 3.47Å; A291-K298 HydrophobicContact CB-CB 4.47Å; A291-K298 PolarHBondContact N-O 3.49Å; A291-K298 PolarHBondContact O-N 2.83Å; A291-Y308 HydrophobicContact CB-CD2 4.31Å; A291-Y308 HydrophobicContact CB-CE2 3.84Å; A291-F314 HydrophobicContact CB-CD1 3.92Å; A291-F314 HydrophobicContact CB-CD2 4.2Å; A291-F314 HydrophobicContact CB-CE1 3.7Å; A291-F314 HydrophobicContact CB-CE2 4.02Å; A291-F314 HydrophobicContact CB-CG 4.18Å; A291-F314 HydrophobicContact CB-CZ 3.76Å; A291-F328 HydrophobicContact CB-CE1 4.24Å; A291-F328 HydrophobicContact CB-CE2 4.27Å; A291-F328 HydrophobicContact CB-CZ 3.48Å; A291-F328 VanDerWaalsContact CB-CZ 3.48Å
292N90.2Very high92.8Very high102 Ų10259.4 Ų59.455%0.54531%0.31SS..EExtended strand (participates in β ladder)trans-130.193.7171.8-163.48000109.6S268S268-N292 VanDerWaalsContact CB-O 3.32Å; S268-N292 WeakPolarHBondContact CB-O 3.32Å; S268-N292 PolarHBondContact O-N 3.32Å
293M86.5Confident92.5Very high57 Ų5760.2 Ų60.228%0.28132%0.323SS..EExtended strand (participates in β ladder)trans-132.4-160.5-178.9-61.3-173.961.300111.1S268 Q295 G296 Y308 F328S268-M293 WeakPolarHBondContact OG-CG 3.48Å; S268-M293 PolarHBondContact OG-SD 2.65Å; M293-Q295 PolarHBondContact O-N 2.99Å; M293-G296 PolarHBondContact O-N 2.87Å; M293-Y308 WeakPolarHBondContact CA-OH 3.5Å; M293-Y308 HydrophobicContact CB-CE1 3.95Å; M293-Y308 WeakPolarHBondContact CB-OH 3.44Å; M293-Y308 PolarHBondContact N-OH 2.63Å; M293-Y308 VanDerWaalsContact N-OH 3.12Å; M293-F328 HydrophobicContact CG-CE2 4.29Å; M293-F328 HydrophobicContact CG-CZ 4.19Å; M293-F328 HydrophobicContact SD-CD2 3.9Å; M293-F328 HydrophobicContact SD-CE1 4.21Å; M293-F328 HydrophobicContact SD-CE2 3.22Å; M293-F328 WeakPolarHBondContact SD-CE2 3.22Å; M293-F328 HydrophobicContact SD-CZ 3.38Å; M293-F328 WeakPolarHBondContact SD-CZ 3.04Å
294D84.1Confident92.3Very high101 Ų10161.2 Ų61.254%0.5432%0.323SS..THydrogen-bonded Turntrans-56.1-31.8-175.857.5-63.3000114.1G296 R312D294-G296 VanDerWaalsContact C-N 3.27Å; D294-G296 PolarHBondContact O-N 3.36Å; D294-R312 IonicContact OD1-CZ 3.85Å; D294-R312 IonicContact OD1-NH2 2.87Å; D294-R312 PolarHBondContact OD1-NH2 2.86Å; D294-R312 IonicContact OD2-NH2 3.18Å; D294-R312 PolarHBondContact OD2-NH2 2.04Å
295Q81.8Confident92Very high124 Ų12458.2 Ų58.258%0.57930%0.298SS*.THydrogen-bonded Turntrans-87.57.7177.3-55.5-61-51.700113.3M293 Y308M293-Q295 PolarHBondContact O-N 2.99Å; Q295-Y308 HydrophobicContact CB-CD1 4.38Å; Q295-Y308 HydrophobicContact CB-CE1 3.79Å; Q295-Y308 HydrophobicContact CG-CD1 4.39Å; Q295-Y308 HydrophobicContact CG-CE1 4.05Å
296G85.8Confident91.6Very high30 Ų3055 Ų5531%0.30929%0.285SS..EExtended strand (participates in β ladder)trans87.6-171.8-178.800000114.4M293 D294 K298 Y308M293-G296 PolarHBondContact O-N 2.87Å; D294-G296 VanDerWaalsContact C-N 3.27Å; D294-G296 PolarHBondContact O-N 3.36Å; G296-K298 PolarHBondContact O-N 2.9Å; G296-Y308 PolarHBondContact O-OH 3.29Å
297R92.1Very high91.1Very high143 Ų14358.9 Ų58.954%0.5430%0.298SS..EExtended strand (participates in β ladder)trans-77.7124.7-175.5-174.7177.9178.3-118.73.1111.4I290 A291 V299I290-R297 HydrophobicContact CG2-CG 4.13Å; A291-R297 CarbonylContact O-C 3.46Å; A291-R297 VanDerWaalsContact O-CA 3.31Å; A291-R297 WeakPolarHBondContact O-CA 3.47Å; R297-V299 HydrophobicContact CG-CG2 4.39Å
298K92.9Very high90.5Very high91 Ų9156.8 Ų56.840%0.39629%0.287SS..EExtended strand (participates in β ladder)trans-120.7139.1169.8-165.675.5172.2-174.80110.2I290 A291 G296 V306 Y308 F314I290-K298 WeakPolarHBondContact CA-O 3.23Å; A291-K298 HydrophobicContact CB-CB 4.47Å; A291-K298 PolarHBondContact N-O 3.49Å; A291-K298 PolarHBondContact O-N 2.83Å; G296-K298 PolarHBondContact O-N 2.9Å; K298-V306 HydrophobicContact CG-CG2 4.09Å; K298-Y308 HydrophobicContact CB-CD2 3.67Å; K298-Y308 HydrophobicContact CB-CE2 3.49Å; K298-Y308 VanDerWaalsContact CB-CE2 3.49Å; K298-Y308 HydrophobicContact CG-CD2 4.11Å; K298-Y308 HydrophobicContact CG-CE2 4.41Å; K298-F314 HydrophobicContact CG-CD1 4.38Å
299V95.3Very high89.7Confident48 Ų4856.4 Ų56.429%0.29129%0.292SS..EExtended strand (participates in β ladder)trans-128132.5179-174.50000107.8E288 C289 I290 R297E288-V299 HydrophobicContact CB-CG1 3.82Å; E288-V299 HydrophobicContact CG-CG1 4.13Å; E288-V299 WeakPolarHBondContact OE2-CG1 3.2Å; C289-V299 WeakPolarHBondContact O-CA 3.22Å; I290-V299 HydrophobicContact CG1-CG1 4.15Å; I290-V299 HydrophobicContact CG1-CG2 4.13Å; I290-V299 HydrophobicContact CG2-CG2 4.25Å; R297-V299 HydrophobicContact CG-CG2 4.39Å
300I94.7Very high88.9Confident7 Ų761 Ų614%0.03632%0.324CS..EExtended strand (participates in β ladder)trans-138.1152.217662.3-178.5000109.9E288 C289 E304 V306 F314 C316E288-I300 CarbonylContact C-O 3.6Å; E288-I300 WeakPolarHBondContact CA-O 3.39Å; E288-I300 WeakPolarHBondContact CB-O 3.48Å; C289-I300 HydrophobicContact CB-CG1 4.46Å; C289-I300 PolarHBondContact N-O 3.25Å; C289-I300 PolarHBondContact O-N 3.35Å; I300-E304 HydrophobicContact CB-CB 4.16Å; I300-E304 WeakPolarHBondContact CD1-O 3.1Å; I300-V306 HydrophobicContact CD1-CG2 4.4Å; I300-V306 HydrophobicContact CG2-CB 4.21Å; I300-V306 HydrophobicContact CG2-CG1 3.67Å; I300-V306 HydrophobicContact CG2-CG2 3.46Å; I300-V306 VanDerWaalsContact CG2-CG2 3.46Å; I300-F314 HydrophobicContact CD1-CD1 3.5Å; I300-F314 VanDerWaalsContact CD1-CD1 3.5Å; I300-F314 HydrophobicContact CD1-CE1 3.69Å; I300-F314 HydrophobicContact CD1-CG 3.98Å; I300-F314 HydrophobicContact CD1-CZ 4.3Å; I300-F314 WeakPolarHBondContact CD1-O 3.05Å; I300-F314 HydrophobicContact CG1-CD1 3.9Å; I300-F314 HydrophobicContact CG1-CE1 3.63Å; I300-F314 HydrophobicContact CG1-CZ 4.31Å; I300-F314 HydrophobicContact CG2-CD1 4.39Å; I300-C316 HydrophobicContact CD1-CB 3.8Å; I300-C316 HydrophobicContact CG1-CB 3.73Å
301K95.6Very high88.2Confident126 Ų12664.1 Ų64.155%0.54834%0.341SS..EExtended strand (participates in β ladder)trans-77.8160.1178.4-65.3177.4179.3175.20111.4I287 E288 G303 E304I287-K301 WeakPolarHBondContact O-CA 3.4Å; E288-K301 HydrophobicContact CG-CG 4.36Å; K301-G303 PolarHBondContact O-N 3.36Å; K301-E304 HydrophobicContact CB-CG 4.19Å; K301-E304 PolarHBondContact N-OE2 3.31Å; K301-E304 WeakPolarHBondContact O-CB 3.49Å; K301-E304 PolarHBondContact O-N 2.98Å; K301-E304 VanDerWaalsContact O-N 3.09Å
302V93.5Very high87.8Confident47 Ų4766.6 Ų66.629%0.28535%0.351SS..THydrogen-bonded Turntrans-59.3130.7169.7-175.40000110.1V286 I287 C316 K318 V324V286-V302 HydrophobicContact CG1-CG2 4.08Å; V286-V302 VanDerWaalsContact O-CG2 3.23Å; V286-V302 WeakPolarHBondContact O-CG2 3.44Å; I287-V302 PolarHBondContact O-N 2.74Å; V302-C316 CarbonylContact C-O 3.6Å; V302-C316 WeakPolarHBondContact CA-O 3.22Å; V302-K318 HydrophobicContact CG1-CB 4.1Å; V302-V324 HydrophobicContact CG1-CG1 4.14Å; V302-V324 HydrophobicContact CG1-CG2 3.92Å; V302-V324 HydrophobicContact CG2-CG1 3.78Å; V302-V324 HydrophobicContact CG2-CG2 4.12Å
303G89.4Confident87.6Confident36 Ų3662 Ų6237%0.37133%0.326SS..THydrogen-bonded Turntrans96.6-7.9-174.100000114.4K301 C316K301-G303 PolarHBondContact O-N 3.36Å; G303-C316 PolarHBondContact N-O 3.04Å
304E89.4Confident87.8Confident84 Ų8459.3 Ų59.339%0.39331%0.312SS..  trans-99.4153.6-178.2-64.1179.6167.300112.7I300 K301 C316I300-E304 HydrophobicContact CB-CB 4.16Å; I300-E304 WeakPolarHBondContact CD1-O 3.1Å; K301-E304 HydrophobicContact CB-CG 4.19Å; K301-E304 PolarHBondContact N-OE2 3.31Å; K301-E304 WeakPolarHBondContact O-CB 3.49Å; K301-E304 PolarHBondContact O-N 2.98Å; K301-E304 VanDerWaalsContact O-N 3.09Å; E304-C316 PolarHBondContact O-N 3.22Å
305C86.6Confident88Confident1 Ų154.7 Ų54.71%0.00729%0.288CS..EExtended strand (participates in β ladder)trans-137.9137.7170.8-48.80000109.5M313 F314 S315 C349C305-M313 HydrophobicContact CB-CE 4.35Å; C305-F314 CarbonylContact C-O 3.59Å; C305-F314 WeakPolarHBondContact CA-O 3.43Å; C305-S315 WeakPolarHBondContact SG-CB 3.4Å; C305-C349 HydrophobicContact CB-CB 3.65Å; C305-C349 WeakPolarHBondContact CB-SG 3.3Å; C305-C349 WeakPolarHBondContact SG-CB 3.47Å; C305-C349 CovalentContact SG-SG 2.03Å; C305-C349 PolarHBondContact SG-SG 3.46Å
306V87.1Confident88.6Confident29 Ų2948.8 Ų48.818%0.17626%0.26CS..EExtended strand (participates in β ladder)trans-138.8151.8-178.1-61.50000111.1K298 I300 M313 F314K298-V306 HydrophobicContact CG-CG2 4.09Å; I300-V306 HydrophobicContact CD1-CG2 4.4Å; I300-V306 HydrophobicContact CG2-CB 4.21Å; I300-V306 HydrophobicContact CG2-CG1 3.67Å; I300-V306 HydrophobicContact CG2-CG2 3.46Å; I300-V306 VanDerWaalsContact CG2-CG2 3.46Å; V306-M313 VanDerWaalsContact C-CE 3.42Å; V306-M313 WeakPolarHBondContact O-CA 3.46Å; V306-F314 HydrophobicContact CG2-CB 4.26Å; V306-F314 HydrophobicContact CG2-CD1 4.38Å; V306-F314 PolarHBondContact N-O 2.83Å; V306-F314 PolarHBondContact O-N 3.01Å
307K85.2Confident88.8Confident121 Ų12148.7 Ų48.753%0.52625%0.253SS..EExtended strand (participates in β ladder)trans-64.9135.4170.2-170.5170.9-172176.70110G309 S310 M313 I331K307-G309 WeakPolarHBondContact CE-O 3.35Å; K307-G309 VanDerWaalsContact CG-O 3.24Å; K307-G309 WeakPolarHBondContact CG-O 3.32Å; K307-S310 WeakPolarHBondContact CE-O 3.38Å; K307-S310 PolarHBondContact NZ-O 2.68Å; K307-M313 VanDerWaalsContact CA-SD 3.54Å; K307-M313 HydrophobicContact CB-SD 3.95Å; K307-M313 HydrophobicContact CG-SD 4.41Å; K307-I331 HydrophobicContact CD-CD1 4.13Å; K307-I331 HydrophobicContact CG-CD1 3.95Å
308Y84.4Confident88.7Confident8 Ų848.4 Ų48.43%0.03126%0.255CS..EExtended strand (participates in β ladder)trans-130.7101.4178-167.8-80.2000108.9A291 M293 Q295 G296 K298 R312 F314 F328A291-Y308 HydrophobicContact CB-CD2 4.31Å; A291-Y308 HydrophobicContact CB-CE2 3.84Å; M293-Y308 WeakPolarHBondContact CA-OH 3.5Å; M293-Y308 HydrophobicContact CB-CE1 3.95Å; M293-Y308 WeakPolarHBondContact CB-OH 3.44Å; M293-Y308 PolarHBondContact N-OH 2.63Å; M293-Y308 VanDerWaalsContact N-OH 3.12Å; Q295-Y308 HydrophobicContact CB-CD1 4.38Å; Q295-Y308 HydrophobicContact CB-CE1 3.79Å; Q295-Y308 HydrophobicContact CG-CD1 4.39Å; Q295-Y308 HydrophobicContact CG-CE1 4.05Å; G296-Y308 PolarHBondContact O-OH 3.29Å; K298-Y308 HydrophobicContact CB-CD2 3.67Å; K298-Y308 HydrophobicContact CB-CE2 3.49Å; K298-Y308 VanDerWaalsContact CB-CE2 3.49Å; K298-Y308 HydrophobicContact CG-CD2 4.11Å; K298-Y308 HydrophobicContact CG-CE2 4.41Å; Y308-R312 CarbonylContact C-O 3.36Å; Y308-R312 PolarHBondContact N-O 2.85Å; Y308-R312 WeakPolarHBondContact O-CB 3.43Å; Y308-R312 VanDerWaalsContact O-O 3.13Å; Y308-F314 HydrophobicContact CD2-CB 4.38Å; Y308-F314 HydrophobicContact CG-CB 4.43Å; Y308-F328 HydrophobicContact CD1-CD1 4.48Å; Y308-F328 AromaticContact CD1-CE1 3.64Å; Y308-F328 HydrophobicContact CD1-CE1 3.64Å; Y308-F328 HydrophobicContact CD1-CZ 4.3Å; Y308-F328 HydrophobicContact CD2-CE1 4.07Å; Y308-F328 HydrophobicContact CE1-CE1 4.12Å; Y308-F328 HydrophobicContact CE1-CZ 4.33Å; Y308-F328 AromaticContact CG-CE1 3.63Å; Y308-F328 HydrophobicContact CG-CE1 3.63Å; Y308-F328 HydrophobicContact CG-CZ 4.44Å
309G81.9Confident88.4Confident26 Ų2646.9 Ų46.927%0.26825%0.25SC..THydrogen-bonded Turntrans76.7-166.6-168.200000112.5K307K307-G309 WeakPolarHBondContact CE-O 3.35Å; K307-G309 VanDerWaalsContact CG-O 3.24Å; K307-G309 WeakPolarHBondContact CG-O 3.32Å
310S80.7Confident87.7Confident96 Ų9651.9 Ų51.967%0.67128%0.281SS*.THydrogen-bonded Turntrans-81.4-25.1179.546.30000113.2K307K307-S310 WeakPolarHBondContact CE-O 3.38Å; K307-S310 PolarHBondContact NZ-O 2.68Å
311D81.6Confident87.2Confident70 Ų7059 Ų5937%0.37431%0.314SS..THydrogen-bonded Turntrans-119.3-4.8-160.163.5-39.9000114.3L330 I331D311-L330 CarbonylContact O-C 3.58Å; D311-L330 WeakPolarHBondContact O-CA 2.99Å; D311-I331 PolarHBondContact O-N 3.13Å
312R85.3Confident86.6Confident52 Ų5254.6 Ų54.620%0.19630%0.303CS..EExtended strand (participates in β ladder)trans-136.1151.5-173-40.6179.3-112.7-178.213.3112.7D294 Y308 F328 T329 L330D294-R312 IonicContact OD1-CZ 3.85Å; D294-R312 IonicContact OD1-NH2 2.87Å; D294-R312 PolarHBondContact OD1-NH2 2.86Å; D294-R312 IonicContact OD2-NH2 3.18Å; D294-R312 PolarHBondContact OD2-NH2 2.04Å; Y308-R312 CarbonylContact C-O 3.36Å; Y308-R312 PolarHBondContact N-O 2.85Å; Y308-R312 WeakPolarHBondContact O-CB 3.43Å; Y308-R312 VanDerWaalsContact O-O 3.13Å; R312-F328 HydrophobicContact CB-CD1 4.48Å; R312-T329 CarbonylContact C-O 3.49Å; R312-T329 VanDerWaalsContact CA-O 3.27Å; R312-T329 WeakPolarHBondContact CA-O 3.33Å; R312-L330 HydrophobicContact CG-CD2 4.15Å
313M85.3Confident86.4Confident5 Ų556.7 Ų56.73%0.02531%0.313CS..EExtended strand (participates in β ladder)trans-107.9135.6166.8-68-61.5-66.800109.1C305 V306 K307 F328 T329 I331 L351C305-M313 HydrophobicContact CB-CE 4.35Å; V306-M313 VanDerWaalsContact C-CE 3.42Å; V306-M313 WeakPolarHBondContact O-CA 3.46Å; K307-M313 VanDerWaalsContact CA-SD 3.54Å; K307-M313 HydrophobicContact CB-SD 3.95Å; K307-M313 HydrophobicContact CG-SD 4.41Å; M313-F328 CarbonylContact O-C 3.53Å; M313-F328 VanDerWaalsContact O-CA 3.25Å; M313-F328 WeakPolarHBondContact O-CA 3.33Å; M313-T329 PolarHBondContact N-O 3.42Å; M313-T329 PolarHBondContact O-N 2.93Å; M313-I331 HydrophobicContact CG-CD1 4.03Å; M313-I331 HydrophobicContact CG-CG1 3.65Å; M313-I331 HydrophobicContact SD-CD1 3.92Å; M313-I331 HydrophobicContact SD-CG1 4.2Å; M313-L351 HydrophobicContact CE-CD2 3.88Å
314F90.2Very high86.5Confident0 Ų056.1 Ų56.10%030%0.303CS..EExtended strand (participates in β ladder)trans-101.5123.9168.7179-137.4000109.1L269 C289 A291 K298 I300 C305 V306 Y308 A326 R327 F328L269-F314 HydrophobicContact CD2-CD2 4.4Å; L269-F314 HydrophobicContact CD2-CE2 3.65Å; L269-F314 HydrophobicContact CD2-CZ 4.25Å; C289-F314 HydrophobicContact CB-CE1 4.41Å; C289-F314 HydrophobicContact CB-CE2 4.36Å; C289-F314 HydrophobicContact CB-CZ 3.66Å; A291-F314 HydrophobicContact CB-CD1 3.92Å; A291-F314 HydrophobicContact CB-CD2 4.2Å; A291-F314 HydrophobicContact CB-CE1 3.7Å; A291-F314 HydrophobicContact CB-CE2 4.02Å; A291-F314 HydrophobicContact CB-CG 4.18Å; A291-F314 HydrophobicContact CB-CZ 3.76Å; K298-F314 HydrophobicContact CG-CD1 4.38Å; I300-F314 HydrophobicContact CD1-CD1 3.5Å; I300-F314 VanDerWaalsContact CD1-CD1 3.5Å; I300-F314 HydrophobicContact CD1-CE1 3.69Å; I300-F314 HydrophobicContact CD1-CG 3.98Å; I300-F314 HydrophobicContact CD1-CZ 4.3Å; I300-F314 WeakPolarHBondContact CD1-O 3.05Å; I300-F314 HydrophobicContact CG1-CD1 3.9Å; I300-F314 HydrophobicContact CG1-CE1 3.63Å; I300-F314 HydrophobicContact CG1-CZ 4.31Å; I300-F314 HydrophobicContact CG2-CD1 4.39Å; C305-F314 CarbonylContact C-O 3.59Å; C305-F314 WeakPolarHBondContact CA-O 3.43Å; V306-F314 HydrophobicContact CG2-CB 4.26Å; V306-F314 HydrophobicContact CG2-CD1 4.38Å; V306-F314 PolarHBondContact N-O 2.83Å; V306-F314 PolarHBondContact O-N 3.01Å; Y308-F314 HydrophobicContact CD2-CB 4.38Å; Y308-F314 HydrophobicContact CG-CB 4.43Å; F314-A326 HydrophobicContact CE2-CB 4.02Å; F314-A326 HydrophobicContact CZ-CB 4.46Å; F314-R327 WeakPolarHBondContact CA-O 3.25Å; F314-R327 WeakPolarHBondContact CD2-O 3.02Å; F314-F328 HydrophobicContact CB-CD1 4.08Å; F314-F328 HydrophobicContact CB-CE1 3.8Å; F314-F328 HydrophobicContact CD2-CD1 4.28Å; F314-F328 AromaticContact CD2-CE1 3.96Å; F314-F328 HydrophobicContact CD2-CE1 3.96Å; F314-F328 HydrophobicContact CD2-CZ 4.12Å; F314-F328 HydrophobicContact CG-CE1 4.07Å; F314-F328 HydrophobicContact CG-CZ 4.48Å
315S90.4Very high86.6Confident4 Ų453.8 Ų53.83%0.02829%0.294CS..EExtended strand (participates in β ladder)trans-123.5150.3-179.762.70000112C305 A326 R327C305-S315 WeakPolarHBondContact SG-CB 3.4Å; S315-A326 CarbonylContact O-C 3.46Å; S315-A326 VanDerWaalsContact O-CA 3.32Å; S315-A326 WeakPolarHBondContact O-CA 3.11Å; S315-R327 PolarHBondContact N-O 2.78Å; S315-R327 PolarHBondContact O-N 3.3Å
316C93.9Very high86.8Confident0 Ų054 Ų540%030%0.296CS..EExtended strand (participates in β ladder)trans-13389.2177.7-173.20000109.4C289 I300 V302 G303 E304C289-C316 HydrophobicContact CB-CB 3.46Å; C289-C316 VanDerWaalsContact CB-CB 3.46Å; C289-C316 WeakPolarHBondContact CB-SG 3.12Å; C289-C316 PolarHBondContact N-SG 3.23Å; C289-C316 VanDerWaalsContact N-SG 3.37Å; C289-C316 VanDerWaalsContact SG-CA 3.52Å; C289-C316 WeakPolarHBondContact SG-CB 3.11Å; C289-C316 CovalentContact SG-SG 2.02Å; C289-C316 PolarHBondContact SG-SG 3.06Å; I300-C316 HydrophobicContact CD1-CB 3.8Å; I300-C316 HydrophobicContact CG1-CB 3.73Å; V302-C316 CarbonylContact C-O 3.6Å; V302-C316 WeakPolarHBondContact CA-O 3.22Å; G303-C316 PolarHBondContact N-O 3.04Å; E304-C316 PolarHBondContact O-N 3.22Å
317I90.2Very high86.9Confident28 Ų2855.6 Ų55.614%0.14430%0.299CS..EExtended strand (participates in β ladder)trans-119.6137.6-167-58.5-61.5000111.2V324 V325I317-V324 WeakPolarHBondContact O-CA 3.47Å; I317-V325 PolarHBondContact N-O 2.86Å; I317-V325 PolarHBondContact O-N 3.02Å
318K89.3Confident87Confident138 Ų13852.6 Ų52.660%0.629%0.286SS*.EExtended strand (participates in β ladder)trans-82118.3170.7-170.1174-177.2174.50109.2V302 G322 N323 V324V302-K318 HydrophobicContact CG1-CB 4.1Å; K318-G322 VanDerWaalsContact CE-O 3.28Å; K318-G322 WeakPolarHBondContact CE-O 3.49Å; K318-N323 CarbonylContact C-O 3.57Å; K318-N323 WeakPolarHBondContact CA-O 3.45Å; K318-V324 HydrophobicContact CB-CG2 4.16Å; K318-V324 HydrophobicContact CG-CG2 4.22Å
319Q87.2Confident86.9Confident59 Ų5952.9 Ų52.928%0.27629%0.288SS..  trans-74.6167.5177.3-66.6-176.4-29.100111.5E321 G322 N323 V325Q319-E321 PolarHBondContact O-N 2.84Å; Q319-G322 WeakPolarHBondContact O-CA 3.48Å; Q319-G322 PolarHBondContact O-N 2.85Å; Q319-N323 PolarHBondContact N-O 3.06Å; Q319-V325 VanDerWaalsContact CD-CG2 3.45Å; Q319-V325 HydrophobicContact CG-CG2 3.97Å
320T80.8Confident86.9Confident153 Ų15356.6 Ų56.694%0.93930%0.302SS*.THydrogen-bonded Turntrans-58.3-32.2178.348.80000113G322T320-G322 PolarHBondContact O-N 3.2Å
321E83.1Confident86.5Confident157 Ų15753.3 Ų53.373%0.73428%0.276SS*.THydrogen-bonded Turntrans-72.3-9.8174.7-61.3179.8179.400113.5Q319Q319-E321 PolarHBondContact O-N 2.84Å
322G82.7Confident85.7Confident32 Ų3255.9 Ų55.933%0.3329%0.286SS..SBendtrans94.5-10.4-179.800000114.9K318 Q319 T320K318-G322 VanDerWaalsContact CE-O 3.28Å; K318-G322 WeakPolarHBondContact CE-O 3.49Å; Q319-G322 WeakPolarHBondContact O-CA 3.48Å; Q319-G322 PolarHBondContact O-N 2.85Å; T320-G322 PolarHBondContact O-N 3.2Å
323N88.8Confident84.3Confident91 Ų9161.8 Ų61.849%0.48732%0.316SS..  trans-68.2140.8174.8-64.5-44.7000111.1K318 Q319K318-N323 CarbonylContact C-O 3.57Å; K318-N323 WeakPolarHBondContact CA-O 3.45Å; Q319-N323 PolarHBondContact N-O 3.06Å
324V92.9Very high82.5Confident25 Ų2570.2 Ų70.215%0.15236%0.355CS..EExtended strand (participates in β ladder)trans-97.3129.1173.1176.90000109.1V286 V302 I317 K318V286-V324 HydrophobicContact CB-CB 3.88Å; V286-V324 HydrophobicContact CB-CG1 4.17Å; V286-V324 HydrophobicContact CB-CG2 3.99Å; V286-V324 HydrophobicContact CG1-CB 3.94Å; V286-V324 HydrophobicContact CG1-CG1 3.66Å; V286-V324 HydrophobicContact CG1-CG2 4.38Å; V286-V324 HydrophobicContact CG2-CB 4.26Å; V302-V324 HydrophobicContact CG1-CG1 4.14Å; V302-V324 HydrophobicContact CG1-CG2 3.92Å; V302-V324 HydrophobicContact CG2-CG1 3.78Å; V302-V324 HydrophobicContact CG2-CG2 4.12Å; I317-V324 WeakPolarHBondContact O-CA 3.47Å; K318-V324 HydrophobicContact CB-CG2 4.16Å; K318-V324 HydrophobicContact CG-CG2 4.22Å
325V90.5Very high80.6Confident35 Ų3573 Ų7321%0.21237%0.374CS..EExtended strand (participates in β ladder)trans-123.1125-177.8-169.20000110.2I317 Q319 R327I317-V325 PolarHBondContact N-O 2.86Å; I317-V325 PolarHBondContact O-N 3.02Å; Q319-V325 VanDerWaalsContact CD-CG2 3.45Å; Q319-V325 HydrophobicContact CG-CG2 3.97Å; V325-R327 HydrophobicContact CG1-CG 3.76Å
326A92.1Very high78.5Confident6 Ų677.5 Ų77.55%0.0539%0.393CS..EExtended strand (participates in β ladder)trans-86.4130.2168.900000109.6L269 Y271 C289 F314 S315L269-A326 HydrophobicContact CD1-CB 4.06Å; L269-A326 WeakPolarHBondContact CD1-O 3.01Å; L269-A326 HydrophobicContact CD2-CB 4.22Å; Y271-A326 HydrophobicContact CE1-CB 3.62Å; Y271-A326 PolarHBondContact OH-N 2.72Å; C289-A326 HydrophobicContact CB-CB 3.74Å; F314-A326 HydrophobicContact CE2-CB 4.02Å; F314-A326 HydrophobicContact CZ-CB 4.46Å; S315-A326 CarbonylContact O-C 3.46Å; S315-A326 VanDerWaalsContact O-CA 3.32Å; S315-A326 WeakPolarHBondContact O-CA 3.11Å
327R88.5Confident76.4Confident62 Ų6280.8 Ų80.823%0.23442%0.417CS..EExtended strand (participates in β ladder)trans-142.2151.9-179.3-65.4-177.2169.8172.9-24.2113F314 S315 V325 E345 D347F314-R327 WeakPolarHBondContact CA-O 3.25Å; F314-R327 WeakPolarHBondContact CD2-O 3.02Å; S315-R327 PolarHBondContact N-O 2.78Å; S315-R327 PolarHBondContact O-N 3.3Å; V325-R327 HydrophobicContact CG1-CG 3.76Å; R327-E345 IonicContact CZ-OE1 3.32Å; R327-E345 IonicContact CZ-OE2 3.07Å; R327-E345 IonicContact NH1-OE1 2.74Å; R327-E345 IonicContact NH1-OE2 3.64Å; R327-E345 PolarHBondContact NH1-OE2 3.11Å; R327-E345 IonicContact NH2-OE1 3.27Å; R327-E345 IonicContact NH2-OE2 3.64Å; R327-E345 PolarHBondContact NH2-OE2 2.68Å; R327-D347 IonicContact NH1-OD2 3.04Å; R327-D347 PolarHBondContact NH1-OD2 3.09Å
328F87.1Confident74.5Confident58 Ų5888.7 Ų88.725%0.25445%0.45SS..EExtended strand (participates in β ladder)trans-104.3132.2163.1-70.9-75000109.9L269 A291 M293 Y308 R312 M313 F314L269-F328 HydrophobicContact CD2-CD2 4.2Å; L269-F328 HydrophobicContact CD2-CE2 3.52Å; L269-F328 HydrophobicContact CD2-CZ 4.21Å; L269-F328 HydrophobicContact CG-CE2 4.22Å; A291-F328 HydrophobicContact CB-CE1 4.24Å; A291-F328 HydrophobicContact CB-CE2 4.27Å; A291-F328 HydrophobicContact CB-CZ 3.48Å; A291-F328 VanDerWaalsContact CB-CZ 3.48Å; M293-F328 HydrophobicContact CG-CE2 4.29Å; M293-F328 HydrophobicContact CG-CZ 4.19Å; M293-F328 HydrophobicContact SD-CD2 3.9Å; M293-F328 HydrophobicContact SD-CE1 4.21Å; M293-F328 HydrophobicContact SD-CE2 3.22Å; M293-F328 WeakPolarHBondContact SD-CE2 3.22Å; M293-F328 HydrophobicContact SD-CZ 3.38Å; M293-F328 WeakPolarHBondContact SD-CZ 3.04Å; Y308-F328 HydrophobicContact CD1-CD1 4.48Å; Y308-F328 AromaticContact CD1-CE1 3.64Å; Y308-F328 HydrophobicContact CD1-CE1 3.64Å; Y308-F328 HydrophobicContact CD1-CZ 4.3Å; Y308-F328 HydrophobicContact CD2-CE1 4.07Å; Y308-F328 HydrophobicContact CE1-CE1 4.12Å; Y308-F328 HydrophobicContact CE1-CZ 4.33Å; Y308-F328 AromaticContact CG-CE1 3.63Å; Y308-F328 HydrophobicContact CG-CE1 3.63Å; Y308-F328 HydrophobicContact CG-CZ 4.44Å; R312-F328 HydrophobicContact CB-CD1 4.48Å; M313-F328 CarbonylContact O-C 3.53Å; M313-F328 VanDerWaalsContact O-CA 3.25Å; M313-F328 WeakPolarHBondContact O-CA 3.33Å; F314-F328 HydrophobicContact CB-CD1 4.08Å; F314-F328 HydrophobicContact CB-CE1 3.8Å; F314-F328 HydrophobicContact CD2-CD1 4.28Å; F314-F328 AromaticContact CD2-CE1 3.96Å; F314-F328 HydrophobicContact CD2-CE1 3.96Å; F314-F328 HydrophobicContact CD2-CZ 4.12Å; F314-F328 HydrophobicContact CG-CE1 4.07Å; F314-F328 HydrophobicContact CG-CZ 4.48Å
329T83.4Confident72.7Confident13 Ų1390.3 Ų90.38%0.0846%0.457CS..EExtended strand (participates in β ladder)trans-123136.2173.9-47.20000108.8R312 M313 F341 I344R312-T329 CarbonylContact C-O 3.49Å; R312-T329 VanDerWaalsContact CA-O 3.27Å; R312-T329 WeakPolarHBondContact CA-O 3.33Å; M313-T329 PolarHBondContact N-O 3.42Å; M313-T329 PolarHBondContact O-N 2.93Å; T329-F341 HydrophobicContact CG2-CE1 4Å; T329-F341 HydrophobicContact CG2-CZ 3.85Å; T329-I344 HydrophobicContact CG2-CD1 4.08Å; T329-I344 HydrophobicContact CG2-CG1 4Å
330L81.6Confident71Confident105 Ų10589.9 Ų89.955%0.5546%0.459SS..EExtended strand (participates in β ladder)trans-66.4139.1173.6-69.9169.4000109.9D311 R312 E332D311-L330 CarbonylContact O-C 3.58Å; D311-L330 WeakPolarHBondContact O-CA 2.99Å; R312-L330 HydrophobicContact CG-CD2 4.15Å; L330-E332 PolarHBondContact O-N 3.45Å
331I71.3Confident69.9Low27 Ų2783 Ų8314%0.13842%0.416CS..  trans-81.193.5171.1-62.7169.6000106.5K307 D311 M313 E333 F336K307-I331 HydrophobicContact CD-CD1 4.13Å; K307-I331 HydrophobicContact CG-CD1 3.95Å; D311-I331 PolarHBondContact O-N 3.13Å; M313-I331 HydrophobicContact CG-CD1 4.03Å; M313-I331 HydrophobicContact CG-CG1 3.65Å; M313-I331 HydrophobicContact SD-CD1 3.92Å; M313-I331 HydrophobicContact SD-CG1 4.2Å; I331-E333 PolarHBondContact O-N 3.46Å; I331-F336 HydrophobicContact CG2-CE2 3.52Å; I331-F336 HydrophobicContact CG2-CZ 4.03Å
332E65.7Low68.6Low123 Ų12378.4 Ų78.458%0.57540%0.399SS*.  trans-70.3122.4158.6-65.9178.8-175.400106.6L330 H334L330-E332 PolarHBondContact O-N 3.45Å; E332-H334 PolarHBondContact O-N 3.09Å
333E54.6Low67.3Low176 Ų17677.4 Ų77.482%0.82239%0.386SS*.THydrogen-bonded Turntrans-56.7-8.4-173.8-71.3-175.8151.300114.1I331I331-E333 PolarHBondContact O-N 3.46Å
334H48.3Very low65.3Low182 Ų18279.1 Ų79.184%0.84339%0.394SS*.THydrogen-bonded Turntrans-93.7-3.7-167.8-75.8-33.6000117.7E332E332-H334 PolarHBondContact O-N 3.09Å
335S50.4Low63.3Low59 Ų5984.3 Ų84.341%0.41342%0.416SS..  trans-123.927.1-170.1-35.80000115.8S337S335-S337 PolarHBondContact O-N 2.82Å
336F46.8Very low61.7Low98 Ų9884.9 Ų84.943%0.4343%0.429SS..  trans-8082.3172.2-81.1-81.5000111.6I331 L351I331-F336 HydrophobicContact CG2-CE2 3.52Å; I331-F336 HydrophobicContact CG2-CZ 4.03Å; F336-L351 HydrophobicContact CD1-CD1 3.84Å; F336-L351 HydrophobicContact CE1-CD1 4.03Å; F336-L351 HydrophobicContact CE1-CD2 4.44Å
337S48.8Very low60.1Low70 Ų7087.1 Ų87.149%0.4944%0.44SS..BIsolated β-bridgetrans-69.2124.9152.9162.60000107.6S335 K339 T340S335-S337 PolarHBondContact O-N 2.82Å; S337-K339 PolarHBondContact O-N 2.87Å; S337-T340 PolarHBondContact O-N 3.33Å; S337-T340 VanDerWaalsContact O-N 3.16Å
338F50.6Low58.9Low193 Ų19393.4 Ų93.485%0.84646%0.464SS*.THydrogen-bonded Turntrans-54.1-5.2-172.2-77.9-83.4000116.4
339K50.7Low57.7Low173 Ų17390.7 Ų90.775%0.75245%0.453SS*.THydrogen-bonded Turntrans-119.9-25.2-179.3-66.7-174.4176.4-178.60114.5S337 L351S337-K339 PolarHBondContact O-N 2.87Å; K339-L351 PolarHBondContact O-N 2.96Å
340T52.4Low56.7Low49 Ų4993.3 Ų93.330%0.30147%0.47SS..EExtended strand (participates in β ladder)trans-152.1133.8-174.853.90000110.5S337 C349S337-T340 PolarHBondContact O-N 3.33Å; S337-T340 VanDerWaalsContact O-N 3.16Å; T340-C349 CarbonylContact C-O 3.55Å; T340-C349 VanDerWaalsContact CA-O 3.28Å; T340-C349 WeakPolarHBondContact CA-O 3.5Å
341F58.5Low55.5Low8 Ų890.4 Ų90.44%0.03545%0.454CS..EExtended strand (participates in β ladder)trans-92.3140.7163.3173.1-103.5000108.6T329 T343 R348 C349 L351T329-F341 HydrophobicContact CG2-CE1 4Å; T329-F341 HydrophobicContact CG2-CZ 3.85Å; F341-T343 HydrophobicContact CD1-CG2 4.35Å; F341-T343 HydrophobicContact CE1-CG2 3.99Å; F341-R348 CarbonylContact O-C 3.51Å; F341-C349 HydrophobicContact CB-CB 4.18Å; F341-C349 HydrophobicContact CD1-CB 4.2Å; F341-C349 PolarHBondContact N-O 3.07Å; F341-C349 WeakPolarHBondContact O-CA 3.45Å; F341-C349 WeakPolarHBondContact O-CB 3.21Å; F341-C349 PolarHBondContact O-N 2.76Å; F341-L351 HydrophobicContact CB-CD2 4.49Å
342T54.1Low54.5Low62 Ų6293.1 Ų93.138%0.3847%0.474SS..EExtended strand (participates in β ladder)trans-106.8124.9169.6-47.70000107.1G346 D347T342-G346 VanDerWaalsContact CG2-CA 3.45Å; T342-G346 VanDerWaalsContact CG2-O 3.3Å; T342-G346 WeakPolarHBondContact CG2-O 3.2Å; T342-D347 CarbonylContact C-O 3.56Å; T342-D347 WeakPolarHBondContact CA-O 3.43Å
343T55.5Low53.7Low10 Ų1093.4 Ų93.46%0.06149%0.486CS..  trans-63.1164.5173.467.70000110.2F341 E345 G346 D347F341-T343 HydrophobicContact CD1-CG2 4.35Å; F341-T343 HydrophobicContact CE1-CG2 3.99Å; T343-E345 PolarHBondContact O-N 2.76Å; T343-G346 PolarHBondContact O-N 3Å; T343-D347 HydrophobicContact CG2-CB 4.21Å; T343-D347 PolarHBondContact N-O 2.98Å; T343-D347 WeakPolarHBondContact OG1-CB 3.29Å; T343-D347 PolarHBondContact OG1-N 2.81Å
344I48.5Very low53.1Low127 Ų12797.8 Ų97.865%0.65150%0.503SS*.THydrogen-bonded Turntrans-55-26.1177.7-63.1167.4000111.8T329T329-I344 HydrophobicContact CG2-CD1 4.08Å; T329-I344 HydrophobicContact CG2-CG1 4Å
345E50.7Low53.4Low134 Ų13493.6 Ų93.663%0.62649%0.486SS*.THydrogen-bonded Turntrans-90.22.1178.7-65.2176.6-157.300114R327 T343R327-E345 IonicContact CZ-OE1 3.32Å; R327-E345 IonicContact CZ-OE2 3.07Å; R327-E345 IonicContact NH1-OE1 2.74Å; R327-E345 IonicContact NH1-OE2 3.64Å; R327-E345 PolarHBondContact NH1-OE2 3.11Å; R327-E345 IonicContact NH2-OE1 3.27Å; R327-E345 IonicContact NH2-OE2 3.64Å; R327-E345 PolarHBondContact NH2-OE2 2.68Å; T343-E345 PolarHBondContact O-N 2.76Å
346G55.6Low53.5Low47 Ų4795.4 Ų95.449%0.48549%0.49SS..SBendtrans94.9-1.317700000115.4T342 T343 R348T342-G346 VanDerWaalsContact CG2-CA 3.45Å; T342-G346 VanDerWaalsContact CG2-O 3.3Å; T342-G346 WeakPolarHBondContact CG2-O 3.2Å; T343-G346 PolarHBondContact O-N 3Å; G346-R348 PolarHBondContact O-N 3.46Å
347D58.9Low53.9Low53 Ų5395.3 Ų95.328%0.28349%0.493SS..  trans-71.5123.1179.2-65-38.4000110.9R327 T342 T343 C349R327-D347 IonicContact NH1-OD2 3.04Å; R327-D347 PolarHBondContact NH1-OD2 3.09Å; T342-D347 CarbonylContact C-O 3.56Å; T342-D347 WeakPolarHBondContact CA-O 3.43Å; T343-D347 HydrophobicContact CG2-CB 4.21Å; T343-D347 PolarHBondContact N-O 2.98Å; T343-D347 WeakPolarHBondContact OG1-CB 3.29Å; T343-D347 PolarHBondContact OG1-N 2.81Å; D347-C349 PolarHBondContact O-N 3Å
348R62.5Low54.2Low195 Ų19596.8 Ų96.874%0.73649%0.493SS*.EExtended strand (participates in β ladder)trans-78.2112175.9-67.9-175.9-179.2-179.40.5110.6F341 G346F341-R348 CarbonylContact O-C 3.51Å; G346-R348 PolarHBondContact O-N 3.46Å
349C62.7Low54.4Low1 Ų190.8 Ų90.81%0.00747%0.471CS..EExtended strand (participates in β ladder)trans-90.4115.8168.1-93.90000110.2C305 T340 F341 D347 L351C305-C349 HydrophobicContact CB-CB 3.65Å; C305-C349 WeakPolarHBondContact CB-SG 3.3Å; C305-C349 WeakPolarHBondContact SG-CB 3.47Å; C305-C349 CovalentContact SG-SG 2.03Å; C305-C349 PolarHBondContact SG-SG 3.46Å; T340-C349 CarbonylContact C-O 3.55Å; T340-C349 VanDerWaalsContact CA-O 3.28Å; T340-C349 WeakPolarHBondContact CA-O 3.5Å; F341-C349 HydrophobicContact CB-CB 4.18Å; F341-C349 HydrophobicContact CD1-CB 4.2Å; F341-C349 PolarHBondContact N-O 3.07Å; F341-C349 WeakPolarHBondContact O-CA 3.45Å; F341-C349 WeakPolarHBondContact O-CB 3.21Å; F341-C349 PolarHBondContact O-N 2.76Å; D347-C349 PolarHBondContact O-N 3Å; C349-L351 PolarHBondContact O-N 3.37Å
350P62.8Low54.7Low68 Ų6885.3 Ų85.344%0.44245%0.452SS..EExtended strand (participates in β ladder)trans-65.8128.1165.327.4-29.9000108.9
351L56.9Low54.8Low43 Ų4387.9 Ų87.923%0.22546%0.463CS..PPolyproline II helixtrans-76.9139.2169.3-69.8169.8000108.1M313 F336 K339 F341 C349M313-L351 HydrophobicContact CE-CD2 3.88Å; F336-L351 HydrophobicContact CD1-CD1 3.84Å; F336-L351 HydrophobicContact CE1-CD1 4.03Å; F336-L351 HydrophobicContact CE1-CD2 4.44Å; K339-L351 PolarHBondContact O-N 2.96Å; F341-L351 HydrophobicContact CB-CD2 4.49Å; C349-L351 PolarHBondContact O-N 3.37Å
352P49.8Very low54.6Low85 Ų8594 Ų9455%0.55250%0.496SS*.PPolyproline II helixtrans-57144.3174.122.3-31000110K354P352-K354 PolarHBondContact O-N 3.15Å
353P49.1Very low54.6Low128 Ų12896.7 Ų96.783%0.83151%0.506SS*.PPolyproline II helixtrans-56.4141.4171.723.9-31.2000109.6
354K42.1Very low54.5Low269 Ų269104.5 Ų104.5100%1.1755%0.546SS*.  trans-57.90176-88.7-172176.1-177.90112.3P352P352-K354 PolarHBondContact O-N 3.15Å

Retrieved 354 of 354 residues in 659.5 ms (Link to these results)