A0A077ZLP2_TRITR Loading...

WD repeat protein

AlphaFold DB , UniProt , Accession A0A077ZLP2, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 302 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
1M68Low90.2Very high189 Ų18968.7 Ų68.793%0.93135%0.347SS*.  0128.70-174.9177.6-77.500106.5L276M1-L276 HydrophobicContact SD-CD2 3.87Å
2S86.6Confident90.4Very high77 Ų7774 Ų7454%0.53836%0.36SS..  trans-71.1133.9176.7-169.60000109
3I91.4Very high90.4Very high10 Ų1071.5 Ų71.55%0.05135%0.349CS..  trans-79.7134.5173.2-66.7165.1000107.6L8 D231 Y234 F271 L276I3-L8 HydrophobicContact CG2-CD1 3.94Å; I3-L8 HydrophobicContact CG2-CD2 3.63Å; I3-L8 HydrophobicContact CG2-CG 3.67Å; I3-D231 WeakPolarHBondContact CB-OD2 3.2Å; I3-D231 PolarHBondContact N-OD2 2.95Å; I3-Y234 HydrophobicContact CB-CD2 4.34Å; I3-Y234 HydrophobicContact CB-CE2 4.12Å; I3-Y234 HydrophobicContact CG2-CD2 3.98Å; I3-Y234 HydrophobicContact CG2-CE2 3.81Å; I3-Y234 WeakPolarHBondContact O-CE2 3.35Å; I3-F271 HydrophobicContact CD1-CD1 4.46Å; I3-F271 HydrophobicContact CD1-CE1 4.15Å; I3-F271 HydrophobicContact CD1-CE2 4.26Å; I3-F271 HydrophobicContact CD1-CZ 4.05Å; I3-L276 HydrophobicContact CG1-CD1 4.18Å
4T93.5Very high90.2Very high67 Ų6772.6 Ų72.641%0.41136%0.356SS..  trans-113.9155.4177.965.40000110.4E6 L7 L8T4-E6 PolarHBondContact O-N 3.26Å; T4-L7 WeakPolarHBondContact O-CB 3.43Å; T4-L7 PolarHBondContact O-N 3.22Å; T4-L7 WeakPolarHBondContact OG1-CB 3.35Å; T4-L7 PolarHBondContact OG1-N 3.09Å; T4-L8 WeakPolarHBondContact O-CG 3.32Å; T4-L8 PolarHBondContact O-N 3.25Å; T4-L8 VanDerWaalsContact O-N 3.12Å
5T94Very high89.3Confident29 Ų2972.3 Ų72.318%0.17835%0.352CS..Hα-helixtrans-58.1-35.8175.7-54.60000112L8 R9 Y234 H248 A255T5-L8 PolarHBondContact O-N 3.46Å; T5-R9 WeakPolarHBondContact O-CG 3.32Å; T5-R9 PolarHBondContact O-N 2.92Å; T5-Y234 PolarHBondContact N-OH 3.09Å; T5-Y234 VanDerWaalsContact N-OH 3.1Å; T5-Y234 PolarHBondContact OG1-OH 2.91Å; T5-H248 PolarHBondContact OG1-CE1 3.45Å; T5-H248 VanDerWaalsContact OG1-CE1 3.29Å; T5-A255 HydrophobicContact CG2-CB 4.01Å; T5-A255 WeakPolarHBondContact CG2-O 3.23Å
6E93.1Very high88.5Confident137 Ų13773.1 Ų73.164%0.6436%0.357SS*.Hα-helixtrans-62.9-44.8176.6-177.7176-170.300112.2T4 L8 R9 N10T4-E6 PolarHBondContact O-N 3.26Å; E6-L8 VanDerWaalsContact C-N 3.33Å; E6-L8 PolarHBondContact O-N 2.91Å; E6-R9 PolarHBondContact O-N 3.18Å; E6-N10 WeakPolarHBondContact O-CB 3.45Å; E6-N10 PolarHBondContact O-N 3.39Å; E6-N10 VanDerWaalsContact O-N 3.1Å; E6-N10 PolarHBondContact O-ND2 2.87Å
7L92.6Very high87.8Confident21 Ų2170.6 Ų70.611%0.1135%0.346CS..Hα-helixtrans-60.8-43.6176.3-176.5166.2000111.3T4 N10 L11 L276 P290T4-L7 WeakPolarHBondContact O-CB 3.43Å; T4-L7 PolarHBondContact O-N 3.22Å; T4-L7 WeakPolarHBondContact OG1-CB 3.35Å; T4-L7 PolarHBondContact OG1-N 3.09Å; L7-N10 CarbonylContact O-C 3.58Å; L7-N10 PolarHBondContact O-N 3.39Å; L7-L11 PolarHBondContact O-N 2.71Å; L7-L276 HydrophobicContact CD1-CD1 4.08Å; L7-L276 HydrophobicContact CD1-CD2 3.34Å; L7-L276 HydrophobicContact CD1-CG 4.18Å; L7-L276 HydrophobicContact CD2-CD1 3.94Å; L7-L276 HydrophobicContact CD2-CD2 4.08Å; L7-L276 HydrophobicContact CD2-CG 4.13Å; L7-L276 HydrophobicContact CG-CD2 3.98Å; L7-P290 HydrophobicContact CD2-CG 3.65Å; L7-P290 HydrophobicContact CG-CB 4.33Å; L7-P290 HydrophobicContact CG-CG 3.85Å
8L94Very high86.8Confident1 Ų171.3 Ų71.31%0.00536%0.359CS..Hα-helixtrans-63.5-41.9177.7-65.8176.6000112.3I3 T4 T5 E6 N10 L11 Y234 F246 F271I3-L8 HydrophobicContact CG2-CD1 3.94Å; I3-L8 HydrophobicContact CG2-CD2 3.63Å; I3-L8 HydrophobicContact CG2-CG 3.67Å; T4-L8 WeakPolarHBondContact O-CG 3.32Å; T4-L8 PolarHBondContact O-N 3.25Å; T4-L8 VanDerWaalsContact O-N 3.12Å; T5-L8 PolarHBondContact O-N 3.46Å; E6-L8 VanDerWaalsContact C-N 3.33Å; E6-L8 PolarHBondContact O-N 2.91Å; L8-N10 PolarHBondContact O-N 2.77Å; L8-L11 HydrophobicContact CD2-CD1 4.1Å; L8-L11 WeakPolarHBondContact O-CG 3.28Å; L8-L11 PolarHBondContact O-N 2.82Å; L8-Y234 HydrophobicContact CD1-CD1 3.65Å; L8-Y234 HydrophobicContact CD1-CD2 4.03Å; L8-Y234 HydrophobicContact CD1-CE1 3.68Å; L8-Y234 HydrophobicContact CD1-CE2 4.09Å; L8-Y234 HydrophobicContact CD1-CG 3.83Å; L8-F246 HydrophobicContact CB-CD2 4.41Å; L8-F246 HydrophobicContact CB-CG 4.45Å; L8-F246 HydrophobicContact CD1-CB 3.9Å; L8-F246 HydrophobicContact CD1-CD1 3.84Å; L8-F246 HydrophobicContact CD1-CG 3.88Å; L8-F246 HydrophobicContact CD2-CD1 3.76Å; L8-F246 HydrophobicContact CD2-CE1 3.65Å; L8-F246 HydrophobicContact CD2-CG 4.33Å; L8-F246 HydrophobicContact CD2-CZ 4.11Å; L8-F246 HydrophobicContact CG-CD1 4.3Å; L8-F246 HydrophobicContact CG-CG 4.45Å; L8-F271 HydrophobicContact CD2-CZ 3.8Å
9R92.7Very high85.7Confident157 Ų15768.2 Ų68.259%0.59234%0.343SS*.Hα-helixtrans-62.8-28.5175.2-73.8175-176.2177.61.8112.9T5 E6 A255 S256T5-R9 WeakPolarHBondContact O-CG 3.32Å; T5-R9 PolarHBondContact O-N 2.92Å; E6-R9 PolarHBondContact O-N 3.18Å; R9-A255 PolarHBondContact NH2-O 3.02Å; R9-S256 WeakPolarHBondContact CA-OG 3.3Å; R9-S256 VanDerWaalsContact CG-OG 3.23Å; R9-S256 WeakPolarHBondContact CG-OG 3.22Å; R9-S256 PolarHBondContact N-OG 3.15Å
10N92.7Very high84.2Confident62 Ų6269.6 Ų69.633%0.33236%0.355SS..THydrogen-bonded Turntrans-94.310-178-71.7-32.6000113.3E6 L7 L8 R12 P290 K291E6-N10 WeakPolarHBondContact O-CB 3.45Å; E6-N10 PolarHBondContact O-N 3.39Å; E6-N10 VanDerWaalsContact O-N 3.1Å; E6-N10 PolarHBondContact O-ND2 2.87Å; L7-N10 CarbonylContact O-C 3.58Å; L7-N10 PolarHBondContact O-N 3.39Å; L8-N10 PolarHBondContact O-N 2.77Å; N10-R12 PolarHBondContact O-N 3.16Å; N10-P290 CarbonylContact O-C 3.55Å; N10-K291 HydrophobicContact CB-CB 4.35Å; N10-K291 PolarHBondContact O-N 3.02Å
11L93.9Very high83Confident6 Ų672.7 Ų72.73%0.03137%0.373CS..EExtended strand (participates in β ladder)trans-63.3129.6172.8-71.8172.3000110.5L7 L8 F246 V258 L278 W288 P290L7-L11 PolarHBondContact O-N 2.71Å; L8-L11 HydrophobicContact CD2-CD1 4.1Å; L8-L11 WeakPolarHBondContact O-CG 3.28Å; L8-L11 PolarHBondContact O-N 2.82Å; L11-F246 HydrophobicContact CD1-CE1 4.42Å; L11-F246 HydrophobicContact CD1-CE2 4.21Å; L11-F246 HydrophobicContact CD1-CZ 3.65Å; L11-V258 HydrophobicContact CB-CG1 4.26Å; L11-L278 HydrophobicContact CD1-CD2 4.29Å; L11-W288 HydrophobicContact CB-CB 4.37Å; L11-W288 HydrophobicContact CB-CE3 4.34Å; L11-W288 HydrophobicContact CD2-CB 4.3Å; L11-P290 HydrophobicContact CD2-CG 4.12Å
12R92.4Very high82.9Confident132 Ų13264.8 Ų64.850%0.49834%0.339SS..EExtended strand (participates in β ladder)trans-120138.3177-63.9-62.6177.4-179.9-2.9109.9N10 I14 W288 V289 K291 V294N10-R12 PolarHBondContact O-N 3.16Å; R12-I14 PolarHBondContact O-N 2.88Å; R12-W288 VanDerWaalsContact O-CA 3.24Å; R12-W288 WeakPolarHBondContact O-CA 3.2Å; R12-V289 PolarHBondContact N-O 2.99Å; R12-V289 PolarHBondContact O-N 2.83Å; R12-K291 HydrophobicContact CG-CB 3.96Å; R12-K291 HydrophobicContact CG-CG 4.2Å; R12-V294 HydrophobicContact CB-CG2 4.38Å
13L90.8Very high82.7Confident42 Ų4267.8 Ų67.822%0.2235%0.345CS..EExtended strand (participates in β ladder)trans-70.1121171.4-17465.4000108.3I16 N286 F287 W288L13-I16 HydrophobicContact CD1-CG1 4.35Å; L13-I16 HydrophobicContact CD2-CD1 3.68Å; L13-I16 HydrophobicContact CD2-CG1 3.68Å; L13-I16 HydrophobicContact CG-CG1 4.09Å; L13-N286 HydrophobicContact CD1-CB 3.63Å; L13-F287 WeakPolarHBondContact CA-O 3.41Å; L13-W288 HydrophobicContact CB-CE3 4.15Å; L13-W288 HydrophobicContact CB-CH2 4.2Å; L13-W288 HydrophobicContact CB-CZ3 3.99Å; L13-W288 HydrophobicContact CD1-CD2 4.31Å; L13-W288 HydrophobicContact CD1-CH2 4.45Å; L13-W288 HydrophobicContact CD1-CZ2 4.02Å
14I86.6Confident82.5Confident86 Ų8668.6 Ų68.644%0.44135%0.349SS..EExtended strand (participates in β ladder)trans-111.5-18.3-177.851.8159.3000113.6R12 F287 V289 V294R12-I14 PolarHBondContact O-N 2.88Å; I14-F287 HydrophobicContact CD1-CB 4.46Å; I14-F287 HydrophobicContact CG1-CB 4.07Å; I14-F287 VanDerWaalsContact CG1-O 3.28Å; I14-F287 WeakPolarHBondContact CG1-O 3.33Å; I14-F287 PolarHBondContact N-O 3.07Å; I14-V289 HydrophobicContact CB-CG2 4.37Å; I14-V289 HydrophobicContact CD1-CB 4.4Å; I14-V289 HydrophobicContact CD1-CG1 3.67Å; I14-V289 HydrophobicContact CD1-CG2 3.85Å; I14-V289 HydrophobicContact CG1-CG1 4.42Å; I14-V289 HydrophobicContact CG1-CG2 4.13Å; I14-V289 HydrophobicContact CG2-CG2 3.43Å; I14-V289 VanDerWaalsContact CG2-CG2 3.43Å; I14-V294 HydrophobicContact CG2-CG2 3.75Å
15K76.9Confident82.2Confident69 Ų6970.2 Ų70.230%0.335%0.347SS..EExtended strand (participates in β ladder)trans-155.4132.2179.6177.6169.7177.8166.70110.2G53 N286 F287K15-G53 PolarHBondContact NZ-O 2.83Å; K15-N286 WeakPolarHBondContact O-CA 3.22Å; K15-F287 HydrophobicContact CB-CB 4.32Å; K15-F287 HydrophobicContact CB-CD2 3.9Å; K15-F287 HydrophobicContact CD-CD2 4.11Å; K15-F287 HydrophobicContact CD-CE2 4.25Å; K15-F287 HydrophobicContact CG-CD2 3.98Å; K15-F287 HydrophobicContact CG-CE2 4.47Å; K15-F287 PolarHBondContact O-N 3.33Å
16I76Confident81.9Confident85 Ų8570.9 Ų70.944%0.43635%0.35SS..EExtended strand (participates in β ladder)trans-112.7118.9167.1-52.2176000106.2L13L13-I16 HydrophobicContact CD1-CG1 4.35Å; L13-I16 HydrophobicContact CD2-CD1 3.68Å; L13-I16 HydrophobicContact CD2-CG1 3.68Å; L13-I16 HydrophobicContact CG-CG1 4.09Å
17D77.3Confident81.9Confident30 Ų3064.7 Ų64.716%0.1632%0.321CS..EExtended strand (participates in β ladder)trans-9894162.6-159.5-41.3000107.3I19 R46 Y48 L285D17-I19 VanDerWaalsContact C-N 3.33Å; D17-I19 PolarHBondContact O-N 3.02Å; D17-R46 IonicContact OD1-NH1 2.74Å; D17-Y48 WeakPolarHBondContact OD2-CE1 3.24Å; D17-Y48 PolarHBondContact OD2-OH 3.31Å; D17-L285 HydrophobicContact CB-CB 4.44Å; D17-L285 PolarHBondContact N-O 3.22Å; D17-L285 PolarHBondContact O-N 3.22Å; D17-L285 VanDerWaalsContact O-N 3.14Å
18S69.1Low81.9Confident83 Ų8364.9 Ų64.958%0.5833%0.328SS*.  trans-68.499.5166.548.80000106.4V20S18-V20 PolarHBondContact O-N 3.33Å
19I66.9Low81.8Confident13 Ų1366.1 Ų66.17%0.06733%0.333CS..  trans-58.7103.2-174.7-64.2-174.7000108.6D17 N21 L24 T40D17-I19 VanDerWaalsContact C-N 3.33Å; D17-I19 PolarHBondContact O-N 3.02Å; I19-N21 PolarHBondContact O-N 3.34Å; I19-L24 HydrophobicContact CD1-CB 3.62Å; I19-L24 HydrophobicContact CD1-CD1 3.77Å; I19-L24 HydrophobicContact CD1-CG 4.21Å; I19-T40 HydrophobicContact CD1-CG2 3.88Å; I19-T40 HydrophobicContact CG2-CG2 3.35Å
20V55Low81.7Confident95 Ų9560.1 Ų60.158%0.57632%0.316SS*.THydrogen-bonded Turntrans-63.5123.3178.1-173.80000108S18 R46S18-V20 PolarHBondContact O-N 3.33Å; V20-R46 PolarHBondContact O-NH2 2.82Å; V20-R46 VanDerWaalsContact O-NH2 3.08Å
21N59Low81.5Confident136 Ų13665.2 Ų65.273%0.72733%0.33SS*.THydrogen-bonded Turntrans7135.6177.7-57.9-22.8000117.7I19 N42I19-N21 PolarHBondContact O-N 3.34Å; N21-N42 PolarHBondContact O-ND2 3.04Å; N21-N42 VanDerWaalsContact O-ND2 3.15Å; N21-N42 PolarHBondContact O-OD1 2.8Å
22G66.9Low81.3Confident22 Ų2268.9 Ų68.923%0.22735%0.35CS..SBendtrans177.5173.3167.700000112.6
23H81.6Confident81.3Confident141 Ų14162.6 Ų62.665%0.65333%0.326SS*.  trans-96.7145.1169.2-60-63000109.8R25 T40 T41H23-R25 PolarHBondContact O-N 3.02Å; H23-T40 CarbonylContact O-C 3.55Å; H23-T40 WeakPolarHBondContact O-CA 3.37Å; H23-T41 HydrophobicContact CB-CG2 3.87Å; H23-T41 PolarHBondContact N-OG1 2.83Å; H23-T41 PolarHBondContact O-N 2.85Å
24L88.2Confident81.4Confident27 Ų2762.7 Ų62.714%0.14133%0.327CS..EExtended strand (participates in β ladder)trans-62118.1170.5178.860.3000108.8I19 D26 F27 C38 G284 L285I19-L24 HydrophobicContact CD1-CB 3.62Å; I19-L24 HydrophobicContact CD1-CD1 3.77Å; I19-L24 HydrophobicContact CD1-CG 4.21Å; L24-D26 WeakPolarHBondContact CD1-O 3.46Å; L24-F27 HydrophobicContact CD1-CB 4.49Å; L24-F27 HydrophobicContact CD2-CD1 4.14Å; L24-C38 HydrophobicContact CD1-CB 3.55Å; L24-G284 WeakPolarHBondContact CD2-O 3.29Å; L24-L285 HydrophobicContact CD2-CB 4.09Å; L24-L285 HydrophobicContact CD2-CD1 4.22Å
25R86Confident81.7Confident101 Ų10160.3 Ų60.338%0.38132%0.315SS..EExtended strand (participates in β ladder)trans-86.8-51.5176.1-175.3171.8-176165.7-0110.3H23 S39 E91H23-R25 PolarHBondContact O-N 3.02Å; R25-S39 PolarHBondContact N-O 3.26Å; R25-E91 IonicContact NH2-OE1 3.87Å; R25-E91 PolarHBondContact NH2-OE1 3.28Å
26D88.7Confident82.5Confident43 Ų4357 Ų5723%0.2330%0.3CS..EExtended strand (participates in β ladder)trans-156.5165.2176.8-156.66.5000112.9L24 C38 S39 R268L24-D26 WeakPolarHBondContact CD1-O 3.46Å; D26-C38 CarbonylContact O-C 3.47Å; D26-C38 WeakPolarHBondContact O-CA 3.45Å; D26-C38 WeakPolarHBondContact O-CB 3.33Å; D26-S39 PolarHBondContact N-O 2.93Å; D26-S39 PolarHBondContact N-OG 3.44Å; D26-S39 PolarHBondContact O-N 2.54Å; D26-R268 VanDerWaalsContact OD1-CD 3.26Å; D26-R268 WeakPolarHBondContact OD1-CD 3.08Å; D26-R268 IonicContact OD1-CZ 3.55Å; D26-R268 IonicContact OD1-NE 2.76Å; D26-R268 PolarHBondContact OD1-NE 2.79Å; D26-R268 VanDerWaalsContact OD1-NE 3.1Å; D26-R268 IonicContact OD1-NH1 3.9Å; D26-R268 PolarHBondContact OD1-NH1 3.19Å; D26-R268 IonicContact OD1-NH2 3.14Å; D26-R268 PolarHBondContact OD1-NH2 3.02Å; D26-R268 IonicContact OD2-CZ 3.77Å; D26-R268 IonicContact OD2-NH1 2.94Å; D26-R268 PolarHBondContact OD2-NH1 2.88Å; D26-R268 IonicContact OD2-NH2 3.74Å; D26-R268 PolarHBondContact OD2-NH2 3.33Å
27F92.7Very high83.2Confident6 Ų654.5 Ų54.53%0.02629%0.292CS..EExtended strand (participates in β ladder)trans-146.4161.2170.571.8-88.3000112.4L24 L36 A37 C38 R268 Q270 A279 L285L24-F27 HydrophobicContact CD1-CB 4.49Å; L24-F27 HydrophobicContact CD2-CD1 4.14Å; F27-L36 HydrophobicContact CB-CD2 4.3Å; F27-L36 HydrophobicContact CD2-CD1 3.72Å; F27-L36 HydrophobicContact CD2-CG 4.42Å; F27-L36 HydrophobicContact CE2-CD1 4.36Å; F27-L36 HydrophobicContact CG-CD1 4.48Å; F27-A37 CarbonylContact C-O 3.57Å; F27-A37 WeakPolarHBondContact CA-O 3.07Å; F27-A37 WeakPolarHBondContact CB-O 3.42Å; F27-C38 HydrophobicContact CB-CB 3.65Å; F27-R268 HydrophobicContact CE1-CB 3.8Å; F27-R268 HydrophobicContact CE1-CG 3.77Å; F27-R268 HydrophobicContact CZ-CB 4.27Å; F27-R268 HydrophobicContact CZ-CG 3.8Å; F27-R268 PolarHBondContact O-NH1 2.9Å; F27-Q270 HydrophobicContact CE2-CB 3.96Å; F27-Q270 HydrophobicContact CZ-CB 4.43Å; F27-A279 HydrophobicContact CD2-CB 4.16Å; F27-A279 HydrophobicContact CE2-CB 3.57Å; F27-A279 HydrophobicContact CZ-CB 4.07Å; F27-A279 WeakPolarHBondContact CZ-O 3.49Å; F27-L285 HydrophobicContact CB-CD1 4.22Å; F27-L285 HydrophobicContact CD1-CD1 4.03Å; F27-L285 HydrophobicContact CD2-CD1 4.28Å; F27-L285 HydrophobicContact CE1-CD1 4.48Å; F27-L285 HydrophobicContact CG-CD1 3.91Å
28G92.2Very high83.8Confident25 Ų2553.1 Ų53.126%0.25828%0.284SS..EExtended strand (participates in β ladder)trans-158.5149.4173.100000112.9L36 A37G28-L36 WeakPolarHBondContact O-CA 3.44Å; G28-A37 PolarHBondContact N-O 3.44Å; G28-A37 PolarHBondContact O-N 2.91Å
29F92.7Very high84.6Confident27 Ų2750.9 Ų50.912%0.11827%0.269CS..EExtended strand (participates in β ladder)trans-80.9147.8170.9-65.9-74.3000111.9L35 L36 Q270 F271 N272 P273 A279F29-L35 CarbonylContact C-O 3.59Å; F29-L35 WeakPolarHBondContact CA-O 3.09Å; F29-L36 HydrophobicContact CD1-CB 3.82Å; F29-L36 HydrophobicContact CD1-CD1 3.95Å; F29-L36 HydrophobicContact CD1-CG 4.31Å; F29-L36 HydrophobicContact CE1-CB 3.95Å; F29-L36 HydrophobicContact CE1-CD1 3.5Å; F29-L36 HydrophobicContact CE1-CG 4.28Å; F29-L36 HydrophobicContact CE2-CD1 4.3Å; F29-L36 HydrophobicContact CZ-CD1 3.71Å; F29-Q270 HydrophobicContact CD2-CB 4.21Å; F29-Q270 HydrophobicContact CD2-CG 3.99Å; F29-Q270 HydrophobicContact CE2-CB 4.01Å; F29-Q270 HydrophobicContact CE2-CG 4.24Å; F29-Q270 WeakPolarHBondContact CE2-O 3.41Å; F29-F271 WeakPolarHBondContact CD2-O 3.41Å; F29-N272 HydrophobicContact CD1-CB 4.15Å; F29-N272 WeakPolarHBondContact CD1-ND2 3.4Å; F29-N272 HydrophobicContact CD2-CB 4.49Å; F29-N272 HydrophobicContact CE1-CB 3.81Å; F29-N272 VanDerWaalsContact CE1-ND2 3.32Å; F29-N272 WeakPolarHBondContact CE1-ND2 3.4Å; F29-N272 HydrophobicContact CE2-CB 4.2Å; F29-N272 HydrophobicContact CG-CB 4.47Å; F29-N272 HydrophobicContact CZ-CB 3.84Å; F29-P273 HydrophobicContact CB-CG 4.49Å; F29-A279 HydrophobicContact CE1-CB 4.48Å; F29-A279 HydrophobicContact CE2-CB 3.97Å; F29-A279 HydrophobicContact CZ-CB 3.53Å
30S90.9Very high85.5Confident32 Ų3250.3 Ų50.322%0.22427%0.266CS..  trans-63.8153.9164.1600000110.5D32 G33 L34 L35S30-D32 WeakPolarHBondContact CB-OD1 3.46Å; S30-D32 PolarHBondContact O-N 3.26Å; S30-D32 VanDerWaalsContact O-N 3.16Å; S30-D32 PolarHBondContact OG-OD1 3.38Å; S30-G33 WeakPolarHBondContact O-CA 3.24Å; S30-G33 PolarHBondContact O-N 2.94Å; S30-L34 PolarHBondContact OG-N 2.9Å; S30-L35 PolarHBondContact N-O 3.46Å; S30-L35 PolarHBondContact OG-N 2.97Å; S30-L35 PolarHBondContact OG-O 2.82Å
31R86.8Confident86.8Confident169 Ų16949.2 Ų49.264%0.63826%0.26SS*.THydrogen-bonded Turntrans-57.3-33.9-177.5-175-177.8-82.8164.54.5112.9G33 S98 P99R31-G33 VanDerWaalsContact C-N 3.29Å; R31-S98 PolarHBondContact NH2-O 3.19Å; R31-P99 PolarHBondContact NH1-O 3.25Å; R31-P99 PolarHBondContact NH2-O 3.13Å
32D90.1Very high87.8Confident83 Ų8345.8 Ų45.844%0.44424%0.241SC..THydrogen-bonded Turntrans-82.4-2.8177.367.2-2.5000114S30 L34 K274S30-D32 WeakPolarHBondContact CB-OD1 3.46Å; S30-D32 PolarHBondContact O-N 3.26Å; S30-D32 VanDerWaalsContact O-N 3.16Å; S30-D32 PolarHBondContact OG-OD1 3.38Å; D32-L34 HydrophobicContact CB-CG 4.43Å; D32-L34 PolarHBondContact O-N 2.98Å; D32-L34 PolarHBondContact OD1-N 2.79Å; D32-L34 WeakPolarHBondContact OD2-CD1 3.12Å; D32-K274 WeakPolarHBondContact O-CB 3.44Å; D32-K274 WeakPolarHBondContact O-CD 3.14Å
33G92.4Very high88.1Confident0 Ų047.6 Ų47.60%025%0.246CC..SBendtrans67.79.3-179.100000115.2S30 R31 N272 Y275S30-G33 WeakPolarHBondContact O-CA 3.24Å; S30-G33 PolarHBondContact O-N 2.94Å; R31-G33 VanDerWaalsContact C-N 3.29Å; G33-N272 PolarHBondContact O-ND2 2.91Å; G33-N272 PolarHBondContact O-OD1 2.52Å; G33-Y275 WeakPolarHBondContact O-CE2 3.48Å
34L93.8Very high88.1Confident44 Ų4441 Ų4123%0.2322%0.215CC..SBendtrans-78.3-32.5-179.9-68.1-174.7000112.7S30 D32 Y49 C50 K274 Y275S30-L34 PolarHBondContact OG-N 2.9Å; D32-L34 HydrophobicContact CB-CG 4.43Å; D32-L34 PolarHBondContact O-N 2.98Å; D32-L34 PolarHBondContact OD1-N 2.79Å; D32-L34 WeakPolarHBondContact OD2-CD1 3.12Å; L34-Y49 HydrophobicContact CB-CE2 4.24Å; L34-Y49 HydrophobicContact CD2-CE2 4.23Å; L34-Y49 WeakPolarHBondContact O-CD2 3.38Å; L34-C50 PolarHBondContact O-N 3.2Å; L34-K274 HydrophobicContact CD2-CD 4.02Å; L34-Y275 HydrophobicContact CD2-CE2 4.2Å; L34-Y275 WeakPolarHBondContact CD2-OH 3.46Å
35L93.1Very high87.9Confident36 Ų3641.4 Ų41.419%0.18822%0.217CC..EExtended strand (participates in β ladder)trans-119.6151.3-174.3-55.6178.7000111.1F29 S30 V47 Y48 Y49 L56 I76F29-L35 CarbonylContact C-O 3.59Å; F29-L35 WeakPolarHBondContact CA-O 3.09Å; S30-L35 PolarHBondContact N-O 3.46Å; S30-L35 PolarHBondContact OG-N 2.97Å; S30-L35 PolarHBondContact OG-O 2.82Å; L35-V47 HydrophobicContact CB-CG1 4.25Å; L35-V47 HydrophobicContact CD1-CG1 4.35Å; L35-V47 HydrophobicContact CD2-CG1 4.4Å; L35-Y48 CarbonylContact C-O 3.56Å; L35-Y48 VanDerWaalsContact CA-O 3.27Å; L35-Y48 WeakPolarHBondContact CA-O 3.31Å; L35-Y49 HydrophobicContact CD2-CD2 4.19Å; L35-L56 HydrophobicContact CD2-CD1 3.49Å; L35-L56 VanDerWaalsContact CD2-CD1 3.49Å; L35-I76 HydrophobicContact CD1-CD1 3.79Å; L35-I76 HydrophobicContact CD1-CG2 4.42Å
36L93.2Very high87.9Confident0 Ų037.6 Ų37.60%020%0.203CC..EExtended strand (participates in β ladder)trans-124.3130.4162.4176150.2000108.1F27 G28 F29 C38 V47 Y48 C50 A279 L285 F287F27-L36 HydrophobicContact CB-CD2 4.3Å; F27-L36 HydrophobicContact CD2-CD1 3.72Å; F27-L36 HydrophobicContact CD2-CG 4.42Å; F27-L36 HydrophobicContact CE2-CD1 4.36Å; F27-L36 HydrophobicContact CG-CD1 4.48Å; G28-L36 WeakPolarHBondContact O-CA 3.44Å; F29-L36 HydrophobicContact CD1-CB 3.82Å; F29-L36 HydrophobicContact CD1-CD1 3.95Å; F29-L36 HydrophobicContact CD1-CG 4.31Å; F29-L36 HydrophobicContact CE1-CB 3.95Å; F29-L36 HydrophobicContact CE1-CD1 3.5Å; F29-L36 HydrophobicContact CE1-CG 4.28Å; F29-L36 HydrophobicContact CE2-CD1 4.3Å; F29-L36 HydrophobicContact CZ-CD1 3.71Å; L36-C38 HydrophobicContact CD2-CB 4.26Å; L36-V47 CarbonylContact O-C 3.54Å; L36-V47 WeakPolarHBondContact O-CA 3.24Å; L36-Y48 HydrophobicContact CD2-CD2 3.95Å; L36-Y48 PolarHBondContact N-O 3.34Å; L36-Y48 PolarHBondContact O-N 3.27Å; L36-C50 PolarHBondContact N-SG 3.02Å; L36-A279 HydrophobicContact CD1-CB 3.69Å; L36-L285 HydrophobicContact CD1-CD1 4.3Å; L36-L285 HydrophobicContact CD2-CD1 4.29Å; L36-L285 HydrophobicContact CD2-CD2 3.4Å; L36-L285 HydrophobicContact CD2-CG 4.48Å; L36-F287 HydrophobicContact CD1-CE1 3.95Å; L36-F287 HydrophobicContact CD1-CZ 4.49Å; L36-F287 HydrophobicContact CD2-CZ 4.49Å
37A90.5Very high88Confident31 Ų3135.6 Ų35.626%0.25619%0.192SC..EExtended strand (participates in β ladder)trans-105.5143.2169.800000109.5F27 G28 R46 V47F27-A37 CarbonylContact C-O 3.57Å; F27-A37 WeakPolarHBondContact CA-O 3.07Å; F27-A37 WeakPolarHBondContact CB-O 3.42Å; G28-A37 PolarHBondContact N-O 3.44Å; G28-A37 PolarHBondContact O-N 2.91Å; A37-R46 CarbonylContact C-O 3.58Å; A37-R46 VanDerWaalsContact CA-O 3.28Å; A37-R46 WeakPolarHBondContact CA-O 3.38Å; A37-V47 HydrophobicContact CB-CG2 4.24Å
38C90.3Very high87.9Confident1 Ų135.3 Ų35.31%0.00719%0.191CC..EExtended strand (participates in β ladder)trans-136.3149.1169.369.90000111.6L24 D26 F27 L36 L45 R46 L285L24-C38 HydrophobicContact CD1-CB 3.55Å; D26-C38 CarbonylContact O-C 3.47Å; D26-C38 WeakPolarHBondContact O-CA 3.45Å; D26-C38 WeakPolarHBondContact O-CB 3.33Å; F27-C38 HydrophobicContact CB-CB 3.65Å; L36-C38 HydrophobicContact CD2-CB 4.26Å; C38-L45 WeakPolarHBondContact O-CA 3.49Å; C38-L45 VanDerWaalsContact O-CD1 3.28Å; C38-L45 WeakPolarHBondContact O-CD1 3.35Å; C38-R46 PolarHBondContact N-O 2.83Å; C38-R46 PolarHBondContact O-N 2.81Å; C38-L285 HydrophobicContact CB-CD2 4.48Å
39S86.4Confident87.9Confident36 Ų3637.6 Ų37.625%0.25219%0.192SC..EExtended strand (participates in β ladder)trans-113150.7176.560.30000110.6R25 D26 A44R25-S39 PolarHBondContact N-O 3.26Å; D26-S39 PolarHBondContact N-O 2.93Å; D26-S39 PolarHBondContact N-OG 3.44Å; D26-S39 PolarHBondContact O-N 2.54Å; S39-A44 WeakPolarHBondContact CA-O 3.49Å
40T85.6Confident87.8Confident1 Ų136.6 Ų36.61%0.00619%0.189CC..EExtended strand (participates in β ladder)trans-119.7165.3-177.563.80000111.1I19 H23 N42 D43 A44I19-T40 HydrophobicContact CD1-CG2 3.88Å; I19-T40 HydrophobicContact CG2-CG2 3.35Å; H23-T40 CarbonylContact O-C 3.55Å; H23-T40 WeakPolarHBondContact O-CA 3.37Å; T40-N42 WeakPolarHBondContact CB-OD1 3.32Å; T40-N42 PolarHBondContact O-N 2.91Å; T40-N42 PolarHBondContact OG1-OD1 3.39Å; T40-D43 PolarHBondContact O-N 3.16Å; T40-D43 VanDerWaalsContact O-N 3.12Å; T40-A44 HydrophobicContact CG2-CB 4.39Å; T40-A44 PolarHBondContact N-O 3.32Å; T40-A44 WeakPolarHBondContact OG1-CA 3.41Å; T40-A44 VanDerWaalsContact OG1-CB 3.3Å; T40-A44 WeakPolarHBondContact OG1-CB 3.48Å; T40-A44 PolarHBondContact OG1-N 2.83Å; T40-A44 PolarHBondContact OG1-O 2.86Å; T40-A44 VanDerWaalsContact OG1-O 3.12Å
41T82.2Confident87.7Confident73 Ų7341.9 Ų41.945%0.44821%0.208SC..THydrogen-bonded Turntrans-69.7-13.517754.90000114.2H23 D43H23-T41 HydrophobicContact CB-CG2 3.87Å; H23-T41 PolarHBondContact N-OG1 2.83Å; H23-T41 PolarHBondContact O-N 2.85Å; T41-D43 VanDerWaalsContact C-N 3.31Å
42N78.7Confident87.7Confident63 Ų6338.2 Ų38.234%0.33720%0.204SC..THydrogen-bonded Turntrans-97.822.2171.568.8-42.7000112N21 T40 A44N21-N42 PolarHBondContact O-ND2 3.04Å; N21-N42 VanDerWaalsContact O-ND2 3.15Å; N21-N42 PolarHBondContact O-OD1 2.8Å; T40-N42 WeakPolarHBondContact CB-OD1 3.32Å; T40-N42 PolarHBondContact O-N 2.91Å; T40-N42 PolarHBondContact OG1-OD1 3.39Å; N42-A44 PolarHBondContact O-N 2.81Å; N42-A44 VanDerWaalsContact O-N 3.07Å
43D74.9Confident87.5Confident61 Ų6134.9 Ų34.933%0.32619%0.189SC..SBendtrans59.120.9176.4-57.9-40.4000115.3T40 T41 N61 L66T40-D43 PolarHBondContact O-N 3.16Å; T40-D43 VanDerWaalsContact O-N 3.12Å; T41-D43 VanDerWaalsContact C-N 3.31Å; D43-N61 HydrophobicContact CB-CB 4.01Å; D43-N61 WeakPolarHBondContact O-CB 3.44Å; D43-L66 HydrophobicContact CB-CD1 3.48Å; D43-L66 VanDerWaalsContact CB-CD1 3.48Å; D43-L66 WeakPolarHBondContact OD2-CB 3.2Å; D43-L66 WeakPolarHBondContact OD2-CD1 3.27Å
44A80.3Confident87.3Confident1 Ų141.7 Ų41.71%0.00822%0.219CC..  trans-78.6137.4169.600000109.5S39 T40 N42 I59 D60S39-A44 WeakPolarHBondContact CA-O 3.49Å; T40-A44 HydrophobicContact CG2-CB 4.39Å; T40-A44 PolarHBondContact N-O 3.32Å; T40-A44 WeakPolarHBondContact OG1-CA 3.41Å; T40-A44 VanDerWaalsContact OG1-CB 3.3Å; T40-A44 WeakPolarHBondContact OG1-CB 3.48Å; T40-A44 PolarHBondContact OG1-N 2.83Å; T40-A44 PolarHBondContact OG1-O 2.86Å; T40-A44 VanDerWaalsContact OG1-O 3.12Å; N42-A44 PolarHBondContact O-N 2.81Å; N42-A44 VanDerWaalsContact O-N 3.07Å; A44-I59 CarbonylContact C-O 3.6Å; A44-I59 VanDerWaalsContact CA-O 3.25Å; A44-I59 WeakPolarHBondContact CA-O 3.47Å; A44-D60 WeakPolarHBondContact CB-OD1 3.45Å
45L83.9Confident87Confident36 Ų3643 Ų4319%0.18823%0.226CC..EExtended strand (participates in β ladder)trans-109.1127.1167.2-162.886.5000110C38 V47 N58 I59 L74C38-L45 WeakPolarHBondContact O-CA 3.49Å; C38-L45 VanDerWaalsContact O-CD1 3.28Å; C38-L45 WeakPolarHBondContact O-CD1 3.35Å; L45-V47 HydrophobicContact CD2-CG2 4.3Å; L45-N58 CarbonylContact O-C 3.6Å; L45-N58 WeakPolarHBondContact O-CA 3.39Å; L45-I59 HydrophobicContact CB-CB 4.46Å; L45-I59 PolarHBondContact N-O 3.03Å; L45-I59 PolarHBondContact O-N 2.79Å; L45-L74 HydrophobicContact CD2-CB 4.16Å; L45-L74 HydrophobicContact CD2-CD2 3.12Å; L45-L74 HydrophobicContact CD2-CG 4.12Å; L45-L74 HydrophobicContact CG-CD2 4.43Å
46R87Confident86.7Confident22 Ų2245.6 Ų45.68%0.08324%0.239CC..EExtended strand (participates in β ladder)trans-114.1139.2175.5-69177.5-175.2164.69.2110.4D17 V20 A37 C38 Y48 L55 C57 N58D17-R46 IonicContact OD1-NH1 2.74Å; V20-R46 PolarHBondContact O-NH2 2.82Å; V20-R46 VanDerWaalsContact O-NH2 3.08Å; A37-R46 CarbonylContact C-O 3.58Å; A37-R46 VanDerWaalsContact CA-O 3.28Å; A37-R46 WeakPolarHBondContact CA-O 3.38Å; C38-R46 PolarHBondContact N-O 2.83Å; C38-R46 PolarHBondContact O-N 2.81Å; R46-Y48 HydrophobicContact CB-CE2 3.64Å; R46-Y48 WeakPolarHBondContact CD-OH 3.32Å; R46-L55 HydrophobicContact CB-CD1 3.79Å; R46-L55 HydrophobicContact CG-CD1 4.08Å; R46-C57 WeakPolarHBondContact CA-O 3.38Å; R46-N58 HydrophobicContact CG-CB 4.35Å; R46-N58 WeakPolarHBondContact CG-OD1 3.46Å; R46-N58 PolarHBondContact NE-OD1 3.04Å
47V89.5Confident86.2Confident0 Ų046.3 Ų46.30%024%0.244CC..EExtended strand (participates in β ladder)trans-124.8129.5177-175.20000109.8L35 L36 A37 L45 L56 C57 I76L35-V47 HydrophobicContact CB-CG1 4.25Å; L35-V47 HydrophobicContact CD1-CG1 4.35Å; L35-V47 HydrophobicContact CD2-CG1 4.4Å; L36-V47 CarbonylContact O-C 3.54Å; L36-V47 WeakPolarHBondContact O-CA 3.24Å; A37-V47 HydrophobicContact CB-CG2 4.24Å; L45-V47 HydrophobicContact CD2-CG2 4.3Å; V47-L56 PolarHBondContact O-N 3.46Å; V47-C57 HydrophobicContact CB-CB 4.16Å; V47-C57 HydrophobicContact CG2-CB 4.43Å; V47-C57 PolarHBondContact N-O 2.94Å; V47-C57 PolarHBondContact O-N 3.08Å; V47-I76 HydrophobicContact CG1-CD1 4.27Å; V47-I76 HydrophobicContact CG1-CG2 4.15Å; V47-I76 HydrophobicContact CG2-CG1 4.38Å; V47-I76 HydrophobicContact CG2-CG2 4.45Å
48Y91.3Very high85.9Confident0 Ų047.4 Ų47.40%025%0.246CC..EExtended strand (participates in β ladder)trans-116.4145.3-177.7-59.8-96.4000110.9D17 L35 L36 R46 K54 L55 L285 F287D17-Y48 WeakPolarHBondContact OD2-CE1 3.24Å; D17-Y48 PolarHBondContact OD2-OH 3.31Å; L35-Y48 CarbonylContact C-O 3.56Å; L35-Y48 VanDerWaalsContact CA-O 3.27Å; L35-Y48 WeakPolarHBondContact CA-O 3.31Å; L36-Y48 HydrophobicContact CD2-CD2 3.95Å; L36-Y48 PolarHBondContact N-O 3.34Å; L36-Y48 PolarHBondContact O-N 3.27Å; R46-Y48 HydrophobicContact CB-CE2 3.64Å; R46-Y48 WeakPolarHBondContact CD-OH 3.32Å; Y48-K54 CarbonylContact C-O 3.56Å; Y48-K54 VanDerWaalsContact CA-O 3.3Å; Y48-K54 WeakPolarHBondContact CA-O 3.46Å; Y48-L55 HydrophobicContact CD1-CB 4.21Å; Y48-L55 HydrophobicContact CD1-CD1 4.16Å; Y48-L55 HydrophobicContact CE1-CB 4.05Å; Y48-L55 HydrophobicContact CE1-CD1 3.73Å; Y48-L55 HydrophobicContact CE1-CG 4.48Å; Y48-L55 HydrophobicContact CE2-CD1 4.08Å; Y48-L285 HydrophobicContact CD2-CD2 4.14Å; Y48-L285 HydrophobicContact CE2-CD2 3.92Å; Y48-F287 HydrophobicContact CG-CZ 4.42Å
49Y91.7Very high85.4Confident73 Ų7348.2 Ų48.229%0.28625%0.25SS..EExtended strand (participates in β ladder)trans-85.2107.4167-173.9-134.4000110.1L34 L35 K51 T52 G53 K54L34-Y49 HydrophobicContact CB-CE2 4.24Å; L34-Y49 HydrophobicContact CD2-CE2 4.23Å; L34-Y49 WeakPolarHBondContact O-CD2 3.38Å; L35-Y49 HydrophobicContact CD2-CD2 4.19Å; Y49-K51 VanDerWaalsContact C-N 3.28Å; Y49-K51 HydrophobicContact CD1-CB 4.29Å; Y49-K51 HydrophobicContact CE1-CB 3.71Å; Y49-K51 HydrophobicContact CE1-CD 4.46Å; Y49-K51 HydrophobicContact CE2-CB 4.41Å; Y49-K51 PolarHBondContact O-N 3.1Å; Y49-K51 VanDerWaalsContact O-N 3.16Å; Y49-T52 HydrophobicContact CD1-CG2 3.73Å; Y49-T52 VanDerWaalsContact CD1-OG1 3.32Å; Y49-T52 WeakPolarHBondContact CD1-OG1 3.45Å; Y49-T52 HydrophobicContact CE1-CG2 3.9Å; Y49-T52 PolarHBondContact O-N 3.38Å; Y49-T52 VanDerWaalsContact O-N 3.09Å; Y49-T52 PolarHBondContact O-OG1 3.18Å; Y49-G53 WeakPolarHBondContact O-CA 3.48Å; Y49-G53 PolarHBondContact O-N 3.32Å; Y49-K54 PolarHBondContact N-O 3.19Å
50C92Very high84.9Confident7 Ų750.9 Ų50.95%0.04726%0.262CS..THydrogen-bonded Turntrans-57-37.5-169.3-64.90000113.7L34 L36 T52 N272 Y275 M277L34-C50 PolarHBondContact O-N 3.2Å; L36-C50 PolarHBondContact N-SG 3.02Å; C50-T52 PolarHBondContact O-N 3.45Å; C50-N272 PolarHBondContact SG-ND2 3.12Å; C50-N272 VanDerWaalsContact SG-ND2 3.44Å; C50-Y275 HydrophobicContact CB-CD2 4.14Å; C50-Y275 HydrophobicContact CB-CE2 4.32Å; C50-M277 HydrophobicContact CB-SD 4.25Å
51K88.9Confident83.9Confident143 Ų14352.3 Ų52.362%0.62227%0.269SS*.THydrogen-bonded Turntrans-61.8-31.4-178.3-171.5179.8178.6-174.60113.2Y49 Y275Y49-K51 VanDerWaalsContact C-N 3.28Å; Y49-K51 HydrophobicContact CD1-CB 4.29Å; Y49-K51 HydrophobicContact CE1-CB 3.71Å; Y49-K51 HydrophobicContact CE1-CD 4.46Å; Y49-K51 HydrophobicContact CE2-CB 4.41Å; Y49-K51 PolarHBondContact O-N 3.1Å; Y49-K51 VanDerWaalsContact O-N 3.16Å; K51-Y275 HydrophobicContact CB-CE2 4.16Å
52T86.8Confident82.7Confident91 Ų9158 Ų5856%0.55829%0.291SS*.THydrogen-bonded Turntrans-116.2-11.9-175630000113.2Y49 C50 K54Y49-T52 HydrophobicContact CD1-CG2 3.73Å; Y49-T52 VanDerWaalsContact CD1-OG1 3.32Å; Y49-T52 WeakPolarHBondContact CD1-OG1 3.45Å; Y49-T52 HydrophobicContact CE1-CG2 3.9Å; Y49-T52 PolarHBondContact O-N 3.38Å; Y49-T52 VanDerWaalsContact O-N 3.09Å; Y49-T52 PolarHBondContact O-OG1 3.18Å; C50-T52 PolarHBondContact O-N 3.45Å; T52-K54 PolarHBondContact O-N 3.28Å; T52-K54 VanDerWaalsContact OG1-CB 3.32Å; T52-K54 WeakPolarHBondContact OG1-CB 3.43Å; T52-K54 PolarHBondContact OG1-N 3.27Å
53G84.7Confident81.4Confident13 Ų1359.7 Ų59.713%0.13430%0.303CS..THydrogen-bonded Turntrans674.5-169.300000114.7K15 Y49K15-G53 PolarHBondContact NZ-O 2.83Å; Y49-G53 WeakPolarHBondContact O-CA 3.48Å; Y49-G53 PolarHBondContact O-N 3.32Å
54K87.6Confident80.1Confident143 Ų14365.5 Ų65.562%0.62233%0.328SS*.EExtended strand (participates in β ladder)trans-67.6133.4-178.2-175.6178.3177.3-179.40111.3Y48 Y49 T52 L56Y48-K54 CarbonylContact C-O 3.56Å; Y48-K54 VanDerWaalsContact CA-O 3.3Å; Y48-K54 WeakPolarHBondContact CA-O 3.46Å; Y49-K54 PolarHBondContact N-O 3.19Å; T52-K54 PolarHBondContact O-N 3.28Å; T52-K54 VanDerWaalsContact OG1-CB 3.32Å; T52-K54 WeakPolarHBondContact OG1-CB 3.43Å; T52-K54 PolarHBondContact OG1-N 3.27Å; K54-L56 PolarHBondContact O-N 3.23Å
55L88.8Confident78.7Confident72 Ų7274.1 Ų74.138%0.37737%0.368SS..EExtended strand (participates in β ladder)trans-68.8119.9167.9-177.570.1000108.8R46 Y48 C57 N58R46-L55 HydrophobicContact CB-CD1 3.79Å; R46-L55 HydrophobicContact CG-CD1 4.08Å; Y48-L55 HydrophobicContact CD1-CB 4.21Å; Y48-L55 HydrophobicContact CD1-CD1 4.16Å; Y48-L55 HydrophobicContact CE1-CB 4.05Å; Y48-L55 HydrophobicContact CE1-CD1 3.73Å; Y48-L55 HydrophobicContact CE1-CG 4.48Å; Y48-L55 HydrophobicContact CE2-CD1 4.08Å; L55-C57 WeakPolarHBondContact CD1-O 3.45Å; L55-N58 HydrophobicContact CD2-CB 4.34Å
56L86.9Confident77.4Confident90 Ų9074.2 Ų74.247%0.47137%0.369SS..EExtended strand (participates in β ladder)trans-92.4-34.6178.7-64-175.3000112.2L35 V47 K54L35-L56 HydrophobicContact CD2-CD1 3.49Å; L35-L56 VanDerWaalsContact CD2-CD1 3.49Å; V47-L56 PolarHBondContact O-N 3.46Å; K54-L56 PolarHBondContact O-N 3.23Å
57C82.4Confident76.3Confident15 Ų1576.9 Ų76.910%0.10139%0.387CS..EExtended strand (participates in β ladder)trans-153.7135.7-168.9155.70000109R46 V47 L55 I59 N79R46-C57 WeakPolarHBondContact CA-O 3.38Å; V47-C57 HydrophobicContact CB-CB 4.16Å; V47-C57 HydrophobicContact CG2-CB 4.43Å; V47-C57 PolarHBondContact N-O 2.94Å; V47-C57 PolarHBondContact O-N 3.08Å; L55-C57 WeakPolarHBondContact CD1-O 3.45Å; C57-I59 WeakPolarHBondContact SG-CG1 3.25Å; C57-N79 PolarHBondContact SG-OD1 2.89Å
58N84.4Confident75.5Confident54 Ų5483.7 Ų83.729%0.28941%0.414SS..EExtended strand (participates in β ladder)trans-130111.7168.4-175.846.8000107.3L45 R46 L55 D60L45-N58 CarbonylContact O-C 3.6Å; L45-N58 WeakPolarHBondContact O-CA 3.39Å; R46-N58 HydrophobicContact CG-CB 4.35Å; R46-N58 WeakPolarHBondContact CG-OD1 3.46Å; R46-N58 PolarHBondContact NE-OD1 3.04Å; L55-N58 HydrophobicContact CD2-CB 4.34Å; N58-D60 PolarHBondContact ND2-OD1 3.12Å; N58-D60 PolarHBondContact ND2-OD2 3.23Å; N58-D60 PolarHBondContact OD1-OD1 2.8Å
59I78.9Confident74.9Confident19 Ų1985.6 Ų85.610%0.09742%0.424CS..EExtended strand (participates in β ladder)trans-102.298.1176.8-51.8-170.1000106.4A44 L45 C57 L74 N79A44-I59 CarbonylContact C-O 3.6Å; A44-I59 VanDerWaalsContact CA-O 3.25Å; A44-I59 WeakPolarHBondContact CA-O 3.47Å; L45-I59 HydrophobicContact CB-CB 4.46Å; L45-I59 PolarHBondContact N-O 3.03Å; L45-I59 PolarHBondContact O-N 2.79Å; C57-I59 WeakPolarHBondContact SG-CG1 3.25Å; I59-L74 HydrophobicContact CD1-CD1 3.44Å; I59-L74 VanDerWaalsContact CD1-CD1 3.44Å; I59-L74 HydrophobicContact CD1-CD2 3.34Å; I59-L74 HydrophobicContact CD1-CG 3.9Å; I59-L74 HydrophobicContact CG1-CD2 4.46Å; I59-N79 WeakPolarHBondContact CD1-OD1 3.22Å; I59-N79 WeakPolarHBondContact CG1-OD1 3.39Å
60D76.6Confident74.4Confident92 Ų9283.7 Ų83.749%0.49242%0.419SS..  trans-81.6119.8170.5-61.2-41.1000107.7A44 N58 Q62A44-D60 WeakPolarHBondContact CB-OD1 3.45Å; N58-D60 PolarHBondContact ND2-OD1 3.12Å; N58-D60 PolarHBondContact ND2-OD2 3.23Å; N58-D60 PolarHBondContact OD1-OD1 2.8Å; D60-Q62 PolarHBondContact O-N 2.84Å
61N65.3Low73.9Confident31 Ų3184 Ų8417%0.16642%0.42CS..  trans-77.3107.9177-158.421.5000108.6D43 L66 R72D43-N61 HydrophobicContact CB-CB 4.01Å; D43-N61 WeakPolarHBondContact O-CB 3.44Å; N61-L66 WeakPolarHBondContact ND2-CD1 3.3Å; N61-R72 PolarHBondContact ND2-NH1 2.94Å; N61-R72 VanDerWaalsContact ND2-NH1 3.14Å
62Q55.5Low73.5Confident193 Ų19381.1 Ų81.190%0.90241%0.405SS*.  trans-821.3170.3-67.8-153-6.400112.8D60 Q64D60-Q62 PolarHBondContact O-N 2.84Å; Q62-Q64 PolarHBondContact O-N 2.89Å
63V52.1Low73.2Confident97 Ų9779 Ų7959%0.58839%0.391SS*.  trans-89.9108.6-179.4-172.50000109.8
64Q48.2Very low72.9Confident183 Ų18380 Ų8086%0.85539%0.392SS*.SBendtrans-61135.3168.6-138.8166.810.600109.2Q62Q62-Q64 PolarHBondContact O-N 2.89Å
65E50Low72.5Confident182 Ų18274.8 Ų74.885%0.8537%0.374SS*.  trans87.373.8-179-54.9-176.617500115.8
66L56.8Low71.8Confident39 Ų3974.7 Ų74.720%0.20437%0.373CS..  trans-104.1119.8161.6-110.8173000108.8D43 N61D43-L66 HydrophobicContact CB-CD1 3.48Å; D43-L66 VanDerWaalsContact CB-CD1 3.48Å; D43-L66 WeakPolarHBondContact OD2-CB 3.2Å; D43-L66 WeakPolarHBondContact OD2-CD1 3.27Å; N61-L66 WeakPolarHBondContact ND2-CD1 3.3Å
67T63.8Low71.3Confident77 Ų7777.1 Ų77.147%0.47239%0.392SS..  trans-89.5147.6174.853.10000110D69T67-D69 WeakPolarHBondContact CB-OD1 3.41Å; T67-D69 PolarHBondContact O-N 3.14Å; T67-D69 VanDerWaalsContact O-N 3.15Å; T67-D69 PolarHBondContact OG1-OD1 2.96Å
68Y72.2Confident70.9Confident143 Ų14378.4 Ų78.456%0.56141%0.408SS*.THydrogen-bonded Turntrans-71.2-4.7-173.7-74.1-99.6000114.1E91 V92Y68-E91 HydrophobicContact CD1-CG 4.49Å; Y68-E91 WeakPolarHBondContact O-CA 3.43Å; Y68-V92 PolarHBondContact O-N 3.4Å
69D79.2Confident70.3Confident40 Ų4079.7 Ų79.721%0.21442%0.415CS..THydrogen-bonded Turntrans-99.4-14.2-174.157.5-10.7000113.8T67 H88 D90T67-D69 WeakPolarHBondContact CB-OD1 3.41Å; T67-D69 PolarHBondContact O-N 3.14Å; T67-D69 VanDerWaalsContact O-N 3.15Å; T67-D69 PolarHBondContact OG1-OD1 2.96Å; D69-H88 HydrophobicContact CB-CB 4.19Å; D69-H88 WeakPolarHBondContact CB-O 3.45Å; D69-H88 WeakPolarHBondContact O-CB 3.28Å; D69-D90 WeakPolarHBondContact CB-O 3.24Å
70D81.7Confident70.1Confident33 Ų3382.7 Ų82.718%0.17643%0.434CS..  trans-87.4139.5-179.6-82.4-9.5000112.7T84 Q86D70-T84 HydrophobicContact CB-CG2 4.12Å; D70-Q86 WeakPolarHBondContact OD1-CG 3.21Å; D70-Q86 PolarHBondContact OD2-NE2 2.93Å
71L81.4Confident70Confident14 Ų1482 Ų827%0.07343%0.425CS..EExtended strand (participates in β ladder)trans-95.7147.6166.9-67.878.8000110.1T84 F85 V92 L95 W116L71-T84 CarbonylContact O-C 3.58Å; L71-T84 WeakPolarHBondContact O-CA 3.38Å; L71-F85 HydrophobicContact CB-CB 4.15Å; L71-F85 HydrophobicContact CB-CD2 4.13Å; L71-F85 PolarHBondContact N-O 3.1Å; L71-F85 VanDerWaalsContact N-O 3.08Å; L71-F85 PolarHBondContact O-N 2.72Å; L71-V92 HydrophobicContact CD1-CG2 3.83Å; L71-L95 HydrophobicContact CD2-CD2 3.43Å; L71-L95 VanDerWaalsContact CD2-CD2 3.43Å; L71-L95 HydrophobicContact CG-CD2 4.08Å; L71-W116 HydrophobicContact CD1-CH2 4.46Å; L71-W116 HydrophobicContact CD1-CZ2 3.71Å; L71-W116 HydrophobicContact CD2-CD2 4.45Å; L71-W116 HydrophobicContact CD2-CG 4.29Å
72R80.6Confident70.8Confident82 Ų8283.3 Ų83.331%0.30944%0.44SS..EExtended strand (participates in β ladder)trans-128.4137.2177.4-65.3-176169.7-169.3-1.4111.7N61 Y81 A83 T84N61-R72 PolarHBondContact ND2-NH1 2.94Å; N61-R72 VanDerWaalsContact ND2-NH1 3.14Å; R72-Y81 HydrophobicContact CB-CD1 4.12Å; R72-Y81 HydrophobicContact CB-CE1 4.35Å; R72-Y81 HydrophobicContact CG-CD1 4.46Å; R72-Y81 VanDerWaalsContact NH1-CZ 3.31Å; R72-Y81 PolarHBondContact NH1-OH 2.76Å; R72-A83 WeakPolarHBondContact CA-O 3.18Å; R72-T84 HydrophobicContact CG-CG2 4.37Å
73L80.6Confident72.1Confident47 Ų4775.5 Ų75.525%0.24641%0.409CS..EExtended strand (participates in β ladder)trans-97.6125.7166.4-177.764.4000108.9A82 A83 F85 F118L73-A82 HydrophobicContact CD2-CB 4.18Å; L73-A82 HydrophobicContact CG-CB 4.17Å; L73-A82 PolarHBondContact O-N 3.4Å; L73-A83 HydrophobicContact CB-CB 4.12Å; L73-A83 PolarHBondContact N-O 2.9Å; L73-A83 PolarHBondContact O-N 2.86Å; L73-F85 HydrophobicContact CB-CE2 3.87Å; L73-F85 HydrophobicContact CB-CZ 4.35Å; L73-F118 HydrophobicContact CD1-CD1 4.26Å; L73-F118 HydrophobicContact CD1-CE1 4.08Å; L73-F118 HydrophobicContact CD1-CE2 4.44Å; L73-F118 HydrophobicContact CD1-CG 4.5Å; L73-F118 HydrophobicContact CD1-CZ 4.16Å; L73-F118 HydrophobicContact CD2-CB 4.19Å; L73-F118 HydrophobicContact CD2-CD1 4.29Å; L73-F118 HydrophobicContact CD2-CG 4.19Å
74L78.1Confident73.7Confident33 Ų3373.8 Ų73.817%0.17340%0.399CS..EExtended strand (participates in β ladder)trans-105.1132.5173.7-168.186.1000111L45 I59 V80 Y81L45-L74 HydrophobicContact CD2-CB 4.16Å; L45-L74 HydrophobicContact CD2-CD2 3.12Å; L45-L74 HydrophobicContact CD2-CG 4.12Å; L45-L74 HydrophobicContact CG-CD2 4.43Å; I59-L74 HydrophobicContact CD1-CD1 3.44Å; I59-L74 VanDerWaalsContact CD1-CD1 3.44Å; I59-L74 HydrophobicContact CD1-CD2 3.34Å; I59-L74 HydrophobicContact CD1-CG 3.9Å; I59-L74 HydrophobicContact CG1-CD2 4.46Å; L74-V80 VanDerWaalsContact CD1-C 3.49Å; L74-V80 VanDerWaalsContact CD1-O 3.24Å; L74-V80 WeakPolarHBondContact CD1-O 3.38Å; L74-Y81 HydrophobicContact CD1-CD1 3.8Å; L74-Y81 HydrophobicContact CD1-CE1 4.02Å; L74-Y81 HydrophobicContact CD1-CG 4.31Å
75S78.3Confident75.6Confident35 Ų3565.4 Ų65.425%0.24536%0.359CS..EExtended strand (participates in β ladder)trans-86.1114162.5179.80000110.3T77 G78 N79 V80S75-T77 PolarHBondContact OG-OG1 3.47Å; S75-G78 PolarHBondContact OG-N 2.9Å; S75-G78 VanDerWaalsContact OG-N 3.13Å; S75-N79 WeakPolarHBondContact O-CA 3.28Å; S75-N79 PolarHBondContact O-N 2.94Å; S75-V80 PolarHBondContact N-O 2.83Å; S75-V80 PolarHBondContact O-N 3.41Å
76I74.3Confident77.5Confident69 Ų6962.9 Ų62.935%0.35435%0.348SS..THydrogen-bonded Turntrans-66.8-39.2176.8-56.6173.5000110.7L35 V47L35-I76 HydrophobicContact CD1-CD1 3.79Å; L35-I76 HydrophobicContact CD1-CG2 4.42Å; V47-I76 HydrophobicContact CG1-CD1 4.27Å; V47-I76 HydrophobicContact CG1-CG2 4.15Å; V47-I76 HydrophobicContact CG2-CG1 4.38Å; V47-I76 HydrophobicContact CG2-CG2 4.45Å
77T76.5Confident79.1Confident141 Ų14162.6 Ų62.687%0.86535%0.354SS*.THydrogen-bonded Turntrans-72.6-35.2-179.2510000112.4S75S75-T77 PolarHBondContact OG-OG1 3.47Å
78G74.3Confident80.5Confident42 Ų4259.1 Ų59.143%0.43333%0.332SS..THydrogen-bonded Turntrans-83.8-16.3177.400000113.8S75 V80S75-G78 PolarHBondContact OG-N 2.9Å; S75-G78 VanDerWaalsContact OG-N 3.13Å; G78-V80 WeakPolarHBondContact O-CG1 3.41Å; G78-V80 PolarHBondContact O-N 2.92Å
79N73Confident81.6Confident81 Ų8157.5 Ų57.543%0.43334%0.337SS..THydrogen-bonded Turntrans54.336.9-171.7-155.644.8000112.8C57 I59 S75C57-N79 PolarHBondContact SG-OD1 2.89Å; I59-N79 WeakPolarHBondContact CD1-OD1 3.22Å; I59-N79 WeakPolarHBondContact CG1-OD1 3.39Å; S75-N79 WeakPolarHBondContact O-CA 3.28Å; S75-N79 PolarHBondContact O-N 2.94Å
80V73.7Confident82.2Confident82 Ų8259.5 Ų59.550%0.49735%0.348SS..EExtended strand (participates in β ladder)trans-137.1153-174.2-69.10000111.6L74 S75 G78 A82L74-V80 VanDerWaalsContact CD1-C 3.49Å; L74-V80 VanDerWaalsContact CD1-O 3.24Å; L74-V80 WeakPolarHBondContact CD1-O 3.38Å; S75-V80 PolarHBondContact N-O 2.83Å; S75-V80 PolarHBondContact O-N 3.41Å; G78-V80 WeakPolarHBondContact O-CG1 3.41Å; G78-V80 PolarHBondContact O-N 2.92Å; V80-A82 PolarHBondContact O-N 2.93Å
81Y75.5Confident82.7Confident77 Ų7761.4 Ų61.430%0.30236%0.356SS..EExtended strand (participates in β ladder)trans-66.9113.5163-64.6-68.1000108.9R72 L74R72-Y81 HydrophobicContact CB-CD1 4.12Å; R72-Y81 HydrophobicContact CB-CE1 4.35Å; R72-Y81 HydrophobicContact CG-CD1 4.46Å; R72-Y81 VanDerWaalsContact NH1-CZ 3.31Å; R72-Y81 PolarHBondContact NH1-OH 2.76Å; L74-Y81 HydrophobicContact CD1-CD1 3.8Å; L74-Y81 HydrophobicContact CD1-CE1 4.02Å; L74-Y81 HydrophobicContact CD1-CG 4.31Å
82A81.4Confident83.2Confident60 Ų6061.7 Ų61.750%0.49636%0.358SS..EExtended strand (participates in β ladder)trans-81.8-33.6-178.300000111.8L73 V80L73-A82 HydrophobicContact CD2-CB 4.18Å; L73-A82 HydrophobicContact CG-CB 4.17Å; L73-A82 PolarHBondContact O-N 3.4Å; V80-A82 PolarHBondContact O-N 2.93Å
83A82.4Confident83.8Confident29 Ų2959.2 Ų59.224%0.2435%0.352CS..EExtended strand (participates in β ladder)trans-156.9155.3176.700000111.4R72 L73 F85R72-A83 WeakPolarHBondContact CA-O 3.18Å; L73-A83 HydrophobicContact CB-CB 4.12Å; L73-A83 PolarHBondContact N-O 2.9Å; L73-A83 PolarHBondContact O-N 2.86Å; A83-F85 HydrophobicContact CB-CE1 4.48Å; A83-F85 HydrophobicContact CB-CE2 4.25Å; A83-F85 HydrophobicContact CB-CZ 3.97Å
84T85.1Confident84.4Confident61 Ų6157.8 Ų57.837%0.37435%0.348SS..EExtended strand (participates in β ladder)trans-119.8129.4166.3-56.10000107.5D70 L71 R72 Q86D70-T84 HydrophobicContact CB-CG2 4.12Å; L71-T84 CarbonylContact O-C 3.58Å; L71-T84 WeakPolarHBondContact O-CA 3.38Å; R72-T84 HydrophobicContact CG-CG2 4.37Å; T84-Q86 HydrophobicContact CG2-CG 3.96Å
85F88.6Confident85.1Confident6 Ų660 Ų603%0.02636%0.36CS..EExtended strand (participates in β ladder)trans-106.5106.5176-48.7-88.8000108.7L71 L73 A83 W116 F118 V120L71-F85 HydrophobicContact CB-CB 4.15Å; L71-F85 HydrophobicContact CB-CD2 4.13Å; L71-F85 PolarHBondContact N-O 3.1Å; L71-F85 VanDerWaalsContact N-O 3.08Å; L71-F85 PolarHBondContact O-N 2.72Å; L73-F85 HydrophobicContact CB-CE2 3.87Å; L73-F85 HydrophobicContact CB-CZ 4.35Å; A83-F85 HydrophobicContact CB-CE1 4.48Å; A83-F85 HydrophobicContact CB-CE2 4.25Å; A83-F85 HydrophobicContact CB-CZ 3.97Å; F85-W116 HydrophobicContact CB-CD2 4.12Å; F85-W116 HydrophobicContact CB-CE3 3.5Å; F85-W116 HydrophobicContact CB-CH2 4.16Å; F85-W116 HydrophobicContact CB-CZ3 3.53Å; F85-W116 HydrophobicContact CD1-CE3 4.07Å; F85-W116 HydrophobicContact CG-CE3 4.04Å; F85-W116 HydrophobicContact CG-CZ3 4.5Å; F85-F118 HydrophobicContact CE2-CD1 4.03Å; F85-F118 HydrophobicContact CE2-CE1 4.44Å; F85-F118 HydrophobicContact CZ-CB 4.47Å; F85-F118 AromaticContact CZ-CD1 3.69Å; F85-F118 HydrophobicContact CZ-CD1 3.69Å; F85-V120 WeakPolarHBondContact CE1-O 3.33Å
86Q90.1Very high85.9Confident130 Ų13059.8 Ų59.861%0.60736%0.356SS*.  trans-94.3149.4-178.8-55.7-164.6-58.400110.6D70 T84D70-Q86 WeakPolarHBondContact OD1-CG 3.21Å; D70-Q86 PolarHBondContact OD2-NE2 2.93Å; T84-Q86 HydrophobicContact CG2-CG 3.96Å
87G90Very high86.7Confident32 Ų3261.8 Ų61.833%0.3337%0.368SS..  trans148.4-20.4158.500000115.1R114G87-R114 PolarHBondContact O-NH1 2.94Å; G87-R114 PolarHBondContact O-NH2 3.1Å
88H94.3Very high87.5Confident5 Ų555.2 Ų55.22%0.02333%0.327CS..  trans-57.4148.1166-81.2-65.9000108.3D69 V92 S106 A108 D110 T112 R114 W116D69-H88 HydrophobicContact CB-CB 4.19Å; D69-H88 WeakPolarHBondContact CB-O 3.45Å; D69-H88 WeakPolarHBondContact O-CB 3.28Å; H88-V92 HydrophobicContact CB-CG2 4.23Å; H88-S106 PolarHBondContact NE2-OG 3.34Å; H88-A108 HydrophobicContact CB-CB 4.29Å; H88-A108 WeakPolarHBondContact CE1-CB 3.18Å; H88-A108 WeakPolarHBondContact ND1-CB 3.31Å; H88-D110 WeakPolarHBondContact CA-OD2 3.26Å; H88-D110 IonicContact CE1-OD1 3.65Å; H88-D110 IonicContact CE1-OD2 3.95Å; H88-D110 IonicContact CG-OD2 3.61Å; H88-D110 VanDerWaalsContact ND1-CG 3.29Å; H88-D110 IonicContact ND1-OD1 3.1Å; H88-D110 PolarHBondContact ND1-OD1 3.36Å; H88-D110 VanDerWaalsContact ND1-OD1 3.1Å; H88-D110 IonicContact ND1-OD2 2.85Å; H88-D110 PolarHBondContact ND1-OD2 2.84Å; H88-T112 PolarHBondContact CE1-OG1 3.42Å; H88-T112 PolarHBondContact ND1-OG1 3.04Å; H88-R114 VanDerWaalsContact CE1-CD 3.47Å; H88-R114 WeakPolarHBondContact CE1-CD 3.26Å; H88-R114 PolarHBondContact CE1-NE 3.34Å; H88-R114 PolarHBondContact ND1-NE 3.32Å; H88-W116 AromaticContact CD2-CZ2 3.9Å
89T94.3Very high88.3Confident109 Ų10955.4 Ų55.467%0.66932%0.321SS*.SBendtrans-1118.8-177.459.70000112.1D110T89-D110 PolarHBondContact N-OD2 3Å; T89-D110 VanDerWaalsContact OG1-CB 3.31Å; T89-D110 WeakPolarHBondContact OG1-CB 3.44Å
90D93.1Very high88.9Confident81 Ų8156 Ų5643%0.43332%0.323SS..SBendtrans-160.5173179.5-152.7-20.3000109D69 V92 M109 D110D69-D90 WeakPolarHBondContact CB-O 3.24Å; D90-V92 PolarHBondContact O-N 2.86Å; D90-M109 HydrophobicContact CB-CB 3.84Å; D90-M109 VanDerWaalsContact CG-CB 3.5Å; D90-D110 HydrophobicContact CB-CB 3.94Å
91E91.2Very high89.4Confident74 Ų7454.5 Ų54.535%0.34632%0.324SS..  trans-52.9128.1-170.9178.8172.4-164.900113.2R25 Y68 T93 A108 M109R25-E91 IonicContact NH2-OE1 3.87Å; R25-E91 PolarHBondContact NH2-OE1 3.28Å; Y68-E91 HydrophobicContact CD1-CG 4.49Å; Y68-E91 WeakPolarHBondContact O-CA 3.43Å; E91-T93 HydrophobicContact CG-CG2 4.47Å; E91-T93 PolarHBondContact O-N 2.55Å; E91-A108 CarbonylContact O-C 3.33Å; E91-A108 WeakPolarHBondContact O-CA 3.48Å; E91-A108 VanDerWaalsContact O-CB 3.3Å; E91-A108 WeakPolarHBondContact O-CB 3.14Å; E91-M109 HydrophobicContact CB-CG 4.1Å; E91-M109 PolarHBondContact O-N 2.96Å
92V92.9Very high90.1Very high19 Ų1954.7 Ų54.712%0.11533%0.331CS..EExtended strand (participates in β ladder)trans-74115.5169.1-179.60000109.1Y68 L71 H88 D90 L95 A108Y68-V92 PolarHBondContact O-N 3.4Å; L71-V92 HydrophobicContact CD1-CG2 3.83Å; H88-V92 HydrophobicContact CB-CG2 4.23Å; D90-V92 PolarHBondContact O-N 2.86Å; V92-L95 HydrophobicContact CG1-CD2 4.11Å; V92-L95 HydrophobicContact CG1-CG 4.08Å; V92-A108 HydrophobicContact CG2-CB 4.36Å
93T92.1Very high90.7Very high31 Ų3153.5 Ų53.519%0.1932%0.315CS..EExtended strand (participates in β ladder)trans-98.3-26.1-17663.30000112.4E91 S107 M109 K223E91-T93 HydrophobicContact CG-CG2 4.47Å; E91-T93 PolarHBondContact O-N 2.55Å; T93-S107 PolarHBondContact N-O 3.43Å; T93-S107 PolarHBondContact OG1-O 2.98Å; T93-M109 HydrophobicContact CG2-CG 3.57Å; T93-M109 HydrophobicContact CG2-SD 3.73Å; T93-K223 PolarHBondContact O-NZ 2.9Å
94G92.5Very high91.2Very high16 Ų1652.5 Ų52.517%0.16531%0.307CS..EExtended strand (participates in β ladder)trans-138.8143.6-176.700000112.4S106 S107G94-S106 CarbonylContact O-C 3.53Å; G94-S106 VanDerWaalsContact O-CA 3.23Å; G94-S106 WeakPolarHBondContact O-CA 3.48Å; G94-S107 WeakPolarHBondContact CA-OG 3.23Å; G94-S107 PolarHBondContact N-O 3.12Å; G94-S107 PolarHBondContact N-OG 3.23Å; G94-S107 PolarHBondContact O-N 3.35Å
95L93.8Very high91.7Very high79 Ų7949.7 Ų49.741%0.41429%0.289SS..EExtended strand (participates in β ladder)trans-138.1137.4174.8-72.6170.3000109.4L71 V92 V104 V105L71-L95 HydrophobicContact CD2-CD2 3.43Å; L71-L95 VanDerWaalsContact CD2-CD2 3.43Å; L71-L95 HydrophobicContact CG-CD2 4.08Å; V92-L95 HydrophobicContact CG1-CD2 4.11Å; V92-L95 HydrophobicContact CG1-CG 4.08Å; L95-V104 HydrophobicContact CD2-CG1 4.01Å; L95-V105 WeakPolarHBondContact CA-O 3.32Å
96D94.6Very high92.1Very high31 Ų3149.4 Ų49.417%0.16629%0.288CS..EExtended strand (participates in β ladder)trans-143.7128.9174.4-159.558.5000110.1V105 C136 F137 K182D96-V105 HydrophobicContact CB-CG1 3.73Å; D96-V105 PolarHBondContact N-O 3.15Å; D96-V105 PolarHBondContact O-N 3.14Å; D96-C136 HydrophobicContact CB-CB 4.39Å; D96-C136 VanDerWaalsContact OD2-CA 3.31Å; D96-C136 WeakPolarHBondContact OD2-CA 3.24Å; D96-C136 WeakPolarHBondContact OD2-CB 3.38Å; D96-F137 PolarHBondContact OD2-N 2.97Å; D96-K182 IonicContact OD1-NZ 3.04Å; D96-K182 PolarHBondContact OD1-NZ 3.3Å
97N91.9Very high92.4Very high111 Ų11143.3 Ų43.359%0.59426%0.26SS*.EExtended strand (participates in β ladder)trans-83.5136178.5-69.5-65.3000109.7V104N97-V104 VanDerWaalsContact OD1-CG2 3.29Å; N97-V104 WeakPolarHBondContact OD1-CG2 3.32Å
98S93.5Very high92.6Very high3 Ų341.8 Ų41.82%0.02124%0.244CC..  trans-61.6140.9169.9177.20000110.1R31 I100 L103 F137R31-S98 PolarHBondContact NH2-O 3.19Å; S98-I100 WeakPolarHBondContact CB-O 3.42Å; S98-I100 PolarHBondContact O-N 3.19Å; S98-I100 PolarHBondContact OG-N 3.1Å; S98-I100 VanDerWaalsContact OG-N 3.15Å; S98-I100 PolarHBondContact OG-O 3.29Å; S98-L103 VanDerWaalsContact CB-O 3.27Å; S98-L103 WeakPolarHBondContact CB-O 3.32Å; S98-L103 PolarHBondContact N-O 3.44Å; S98-F137 VanDerWaalsContact CA-CD2 3.44Å
99P90.8Very high92.6Very high46 Ų4644.3 Ų44.330%0.29926%0.256SS..SBendtrans-73-10.7171.431.4-36.1000112.8R31 N138 P139R31-P99 PolarHBondContact NH1-O 3.25Å; R31-P99 PolarHBondContact NH2-O 3.13Å; P99-N138 WeakPolarHBondContact CG-O 3.35Å; P99-P139 VanDerWaalsContact CG-O 3.25Å; P99-P139 WeakPolarHBondContact CG-O 3.43Å
100I86.2Confident92.6Very high94 Ų9440.3 Ų40.348%0.48223%0.231SC..SBendtrans-130.5136.2176.654.4159.3000111.4S98 F140S98-I100 WeakPolarHBondContact CB-O 3.42Å; S98-I100 PolarHBondContact O-N 3.19Å; S98-I100 PolarHBondContact OG-N 3.1Å; S98-I100 VanDerWaalsContact OG-N 3.15Å; S98-I100 PolarHBondContact OG-O 3.29Å; I100-F140 WeakPolarHBondContact CD1-O 3.38Å; I100-F140 WeakPolarHBondContact CG1-O 3.5Å
101G84.5Confident92.7Very high50 Ų5039 Ų3952%0.51522%0.224SC..SBendtrans67.7-167-178.300000114.3
102D88.9Confident93Very high82 Ų8235.8 Ų35.844%0.43921%0.21SC..SBendtrans-104.646.6-172.9-67.3-36.1000111.1D117 F118D102-D117 WeakPolarHBondContact O-CA 3.39Å; D102-F118 HydrophobicContact CB-CB 4.19Å; D102-F118 HydrophobicContact CB-CD2 3.63Å; D102-F118 HydrophobicContact CB-CE2 4.45Å; D102-F118 HydrophobicContact CB-CG 4.24Å; D102-F118 PolarHBondContact O-N 3.22Å
103L93.4Very high93.1Very high34 Ų3435 Ų3518%0.17821%0.205CC..EExtended strand (participates in β ladder)trans-111143.3-175.5-61.1179.1000112.1S98 L115 W116 D117 F137 I158S98-L103 VanDerWaalsContact CB-O 3.27Å; S98-L103 WeakPolarHBondContact CB-O 3.32Å; S98-L103 PolarHBondContact N-O 3.44Å; L103-L115 HydrophobicContact CB-CD1 4.26Å; L103-W116 CarbonylContact C-O 3.53Å; L103-W116 VanDerWaalsContact CA-O 3.24Å; L103-W116 WeakPolarHBondContact CA-O 3.28Å; L103-W116 WeakPolarHBondContact CD2-O 3.29Å; L103-D117 HydrophobicContact CD2-CB 3.65Å; L103-F137 HydrophobicContact CB-CZ 4.33Å; L103-I158 HydrophobicContact CD1-CD1 3.4Å
104V94.2Very high93.3Very high9 Ų934.2 Ų34.26%0.05520%0.198CC..EExtended strand (participates in β ladder)trans-132.5141.1175.2178.30000109.5L95 N97 L115 W116 F118L95-V104 HydrophobicContact CD2-CG1 4.01Å; N97-V104 VanDerWaalsContact OD1-CG2 3.29Å; N97-V104 WeakPolarHBondContact OD1-CG2 3.32Å; V104-L115 WeakPolarHBondContact O-CA 3.39Å; V104-W116 HydrophobicContact CB-CB 4.42Å; V104-W116 PolarHBondContact N-O 3.02Å; V104-W116 PolarHBondContact O-N 2.83Å; V104-F118 HydrophobicContact CB-CE1 4.34Å; V104-F118 HydrophobicContact CG2-CD1 4.44Å; V104-F118 HydrophobicContact CG2-CE1 3.33Å; V104-F118 HydrophobicContact CG2-CE2 4.23Å; V104-F118 HydrophobicContact CG2-CZ 3.19Å
105V95.6Very high93.4Very high2 Ų234 Ų341%0.01219%0.193CC..EExtended strand (participates in β ladder)trans-106.9135.5167.366.90000109.1L95 D96 V113 R114 A135 F137 I144L95-V105 WeakPolarHBondContact CA-O 3.32Å; D96-V105 HydrophobicContact CB-CG1 3.73Å; D96-V105 PolarHBondContact N-O 3.15Å; D96-V105 PolarHBondContact O-N 3.14Å; V105-V113 HydrophobicContact CG2-CG1 3.26Å; V105-R114 CarbonylContact C-O 3.46Å; V105-R114 VanDerWaalsContact CA-O 3.29Å; V105-R114 WeakPolarHBondContact CA-O 3.23Å; V105-A135 HydrophobicContact CG1-CB 4.4Å; V105-A135 HydrophobicContact CG2-CB 3.88Å; V105-F137 HydrophobicContact CB-CD2 4.36Å; V105-F137 HydrophobicContact CB-CE2 3.73Å; V105-F137 HydrophobicContact CB-CZ 4.05Å; V105-F137 HydrophobicContact CG1-CD2 3.76Å; V105-F137 HydrophobicContact CG1-CE2 3.63Å; V105-F137 HydrophobicContact CG1-CZ 4.34Å; V105-I144 HydrophobicContact CG2-CD1 4.41Å; V105-I144 HydrophobicContact CG2-CG2 4.19Å
106S96.2Very high93.4Very high0 Ų030.3 Ų30.30%017%0.174CC..EExtended strand (participates in β ladder)trans-119.2149.2171.162.30000111.1H88 G94 V113 R114 W116H88-S106 PolarHBondContact NE2-OG 3.34Å; G94-S106 CarbonylContact O-C 3.53Å; G94-S106 VanDerWaalsContact O-CA 3.23Å; G94-S106 WeakPolarHBondContact O-CA 3.48Å; S106-V113 CarbonylContact O-C 3.56Å; S106-V113 WeakPolarHBondContact O-CA 3.34Å; S106-V113 WeakPolarHBondContact O-CG1 3.41Å; S106-R114 PolarHBondContact N-O 2.85Å; S106-R114 PolarHBondContact O-N 3.07Å; S106-W116 PolarHBondContact OG-NE1 2.96Å
107S96.1Very high93.3Very high2 Ų229.5 Ų29.51%0.01417%0.17CC..EExtended strand (participates in β ladder)trans-124.7138169.660.80000109.1T93 G94 P133T93-S107 PolarHBondContact N-O 3.43Å; T93-S107 PolarHBondContact OG1-O 2.98Å; G94-S107 WeakPolarHBondContact CA-OG 3.23Å; G94-S107 PolarHBondContact N-O 3.12Å; G94-S107 PolarHBondContact N-OG 3.23Å; G94-S107 PolarHBondContact O-N 3.35Å; S107-P133 WeakPolarHBondContact CB-O 3.46Å; S107-P133 PolarHBondContact OG-O 2.5Å
108A95.6Very high93.1Very high0 Ų027.1 Ų27.10%015%0.154CC..EExtended strand (participates in β ladder)trans-136.5167.2-174.300000112.8H88 E91 V92 D110 D111 T112H88-A108 HydrophobicContact CB-CB 4.29Å; H88-A108 WeakPolarHBondContact CE1-CB 3.18Å; H88-A108 WeakPolarHBondContact ND1-CB 3.31Å; E91-A108 CarbonylContact O-C 3.33Å; E91-A108 WeakPolarHBondContact O-CA 3.48Å; E91-A108 VanDerWaalsContact O-CB 3.3Å; E91-A108 WeakPolarHBondContact O-CB 3.14Å; V92-A108 HydrophobicContact CG2-CB 4.36Å; A108-D110 WeakPolarHBondContact CB-OD1 3.49Å; A108-D110 PolarHBondContact O-N 2.88Å; A108-D111 PolarHBondContact O-N 3.21Å; A108-T112 PolarHBondContact N-O 3.3Å; A108-T112 VanDerWaalsContact N-O 3.15Å
109M93.9Very high92.8Very high57 Ų5735.8 Ų35.828%0.28119%0.186SC..THydrogen-bonded Turntrans-66.9-13175.1-65.5-63.8-68.700113D90 E91 T93 D111 Q132D90-M109 HydrophobicContact CB-CB 3.84Å; D90-M109 VanDerWaalsContact CG-CB 3.5Å; E91-M109 HydrophobicContact CB-CG 4.1Å; E91-M109 PolarHBondContact O-N 2.96Å; T93-M109 HydrophobicContact CG2-CG 3.57Å; T93-M109 HydrophobicContact CG2-SD 3.73Å; M109-D111 PolarHBondContact O-N 2.81Å; M109-Q132 HydrophobicContact CE-CG 3.87Å; M109-Q132 HydrophobicContact SD-CB 4.35Å; M109-Q132 VanDerWaalsContact SD-CD 3.56Å; M109-Q132 HydrophobicContact SD-CG 3.58Å; M109-Q132 VanDerWaalsContact SD-CG 3.58Å
110D94.9Very high92.7Very high26 Ų2636.7 Ų36.714%0.13919%0.191CC..THydrogen-bonded Turntrans-73.510.9173.476.5-6.9000113.6H88 T89 D90 A108 T112 R114H88-D110 WeakPolarHBondContact CA-OD2 3.26Å; H88-D110 IonicContact CE1-OD1 3.65Å; H88-D110 IonicContact CE1-OD2 3.95Å; H88-D110 IonicContact CG-OD2 3.61Å; H88-D110 VanDerWaalsContact ND1-CG 3.29Å; H88-D110 IonicContact ND1-OD1 3.1Å; H88-D110 PolarHBondContact ND1-OD1 3.36Å; H88-D110 VanDerWaalsContact ND1-OD1 3.1Å; H88-D110 IonicContact ND1-OD2 2.85Å; H88-D110 PolarHBondContact ND1-OD2 2.84Å; T89-D110 PolarHBondContact N-OD2 3Å; T89-D110 VanDerWaalsContact OG1-CB 3.31Å; T89-D110 WeakPolarHBondContact OG1-CB 3.44Å; D90-D110 HydrophobicContact CB-CB 3.94Å; A108-D110 WeakPolarHBondContact CB-OD1 3.49Å; A108-D110 PolarHBondContact O-N 2.88Å; D110-T112 WeakPolarHBondContact O-CG2 3.2Å; D110-T112 PolarHBondContact O-N 2.86Å; D110-T112 VanDerWaalsContact OD1-CB 3.29Å; D110-T112 WeakPolarHBondContact OD1-CB 3.38Å; D110-T112 PolarHBondContact OD1-N 3.42Å; D110-T112 PolarHBondContact OD1-OG1 3.44Å; D110-T112 PolarHBondContact OD2-OG1 2.86Å; D110-T112 VanDerWaalsContact OD2-OG1 3.12Å; D110-R114 IonicContact OD2-CZ 3.89Å; D110-R114 IonicContact OD2-NE 3.66Å; D110-R114 IonicContact OD2-NH2 3.36Å; D110-R114 PolarHBondContact OD2-NH2 2.77Å
111D95.1Very high92.6Very high53 Ų5337.6 Ų37.628%0.28321%0.206SC..SBendtrans59.528.2-176.7-74-30.5000113.8A108 M109 A129 H131 Q132A108-D111 PolarHBondContact O-N 3.21Å; M109-D111 PolarHBondContact O-N 2.81Å; D111-A129 CarbonylContact O-C 3.42Å; D111-A129 WeakPolarHBondContact O-CA 3.24Å; D111-A129 PolarHBondContact O-N 2.83Å; D111-A129 VanDerWaalsContact O-O 3.14Å; D111-H131 WeakPolarHBondContact OD1-CA 3.48Å; D111-H131 PolarHBondContact OD1-N 3.46Å; D111-Q132 PolarHBondContact OD1-N 3.22Å
112T95.7Very high92.8Very high7 Ų736.3 Ų36.34%0.04319%0.193CC..EExtended strand (participates in β ladder)trans-121.8147.8176.976.60000112.8H88 A108 D110 R114H88-T112 PolarHBondContact CE1-OG1 3.42Å; H88-T112 PolarHBondContact ND1-OG1 3.04Å; A108-T112 PolarHBondContact N-O 3.3Å; A108-T112 VanDerWaalsContact N-O 3.15Å; D110-T112 WeakPolarHBondContact O-CG2 3.2Å; D110-T112 PolarHBondContact O-N 2.86Å; D110-T112 VanDerWaalsContact OD1-CB 3.29Å; D110-T112 WeakPolarHBondContact OD1-CB 3.38Å; D110-T112 PolarHBondContact OD1-N 3.42Å; D110-T112 PolarHBondContact OD1-OG1 3.44Å; D110-T112 PolarHBondContact OD2-OG1 2.86Å; D110-T112 VanDerWaalsContact OD2-OG1 3.12Å; T112-R114 PolarHBondContact OG1-NE 3.28Å; T112-R114 VanDerWaalsContact OG1-NE 3.1Å
113V96.1Very high93Very high2 Ų236.1 Ų36.11%0.01219%0.189CC..EExtended strand (participates in β ladder)trans-109.2127.8162.8174.90000107.9V105 S106 K126 I127 P133 A135 V146V105-V113 HydrophobicContact CG2-CG1 3.26Å; S106-V113 CarbonylContact O-C 3.56Å; S106-V113 WeakPolarHBondContact O-CA 3.34Å; S106-V113 WeakPolarHBondContact O-CG1 3.41Å; V113-K126 WeakPolarHBondContact O-CA 2.95Å; V113-I127 HydrophobicContact CB-CB 4.2Å; V113-I127 PolarHBondContact N-O 2.71Å; V113-I127 PolarHBondContact O-N 3.1Å; V113-P133 HydrophobicContact CG2-CB 3.68Å; V113-P133 HydrophobicContact CG2-CG 3.84Å; V113-A135 HydrophobicContact CG1-CB 3.64Å; V113-A135 HydrophobicContact CG2-CB 4Å; V113-V146 HydrophobicContact CG1-CG2 4.34Å; V113-V146 HydrophobicContact CG2-CG1 3.72Å; V113-V146 HydrophobicContact CG2-CG2 4.31Å
114R95.7Very high93Very high14 Ų1437.1 Ų37.15%0.05320%0.196CC..EExtended strand (participates in β ladder)trans-120.1141.5-177-63.5-176.7-169.1-157.410.6111.2G87 H88 V105 S106 D110 T112 W116 H123 G125G87-R114 PolarHBondContact O-NH1 2.94Å; G87-R114 PolarHBondContact O-NH2 3.1Å; H88-R114 VanDerWaalsContact CE1-CD 3.47Å; H88-R114 WeakPolarHBondContact CE1-CD 3.26Å; H88-R114 PolarHBondContact CE1-NE 3.34Å; H88-R114 PolarHBondContact ND1-NE 3.32Å; V105-R114 CarbonylContact C-O 3.46Å; V105-R114 VanDerWaalsContact CA-O 3.29Å; V105-R114 WeakPolarHBondContact CA-O 3.23Å; S106-R114 PolarHBondContact N-O 2.85Å; S106-R114 PolarHBondContact O-N 3.07Å; D110-R114 IonicContact OD2-CZ 3.89Å; D110-R114 IonicContact OD2-NE 3.66Å; D110-R114 IonicContact OD2-NH2 3.36Å; D110-R114 PolarHBondContact OD2-NH2 2.77Å; T112-R114 PolarHBondContact OG1-NE 3.28Å; T112-R114 VanDerWaalsContact OG1-NE 3.1Å; R114-W116 HydrophobicContact CB-CZ2 3.8Å; R114-W116 HydrophobicContact CG-CZ2 4.38Å; R114-H123 HydrophobicContact CB-CB 4.22Å; R114-G125 WeakPolarHBondContact CA-O 3.41Å
115L95.3Very high92.9Very high12 Ų1236.9 Ų36.96%0.06320%0.195CC..EExtended strand (participates in β ladder)trans-103.5127.9174.3-179.265000108.4L103 V104 H123 V124 G125 F137 I144 I158L103-L115 HydrophobicContact CB-CD1 4.26Å; V104-L115 WeakPolarHBondContact O-CA 3.39Å; L115-H123 CarbonylContact O-C 3.6Å; L115-H123 VanDerWaalsContact O-CA 3.3Å; L115-H123 WeakPolarHBondContact O-CA 3.36Å; L115-H123 WeakPolarHBondContact O-CB 3.27Å; L115-V124 HydrophobicContact CB-CG2 4.17Å; L115-V124 HydrophobicContact CD2-CG2 3.84Å; L115-V124 HydrophobicContact CG-CG2 3.65Å; L115-V124 WeakPolarHBondContact O-CG2 3.39Å; L115-V124 PolarHBondContact O-N 3.37Å; L115-G125 PolarHBondContact N-O 2.95Å; L115-G125 PolarHBondContact O-N 2.95Å; L115-F137 HydrophobicContact CD1-CE1 4.22Å; L115-F137 HydrophobicContact CD1-CZ 3.58Å; L115-I144 HydrophobicContact CD1-CD1 4.33Å; L115-I158 HydrophobicContact CD1-CD1 4.35Å; L115-I158 HydrophobicContact CD2-CD1 4.19Å; L115-I158 HydrophobicContact CD2-CG1 3.66Å
116W94.4Very high92.9Very high1 Ų141.3 Ų41.30%0.00422%0.215CC..EExtended strand (participates in β ladder)trans-117.3141-178.5-50.692000109.6L71 F85 H88 L103 V104 S106 R114 H123L71-W116 HydrophobicContact CD1-CH2 4.46Å; L71-W116 HydrophobicContact CD1-CZ2 3.71Å; L71-W116 HydrophobicContact CD2-CD2 4.45Å; L71-W116 HydrophobicContact CD2-CG 4.29Å; F85-W116 HydrophobicContact CB-CD2 4.12Å; F85-W116 HydrophobicContact CB-CE3 3.5Å; F85-W116 HydrophobicContact CB-CH2 4.16Å; F85-W116 HydrophobicContact CB-CZ3 3.53Å; F85-W116 HydrophobicContact CD1-CE3 4.07Å; F85-W116 HydrophobicContact CG-CE3 4.04Å; F85-W116 HydrophobicContact CG-CZ3 4.5Å; H88-W116 AromaticContact CD2-CZ2 3.9Å; L103-W116 CarbonylContact C-O 3.53Å; L103-W116 VanDerWaalsContact CA-O 3.24Å; L103-W116 WeakPolarHBondContact CA-O 3.28Å; L103-W116 WeakPolarHBondContact CD2-O 3.29Å; V104-W116 HydrophobicContact CB-CB 4.42Å; V104-W116 PolarHBondContact N-O 3.02Å; V104-W116 PolarHBondContact O-N 2.83Å; S106-W116 PolarHBondContact OG-NE1 2.96Å; R114-W116 HydrophobicContact CB-CZ2 3.8Å; R114-W116 HydrophobicContact CG-CZ2 4.38Å; W116-H123 HydrophobicContact CD2-CB 4.13Å; W116-H123 HydrophobicContact CE3-CB 3.74Å; W116-H123 HydrophobicContact CH2-CB 4.06Å; W116-H123 HydrophobicContact CZ2-CB 4.38Å; W116-H123 HydrophobicContact CZ3-CB 3.71Å
117D91.8Very high92.8Very high15 Ų1542 Ų428%0.0822%0.218CC..EExtended strand (participates in β ladder)trans-114.5124.8168.1-173.8-36.4000107.4D102 L103 R119 V120 V124D102-D117 WeakPolarHBondContact O-CA 3.39Å; L103-D117 HydrophobicContact CD2-CB 3.65Å; D117-R119 PolarHBondContact O-N 2.85Å; D117-R119 VanDerWaalsContact OD1-CB 3.28Å; D117-R119 WeakPolarHBondContact OD1-CB 3.44Å; D117-R119 WeakPolarHBondContact OD1-CG 3.36Å; D117-R119 IonicContact OD1-CZ 2.87Å; D117-R119 PolarHBondContact OD1-N 2.98Å; D117-R119 IonicContact OD1-NE 2.74Å; D117-R119 PolarHBondContact OD1-NE 2.97Å; D117-R119 IonicContact OD1-NH2 3Å; D117-R119 IonicContact OD2-CZ 3.22Å; D117-R119 IonicContact OD2-NE 3.1Å; D117-R119 PolarHBondContact OD2-NE 2.85Å; D117-R119 IonicContact OD2-NH2 2.71Å; D117-R119 PolarHBondContact OD2-NH2 2.67Å; D117-V120 HydrophobicContact CB-CB 4.41Å; D117-V120 HydrophobicContact CB-CG2 4.14Å; D117-V120 PolarHBondContact O-N 3.33Å; D117-V120 VanDerWaalsContact O-O 3.06Å; D117-V124 HydrophobicContact CB-CG1 3.78Å; D117-V124 HydrophobicContact CB-CG2 4.31Å
118F86.4Confident92.7Very high61 Ų6146.6 Ų46.627%0.26825%0.25SS..THydrogen-bonded Turntrans-60.2-15.6-177-60.4-36.9000113.9L73 F85 D102 V104L73-F118 HydrophobicContact CD1-CD1 4.26Å; L73-F118 HydrophobicContact CD1-CE1 4.08Å; L73-F118 HydrophobicContact CD1-CE2 4.44Å; L73-F118 HydrophobicContact CD1-CG 4.5Å; L73-F118 HydrophobicContact CD1-CZ 4.16Å; L73-F118 HydrophobicContact CD2-CB 4.19Å; L73-F118 HydrophobicContact CD2-CD1 4.29Å; L73-F118 HydrophobicContact CD2-CG 4.19Å; F85-F118 HydrophobicContact CE2-CD1 4.03Å; F85-F118 HydrophobicContact CE2-CE1 4.44Å; F85-F118 HydrophobicContact CZ-CB 4.47Å; F85-F118 AromaticContact CZ-CD1 3.69Å; F85-F118 HydrophobicContact CZ-CD1 3.69Å; D102-F118 HydrophobicContact CB-CB 4.19Å; D102-F118 HydrophobicContact CB-CD2 3.63Å; D102-F118 HydrophobicContact CB-CE2 4.45Å; D102-F118 HydrophobicContact CB-CG 4.24Å; D102-F118 PolarHBondContact O-N 3.22Å; V104-F118 HydrophobicContact CB-CE1 4.34Å; V104-F118 HydrophobicContact CG2-CD1 4.44Å; V104-F118 HydrophobicContact CG2-CE1 3.33Å; V104-F118 HydrophobicContact CG2-CE2 4.23Å; V104-F118 HydrophobicContact CG2-CZ 3.19Å
119R87.7Confident92.4Very high184 Ų18447.1 Ų47.169%0.69426%0.255SS*.THydrogen-bonded Turntrans-89.2-6.1-179.6-54.7168.2-65.4179.13112.7D117D117-R119 PolarHBondContact O-N 2.85Å; D117-R119 VanDerWaalsContact OD1-CB 3.28Å; D117-R119 WeakPolarHBondContact OD1-CB 3.44Å; D117-R119 WeakPolarHBondContact OD1-CG 3.36Å; D117-R119 IonicContact OD1-CZ 2.87Å; D117-R119 PolarHBondContact OD1-N 2.98Å; D117-R119 IonicContact OD1-NE 2.74Å; D117-R119 PolarHBondContact OD1-NE 2.97Å; D117-R119 IonicContact OD1-NH2 3Å; D117-R119 IonicContact OD2-CZ 3.22Å; D117-R119 IonicContact OD2-NE 3.1Å; D117-R119 PolarHBondContact OD2-NE 2.85Å; D117-R119 IonicContact OD2-NH2 2.71Å; D117-R119 PolarHBondContact OD2-NH2 2.67Å
120V89.5Confident92.1Very high66 Ų6647.3 Ų47.340%0.426%0.259SS..SBendtrans-123.8137.8-176.1-173.10000109.2F85 D117 G122 V124F85-V120 WeakPolarHBondContact CE1-O 3.33Å; D117-V120 HydrophobicContact CB-CB 4.41Å; D117-V120 HydrophobicContact CB-CG2 4.14Å; D117-V120 PolarHBondContact O-N 3.33Å; D117-V120 VanDerWaalsContact O-O 3.06Å; V120-G122 PolarHBondContact O-N 2.87Å; V120-V124 HydrophobicContact CB-CG1 4.2Å; V120-V124 HydrophobicContact CG1-CG1 4.37Å; V120-V124 HydrophobicContact CG2-CG1 4.14Å
121S84.2Confident91.8Very high113 Ų11350.9 Ų50.979%0.7927%0.274SS*.SBendtrans-72.1-8.2-17658.80000114.8
122G88.7Confident91.6Very high23 Ų2351.8 Ų51.824%0.23728%0.277CS..SBendtrans-133.4174.8-178.100000112V120V120-G122 PolarHBondContact O-N 2.87Å
123H92.2Very high91.5Very high77 Ų7751.5 Ų51.536%0.35628%0.275SS..EExtended strand (participates in β ladder)trans-66.6136.5174.265.7-83.1000109.9R114 L115 W116 G125R114-H123 HydrophobicContact CB-CB 4.22Å; L115-H123 CarbonylContact O-C 3.6Å; L115-H123 VanDerWaalsContact O-CA 3.3Å; L115-H123 WeakPolarHBondContact O-CA 3.36Å; L115-H123 WeakPolarHBondContact O-CB 3.27Å; W116-H123 HydrophobicContact CD2-CB 4.13Å; W116-H123 HydrophobicContact CE3-CB 3.74Å; W116-H123 HydrophobicContact CH2-CB 4.06Å; W116-H123 HydrophobicContact CZ2-CB 4.38Å; W116-H123 HydrophobicContact CZ3-CB 3.71Å; H123-G125 PolarHBondContact CD2-O 3.09Å
124V93.5Very high91.5Very high55 Ų5551.8 Ų51.833%0.33328%0.278SS..EExtended strand (participates in β ladder)trans-89.3-12.6174.7-630000111.7L115 D117 V120 Y161L115-V124 HydrophobicContact CB-CG2 4.17Å; L115-V124 HydrophobicContact CD2-CG2 3.84Å; L115-V124 HydrophobicContact CG-CG2 3.65Å; L115-V124 WeakPolarHBondContact O-CG2 3.39Å; L115-V124 PolarHBondContact O-N 3.37Å; D117-V124 HydrophobicContact CB-CG1 3.78Å; D117-V124 HydrophobicContact CB-CG2 4.31Å; V120-V124 HydrophobicContact CB-CG1 4.2Å; V120-V124 HydrophobicContact CG1-CG1 4.37Å; V120-V124 HydrophobicContact CG2-CG1 4.14Å; V124-Y161 PolarHBondContact O-OH 2.91Å
125G93.3Very high91.6Very high4 Ų451.6 Ų51.64%0.04128%0.279CS..EExtended strand (participates in β ladder)trans-155.9153.5175.600000113.5R114 L115 H123 Y161R114-G125 WeakPolarHBondContact CA-O 3.41Å; L115-G125 PolarHBondContact N-O 2.95Å; L115-G125 PolarHBondContact O-N 2.95Å; H123-G125 PolarHBondContact CD2-O 3.09Å; G125-Y161 VanDerWaalsContact CA-CZ 3.4Å; G125-Y161 WeakPolarHBondContact CA-OH 3.34Å
126K94.4Very high91.7Very high95 Ų9551 Ų5141%0.41328%0.276SS..EExtended strand (participates in β ladder)trans-140.4127.1179.8179.2179.4176170.40109V113V113-K126 WeakPolarHBondContact O-CA 2.95Å
127I94.8Very high91.9Very high16 Ų1651.4 Ų51.48%0.08228%0.278CS..EExtended strand (participates in β ladder)trans-113.3117.1172.1-60.6167.1000106.2V113 V146 F156 Y161V113-I127 HydrophobicContact CB-CB 4.2Å; V113-I127 PolarHBondContact N-O 2.71Å; V113-I127 PolarHBondContact O-N 3.1Å; I127-V146 HydrophobicContact CD1-CG2 4.28Å; I127-F156 HydrophobicContact CD1-CB 4.17Å; I127-F156 HydrophobicContact CD1-CD1 4.18Å; I127-F156 HydrophobicContact CD1-CD2 3.97Å; I127-F156 HydrophobicContact CD1-CE2 4.38Å; I127-F156 HydrophobicContact CD1-CG 3.85Å; I127-F156 HydrophobicContact CG2-CE1 4.03Å; I127-F156 HydrophobicContact CG2-CE2 4.07Å; I127-F156 HydrophobicContact CG2-CZ 3.7Å; I127-Y161 HydrophobicContact CG1-CD2 4.18Å; I127-Y161 HydrophobicContact CG1-CG 4.44Å
128S92.9Very high92.1Very high98 Ų9851.3 Ų51.369%0.68528%0.278SS*.EExtended strand (participates in β ladder)trans-74.5125.2170.3-60.40000108.8
129A89.7Confident92.5Very high11 Ų1150.4 Ų50.49%0.09128%0.278CS..  trans-118.8-170.7173.100000108.5D111 P133 F148D111-A129 CarbonylContact O-C 3.42Å; D111-A129 WeakPolarHBondContact O-CA 3.24Å; D111-A129 PolarHBondContact O-N 2.83Å; D111-A129 VanDerWaalsContact O-O 3.14Å; A129-P133 HydrophobicContact CB-CB 3.66Å; A129-P133 HydrophobicContact CB-CG 3.86Å; A129-F148 HydrophobicContact CB-CB 3.88Å; A129-F148 HydrophobicContact CB-CD2 4.35Å; A129-F148 HydrophobicContact CB-CG 4.03Å
130V87.6Confident92.9Very high60 Ų6047.8 Ų47.836%0.36427%0.271SS..SBendtrans-145.2145.9172.4-145.70000108.7F148 N149V130-F148 WeakPolarHBondContact O-CB 3.42Å; V130-N149 WeakPolarHBondContact CB-OD1 3.34Å; V130-N149 VanDerWaalsContact CG2-OD1 3.26Å; V130-N149 WeakPolarHBondContact CG2-OD1 3.29Å; V130-N149 PolarHBondContact O-N 2.87Å
131H88.4Confident93.1Very high101 Ų10144.7 Ų44.747%0.46825%0.253SS..SBendtrans62.665.6175.3-55.8-59.5000113.4D111 M150D111-H131 WeakPolarHBondContact OD1-CA 3.48Å; D111-H131 PolarHBondContact OD1-N 3.46Å; H131-M150 HydrophobicContact CB-CE 4.01Å; H131-M150 HydrophobicContact CB-SD 4.47Å
132Q90.5Very high93.6Very high72 Ų7242.7 Ų42.734%0.33623%0.234SC..SBendtrans56.875.3169.1-54.9-177.4500112.9M109 D111M109-Q132 HydrophobicContact CE-CG 3.87Å; M109-Q132 HydrophobicContact SD-CB 4.35Å; M109-Q132 VanDerWaalsContact SD-CD 3.56Å; M109-Q132 HydrophobicContact SD-CG 3.58Å; M109-Q132 VanDerWaalsContact SD-CG 3.58Å; D111-Q132 PolarHBondContact OD1-N 3.22Å
133P95.2Very high94Very high1 Ų142.4 Ų42.41%0.00623%0.227CC..  trans-65.2153.7-179.928.3-35.3000112.1S107 V113 A129 V146 V147 F148S107-P133 WeakPolarHBondContact CB-O 3.46Å; S107-P133 PolarHBondContact OG-O 2.5Å; V113-P133 HydrophobicContact CG2-CB 3.68Å; V113-P133 HydrophobicContact CG2-CG 3.84Å; A129-P133 HydrophobicContact CB-CB 3.66Å; A129-P133 HydrophobicContact CB-CG 3.86Å; P133-V146 HydrophobicContact CB-CG1 4.04Å; P133-V147 VanDerWaalsContact CA-O 3.27Å; P133-V147 WeakPolarHBondContact CA-O 3.42Å; P133-F148 HydrophobicContact CB-CB 4.33Å
134A96.3Very high94.2Very high8 Ų838.9 Ų38.97%0.06621%0.211CC..EExtended strand (participates in β ladder)trans-122.2143.315900000109.3V146 V147 V181A134-V146 WeakPolarHBondContact O-CA 3.47Å; A134-V147 HydrophobicContact CB-CG1 3.74Å; A134-V147 PolarHBondContact N-O 3.32Å; A134-V147 PolarHBondContact O-N 3.06Å; A134-V181 HydrophobicContact CB-CG1 4.06Å; A134-V181 WeakPolarHBondContact O-CG1 3.08Å
135A97.4Very high94.4Very high10 Ų1036.2 Ų36.28%0.08320%0.195CC..EExtended strand (participates in β ladder)trans-136151.4-176.300000113V105 V113 I144 A145 V146V105-A135 HydrophobicContact CG1-CB 4.4Å; V105-A135 HydrophobicContact CG2-CB 3.88Å; V113-A135 HydrophobicContact CG1-CB 3.64Å; V113-A135 HydrophobicContact CG2-CB 4Å; A135-I144 HydrophobicContact CB-CG2 4.28Å; A135-A145 CarbonylContact C-O 3.57Å; A135-A145 WeakPolarHBondContact CA-O 3.41Å; A135-V146 HydrophobicContact CB-CG2 4.22Å
136C97.6Very high94.6Very high1 Ų136 Ų361%0.00719%0.193CC..EExtended strand (participates in β ladder)trans-152.9156.1170.7650000112D96 I144 A145 V181 K182 F183D96-C136 HydrophobicContact CB-CB 4.39Å; D96-C136 VanDerWaalsContact OD2-CA 3.31Å; D96-C136 WeakPolarHBondContact OD2-CA 3.24Å; D96-C136 WeakPolarHBondContact OD2-CB 3.38Å; C136-I144 WeakPolarHBondContact O-CA 3.44Å; C136-A145 PolarHBondContact N-O 2.66Å; C136-A145 PolarHBondContact O-N 3.3Å; C136-V181 HydrophobicContact CB-CG1 4.36Å; C136-V181 WeakPolarHBondContact CB-O 3.37Å; C136-V181 PolarHBondContact SG-O 2.8Å; C136-K182 HydrophobicContact CB-CD 4.43Å; C136-F183 WeakPolarHBondContact SG-CD2 3.32Å
137F97.5Very high94.7Very high9 Ų931.6 Ų31.64%0.03917%0.174CC..EExtended strand (participates in β ladder)trans-79.9149.2170.1-75.1-76.1000111.5D96 S98 L103 V105 L115 I144 I158 F183D96-F137 PolarHBondContact OD2-N 2.97Å; S98-F137 VanDerWaalsContact CA-CD2 3.44Å; L103-F137 HydrophobicContact CB-CZ 4.33Å; V105-F137 HydrophobicContact CB-CD2 4.36Å; V105-F137 HydrophobicContact CB-CE2 3.73Å; V105-F137 HydrophobicContact CB-CZ 4.05Å; V105-F137 HydrophobicContact CG1-CD2 3.76Å; V105-F137 HydrophobicContact CG1-CE2 3.63Å; V105-F137 HydrophobicContact CG1-CZ 4.34Å; L115-F137 HydrophobicContact CD1-CE1 4.22Å; L115-F137 HydrophobicContact CD1-CZ 3.58Å; F137-I144 HydrophobicContact CD1-CG1 3.76Å; F137-I144 HydrophobicContact CE1-CD1 3.86Å; F137-I144 HydrophobicContact CE1-CG1 3.58Å; F137-I144 HydrophobicContact CZ-CD1 4.3Å; F137-I144 HydrophobicContact CZ-CG1 4.37Å; F137-I158 HydrophobicContact CE1-CD1 3.71Å; F137-I158 HydrophobicContact CE1-CG1 4.48Å; F137-I158 HydrophobicContact CZ-CD1 4.4Å; F137-F183 WeakPolarHBondContact O-CD2 3.25Å
138N97Very high94.5Very high13 Ų1332 Ų327%0.0718%0.175CC..  trans-70.7163.4163.578.9-23.9000111P99 F140 G141 N142 V143 F183P99-N138 WeakPolarHBondContact CG-O 3.35Å; N138-F140 PolarHBondContact O-N 2.84Å; N138-G141 PolarHBondContact O-N 3.16Å; N138-G141 WeakPolarHBondContact OD1-CA 3.12Å; N138-G141 PolarHBondContact OD1-N 2.81Å; N138-N142 PolarHBondContact ND2-OD1 3.49Å; N138-N142 PolarHBondContact OD1-N 2.87Å; N138-N142 PolarHBondContact OD1-OD1 2.84Å; N138-V143 HydrophobicContact CB-CB 4.13Å; N138-V143 PolarHBondContact N-O 3.15Å; N138-V143 PolarHBondContact OD1-N 3.35Å; N138-V143 VanDerWaalsContact OD1-N 3.1Å; N138-V143 PolarHBondContact OD1-O 2.76Å; N138-F183 VanDerWaalsContact CA-CD2 3.49Å; N138-F183 HydrophobicContact CB-CD1 3.85Å; N138-F183 HydrophobicContact CB-CD2 4.02Å; N138-F183 HydrophobicContact CB-CE1 3.61Å; N138-F183 HydrophobicContact CB-CE2 3.82Å; N138-F183 HydrophobicContact CB-CG 4.04Å; N138-F183 HydrophobicContact CB-CZ 3.63Å
139P95.1Very high94.2Very high41 Ų4129.4 Ų29.427%0.26615%0.154SC..THydrogen-bonded Turntrans-61.9-14.8-177.5-24.434.9000115P99 F183 S184 P185P99-P139 VanDerWaalsContact CG-O 3.25Å; P99-P139 WeakPolarHBondContact CG-O 3.43Å; P139-F183 HydrophobicContact CG-CB 4.32Å; P139-S184 WeakPolarHBondContact CG-O 3.36Å; P139-P185 WeakPolarHBondContact CB-O 3.42Å; P139-P185 WeakPolarHBondContact CG-O 3.31Å
140F94.7Very high94.2Very high129 Ų12931.1 Ų31.157%0.56616%0.16SC*.THydrogen-bonded Turntrans-100.3-5.1178.7-51.8-69.2000113.2I100 N138 N142I100-F140 WeakPolarHBondContact CD1-O 3.38Å; I100-F140 WeakPolarHBondContact CG1-O 3.5Å; N138-F140 PolarHBondContact O-N 2.84Å; F140-N142 VanDerWaalsContact C-N 3.28Å; F140-N142 WeakPolarHBondContact CB-OD1 3.42Å; F140-N142 PolarHBondContact O-N 2.78Å
141G94.7Very high94.5Very high2 Ų231.7 Ų31.72%0.02116%0.159CC..SBendtrans62.122.4178.500000116.2N138N138-G141 PolarHBondContact O-N 3.16Å; N138-G141 WeakPolarHBondContact OD1-CA 3.12Å; N138-G141 PolarHBondContact OD1-N 2.81Å
142N94.6Very high94.9Very high71 Ų7129.8 Ų29.838%0.3815%0.15SC..SBendtrans-106.7-12176.470.2-49.2000113.6N138 F140 I158N138-N142 PolarHBondContact ND2-OD1 3.49Å; N138-N142 PolarHBondContact OD1-N 2.87Å; N138-N142 PolarHBondContact OD1-OD1 2.84Å; F140-N142 VanDerWaalsContact C-N 3.28Å; F140-N142 WeakPolarHBondContact CB-OD1 3.42Å; F140-N142 PolarHBondContact O-N 2.78Å; N142-I158 PolarHBondContact O-N 2.97Å
143V95.9Very high95.2Very high16 Ų1626.3 Ų26.310%0.09713%0.134CC..EExtended strand (participates in β ladder)trans-126.9138.3179179.20000109.9N138 L155 F156 L166 F183N138-V143 HydrophobicContact CB-CB 4.13Å; N138-V143 PolarHBondContact N-O 3.15Å; N138-V143 PolarHBondContact OD1-N 3.35Å; N138-V143 VanDerWaalsContact OD1-N 3.1Å; N138-V143 PolarHBondContact OD1-O 2.76Å; V143-L155 HydrophobicContact CG1-CB 3.94Å; V143-L155 HydrophobicContact CG1-CD2 4.34Å; V143-F156 CarbonylContact C-O 3.6Å; V143-F156 VanDerWaalsContact CA-O 3.28Å; V143-F156 WeakPolarHBondContact CA-O 3.38Å; V143-L166 HydrophobicContact CG1-CD1 4.22Å; V143-L166 HydrophobicContact CG2-CD1 3.8Å; V143-F183 HydrophobicContact CG1-CZ 4.34Å
144I96.7Very high95.2Very high3 Ų326.5 Ų26.52%0.01514%0.135CC..EExtended strand (participates in β ladder)trans-107.6125.3170.1-58.9171.8000107.9V105 L115 A135 C136 F137 V146 L155 F156V105-I144 HydrophobicContact CG2-CD1 4.41Å; V105-I144 HydrophobicContact CG2-CG2 4.19Å; L115-I144 HydrophobicContact CD1-CD1 4.33Å; A135-I144 HydrophobicContact CB-CG2 4.28Å; C136-I144 WeakPolarHBondContact O-CA 3.44Å; F137-I144 HydrophobicContact CD1-CG1 3.76Å; F137-I144 HydrophobicContact CE1-CD1 3.86Å; F137-I144 HydrophobicContact CE1-CG1 3.58Å; F137-I144 HydrophobicContact CZ-CD1 4.3Å; F137-I144 HydrophobicContact CZ-CG1 4.37Å; I144-V146 HydrophobicContact CG2-CG2 3.89Å; I144-L155 CarbonylContact O-C 3.56Å; I144-L155 WeakPolarHBondContact O-CA 3.12Å; I144-F156 PolarHBondContact N-O 3.14Å; I144-F156 PolarHBondContact O-N 2.84Å
145A97.6Very high95.3Very high0 Ų026.9 Ų26.90%014%0.136CC..EExtended strand (participates in β ladder)trans-88.2133.3165.500000108.9A135 C136 L153 C154 L155 V181 F183A135-A145 CarbonylContact C-O 3.57Å; A135-A145 WeakPolarHBondContact CA-O 3.41Å; C136-A145 PolarHBondContact N-O 2.66Å; C136-A145 PolarHBondContact O-N 3.3Å; A145-L153 HydrophobicContact CB-CD1 4.06Å; A145-C154 WeakPolarHBondContact CA-O 3.49Å; A145-L155 HydrophobicContact CB-CD2 3.75Å; A145-V181 HydrophobicContact CB-CG2 4.29Å; A145-F183 HydrophobicContact CB-CD2 4.25Å; A145-F183 HydrophobicContact CB-CE2 3.3Å; A145-F183 HydrophobicContact CB-CZ 3.65Å
146V97.1Very high95.2Very high0 Ų027.2 Ų27.20%014%0.136CC..EExtended strand (participates in β ladder)trans-127125.6173.2-171.60000108.6V113 I127 P133 A134 A135 I144 F148 L153 C154 F156V113-V146 HydrophobicContact CG1-CG2 4.34Å; V113-V146 HydrophobicContact CG2-CG1 3.72Å; V113-V146 HydrophobicContact CG2-CG2 4.31Å; I127-V146 HydrophobicContact CD1-CG2 4.28Å; P133-V146 HydrophobicContact CB-CG1 4.04Å; A134-V146 WeakPolarHBondContact O-CA 3.47Å; A135-V146 HydrophobicContact CB-CG2 4.22Å; I144-V146 HydrophobicContact CG2-CG2 3.89Å; V146-F148 HydrophobicContact CB-CD1 4.31Å; V146-F148 HydrophobicContact CG1-CD1 3.84Å; V146-L153 WeakPolarHBondContact O-CA 3.35Å; V146-C154 PolarHBondContact N-O 3.34Å; V146-C154 PolarHBondContact O-N 2.83Å; V146-F156 HydrophobicContact CB-CD2 4.37Å; V146-F156 HydrophobicContact CB-CE2 3.94Å; V146-F156 HydrophobicContact CG2-CD2 3.79Å; V146-F156 HydrophobicContact CG2-CE2 3.76Å
147V96.7Very high95.1Very high2 Ų229.4 Ų29.41%0.01215%0.148CC..EExtended strand (participates in β ladder)trans-104.8130.3170.263.50000109.5P133 A134 Q152 L153 L171 W178 V181 L192P133-V147 VanDerWaalsContact CA-O 3.27Å; P133-V147 WeakPolarHBondContact CA-O 3.42Å; A134-V147 HydrophobicContact CB-CG1 3.74Å; A134-V147 PolarHBondContact N-O 3.32Å; A134-V147 PolarHBondContact O-N 3.06Å; V147-Q152 CarbonylContact C-O 3.6Å; V147-Q152 VanDerWaalsContact CA-O 3.25Å; V147-Q152 WeakPolarHBondContact CA-O 3.4Å; V147-Q152 WeakPolarHBondContact CG2-O 3.14Å; V147-L153 HydrophobicContact CB-CD1 4.41Å; V147-L171 HydrophobicContact CG2-CD1 3.74Å; V147-W178 HydrophobicContact CG1-CB 3.79Å; V147-W178 HydrophobicContact CG1-CG 4.38Å; V147-W178 HydrophobicContact CG2-CB 3.9Å; V147-W178 HydrophobicContact CG2-CD2 4.43Å; V147-W178 HydrophobicContact CG2-CG 3.58Å; V147-V181 HydrophobicContact CG1-CB 3.89Å; V147-V181 HydrophobicContact CG1-CG1 4.06Å; V147-L192 HydrophobicContact CB-CD2 3.93Å; V147-L192 HydrophobicContact CG1-CD2 3.97Å; V147-L192 HydrophobicContact CG2-CD2 3.95Å
148F91.8Very high94.8Very high24 Ų2430.1 Ų30.111%0.10515%0.152CC..EExtended strand (participates in β ladder)trans-157.7-178.6-175.763.1-82.6000110.8A129 V130 P133 V146 M150 Q151 Q152 C154A129-F148 HydrophobicContact CB-CB 3.88Å; A129-F148 HydrophobicContact CB-CD2 4.35Å; A129-F148 HydrophobicContact CB-CG 4.03Å; V130-F148 WeakPolarHBondContact O-CB 3.42Å; P133-F148 HydrophobicContact CB-CB 4.33Å; V146-F148 HydrophobicContact CB-CD1 4.31Å; V146-F148 HydrophobicContact CG1-CD1 3.84Å; F148-M150 PolarHBondContact O-N 2.87Å; F148-M150 VanDerWaalsContact O-N 3.07Å; F148-Q151 PolarHBondContact O-N 2.79Å; F148-Q152 HydrophobicContact CZ-CB 4.47Å; F148-Q152 PolarHBondContact N-O 2.89Å; F148-Q152 PolarHBondContact O-N 3.08Å; F148-C154 HydrophobicContact CE1-CB 3.86Å; F148-C154 WeakPolarHBondContact CE1-SG 3.47Å; F148-C154 HydrophobicContact CZ-CB 4.43Å; F148-C154 VanDerWaalsContact CZ-SG 3.56Å
149N85.8Confident94.5Very high44 Ų4440.5 Ų40.524%0.23519%0.19CC..THydrogen-bonded Turntrans55.925.8179.6-74.3-23.4000114.4V130 Q151 Q152V130-N149 WeakPolarHBondContact CB-OD1 3.34Å; V130-N149 VanDerWaalsContact CG2-OD1 3.26Å; V130-N149 WeakPolarHBondContact CG2-OD1 3.29Å; V130-N149 PolarHBondContact O-N 2.87Å; N149-Q151 PolarHBondContact O-N 2.75Å; N149-Q152 HydrophobicContact CB-CB 4.32Å; N149-Q152 HydrophobicContact CB-CG 4.21Å; N149-Q152 PolarHBondContact ND2-OE1 3.2Å
150M90.4Very high94.2Very high46 Ų4640 Ų4023%0.22719%0.189CC..THydrogen-bonded Turntrans62.6-14.7-175.1-53.3-54.7-172.800116.3H131 F148 R173 Q174 P175 G177 W178H131-M150 HydrophobicContact CB-CE 4.01Å; H131-M150 HydrophobicContact CB-SD 4.47Å; F148-M150 PolarHBondContact O-N 2.87Å; F148-M150 VanDerWaalsContact O-N 3.07Å; M150-R173 HydrophobicContact CB-CG 4.49Å; M150-Q174 VanDerWaalsContact CB-O 3.29Å; M150-Q174 WeakPolarHBondContact CB-O 3.5Å; M150-Q174 PolarHBondContact O-N 2.83Å; M150-Q174 VanDerWaalsContact SD-O 3.35Å; M150-P175 WeakPolarHBondContact CE-O 3.43Å; M150-G177 WeakPolarHBondContact SD-CA 3.24Å; M150-G177 PolarHBondContact SD-N 3.12Å; M150-W178 PolarHBondContact O-NE1 2.82Å; M150-W178 VanDerWaalsContact O-NE1 3.12Å
151Q94.3Very high93.6Very high73 Ų7336.8 Ų36.834%0.34117%0.174SC..THydrogen-bonded Turntrans-153.77.9-168.275.1-178.8-2.700114.8F148 N149 L171 R173F148-Q151 PolarHBondContact O-N 2.79Å; N149-Q151 PolarHBondContact O-N 2.75Å; Q151-L171 WeakPolarHBondContact O-CB 3.49Å; Q151-L171 PolarHBondContact O-N 3.3Å; Q151-R173 HydrophobicContact CB-CB 4.28Å
152Q95.2Very high93Very high60 Ų6041.2 Ų41.228%0.2820%0.204SC..EExtended strand (participates in β ladder)trans-115.9131.5-179.2-69.4-175.9-13.100111.1V147 F148 N149V147-Q152 CarbonylContact C-O 3.6Å; V147-Q152 VanDerWaalsContact CA-O 3.25Å; V147-Q152 WeakPolarHBondContact CA-O 3.4Å; V147-Q152 WeakPolarHBondContact CG2-O 3.14Å; F148-Q152 HydrophobicContact CZ-CB 4.47Å; F148-Q152 PolarHBondContact N-O 2.89Å; F148-Q152 PolarHBondContact O-N 3.08Å; N149-Q152 HydrophobicContact CB-CB 4.32Å; N149-Q152 HydrophobicContact CB-CG 4.21Å; N149-Q152 PolarHBondContact ND2-OE1 3.2Å
153L97.1Very high91.9Very high0 Ų043.2 Ų43.20%022%0.215CC..EExtended strand (participates in β ladder)trans-113.2118.8167.6173.764.3000108.3A145 V146 V147 S168 Y169 L171 V181 V190 L204A145-L153 HydrophobicContact CB-CD1 4.06Å; V146-L153 WeakPolarHBondContact O-CA 3.35Å; V147-L153 HydrophobicContact CB-CD1 4.41Å; L153-S168 CarbonylContact O-C 3.58Å; L153-S168 WeakPolarHBondContact O-CA 3.46Å; L153-Y169 HydrophobicContact CB-CD2 4.46Å; L153-Y169 HydrophobicContact CD2-CD2 4.03Å; L153-Y169 HydrophobicContact CG-CD2 4.18Å; L153-Y169 PolarHBondContact N-O 3.41Å; L153-Y169 PolarHBondContact O-N 3.21Å; L153-L171 HydrophobicContact CB-CD1 3.84Å; L153-L171 HydrophobicContact CB-CD2 4.22Å; L153-L171 HydrophobicContact CB-CG 4.06Å; L153-V181 HydrophobicContact CD1-CG2 4.26Å; L153-V190 HydrophobicContact CD2-CB 4.39Å; L153-V190 HydrophobicContact CD2-CG1 4.22Å; L153-L204 HydrophobicContact CD2-CD2 4.25Å
154C96.4Very high91.3Very high5 Ų549 Ų493%0.03425%0.245CC..EExtended strand (participates in β ladder)trans-114.8147.6174-620000111.2A145 V146 F148 F156 T165 A167 S168A145-C154 WeakPolarHBondContact CA-O 3.49Å; V146-C154 PolarHBondContact N-O 3.34Å; V146-C154 PolarHBondContact O-N 2.83Å; F148-C154 HydrophobicContact CE1-CB 3.86Å; F148-C154 WeakPolarHBondContact CE1-SG 3.47Å; F148-C154 HydrophobicContact CZ-CB 4.43Å; F148-C154 VanDerWaalsContact CZ-SG 3.56Å; C154-F156 HydrophobicContact CB-CD2 4.31Å; C154-F156 HydrophobicContact CB-CE2 3.53Å; C154-F156 HydrophobicContact CB-CZ 3.92Å; C154-T165 HydrophobicContact CB-CG2 3.68Å; C154-A167 WeakPolarHBondContact CA-O 3.19Å; C154-S168 PolarHBondContact SG-OG 3Å; C154-S168 VanDerWaalsContact SG-OG 3.41Å
155L96.9Very high91.1Very high16 Ų1651.7 Ų51.78%0.08426%0.262CS..EExtended strand (participates in β ladder)trans-108.7134.7172.2-57.5-174000109V143 I144 A145 T165 L166 A167 Y169 F183 L204V143-L155 HydrophobicContact CG1-CB 3.94Å; V143-L155 HydrophobicContact CG1-CD2 4.34Å; I144-L155 CarbonylContact O-C 3.56Å; I144-L155 WeakPolarHBondContact O-CA 3.12Å; A145-L155 HydrophobicContact CB-CD2 3.75Å; L155-T165 CarbonylContact O-C 3.56Å; L155-T165 WeakPolarHBondContact O-CA 3.19Å; L155-L166 HydrophobicContact CB-CB 4.16Å; L155-L166 PolarHBondContact O-N 2.92Å; L155-A167 HydrophobicContact CB-CB 4.47Å; L155-A167 HydrophobicContact CD1-CB 4.23Å; L155-A167 HydrophobicContact CG-CB 4.42Å; L155-A167 PolarHBondContact N-O 3.3Å; L155-Y169 HydrophobicContact CD1-CE2 4.11Å; L155-Y169 HydrophobicContact CG-CE2 4.22Å; L155-F183 HydrophobicContact CD2-CZ 4.05Å; L155-L204 HydrophobicContact CD1-CD2 4.28Å; L155-L204 HydrophobicContact CD2-CD2 4.36Å
156F96.1Very high91Very high17 Ų1756.4 Ų56.48%0.07529%0.286CS..EExtended strand (participates in β ladder)trans-123.3136.9179.7-63.7-93.3000110.3I127 V143 I144 V146 C154 T165I127-F156 HydrophobicContact CD1-CB 4.17Å; I127-F156 HydrophobicContact CD1-CD1 4.18Å; I127-F156 HydrophobicContact CD1-CD2 3.97Å; I127-F156 HydrophobicContact CD1-CE2 4.38Å; I127-F156 HydrophobicContact CD1-CG 3.85Å; I127-F156 HydrophobicContact CG2-CE1 4.03Å; I127-F156 HydrophobicContact CG2-CE2 4.07Å; I127-F156 HydrophobicContact CG2-CZ 3.7Å; V143-F156 CarbonylContact C-O 3.6Å; V143-F156 VanDerWaalsContact CA-O 3.28Å; V143-F156 WeakPolarHBondContact CA-O 3.38Å; I144-F156 PolarHBondContact N-O 3.14Å; I144-F156 PolarHBondContact O-N 2.84Å; V146-F156 HydrophobicContact CB-CD2 4.37Å; V146-F156 HydrophobicContact CB-CE2 3.94Å; V146-F156 HydrophobicContact CG2-CD2 3.79Å; V146-F156 HydrophobicContact CG2-CE2 3.76Å; C154-F156 HydrophobicContact CB-CD2 4.31Å; C154-F156 HydrophobicContact CB-CE2 3.53Å; C154-F156 HydrophobicContact CB-CZ 3.92Å; F156-T165 HydrophobicContact CD1-CG2 4.11Å; F156-T165 HydrophobicContact CE1-CG2 3.5Å; F156-T165 VanDerWaalsContact CE1-CG2 3.5Å; F156-T165 HydrophobicContact CE2-CG2 4.25Å; F156-T165 HydrophobicContact CZ-CG2 3.58Å
157D94.6Very high90.9Very high47 Ų4757.5 Ų57.525%0.25130%0.296SS..EExtended strand (participates in β ladder)trans-73.1130167.5-167.9-58.2000108.8R159 A160 Y161 L166D157-R159 PolarHBondContact O-N 2.81Å; D157-R159 VanDerWaalsContact O-N 3.12Å; D157-R159 WeakPolarHBondContact OD1-CB 3.39Å; D157-R159 PolarHBondContact OD1-N 2.94Å; D157-A160 HydrophobicContact CB-CB 4.29Å; D157-A160 CarbonylContact O-C 3.59Å; D157-A160 PolarHBondContact O-N 3.47Å; D157-A160 VanDerWaalsContact O-N 3.09Å; D157-Y161 WeakPolarHBondContact O-CA 3.21Å; D157-Y161 PolarHBondContact O-N 2.97Å; D157-L166 HydrophobicContact CB-CD1 3.9Å; D157-L166 HydrophobicContact CB-CD2 4.1Å; D157-L166 HydrophobicContact CB-CG 4.05Å
158I92.1Very high90.8Very high24 Ų2460.6 Ų60.612%0.12332%0.317CS..THydrogen-bonded Turntrans-59.7-24.2-179.9-163175.9000113.3L103 L115 F137 N142 Y161L103-I158 HydrophobicContact CD1-CD1 3.4Å; L115-I158 HydrophobicContact CD1-CD1 4.35Å; L115-I158 HydrophobicContact CD2-CD1 4.19Å; L115-I158 HydrophobicContact CD2-CG1 3.66Å; F137-I158 HydrophobicContact CE1-CD1 3.71Å; F137-I158 HydrophobicContact CE1-CG1 4.48Å; F137-I158 HydrophobicContact CZ-CD1 4.4Å; N142-I158 PolarHBondContact O-N 2.97Å; I158-Y161 WeakPolarHBondContact O-CD1 3.49Å
159R90.6Very high91.1Very high231 Ų23161.2 Ų61.287%0.87232%0.319SS*.THydrogen-bonded Turntrans-93.2-14.2-180-57.2179.1178.5176.9-0.9113.4D157D157-R159 PolarHBondContact O-N 2.81Å; D157-R159 VanDerWaalsContact O-N 3.12Å; D157-R159 WeakPolarHBondContact OD1-CB 3.39Å; D157-R159 PolarHBondContact OD1-N 2.94Å
160A89.4Confident91.5Very high31 Ų3165.6 Ų65.626%0.25634%0.341SS..THydrogen-bonded Turntrans-142.329.8-172.300000113.2D157 S162 N163D157-A160 HydrophobicContact CB-CB 4.29Å; D157-A160 CarbonylContact O-C 3.59Å; D157-A160 PolarHBondContact O-N 3.47Å; D157-A160 VanDerWaalsContact O-N 3.09Å; A160-S162 PolarHBondContact O-N 2.74Å; A160-S162 VanDerWaalsContact O-N 3.09Å; A160-N163 PolarHBondContact O-N 3.14Å
161Y82.6Confident91.8Very high61 Ų6163.7 Ų63.724%0.23933%0.332CS..THydrogen-bonded Turntrans-59.6-22.9-176.256.8-95.1000113.7V124 G125 I127 D157 I158V124-Y161 PolarHBondContact O-OH 2.91Å; G125-Y161 VanDerWaalsContact CA-CZ 3.4Å; G125-Y161 WeakPolarHBondContact CA-OH 3.34Å; I127-Y161 HydrophobicContact CG1-CD2 4.18Å; I127-Y161 HydrophobicContact CG1-CG 4.44Å; D157-Y161 WeakPolarHBondContact O-CA 3.21Å; D157-Y161 PolarHBondContact O-N 2.97Å; I158-Y161 WeakPolarHBondContact O-CD1 3.49Å
162S80.5Confident91.8Very high94 Ų9462.7 Ų62.766%0.65733%0.332SS*.THydrogen-bonded Turntrans-80.2-20.3177.557.50000114.2A160A160-S162 PolarHBondContact O-N 2.74Å; A160-S162 VanDerWaalsContact O-N 3.09Å
163N72.6Confident91.7Very high114 Ų11468.5 Ų68.561%0.6135%0.351SS*.THydrogen-bonded Turntrans-90.3-39.2-163.8-70.2-9.2000112.9A160A160-N163 PolarHBondContact O-N 3.14Å
164N83.3Confident91.5Very high138 Ų13869.9 Ų69.974%0.73836%0.358SS*.  trans-177.1164.1173.3-87.8-38.3000109.3
165T92.5Very high91.1Very high58 Ų5874 Ų7436%0.35638%0.384SS..  trans-72.4142167.354.70000110.1C154 L155 F156 A167C154-T165 HydrophobicContact CB-CG2 3.68Å; L155-T165 CarbonylContact O-C 3.56Å; L155-T165 WeakPolarHBondContact O-CA 3.19Å; F156-T165 HydrophobicContact CD1-CG2 4.11Å; F156-T165 HydrophobicContact CE1-CG2 3.5Å; F156-T165 VanDerWaalsContact CE1-CG2 3.5Å; F156-T165 HydrophobicContact CE2-CG2 4.25Å; F156-T165 HydrophobicContact CZ-CG2 3.58Å; T165-A167 VanDerWaalsContact C-N 3.29Å
166L94.7Very high90.6Very high99 Ų9977.8 Ų77.852%0.51840%0.404SS..SBendtrans-66.1-37.2170-71175.7000111.1V143 L155 D157V143-L166 HydrophobicContact CG1-CD1 4.22Å; V143-L166 HydrophobicContact CG2-CD1 3.8Å; L155-L166 HydrophobicContact CB-CB 4.16Å; L155-L166 PolarHBondContact O-N 2.92Å; D157-L166 HydrophobicContact CB-CD1 3.9Å; D157-L166 HydrophobicContact CB-CD2 4.1Å; D157-L166 HydrophobicContact CB-CG 4.05Å
167A95.4Very high90.4Very high24 Ų2477.1 Ų77.120%0.19840%0.403CS..EExtended strand (participates in β ladder)trans-157.9157174.300000110.1C154 L155 T165 Y169C154-A167 WeakPolarHBondContact CA-O 3.19Å; L155-A167 HydrophobicContact CB-CB 4.47Å; L155-A167 HydrophobicContact CD1-CB 4.23Å; L155-A167 HydrophobicContact CG-CB 4.42Å; L155-A167 PolarHBondContact N-O 3.3Å; T165-A167 VanDerWaalsContact C-N 3.29Å; A167-Y169 HydrophobicContact CB-CE1 4.21Å; A167-Y169 HydrophobicContact CB-CE2 3.95Å; A167-Y169 WeakPolarHBondContact CB-OH 3.43Å
168S95.3Very high90.4Very high66 Ų6675.3 Ų75.346%0.46239%0.392SS..EExtended strand (participates in β ladder)trans-138.8133.8174.1-176.50000109.7L153 C154L153-S168 CarbonylContact O-C 3.58Å; L153-S168 WeakPolarHBondContact O-CA 3.46Å; C154-S168 PolarHBondContact SG-OG 3Å; C154-S168 VanDerWaalsContact SG-OG 3.41Å
169Y96.5Very high90.5Very high38 Ų3874.3 Ų74.315%0.14939%0.387CS..EExtended strand (participates in β ladder)trans-126.2142.3-178.8-47.7-66.9000110.4L153 L155 A167 L204L153-Y169 HydrophobicContact CB-CD2 4.46Å; L153-Y169 HydrophobicContact CD2-CD2 4.03Å; L153-Y169 HydrophobicContact CG-CD2 4.18Å; L153-Y169 PolarHBondContact N-O 3.41Å; L153-Y169 PolarHBondContact O-N 3.21Å; L155-Y169 HydrophobicContact CD1-CE2 4.11Å; L155-Y169 HydrophobicContact CG-CE2 4.22Å; A167-Y169 HydrophobicContact CB-CE1 4.21Å; A167-Y169 HydrophobicContact CB-CE2 3.95Å; A167-Y169 WeakPolarHBondContact CB-OH 3.43Å; Y169-L204 HydrophobicContact CE2-CD2 4.12Å; Y169-L204 VanDerWaalsContact CZ-O 3.23Å; Y169-L204 PolarHBondContact OH-O 2.84Å
170I96Very high90.8Very high135 Ų13563.5 Ų63.569%0.69235%0.348SS*.EExtended strand (participates in β ladder)trans-91.2123172.6-58174.3000107.9
171L96Very high91.2Very high7 Ų762.1 Ų62.14%0.03734%0.336CS..PPolyproline II helixtrans-99165.6178.2-58.2173.9000110.7V147 Q151 L153 R173 W178 L192 V202V147-L171 HydrophobicContact CG2-CD1 3.74Å; Q151-L171 WeakPolarHBondContact O-CB 3.49Å; Q151-L171 PolarHBondContact O-N 3.3Å; L153-L171 HydrophobicContact CB-CD1 3.84Å; L153-L171 HydrophobicContact CB-CD2 4.22Å; L153-L171 HydrophobicContact CB-CG 4.06Å; L171-R173 PolarHBondContact O-N 2.76Å; L171-W178 HydrophobicContact CB-CZ2 4.11Å; L171-W178 HydrophobicContact CD1-CZ2 4.14Å; L171-L192 HydrophobicContact CD1-CD1 3.49Å; L171-L192 VanDerWaalsContact CD1-CD1 3.49Å; L171-L192 HydrophobicContact CD1-CD2 4.44Å; L171-L192 HydrophobicContact CD2-CD1 3.67Å; L171-L192 HydrophobicContact CG-CD1 4.2Å; L171-V202 HydrophobicContact CD2-CG2 3.7Å
172P93.3Very high91.9Very high52 Ų5260.5 Ų60.534%0.33833%0.33SS..PPolyproline II helixtrans-58.4126.8166.3-2233.7000110.3Q174 W178 V209P172-Q174 PolarHBondContact O-N 2.75Å; P172-W178 WeakPolarHBondContact O-CZ2 3.29Å; P172-V209 HydrophobicContact CG-CG2 4.14Å
173R94.5Very high92.7Very high181 Ų18157.2 Ų57.268%0.68330%0.304SS*.PPolyproline II helixtrans-58.7125.3-179.8-175.9178.9175.7-172.8-0.6111.5M150 Q151 L171M150-R173 HydrophobicContact CB-CG 4.49Å; Q151-R173 HydrophobicContact CB-CB 4.28Å; L171-R173 PolarHBondContact O-N 2.76Å
174Q93.4Very high93.9Very high30 Ų3051.9 Ų51.914%0.1428%0.275CS..  trans-111.1108.1173.7-65-55.9-69.600109.9M150 P172 N176 G177 W178 S194M150-Q174 VanDerWaalsContact CB-O 3.29Å; M150-Q174 WeakPolarHBondContact CB-O 3.5Å; M150-Q174 PolarHBondContact O-N 2.83Å; M150-Q174 VanDerWaalsContact SD-O 3.35Å; P172-Q174 PolarHBondContact O-N 2.75Å; Q174-N176 PolarHBondContact O-N 2.5Å; Q174-N176 VanDerWaalsContact O-N 3.1Å; Q174-G177 PolarHBondContact O-N 2.93Å; Q174-W178 HydrophobicContact CB-CZ2 4.47Å; Q174-W178 HydrophobicContact CG-CD2 3.92Å; Q174-W178 VanDerWaalsContact CG-CE2 3.46Å; Q174-W178 HydrophobicContact CG-CE3 4.15Å; Q174-W178 HydrophobicContact CG-CH2 3.65Å; Q174-W178 HydrophobicContact CG-CZ2 3.35Å; Q174-W178 HydrophobicContact CG-CZ3 4.03Å; Q174-S194 VanDerWaalsContact OE1-CB 3.22Å; Q174-S194 PolarHBondContact OE1-OG 3.27Å; Q174-S194 VanDerWaalsContact OE1-OG 3.08Å
175P87Confident94.5Very high91 Ų9148 Ų4859%0.59126%0.258SS*.THydrogen-bonded Turntrans-55.4-32.4-173.8-28.235000115.1M150M150-P175 WeakPolarHBondContact CE-O 3.43Å
176N87.4Confident94.6Very high95 Ų9549 Ų4951%0.50826%0.261SS..THydrogen-bonded Turntrans-99.77.4-179.9-61.4-48.9000112.8Q174 Y195 M221Q174-N176 PolarHBondContact O-N 2.5Å; Q174-N176 VanDerWaalsContact O-N 3.1Å; N176-Y195 WeakPolarHBondContact O-CD2 3.18Å; N176-Y195 WeakPolarHBondContact O-CE2 3.45Å; N176-M221 HydrophobicContact CB-CE 3.8Å; N176-M221 WeakPolarHBondContact ND2-CE 3.42Å
177G90.5Very high94.7Very high4 Ų445.2 Ų45.24%0.04125%0.246CC..  trans83-176.517900000114.6M150 Q174 Y195M150-G177 WeakPolarHBondContact SD-CA 3.24Å; M150-G177 PolarHBondContact SD-N 3.12Å; Q174-G177 PolarHBondContact O-N 2.93Å; G177-Y195 PolarHBondContact O-N 2.83Å
178W95.2Very high94.8Very high9 Ų950.8 Ų50.83%0.03427%0.266CS..EExtended strand (participates in β ladder)trans-103124.1179-64.596.1000108.9V147 M150 L171 P172 Q174 L192 S193 L198 C200V147-W178 HydrophobicContact CG1-CB 3.79Å; V147-W178 HydrophobicContact CG1-CG 4.38Å; V147-W178 HydrophobicContact CG2-CB 3.9Å; V147-W178 HydrophobicContact CG2-CD2 4.43Å; V147-W178 HydrophobicContact CG2-CG 3.58Å; M150-W178 PolarHBondContact O-NE1 2.82Å; M150-W178 VanDerWaalsContact O-NE1 3.12Å; L171-W178 HydrophobicContact CB-CZ2 4.11Å; L171-W178 HydrophobicContact CD1-CZ2 4.14Å; P172-W178 WeakPolarHBondContact O-CZ2 3.29Å; Q174-W178 HydrophobicContact CB-CZ2 4.47Å; Q174-W178 HydrophobicContact CG-CD2 3.92Å; Q174-W178 VanDerWaalsContact CG-CE2 3.46Å; Q174-W178 HydrophobicContact CG-CE3 4.15Å; Q174-W178 HydrophobicContact CG-CH2 3.65Å; Q174-W178 HydrophobicContact CG-CZ2 3.35Å; Q174-W178 HydrophobicContact CG-CZ3 4.03Å; W178-L192 HydrophobicContact CD2-CB 4.2Å; W178-L192 HydrophobicContact CD2-CD2 4.41Å; W178-L192 HydrophobicContact CE3-CB 3.53Å; W178-L192 HydrophobicContact CE3-CG 4.45Å; W178-L192 HydrophobicContact CH2-CB 4.22Å; W178-L192 HydrophobicContact CH2-CD1 4.47Å; W178-L192 HydrophobicContact CZ3-CB 3.55Å; W178-S193 CarbonylContact C-O 3.57Å; W178-L198 HydrophobicContact CH2-CD2 3.98Å; W178-L198 HydrophobicContact CZ3-CD2 4.47Å; W178-C200 HydrophobicContact CH2-CB 3.95Å; W178-C200 HydrophobicContact CZ3-CB 4.26Å
179A94.5Very high94.9Very high2 Ų249.4 Ų49.42%0.01725%0.252CS..EExtended strand (participates in β ladder)trans-73.3-37.3-179.400000112S193 Y195 K223A179-S193 PolarHBondContact N-O 2.87Å; A179-Y195 HydrophobicContact CB-CD1 4.34Å; A179-Y195 HydrophobicContact CB-CD2 4.17Å; A179-Y195 HydrophobicContact CB-CE1 4.44Å; A179-Y195 HydrophobicContact CB-CE2 4.29Å; A179-Y195 HydrophobicContact CB-CG 4.23Å; A179-K223 HydrophobicContact CB-CG 3.95Å; A179-K223 WeakPolarHBondContact O-CE 3.43Å
180S95.8Very high95Very high5 Ų547.6 Ų47.64%0.03525%0.245CC..EExtended strand (participates in β ladder)trans-151.8159176.675.50000113.1L192 S193S180-L192 WeakPolarHBondContact O-CA 3.48Å; S180-S193 PolarHBondContact N-O 2.87Å; S180-S193 PolarHBondContact N-OG 2.98Å; S180-S193 PolarHBondContact O-N 2.96Å; S180-S193 PolarHBondContact OG-OG 2.87Å
181V97.8Very high95.1Very high2 Ų241.2 Ų41.21%0.01221%0.212CC..EExtended strand (participates in β ladder)trans-133.1132.4170.861.30000108.5A134 C136 A145 V147 L153 V190 L191 L192A134-V181 HydrophobicContact CB-CG1 4.06Å; A134-V181 WeakPolarHBondContact O-CG1 3.08Å; C136-V181 HydrophobicContact CB-CG1 4.36Å; C136-V181 WeakPolarHBondContact CB-O 3.37Å; C136-V181 PolarHBondContact SG-O 2.8Å; A145-V181 HydrophobicContact CB-CG2 4.29Å; V147-V181 HydrophobicContact CG1-CB 3.89Å; V147-V181 HydrophobicContact CG1-CG1 4.06Å; L153-V181 HydrophobicContact CD1-CG2 4.26Å; V181-V190 HydrophobicContact CG2-CG1 3.33Å; V181-L191 CarbonylContact C-O 3.59Å; V181-L191 WeakPolarHBondContact CA-O 3.43Å; V181-L192 HydrophobicContact CB-CD2 3.82Å; V181-L192 HydrophobicContact CG2-CD2 3.67Å
182K97.6Very high95.2Very high27 Ų2740.9 Ų40.912%0.11721%0.21CC..EExtended strand (participates in β ladder)trans-142.3133.4178.3-65.2-65.4170.6-176.80111.3D96 C136 V190 L191 F227D96-K182 IonicContact OD1-NZ 3.04Å; D96-K182 PolarHBondContact OD1-NZ 3.3Å; C136-K182 HydrophobicContact CB-CD 4.43Å; K182-V190 CarbonylContact O-C 3.57Å; K182-V190 WeakPolarHBondContact O-CA 3.35Å; K182-L191 PolarHBondContact N-O 3.19Å; K182-L191 PolarHBondContact O-N 3.1Å; K182-F227 HydrophobicContact CD-CD1 4.21Å; K182-F227 HydrophobicContact CD-CE1 4.04Å; K182-F227 HydrophobicContact CG-CD1 4.04Å; K182-F227 HydrophobicContact CG-CE1 4.19Å
183F97.9Very high95.4Very high24 Ų2438.4 Ų38.411%0.10519%0.194CC..EExtended strand (participates in β ladder)trans-71.6149.8171.6-80.3-97.7000111.9C136 F137 N138 P139 V143 A145 L155 F189 V190 L204 Y228C136-F183 WeakPolarHBondContact SG-CD2 3.32Å; F137-F183 WeakPolarHBondContact O-CD2 3.25Å; N138-F183 VanDerWaalsContact CA-CD2 3.49Å; N138-F183 HydrophobicContact CB-CD1 3.85Å; N138-F183 HydrophobicContact CB-CD2 4.02Å; N138-F183 HydrophobicContact CB-CE1 3.61Å; N138-F183 HydrophobicContact CB-CE2 3.82Å; N138-F183 HydrophobicContact CB-CG 4.04Å; N138-F183 HydrophobicContact CB-CZ 3.63Å; P139-F183 HydrophobicContact CG-CB 4.32Å; V143-F183 HydrophobicContact CG1-CZ 4.34Å; A145-F183 HydrophobicContact CB-CD2 4.25Å; A145-F183 HydrophobicContact CB-CE2 3.3Å; A145-F183 HydrophobicContact CB-CZ 3.65Å; L155-F183 HydrophobicContact CD2-CZ 4.05Å; F183-F189 WeakPolarHBondContact CA-O 3.35Å; F183-V190 HydrophobicContact CD1-CG2 3.83Å; F183-V190 HydrophobicContact CD2-CG2 4.27Å; F183-V190 HydrophobicContact CE1-CG2 4Å; F183-V190 HydrophobicContact CE2-CG2 4.4Å; F183-V190 HydrophobicContact CG-CG2 3.99Å; F183-V190 HydrophobicContact CZ-CG2 4.27Å; F183-L204 HydrophobicContact CD1-CD1 3.69Å; F183-L204 HydrophobicContact CE1-CD1 3.26Å; F183-L204 HydrophobicContact CZ-CD1 4.29Å; F183-Y228 WeakPolarHBondContact O-CD2 3.25Å
184S97.5Very high95.4Very high2 Ų229.9 Ų29.91%0.01416%0.162CC..  trans-68.2151.5163.961.80000110.9P139 N186 G187 K188 F189P139-S184 WeakPolarHBondContact CG-O 3.36Å; S184-N186 PolarHBondContact O-N 3.31Å; S184-N186 PolarHBondContact OG-OD1 2.79Å; S184-G187 PolarHBondContact O-N 2.91Å; S184-K188 PolarHBondContact OG-N 2.99Å; S184-F189 PolarHBondContact N-O 2.65Å; S184-F189 PolarHBondContact OG-N 3Å; S184-F189 PolarHBondContact OG-O 3.34Å
185P95.3Very high95.5Very high56 Ų5630.3 Ų30.336%0.36416%0.162SC..THydrogen-bonded Turntrans-56.4-28.2-179.5-28.235.2000114.6P139P139-P185 WeakPolarHBondContact CB-O 3.42Å; P139-P185 WeakPolarHBondContact CG-O 3.31Å
186N95.5Very high95.8Very high79 Ų7926.6 Ų26.642%0.42214%0.141SC..THydrogen-bonded Turntrans-87.3-0.6176.965.416.8000114.4S184 K188S184-N186 PolarHBondContact O-N 3.31Å; S184-N186 PolarHBondContact OG-OD1 2.79Å; N186-K188 PolarHBondContact O-N 2.85Å; N186-K188 WeakPolarHBondContact OD1-CB 3.38Å; N186-K188 PolarHBondContact OD1-N 2.82Å
187G96.4Very high96.2Very high20 Ų2028 Ų2821%0.20614%0.139CC..SBendtrans70.28.1178.200000115.9S184S184-G187 PolarHBondContact O-N 2.91Å
188K97.2Very high96.4Very high141 Ų14129 Ų2961%0.61314%0.143SC*.SBendtrans-89.4-22.1-176.4-66.3179.1-179.1176.50113.9S184 N186 L204S184-K188 PolarHBondContact OG-N 2.99Å; N186-K188 PolarHBondContact O-N 2.85Å; N186-K188 WeakPolarHBondContact OD1-CB 3.38Å; N186-K188 PolarHBondContact OD1-N 2.82Å; K188-L204 PolarHBondContact O-N 3Å
189F98.1Very high96.5Very high38 Ų3828.6 Ų28.617%0.16714%0.142CC..EExtended strand (participates in β ladder)trans-128.6160.2-176.4-53-94000111.2F183 S184 Q201 V202 V203 V210F183-F189 WeakPolarHBondContact CA-O 3.35Å; S184-F189 PolarHBondContact N-O 2.65Å; S184-F189 PolarHBondContact OG-N 3Å; S184-F189 PolarHBondContact OG-O 3.34Å; F189-Q201 HydrophobicContact CB-CG 4.07Å; F189-Q201 VanDerWaalsContact CB-NE2 3.34Å; F189-Q201 HydrophobicContact CD1-CG 3.97Å; F189-Q201 HydrophobicContact CG-CG 4.33Å; F189-V202 CarbonylContact C-O 3.49Å; F189-V202 WeakPolarHBondContact CA-O 2.92Å; F189-V203 HydrophobicContact CD1-CB 4.48Å; F189-V203 HydrophobicContact CD1-CG2 3.71Å; F189-V203 HydrophobicContact CE1-CG2 3.44Å; F189-V203 VanDerWaalsContact CE1-CG2 3.44Å; F189-V210 HydrophobicContact CD1-CG2 4.46Å; F189-V210 HydrophobicContact CE1-CG2 4.39Å
190V98Very high96.7Very high0 Ų028.5 Ų28.50%014%0.141CC..EExtended strand (participates in β ladder)trans-123.4136.6163.8161.70000108.7L153 V181 K182 F183 L192 Q201 V202 L204L153-V190 HydrophobicContact CD2-CB 4.39Å; L153-V190 HydrophobicContact CD2-CG1 4.22Å; V181-V190 HydrophobicContact CG2-CG1 3.33Å; K182-V190 CarbonylContact O-C 3.57Å; K182-V190 WeakPolarHBondContact O-CA 3.35Å; F183-V190 HydrophobicContact CD1-CG2 3.83Å; F183-V190 HydrophobicContact CD2-CG2 4.27Å; F183-V190 HydrophobicContact CE1-CG2 4Å; F183-V190 HydrophobicContact CE2-CG2 4.4Å; F183-V190 HydrophobicContact CG-CG2 3.99Å; F183-V190 HydrophobicContact CZ-CG2 4.27Å; V190-L192 HydrophobicContact CG1-CD2 4.33Å; V190-L192 HydrophobicContact CG1-CG 4.06Å; V190-Q201 WeakPolarHBondContact O-CA 3.33Å; V190-V202 PolarHBondContact N-O 2.74Å; V190-V202 PolarHBondContact O-N 3Å; V190-L204 HydrophobicContact CB-CD2 4.14Å; V190-L204 HydrophobicContact CG2-CD1 3.97Å; V190-L204 HydrophobicContact CG2-CD2 3.72Å; V190-L204 HydrophobicContact CG2-CG 4.1Å
191L98.3Very high96.8Very high1 Ų128.3 Ų28.31%0.00514%0.14CC..EExtended strand (participates in β ladder)trans-100130.8169179.864.4000108.7V181 K182 L199 C200 A226 Y228 L235V181-L191 CarbonylContact C-O 3.59Å; V181-L191 WeakPolarHBondContact CA-O 3.43Å; K182-L191 PolarHBondContact N-O 3.19Å; K182-L191 PolarHBondContact O-N 3.1Å; L191-L199 HydrophobicContact CD1-CB 4.27Å; L191-C200 WeakPolarHBondContact CA-O 3.24Å; L191-A226 HydrophobicContact CD2-CB 3.62Å; L191-A226 HydrophobicContact CG-CB 4.15Å; L191-Y228 HydrophobicContact CB-CD2 4.24Å; L191-Y228 HydrophobicContact CB-CE2 3.38Å; L191-Y228 HydrophobicContact CD2-CD2 4.49Å; L191-Y228 HydrophobicContact CD2-CE2 4.3Å; L191-Y228 HydrophobicContact CG-CE2 4.48Å; L191-L235 HydrophobicContact CD1-CD1 4.16Å; L191-L235 HydrophobicContact CD1-CD2 4.3Å; L191-L235 HydrophobicContact CD2-CB 4.41Å; L191-L235 HydrophobicContact CD2-CD2 4.08Å
192L98Very high96.8Very high0 Ų028.2 Ų28.20%014%0.139CC..EExtended strand (participates in β ladder)trans-117.5136176.5-66.7156000108.6V147 L171 W178 S180 V181 V190 L199 C200 V202V147-L192 HydrophobicContact CB-CD2 3.93Å; V147-L192 HydrophobicContact CG1-CD2 3.97Å; V147-L192 HydrophobicContact CG2-CD2 3.95Å; L171-L192 HydrophobicContact CD1-CD1 3.49Å; L171-L192 VanDerWaalsContact CD1-CD1 3.49Å; L171-L192 HydrophobicContact CD1-CD2 4.44Å; L171-L192 HydrophobicContact CD2-CD1 3.67Å; L171-L192 HydrophobicContact CG-CD1 4.2Å; W178-L192 HydrophobicContact CD2-CB 4.2Å; W178-L192 HydrophobicContact CD2-CD2 4.41Å; W178-L192 HydrophobicContact CE3-CB 3.53Å; W178-L192 HydrophobicContact CE3-CG 4.45Å; W178-L192 HydrophobicContact CH2-CB 4.22Å; W178-L192 HydrophobicContact CH2-CD1 4.47Å; W178-L192 HydrophobicContact CZ3-CB 3.55Å; S180-L192 WeakPolarHBondContact O-CA 3.48Å; V181-L192 HydrophobicContact CB-CD2 3.82Å; V181-L192 HydrophobicContact CG2-CD2 3.67Å; V190-L192 HydrophobicContact CG1-CD2 4.33Å; V190-L192 HydrophobicContact CG1-CG 4.06Å; L192-L199 CarbonylContact O-C 3.56Å; L192-L199 VanDerWaalsContact O-CA 3.22Å; L192-L199 WeakPolarHBondContact O-CA 3.33Å; L192-C200 HydrophobicContact CB-CB 4.34Å; L192-C200 HydrophobicContact CD1-CB 4.44Å; L192-C200 PolarHBondContact N-O 3.39Å; L192-C200 PolarHBondContact O-N 2.54Å; L192-V202 HydrophobicContact CD1-CG2 3.87Å
193S96.9Very high96.8Very high0 Ų028.4 Ų28.40%014%0.142CC..EExtended strand (participates in β ladder)trans-113.7128.4167.967.80000109.4W178 A179 S180 L224W178-S193 CarbonylContact C-O 3.57Å; A179-S193 PolarHBondContact N-O 2.87Å; S180-S193 PolarHBondContact N-O 2.87Å; S180-S193 PolarHBondContact N-OG 2.98Å; S180-S193 PolarHBondContact O-N 2.96Å; S180-S193 PolarHBondContact OG-OG 2.87Å; S193-L224 WeakPolarHBondContact CB-O 3.4Å; S193-L224 PolarHBondContact OG-O 3.03Å
194S95.7Very high96.7Very high1 Ų128.1 Ų28.11%0.00714%0.142CC..EExtended strand (participates in β ladder)trans-82.9166.3171.880.40000110.7Q174 G196 L198 R216Q174-S194 VanDerWaalsContact OE1-CB 3.22Å; Q174-S194 PolarHBondContact OE1-OG 3.27Å; Q174-S194 VanDerWaalsContact OE1-OG 3.08Å; S194-G196 PolarHBondContact O-N 3.26Å; S194-G196 PolarHBondContact OG-N 3.04Å; S194-G196 VanDerWaalsContact OG-N 3.13Å; S194-L198 PolarHBondContact N-O 3.24Å; S194-L198 PolarHBondContact OG-O 3.06Å; S194-R216 PolarHBondContact O-NH2 3.36Å
195Y94.6Very high96.6Very high39 Ų3939.3 Ų39.315%0.15318%0.184CC..SBendtrans-64-19.2167.8-77.9-87.6000112N176 G177 A179 N218 M221 K223N176-Y195 WeakPolarHBondContact O-CD2 3.18Å; N176-Y195 WeakPolarHBondContact O-CE2 3.45Å; G177-Y195 PolarHBondContact O-N 2.83Å; A179-Y195 HydrophobicContact CB-CD1 4.34Å; A179-Y195 HydrophobicContact CB-CD2 4.17Å; A179-Y195 HydrophobicContact CB-CE1 4.44Å; A179-Y195 HydrophobicContact CB-CE2 4.29Å; A179-Y195 HydrophobicContact CB-CG 4.23Å; Y195-N218 PolarHBondContact O-ND2 3.22Å; Y195-M221 WeakPolarHBondContact CD1-O 3.42Å; Y195-M221 CarbonylContact O-C 3.48Å; Y195-M221 WeakPolarHBondContact O-CA 3.44Å; Y195-M221 WeakPolarHBondContact O-CE 3.37Å; Y195-K223 HydrophobicContact CD1-CB 4.35Å; Y195-K223 HydrophobicContact CE1-CB 3.79Å; Y195-K223 HydrophobicContact CE1-CG 4.04Å
196G93.9Very high96.7Very high13 Ų1340.2 Ų40.213%0.13419%0.188CC..SBendtrans-85.7-149.3172.400000112.3S194 R216 N218S194-G196 PolarHBondContact O-N 3.26Å; S194-G196 PolarHBondContact OG-N 3.04Å; S194-G196 VanDerWaalsContact OG-N 3.13Å; G196-R216 PolarHBondContact O-NH2 3.16Å; G196-N218 PolarHBondContact O-ND2 2.92Å
197R94.9Very high96.7Very high125 Ų12537 Ų3747%0.47217%0.174SC..SBendtrans-81.9-19.3178.7-63.7-173.7-68.4143.3-6.9114.1L199 T214 R216 N218R197-L199 PolarHBondContact O-N 3.3Å; R197-T214 PolarHBondContact NH1-O 2.89Å; R197-R216 VanDerWaalsContact CD-O 3.32Å; R197-R216 WeakPolarHBondContact CD-O 3.49Å; R197-R216 VanDerWaalsContact CG-O 3.3Å; R197-R216 WeakPolarHBondContact CG-O 3.46Å; R197-R216 VanDerWaalsContact O-CG 3.3Å; R197-R216 WeakPolarHBondContact O-CG 3.45Å; R197-R216 PolarHBondContact O-NE 2.77Å; R197-N218 HydrophobicContact CG-CB 4.42Å
198L96.2Very high96.7Very high24 Ų2442 Ų4213%0.12619%0.192CC..  trans-70.6127.6-169.3-177.365.5000112W178 S194 C200 I213 T214W178-L198 HydrophobicContact CH2-CD2 3.98Å; W178-L198 HydrophobicContact CZ3-CD2 4.47Å; S194-L198 PolarHBondContact N-O 3.24Å; S194-L198 PolarHBondContact OG-O 3.06Å; L198-C200 VanDerWaalsContact CD2-SG 3.6Å; L198-I213 CarbonylContact C-O 3.5Å; L198-I213 WeakPolarHBondContact CA-O 3.4Å; L198-T214 HydrophobicContact CD1-CG2 3.93Å
199L97.5Very high96.7Very high1 Ų137.7 Ų37.71%0.00518%0.177CC..EExtended strand (participates in β ladder)trans-108.6138155.9-49.8178.5000109.2L191 L192 R197 S212 I213 R216 A226 T237L191-L199 HydrophobicContact CD1-CB 4.27Å; L192-L199 CarbonylContact O-C 3.56Å; L192-L199 VanDerWaalsContact O-CA 3.22Å; L192-L199 WeakPolarHBondContact O-CA 3.33Å; R197-L199 PolarHBondContact O-N 3.3Å; L199-S212 CarbonylContact O-C 3.55Å; L199-S212 WeakPolarHBondContact O-CA 3.04Å; L199-I213 HydrophobicContact CB-CB 4.15Å; L199-I213 PolarHBondContact N-O 3.03Å; L199-I213 PolarHBondContact O-N 3.31Å; L199-R216 VanDerWaalsContact CD2-CZ 3.42Å; L199-A226 HydrophobicContact CD1-CB 4.14Å; L199-A226 HydrophobicContact CD2-CB 3.74Å; L199-T237 HydrophobicContact CD1-CG2 3.96Å
200C96.9Very high96.7Very high0 Ų038.7 Ų38.70%019%0.187CC..EExtended strand (participates in β ladder)trans-121.9131.9174.4-79.10000110.5W178 L191 L192 L198 V209 H211W178-C200 HydrophobicContact CH2-CB 3.95Å; W178-C200 HydrophobicContact CZ3-CB 4.26Å; L191-C200 WeakPolarHBondContact CA-O 3.24Å; L192-C200 HydrophobicContact CB-CB 4.34Å; L192-C200 HydrophobicContact CD1-CB 4.44Å; L192-C200 PolarHBondContact N-O 3.39Å; L192-C200 PolarHBondContact O-N 2.54Å; L198-C200 VanDerWaalsContact CD2-SG 3.6Å; C200-V209 HydrophobicContact CB-CG1 4.21Å; C200-H211 WeakPolarHBondContact CA-O 3.47Å
201Q98Very high96.6Very high2 Ų240.6 Ų40.61%0.00920%0.195CC..EExtended strand (participates in β ladder)trans-102.7127.3166.5-173.4172.624.300110F189 V190 V209 V210 H211 Y228 Q249F189-Q201 HydrophobicContact CB-CG 4.07Å; F189-Q201 VanDerWaalsContact CB-NE2 3.34Å; F189-Q201 HydrophobicContact CD1-CG 3.97Å; F189-Q201 HydrophobicContact CG-CG 4.33Å; V190-Q201 WeakPolarHBondContact O-CA 3.33Å; Q201-V209 CarbonylContact O-C 3.57Å; Q201-V209 WeakPolarHBondContact O-CA 3.23Å; Q201-V210 HydrophobicContact CB-CG2 4.07Å; Q201-V210 HydrophobicContact CG-CG2 3.94Å; Q201-V210 WeakPolarHBondContact O-CG2 3.42Å; Q201-V210 PolarHBondContact O-N 3.06Å; Q201-H211 HydrophobicContact CB-CB 4.18Å; Q201-H211 PolarHBondContact N-O 3.15Å; Q201-H211 PolarHBondContact OE1-CD2 3.35Å; Q201-H211 VanDerWaalsContact OE1-CD2 3.27Å; Q201-Y228 WeakPolarHBondContact CG-OH 3.2Å; Q201-Y228 PolarHBondContact NE2-OH 3.05Å; Q201-Q249 VanDerWaalsContact CD-NE2 3.35Å; Q201-Q249 PolarHBondContact OE1-O 2.85Å
202V98.1Very high96.5Very high0 Ų044 Ų440%022%0.219CC..EExtended strand (participates in β ladder)trans-114.2130.9-178-1760000109.9L171 F189 V190 L192 L204 Q208 V209L171-V202 HydrophobicContact CD2-CG2 3.7Å; F189-V202 CarbonylContact C-O 3.49Å; F189-V202 WeakPolarHBondContact CA-O 2.92Å; V190-V202 PolarHBondContact N-O 2.74Å; V190-V202 PolarHBondContact O-N 3Å; L192-V202 HydrophobicContact CD1-CG2 3.87Å; V202-L204 PolarHBondContact O-N 2.7Å; V202-Q208 CarbonylContact C-O 3.53Å; V202-Q208 WeakPolarHBondContact CA-O 3.46Å; V202-V209 HydrophobicContact CG2-CG2 4.23Å
203V97.6Very high96.5Very high31 Ų3144.3 Ų44.319%0.18822%0.221CC..EExtended strand (participates in β ladder)trans-79.1115.2168.4171.80000108.7F189 R205 T206 G207 Q208 V210F189-V203 HydrophobicContact CD1-CB 4.48Å; F189-V203 HydrophobicContact CD1-CG2 3.71Å; F189-V203 HydrophobicContact CE1-CG2 3.44Å; F189-V203 VanDerWaalsContact CE1-CG2 3.44Å; V203-R205 VanDerWaalsContact C-N 3.31Å; V203-R205 HydrophobicContact CG1-CB 4.25Å; V203-R205 PolarHBondContact O-N 2.61Å; V203-T206 PolarHBondContact O-N 3.45Å; V203-G207 WeakPolarHBondContact O-CA 3.41Å; V203-G207 PolarHBondContact O-N 2.83Å; V203-Q208 PolarHBondContact N-O 3.24Å; V203-V210 HydrophobicContact CB-CG1 4.35Å; V203-V210 HydrophobicContact CG2-CB 4.35Å; V203-V210 HydrophobicContact CG2-CG1 3.34Å; V203-V210 HydrophobicContact CG2-CG2 4.06Å
204L96.5Very high96.4Very high17 Ų1747.6 Ų47.69%0.08924%0.241CC..THydrogen-bonded Turntrans-68-28.9-175.2-68.9180000113.4L153 L155 Y169 F183 K188 V190 V202 T206L153-L204 HydrophobicContact CD2-CD2 4.25Å; L155-L204 HydrophobicContact CD1-CD2 4.28Å; L155-L204 HydrophobicContact CD2-CD2 4.36Å; Y169-L204 HydrophobicContact CE2-CD2 4.12Å; Y169-L204 VanDerWaalsContact CZ-O 3.23Å; Y169-L204 PolarHBondContact OH-O 2.84Å; F183-L204 HydrophobicContact CD1-CD1 3.69Å; F183-L204 HydrophobicContact CE1-CD1 3.26Å; F183-L204 HydrophobicContact CZ-CD1 4.29Å; K188-L204 PolarHBondContact O-N 3Å; V190-L204 HydrophobicContact CB-CD2 4.14Å; V190-L204 HydrophobicContact CG2-CD1 3.97Å; V190-L204 HydrophobicContact CG2-CD2 3.72Å; V190-L204 HydrophobicContact CG2-CG 4.1Å; V202-L204 PolarHBondContact O-N 2.7Å; L204-T206 PolarHBondContact O-N 3.33Å
205R95.6Very high96.3Very high237 Ų23753.2 Ų53.289%0.89427%0.267SS*.THydrogen-bonded Turntrans-62-32.9178.2-175.8174.6177.7166.30.5112.6V203V203-R205 VanDerWaalsContact C-N 3.31Å; V203-R205 HydrophobicContact CG1-CB 4.25Å; V203-R205 PolarHBondContact O-N 2.61Å
206T96.4Very high96.2Very high76 Ų7651.4 Ų51.447%0.46626%0.26SS..THydrogen-bonded Turntrans-116.7-17.5-172.260.80000113.5V203 L204 Q208V203-T206 PolarHBondContact O-N 3.45Å; L204-T206 PolarHBondContact O-N 3.33Å; T206-Q208 PolarHBondContact O-N 2.91Å; T206-Q208 WeakPolarHBondContact OG1-CB 3.4Å; T206-Q208 PolarHBondContact OG1-N 3.04Å
207G95.5Very high96.1Very high12 Ų1253 Ų5312%0.12427%0.267CS..THydrogen-bonded Turntrans74.74.4-170.400000114.6V203V203-G207 WeakPolarHBondContact O-CA 3.41Å; V203-G207 PolarHBondContact O-N 2.83Å
208Q96.9Very high96.1Very high125 Ų12547.1 Ų47.158%0.58425%0.245SC*.EExtended strand (participates in β ladder)trans-77.4133.9-176-70.4177.6-30.300111.3V202 V203 T206 V210V202-Q208 CarbonylContact C-O 3.53Å; V202-Q208 WeakPolarHBondContact CA-O 3.46Å; V203-Q208 PolarHBondContact N-O 3.24Å; T206-Q208 PolarHBondContact O-N 2.91Å; T206-Q208 WeakPolarHBondContact OG1-CB 3.4Å; T206-Q208 PolarHBondContact OG1-N 3.04Å; Q208-V210 PolarHBondContact O-N 2.8Å
209V97.2Very high95.7Very high50 Ų5052.3 Ų52.330%0.30327%0.272SS..EExtended strand (participates in β ladder)trans-72.2111.1165.7-178.20000107.9P172 C200 Q201 V202 H211P172-V209 HydrophobicContact CG-CG2 4.14Å; C200-V209 HydrophobicContact CB-CG1 4.21Å; Q201-V209 CarbonylContact O-C 3.57Å; Q201-V209 WeakPolarHBondContact O-CA 3.23Å; V202-V209 HydrophobicContact CG2-CG2 4.23Å; V209-H211 WeakPolarHBondContact CG1-O 3.41Å
210V97.1Very high95.4Very high59 Ų5959.4 Ų59.436%0.35831%0.305SS..EExtended strand (participates in β ladder)trans-89.5-30.3-179.8-72.50000112.6F189 Q201 V203 Q208F189-V210 HydrophobicContact CD1-CG2 4.46Å; F189-V210 HydrophobicContact CE1-CG2 4.39Å; Q201-V210 HydrophobicContact CB-CG2 4.07Å; Q201-V210 HydrophobicContact CG-CG2 3.94Å; Q201-V210 WeakPolarHBondContact O-CG2 3.42Å; Q201-V210 PolarHBondContact O-N 3.06Å; V203-V210 HydrophobicContact CB-CG1 4.35Å; V203-V210 HydrophobicContact CG2-CB 4.35Å; V203-V210 HydrophobicContact CG2-CG1 3.34Å; V203-V210 HydrophobicContact CG2-CG2 4.06Å; Q208-V210 PolarHBondContact O-N 2.8Å
211H97Very high95.2Very high40 Ų4062.9 Ų62.919%0.18532%0.323CS..EExtended strand (participates in β ladder)trans-138.8142.8179.6-59.8-41000111.2C200 Q201 V209 Q249 S250 A252C200-H211 WeakPolarHBondContact CA-O 3.47Å; Q201-H211 HydrophobicContact CB-CB 4.18Å; Q201-H211 PolarHBondContact N-O 3.15Å; Q201-H211 PolarHBondContact OE1-CD2 3.35Å; Q201-H211 VanDerWaalsContact OE1-CD2 3.27Å; V209-H211 WeakPolarHBondContact CG1-O 3.41Å; H211-Q249 PolarHBondContact CD2-O 3.12Å; H211-Q249 PolarHBondContact NE2-O 3.1Å; H211-S250 PolarHBondContact NE2-O 2.58Å; H211-A252 HydrophobicContact CB-CB 3.62Å
212S96.8Very high95Very high73 Ų7365.4 Ų65.451%0.5133%0.334SS..EExtended strand (participates in β ladder)trans-131108.7173.6-67.70000108.2L199L199-S212 CarbonylContact O-C 3.55Å; L199-S212 WeakPolarHBondContact O-CA 3.04Å
213I97Very high94.8Very high6 Ų667.9 Ų67.93%0.03135%0.345CS..EExtended strand (participates in β ladder)trans-103.9128.4-176.9-59.1163.3000108.4L198 L199 E215 L235 F247 A252L198-I213 CarbonylContact C-O 3.5Å; L198-I213 WeakPolarHBondContact CA-O 3.4Å; L199-I213 HydrophobicContact CB-CB 4.15Å; L199-I213 PolarHBondContact N-O 3.03Å; L199-I213 PolarHBondContact O-N 3.31Å; I213-E215 HydrophobicContact CG2-CB 4.45Å; I213-L235 HydrophobicContact CD1-CD1 3.6Å; I213-F247 HydrophobicContact CD1-CB 4.05Å; I213-F247 HydrophobicContact CD1-CD1 4.38Å; I213-F247 HydrophobicContact CD1-CD2 4.27Å; I213-F247 HydrophobicContact CD1-CG 3.97Å; I213-F247 HydrophobicContact CG2-CD1 3.98Å; I213-F247 HydrophobicContact CG2-CD2 4.37Å; I213-F247 HydrophobicContact CG2-CE1 3.69Å; I213-F247 HydrophobicContact CG2-CE2 4.06Å; I213-F247 HydrophobicContact CG2-CG 4.33Å; I213-F247 HydrophobicContact CG2-CZ 3.73Å; I213-A252 HydrophobicContact CD1-CB 3.84Å; I213-A252 HydrophobicContact CG1-CB 3.7Å
214T95.9Very high94.7Very high69 Ų6966.4 Ų66.442%0.42334%0.336SS..  trans-1299.5-179.959.90000113.4R197 L198R197-T214 PolarHBondContact NH1-O 2.89Å; L198-T214 HydrophobicContact CD1-CG2 3.93Å
215E92.4Very high94.7Very high119 Ų11966.6 Ų66.656%0.55634%0.336SS*.  trans-76.6-24.8-174.3-66.5154.4156.800112.6I213 F247I213-E215 HydrophobicContact CG2-CB 4.45Å; E215-F247 HydrophobicContact CB-CE1 4.1Å; E215-F247 HydrophobicContact CB-CZ 4.32Å; E215-F247 WeakPolarHBondContact OE2-CE1 3.45Å
216R92.7Very high94.8Very high1 Ų155.3 Ų55.30%0.00429%0.294CS..SBendtrans-67.2143.2175.171.8173.4-173.31547.3111.5S194 G196 R197 L199 L224 T237 T239S194-R216 PolarHBondContact O-NH2 3.36Å; G196-R216 PolarHBondContact O-NH2 3.16Å; R197-R216 VanDerWaalsContact CD-O 3.32Å; R197-R216 WeakPolarHBondContact CD-O 3.49Å; R197-R216 VanDerWaalsContact CG-O 3.3Å; R197-R216 WeakPolarHBondContact CG-O 3.46Å; R197-R216 VanDerWaalsContact O-CG 3.3Å; R197-R216 WeakPolarHBondContact O-CG 3.45Å; R197-R216 PolarHBondContact O-NE 2.77Å; L199-R216 VanDerWaalsContact CD2-CZ 3.42Å; R216-L224 VanDerWaalsContact NH1-CB 3.34Å; R216-L224 PolarHBondContact NH1-O 3.27Å; R216-L224 VanDerWaalsContact NH1-O 3.13Å; R216-T237 HydrophobicContact CB-CG2 4.05Å; R216-T237 HydrophobicContact CG-CG2 4.48Å; R216-T237 PolarHBondContact NH1-OG1 2.87Å; R216-T237 VanDerWaalsContact NH1-OG1 3.15Å; R216-T239 HydrophobicContact CB-CG2 4.23Å
217T93Very high94.8Very high46 Ų4652.7 Ų52.728%0.28228%0.276SS..  trans-84133.1171.2580000110.1T239 S240 D241T217-T239 WeakPolarHBondContact O-CA 3.45Å; T217-T239 VanDerWaalsContact OG1-CB 3.32Å; T217-T239 WeakPolarHBondContact OG1-CB 3.4Å; T217-S240 PolarHBondContact O-N 2.88Å; T217-D241 PolarHBondContact OG1-OD1 2.88Å; T217-D241 VanDerWaalsContact OG1-OD1 3.12Å; T217-D241 PolarHBondContact OG1-OD2 3.49Å
218N94.5Very high94.9Very high2 Ų253.2 Ų53.21%0.01127%0.274CS..  trans-159.760.5173.2-166.115.8000109.8Y195 G196 R197 M221 E222 L224 S240Y195-N218 PolarHBondContact O-ND2 3.22Å; G196-N218 PolarHBondContact O-ND2 2.92Å; R197-N218 HydrophobicContact CG-CB 4.42Å; N218-M221 PolarHBondContact O-N 3.13Å; N218-E222 PolarHBondContact ND2-O 3.17Å; N218-E222 WeakPolarHBondContact OD1-CB 3.3Å; N218-E222 PolarHBondContact OD1-N 2.86Å; N218-L224 HydrophobicContact CB-CD1 3.77Å; N218-L224 WeakPolarHBondContact OD1-CD1 3.42Å; N218-S240 WeakPolarHBondContact CA-OG 3.47Å
219L87.8Confident94.8Very high133 Ų13347.2 Ų47.270%0.69625%0.247SC*.THydrogen-bonded Turntrans-70.9-34.1-171.3-63.5176.8000112.2M221L219-M221 PolarHBondContact O-N 2.95Å
220E91.3Very high94.6Very high150 Ų15048.2 Ų48.270%0.70125%0.254SS*.THydrogen-bonded Turntrans-81.48.8-179.4-59.1-56143.400113.4E222E220-E222 HydrophobicContact CB-CG 4.11Å; E220-E222 PolarHBondContact O-N 3.15Å
221M92.8Very high94.4Very high73 Ų7347.7 Ų47.736%0.3625%0.249SC..  trans57.134.3177.6-58.2-66.5-54.600113.7N176 Y195 N218 L219N176-M221 HydrophobicContact CB-CE 3.8Å; N176-M221 WeakPolarHBondContact ND2-CE 3.42Å; Y195-M221 WeakPolarHBondContact CD1-O 3.42Å; Y195-M221 CarbonylContact O-C 3.48Å; Y195-M221 WeakPolarHBondContact O-CA 3.44Å; Y195-M221 WeakPolarHBondContact O-CE 3.37Å; N218-M221 PolarHBondContact O-N 3.13Å; L219-M221 PolarHBondContact O-N 2.95Å
222E93.4Very high94.3Very high55 Ų5546.4 Ų46.426%0.25725%0.246SC..  trans-68.3153.6-177.7-72.6-80.8-172.600111.2N218 E220 L224 P265 K267N218-E222 PolarHBondContact ND2-O 3.17Å; N218-E222 WeakPolarHBondContact OD1-CB 3.3Å; N218-E222 PolarHBondContact OD1-N 2.86Å; E220-E222 HydrophobicContact CB-CG 4.11Å; E220-E222 PolarHBondContact O-N 3.15Å; E222-L224 HydrophobicContact CB-CD2 3.74Å; E222-L224 HydrophobicContact CB-CG 3.99Å; E222-L224 PolarHBondContact O-N 2.84Å; E222-P265 HydrophobicContact CG-CB 4.36Å; E222-P265 HydrophobicContact CG-CG 4.33Å; E222-K267 IonicContact OE1-NZ 2.75Å; E222-K267 WeakPolarHBondContact OE2-CE 3.4Å; E222-K267 IonicContact OE2-NZ 2.83Å; E222-K267 PolarHBondContact OE2-NZ 2.8Å
223K94Very high94.3Very high52 Ų5246.3 Ų46.323%0.22624%0.24CC..  trans-73.479173.1-168.6-178.9177.3160.30110.5T93 A179 Y195T93-K223 PolarHBondContact O-NZ 2.9Å; A179-K223 HydrophobicContact CB-CG 3.95Å; A179-K223 WeakPolarHBondContact O-CE 3.43Å; Y195-K223 HydrophobicContact CD1-CB 4.35Å; Y195-K223 HydrophobicContact CE1-CB 3.79Å; Y195-K223 HydrophobicContact CE1-CG 4.04Å
224L95.7Very high94.3Very high0 Ų046.7 Ų46.70%024%0.241CC..  trans-95.4113.8178.1-53.6-170.8000110.3S193 R216 N218 E222 P265 K267S193-L224 WeakPolarHBondContact CB-O 3.4Å; S193-L224 PolarHBondContact OG-O 3.03Å; R216-L224 VanDerWaalsContact NH1-CB 3.34Å; R216-L224 PolarHBondContact NH1-O 3.27Å; R216-L224 VanDerWaalsContact NH1-O 3.13Å; N218-L224 HydrophobicContact CB-CD1 3.77Å; N218-L224 WeakPolarHBondContact OD1-CD1 3.42Å; E222-L224 HydrophobicContact CB-CD2 3.74Å; E222-L224 HydrophobicContact CB-CG 3.99Å; E222-L224 PolarHBondContact O-N 2.84Å; L224-P265 HydrophobicContact CD2-CB 4.37Å; L224-K267 HydrophobicContact CD2-CB 4.46Å; L224-K267 HydrophobicContact CD2-CG 4.22Å
225E96.1Very high94.4Very high20 Ų2043.4 Ų43.49%0.09322%0.221CC..  trans-77.3157.4177.4-61.7-167.5-141.800112F227 T237 K267 R268E225-F227 HydrophobicContact CB-CD2 4.34Å; E225-F227 HydrophobicContact CB-CE2 3.46Å; E225-F227 VanDerWaalsContact CB-CE2 3.46Å; E225-F227 HydrophobicContact CB-CZ 3.91Å; E225-F227 WeakPolarHBondContact OE2-CZ 3.39Å; E225-T237 PolarHBondContact O-OG1 2.67Å; E225-K267 PolarHBondContact N-O 2.8Å; E225-R268 IonicContact OE1-CZ 3.64Å; E225-R268 IonicContact OE1-NE 3.41Å; E225-R268 PolarHBondContact OE1-NE 3.02Å; E225-R268 VanDerWaalsContact OE1-NE 3.14Å; E225-R268 IonicContact OE1-NH2 3.69Å; E225-R268 PolarHBondContact OE1-NH2 3.41Å; E225-R268 IonicContact OE2-CZ 3.66Å; E225-R268 IonicContact OE2-NE 3.72Å; E225-R268 IonicContact OE2-NH2 2.83Å
226A97.2Very high94.7Very high0 Ų037.8 Ų37.80%020%0.195CC..EExtended strand (participates in β ladder)trans-133.7143.117300000110.3L191 L199 I236L191-A226 HydrophobicContact CD2-CB 3.62Å; L191-A226 HydrophobicContact CG-CB 4.15Å; L199-A226 HydrophobicContact CD1-CB 4.14Å; L199-A226 HydrophobicContact CD2-CB 3.74Å; A226-I236 CarbonylContact C-O 3.54Å; A226-I236 VanDerWaalsContact CA-O 3.24Å; A226-I236 WeakPolarHBondContact CA-O 3.44Å
227F97Very high94.9Very high21 Ų2137.8 Ų37.89%0.09220%0.195CC..EExtended strand (participates in β ladder)trans-134.9163.3-172.5-62.7-93.2000111.5K182 E225 L235 I236 R268 V269K182-F227 HydrophobicContact CD-CD1 4.21Å; K182-F227 HydrophobicContact CD-CE1 4.04Å; K182-F227 HydrophobicContact CG-CD1 4.04Å; K182-F227 HydrophobicContact CG-CE1 4.19Å; E225-F227 HydrophobicContact CB-CD2 4.34Å; E225-F227 HydrophobicContact CB-CE2 3.46Å; E225-F227 VanDerWaalsContact CB-CE2 3.46Å; E225-F227 HydrophobicContact CB-CZ 3.91Å; E225-F227 WeakPolarHBondContact OE2-CZ 3.39Å; F227-L235 CarbonylContact O-C 3.55Å; F227-L235 WeakPolarHBondContact O-CA 3.17Å; F227-I236 PolarHBondContact N-O 3.37Å; F227-I236 PolarHBondContact O-N 2.86Å; F227-R268 HydrophobicContact CE2-CG 3.9Å; F227-R268 HydrophobicContact CZ-CG 3.98Å; F227-V269 HydrophobicContact CD2-CG1 4.45Å; F227-V269 WeakPolarHBondContact CD2-O 3.43Å; F227-V269 WeakPolarHBondContact CE2-O 3.25Å
228Y96.7Very high95.1Very high23 Ų2335.6 Ų35.69%0.0918%0.182CC..EExtended strand (participates in β ladder)trans-87.9149.7165.7-72.1-92.6000110.5F183 L191 Q201 Y234 L235 Q249F183-Y228 WeakPolarHBondContact O-CD2 3.25Å; L191-Y228 HydrophobicContact CB-CD2 4.24Å; L191-Y228 HydrophobicContact CB-CE2 3.38Å; L191-Y228 HydrophobicContact CD2-CD2 4.49Å; L191-Y228 HydrophobicContact CD2-CE2 4.3Å; L191-Y228 HydrophobicContact CG-CE2 4.48Å; Q201-Y228 WeakPolarHBondContact CG-OH 3.2Å; Q201-Y228 PolarHBondContact NE2-OH 3.05Å; Y228-Y234 CarbonylContact C-O 3.47Å; Y228-Y234 WeakPolarHBondContact CA-O 3.23Å; Y228-L235 HydrophobicContact CD1-CD2 3.54Å; Y228-L235 HydrophobicContact CE1-CD2 3.16Å; Y228-L235 HydrophobicContact CE2-CD2 4.4Å; Y228-L235 HydrophobicContact CG-CD2 4.28Å; Y228-Q249 HydrophobicContact CD1-CG 4.22Å; Y228-Q249 HydrophobicContact CE1-CG 3.72Å
229S95.4Very high95.2Very high0 Ų035.6 Ų35.60%018%0.182CC..  trans-63153160.561.90000110.7D231 G232 N233 Y234S229-D231 VanDerWaalsContact CB-OD1 3.32Å; S229-D231 WeakPolarHBondContact CB-OD1 3.4Å; S229-D231 PolarHBondContact O-N 3.27Å; S229-D231 VanDerWaalsContact O-N 3.16Å; S229-D231 PolarHBondContact OG-OD1 3.01Å; S229-G232 WeakPolarHBondContact O-CA 3.19Å; S229-G232 PolarHBondContact O-N 3.34Å; S229-N233 PolarHBondContact OG-N 3.03Å; S229-Y234 PolarHBondContact N-O 3.06Å; S229-Y234 PolarHBondContact OG-N 3.41Å; S229-Y234 PolarHBondContact OG-O 2.92Å
230P92.9Very high95.6Very high70 Ų7030.2 Ų30.246%0.45516%0.156SC..THydrogen-bonded Turntrans-58.1-30.7-177.9-27.735.1000114.4G232 F271P230-G232 VanDerWaalsContact C-N 3.3Å; P230-F271 HydrophobicContact CG-CB 3.55Å; P230-F271 HydrophobicContact CG-CG 4.1Å
231D93.4Very high95.7Very high49 Ų4925.8 Ų25.826%0.26214%0.137SC..THydrogen-bonded Turntrans-82.9-5175.567-9.4000113.6I3 S229 N233I3-D231 WeakPolarHBondContact CB-OD2 3.2Å; I3-D231 PolarHBondContact N-OD2 2.95Å; S229-D231 VanDerWaalsContact CB-OD1 3.32Å; S229-D231 WeakPolarHBondContact CB-OD1 3.4Å; S229-D231 PolarHBondContact O-N 3.27Å; S229-D231 VanDerWaalsContact O-N 3.16Å; S229-D231 PolarHBondContact OG-OD1 3.01Å; D231-N233 VanDerWaalsContact C-N 3.28Å; D231-N233 VanDerWaalsContact CG-ND2 3.25Å; D231-N233 PolarHBondContact O-N 2.88Å; D231-N233 PolarHBondContact OD1-N 3.12Å; D231-N233 PolarHBondContact OD2-ND2 2.77Å
232G95.3Very high95.8Very high12 Ų1222.3 Ų22.312%0.12412%0.12CC..SBendtrans76.64.7178.200000115.4S229 P230 Q249S229-G232 WeakPolarHBondContact O-CA 3.19Å; S229-G232 PolarHBondContact O-N 3.34Å; P230-G232 VanDerWaalsContact C-N 3.3Å; G232-Q249 WeakPolarHBondContact O-CB 3.47Å; G232-Q249 WeakPolarHBondContact O-CG 3.41Å
233N96.3Very high95.9Very high72 Ų7222.1 Ų22.139%0.38512%0.119SC..SBendtrans-84.6-18.9-173.5-70.1-38.6000114.2S229 D231 Q249S229-N233 PolarHBondContact OG-N 3.03Å; D231-N233 VanDerWaalsContact C-N 3.28Å; D231-N233 VanDerWaalsContact CG-ND2 3.25Å; D231-N233 PolarHBondContact O-N 2.88Å; D231-N233 PolarHBondContact OD1-N 3.12Å; D231-N233 PolarHBondContact OD2-ND2 2.77Å; N233-Q249 WeakPolarHBondContact O-CB 3.35Å; N233-Q249 PolarHBondContact O-N 3.26Å
234Y97.3Very high96.1Very high13 Ų1319.7 Ų19.75%0.05111%0.108CC..EExtended strand (participates in β ladder)trans-130.2148.3-178-57.4-92000112.4I3 T5 L8 Y228 S229 F247 H248 A255I3-Y234 HydrophobicContact CB-CD2 4.34Å; I3-Y234 HydrophobicContact CB-CE2 4.12Å; I3-Y234 HydrophobicContact CG2-CD2 3.98Å; I3-Y234 HydrophobicContact CG2-CE2 3.81Å; I3-Y234 WeakPolarHBondContact O-CE2 3.35Å; T5-Y234 PolarHBondContact N-OH 3.09Å; T5-Y234 VanDerWaalsContact N-OH 3.1Å; T5-Y234 PolarHBondContact OG1-OH 2.91Å; L8-Y234 HydrophobicContact CD1-CD1 3.65Å; L8-Y234 HydrophobicContact CD1-CD2 4.03Å; L8-Y234 HydrophobicContact CD1-CE1 3.68Å; L8-Y234 HydrophobicContact CD1-CE2 4.09Å; L8-Y234 HydrophobicContact CD1-CG 3.83Å; Y228-Y234 CarbonylContact C-O 3.47Å; Y228-Y234 WeakPolarHBondContact CA-O 3.23Å; S229-Y234 PolarHBondContact N-O 3.06Å; S229-Y234 PolarHBondContact OG-N 3.41Å; S229-Y234 PolarHBondContact OG-O 2.92Å; Y234-F247 CarbonylContact C-O 3.6Å; Y234-F247 WeakPolarHBondContact CA-O 3.41Å; Y234-H248 AromaticContact CE1-CE1 3.46Å; Y234-H248 VanDerWaalsContact CE1-CE1 3.46Å; Y234-H248 WeakPolarHBondContact CE1-CE1 3.3Å; Y234-H248 AromaticContact CE1-ND1 3.41Å; Y234-H248 WeakPolarHBondContact CE1-ND1 3.42Å; Y234-H248 AromaticContact CZ-CE1 3.97Å; Y234-A255 HydrophobicContact CD1-CB 4.09Å; Y234-A255 HydrophobicContact CE1-CB 3.79Å
235L97.6Very high96.2Very high1 Ų119.9 Ų19.91%0.00511%0.109CC..EExtended strand (participates in β ladder)trans-98.5135.6163.7-46.5175.3000107.8L191 I213 F227 Y228 F246 F247 Q249L191-L235 HydrophobicContact CD1-CD1 4.16Å; L191-L235 HydrophobicContact CD1-CD2 4.3Å; L191-L235 HydrophobicContact CD2-CB 4.41Å; L191-L235 HydrophobicContact CD2-CD2 4.08Å; I213-L235 HydrophobicContact CD1-CD1 3.6Å; F227-L235 CarbonylContact O-C 3.55Å; F227-L235 WeakPolarHBondContact O-CA 3.17Å; Y228-L235 HydrophobicContact CD1-CD2 3.54Å; Y228-L235 HydrophobicContact CE1-CD2 3.16Å; Y228-L235 HydrophobicContact CE2-CD2 4.4Å; Y228-L235 HydrophobicContact CG-CD2 4.28Å; L235-F246 CarbonylContact O-C 3.59Å; L235-F246 WeakPolarHBondContact O-CA 3.41Å; L235-F247 HydrophobicContact CB-CB 4.3Å; L235-F247 PolarHBondContact N-O 2.88Å; L235-F247 PolarHBondContact O-N 2.94Å; L235-Q249 HydrophobicContact CD2-CB 4.33Å; L235-Q249 HydrophobicContact CD2-CG 4.08Å; L235-Q249 HydrophobicContact CG-CB 4.44Å
236I97.5Very high96.2Very high1 Ų118.9 Ų18.91%0.00511%0.105CC..EExtended strand (participates in β ladder)trans-126.5131.3-172.9-44.4155.2000107.5A226 F227 I244 C245 F246 V269 F271A226-I236 CarbonylContact C-O 3.54Å; A226-I236 VanDerWaalsContact CA-O 3.24Å; A226-I236 WeakPolarHBondContact CA-O 3.44Å; F227-I236 PolarHBondContact N-O 3.37Å; F227-I236 PolarHBondContact O-N 2.86Å; I236-I244 HydrophobicContact CG2-CG2 3.76Å; I236-C245 WeakPolarHBondContact CA-O 3.42Å; I236-F246 HydrophobicContact CB-CD1 4.36Å; I236-F246 HydrophobicContact CB-CE1 4.45Å; I236-F246 HydrophobicContact CG1-CD1 3.86Å; I236-F246 HydrophobicContact CG1-CE1 4.09Å; I236-F246 HydrophobicContact CG2-CD1 3.87Å; I236-F246 HydrophobicContact CG2-CE1 3.59Å; I236-F246 HydrophobicContact CG2-CZ 4.33Å; I236-V269 HydrophobicContact CB-CG1 4.46Å; I236-V269 HydrophobicContact CG2-CB 4.45Å; I236-V269 HydrophobicContact CG2-CG1 3.79Å; I236-V269 HydrophobicContact CG2-CG2 3.75Å; I236-F271 HydrophobicContact CD1-CD2 3.3Å; I236-F271 HydrophobicContact CD1-CE2 3.28Å; I236-F271 HydrophobicContact CG1-CE2 4.25Å
237T97.7Very high96.3Very high0 Ų018.9 Ų18.90%011%0.105CC..EExtended strand (participates in β ladder)trans-146.4149.4177.1-165.10000109.5L199 R216 E225 C245 F247L199-T237 HydrophobicContact CD1-CG2 3.96Å; R216-T237 HydrophobicContact CB-CG2 4.05Å; R216-T237 HydrophobicContact CG-CG2 4.48Å; R216-T237 PolarHBondContact NH1-OG1 2.87Å; R216-T237 VanDerWaalsContact NH1-OG1 3.15Å; E225-T237 PolarHBondContact O-OG1 2.67Å; T237-C245 HydrophobicContact CG2-CB 4.09Å; T237-C245 PolarHBondContact N-O 3.23Å; T237-C245 VanDerWaalsContact N-O 3.09Å; T237-C245 PolarHBondContact O-N 2.89Å; T237-F247 HydrophobicContact CG2-CE2 3.87Å
238G96.9Very high96.3Very high1 Ų120.4 Ų20.41%0.0111%0.112CC..EExtended strand (participates in β ladder)trans-85.3168.616700000112.3H243 V266G238-H243 CarbonylContact C-O 3.52Å; G238-H243 WeakPolarHBondContact CA-O 3.19Å; G238-V266 WeakPolarHBondContact CA-O 3.32Å
239T97Very high96.3Very high2 Ų220.7 Ų20.71%0.01211%0.114CC..  trans-123.2164.2176.366.80000111.6R216 T217 D241 H243 P265 V266R216-T239 HydrophobicContact CB-CG2 4.23Å; T217-T239 WeakPolarHBondContact O-CA 3.45Å; T217-T239 VanDerWaalsContact OG1-CB 3.32Å; T217-T239 WeakPolarHBondContact OG1-CB 3.4Å; T239-D241 VanDerWaalsContact CB-OD1 3.25Å; T239-D241 WeakPolarHBondContact CB-OD1 3.22Å; T239-D241 PolarHBondContact O-N 2.83Å; T239-D241 PolarHBondContact OG1-OD1 3.01Å; T239-H243 HydrophobicContact CG2-CB 3.99Å; T239-H243 PolarHBondContact N-O 2.86Å; T239-H243 WeakPolarHBondContact OG1-CA 3.35Å; T239-H243 WeakPolarHBondContact OG1-CB 3.28Å; T239-H243 PolarHBondContact OG1-N 2.85Å; T239-H243 PolarHBondContact OG1-O 2.98Å; T239-P265 WeakPolarHBondContact O-CA 3.47Å; T239-V266 PolarHBondContact O-N 3.29Å
240S95.7Very high96.4Very high20 Ų2024.9 Ų24.914%0.1414%0.144CC..THydrogen-bonded Turntrans-70.1-13176.156.50000114T217 N218T217-S240 PolarHBondContact O-N 2.88Å; N218-S240 WeakPolarHBondContact CA-OG 3.47Å
241D93.9Very high96.5Very high56 Ų5625.5 Ų25.530%0.29914%0.143SC..THydrogen-bonded Turntrans-110.919.1-175.359.713.6000114T217 T239 H243T217-D241 PolarHBondContact OG1-OD1 2.88Å; T217-D241 VanDerWaalsContact OG1-OD1 3.12Å; T217-D241 PolarHBondContact OG1-OD2 3.49Å; T239-D241 VanDerWaalsContact CB-OD1 3.25Å; T239-D241 WeakPolarHBondContact CB-OD1 3.22Å; T239-D241 PolarHBondContact O-N 2.83Å; T239-D241 PolarHBondContact OG1-OD1 3.01Å; D241-H243 PolarHBondContact O-ND1 2.89Å; D241-H243 IonicContact OD1-CE1 2.75Å; D241-H243 IonicContact OD1-CG 3.8Å; D241-H243 IonicContact OD1-ND1 3.33Å; D241-H243 PolarHBondContact OD1-ND1 3Å; D241-H243 IonicContact OD2-ND1 2.67Å
242G94.4Very high96.7Very high1 Ų123.8 Ų23.81%0.0114%0.136CC..SBendtrans89.511.5172.300000115.9H260 F264G242-H260 PolarHBondContact O-N 3.25Å; G242-H260 PolarHBondContact O-ND1 3.42Å; G242-F264 VanDerWaalsContact CA-O 3.26Å; G242-F264 WeakPolarHBondContact CA-O 3.35Å; G242-F264 PolarHBondContact N-O 2.71Å
243H96.3Very high96.7Very high51 Ų5127 Ų2724%0.23615%0.152CC..EExtended strand (participates in β ladder)trans-97.9155.7177.5-58.985.5000113G238 T239 D241 Q257 V258 A259 V266G238-H243 CarbonylContact C-O 3.52Å; G238-H243 WeakPolarHBondContact CA-O 3.19Å; T239-H243 HydrophobicContact CG2-CB 3.99Å; T239-H243 PolarHBondContact N-O 2.86Å; T239-H243 WeakPolarHBondContact OG1-CA 3.35Å; T239-H243 WeakPolarHBondContact OG1-CB 3.28Å; T239-H243 PolarHBondContact OG1-N 2.85Å; T239-H243 PolarHBondContact OG1-O 2.98Å; D241-H243 PolarHBondContact O-ND1 2.89Å; D241-H243 IonicContact OD1-CE1 2.75Å; D241-H243 IonicContact OD1-CG 3.8Å; D241-H243 IonicContact OD1-ND1 3.33Å; D241-H243 PolarHBondContact OD1-ND1 3Å; D241-H243 IonicContact OD2-ND1 2.67Å; H243-Q257 HydrophobicContact CB-CG 4.02Å; H243-Q257 PolarHBondContact CD2-NE2 3.32Å; H243-V258 CarbonylContact C-O 3.59Å; H243-V258 WeakPolarHBondContact CA-O 3.15Å; H243-A259 VanDerWaalsContact CD2-CB 3.44Å; H243-A259 WeakPolarHBondContact CD2-CB 3.48Å; H243-V266 WeakPolarHBondContact O-CG2 3.3Å
244I97.2Very high96.8Very high0 Ų026.8 Ų26.80%015%0.151CC..EExtended strand (participates in β ladder)trans-115119.3165.9-56.4172.8000107.1I236 F246 Q257 V258 V266 V269 L278 W288I236-I244 HydrophobicContact CG2-CG2 3.76Å; I244-F246 HydrophobicContact CB-CE2 4.33Å; I244-F246 HydrophobicContact CB-CZ 4.46Å; I244-F246 HydrophobicContact CG2-CD2 4.48Å; I244-F246 HydrophobicContact CG2-CE1 4.15Å; I244-F246 HydrophobicContact CG2-CE2 3.75Å; I244-F246 HydrophobicContact CG2-CZ 3.55Å; I244-Q257 VanDerWaalsContact O-CA 3.29Å; I244-Q257 WeakPolarHBondContact O-CA 3.47Å; I244-V258 HydrophobicContact CB-CG2 3.89Å; I244-V258 HydrophobicContact CD1-CG2 4.24Å; I244-V258 HydrophobicContact CG1-CG2 4.41Å; I244-V258 PolarHBondContact N-O 3.48Å; I244-V258 PolarHBondContact O-N 3.21Å; I244-V266 HydrophobicContact CG1-CG1 4.14Å; I244-V269 HydrophobicContact CD1-CG2 4.23Å; I244-V269 HydrophobicContact CG2-CG2 3.98Å; I244-L278 HydrophobicContact CD1-CD2 3.83Å; I244-L278 HydrophobicContact CG2-CD2 4.34Å; I244-W288 HydrophobicContact CD1-CD2 4.5Å; I244-W288 HydrophobicContact CD1-CZ2 3.98Å
245C97.6Very high96.8Very high4 Ų426.5 Ų26.53%0.02715%0.152CC..EExtended strand (participates in β ladder)trans-101.7138.3178.7-62.30000110.5I236 T237 F247 L254I236-C245 WeakPolarHBondContact CA-O 3.42Å; T237-C245 HydrophobicContact CG2-CB 4.09Å; T237-C245 PolarHBondContact N-O 3.23Å; T237-C245 VanDerWaalsContact N-O 3.09Å; T237-C245 PolarHBondContact O-N 2.89Å; C245-F247 HydrophobicContact CB-CD2 4.42Å; C245-F247 HydrophobicContact CB-CE2 3.5Å; C245-F247 HydrophobicContact CB-CZ 3.7Å; C245-L254 HydrophobicContact CB-CD1 3.92Å
246F97.8Very high96.7Very high0 Ų026.8 Ų26.80%015%0.154CC..EExtended strand (participates in β ladder)trans-119.2118.5175.8-56.9-90000109.6L8 L11 L235 I236 I244 A255 S256 V258 F271 L278L8-F246 HydrophobicContact CB-CD2 4.41Å; L8-F246 HydrophobicContact CB-CG 4.45Å; L8-F246 HydrophobicContact CD1-CB 3.9Å; L8-F246 HydrophobicContact CD1-CD1 3.84Å; L8-F246 HydrophobicContact CD1-CG 3.88Å; L8-F246 HydrophobicContact CD2-CD1 3.76Å; L8-F246 HydrophobicContact CD2-CE1 3.65Å; L8-F246 HydrophobicContact CD2-CG 4.33Å; L8-F246 HydrophobicContact CD2-CZ 4.11Å; L8-F246 HydrophobicContact CG-CD1 4.3Å; L8-F246 HydrophobicContact CG-CG 4.45Å; L11-F246 HydrophobicContact CD1-CE1 4.42Å; L11-F246 HydrophobicContact CD1-CE2 4.21Å; L11-F246 HydrophobicContact CD1-CZ 3.65Å; L235-F246 CarbonylContact O-C 3.59Å; L235-F246 WeakPolarHBondContact O-CA 3.41Å; I236-F246 HydrophobicContact CB-CD1 4.36Å; I236-F246 HydrophobicContact CB-CE1 4.45Å; I236-F246 HydrophobicContact CG1-CD1 3.86Å; I236-F246 HydrophobicContact CG1-CE1 4.09Å; I236-F246 HydrophobicContact CG2-CD1 3.87Å; I236-F246 HydrophobicContact CG2-CE1 3.59Å; I236-F246 HydrophobicContact CG2-CZ 4.33Å; I244-F246 HydrophobicContact CB-CE2 4.33Å; I244-F246 HydrophobicContact CB-CZ 4.46Å; I244-F246 HydrophobicContact CG2-CD2 4.48Å; I244-F246 HydrophobicContact CG2-CE1 4.15Å; I244-F246 HydrophobicContact CG2-CE2 3.75Å; I244-F246 HydrophobicContact CG2-CZ 3.55Å; F246-A255 WeakPolarHBondContact O-CB 3.41Å; F246-A255 PolarHBondContact O-N 2.86Å; F246-S256 PolarHBondContact N-O 2.74Å; F246-S256 PolarHBondContact O-N 3.27Å; F246-V258 HydrophobicContact CE2-CG2 4.09Å; F246-F271 HydrophobicContact CE1-CE2 4.27Å; F246-F271 HydrophobicContact CE1-CZ 4.4Å; F246-L278 HydrophobicContact CE1-CD2 4.46Å; F246-L278 HydrophobicContact CZ-CD2 4.03Å
247F98Very high96.6Very high0 Ų031 Ų310%017%0.173CC..EExtended strand (participates in β ladder)trans-108.4140.6177.1-55.1-88.2000109.8I213 E215 Y234 L235 T237 C245 Q249 V253 L254I213-F247 HydrophobicContact CD1-CB 4.05Å; I213-F247 HydrophobicContact CD1-CD1 4.38Å; I213-F247 HydrophobicContact CD1-CD2 4.27Å; I213-F247 HydrophobicContact CD1-CG 3.97Å; I213-F247 HydrophobicContact CG2-CD1 3.98Å; I213-F247 HydrophobicContact CG2-CD2 4.37Å; I213-F247 HydrophobicContact CG2-CE1 3.69Å; I213-F247 HydrophobicContact CG2-CE2 4.06Å; I213-F247 HydrophobicContact CG2-CG 4.33Å; I213-F247 HydrophobicContact CG2-CZ 3.73Å; E215-F247 HydrophobicContact CB-CE1 4.1Å; E215-F247 HydrophobicContact CB-CZ 4.32Å; E215-F247 WeakPolarHBondContact OE2-CE1 3.45Å; Y234-F247 CarbonylContact C-O 3.6Å; Y234-F247 WeakPolarHBondContact CA-O 3.41Å; L235-F247 HydrophobicContact CB-CB 4.3Å; L235-F247 PolarHBondContact N-O 2.88Å; L235-F247 PolarHBondContact O-N 2.94Å; T237-F247 HydrophobicContact CG2-CE2 3.87Å; C245-F247 HydrophobicContact CB-CD2 4.42Å; C245-F247 HydrophobicContact CB-CE2 3.5Å; C245-F247 HydrophobicContact CB-CZ 3.7Å; F247-Q249 PolarHBondContact O-N 3.1Å; F247-V253 CarbonylContact C-O 3.49Å; F247-V253 WeakPolarHBondContact CA-O 3.37Å; F247-L254 HydrophobicContact CD1-CB 3.99Å; F247-L254 HydrophobicContact CD1-CD1 4.05Å; F247-L254 HydrophobicContact CE1-CB 3.84Å; F247-L254 HydrophobicContact CE1-CD1 3.57Å; F247-L254 HydrophobicContact CE1-CG 4.3Å; F247-L254 HydrophobicContact CE2-CD1 4.46Å; F247-L254 HydrophobicContact CZ-CD1 3.82Å
248H97.6Very high96.5Very high52 Ų5231.6 Ų31.624%0.24118%0.177CC..EExtended strand (participates in β ladder)trans-62.6126.8169.7-77.4-63.7000109.7T5 Y234 S250 N251 A252 V253 A255T5-H248 PolarHBondContact OG1-CE1 3.45Å; T5-H248 VanDerWaalsContact OG1-CE1 3.29Å; Y234-H248 AromaticContact CE1-CE1 3.46Å; Y234-H248 VanDerWaalsContact CE1-CE1 3.46Å; Y234-H248 WeakPolarHBondContact CE1-CE1 3.3Å; Y234-H248 AromaticContact CE1-ND1 3.41Å; Y234-H248 WeakPolarHBondContact CE1-ND1 3.42Å; Y234-H248 AromaticContact CZ-CE1 3.97Å; H248-S250 PolarHBondContact O-N 3.47Å; H248-N251 WeakPolarHBondContact CB-OD1 3.37Å; H248-A252 VanDerWaalsContact O-CA 3.23Å; H248-A252 WeakPolarHBondContact O-CA 3.29Å; H248-A252 PolarHBondContact O-N 2.98Å; H248-V253 PolarHBondContact N-O 2.71Å; H248-A255 WeakPolarHBondContact NE2-CB 3.36Å
249Q96.8Very high96.4Very high30 Ų3034.1 Ų34.114%0.1420%0.198CC..THydrogen-bonded Turntrans-61.2-34.4-178.3-177.3-80.7-60.800112.2Q201 H211 Y228 G232 N233 L235 F247Q201-Q249 VanDerWaalsContact CD-NE2 3.35Å; Q201-Q249 PolarHBondContact OE1-O 2.85Å; H211-Q249 PolarHBondContact CD2-O 3.12Å; H211-Q249 PolarHBondContact NE2-O 3.1Å; Y228-Q249 HydrophobicContact CD1-CG 4.22Å; Y228-Q249 HydrophobicContact CE1-CG 3.72Å; G232-Q249 WeakPolarHBondContact O-CB 3.47Å; G232-Q249 WeakPolarHBondContact O-CG 3.41Å; N233-Q249 WeakPolarHBondContact O-CB 3.35Å; N233-Q249 PolarHBondContact O-N 3.26Å; L235-Q249 HydrophobicContact CD2-CB 4.33Å; L235-Q249 HydrophobicContact CD2-CG 4.08Å; L235-Q249 HydrophobicContact CG-CB 4.44Å; F247-Q249 PolarHBondContact O-N 3.1Å
250S96.4Very high96.2Very high88 Ų8834.7 Ų34.762%0.61520%0.2SC*.THydrogen-bonded Turntrans-76.3-24.4-171.655.50000115.2H211 H248H211-S250 PolarHBondContact NE2-O 2.58Å; H248-S250 PolarHBondContact O-N 3.47Å
251N96.3Very high95.8Very high83 Ų8342 Ų4244%0.44423%0.232SC..THydrogen-bonded Turntrans-138.90.2-175.266.814.9000113.9H248 V253H248-N251 WeakPolarHBondContact CB-OD1 3.37Å; N251-V253 HydrophobicContact CB-CG2 4.41Å; N251-V253 PolarHBondContact O-N 3.16Å; N251-V253 VanDerWaalsContact O-N 3.16Å; N251-V253 WeakPolarHBondContact OD1-CB 3.45Å; N251-V253 PolarHBondContact OD1-N 3.18Å
252A96.5Very high95.5Very high13 Ų1342.1 Ų42.111%0.10724%0.235CC..  trans59.618.817900000115.8H211 I213 H248H211-A252 HydrophobicContact CB-CB 3.62Å; I213-A252 HydrophobicContact CD1-CB 3.84Å; I213-A252 HydrophobicContact CG1-CB 3.7Å; H248-A252 VanDerWaalsContact O-CA 3.23Å; H248-A252 WeakPolarHBondContact O-CA 3.29Å; H248-A252 PolarHBondContact O-N 2.98Å
253V97Very high95.2Very high78 Ų7847.6 Ų47.647%0.47327%0.268SS..  trans-83.7139176.4178.60000110.4F247 H248 N251 A255F247-V253 CarbonylContact C-O 3.49Å; F247-V253 WeakPolarHBondContact CA-O 3.37Å; H248-V253 PolarHBondContact N-O 2.71Å; N251-V253 HydrophobicContact CB-CG2 4.41Å; N251-V253 PolarHBondContact O-N 3.16Å; N251-V253 VanDerWaalsContact O-N 3.16Å; N251-V253 WeakPolarHBondContact OD1-CB 3.45Å; N251-V253 PolarHBondContact OD1-N 3.18Å; V253-A255 PolarHBondContact O-N 3.36Å; V253-A255 VanDerWaalsContact O-N 3.14Å
254L97.3Very high95Very high69 Ų6950.8 Ų50.836%0.36128%0.282SS..EExtended strand (participates in β ladder)trans-59.2114.1173.5-174.270.4000110.7C245 F247 S256C245-L254 HydrophobicContact CB-CD1 3.92Å; F247-L254 HydrophobicContact CD1-CB 3.99Å; F247-L254 HydrophobicContact CD1-CD1 4.05Å; F247-L254 HydrophobicContact CE1-CB 3.84Å; F247-L254 HydrophobicContact CE1-CD1 3.57Å; F247-L254 HydrophobicContact CE1-CG 4.3Å; F247-L254 HydrophobicContact CE2-CD1 4.46Å; F247-L254 HydrophobicContact CZ-CD1 3.82Å; L254-S256 WeakPolarHBondContact CD1-O 3.3Å
255A96.7Very high94.9Very high7 Ų752.3 Ų52.36%0.05829%0.292CS..EExtended strand (participates in β ladder)trans-85.9-43.7179.300000111.7T5 R9 Y234 F246 H248 V253T5-A255 HydrophobicContact CG2-CB 4.01Å; T5-A255 WeakPolarHBondContact CG2-O 3.23Å; R9-A255 PolarHBondContact NH2-O 3.02Å; Y234-A255 HydrophobicContact CD1-CB 4.09Å; Y234-A255 HydrophobicContact CE1-CB 3.79Å; F246-A255 WeakPolarHBondContact O-CB 3.41Å; F246-A255 PolarHBondContact O-N 2.86Å; H248-A255 WeakPolarHBondContact NE2-CB 3.36Å; V253-A255 PolarHBondContact O-N 3.36Å; V253-A255 VanDerWaalsContact O-N 3.14Å
256S96.1Very high94.8Very high7 Ų752.1 Ų52.15%0.04929%0.291CS..EExtended strand (participates in β ladder)trans-159159.4-174.8-178.80000110.5R9 F246 L254R9-S256 WeakPolarHBondContact CA-OG 3.3Å; R9-S256 VanDerWaalsContact CG-OG 3.23Å; R9-S256 WeakPolarHBondContact CG-OG 3.22Å; R9-S256 PolarHBondContact N-OG 3.15Å; F246-S256 PolarHBondContact N-O 2.74Å; F246-S256 PolarHBondContact O-N 3.27Å; L254-S256 WeakPolarHBondContact CD1-O 3.3Å
257Q95.9Very high94.6Very high88 Ų8856.5 Ų56.541%0.41131%0.31SS..EExtended strand (participates in β ladder)trans-144.1140.8171.8179.9173.5-19.100108.3H243 I244H243-Q257 HydrophobicContact CB-CG 4.02Å; H243-Q257 PolarHBondContact CD2-NE2 3.32Å; I244-Q257 VanDerWaalsContact O-CA 3.29Å; I244-Q257 WeakPolarHBondContact O-CA 3.47Å
258V95.9Very high94.5Very high14 Ų1457.9 Ų57.99%0.08532%0.315CS..EExtended strand (participates in β ladder)trans-125.5153.8170-600000109.1L11 H243 I244 F246 W288L11-V258 HydrophobicContact CB-CG1 4.26Å; H243-V258 CarbonylContact C-O 3.59Å; H243-V258 WeakPolarHBondContact CA-O 3.15Å; I244-V258 HydrophobicContact CB-CG2 3.89Å; I244-V258 HydrophobicContact CD1-CG2 4.24Å; I244-V258 HydrophobicContact CG1-CG2 4.41Å; I244-V258 PolarHBondContact N-O 3.48Å; I244-V258 PolarHBondContact O-N 3.21Å; F246-V258 HydrophobicContact CE2-CG2 4.09Å; V258-W288 HydrophobicContact CB-CZ3 4.19Å; V258-W288 HydrophobicContact CG2-CE3 4.2Å; V258-W288 HydrophobicContact CG2-CH2 4.25Å; V258-W288 HydrophobicContact CG2-CZ3 3.96Å
259A94.9Very high94.4Very high54 Ų5455.4 Ų55.445%0.44630%0.303SS..EExtended strand (participates in β ladder)trans-120139.5-176.800000110H243 W288H243-A259 VanDerWaalsContact CD2-CB 3.44Å; H243-A259 WeakPolarHBondContact CD2-CB 3.48Å; A259-W288 WeakPolarHBondContact O-CH2 3.21Å
260H92.8Very high94.4Very high14 Ų1456.8 Ų56.87%0.06531%0.31CS..  trans-71.4161.2162.3-59.973.1000109.1G242 T262 V266 S280 C282 W288G242-H260 PolarHBondContact O-N 3.25Å; G242-H260 PolarHBondContact O-ND1 3.42Å; H260-T262 PolarHBondContact O-N 2.8Å; H260-V266 VanDerWaalsContact CE1-CG2 3.48Å; H260-V266 WeakPolarHBondContact CE1-CG2 3.38Å; H260-S280 PolarHBondContact CE1-OG 3.25Å; H260-S280 PolarHBondContact NE2-OG 3.27Å; H260-C282 WeakPolarHBondContact CD2-CB 3.27Å; H260-C282 VanDerWaalsContact CG-SG 3.51Å; H260-C282 WeakPolarHBondContact NE2-CB 3.49Å; H260-W288 AromaticContact CD2-CZ2 3.5Å; H260-W288 AromaticContact CE1-CZ2 3.56Å; H260-W288 AromaticContact CG-CZ2 3.69Å; H260-W288 AromaticContact ND1-CZ2 3.71Å; H260-W288 AromaticContact NE2-CZ2 3.44Å; H260-W288 WeakPolarHBondContact NE2-CZ2 2.98Å; H260-W288 AromaticContact NE2-NE1 3.96Å
261E87.1Confident94.3Very high172 Ų17253.3 Ų53.380%0.80428%0.284SS*.SBendtrans-68.7-28.6173.5-63.2179.417500111.9
262T86Confident94.2Very high60 Ų6049.6 Ų49.637%0.36826%0.264SS..SBendtrans-98.1153.8176.562.50000111.7H260 F264H260-T262 PolarHBondContact O-N 2.8Å; T262-F264 HydrophobicContact CG2-CD2 4.3Å; T262-F264 HydrophobicContact CG2-CE2 4.39Å; T262-F264 PolarHBondContact O-N 2.89Å
263T89.1Confident93.9Very high115 Ų11552.6 Ų52.671%0.70628%0.282SS*.  trans-95.523.1-179.554.50000113.9
264F92.1Very high93.6Very high118 Ų11854.6 Ų54.652%0.51828%0.284SS..  trans-70.4149.1176.8-70.8-70.6000111.7G242 T262 V266 C282G242-F264 VanDerWaalsContact CA-O 3.26Å; G242-F264 WeakPolarHBondContact CA-O 3.35Å; G242-F264 PolarHBondContact N-O 2.71Å; T262-F264 HydrophobicContact CG2-CD2 4.3Å; T262-F264 HydrophobicContact CG2-CE2 4.39Å; T262-F264 PolarHBondContact O-N 2.89Å; F264-V266 PolarHBondContact O-N 3.13Å; F264-C282 PolarHBondContact O-SG 2.99Å
265P94.1Very high93.3Very high33 Ų3354.2 Ų54.221%0.21428%0.279CS..  trans-58.1134.4177.2-25.834.3000113.1E222 L224 T239 K267E222-P265 HydrophobicContact CG-CB 4.36Å; E222-P265 HydrophobicContact CG-CG 4.33Å; L224-P265 HydrophobicContact CD2-CB 4.37Å; T239-P265 WeakPolarHBondContact O-CA 3.47Å; P265-K267 HydrophobicContact CB-CG 4.4Å; P265-K267 PolarHBondContact O-N 3.43Å
266V95.6Very high93Very high0 Ų055.5 Ų55.50%029%0.285CS..  trans-90.683.2176.5-171.80000110.2G238 T239 H243 I244 H260 F264 S281 C282G238-V266 WeakPolarHBondContact CA-O 3.32Å; T239-V266 PolarHBondContact O-N 3.29Å; H243-V266 WeakPolarHBondContact O-CG2 3.3Å; I244-V266 HydrophobicContact CG1-CG1 4.14Å; H260-V266 VanDerWaalsContact CE1-CG2 3.48Å; H260-V266 WeakPolarHBondContact CE1-CG2 3.38Å; F264-V266 PolarHBondContact O-N 3.13Å; V266-S281 VanDerWaalsContact CA-O 3.24Å; V266-S281 WeakPolarHBondContact CA-O 3.11Å; V266-C282 HydrophobicContact CG2-CB 4.04Å
267K94.7Very high92.8Very high91 Ų9155.7 Ų55.740%0.39629%0.285SS..  trans-68.6-40-170.5-55.6-164.6-174.4-149.10114.3E222 L224 E225 P265 S281E222-K267 IonicContact OE1-NZ 2.75Å; E222-K267 WeakPolarHBondContact OE2-CE 3.4Å; E222-K267 IonicContact OE2-NZ 2.83Å; E222-K267 PolarHBondContact OE2-NZ 2.8Å; L224-K267 HydrophobicContact CD2-CB 4.46Å; L224-K267 HydrophobicContact CD2-CG 4.22Å; E225-K267 PolarHBondContact N-O 2.8Å; P265-K267 HydrophobicContact CB-CG 4.4Å; P265-K267 PolarHBondContact O-N 3.43Å; K267-S281 PolarHBondContact N-O 3.3Å; K267-S281 PolarHBondContact N-OG 3.41Å
268R95.5Very high92.8Very high30 Ų3051.5 Ų51.511%0.11327%0.265CS..  trans-136.5146.3177.9-179.6174.3-77-175.914.5110.8D26 F27 E225 F227 S280 S281D26-R268 VanDerWaalsContact OD1-CD 3.26Å; D26-R268 WeakPolarHBondContact OD1-CD 3.08Å; D26-R268 IonicContact OD1-CZ 3.55Å; D26-R268 IonicContact OD1-NE 2.76Å; D26-R268 PolarHBondContact OD1-NE 2.79Å; D26-R268 VanDerWaalsContact OD1-NE 3.1Å; D26-R268 IonicContact OD1-NH1 3.9Å; D26-R268 PolarHBondContact OD1-NH1 3.19Å; D26-R268 IonicContact OD1-NH2 3.14Å; D26-R268 PolarHBondContact OD1-NH2 3.02Å; D26-R268 IonicContact OD2-CZ 3.77Å; D26-R268 IonicContact OD2-NH1 2.94Å; D26-R268 PolarHBondContact OD2-NH1 2.88Å; D26-R268 IonicContact OD2-NH2 3.74Å; D26-R268 PolarHBondContact OD2-NH2 3.33Å; F27-R268 HydrophobicContact CE1-CB 3.8Å; F27-R268 HydrophobicContact CE1-CG 3.77Å; F27-R268 HydrophobicContact CZ-CB 4.27Å; F27-R268 HydrophobicContact CZ-CG 3.8Å; F27-R268 PolarHBondContact O-NH1 2.9Å; E225-R268 IonicContact OE1-CZ 3.64Å; E225-R268 IonicContact OE1-NE 3.41Å; E225-R268 PolarHBondContact OE1-NE 3.02Å; E225-R268 VanDerWaalsContact OE1-NE 3.14Å; E225-R268 IonicContact OE1-NH2 3.69Å; E225-R268 PolarHBondContact OE1-NH2 3.41Å; E225-R268 IonicContact OE2-CZ 3.66Å; E225-R268 IonicContact OE2-NE 3.72Å; E225-R268 IonicContact OE2-NH2 2.83Å; F227-R268 HydrophobicContact CE2-CG 3.9Å; F227-R268 HydrophobicContact CZ-CG 3.98Å; R268-S280 VanDerWaalsContact O-CA 3.31Å; R268-S280 WeakPolarHBondContact O-CA 3.49Å; R268-S281 PolarHBondContact N-OG 2.78Å; R268-S281 PolarHBondContact O-N 3.3Å; R268-S281 PolarHBondContact O-OG 3.31Å
269V96.3Very high92.8Very high0 Ų050.8 Ų50.80%026%0.261CS..EExtended strand (participates in β ladder)trans-144.9126.8177.253.50000109.2F227 I236 I244 L278 A279F227-V269 HydrophobicContact CD2-CG1 4.45Å; F227-V269 WeakPolarHBondContact CD2-O 3.43Å; F227-V269 WeakPolarHBondContact CE2-O 3.25Å; I236-V269 HydrophobicContact CB-CG1 4.46Å; I236-V269 HydrophobicContact CG2-CB 4.45Å; I236-V269 HydrophobicContact CG2-CG1 3.79Å; I236-V269 HydrophobicContact CG2-CG2 3.75Å; I244-V269 HydrophobicContact CD1-CG2 4.23Å; I244-V269 HydrophobicContact CG2-CG2 3.98Å; V269-L278 HydrophobicContact CG2-CD1 3.68Å; V269-L278 HydrophobicContact CG2-CD2 3.61Å; V269-L278 HydrophobicContact CG2-CG 3.73Å; V269-A279 CarbonylContact C-O 3.51Å; V269-A279 WeakPolarHBondContact CA-O 3.48Å
270Q95.4Very high92.8Very high59 Ų5948.2 Ų48.228%0.27624%0.24SC..EExtended strand (participates in β ladder)trans-139.9139.4-176.5-163.1-179.428.500111F27 F29 L278 A279F27-Q270 HydrophobicContact CE2-CB 3.96Å; F27-Q270 HydrophobicContact CZ-CB 4.43Å; F29-Q270 HydrophobicContact CD2-CB 4.21Å; F29-Q270 HydrophobicContact CD2-CG 3.99Å; F29-Q270 HydrophobicContact CE2-CB 4.01Å; F29-Q270 HydrophobicContact CE2-CG 4.24Å; F29-Q270 WeakPolarHBondContact CE2-O 3.41Å; Q270-L278 VanDerWaalsContact C-CD1 3.49Å; Q270-L278 WeakPolarHBondContact O-CA 3.37Å; Q270-L278 WeakPolarHBondContact O-CD1 3.5Å; Q270-A279 PolarHBondContact N-O 2.89Å; Q270-A279 PolarHBondContact O-N 2.91Å
271F94.9Very high92.9Very high15 Ų1548.2 Ų48.27%0.06624%0.241CC..EExtended strand (participates in β ladder)trans-77.6140.2166.6-89.1-79.2000110.6I3 L8 F29 P230 I236 F246 M277 L278I3-F271 HydrophobicContact CD1-CD1 4.46Å; I3-F271 HydrophobicContact CD1-CE1 4.15Å; I3-F271 HydrophobicContact CD1-CE2 4.26Å; I3-F271 HydrophobicContact CD1-CZ 4.05Å; L8-F271 HydrophobicContact CD2-CZ 3.8Å; F29-F271 WeakPolarHBondContact CD2-O 3.41Å; P230-F271 HydrophobicContact CG-CB 3.55Å; P230-F271 HydrophobicContact CG-CG 4.1Å; I236-F271 HydrophobicContact CD1-CD2 3.3Å; I236-F271 HydrophobicContact CD1-CE2 3.28Å; I236-F271 HydrophobicContact CG1-CE2 4.25Å; F246-F271 HydrophobicContact CE1-CE2 4.27Å; F246-F271 HydrophobicContact CE1-CZ 4.4Å; F271-M277 WeakPolarHBondContact CA-O 3.31Å; F271-M277 WeakPolarHBondContact CD1-O 3.48Å; F271-L278 HydrophobicContact CB-CD1 4.41Å; F271-L278 HydrophobicContact CD1-CD1 4.02Å; F271-L278 HydrophobicContact CD2-CD1 3.57Å; F271-L278 HydrophobicContact CE1-CB 4.45Å; F271-L278 HydrophobicContact CE1-CD1 4.12Å; F271-L278 HydrophobicContact CE2-CD1 3.69Å; F271-L278 HydrophobicContact CG-CD1 3.74Å; F271-L278 HydrophobicContact CZ-CD1 3.95Å
272N94.2Very high93.1Very high4 Ų440.2 Ų40.22%0.02120%0.204CC..  trans-64.6134.5165-175.4-71.2000109.1F29 G33 C50 K274 Y275 M277F29-N272 HydrophobicContact CD1-CB 4.15Å; F29-N272 WeakPolarHBondContact CD1-ND2 3.4Å; F29-N272 HydrophobicContact CD2-CB 4.49Å; F29-N272 HydrophobicContact CE1-CB 3.81Å; F29-N272 VanDerWaalsContact CE1-ND2 3.32Å; F29-N272 WeakPolarHBondContact CE1-ND2 3.4Å; F29-N272 HydrophobicContact CE2-CB 4.2Å; F29-N272 HydrophobicContact CG-CB 4.47Å; F29-N272 HydrophobicContact CZ-CB 3.84Å; G33-N272 PolarHBondContact O-ND2 2.91Å; G33-N272 PolarHBondContact O-OD1 2.52Å; C50-N272 PolarHBondContact SG-ND2 3.12Å; C50-N272 VanDerWaalsContact SG-ND2 3.44Å; N272-K274 VanDerWaalsContact C-N 3.25Å; N272-K274 PolarHBondContact O-N 3.09Å; N272-K274 WeakPolarHBondContact OD1-CA 3.37Å; N272-K274 PolarHBondContact OD1-N 2.86Å; N272-Y275 PolarHBondContact OD1-N 2.86Å; N272-M277 HydrophobicContact CB-CB 4.04Å; N272-M277 PolarHBondContact N-O 3.08Å
273P90.5Very high93.3Very high76 Ų7639.8 Ų39.849%0.49421%0.211SC..SBendtrans-73.9-13.3-176.328.4-34.7000114.1F29F29-P273 HydrophobicContact CB-CG 4.49Å
274K90.8Very high93.4Very high120 Ų12034.4 Ų34.452%0.52218%0.179SC..SBendtrans-115-45.2-175.8177.9166.5178.61700113.5D32 L34 N272D32-K274 WeakPolarHBondContact O-CB 3.44Å; D32-K274 WeakPolarHBondContact O-CD 3.14Å; L34-K274 HydrophobicContact CD2-CD 4.02Å; N272-K274 VanDerWaalsContact C-N 3.25Å; N272-K274 PolarHBondContact O-N 3.09Å; N272-K274 WeakPolarHBondContact OD1-CA 3.37Å; N272-K274 PolarHBondContact OD1-N 2.86Å
275Y90.5Very high93.4Very high61 Ų6128.8 Ų28.824%0.23915%0.154CC..SBendtrans-98.5147.8-179-57.4-63.9000110.1G33 L34 C50 K51 N272 M277G33-Y275 WeakPolarHBondContact O-CE2 3.48Å; L34-Y275 HydrophobicContact CD2-CE2 4.2Å; L34-Y275 WeakPolarHBondContact CD2-OH 3.46Å; C50-Y275 HydrophobicContact CB-CD2 4.14Å; C50-Y275 HydrophobicContact CB-CE2 4.32Å; K51-Y275 HydrophobicContact CB-CE2 4.16Å; N272-Y275 PolarHBondContact OD1-N 2.86Å; Y275-M277 PolarHBondContact O-N 2.75Å
276L90.7Very high93.4Very high35 Ų3527.3 Ų27.318%0.18314%0.144CC..SBendtrans-76.474.8173.6-173.860000109.6M1 I3 L7 P290 F293M1-L276 HydrophobicContact SD-CD2 3.87Å; I3-L276 HydrophobicContact CG1-CD1 4.18Å; L7-L276 HydrophobicContact CD1-CD1 4.08Å; L7-L276 HydrophobicContact CD1-CD2 3.34Å; L7-L276 HydrophobicContact CD1-CG 4.18Å; L7-L276 HydrophobicContact CD2-CD1 3.94Å; L7-L276 HydrophobicContact CD2-CD2 4.08Å; L7-L276 HydrophobicContact CD2-CG 4.13Å; L7-L276 HydrophobicContact CG-CD2 3.98Å; L276-P290 HydrophobicContact CD2-CG 3.82Å; L276-P290 HydrophobicContact CG-CG 3.89Å; L276-P290 VanDerWaalsContact O-CD 3.24Å; L276-P290 WeakPolarHBondContact O-CD 3.37Å; L276-F293 HydrophobicContact CD2-CE2 3.98Å
277M92.5Very high93.3Very high10 Ų1027.3 Ų27.35%0.04915%0.145CC..  trans-145.7144.4-168.1174.4-179.1-178.600108.9C50 F271 N272 Y275 F287 W288 V289C50-M277 HydrophobicContact CB-SD 4.25Å; F271-M277 WeakPolarHBondContact CA-O 3.31Å; F271-M277 WeakPolarHBondContact CD1-O 3.48Å; N272-M277 HydrophobicContact CB-CB 4.04Å; N272-M277 PolarHBondContact N-O 3.08Å; Y275-M277 PolarHBondContact O-N 2.75Å; M277-F287 HydrophobicContact CE-CB 3.96Å; M277-F287 HydrophobicContact CE-CD1 3.01Å; M277-F287 HydrophobicContact CE-CE1 3.53Å; M277-F287 HydrophobicContact CE-CG 3.74Å; M277-W288 CarbonylContact C-O 3.53Å; M277-W288 VanDerWaalsContact CA-O 3.31Å; M277-W288 WeakPolarHBondContact CA-O 3.39Å; M277-V289 HydrophobicContact CB-CG1 4.26Å; M277-V289 HydrophobicContact CG-CG1 4.2Å
278L94.8Very high93.3Very high0 Ų023.3 Ų23.30%013%0.127CC..EExtended strand (participates in β ladder)trans-119.4143.3176.5-167.878000108.9L11 I244 F246 V269 Q270 F271 F287 W288L11-L278 HydrophobicContact CD1-CD2 4.29Å; I244-L278 HydrophobicContact CD1-CD2 3.83Å; I244-L278 HydrophobicContact CG2-CD2 4.34Å; F246-L278 HydrophobicContact CE1-CD2 4.46Å; F246-L278 HydrophobicContact CZ-CD2 4.03Å; V269-L278 HydrophobicContact CG2-CD1 3.68Å; V269-L278 HydrophobicContact CG2-CD2 3.61Å; V269-L278 HydrophobicContact CG2-CG 3.73Å; Q270-L278 VanDerWaalsContact C-CD1 3.49Å; Q270-L278 WeakPolarHBondContact O-CA 3.37Å; Q270-L278 WeakPolarHBondContact O-CD1 3.5Å; F271-L278 HydrophobicContact CB-CD1 4.41Å; F271-L278 HydrophobicContact CD1-CD1 4.02Å; F271-L278 HydrophobicContact CD2-CD1 3.57Å; F271-L278 HydrophobicContact CE1-CB 4.45Å; F271-L278 HydrophobicContact CE1-CD1 4.12Å; F271-L278 HydrophobicContact CE2-CD1 3.69Å; F271-L278 HydrophobicContact CG-CD1 3.74Å; F271-L278 HydrophobicContact CZ-CD1 3.95Å; L278-F287 WeakPolarHBondContact O-CA 3.42Å; L278-W288 HydrophobicContact CB-CB 4.01Å; L278-W288 HydrophobicContact CB-CG 4.35Å; L278-W288 HydrophobicContact CD2-CG 4.4Å; L278-W288 PolarHBondContact N-O 3.12Å; L278-W288 PolarHBondContact O-N 2.93Å
279A95.7Very high93.2Very high0 Ų022.7 Ų22.70%013%0.127CC..EExtended strand (participates in β ladder)trans-116145.4165.400000110F27 F29 L36 V269 Q270 L285 N286 F287F27-A279 HydrophobicContact CD2-CB 4.16Å; F27-A279 HydrophobicContact CE2-CB 3.57Å; F27-A279 HydrophobicContact CZ-CB 4.07Å; F27-A279 WeakPolarHBondContact CZ-O 3.49Å; F29-A279 HydrophobicContact CE1-CB 4.48Å; F29-A279 HydrophobicContact CE2-CB 3.97Å; F29-A279 HydrophobicContact CZ-CB 3.53Å; L36-A279 HydrophobicContact CD1-CB 3.69Å; V269-A279 CarbonylContact C-O 3.51Å; V269-A279 WeakPolarHBondContact CA-O 3.48Å; Q270-A279 PolarHBondContact N-O 2.89Å; Q270-A279 PolarHBondContact O-N 2.91Å; A279-L285 HydrophobicContact CB-CD1 4.33Å; A279-N286 CarbonylContact C-O 3.58Å; A279-N286 WeakPolarHBondContact CA-O 3.44Å; A279-F287 HydrophobicContact CB-CD1 4.19Å; A279-F287 HydrophobicContact CB-CE1 4.39Å
280S96.3Very high93Very high0 Ų022.8 Ų22.80%013%0.127CC..EExtended strand (participates in β ladder)trans-140.5149.8176.556.60000112.2H260 R268 N286 W288H260-S280 PolarHBondContact CE1-OG 3.25Å; H260-S280 PolarHBondContact NE2-OG 3.27Å; R268-S280 VanDerWaalsContact O-CA 3.31Å; R268-S280 WeakPolarHBondContact O-CA 3.49Å; S280-N286 PolarHBondContact N-O 3.1Å; S280-N286 PolarHBondContact O-N 2.92Å; S280-N286 WeakPolarHBondContact OG-CB 3.31Å; S280-W288 PolarHBondContact OG-NE1 2.63Å
281S93.9Very high92.7Very high14 Ų1424.6 Ų24.610%0.09813%0.134CC..EExtended strand (participates in β ladder)trans-96.6104.1173.262.40000110V266 K267 R268 G284V266-S281 VanDerWaalsContact CA-O 3.24Å; V266-S281 WeakPolarHBondContact CA-O 3.11Å; K267-S281 PolarHBondContact N-O 3.3Å; K267-S281 PolarHBondContact N-OG 3.41Å; R268-S281 PolarHBondContact N-OG 2.78Å; R268-S281 PolarHBondContact O-N 3.3Å; R268-S281 PolarHBondContact O-OG 3.31Å; S281-G284 CarbonylContact C-O 3.59Å; S281-G284 WeakPolarHBondContact CA-O 3.49Å
282C92.7Very high92.3Very high3 Ų331.2 Ų31.22%0.0217%0.165CC..SBendtrans-147.9102.8177.9-179.40000108.4H260 F264 V266 G284 N286H260-C282 WeakPolarHBondContact CD2-CB 3.27Å; H260-C282 VanDerWaalsContact CG-SG 3.51Å; H260-C282 WeakPolarHBondContact NE2-CB 3.49Å; F264-C282 PolarHBondContact O-SG 2.99Å; V266-C282 HydrophobicContact CG2-CB 4.04Å; C282-G284 PolarHBondContact N-O 2.86Å; C282-G284 PolarHBondContact O-N 2.89Å; C282-N286 PolarHBondContact N-ND2 2.95Å; C282-N286 PolarHBondContact O-ND2 3.05Å
283G88.5Confident91.8Very high51 Ų5136.5 Ų36.553%0.52619%0.188SC..SBendtrans63.6-10.7-170.900000115.4
284G91.1Very high91.3Very high2 Ų235.4 Ų35.42%0.02118%0.18CC..SBendtrans172-165.6-173.200000109.4L24 S281 C282 N286L24-G284 WeakPolarHBondContact CD2-O 3.29Å; S281-G284 CarbonylContact C-O 3.59Å; S281-G284 WeakPolarHBondContact CA-O 3.49Å; C282-G284 PolarHBondContact N-O 2.86Å; C282-G284 PolarHBondContact O-N 2.89Å; G284-N286 PolarHBondContact O-ND2 2.96Å; G284-N286 VanDerWaalsContact O-ND2 3.1Å
285L92.6Very high90.2Very high0 Ų038.1 Ų38.10%020%0.195CC..EExtended strand (participates in β ladder)trans-92.5123.7176.2-177.967.4000110D17 L24 F27 L36 C38 Y48 A279 F287D17-L285 HydrophobicContact CB-CB 4.44Å; D17-L285 PolarHBondContact N-O 3.22Å; D17-L285 PolarHBondContact O-N 3.22Å; D17-L285 VanDerWaalsContact O-N 3.14Å; L24-L285 HydrophobicContact CD2-CB 4.09Å; L24-L285 HydrophobicContact CD2-CD1 4.22Å; F27-L285 HydrophobicContact CB-CD1 4.22Å; F27-L285 HydrophobicContact CD1-CD1 4.03Å; F27-L285 HydrophobicContact CD2-CD1 4.28Å; F27-L285 HydrophobicContact CE1-CD1 4.48Å; F27-L285 HydrophobicContact CG-CD1 3.91Å; L36-L285 HydrophobicContact CD1-CD1 4.3Å; L36-L285 HydrophobicContact CD2-CD1 4.29Å; L36-L285 HydrophobicContact CD2-CD2 3.4Å; L36-L285 HydrophobicContact CD2-CG 4.48Å; C38-L285 HydrophobicContact CB-CD2 4.48Å; Y48-L285 HydrophobicContact CD2-CD2 4.14Å; Y48-L285 HydrophobicContact CE2-CD2 3.92Å; A279-L285 HydrophobicContact CB-CD1 4.33Å; L285-F287 HydrophobicContact CD2-CE1 4.31Å; L285-F287 HydrophobicContact CD2-CE2 3.76Å; L285-F287 HydrophobicContact CD2-CZ 3.48Å; L285-F287 VanDerWaalsContact CD2-CZ 3.48Å; L285-F287 HydrophobicContact CG-CE2 3.96Å; L285-F287 HydrophobicContact CG-CZ 3.97Å
286N93.6Very high88.5Confident2 Ų241 Ų411%0.01121%0.214CC..EExtended strand (participates in β ladder)trans-119.1140-174.8-65.7-87.8000110.1L13 K15 A279 S280 C282 G284L13-N286 HydrophobicContact CD1-CB 3.63Å; K15-N286 WeakPolarHBondContact O-CA 3.22Å; A279-N286 CarbonylContact C-O 3.58Å; A279-N286 WeakPolarHBondContact CA-O 3.44Å; S280-N286 PolarHBondContact N-O 3.1Å; S280-N286 PolarHBondContact O-N 2.92Å; S280-N286 WeakPolarHBondContact OG-CB 3.31Å; C282-N286 PolarHBondContact N-ND2 2.95Å; C282-N286 PolarHBondContact O-ND2 3.05Å; G284-N286 PolarHBondContact O-ND2 2.96Å; G284-N286 VanDerWaalsContact O-ND2 3.1Å
287F93.6Very high86.4Confident1 Ų144.4 Ų44.40%0.00424%0.241CC..EExtended strand (participates in β ladder)trans-120.6132.1-179.2-64.6-76.9000111.4L13 I14 K15 L36 Y48 M277 L278 A279 L285L13-F287 WeakPolarHBondContact CA-O 3.41Å; I14-F287 HydrophobicContact CD1-CB 4.46Å; I14-F287 HydrophobicContact CG1-CB 4.07Å; I14-F287 VanDerWaalsContact CG1-O 3.28Å; I14-F287 WeakPolarHBondContact CG1-O 3.33Å; I14-F287 PolarHBondContact N-O 3.07Å; K15-F287 HydrophobicContact CB-CB 4.32Å; K15-F287 HydrophobicContact CB-CD2 3.9Å; K15-F287 HydrophobicContact CD-CD2 4.11Å; K15-F287 HydrophobicContact CD-CE2 4.25Å; K15-F287 HydrophobicContact CG-CD2 3.98Å; K15-F287 HydrophobicContact CG-CE2 4.47Å; K15-F287 PolarHBondContact O-N 3.33Å; L36-F287 HydrophobicContact CD1-CE1 3.95Å; L36-F287 HydrophobicContact CD1-CZ 4.49Å; L36-F287 HydrophobicContact CD2-CZ 4.49Å; Y48-F287 HydrophobicContact CG-CZ 4.42Å; M277-F287 HydrophobicContact CE-CB 3.96Å; M277-F287 HydrophobicContact CE-CD1 3.01Å; M277-F287 HydrophobicContact CE-CE1 3.53Å; M277-F287 HydrophobicContact CE-CG 3.74Å; L278-F287 WeakPolarHBondContact O-CA 3.42Å; A279-F287 HydrophobicContact CB-CD1 4.19Å; A279-F287 HydrophobicContact CB-CE1 4.39Å; L285-F287 HydrophobicContact CD2-CE1 4.31Å; L285-F287 HydrophobicContact CD2-CE2 3.76Å; L285-F287 HydrophobicContact CD2-CZ 3.48Å; L285-F287 VanDerWaalsContact CD2-CZ 3.48Å; L285-F287 HydrophobicContact CG-CE2 3.96Å; L285-F287 HydrophobicContact CG-CZ 3.97Å
288W94.8Very high84.2Confident6 Ų651 Ų512%0.02328%0.277CS..EExtended strand (participates in β ladder)trans-121.4137.9-178.9-45.771.4000111.3L11 R12 L13 I244 V258 A259 H260 M277 L278 S280L11-W288 HydrophobicContact CB-CB 4.37Å; L11-W288 HydrophobicContact CB-CE3 4.34Å; L11-W288 HydrophobicContact CD2-CB 4.3Å; R12-W288 VanDerWaalsContact O-CA 3.24Å; R12-W288 WeakPolarHBondContact O-CA 3.2Å; L13-W288 HydrophobicContact CB-CE3 4.15Å; L13-W288 HydrophobicContact CB-CH2 4.2Å; L13-W288 HydrophobicContact CB-CZ3 3.99Å; L13-W288 HydrophobicContact CD1-CD2 4.31Å; L13-W288 HydrophobicContact CD1-CH2 4.45Å; L13-W288 HydrophobicContact CD1-CZ2 4.02Å; I244-W288 HydrophobicContact CD1-CD2 4.5Å; I244-W288 HydrophobicContact CD1-CZ2 3.98Å; V258-W288 HydrophobicContact CB-CZ3 4.19Å; V258-W288 HydrophobicContact CG2-CE3 4.2Å; V258-W288 HydrophobicContact CG2-CH2 4.25Å; V258-W288 HydrophobicContact CG2-CZ3 3.96Å; A259-W288 WeakPolarHBondContact O-CH2 3.21Å; H260-W288 AromaticContact CD2-CZ2 3.5Å; H260-W288 AromaticContact CE1-CZ2 3.56Å; H260-W288 AromaticContact CG-CZ2 3.69Å; H260-W288 AromaticContact ND1-CZ2 3.71Å; H260-W288 AromaticContact NE2-CZ2 3.44Å; H260-W288 WeakPolarHBondContact NE2-CZ2 2.98Å; H260-W288 AromaticContact NE2-NE1 3.96Å; M277-W288 CarbonylContact C-O 3.53Å; M277-W288 VanDerWaalsContact CA-O 3.31Å; M277-W288 WeakPolarHBondContact CA-O 3.39Å; L278-W288 HydrophobicContact CB-CB 4.01Å; L278-W288 HydrophobicContact CB-CG 4.35Å; L278-W288 HydrophobicContact CD2-CG 4.4Å; L278-W288 PolarHBondContact N-O 3.12Å; L278-W288 PolarHBondContact O-N 2.93Å; S280-W288 PolarHBondContact OG-NE1 2.63Å
289V93.2Very high81.6Confident18 Ų1858.7 Ų58.711%0.10932%0.318CS..EExtended strand (participates in β ladder)trans-135153.6169.8-63.10000109.6R12 I14 M277 F293 V294R12-V289 PolarHBondContact N-O 2.99Å; R12-V289 PolarHBondContact O-N 2.83Å; I14-V289 HydrophobicContact CB-CG2 4.37Å; I14-V289 HydrophobicContact CD1-CB 4.4Å; I14-V289 HydrophobicContact CD1-CG1 3.67Å; I14-V289 HydrophobicContact CD1-CG2 3.85Å; I14-V289 HydrophobicContact CG1-CG1 4.42Å; I14-V289 HydrophobicContact CG1-CG2 4.13Å; I14-V289 HydrophobicContact CG2-CG2 3.43Å; I14-V289 VanDerWaalsContact CG2-CG2 3.43Å; M277-V289 HydrophobicContact CB-CG1 4.26Å; M277-V289 HydrophobicContact CG-CG1 4.2Å; V289-F293 HydrophobicContact CG2-CB 4.43Å; V289-V294 HydrophobicContact CG2-CG2 3.92Å
290P91.9Very high78.7Confident2 Ų266.7 Ų66.71%0.01336%0.355CS..EExtended strand (participates in β ladder)trans-57.8141.1171.9-24.933.3000111.5L7 N10 L11 L276 Q292 F293L7-P290 HydrophobicContact CD2-CG 3.65Å; L7-P290 HydrophobicContact CG-CB 4.33Å; L7-P290 HydrophobicContact CG-CG 3.85Å; N10-P290 CarbonylContact O-C 3.55Å; L11-P290 HydrophobicContact CD2-CG 4.12Å; L276-P290 HydrophobicContact CD2-CG 3.82Å; L276-P290 HydrophobicContact CG-CG 3.89Å; L276-P290 VanDerWaalsContact O-CD 3.24Å; L276-P290 WeakPolarHBondContact O-CD 3.37Å; P290-Q292 HydrophobicContact CB-CG 4.12Å; P290-Q292 PolarHBondContact O-N 3.26Å; P290-F293 HydrophobicContact CB-CD2 3.88Å; P290-F293 HydrophobicContact CB-CE2 4.12Å; P290-F293 HydrophobicContact CG-CD2 3.96Å; P290-F293 HydrophobicContact CG-CE2 3.97Å; P290-F293 PolarHBondContact O-N 3.41Å
291K89.9Confident76Confident97 Ų9777.9 Ų77.942%0.42240%0.399SS..G310 helixtrans-47.6-38.4-177.5-170.4-172.7176.9-169.30113.2N10 R12 F293 V294N10-K291 HydrophobicContact CB-CB 4.35Å; N10-K291 PolarHBondContact O-N 3.02Å; R12-K291 HydrophobicContact CG-CB 3.96Å; R12-K291 HydrophobicContact CG-CG 4.2Å; K291-F293 PolarHBondContact O-N 3.01Å; K291-V294 WeakPolarHBondContact O-CB 3.26Å; K291-V294 PolarHBondContact O-N 3.3Å
292Q86Confident73Confident153 Ų15384.7 Ų84.772%0.71547%0.471SS*.G310 helixtrans-59.9-14179.568.3-177.344.500115.2P290P290-Q292 HydrophobicContact CB-CG 4.12Å; P290-Q292 PolarHBondContact O-N 3.26Å
293F83.4Confident72.1Confident115 Ų11588.8 Ų88.850%0.50449%0.494SS..G310 helixtrans-100.90.2175.4-61.1-69.4000113.1L276 V289 P290 K291L276-F293 HydrophobicContact CD2-CE2 3.98Å; V289-F293 HydrophobicContact CG2-CB 4.43Å; P290-F293 HydrophobicContact CB-CD2 3.88Å; P290-F293 HydrophobicContact CB-CE2 4.12Å; P290-F293 HydrophobicContact CG-CD2 3.96Å; P290-F293 HydrophobicContact CG-CE2 3.97Å; P290-F293 PolarHBondContact O-N 3.41Å; K291-F293 PolarHBondContact O-N 3.01Å
294V80.8Confident71.2Confident54 Ų5490.7 Ų90.733%0.32749%0.492SS..SBendtrans-93117.6172.5-173.10000106.2R12 I14 V289 K291 D296R12-V294 HydrophobicContact CB-CG2 4.38Å; I14-V294 HydrophobicContact CG2-CG2 3.75Å; V289-V294 HydrophobicContact CG2-CG2 3.92Å; K291-V294 WeakPolarHBondContact O-CB 3.26Å; K291-V294 PolarHBondContact O-N 3.3Å; V294-D296 PolarHBondContact O-N 2.75Å
295E67.4Low70.1Confident176 Ų17695.7 Ų95.782%0.82252%0.518SS*.  trans-66.5117.2170.6-69.1176.6-179.500107.4S297E295-S297 PolarHBondContact O-N 2.83Å; E295-S297 PolarHBondContact O-OG 2.93Å
296D54.5Low68.8Low121 Ų121101.3 Ų101.365%0.64755%0.549SS*.  trans-60.9104.7172.8-71.4-38.3000107V294 D298V294-D296 PolarHBondContact O-N 2.75Å; D296-D298 VanDerWaalsContact C-N 3.3Å
297S48.4Very low67.2Low107 Ų107107.5 Ų107.575%0.74858%0.582SS**  trans-94.313.7177.423.70000112.2E295E295-S297 PolarHBondContact O-N 2.83Å; E295-S297 PolarHBondContact O-OG 2.93Å
298D45.1Very low65.5Low150 Ų150114.6 Ų114.680%0.80262%0.621SS**  trans-105.721.5-170.7-71.8-23.8000114.6D296D296-D298 VanDerWaalsContact C-N 3.3Å
299D40.9Very low63.4Low161 Ų161122.4 Ų122.486%0.86166%0.664SS**  trans-107.626.2174.9-80.7-18000114.2
300E33.7Very low61.1Low167 Ų167130.4 Ų130.478%0.7871%0.706SS**SBendtrans-126.697163.3-82.2-172162.800109
301Y39.9Very low58.5Low235 Ų235141.1 Ų141.192%0.92276%0.764SS**  trans15294.6149.1-78.7-63.6000110.4
302G31.9Very low55.6Low157 Ų157145.1 Ų145.1100%1.61980%0.795SS**  trans89.50148.400000118.1

Retrieved 302 of 302 residues in 54.9 ms (Link to these results)

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