A0A087XT88_POEFO Loading...

Dishevelled segment polarity protein 3a

AlphaFold DB , UniProt , Accession A0A087XT88, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 686 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
1M54.7Low85.8Confident244 Ų24456.9 Ų56.9100%1.20229%0.294SS*.  0140.60-69.6165.1172.200107.5
2G75.8Confident84.8Confident39 Ų3966.3 Ų66.340%0.40235%0.345SS..PPolyproline II helixtrans-86127.2173.900000110.4V23G2-V23 CarbonylContact O-C 3.53Å
3E85.9Confident84.6Confident88 Ų8867.8 Ų67.841%0.41135%0.349SS..PPolyproline II helixtrans-101.5138.5166.652.5165-177.800109.6K5 K20 L21E3-K5 VanDerWaalsContact CD-CE 3.48Å; E3-K5 WeakPolarHBondContact OE1-CE 3.31Å; E3-K5 IonicContact OE1-NZ 2.62Å; E3-K5 PolarHBondContact OE1-NZ 2.88Å; E3-K20 WeakPolarHBondContact OE2-CD 3.48Å; E3-K20 IonicContact OE2-NZ 2.8Å; E3-L21 WeakPolarHBondContact CA-O 3.48Å
4T91.2Very high83.8Confident0 Ų075.1 Ų75.10%038%0.381CS..EExtended strand (participates in β ladder)trans-101.1134.5170.4-60.40000109.8I6 K20 L21 V23 A25 V28 V74T4-I6 HydrophobicContact CG2-CG1 4.2Å; T4-K20 WeakPolarHBondContact O-CA 3.11Å; T4-L21 PolarHBondContact N-O 2.91Å; T4-L21 PolarHBondContact O-N 3.49Å; T4-V23 WeakPolarHBondContact CB-O 3.38Å; T4-V23 PolarHBondContact N-O 2.98Å; T4-V23 PolarHBondContact OG1-O 3.23Å; T4-A25 VanDerWaalsContact OG1-CA 3.27Å; T4-A25 WeakPolarHBondContact OG1-CA 3.35Å; T4-A25 PolarHBondContact OG1-N 3.42Å; T4-A25 VanDerWaalsContact OG1-N 3.15Å; T4-V28 HydrophobicContact CG2-CB 4.32Å; T4-V28 HydrophobicContact CG2-CG1 4.14Å; T4-V28 HydrophobicContact CG2-CG2 4.18Å; T4-V74 HydrophobicContact CG2-CG2 3.95Å
5K92.1Very high83.8Confident64 Ų6477.4 Ų77.428%0.27840%0.4SS..EExtended strand (participates in β ladder)trans-105.8103.5179.5-78.1160.2-175.2146.50110.2E3 L18 K20 G72 R73 V74E3-K5 VanDerWaalsContact CD-CE 3.48Å; E3-K5 WeakPolarHBondContact OE1-CE 3.31Å; E3-K5 IonicContact OE1-NZ 2.62Å; E3-K5 PolarHBondContact OE1-NZ 2.88Å; K5-L18 HydrophobicContact CB-CD1 3.86Å; K5-L18 HydrophobicContact CG-CD1 4.2Å; K5-K20 HydrophobicContact CG-CG 4.3Å; K5-G72 PolarHBondContact N-O 2.7Å; K5-G72 VanDerWaalsContact N-O 3.08Å; K5-R73 HydrophobicContact CB-CG 4.35Å; K5-R73 CarbonylContact O-C 3.56Å; K5-R73 VanDerWaalsContact O-CA 3.23Å; K5-R73 WeakPolarHBondContact O-CA 3.4Å; K5-V74 PolarHBondContact O-N 3.44Å
6I93.3Very high84.3Confident0 Ų076.4 Ų76.40%040%0.4CS..EExtended strand (participates in β ladder)trans-93.1110.6176.4-50.5-167.8000108.4T4 V19 L21 V28 F33 L67 V74T4-I6 HydrophobicContact CG2-CG1 4.2Å; I6-V19 PolarHBondContact N-O 2.88Å; I6-V19 PolarHBondContact O-N 2.9Å; I6-L21 HydrophobicContact CD1-CD1 3.47Å; I6-L21 VanDerWaalsContact CD1-CD1 3.47Å; I6-L21 HydrophobicContact CD1-CG 4.2Å; I6-L21 HydrophobicContact CG1-CD1 4.21Å; I6-L21 HydrophobicContact CG1-CG 4.49Å; I6-V28 HydrophobicContact CD1-CG2 4.36Å; I6-F33 HydrophobicContact CB-CD2 4.43Å; I6-F33 HydrophobicContact CB-CE2 4.33Å; I6-F33 HydrophobicContact CD1-CB 3.74Å; I6-F33 HydrophobicContact CD1-CD1 4.27Å; I6-F33 HydrophobicContact CD1-CD2 3.74Å; I6-F33 HydrophobicContact CD1-CE2 4.44Å; I6-F33 HydrophobicContact CD1-CG 3.66Å; I6-F33 HydrophobicContact CG2-CD1 4.34Å; I6-F33 HydrophobicContact CG2-CD2 4.1Å; I6-F33 HydrophobicContact CG2-CE1 4Å; I6-F33 HydrophobicContact CG2-CE2 3.77Å; I6-F33 HydrophobicContact CG2-CG 4.39Å; I6-F33 HydrophobicContact CG2-CZ 3.73Å; I6-L67 HydrophobicContact CD1-CD1 3.71Å; I6-V74 HydrophobicContact CB-CB 4.45Å; I6-V74 HydrophobicContact CG1-CB 4.09Å; I6-V74 HydrophobicContact CG1-CG2 4.4Å; I6-V74 HydrophobicContact CG2-CB 4.27Å; I6-V74 HydrophobicContact CG2-CG1 4.3Å
7I93.1Very high84.7Confident42 Ų4277.9 Ų77.922%0.21540%0.4CS..EExtended strand (participates in β ladder)trans-89.9123.5171.1-59.8171.3000106.5P16 Y17 L18 V74 V75 S76I7-P16 HydrophobicContact CG2-CB 3.71Å; I7-P16 HydrophobicContact CG2-CG 4.22Å; I7-Y17 CarbonylContact C-O 3.57Å; I7-Y17 VanDerWaalsContact CA-O 3.3Å; I7-Y17 WeakPolarHBondContact CA-O 3.33Å; I7-L18 HydrophobicContact CG1-CD1 3.95Å; I7-V74 PolarHBondContact N-O 2.88Å; I7-V75 CarbonylContact O-C 3.28Å; I7-V75 WeakPolarHBondContact O-CA 3.34Å; I7-S76 PolarHBondContact O-N 3.27Å
8Y92.7Very high85.1Confident30 Ų3079.1 Ų79.112%0.11841%0.407CS..EExtended strand (participates in β ladder)trans-135.2139.1-179.174.1-93.2000113.4L10 P16 Y17 V19 F33 L37 S76 L78Y8-L10 HydrophobicContact CE2-CD1 4.46Å; Y8-P16 WeakPolarHBondContact O-CA 3.44Å; Y8-Y17 HydrophobicContact CD2-CD2 4.18Å; Y8-Y17 VanDerWaalsContact CE1-CB 3.48Å; Y8-Y17 HydrophobicContact CE1-CG 4.4Å; Y8-Y17 AromaticContact CE2-CD2 3.58Å; Y8-Y17 HydrophobicContact CE2-CD2 3.58Å; Y8-Y17 AromaticContact CE2-CG 3.85Å; Y8-Y17 HydrophobicContact CE2-CG 3.85Å; Y8-Y17 AromaticContact CZ-CD2 4Å; Y8-Y17 AromaticContact CZ-CG 3.75Å; Y8-Y17 PolarHBondContact N-O 2.7Å; Y8-Y17 PolarHBondContact O-N 3.07Å; Y8-V19 HydrophobicContact CE1-CB 4.39Å; Y8-V19 HydrophobicContact CE1-CG2 3.82Å; Y8-F33 AromaticContact CD1-CE2 3.81Å; Y8-F33 HydrophobicContact CD1-CE2 3.81Å; Y8-F33 AromaticContact CD1-CZ 3.77Å; Y8-F33 HydrophobicContact CD1-CZ 3.77Å; Y8-F33 HydrophobicContact CE1-CE2 4.24Å; Y8-F33 HydrophobicContact CG-CE2 4.36Å; Y8-F33 AromaticContact CG-CZ 3.86Å; Y8-F33 HydrophobicContact CG-CZ 3.86Å; Y8-L37 HydrophobicContact CE1-CD1 4.46Å; Y8-L37 HydrophobicContact CE2-CD1 4.05Å; Y8-S76 WeakPolarHBondContact CA-O 3.17Å; Y8-L78 HydrophobicContact CD2-CD1 4.3Å; Y8-L78 HydrophobicContact CD2-CD2 3.84Å; Y8-L78 HydrophobicContact CE2-CD2 4.15Å; Y8-L78 HydrophobicContact CG-CD1 4.43Å
9H91Very high85.4Confident42 Ų4276.1 Ų76.119%0.19439%0.393CS..EExtended strand (participates in β ladder)trans-95.2146170.9-4678.6000108.1S76 W77 L78H9-S76 PolarHBondContact N-O 3.16Å; H9-S76 PolarHBondContact ND1-O 2.82Å; H9-W77 HydrophobicContact CB-CG 4.34Å; H9-W77 AromaticContact CE1-CE2 3.93Å; H9-W77 AromaticContact CE1-NE1 3.65Å; H9-W77 AromaticContact CG-CD1 3.62Å; H9-W77 AromaticContact CG-NE1 3.63Å; H9-W77 AromaticContact ND1-CD1 3.47Å; H9-W77 AromaticContact ND1-CE2 3.67Å; H9-W77 AromaticContact ND1-CG 3.98Å; H9-W77 AromaticContact ND1-NE1 3.23Å; H9-W77 PolarHBondContact ND1-NE1 2.87Å; H9-L78 PolarHBondContact O-N 3.16Å
10L89.6Confident85.7Confident13 Ų1378.8 Ų78.87%0.06840%0.401CS..EExtended strand (participates in β ladder)trans-121.2113-179.9-168.794.5000108.5Y8 D12 Q13 Y17 Y42 L78Y8-L10 HydrophobicContact CE2-CD1 4.46Å; L10-D12 PolarHBondContact O-N 2.98Å; L10-Q13 WeakPolarHBondContact O-CB 3.25Å; L10-Q13 VanDerWaalsContact O-CG 3.3Å; L10-Q13 WeakPolarHBondContact O-CG 3.29Å; L10-Q13 PolarHBondContact O-N 3.49Å; L10-Q13 VanDerWaalsContact O-N 3.15Å; L10-Y17 HydrophobicContact CB-CD2 4.45Å; L10-Y17 HydrophobicContact CB-CE2 4.16Å; L10-Y42 HydrophobicContact CD1-CD1 4.36Å; L10-Y42 HydrophobicContact CD1-CE1 3.67Å; L10-Y42 HydrophobicContact CG-CE1 4.22Å; L10-L78 HydrophobicContact CD1-CB 4.02Å; L10-L78 HydrophobicContact CD1-CD2 3.9Å
11D84.4Confident85.9Confident64 Ų6475.2 Ų75.234%0.34238%0.383SS..THydrogen-bonded Turntrans49.1-130.5-177.3-49.9-66.7000110.5Q13 L78 S80D11-Q13 VanDerWaalsContact C-N 3.29Å; D11-Q13 PolarHBondContact O-N 3.43Å; D11-L78 PolarHBondContact N-O 2.86Å; D11-S80 VanDerWaalsContact CG-OG 3.29Å; D11-S80 WeakPolarHBondContact OD1-CB 3.29Å; D11-S80 PolarHBondContact OD1-N 3.22Å; D11-S80 PolarHBondContact OD1-OG 2.89Å; D11-S80 PolarHBondContact OD2-OG 2.79Å; D11-S80 VanDerWaalsContact OD2-OG 3.13Å
12D73.3Confident87.5Confident170 Ų17069.4 Ų69.491%0.90936%0.363SS*.THydrogen-bonded Turntrans-83.516.8-177.6-61.6-50.6000115.3L10 E14L10-D12 PolarHBondContact O-N 2.98Å; D12-E14 PolarHBondContact O-N 3.26Å
13Q82.6Confident88Confident85 Ų8569 Ų6940%0.39735%0.353SS..  trans-79.8117.6-174.1-64.6-174.21700113.8L10 D11 T15 Y17L10-Q13 WeakPolarHBondContact O-CB 3.25Å; L10-Q13 VanDerWaalsContact O-CG 3.3Å; L10-Q13 WeakPolarHBondContact O-CG 3.29Å; L10-Q13 PolarHBondContact O-N 3.49Å; L10-Q13 VanDerWaalsContact O-N 3.15Å; D11-Q13 VanDerWaalsContact C-N 3.29Å; D11-Q13 PolarHBondContact O-N 3.43Å; Q13-T15 VanDerWaalsContact C-N 3.31Å; Q13-T15 PolarHBondContact O-N 3.07Å; Q13-Y17 VanDerWaalsContact OE1-CE2 3.31Å; Q13-Y17 PolarHBondContact OE1-OH 3.28Å
14E72.8Confident88.1Confident171 Ų17167 Ų6780%0.79935%0.348SS*.SBendtrans-62.4-30.6179.3-172.2-179.6-172.100113.7D12 P16D12-E14 PolarHBondContact O-N 3.26Å; E14-P16 WeakPolarHBondContact O-CD 3.32Å
15T84.9Confident87.7Confident109 Ų10967.9 Ų67.967%0.66936%0.355SS*.SBendtrans-92.1113.3179.2-62.60000111.1Q13Q13-T15 VanDerWaalsContact C-N 3.31Å; Q13-T15 PolarHBondContact O-N 3.07Å
16P91.7Very high87.3Confident61 Ų6170.2 Ų70.240%0.39637%0.371SS..  trans-74.9141.6177.329.1-34.1000112.6I7 Y8 E14I7-P16 HydrophobicContact CG2-CB 3.71Å; I7-P16 HydrophobicContact CG2-CG 4.22Å; Y8-P16 WeakPolarHBondContact O-CA 3.44Å; E14-P16 WeakPolarHBondContact O-CD 3.32Å
17Y89.9Confident87Confident102 Ų10277.4 Ų77.440%0.440%0.402SS..EExtended strand (participates in β ladder)trans-80.2156170.4-64.9-81.8000111.5I7 Y8 L10 Q13I7-Y17 CarbonylContact C-O 3.57Å; I7-Y17 VanDerWaalsContact CA-O 3.3Å; I7-Y17 WeakPolarHBondContact CA-O 3.33Å; Y8-Y17 HydrophobicContact CD2-CD2 4.18Å; Y8-Y17 VanDerWaalsContact CE1-CB 3.48Å; Y8-Y17 HydrophobicContact CE1-CG 4.4Å; Y8-Y17 AromaticContact CE2-CD2 3.58Å; Y8-Y17 HydrophobicContact CE2-CD2 3.58Å; Y8-Y17 AromaticContact CE2-CG 3.85Å; Y8-Y17 HydrophobicContact CE2-CG 3.85Å; Y8-Y17 AromaticContact CZ-CD2 4Å; Y8-Y17 AromaticContact CZ-CG 3.75Å; Y8-Y17 PolarHBondContact N-O 2.7Å; Y8-Y17 PolarHBondContact O-N 3.07Å; L10-Y17 HydrophobicContact CB-CD2 4.45Å; L10-Y17 HydrophobicContact CB-CE2 4.16Å; Q13-Y17 VanDerWaalsContact OE1-CE2 3.31Å; Q13-Y17 PolarHBondContact OE1-OH 3.28Å
18L91.9Very high86.9Confident100 Ų10075.4 Ų75.452%0.52439%0.392SS..EExtended strand (participates in β ladder)trans-126.1115.2174.2173.362.6000110.9K5 I7K5-L18 HydrophobicContact CB-CD1 3.86Å; K5-L18 HydrophobicContact CG-CD1 4.2Å; I7-L18 HydrophobicContact CG1-CD1 3.95Å
19V92.1Very high86.9Confident22 Ų2275.3 Ų75.313%0.13339%0.394CS..EExtended strand (participates in β ladder)trans-99.9141.4167.4154.80000110I6 Y8 L21 V36I6-V19 PolarHBondContact N-O 2.88Å; I6-V19 PolarHBondContact O-N 2.9Å; Y8-V19 HydrophobicContact CE1-CB 4.39Å; Y8-V19 HydrophobicContact CE1-CG2 3.82Å; V19-L21 HydrophobicContact CG1-CD2 3.61Å; V19-L21 HydrophobicContact CG1-CG 4.03Å; V19-V36 HydrophobicContact CG1-CB 4.47Å; V19-V36 HydrophobicContact CG1-CG1 3.8Å; V19-V36 HydrophobicContact CG2-CG1 4.12Å
20K91.3Very high86.9Confident129 Ų12973.3 Ų73.356%0.56139%0.385SS*.EExtended strand (participates in β ladder)trans-111120.1171-63.7179.7177.1-168.90109E3 T4 K5E3-K20 WeakPolarHBondContact OE2-CD 3.48Å; E3-K20 IonicContact OE2-NZ 2.8Å; T4-K20 WeakPolarHBondContact O-CA 3.11Å; K5-K20 HydrophobicContact CG-CG 4.3Å
21L89.4Confident87Confident4 Ų474 Ų742%0.02139%0.393CS..EExtended strand (participates in β ladder)trans-99.2135.8174.1-59.1-176.6000110E3 T4 I6 V19 V23 V28 D32 F33 V36E3-L21 WeakPolarHBondContact CA-O 3.48Å; T4-L21 PolarHBondContact N-O 2.91Å; T4-L21 PolarHBondContact O-N 3.49Å; I6-L21 HydrophobicContact CD1-CD1 3.47Å; I6-L21 VanDerWaalsContact CD1-CD1 3.47Å; I6-L21 HydrophobicContact CD1-CG 4.2Å; I6-L21 HydrophobicContact CG1-CD1 4.21Å; I6-L21 HydrophobicContact CG1-CG 4.49Å; V19-L21 HydrophobicContact CG1-CD2 3.61Å; V19-L21 HydrophobicContact CG1-CG 4.03Å; L21-V23 HydrophobicContact CB-CB 4.44Å; L21-V23 HydrophobicContact CB-CG2 4.47Å; L21-V23 PolarHBondContact O-N 3.33Å; L21-V28 HydrophobicContact CD1-CG2 3.56Å; L21-D32 HydrophobicContact CD1-CB 3.91Å; L21-F33 HydrophobicContact CD1-CB 4.48Å; L21-V36 HydrophobicContact CD2-CB 3.95Å; L21-V36 HydrophobicContact CD2-CG1 4.34Å; L21-V36 HydrophobicContact CD2-CG2 3.48Å; L21-V36 VanDerWaalsContact CD2-CG2 3.48Å
22P87.9Confident87.2Confident122 Ų12273.2 Ų73.279%0.79239%0.389SS*.SBendtrans-76.830.8175.434.9-36.9000112.4
23V87.2Confident88.1Confident30 Ų3065.1 Ų65.118%0.18235%0.345CS..SBendtrans-116.7132.8-177.2-175.70000107.3G2 T4 L21 K27 V28G2-V23 CarbonylContact O-C 3.53Å; T4-V23 WeakPolarHBondContact CB-O 3.38Å; T4-V23 PolarHBondContact N-O 2.98Å; T4-V23 PolarHBondContact OG1-O 3.23Å; L21-V23 HydrophobicContact CB-CB 4.44Å; L21-V23 HydrophobicContact CB-CG2 4.47Å; L21-V23 PolarHBondContact O-N 3.33Å; V23-K27 HydrophobicContact CG1-CB 4.26Å; V23-V28 HydrophobicContact CG1-CB 4.34Å
24P86.7Confident88.4Confident47 Ų4763.7 Ų63.731%0.30534%0.338SS..  trans-67.3148176.729.3-35.1000110.9D26 K27 V28P24-D26 PolarHBondContact O-N 3.18Å; P24-D26 VanDerWaalsContact O-N 3.09Å; P24-K27 HydrophobicContact CG-CB 4.26Å; P24-K27 HydrophobicContact CG-CD 4.41Å; P24-K27 HydrophobicContact CG-CG 4.34Å; P24-K27 PolarHBondContact O-N 3.31Å; P24-V28 PolarHBondContact O-N 3.11Å
25A83.8Confident89.1Confident19 Ų1961.2 Ų61.216%0.15733%0.33CS..G310 helixtrans-53.9-35.2-174.500000113.1T4 K27 V28 C69T4-A25 VanDerWaalsContact OG1-CA 3.27Å; T4-A25 WeakPolarHBondContact OG1-CA 3.35Å; T4-A25 PolarHBondContact OG1-N 3.42Å; T4-A25 VanDerWaalsContact OG1-N 3.15Å; A25-K27 PolarHBondContact O-N 3.46Å; A25-K27 VanDerWaalsContact O-N 3.07Å; A25-V28 WeakPolarHBondContact O-CG1 3.27Å; A25-C69 HydrophobicContact CB-CB 4.02Å
26D84Confident89.2Confident113 Ų11359.5 Ų59.560%0.60432%0.319SS*.G310 helixtrans-64.3-16.1179.7-41.9-68.1000114.1P24 R66P24-D26 PolarHBondContact O-N 3.18Å; P24-D26 VanDerWaalsContact O-N 3.09Å; D26-R66 VanDerWaalsContact O-CZ 3.29Å; D26-R66 PolarHBondContact O-NE 2.92Å; D26-R66 PolarHBondContact O-NH2 3.03Å
27K86.8Confident88.8Confident150 Ų15057.6 Ų57.665%0.65231%0.306SS*.G310 helixtrans-127.83.7-172-59.4-169.2177.5-172.70114.5V23 P24 A25V23-K27 HydrophobicContact CG1-CB 4.26Å; P24-K27 HydrophobicContact CG-CB 4.26Å; P24-K27 HydrophobicContact CG-CD 4.41Å; P24-K27 HydrophobicContact CG-CG 4.34Å; P24-K27 PolarHBondContact O-N 3.31Å; A25-K27 PolarHBondContact O-N 3.46Å; A25-K27 VanDerWaalsContact O-N 3.07Å
28V91.3Very high88.1Confident1 Ų161.4 Ų61.41%0.00632%0.324CS..  trans-71.2130.8-179.170.80000111T4 I6 L21 V23 P24 A25 R66 L67 V74T4-V28 HydrophobicContact CG2-CB 4.32Å; T4-V28 HydrophobicContact CG2-CG1 4.14Å; T4-V28 HydrophobicContact CG2-CG2 4.18Å; I6-V28 HydrophobicContact CD1-CG2 4.36Å; L21-V28 HydrophobicContact CD1-CG2 3.56Å; V23-V28 HydrophobicContact CG1-CB 4.34Å; P24-V28 PolarHBondContact O-N 3.11Å; A25-V28 WeakPolarHBondContact O-CG1 3.27Å; V28-R66 WeakPolarHBondContact O-CA 3.23Å; V28-L67 HydrophobicContact CG1-CB 4.06Å; V28-L67 HydrophobicContact CG1-CG 4.48Å; V28-L67 HydrophobicContact CG2-CD1 4.25Å; V28-L67 PolarHBondContact O-N 3.29Å; V28-V74 HydrophobicContact CG1-CG2 4.42Å
29T92.9Very high87.1Confident28 Ų2860.9 Ų60.917%0.17232%0.317CS..BIsolated β-bridgetrans-115.8165.2-179.4630000112.5A31 D32 F33 A65T29-A31 VanDerWaalsContact C-N 3.25Å; T29-A31 PolarHBondContact O-N 3.42Å; T29-D32 PolarHBondContact N-OD2 2.94Å; T29-D32 PolarHBondContact O-N 3.48Å; T29-D32 VanDerWaalsContact OG1-CG 3.25Å; T29-D32 PolarHBondContact OG1-N 2.96Å; T29-D32 PolarHBondContact OG1-OD2 2.76Å; T29-F33 PolarHBondContact O-N 3.05Å; T29-A65 VanDerWaalsContact CA-O 3.26Å; T29-A65 WeakPolarHBondContact CA-O 3.49Å
30L91.3Very high85.9Confident0 Ų064.6 Ų64.60%034%0.342CS..Hα-helixtrans-61.5-35.6171.5-177.860.7000112D32 F33 K34 F44 F46 I60 D62 A65 L67L30-D32 PolarHBondContact O-N 2.62Å; L30-F33 HydrophobicContact CD1-CD1 4.46Å; L30-F33 PolarHBondContact O-N 2.72Å; L30-K34 HydrophobicContact CD1-CD 4.37Å; L30-K34 HydrophobicContact CD1-CG 4.26Å; L30-K34 HydrophobicContact CD2-CD 4.41Å; L30-K34 VanDerWaalsContact CD2-NZ 3.33Å; L30-K34 HydrophobicContact CG-CD 3.94Å; L30-K34 HydrophobicContact CG-CG 4.3Å; L30-K34 PolarHBondContact O-N 3.07Å; L30-F44 HydrophobicContact CD1-CB 3.89Å; L30-F44 HydrophobicContact CD1-CD1 3.93Å; L30-F44 HydrophobicContact CD1-CD2 4.33Å; L30-F44 HydrophobicContact CD1-CG 3.8Å; L30-F46 HydrophobicContact CD1-CE2 3.93Å; L30-F46 HydrophobicContact CD1-CZ 3.74Å; L30-I60 HydrophobicContact CD2-CG2 4.24Å; L30-I60 WeakPolarHBondContact CD2-O 3.32Å; L30-D62 WeakPolarHBondContact CB-O 3.39Å; L30-D62 VanDerWaalsContact CD2-O 3.31Å; L30-D62 WeakPolarHBondContact CD2-O 3.5Å; L30-A65 PolarHBondContact N-O 3.13Å; L30-A65 VanDerWaalsContact N-O 3.13Å; L30-L67 HydrophobicContact CB-CD2 3.94Å; L30-L67 HydrophobicContact CD1-CD2 4.31Å
31A89.9Confident85.3Confident27 Ų2764 Ų6422%0.22335%0.345CS..Hα-helixtrans-57.4-45.4173.100000112.5T29 F33 K34 N35 D63T29-A31 VanDerWaalsContact C-N 3.25Å; T29-A31 PolarHBondContact O-N 3.42Å; A31-F33 VanDerWaalsContact C-N 3.26Å; A31-F33 PolarHBondContact O-N 3.09Å; A31-K34 PolarHBondContact O-N 3.42Å; A31-N35 VanDerWaalsContact O-CB 3.27Å; A31-N35 WeakPolarHBondContact O-CB 3.39Å; A31-N35 VanDerWaalsContact O-CG 3.23Å; A31-N35 PolarHBondContact O-N 3.13Å; A31-N35 PolarHBondContact O-ND2 2.94Å; A31-D63 HydrophobicContact CB-CB 4.21Å; A31-D63 WeakPolarHBondContact CB-O 3.43Å; A31-D63 PolarHBondContact N-O 3.1Å
32D90.7Very high85.3Confident48 Ų4866 Ų6626%0.25735%0.353SS..Hα-helixtrans-59.2-39.4178.1-61.1-59.3000111.8L21 T29 L30 V36L21-D32 HydrophobicContact CD1-CB 3.91Å; T29-D32 PolarHBondContact N-OD2 2.94Å; T29-D32 PolarHBondContact O-N 3.48Å; T29-D32 VanDerWaalsContact OG1-CG 3.25Å; T29-D32 PolarHBondContact OG1-N 2.96Å; T29-D32 PolarHBondContact OG1-OD2 2.76Å; L30-D32 PolarHBondContact O-N 2.62Å; D32-V36 PolarHBondContact O-N 3.35Å
33F90.8Very high85.3Confident0 Ų064.6 Ų64.60%033%0.334CS..Hα-helixtrans-73.7-47.2179.6-177.9-145.8000112.4I6 Y8 L21 T29 L30 A31 N35 V36 L37 F44 F46 L67 L78I6-F33 HydrophobicContact CB-CD2 4.43Å; I6-F33 HydrophobicContact CB-CE2 4.33Å; I6-F33 HydrophobicContact CD1-CB 3.74Å; I6-F33 HydrophobicContact CD1-CD1 4.27Å; I6-F33 HydrophobicContact CD1-CD2 3.74Å; I6-F33 HydrophobicContact CD1-CE2 4.44Å; I6-F33 HydrophobicContact CD1-CG 3.66Å; I6-F33 HydrophobicContact CG2-CD1 4.34Å; I6-F33 HydrophobicContact CG2-CD2 4.1Å; I6-F33 HydrophobicContact CG2-CE1 4Å; I6-F33 HydrophobicContact CG2-CE2 3.77Å; I6-F33 HydrophobicContact CG2-CG 4.39Å; I6-F33 HydrophobicContact CG2-CZ 3.73Å; Y8-F33 AromaticContact CD1-CE2 3.81Å; Y8-F33 HydrophobicContact CD1-CE2 3.81Å; Y8-F33 AromaticContact CD1-CZ 3.77Å; Y8-F33 HydrophobicContact CD1-CZ 3.77Å; Y8-F33 HydrophobicContact CE1-CE2 4.24Å; Y8-F33 HydrophobicContact CG-CE2 4.36Å; Y8-F33 AromaticContact CG-CZ 3.86Å; Y8-F33 HydrophobicContact CG-CZ 3.86Å; L21-F33 HydrophobicContact CD1-CB 4.48Å; T29-F33 PolarHBondContact O-N 3.05Å; L30-F33 HydrophobicContact CD1-CD1 4.46Å; L30-F33 PolarHBondContact O-N 2.72Å; A31-F33 VanDerWaalsContact C-N 3.26Å; A31-F33 PolarHBondContact O-N 3.09Å; F33-N35 VanDerWaalsContact C-N 3.31Å; F33-N35 PolarHBondContact O-N 3.23Å; F33-V36 PolarHBondContact O-N 3.1Å; F33-V36 VanDerWaalsContact O-N 3.16Å; F33-L37 PolarHBondContact O-N 3.19Å; F33-F44 HydrophobicContact CD1-CD1 4.01Å; F33-F44 HydrophobicContact CD1-CE1 4.09Å; F33-F44 AromaticContact CE1-CD1 3.8Å; F33-F44 HydrophobicContact CE1-CD1 3.8Å; F33-F44 AromaticContact CE1-CE1 3.9Å; F33-F44 HydrophobicContact CE1-CE1 3.9Å; F33-F46 HydrophobicContact CD1-CE1 4.11Å; F33-F46 AromaticContact CD1-CZ 3.97Å; F33-F46 HydrophobicContact CD1-CZ 3.97Å; F33-F46 HydrophobicContact CE1-CE1 4.15Å; F33-F46 HydrophobicContact CE1-CZ 4.19Å; F33-L67 HydrophobicContact CB-CD1 4.15Å; F33-L78 HydrophobicContact CE1-CD1 3.9Å; F33-L78 HydrophobicContact CZ-CD1 3.99Å
34K88.8Confident85.6Confident55 Ų5563.6 Ų63.624%0.23933%0.328CS..Hα-helixtrans-58.1-41.5175.5-77.2173.7179.8170.80111.8L30 A31 V36 L37 K38 F44 S61 D63L30-K34 HydrophobicContact CD1-CD 4.37Å; L30-K34 HydrophobicContact CD1-CG 4.26Å; L30-K34 HydrophobicContact CD2-CD 4.41Å; L30-K34 VanDerWaalsContact CD2-NZ 3.33Å; L30-K34 HydrophobicContact CG-CD 3.94Å; L30-K34 HydrophobicContact CG-CG 4.3Å; L30-K34 PolarHBondContact O-N 3.07Å; A31-K34 PolarHBondContact O-N 3.42Å; K34-V36 VanDerWaalsContact C-N 3.29Å; K34-V36 PolarHBondContact O-N 3.29Å; K34-L37 PolarHBondContact O-N 3.38Å; K34-K38 PolarHBondContact O-N 3.2Å; K34-F44 HydrophobicContact CD-CE2 4.19Å; K34-F44 HydrophobicContact CD-CZ 4.47Å; K34-F44 VanDerWaalsContact CE-CE2 3.46Å; K34-F44 HydrophobicContact CG-CE1 4.19Å; K34-F44 HydrophobicContact CG-CE2 3.87Å; K34-F44 HydrophobicContact CG-CZ 3.65Å; K34-S61 PolarHBondContact NZ-O 3.34Å; K34-D63 WeakPolarHBondContact CD-OD1 3.27Å; K34-D63 WeakPolarHBondContact CE-OD1 3.44Å; K34-D63 IonicContact NZ-OD1 3.99Å; K34-D63 PolarHBondContact NZ-OD1 3.3Å
35N87.8Confident85.9Confident118 Ų11863.1 Ų63.163%0.63132%0.321SS*.Hα-helixtrans-60.6-33.5177.3-81.4-39.2000113.7A31 F33 K38A31-N35 VanDerWaalsContact O-CB 3.27Å; A31-N35 WeakPolarHBondContact O-CB 3.39Å; A31-N35 VanDerWaalsContact O-CG 3.23Å; A31-N35 PolarHBondContact O-N 3.13Å; A31-N35 PolarHBondContact O-ND2 2.94Å; F33-N35 VanDerWaalsContact C-N 3.31Å; F33-N35 PolarHBondContact O-N 3.23Å; N35-K38 WeakPolarHBondContact O-CG 3.24Å
36V86.8Confident86.4Confident73 Ų7362.2 Ų62.244%0.44231%0.313SS..Hα-helixtrans-83.9-35.4176.3173.10000112.1V19 L21 D32 F33 K34V19-V36 HydrophobicContact CG1-CB 4.47Å; V19-V36 HydrophobicContact CG1-CG1 3.8Å; V19-V36 HydrophobicContact CG2-CG1 4.12Å; L21-V36 HydrophobicContact CD2-CB 3.95Å; L21-V36 HydrophobicContact CD2-CG1 4.34Å; L21-V36 HydrophobicContact CD2-CG2 3.48Å; L21-V36 VanDerWaalsContact CD2-CG2 3.48Å; D32-V36 PolarHBondContact O-N 3.35Å; F33-V36 PolarHBondContact O-N 3.1Å; F33-V36 VanDerWaalsContact O-N 3.16Å; K34-V36 VanDerWaalsContact C-N 3.29Å; K34-V36 PolarHBondContact O-N 3.29Å
37L83.5Confident86.8Confident22 Ų2261 Ų6112%0.11530%0.302CS..Hα-helixtrans-65.2-36.9177-170.178.4000112.6Y8 F33 K34 K39 F44 L78Y8-L37 HydrophobicContact CE1-CD1 4.46Å; Y8-L37 HydrophobicContact CE2-CD1 4.05Å; F33-L37 PolarHBondContact O-N 3.19Å; K34-L37 PolarHBondContact O-N 3.38Å; L37-K39 HydrophobicContact CD2-CB 3.88Å; L37-K39 HydrophobicContact CG-CB 4.02Å; L37-K39 HydrophobicContact CG-CD 4.36Å; L37-K39 HydrophobicContact CG-CG 4.25Å; L37-K39 PolarHBondContact O-N 2.93Å; L37-F44 HydrophobicContact CD2-CE1 3.85Å; L37-F44 HydrophobicContact CD2-CZ 3.73Å; L37-L78 HydrophobicContact CD1-CD2 3.73Å; L37-L78 HydrophobicContact CD2-CD2 3.51Å; L37-L78 HydrophobicContact CG-CD2 4.28Å
38K75.6Confident87Confident181 Ų18154.1 Ų54.179%0.78727%0.273SS*.  trans5611.5-177.2-59.8-176.1179.1-179.20115.9K34 N35K34-K38 PolarHBondContact O-N 3.2Å; N35-K38 WeakPolarHBondContact O-CG 3.24Å
39K71.6Confident86.7Confident89 Ų8959.6 Ų59.639%0.38730%0.3SS..  trans-98.3122.1174.3-68.6-179.3160.4-158.50110.5L37 Y42L37-K39 HydrophobicContact CD2-CB 3.88Å; L37-K39 HydrophobicContact CG-CB 4.02Å; L37-K39 HydrophobicContact CG-CD 4.36Å; L37-K39 HydrophobicContact CG-CG 4.25Å; L37-K39 PolarHBondContact O-N 2.93Å; K39-Y42 HydrophobicContact CB-CD2 3.95Å; K39-Y42 HydrophobicContact CB-CE2 3.86Å; K39-Y42 HydrophobicContact CD-CD2 4.36Å; K39-Y42 HydrophobicContact CD-CE2 3.62Å; K39-Y42 HydrophobicContact CG-CE2 4.33Å; K39-Y42 PolarHBondContact NZ-OH 3.22Å; K39-Y42 VanDerWaalsContact NZ-OH 3.15Å
40P65.5Low86.5Confident101 Ų10161.3 Ų61.366%0.65631%0.308SS*.  trans-73.5175163.634.1-35.1000111Y42P40-Y42 WeakPolarHBondContact O-CD2 3.38Å; P40-Y42 PolarHBondContact O-N 2.68Å
41N79.7Confident86.1Confident116 Ų11669.4 Ų69.462%0.6235%0.352SS*.SBendtrans66.430167.6-56.77.6000117.6G81N41-G81 PolarHBondContact O-N 3.07Å
42Y87.9Confident85.4Confident45 Ų4575.1 Ų75.118%0.17638%0.379CS..EExtended strand (participates in β ladder)trans-110.4141.3168.5-74.5-90.5000112.2L10 K39 P40 F44 L78 V79 S80L10-Y42 HydrophobicContact CD1-CD1 4.36Å; L10-Y42 HydrophobicContact CD1-CE1 3.67Å; L10-Y42 HydrophobicContact CG-CE1 4.22Å; K39-Y42 HydrophobicContact CB-CD2 3.95Å; K39-Y42 HydrophobicContact CB-CE2 3.86Å; K39-Y42 HydrophobicContact CD-CD2 4.36Å; K39-Y42 HydrophobicContact CD-CE2 3.62Å; K39-Y42 HydrophobicContact CG-CE2 4.33Å; K39-Y42 PolarHBondContact NZ-OH 3.22Å; K39-Y42 VanDerWaalsContact NZ-OH 3.15Å; P40-Y42 WeakPolarHBondContact O-CD2 3.38Å; P40-Y42 PolarHBondContact O-N 2.68Å; Y42-F44 WeakPolarHBondContact O-CD2 3.44Å; Y42-F44 WeakPolarHBondContact O-CE2 3.47Å; Y42-L78 HydrophobicContact CD1-CB 3.7Å; Y42-L78 HydrophobicContact CD1-CG 4.45Å; Y42-L78 HydrophobicContact CE1-CB 4.33Å; Y42-L78 HydrophobicContact CG-CB 4.27Å; Y42-V79 WeakPolarHBondContact CA-O 3.34Å; Y42-S80 WeakPolarHBondContact CE1-OG 3.04Å
43K89.7Confident84.5Confident93 Ų9380.9 Ų80.940%0.40440%0.402SS..EExtended strand (participates in β ladder)trans-80.6133.9159.2-79.4170159.1-79.80108.9F45 E59 L78 V79K43-F45 HydrophobicContact CB-CD2 4.44Å; K43-F45 HydrophobicContact CB-CE2 3.74Å; K43-F45 HydrophobicContact CB-CZ 4.34Å; K43-F45 HydrophobicContact CD-CE2 4.47Å; K43-F45 HydrophobicContact CD-CZ 4.45Å; K43-E59 IonicContact NZ-OE1 2.71Å; K43-E59 PolarHBondContact NZ-OE1 3.24Å; K43-E59 IonicContact NZ-OE2 2.88Å; K43-E59 PolarHBondContact NZ-OE2 3.39Å; K43-L78 WeakPolarHBondContact O-CA 3.32Å; K43-V79 PolarHBondContact N-O 3.3Å; K43-V79 PolarHBondContact O-N 3.15Å
44F92Very high84.3Confident10 Ų1081.7 Ų81.74%0.04441%0.41CS..EExtended strand (participates in β ladder)trans-109.8107.3-175.3-68.4-96.4000110.2L30 F33 K34 L37 Y42 F46 I60 L78L30-F44 HydrophobicContact CD1-CB 3.89Å; L30-F44 HydrophobicContact CD1-CD1 3.93Å; L30-F44 HydrophobicContact CD1-CD2 4.33Å; L30-F44 HydrophobicContact CD1-CG 3.8Å; F33-F44 HydrophobicContact CD1-CD1 4.01Å; F33-F44 HydrophobicContact CD1-CE1 4.09Å; F33-F44 AromaticContact CE1-CD1 3.8Å; F33-F44 HydrophobicContact CE1-CD1 3.8Å; F33-F44 AromaticContact CE1-CE1 3.9Å; F33-F44 HydrophobicContact CE1-CE1 3.9Å; K34-F44 HydrophobicContact CD-CE2 4.19Å; K34-F44 HydrophobicContact CD-CZ 4.47Å; K34-F44 VanDerWaalsContact CE-CE2 3.46Å; K34-F44 HydrophobicContact CG-CE1 4.19Å; K34-F44 HydrophobicContact CG-CE2 3.87Å; K34-F44 HydrophobicContact CG-CZ 3.65Å; L37-F44 HydrophobicContact CD2-CE1 3.85Å; L37-F44 HydrophobicContact CD2-CZ 3.73Å; Y42-F44 WeakPolarHBondContact O-CD2 3.44Å; Y42-F44 WeakPolarHBondContact O-CE2 3.47Å; F44-F46 HydrophobicContact CB-CE2 3.66Å; F44-F46 HydrophobicContact CB-CZ 4.03Å; F44-F46 HydrophobicContact CD1-CZ 4.41Å; F44-I60 PolarHBondContact O-N 2.97Å; F44-L78 HydrophobicContact CD1-CD1 3.79Å; F44-L78 HydrophobicContact CD1-CG 3.93Å; F44-L78 HydrophobicContact CE1-CD1 4.02Å; F44-L78 HydrophobicContact CE1-CD2 4.05Å; F44-L78 HydrophobicContact CE1-CG 3.8Å
45F93.1Very high84.2Confident37 Ų3783.6 Ų83.616%0.16243%0.426CS..EExtended strand (participates in β ladder)trans-100.2149172.5-59.5-92.2000110.1K43 K57 E58 E59 S76 W77 V79K43-F45 HydrophobicContact CB-CD2 4.44Å; K43-F45 HydrophobicContact CB-CE2 3.74Å; K43-F45 HydrophobicContact CB-CZ 4.34Å; K43-F45 HydrophobicContact CD-CE2 4.47Å; K43-F45 HydrophobicContact CD-CZ 4.45Å; F45-K57 HydrophobicContact CB-CD 4.22Å; F45-K57 HydrophobicContact CB-CG 3.78Å; F45-K57 HydrophobicContact CD1-CG 4.19Å; F45-K57 HydrophobicContact CG-CD 4.5Å; F45-K57 HydrophobicContact CG-CG 4.29Å; F45-E58 CarbonylContact C-O 3.55Å; F45-E58 WeakPolarHBondContact CA-O 3.36Å; F45-E59 HydrophobicContact CD1-CB 3.74Å; F45-E59 HydrophobicContact CD1-CG 4.1Å; F45-E59 HydrophobicContact CE1-CB 3.6Å; F45-E59 HydrophobicContact CE1-CG 3.78Å; F45-E59 WeakPolarHBondContact CE1-OE2 3.17Å; F45-E59 HydrophobicContact CZ-CB 4.42Å; F45-E59 HydrophobicContact CZ-CG 4.1Å; F45-E59 WeakPolarHBondContact CZ-OE2 3.42Å; F45-S76 CarbonylContact O-C 3.57Å; F45-S76 WeakPolarHBondContact O-CA 3.33Å; F45-S76 WeakPolarHBondContact O-CB 3.36Å; F45-S76 PolarHBondContact O-OG 3.44Å; F45-W77 HydrophobicContact CB-CB 4.34Å; F45-W77 PolarHBondContact N-O 2.87Å; F45-W77 PolarHBondContact O-N 3.11Å; F45-V79 HydrophobicContact CD2-CG2 3.94Å; F45-V79 HydrophobicContact CE2-CB 4.09Å; F45-V79 HydrophobicContact CE2-CG2 3.75Å
46F94.2Very high84.4Confident0 Ų080.1 Ų80.10%041%0.409CS..EExtended strand (participates in β ladder)trans-133.8151.8-180-63.7-85.3000111.8L30 F33 F44 S48 K57 E58 I60 L67 P68 V74 V75 S76L30-F46 HydrophobicContact CD1-CE2 3.93Å; L30-F46 HydrophobicContact CD1-CZ 3.74Å; F33-F46 HydrophobicContact CD1-CE1 4.11Å; F33-F46 AromaticContact CD1-CZ 3.97Å; F33-F46 HydrophobicContact CD1-CZ 3.97Å; F33-F46 HydrophobicContact CE1-CE1 4.15Å; F33-F46 HydrophobicContact CE1-CZ 4.19Å; F44-F46 HydrophobicContact CB-CE2 3.66Å; F44-F46 HydrophobicContact CB-CZ 4.03Å; F44-F46 HydrophobicContact CD1-CZ 4.41Å; F46-S48 PolarHBondContact O-N 3.38Å; F46-K57 CarbonylContact O-C 3.55Å; F46-K57 WeakPolarHBondContact O-CA 3.38Å; F46-E58 PolarHBondContact N-O 2.81Å; F46-E58 PolarHBondContact O-N 3.24Å; F46-I60 HydrophobicContact CB-CD1 4.29Å; F46-I60 HydrophobicContact CD2-CB 3.76Å; F46-I60 HydrophobicContact CD2-CD1 3.65Å; F46-I60 HydrophobicContact CD2-CG1 3.74Å; F46-I60 HydrophobicContact CE2-CB 3.89Å; F46-I60 HydrophobicContact CE2-CD1 4.34Å; F46-I60 HydrophobicContact CE2-CG1 4.37Å; F46-I60 HydrophobicContact CG-CD1 4.17Å; F46-L67 HydrophobicContact CD1-CD2 4.36Å; F46-L67 HydrophobicContact CD2-CD2 4.33Å; F46-L67 HydrophobicContact CE1-CD1 3.91Å; F46-L67 HydrophobicContact CE1-CD2 3.83Å; F46-L67 HydrophobicContact CE1-CG 4.34Å; F46-L67 HydrophobicContact CE2-CD2 3.8Å; F46-L67 HydrophobicContact CZ-CD1 4.18Å; F46-L67 HydrophobicContact CZ-CD2 3.53Å; F46-L67 HydrophobicContact CZ-CG 4.44Å; F46-P68 HydrophobicContact CB-CG 3.55Å; F46-P68 HydrophobicContact CG-CG 4.34Å; F46-V74 HydrophobicContact CD1-CG1 3.51Å; F46-V74 HydrophobicContact CE1-CG1 3.88Å; F46-V75 WeakPolarHBondContact CA-O 3.48Å; F46-S76 VanDerWaalsContact CE1-OG 3.29Å; F46-S76 WeakPolarHBondContact CE1-OG 3.42Å
47K92.4Very high84.6Confident86 Ų8681.8 Ų81.837%0.37441%0.41SS..EExtended strand (participates in β ladder)trans-78.6112168.9-170.8-177.7-174.2178.50107.9V55 P68 F70 V75 W77K47-V55 HydrophobicContact CD-CG1 4.27Å; K47-V55 HydrophobicContact CG-CG1 4.06Å; K47-P68 WeakPolarHBondContact O-CG 3.49Å; K47-F70 WeakPolarHBondContact O-CE2 3.5Å; K47-V75 HydrophobicContact CB-CB 3.91Å; K47-V75 HydrophobicContact CB-CG1 4.45Å; K47-V75 PolarHBondContact N-O 2.86Å; K47-W77 HydrophobicContact CB-CH2 4.02Å; K47-W77 HydrophobicContact CB-CZ3 3.9Å
48S91.2Very high85.1Confident6 Ų685.1 Ų85.14%0.04243%0.425CS..EExtended strand (participates in β ladder)trans-118.9179.9172.754.80000111.3F46 V56 E58F46-S48 PolarHBondContact O-N 3.38Å; S48-V56 PolarHBondContact N-O 2.96Å; S48-V56 VanDerWaalsContact N-O 3.09Å; S48-V56 PolarHBondContact O-N 2.81Å; S48-V56 VanDerWaalsContact O-N 3.15Å; S48-V56 WeakPolarHBondContact OG-CG2 3.42Å; S48-E58 WeakPolarHBondContact CB-OE2 3.17Å; S48-E58 VanDerWaalsContact OG-CB 3.26Å; S48-E58 WeakPolarHBondContact OG-CB 3.32Å; S48-E58 PolarHBondContact OG-OE2 2.81Å
49M85.9Confident86Confident117 Ų11780.6 Ų80.658%0.57641%0.407SS*.EExtended strand (participates in β ladder)trans-119.7122.4173-170.879.4179.800106.6G54 V55 F70M49-G54 CarbonylContact C-O 3.59Å; M49-G54 WeakPolarHBondContact CA-O 3.1Å; M49-V55 HydrophobicContact SD-CG2 3.97Å; M49-F70 HydrophobicContact CB-CE1 4.14Å; M49-F70 HydrophobicContact CB-CZ 3.85Å
50D89.1Confident86.9Confident63 Ų6377 Ų7734%0.33739%0.391SS..EExtended strand (participates in β ladder)trans-102.1145173.1178.3-85.6000108.8D52 F53 G54 V56D50-D52 PolarHBondContact OD1-N 3.33Å; D50-F53 HydrophobicContact CB-CB 4.48Å; D50-F53 WeakPolarHBondContact OD1-CD2 3.35Å; D50-F53 PolarHBondContact OD1-N 3.34Å; D50-G54 PolarHBondContact N-O 3.13Å; D50-G54 VanDerWaalsContact O-CA 3.23Å; D50-G54 WeakPolarHBondContact O-CA 3.19Å; D50-G54 PolarHBondContact O-N 3.42Å; D50-V56 HydrophobicContact CB-CG1 3.88Å; D50-V56 HydrophobicContact CB-CG2 3.8Å
51D82.2Confident88.1Confident170 Ų17076.5 Ų76.591%0.90939%0.39SS*.THydrogen-bonded Turntrans-74.7-25.1-173.2-70.2-39.5000113.3
52D74.6Confident88.5Confident148 Ų14875.1 Ų75.179%0.79138%0.383SS*.THydrogen-bonded Turntrans-97.4-38.1179.7-74.3-41.2000112.2D50D50-D52 PolarHBondContact OD1-N 3.33Å
53F72.2Confident88.6Confident169 Ų16976.5 Ų76.574%0.74139%0.394SS*.THydrogen-bonded Turntrans-106.9-8-173.4-65.6-82.9000114.6D50 V55 V56D50-F53 HydrophobicContact CB-CB 4.48Å; D50-F53 WeakPolarHBondContact OD1-CD2 3.35Å; D50-F53 PolarHBondContact OD1-N 3.34Å; F53-V55 PolarHBondContact O-N 2.75Å; F53-V56 HydrophobicContact CB-CG1 3.81Å
54G86.1Confident88.6Confident17 Ų1778.4 Ų78.418%0.17541%0.408CS..EExtended strand (participates in β ladder)trans72.5-124.7-179.400000112.6M49 D50 V56M49-G54 CarbonylContact C-O 3.59Å; M49-G54 WeakPolarHBondContact CA-O 3.1Å; D50-G54 PolarHBondContact N-O 3.13Å; D50-G54 VanDerWaalsContact O-CA 3.23Å; D50-G54 WeakPolarHBondContact O-CA 3.19Å; D50-G54 PolarHBondContact O-N 3.42Å; G54-V56 PolarHBondContact O-N 3.5Å
55V87.9Confident88.5Confident94 Ų9479.1 Ų79.157%0.5742%0.416SS*.EExtended strand (participates in β ladder)trans-77.5109.5-173.4172.10000111.1K47 M49 F53K47-V55 HydrophobicContact CD-CG1 4.27Å; K47-V55 HydrophobicContact CG-CG1 4.06Å; M49-V55 HydrophobicContact SD-CG2 3.97Å; F53-V55 PolarHBondContact O-N 2.75Å
56V90.8Very high88.3Confident45 Ų4585.1 Ų85.127%0.27344%0.438SS..EExtended strand (participates in β ladder)trans-119.6167.3-176.7-60.50000113.3S48 D50 F53 G54S48-V56 PolarHBondContact N-O 2.96Å; S48-V56 VanDerWaalsContact N-O 3.09Å; S48-V56 PolarHBondContact O-N 2.81Å; S48-V56 VanDerWaalsContact O-N 3.15Å; S48-V56 WeakPolarHBondContact OG-CG2 3.42Å; D50-V56 HydrophobicContact CB-CG1 3.88Å; D50-V56 HydrophobicContact CB-CG2 3.8Å; F53-V56 HydrophobicContact CB-CG1 3.81Å; G54-V56 PolarHBondContact O-N 3.5Å
57K92Very high88.2Confident109 Ų10985.4 Ų85.447%0.47444%0.439SS..EExtended strand (participates in β ladder)trans-110.291174.7-178.2177.6174.3179.10109.6F45 F46 W77F45-K57 HydrophobicContact CB-CD 4.22Å; F45-K57 HydrophobicContact CB-CG 3.78Å; F45-K57 HydrophobicContact CD1-CG 4.19Å; F45-K57 HydrophobicContact CG-CD 4.5Å; F45-K57 HydrophobicContact CG-CG 4.29Å; F46-K57 CarbonylContact O-C 3.55Å; F46-K57 WeakPolarHBondContact O-CA 3.38Å; K57-W77 HydrophobicContact CD-CD2 4.41Å; K57-W77 HydrophobicContact CD-CE3 4.15Å; K57-W77 HydrophobicContact CG-CE3 4.1Å; K57-W77 HydrophobicContact CG-CZ3 4.28Å
58E93.3Very high88Confident92 Ų9282.4 Ų82.443%0.4343%0.428SS..EExtended strand (participates in β ladder)trans-84.8133.5-175.7-179.1-176.5167.300111.5F45 F46 S48 I60F45-E58 CarbonylContact C-O 3.55Å; F45-E58 WeakPolarHBondContact CA-O 3.36Å; F46-E58 PolarHBondContact N-O 2.81Å; F46-E58 PolarHBondContact O-N 3.24Å; S48-E58 WeakPolarHBondContact CB-OE2 3.17Å; S48-E58 VanDerWaalsContact OG-CB 3.26Å; S48-E58 WeakPolarHBondContact OG-CB 3.32Å; S48-E58 PolarHBondContact OG-OE2 2.81Å; E58-I60 HydrophobicContact CG-CG1 4.01Å
59E94Very high87.7Confident86 Ų8684.1 Ų84.140%0.40244%0.44SS..EExtended strand (participates in β ladder)trans-85.2113.2171.1-166.8177147.900109.5K43 F45K43-E59 IonicContact NZ-OE1 2.71Å; K43-E59 PolarHBondContact NZ-OE1 3.24Å; K43-E59 IonicContact NZ-OE2 2.88Å; K43-E59 PolarHBondContact NZ-OE2 3.39Å; F45-E59 HydrophobicContact CD1-CB 3.74Å; F45-E59 HydrophobicContact CD1-CG 4.1Å; F45-E59 HydrophobicContact CE1-CB 3.6Å; F45-E59 HydrophobicContact CE1-CG 3.78Å; F45-E59 WeakPolarHBondContact CE1-OE2 3.17Å; F45-E59 HydrophobicContact CZ-CB 4.42Å; F45-E59 HydrophobicContact CZ-CG 4.1Å; F45-E59 WeakPolarHBondContact CZ-OE2 3.42Å
60I91.4Very high87.5Confident12 Ų1283.2 Ų83.26%0.06243%0.433CS..  trans-107.3111.4176.4-54.4-179.1000108.1L30 F44 F46 E58 A65 P68L30-I60 HydrophobicContact CD2-CG2 4.24Å; L30-I60 WeakPolarHBondContact CD2-O 3.32Å; F44-I60 PolarHBondContact O-N 2.97Å; F46-I60 HydrophobicContact CB-CD1 4.29Å; F46-I60 HydrophobicContact CD2-CB 3.76Å; F46-I60 HydrophobicContact CD2-CD1 3.65Å; F46-I60 HydrophobicContact CD2-CG1 3.74Å; F46-I60 HydrophobicContact CE2-CB 3.89Å; F46-I60 HydrophobicContact CE2-CD1 4.34Å; F46-I60 HydrophobicContact CE2-CG1 4.37Å; F46-I60 HydrophobicContact CG-CD1 4.17Å; E58-I60 HydrophobicContact CG-CG1 4.01Å; I60-A65 HydrophobicContact CG2-CB 3.48Å; I60-A65 VanDerWaalsContact CG2-CB 3.48Å; I60-P68 HydrophobicContact CD1-CG 4.38Å
61S89.7Confident87.1Confident91 Ų9188.2 Ų88.264%0.63646%0.46SS*.  trans-101.5-31.4-178.153.90000113.5K34K34-S61 PolarHBondContact NZ-O 3.34Å
62D89.6Confident87.1Confident87 Ų8781.5 Ų81.547%0.46543%0.43SS..  trans-68.2124.7178.9175.722.6000112.3L30 N64 A65L30-D62 WeakPolarHBondContact CB-O 3.39Å; L30-D62 VanDerWaalsContact CD2-O 3.31Å; L30-D62 WeakPolarHBondContact CD2-O 3.5Å; D62-N64 PolarHBondContact O-N 2.81Å; D62-N64 PolarHBondContact OD1-N 3.18Å; D62-A65 HydrophobicContact CB-CB 4.14Å; D62-A65 WeakPolarHBondContact O-CB 3.36Å; D62-A65 PolarHBondContact O-N 2.8Å; D62-A65 PolarHBondContact OD2-N 3.5Å
63D88.9Confident87.7Confident75 Ų7581.3 Ų81.340%0.40142%0.419SS..THydrogen-bonded Turntrans-62.8-29.8177.3-75.5-29.6000113A31 K34A31-D63 HydrophobicContact CB-CB 4.21Å; A31-D63 WeakPolarHBondContact CB-O 3.43Å; A31-D63 PolarHBondContact N-O 3.1Å; K34-D63 WeakPolarHBondContact CD-OD1 3.27Å; K34-D63 WeakPolarHBondContact CE-OD1 3.44Å; K34-D63 IonicContact NZ-OD1 3.99Å; K34-D63 PolarHBondContact NZ-OD1 3.3Å
64N90.1Very high88.7Confident133 Ų13373.3 Ų73.371%0.71138%0.383SS*.THydrogen-bonded Turntrans-86.2-8.6-179.2-74.6113.4000114.1D62D62-N64 PolarHBondContact O-N 2.81Å; D62-N64 PolarHBondContact OD1-N 3.18Å
65A90.3Very high89Confident25 Ų2574.3 Ų74.321%0.20739%0.386CS..SBendtrans-66.8140178.200000112.1T29 L30 I60 D62T29-A65 VanDerWaalsContact CA-O 3.26Å; T29-A65 WeakPolarHBondContact CA-O 3.49Å; L30-A65 PolarHBondContact N-O 3.13Å; L30-A65 VanDerWaalsContact N-O 3.13Å; I60-A65 HydrophobicContact CG2-CB 3.48Å; I60-A65 VanDerWaalsContact CG2-CB 3.48Å; D62-A65 HydrophobicContact CB-CB 4.14Å; D62-A65 WeakPolarHBondContact O-CB 3.36Å; D62-A65 PolarHBondContact O-N 2.8Å; D62-A65 PolarHBondContact OD2-N 3.5Å
66R89.3Confident89.3Confident162 Ų16269.8 Ų69.861%0.61136%0.359SS*.BIsolated β-bridgetrans-77133.3173.3-68.5170.168.4-121.64.2109.3D26 V28D26-R66 VanDerWaalsContact O-CZ 3.29Å; D26-R66 PolarHBondContact O-NE 2.92Å; D26-R66 PolarHBondContact O-NH2 3.03Å; V28-R66 WeakPolarHBondContact O-CA 3.23Å
67L91.5Very high89.4Confident6 Ų671.2 Ų71.23%0.03136%0.359CS..PPolyproline II helixtrans-78142-178.7-52.5-179.9000111.4I6 V28 L30 F33 F46 C69 V74I6-L67 HydrophobicContact CD1-CD1 3.71Å; V28-L67 HydrophobicContact CG1-CB 4.06Å; V28-L67 HydrophobicContact CG1-CG 4.48Å; V28-L67 HydrophobicContact CG2-CD1 4.25Å; V28-L67 PolarHBondContact O-N 3.29Å; L30-L67 HydrophobicContact CB-CD2 3.94Å; L30-L67 HydrophobicContact CD1-CD2 4.31Å; F33-L67 HydrophobicContact CB-CD1 4.15Å; F46-L67 HydrophobicContact CD1-CD2 4.36Å; F46-L67 HydrophobicContact CD2-CD2 4.33Å; F46-L67 HydrophobicContact CE1-CD1 3.91Å; F46-L67 HydrophobicContact CE1-CD2 3.83Å; F46-L67 HydrophobicContact CE1-CG 4.34Å; F46-L67 HydrophobicContact CE2-CD2 3.8Å; F46-L67 HydrophobicContact CZ-CD1 4.18Å; F46-L67 HydrophobicContact CZ-CD2 3.53Å; F46-L67 HydrophobicContact CZ-CG 4.44Å; L67-C69 PolarHBondContact O-N 2.92Å; L67-C69 VanDerWaalsContact O-N 3.1Å; L67-V74 HydrophobicContact CB-CG1 4.06Å; L67-V74 HydrophobicContact CB-CG2 4.07Å; L67-V74 HydrophobicContact CD1-CG1 4.35Å
68P88.1Confident89.4Confident23 Ų2366.1 Ų66.115%0.14934%0.337CS..  trans-66.8111178.828.1-36.2000110.4F46 K47 I60 F70F46-P68 HydrophobicContact CB-CG 3.55Å; F46-P68 HydrophobicContact CG-CG 4.34Å; K47-P68 WeakPolarHBondContact O-CG 3.49Å; I60-P68 HydrophobicContact CD1-CG 4.38Å; P68-F70 HydrophobicContact CB-CE2 4.21Å
69C84.4Confident89.2Confident43 Ų4364.5 Ų64.529%0.29133%0.334SS..  trans-113.5122.6-172.263.80000112.6A25 L67 R73 V74A25-C69 HydrophobicContact CB-CB 4.02Å; L67-C69 PolarHBondContact O-N 2.92Å; L67-C69 VanDerWaalsContact O-N 3.1Å; C69-R73 CarbonylContact C-O 3.42Å; C69-R73 WeakPolarHBondContact CA-O 3.34Å; C69-V74 HydrophobicContact CB-CG2 4.05Å
70F83.1Confident88.8Confident98 Ų9862.7 Ų62.743%0.4333%0.33SS..BIsolated β-bridgetrans-115.7119.4177.6-61.1-87.3000109.4K47 M49 P68 G72 R73K47-F70 WeakPolarHBondContact O-CE2 3.5Å; M49-F70 HydrophobicContact CB-CE1 4.14Å; M49-F70 HydrophobicContact CB-CZ 3.85Å; P68-F70 HydrophobicContact CB-CE2 4.21Å; F70-G72 VanDerWaalsContact C-N 3.26Å; F70-G72 PolarHBondContact O-N 3.24Å; F70-R73 PolarHBondContact N-O 3.29Å; F70-R73 WeakPolarHBondContact O-CB 3.49Å; F70-R73 PolarHBondContact O-N 2.85Å
71N80.4Confident87.7Confident168 Ų16864.3 Ų64.390%0.89835%0.35SS*.THydrogen-bonded Turntrans50.741.5-179.8-63.1-32.1000114R73N71-R73 VanDerWaalsContact C-N 3.27Å; N71-R73 PolarHBondContact O-N 3.12Å
72G81.1Confident86.1Confident28 Ų2866.3 Ų66.329%0.28935%0.354SS..THydrogen-bonded Turntrans74.111.9-178.400000115K5 F70K5-G72 PolarHBondContact N-O 2.7Å; K5-G72 VanDerWaalsContact N-O 3.08Å; F70-G72 VanDerWaalsContact C-N 3.26Å; F70-G72 PolarHBondContact O-N 3.24Å
73R87.9Confident84.1Confident145 Ų14566.1 Ų66.155%0.54737%0.373SS..EExtended strand (participates in β ladder)trans-120147.3178.1-49.1-173.2-167.6-169.86.1111K5 C69 F70 N71K5-R73 HydrophobicContact CB-CG 4.35Å; K5-R73 CarbonylContact O-C 3.56Å; K5-R73 VanDerWaalsContact O-CA 3.23Å; K5-R73 WeakPolarHBondContact O-CA 3.4Å; C69-R73 CarbonylContact C-O 3.42Å; C69-R73 WeakPolarHBondContact CA-O 3.34Å; F70-R73 PolarHBondContact N-O 3.29Å; F70-R73 WeakPolarHBondContact O-CB 3.49Å; F70-R73 PolarHBondContact O-N 2.85Å; N71-R73 VanDerWaalsContact C-N 3.27Å; N71-R73 PolarHBondContact O-N 3.12Å
74V92.6Very high81.5Confident0 Ų066.3 Ų66.30%038%0.384CS..EExtended strand (participates in β ladder)trans-119.4141.1169.4178.30000106.6T4 K5 I6 I7 V28 F46 L67 C69T4-V74 HydrophobicContact CG2-CG2 3.95Å; K5-V74 PolarHBondContact O-N 3.44Å; I6-V74 HydrophobicContact CB-CB 4.45Å; I6-V74 HydrophobicContact CG1-CB 4.09Å; I6-V74 HydrophobicContact CG1-CG2 4.4Å; I6-V74 HydrophobicContact CG2-CB 4.27Å; I6-V74 HydrophobicContact CG2-CG1 4.3Å; I7-V74 PolarHBondContact N-O 2.88Å; V28-V74 HydrophobicContact CG1-CG2 4.42Å; F46-V74 HydrophobicContact CD1-CG1 3.51Å; F46-V74 HydrophobicContact CE1-CG1 3.88Å; L67-V74 HydrophobicContact CB-CG1 4.06Å; L67-V74 HydrophobicContact CB-CG2 4.07Å; L67-V74 HydrophobicContact CD1-CG1 4.35Å; C69-V74 HydrophobicContact CB-CG2 4.05Å
75V92.8Very high79.2Confident38 Ų3869.4 Ų69.423%0.2339%0.394CS..EExtended strand (participates in β ladder)trans-115.6132.5171.6-178.60000108.4I7 F46 K47 W77I7-V75 CarbonylContact O-C 3.28Å; I7-V75 WeakPolarHBondContact O-CA 3.34Å; F46-V75 WeakPolarHBondContact CA-O 3.48Å; K47-V75 HydrophobicContact CB-CB 3.91Å; K47-V75 HydrophobicContact CB-CG1 4.45Å; K47-V75 PolarHBondContact N-O 2.86Å; V75-W77 HydrophobicContact CG1-CH2 3.87Å; V75-W77 HydrophobicContact CG1-CZ2 4.11Å; V75-W77 HydrophobicContact CG1-CZ3 4.24Å
76S93.6Very high76.5Confident0 Ų074.3 Ų74.30%042%0.422CS..EExtended strand (participates in β ladder)trans-135.4158-174.8-170.70000112.6I7 Y8 H9 F45 F46 L78I7-S76 PolarHBondContact O-N 3.27Å; Y8-S76 WeakPolarHBondContact CA-O 3.17Å; H9-S76 PolarHBondContact N-O 3.16Å; H9-S76 PolarHBondContact ND1-O 2.82Å; F45-S76 CarbonylContact O-C 3.57Å; F45-S76 WeakPolarHBondContact O-CA 3.33Å; F45-S76 WeakPolarHBondContact O-CB 3.36Å; F45-S76 PolarHBondContact O-OG 3.44Å; F46-S76 VanDerWaalsContact CE1-OG 3.29Å; F46-S76 WeakPolarHBondContact CE1-OG 3.42Å; S76-L78 WeakPolarHBondContact OG-CD1 3.42Å
77W93.1Very high74Confident75 Ų7574.5 Ų74.528%0.28444%0.435SS..EExtended strand (participates in β ladder)trans-130125.8167-61.1-98.9000108.3H9 F45 K47 K57 V75H9-W77 HydrophobicContact CB-CG 4.34Å; H9-W77 AromaticContact CE1-CE2 3.93Å; H9-W77 AromaticContact CE1-NE1 3.65Å; H9-W77 AromaticContact CG-CD1 3.62Å; H9-W77 AromaticContact CG-NE1 3.63Å; H9-W77 AromaticContact ND1-CD1 3.47Å; H9-W77 AromaticContact ND1-CE2 3.67Å; H9-W77 AromaticContact ND1-CG 3.98Å; H9-W77 AromaticContact ND1-NE1 3.23Å; H9-W77 PolarHBondContact ND1-NE1 2.87Å; F45-W77 HydrophobicContact CB-CB 4.34Å; F45-W77 PolarHBondContact N-O 2.87Å; F45-W77 PolarHBondContact O-N 3.11Å; K47-W77 HydrophobicContact CB-CH2 4.02Å; K47-W77 HydrophobicContact CB-CZ3 3.9Å; K57-W77 HydrophobicContact CD-CD2 4.41Å; K57-W77 HydrophobicContact CD-CE3 4.15Å; K57-W77 HydrophobicContact CG-CE3 4.1Å; K57-W77 HydrophobicContact CG-CZ3 4.28Å; V75-W77 HydrophobicContact CG1-CH2 3.87Å; V75-W77 HydrophobicContact CG1-CZ2 4.11Å; V75-W77 HydrophobicContact CG1-CZ3 4.24Å
78L92.3Very high71.3Confident1 Ų178.4 Ų78.41%0.00548%0.477CS..EExtended strand (participates in β ladder)trans-101.5120.6177.3-83.354.8000107.4Y8 H9 L10 D11 F33 L37 Y42 K43 F44 S76Y8-L78 HydrophobicContact CD2-CD1 4.3Å; Y8-L78 HydrophobicContact CD2-CD2 3.84Å; Y8-L78 HydrophobicContact CE2-CD2 4.15Å; Y8-L78 HydrophobicContact CG-CD1 4.43Å; H9-L78 PolarHBondContact O-N 3.16Å; L10-L78 HydrophobicContact CD1-CB 4.02Å; L10-L78 HydrophobicContact CD1-CD2 3.9Å; D11-L78 PolarHBondContact N-O 2.86Å; F33-L78 HydrophobicContact CE1-CD1 3.9Å; F33-L78 HydrophobicContact CZ-CD1 3.99Å; L37-L78 HydrophobicContact CD1-CD2 3.73Å; L37-L78 HydrophobicContact CD2-CD2 3.51Å; L37-L78 HydrophobicContact CG-CD2 4.28Å; Y42-L78 HydrophobicContact CD1-CB 3.7Å; Y42-L78 HydrophobicContact CD1-CG 4.45Å; Y42-L78 HydrophobicContact CE1-CB 4.33Å; Y42-L78 HydrophobicContact CG-CB 4.27Å; K43-L78 WeakPolarHBondContact O-CA 3.32Å; F44-L78 HydrophobicContact CD1-CD1 3.79Å; F44-L78 HydrophobicContact CD1-CG 3.93Å; F44-L78 HydrophobicContact CE1-CD1 4.02Å; F44-L78 HydrophobicContact CE1-CD2 4.05Å; F44-L78 HydrophobicContact CE1-CG 3.8Å; S76-L78 WeakPolarHBondContact OG-CD1 3.42Å
79V88.8Confident68.6Low59 Ų5981 Ų8136%0.35851%0.507SS..EExtended strand (participates in β ladder)trans-114.6125.3177.1-177.10000108.4Y42 K43 F45Y42-V79 WeakPolarHBondContact CA-O 3.34Å; K43-V79 PolarHBondContact N-O 3.3Å; K43-V79 PolarHBondContact O-N 3.15Å; F45-V79 HydrophobicContact CD2-CG2 3.94Å; F45-V79 HydrophobicContact CE2-CB 4.09Å; F45-V79 HydrophobicContact CE2-CG2 3.75Å
80S85.8Confident66.2Low47 Ų4785 Ų8533%0.32954%0.536SS..EExtended strand (participates in β ladder)trans-58.6135.4177.6-62.20000111.1D11 Y42 D82D11-S80 VanDerWaalsContact CG-OG 3.29Å; D11-S80 WeakPolarHBondContact OD1-CB 3.29Å; D11-S80 PolarHBondContact OD1-N 3.22Å; D11-S80 PolarHBondContact OD1-OG 2.89Å; D11-S80 PolarHBondContact OD2-OG 2.79Å; D11-S80 VanDerWaalsContact OD2-OG 3.13Å; Y42-S80 WeakPolarHBondContact CE1-OG 3.04Å; S80-D82 PolarHBondContact O-N 3.09Å
81G67.9Low63.9Low47 Ų4787.5 Ų87.549%0.48556%0.559SS.*SBendtrans-72.2-23-172.100000115.5N41 G83N41-G81 PolarHBondContact O-N 3.07Å; G81-G83 PolarHBondContact O-N 2.93Å
82D56.9Low61.7Low132 Ų13284.1 Ų84.171%0.70655%0.554SS**  trans-86.389-177.6-76.1-59.7000111.7S80 A84S80-D82 PolarHBondContact O-N 3.09Å; D82-A84 PolarHBondContact O-N 2.81Å
83G47.8Very low59.2Low84 Ų8489.4 Ų89.487%0.86658%0.576SS**  trans-71.968.8174.700000113.6G81G81-G83 PolarHBondContact O-N 2.93Å
84A33.1Very low56.2Low78 Ų7888.1 Ų88.165%0.64559%0.589SS**  trans-108.788.2174.400000111.2D82 T86D82-A84 PolarHBondContact O-N 2.81Å; A84-T86 PolarHBondContact O-N 2.91Å
85H43.5Very low53.4Low198 Ų19895.4 Ų95.492%0.91763%0.627SS**  trans-58.2122.6166-88.5-85.2000109.9
86T32.4Very low50.3Low129 Ų129100.9 Ų100.979%0.79165%0.65SS**  trans-133.8126.5165.636.30000109.1A84A84-T86 PolarHBondContact O-N 2.91Å
87D37.1Very low47.2Very low166 Ų166108.5 Ų108.589%0.88869%0.686SS**  trans-69.6164.4177.4-67.8-72.6000112.1
88G35.3Very low44.1Very low88 Ų88110.7 Ų110.791%0.90771%0.708SS**  trans-58.3144-161.600000117
89G30.4Very low41.3Very low76 Ų76116.4 Ų116.478%0.78475%0.745SS**  trans-155.3110.5170.500000111.3
90S35.4Very low38.8Very low127 Ų127119.7 Ų119.789%0.88877%0.768SS**  trans-76.5131.1178.8-39.10000111.8
91V34.1Very low36.2Very low151 Ų151125.3 Ų125.392%0.91579%0.793SS**  trans-145.8150.6150.7-87.80000109
92A33.1Very low34.5Very low97 Ų97131.5 Ų131.580%0.80281%0.809SS**  trans-105.7166.7-174.200000112.5
93D29.4Very low33.3Very low139 Ų139136.4 Ų136.474%0.74382%0.818SS**  trans60.5113.6150.3-16529.3000119.8
94S25.8Very low32.6Very low119 Ų119138.8 Ų138.883%0.83282%0.816SS**  -163.1131.3122.7-78.20000110.3
95L33.4Very low32.4Very low152 Ų152138.9 Ų138.980%0.79683%0.825SS**  trans-91.4174.9170.8-120.9146.8000110.6
96E28.2Very low31.7Very low154 Ų154132.8 Ų132.872%0.7282%0.815SS**  trans71.6154.8168.9-60-147.5139.400119.4
97Q27.4Very low31.6Very low159 Ų159135.1 Ų135.174%0.74382%0.821SS**  cis-156172-35.9-114.8-169.36100108.6
98T28.8Very low31.4Very low121 Ų121130.9 Ų130.974%0.74282%0.816SS**  trans-73.5148.6176.7450000113.3
99P33.5Very low31Very low121 Ų121134 Ų13479%0.78681%0.812SS**  trans-81.1147-171.632.6-37000114.6
100P35.3Very low31.1Very low129 Ų129135.5 Ų135.584%0.83881%0.81SS**  trans-90.8174.8169.136.9-34.4000113.4
101L31.3Very low30.9Very low165 Ų165140.7 Ų140.786%0.86481%0.81SS**  trans-88.5172.4-166.8-139.172.3000115.2
102E33.1Very low31.6Very low177 Ų177138.7 Ų138.783%0.82780%0.801SS**  trans-49.3144.6-176.1-52.4171.8104.200116.8
103R31.8Very low32.5Very low235 Ų235139.2 Ų139.289%0.88780%0.796SS**  trans-154.9102.3138.4-154.1169.9176.297-2.1115.5
104T31.7Very low32.5Very low134 Ų134137.5 Ų137.582%0.82279%0.794SS**  trans34.5103.4138.5-390000120.8
105G29.5Very low32.7Very low80 Ų80141.7 Ų141.783%0.82579%0.794SS**  101.6122.2113.200000121.5
106G29.3Very low32.8Very low69 Ų69142.4 Ų142.471%0.71179%0.793SS**  trans125.2115.9132.100000119.2
107I30.1Very low32.9Very low179 Ų179138 Ų13892%0.91879%0.789SS**  trans53.6101.2139.5-51.1158000115.7
108G32.1Very low33.2Very low76 Ų76140.5 Ų140.578%0.78480%0.797SS**  108.1162.978.500000109.5
109D27.8Very low33.3Very low155 Ų155139.2 Ų139.283%0.82980%0.798SS**  cis-159.5174.5-9.9-170.410.6000108.4
110S32.8Very low33.3Very low106 Ų106138.1 Ų138.174%0.74180%0.8SS**  trans70.2110.2162.369.60000121.1
111R31Very low33Very low236 Ų236138.1 Ų138.189%0.89180%0.803SS**  trans-83.4178.3142.4-123.9-174.3167.1-170.7-1.4108
112P48.3Very low32.8Very low110 Ų110133.3 Ų133.371%0.71479%0.793SS**  cis-127.1-110.6-8.923.83.8000115.3
113P51.9Low32.9Very low108 Ų108136.2 Ų136.270%0.70180%0.797SS**  -134.1-162.3-119.745.5-26.4000117.3
114S30.5Very low32.9Very low102 Ų102131 Ų13171%0.71379%0.786SS**  trans86.3152.4169.4790000116.2
115Y28.5Very low32.9Very low208 Ų208129.8 Ų129.882%0.81678%0.784SS**  cis-136.5-179.924-128.3-91.7000115.6
116H35.5Very low33.5Very low167 Ų167133.3 Ų133.377%0.77378%0.783SS**  trans-64.3167.3-177-73.7-96.6000116.6
117G30.4Very low33.7Very low62 Ų62137.3 Ų137.364%0.63979%0.788SS**  cis137.1-169.2-300000114.8
118K34Very low33.7Very low210 Ų210134.9 Ų134.991%0.91378%0.777SS**  trans75.6146.6-176.9-62.5-175.7178.6-178.20115.3
119A31.8Very low33.6Very low94 Ų94137 Ų13778%0.77777%0.77SS**  cis-159.3172.9-15.400000108
120A32.1Very low33.7Very low98 Ų98135.3 Ų135.381%0.8177%0.766SS**  cis-148.8178.113.400000113.3
121S29.4Very low33.7Very low129 Ų129138.5 Ų138.590%0.90277%0.769SS**  trans-58.1167.5-177.9-44.60000116.4
122G27.2Very low33.9Very low65 Ų65133.6 Ų133.667%0.6777%0.765SS**  cis-173.9154.83.300000111.1
123R34.8Very low33.1Very low238 Ų238132.1 Ų132.190%0.89877%0.77SS**  60.6134.183.6-92.2-172.1174.7-130.81.4114
124N33Very low32.1Very low124 Ų124132.4 Ų132.466%0.66377%0.774SS**  cis-134.4158.618.3-76.9-37.9000110.3
125S30.2Very low32.1Very low110 Ų110135 Ų13577%0.76978%0.779SS**  75.2130.251.4-156.70000115
126L42.4Very low32.1Very low153 Ų153130.8 Ų130.880%0.80178%0.775SS**  trans-67.8152.7164.7-66.677.8000109.5
127D33.8Very low31.9Very low153 Ų153126.9 Ų126.982%0.81877%0.766SS**  -176.2167.3102.6-122.8-43.1000115
128N30.2Very low32.1Very low129 Ų129131.8 Ų131.869%0.6977%0.772SS**  trans75.8150.3153.9-119.831.7000125.3
129D29.3Very low32Very low121 Ų121132.1 Ų132.165%0.64777%0.767SS**  trans75.5101.2150.4-75.5-47000124.2
130T31.7Very low32.1Very low119 Ų119138.6 Ų138.673%0.7377%0.772SS**  75145.7105.8-56.40000122
131E31.4Very low32.1Very low172 Ų172140 Ų14080%0.80477%0.766SS**  trans95.1126.2158.5-118.9-179.8138.800122.7
132T35.3Very low32.2Very low133 Ų133144 Ų14482%0.81676%0.761SS**  trans-50.6135.4159.623.50000113.9
133G32.8Very low32.5Very low79 Ų79146.2 Ų146.281%0.81476%0.758SS**  trans-170.892.3171.800000114.4
134S29.6Very low32.5Very low114 Ų114143.1 Ų143.180%0.79775%0.746SS**  trans-78.6175.2166.2-720000111.3
135I30.4Very low32.3Very low157 Ų157144 Ų14481%0.80575%0.746SS**  trans104.893.5156.4-54.1155.7000117.4
136V29.8Very low32.6Very low120 Ų120149.6 Ų149.673%0.72775%0.75SS**  76.885.8128.4-178.90000121.2
137S30.4Very low32.8Very low84 Ų84147 Ų14759%0.58774%0.742SS**  77.9157103.4950000125.2
138Q35Very low32.7Very low165 Ų165151 Ų15177%0.77175%0.746SS**  trans73.1132.8151.5-69.8175.433.300117.5
139R31.2Very low32.9Very low217 Ų217156.8 Ų156.882%0.81976%0.758SS**  -151162.353.7-77.3176.6173.1-89.5-3.3115.2
140R35.1Very low32.8Very low231 Ų231160.4 Ų160.487%0.87277%0.768SS**  trans73.6136.2169.1-57.1-175.2-172.5179.33.4117.8
141D30.2Very low32.7Very low128 Ų128162.5 Ų162.568%0.68477%0.769SS**  cis-162.6153.3-37.6-119.8-62.4000109
142R32.9Very low32.8Very low211 Ų211160.7 Ų160.780%0.79677%0.77SS**  trans3.3144.1157.2-67.8165.2147.8164.9-6119.1
143D32.5Very low32.6Very low112 Ų112161.2 Ų161.260%0.59977%0.768SS**  cis-172.3175.56.5-107.44000105.2
144R36Very low32.4Very low174 Ų174163.3 Ų163.366%0.65776%0.76SS**  cis-169.4169-0-116.7176.8149.775.717.5107
145E28.8Very low32.5Very low141 Ų141166.6 Ų166.666%0.65976%0.763SS**  cis-153.4-141.5-14.3-157.4153.4-156.200109
146R36.5Very low32.3Very low229 Ų229163 Ų16386%0.86476%0.764SS**  trans-149.8-166.6173-65.2-171.6163.7-175.3-5.2107.2
147P46.6Very low32.3Very low97 Ų97160.7 Ų160.763%0.6377%0.766SS**  cis-149.7-176.10.845-24.7000119.2
148R31.7Very low32.3Very low239 Ų239168.7 Ų168.790%0.90278%0.783SS**  trans83.8162.1140.5-86.5163.7-171.6155.11.3122.6
149R33.2Very low32.4Very low250 Ų250168.8 Ų168.894%0.94378%0.783SS**  trans-103.8153.4-178.9-48.3165.9173.4169.2-6110.7
150K28.2Very low32.5Very low197 Ų197165.7 Ų165.786%0.85778%0.783SS**  -178.1166.6123.9-149162.9-179.9-174.50112.5
151H29.8Very low32.3Very low162 Ų162158.1 Ų158.175%0.7578%0.777SS**  trans-46.1158.6171.5-56.8-111.2000113.8
152T31.8Very low32.5Very low135 Ų135161 Ų16183%0.82878%0.779SS**  -165.6164.36144.80000115.8
153N31.3Very low32.3Very low143 Ų143155.8 Ų155.877%0.76578%0.775SS**  trans5.6149.7152.6-93.853.1000124.9
154D29Very low32.3Very low123 Ų123153.5 Ų153.566%0.65877%0.768SS**  121.3163.4126.9-107.1-73.2000122.4
155H31.3Very low32.1Very low183 Ų183155.8 Ų155.885%0.84778%0.776SS**  trans-89.9157.9-152.1-57.1-57.9000119.4
156G28Very low32.3Very low81 Ų81154.8 Ų154.884%0.83578%0.78SS**  127.7140.1122.500000121.7
157G27.8Very low32.1Very low73 Ų73151.9 Ų151.975%0.75378%0.778SS**  trans83115.7160.700000117.2
158R31.5Very low31.2Very low252 Ų252150.3 Ų150.395%0.95178%0.78SS**  60.7128.461.6-62.2-171.3174.6-162.9-0.8113
159Q36.1Very low31.3Very low166 Ų166150.8 Ų150.878%0.77678%0.782SS**  180147.664.4-175166.326.600113.7
160N33.4Very low31Very low152 Ų152142.2 Ų142.281%0.81377%0.771SS**  trans32.1154154.8-53.8-0.3000123.7
161G31.8Very low31.1Very low72 Ų72137.9 Ų137.974%0.74277%0.772SS**  cis153.5173.5-8.800000116.3
162Y33.7Very low31.2Very low190 Ų190134.5 Ų134.575%0.74577%0.772SS**  trans72.5118.3157.4-179.4-105.9000123.8S164Y162-S164 PolarHBondContact OH-OG 2.8Å
163S30.3Very low30.9Very low100 Ų100135.7 Ų135.770%0.69977%0.773SS**  trans162.1148.8131.9-77.30000112.6
164S30.9Very low31.3Very low64 Ų64139 Ų13945%0.44878%0.777SS.*  cis-172.1151.4-26.3-162.30000110.3Y162Y162-S164 PolarHBondContact OH-OG 2.8Å
165R31.6Very low31.2Very low222 Ų222138.9 Ų138.984%0.83878%0.776SS**  trans70.2144.2162.6-67.5156.2-168.8-132.4-3118.8
166T33.5Very low31.3Very low121 Ų121134.8 Ų134.874%0.74277%0.768SS**  cis172.7150-2824.10000106.2
167M31.7Very low31Very low167 Ų167137.4 Ų137.482%0.82377%0.772SS**  cis-135.4-165.47.5-106.3-63.4176.500108.1
168G28.6Very low31.7Very low64 Ų64139.3 Ų139.366%0.6677%0.774SS**  cis96.7133.616.800000112.1
169R34Very low31.6Very low250 Ų250133.1 Ų133.194%0.94377%0.769SS**  cis-140.6156.712.8-70175160.6-128.8-1111.4
170G27.1Very low31.4Very low69 Ų69134.5 Ų134.571%0.71177%0.773SS**  cis157.8171.5-6.100000113.3
171A29.7Very low31.3Very low107 Ų107135.4 Ų135.488%0.88477%0.774SS**  trans69125.2-179.400000116.1
172A32.4Very low31Very low90 Ų90136.5 Ų136.574%0.74477%0.771SS**  cis-146.5124.7-6.900000112.7
173D25.8Very low31.1Very low161 Ų161132 Ų13286%0.86177%0.766SS**  trans40.9112.7145.5-54.2-9000121.9
174Y39.9Very low31.1Very low213 Ų213135.4 Ų135.484%0.83577%0.771SS**  trans-61.5170.2144.6-132.7-135000109.3
175D26.8Very low31.3Very low119 Ų119138.1 Ų138.164%0.63678%0.78SS**  cis-167.9177.635.9-159.6-21.8000110.1
176S32Very low31.3Very low97 Ų97135 Ų13568%0.67878%0.775SS**  trans-25.8133.8165.7-50.80000118.9
177C22.1Very low31.2Very low136 Ų136134.2 Ų134.292%0.91978%0.775SS**  179.5151.1122.1-93.10000112.2
178S43.4Very low31.1Very low114 Ų114132.9 Ų132.980%0.79778%0.776SS**  trans-83.2134.5177.457.40000113.6
179S29Very low31.3Very low122 Ų122134.5 Ų134.585%0.85378%0.778SS**  trans-158.4155.9161.4-830000113.7
180F31.6Very low31.1Very low195 Ų195127.2 Ų127.286%0.85576%0.764SS**  trans-68.6140.6-179.9-53.5-103.3000112.9
181M30.3Very low31.4Very low170 Ų170133 Ų13384%0.83777%0.77SS**  -154.1145.8107.4-62.9-145.580.500105.8
182S27.3Very low31.3Very low96 Ų96134.1 Ų134.167%0.67176%0.761SS**  cis62.713250-71.10000114.5
183S35.5Very low31.7Very low94 Ų94133.4 Ų133.466%0.65775%0.75SS**  cis-167.7-179.7-13.1-81.50000107.8
184E30.1Very low32.3Very low172 Ų172134.3 Ų134.380%0.80475%0.75SS**  trans78.3145.8151.7-48.2-149145.800118.5
185L34.5Very low32.2Very low122 Ų122132 Ų13264%0.63975%0.752SS**  cis-159.1166.8-10-113.5169.1000111.1
186E31.5Very low32.8Very low155 Ų155133.5 Ų133.572%0.72476%0.76SS**  trans50.4132.6162.7-73.8150.599.500121.1
187S32.1Very low33Very low105 Ų105136 Ų13673%0.73477%0.765SS**  cis95.6145.924.7-63.60000116.1
188T30.4Very low33.5Very low139 Ų139132.9 Ų132.985%0.85375%0.75SS**  trans84.7148.5176.772.40000117.8
189S32Very low33.2Very low99 Ų99134.5 Ų134.569%0.69276%0.755SS**  cis-167.9144.8-28.954.40000111.7
190C29.8Very low33.3Very low97 Ų97133.2 Ų133.266%0.65575%0.746SS**  trans7.8158.215761.20000124.7
191F32.5Very low33.5Very low190 Ų190133.8 Ų133.883%0.83374%0.742SS**  trans71.1155.7154.8-75.9-55.3000117.1
192D29.1Very low33.5Very low130 Ų130134.8 Ų134.870%0.69574%0.742SS**  cis-154.7165.9-9.3-164.131.1000112.5
193S39.4Very low33.7Very low75 Ų75135.6 Ų135.652%0.52475%0.748SS.*  trans23.6125.3152-59.70000125.1
194E39.7Very low33.6Very low181 Ų181136.5 Ų136.585%0.84675%0.754SS**  73.6166.3120-61.9-172.1132.300124.7
195D36.2Very low33.7Very low164 Ų164133 Ų13388%0.87775%0.749SS**  trans92.6162.2163.4-120.2-64.2000120.8
196D40.9Very low33.7Very low151 Ų151132.6 Ų132.681%0.80775%0.752SS**  trans-118.8-173.2-134.2-150.3-23.2000115.5
197D36.3Very low34Very low149 Ų149132.2 Ų132.280%0.79775%0.75SS**  trans106.1161.5145.1-137.3-16.1000119.1
198A32.1Very low34.2Very low71 Ų71134 Ų13459%0.58775%0.746SS**  trans-71.2164.1-154.500000114.8
199T37Very low34.2Very low148 Ų148131.4 Ų131.491%0.90873%0.734SS**  -161.4169.391.519.60000114.5
200S32.1Very low34.2Very low95 Ų95131.5 Ų131.566%0.66473%0.734SS**  trans-104.9175-170.859.50000114
201R33.9Very low34.5Very low207 Ų207130.7 Ų130.778%0.78173%0.73SS**  trans91.9147.1175.5-53.5162.2154132.9-6.6113.4
202F31Very low34.9Very low191 Ų191132.1 Ų132.184%0.83873%0.73SS**  cis-128.517917.2-75.1-92.7000114
203S31.4Very low35.5Very low112 Ų112132.8 Ų132.878%0.78373%0.733SS**  trans-118.1-173.4-177.4-480000112.4
204S33.2Very low35.7Very low114 Ų114136.3 Ų136.380%0.79774%0.743SS**  trans86.4146.7-176.278.70000114.2
205S32.8Very low35.7Very low98 Ų98138 Ų13869%0.68574%0.741SS**  cis-124.71458.2-62.30000111.2
206T34.3Very low36Very low114 Ų114140 Ų14070%0.69974%0.737SS**  54.3122.985.2-12.30000111.8
207E38.1Very low35.9Very low146 Ų146141.1 Ų141.168%0.68274%0.737SS**  cis-158.4162.746.6-90.9-76.682.700109.2
208Q36.3Very low36Very low143 Ų143145.8 Ų145.867%0.66874%0.743SS**  cis-160.9-158.8-12.2-153.1-157.897.900109.9
209S31.4Very low36.4Very low85 Ų85153.9 Ų153.959%0.59476%0.758SS**  trans4.3156.2152.9-87.30000123.4
210S31.6Very low36.4Very low100 Ų100159 Ų15970%0.69976%0.761SS**  cis158.1153.9-18.957.30000107
211S34.6Very low36.6Very low81 Ų81165.7 Ų165.757%0.56677%0.772SS**  cis-171170-24.2630000112
212R41.8Very low36.7Very low220 Ų220167.1 Ų167.183%0.8378%0.777SS**  trans73140.9148.7-73.4162.8-151.5-125.3-0.7117.5
213L41.9Very low37.1Very low144 Ų144167 Ų16775%0.75478%0.776SS**  cis-154.2169.2-2.9-83.5146.1000105.8
214M43.5Very low37.4Very low149 Ų149168 Ų16873%0.73478%0.78SS**  cis-155.7-148.63.3-119.2-88.3170.400106.3
215R40.6Very low37.5Very low215 Ų215172 Ų17281%0.81178%0.783SS**  cis-152118.82.9-150.2-180-162.7-161.76.6111.5
216R42.3Very low37.4Very low208 Ų208171.8 Ų171.879%0.78579%0.787SS**  trans48.4116.1158-69.4179.6173.9-179.1-2.5119.5
217H37.9Very low37.3Very low174 Ų174171.8 Ų171.881%0.80679%0.791SS**  73.6112.871.1-83-67.3000117.2
218R38.5Very low36.8Very low246 Ų246172.1 Ų172.193%0.92880%0.798SS**  -168134.691.8-102.4178.2173.7173-1.4112.7
219R39.9Very low36.5Very low241 Ų241174.3 Ų174.391%0.90981%0.81SS**  trans-92.8151.7166.5-73.8175.9168.2169.4-5.8110.2
220R37.7Very low36.5Very low255 Ų255176.6 Ų176.696%0.96282%0.816SS**  trans-152.9155.9142-110.3168.4-172.3-168.4-0110.7
221R36.7Very low36.4Very low237 Ų237183.2 Ų183.289%0.89483%0.826SS**  trans-104.8155-168.4-61.9167.3164169.4-9.2111.3
222R36.3Very low35.8Very low237 Ų237185.2 Ų185.289%0.89484%0.84SS**  173140.8111-95.6168.8176.3-170.8-1.6114.8
223K38.8Very low35.9Very low189 Ų189180 Ų18082%0.82284%0.837SS**  trans42.8121.6151.7-66.9-166.6173.2-166.60120.4
224P37.8Very low35.5Very low132 Ų132178.6 Ų178.686%0.85784%0.839SS**  trans-71.3159.1144.433.8-33.2000110.5
225K34.3Very low34.8Very low199 Ų199179.8 Ų179.887%0.86584%0.841SS**  trans-131.4135170.2179.5175.9176.5-1780108.2
226A30.6Very low34.8Very low92 Ų92175.6 Ų175.676%0.7684%0.844SS**  trans-66.6144.8177.800000111.9
227S33Very low34.7Very low114 Ų114170.1 Ų170.180%0.79784%0.838SS**  trans-120.111517051.30000108.7
228N28.5Very low34.5Very low154 Ų154168.6 Ų168.682%0.82483%0.834SS**  trans-65.2147166.1-66.3-1.8000109
229M30Very low34.7Very low188 Ų188163.1 Ų163.193%0.92683%0.828SS**  trans-144.791.4167.8-164.8151.768.900109.6
230D29.6Very low34.6Very low134 Ų134158.4 Ų158.472%0.71782%0.821SS**  trans-82.4138.9175.2-87.3-75.3000111.4
231R29.9Very low34.4Very low239 Ų239151.8 Ų151.890%0.90281%0.814SS**  trans51.895.1155.1-64.3179.2166.2-161.6-6.8117.9
232S23.4Very low34.5Very low122 Ų122145.6 Ų145.685%0.85380%0.803SS**  -145.7136117.8-167.40000110.7
233S42.9Very low34.9Very low110 Ų110142.3 Ų142.377%0.76980%0.799SS**  trans-91.3111.6-176.550.10000111.4
234S33.8Very low35.2Very low115 Ų115137 Ų13780%0.80479%0.786SS**  trans-168.796.4159.9-81.70000111.3
235F28.9Very low36.3Very low175 Ų175136 Ų13677%0.76877%0.773SS**  trans-149.542.2158.8-145.1-91.7000113S237F235-S237 PolarHBondContact O-N 3.4Å
236S39.9Very low38.1Very low127 Ų127131.3 Ų131.389%0.88876%0.757SS**  trans-83.462.2171.6-59.50000110.8
237S39.5Very low40.8Very low92 Ų92131 Ų13164%0.64374%0.742SS**  trans-152.180.3178.2-70.10000112.1F235F235-S237 PolarHBondContact O-N 3.4Å
238I33.8Very low43.4Very low143 Ų143127.2 Ų127.273%0.73371%0.713SS**SBendtrans-170.7114.3144.7-94.8146.1000107.2D240I238-D240 PolarHBondContact O-N 2.93Å
239T42.6Very low46.3Very low131 Ų131123.4 Ų123.480%0.80470%0.695SS**  trans45.255.4164620000118.7S241T239-S241 PolarHBondContact O-N 3.08Å
240D38.3Very low49.1Very low141 Ų141114.5 Ų114.575%0.75465%0.651SS**  trans-90.288.3164.4-161.4-57.4000109.6I238I238-D240 PolarHBondContact O-N 2.93Å
241S34.5Very low52Low116 Ų116112.1 Ų112.181%0.81164%0.642SS**  trans-153.427.3-178.4-66.10000114.2T239T239-S241 PolarHBondContact O-N 3.08Å
242T38.4Very low54.8Low108 Ų108101 Ų10166%0.66360%0.6SS**SBendtrans-124.4145.8158.544.60000106.9S244T242-S244 PolarHBondContact O-N 3.21Å; T242-S244 PolarHBondContact O-OG 2.9Å
243M43.9Very low57.6Low168 Ų16898.2 Ų98.283%0.82858%0.575SS**  trans-66.282.5178.6-84.7-159.9162.400111.6L245M243-L245 PolarHBondContact O-N 3.19Å
244S44.6Very low59.5Low78 Ų7894 Ų9455%0.54554%0.544SS..  trans-78.9113.3173.2-51.20000107T242 N246T242-S244 PolarHBondContact O-N 3.21Å; T242-S244 PolarHBondContact O-OG 2.9Å; S244-N246 PolarHBondContact O-N 2.9Å; S244-N246 VanDerWaalsContact O-N 3.11Å
245L60.9Low61.7Low109 Ų10996.4 Ų96.457%0.57154%0.542SS*.  trans-52.9122.3156.6-66.6176.3000106M243 I247 A334M243-L245 PolarHBondContact O-N 3.19Å; L245-I247 HydrophobicContact CB-CD1 4.3Å; L245-I247 HydrophobicContact CB-CG1 4.06Å; L245-I247 WeakPolarHBondContact O-CG1 3.43Å; L245-I247 PolarHBondContact O-N 3.33Å; L245-A334 HydrophobicContact CB-CB 4.34Å
246N73.9Confident64Low101 Ų10194.9 Ų94.954%0.5454%0.536SS..EExtended strand (participates in β ladder)trans-74.183.5-178.917112000107.8S244 K335S244-N246 PolarHBondContact O-N 2.9Å; S244-N246 VanDerWaalsContact O-N 3.11Å; N246-K335 HydrophobicContact CB-CB 3.98Å; N246-K335 HydrophobicContact CB-CG 4.38Å; N246-K335 WeakPolarHBondContact O-CB 3.39Å; N246-K335 WeakPolarHBondContact O-CG 3.31Å; N246-K335 PolarHBondContact O-N 3.23Å
247I86.3Confident65.9Low87 Ų8791.7 Ų91.745%0.44650%0.504SS..EExtended strand (participates in β ladder)trans-82.8119.2-177.6-67.1166.5000108L245 L300 T332 V333 A334L245-I247 HydrophobicContact CB-CD1 4.3Å; L245-I247 HydrophobicContact CB-CG1 4.06Å; L245-I247 WeakPolarHBondContact O-CG1 3.43Å; L245-I247 PolarHBondContact O-N 3.33Å; I247-L300 HydrophobicContact CD1-CD1 3.85Å; I247-L300 HydrophobicContact CG1-CD1 3.91Å; I247-L300 HydrophobicContact CG2-CD1 4.27Å; I247-T332 HydrophobicContact CG2-CG2 3.39Å; I247-V333 CarbonylContact C-O 3.55Å; I247-V333 WeakPolarHBondContact CA-O 3.02Å; I247-A334 HydrophobicContact CG1-CB 4.16Å
248I87.9Confident67.6Low34 Ų3493.5 Ų93.517%0.17451%0.507CS..EExtended strand (participates in β ladder)trans-111.7130.7174.560.1170.2000109.6V250 R292 I293 T332 V333 K335I248-V250 HydrophobicContact CD1-CG1 4.28Å; I248-R292 HydrophobicContact CD1-CB 3.9Å; I248-R292 WeakPolarHBondContact CD1-O 3.27Å; I248-I293 HydrophobicContact CD1-CG1 4.25Å; I248-T332 WeakPolarHBondContact O-CA 3.33Å; I248-V333 HydrophobicContact CD1-CG2 3.99Å; I248-V333 HydrophobicContact CG1-CG2 3.53Å; I248-V333 PolarHBondContact N-O 3.18Å; I248-V333 PolarHBondContact O-N 2.9Å; I248-K335 HydrophobicContact CD1-CD 4.48Å
249T88.6Confident70.1Confident73 Ų7388.7 Ų88.745%0.44848%0.481SS..EExtended strand (participates in β ladder)trans-99.7126.8165-55.10000108.9L331 T332T249-L331 CarbonylContact C-O 3.54Å; T249-L331 VanDerWaalsContact CA-O 3.32Å; T249-L331 WeakPolarHBondContact CA-O 3.39Å; T249-T332 WeakPolarHBondContact CG2-OG1 2.98Å; T249-T332 PolarHBondContact OG1-OG1 2.97Å
250V89.1Confident72.1Confident1 Ų182.9 Ų82.91%0.00645%0.445CS..EExtended strand (participates in β ladder)trans-118.5144.9176.2-48.50000109.5I248 L252 R292 I293 T330 L331I248-V250 HydrophobicContact CD1-CG1 4.28Å; V250-L252 HydrophobicContact CG2-CD1 4.19Å; V250-L252 HydrophobicContact CG2-CD2 4Å; V250-L252 HydrophobicContact CG2-CG 4.02Å; V250-R292 HydrophobicContact CG1-CB 4.2Å; V250-R292 VanDerWaalsContact CG1-CZ 3.47Å; V250-I293 HydrophobicContact CG1-CD1 4.41Å; V250-I293 HydrophobicContact CG1-CG1 4.25Å; V250-I293 HydrophobicContact CG2-CD1 3.56Å; V250-I293 HydrophobicContact CG2-CG1 4.22Å; V250-T330 WeakPolarHBondContact O-CA 3.44Å; V250-L331 HydrophobicContact CG2-CB 3.93Å; V250-L331 PolarHBondContact N-O 3.02Å; V250-L331 PolarHBondContact O-N 2.89Å
251T90.5Very high74.3Confident85 Ų8576.5 Ų76.552%0.52141%0.412SS..EExtended strand (participates in β ladder)trans-117.1122178.1-47.20000108.4P328 T330T251-P328 HydrophobicContact CG2-CB 4.08Å; T251-T330 HydrophobicContact CG2-CG2 4.18Å
252L88.2Confident76.9Confident5 Ų572.3 Ų72.33%0.02638%0.38CS..EExtended strand (participates in β ladder)trans-117.6121-167.4-56.5173.9000109.1V250 M254 L260 A286 V287 D290 P328 I329 L331V250-L252 HydrophobicContact CG2-CD1 4.19Å; V250-L252 HydrophobicContact CG2-CD2 4Å; V250-L252 HydrophobicContact CG2-CG 4.02Å; L252-M254 HydrophobicContact CB-CE 3.46Å; L252-M254 VanDerWaalsContact CB-CE 3.46Å; L252-M254 WeakPolarHBondContact O-CE 3.27Å; L252-M254 PolarHBondContact O-N 2.7Å; L252-L260 HydrophobicContact CD1-CD1 3.59Å; L252-A286 HydrophobicContact CB-CB 4.17Å; L252-V287 HydrophobicContact CD1-CG2 3.49Å; L252-V287 VanDerWaalsContact CD1-CG2 3.49Å; L252-D290 HydrophobicContact CD2-CB 3.54Å; L252-P328 WeakPolarHBondContact O-CA 3.45Å; L252-I329 PolarHBondContact N-O 3.29Å; L252-I329 PolarHBondContact O-N 3.13Å; L252-L331 HydrophobicContact CD1-CD1 3.65Å; L252-L331 HydrophobicContact CD1-CG 4Å
253N83.9Confident79.2Confident64 Ų6469.6 Ų69.634%0.34237%0.365SS..EExtended strand (participates in β ladder)trans-86.3109.4178.7-171.9-6.9000111E255 K256N253-E255 VanDerWaalsContact C-N 3.32Å; N253-E255 PolarHBondContact ND2-OE2 3.42Å; N253-E255 WeakPolarHBondContact OD1-CB 3.4Å; N253-E255 WeakPolarHBondContact OD1-CG 3.5Å; N253-E255 PolarHBondContact OD1-N 3.11Å; N253-E255 PolarHBondContact OD1-OE2 3.08Å; N253-K256 PolarHBondContact O-N 3.21Å
254M82.9Confident81.3Confident22 Ų2262.8 Ų62.811%0.10833%0.332CS..G310 helixtrans-70.1-23.1176.2-59.7-57.8108.600113.3L252 K256 Y257 L260 A286 G327 I329L252-M254 HydrophobicContact CB-CE 3.46Å; L252-M254 VanDerWaalsContact CB-CE 3.46Å; L252-M254 WeakPolarHBondContact O-CE 3.27Å; L252-M254 PolarHBondContact O-N 2.7Å; M254-K256 PolarHBondContact O-N 2.9Å; M254-K256 VanDerWaalsContact O-N 3.11Å; M254-Y257 CarbonylContact O-C 3.49Å; M254-Y257 VanDerWaalsContact O-C 3.28Å; M254-Y257 PolarHBondContact O-N 3.01Å; M254-Y257 VanDerWaalsContact O-N 3.12Å; M254-L260 HydrophobicContact CE-CD1 3.94Å; M254-L260 HydrophobicContact SD-CD1 4.49Å; M254-A286 HydrophobicContact CE-CB 3.46Å; M254-A286 VanDerWaalsContact CE-CB 3.46Å; M254-A286 HydrophobicContact SD-CB 4.38Å; M254-G327 WeakPolarHBondContact CG-O 3.44Å; M254-I329 HydrophobicContact CE-CB 4.26Å; M254-I329 HydrophobicContact CE-CD1 3.95Å; M254-I329 HydrophobicContact CE-CG1 4.23Å; M254-I329 HydrophobicContact CG-CD1 3.59Å; M254-I329 HydrophobicContact CG-CG1 3.85Å; M254-I329 HydrophobicContact SD-CD1 3.62Å; M254-I329 HydrophobicContact SD-CG1 4.34Å
255E78.4Confident83.2Confident165 Ų16562.4 Ų62.477%0.77133%0.326SS*.G310 helixtrans-60.2-24.6175.7-54.9168.3149.600112.6N253N253-E255 VanDerWaalsContact C-N 3.32Å; N253-E255 PolarHBondContact ND2-OE2 3.42Å; N253-E255 WeakPolarHBondContact OD1-CB 3.4Å; N253-E255 WeakPolarHBondContact OD1-CG 3.5Å; N253-E255 PolarHBondContact OD1-N 3.11Å; N253-E255 PolarHBondContact OD1-OE2 3.08Å
256K77.6Confident84.2Confident143 Ų14358.4 Ų58.462%0.62231%0.311SS*.G310 helixtrans-99.5-17.7-179.9-171.2-178.9172.8-144.40112.8N253 M254N253-K256 PolarHBondContact O-N 3.21Å; M254-K256 PolarHBondContact O-N 2.9Å; M254-K256 VanDerWaalsContact O-N 3.11Å
257Y79.4Confident84.1Confident60 Ų6058.3 Ų58.324%0.23531%0.307CS..  trans-142106-173.3-62.8-76.9000109.4M254 F259 A286 A289M254-Y257 CarbonylContact O-C 3.49Å; M254-Y257 VanDerWaalsContact O-C 3.28Å; M254-Y257 PolarHBondContact O-N 3.01Å; M254-Y257 VanDerWaalsContact O-N 3.12Å; Y257-F259 PolarHBondContact O-N 2.85Å; Y257-A286 HydrophobicContact CD2-CB 4.15Å; Y257-A286 HydrophobicContact CG-CB 4.09Å; Y257-A289 HydrophobicContact CD1-CB 4.26Å; Y257-A289 HydrophobicContact CE1-CB 3.49Å; Y257-A289 VanDerWaalsContact CE1-CB 3.49Å; Y257-A289 HydrophobicContact CE2-CB 3.88Å; Y257-A289 VanDerWaalsContact OH-CB 3.32Å; Y257-A289 WeakPolarHBondContact OH-CB 3.43Å
258N76.1Confident82.9Confident129 Ų12959.6 Ų59.669%0.6932%0.324SS*.SBendtrans-57.5-10.8-174.7-49.5-15.3000115.1
259F85.6Confident81.5Confident43 Ų4362.6 Ų62.619%0.18934%0.341CS..SBendtrans-151.5150.5-177.469.9-71.7000112Y257 M282 G285 A286 V685Y257-F259 PolarHBondContact O-N 2.85Å; F259-M282 HydrophobicContact CE2-CB 4.13Å; F259-M282 HydrophobicContact CE2-CE 4.45Å; F259-G285 WeakPolarHBondContact O-CA 3.34Å; F259-A286 PolarHBondContact O-N 3.46Å; F259-V685 WeakPolarHBondContact CB-O 3.28Å
260L85.1Confident79.6Confident9 Ų969 Ų695%0.04737%0.366CS..  trans-67.2-41.9-179.5-16865000112.2L252 M254 I262 A286 V287 L319 V323 I329 L331L252-L260 HydrophobicContact CD1-CD1 3.59Å; M254-L260 HydrophobicContact CE-CD1 3.94Å; M254-L260 HydrophobicContact SD-CD1 4.49Å; L260-I262 HydrophobicContact CD2-CD1 3.73Å; L260-I262 HydrophobicContact CD2-CG1 3.81Å; L260-I262 HydrophobicContact CG-CD1 4.31Å; L260-I262 HydrophobicContact CG-CG1 4.11Å; L260-A286 PolarHBondContact O-N 3.38Å; L260-V287 HydrophobicContact CD1-CG2 3.86Å; L260-V287 HydrophobicContact CG-CG2 3.98Å; L260-V287 WeakPolarHBondContact O-CG2 3.16Å; L260-V287 PolarHBondContact O-N 2.94Å; L260-L319 HydrophobicContact CD2-CD2 3.84Å; L260-V323 HydrophobicContact CB-CG2 3.95Å; L260-V323 HydrophobicContact CD2-CG2 4.06Å; L260-I329 HydrophobicContact CD1-CD1 4.45Å; L260-L331 HydrophobicContact CD1-CD1 4.28Å
261G84.1Confident77.9Confident6 Ų680.5 Ų80.56%0.06241%0.409CS..  trans78.234174.100000115.7I281 M282G261-I281 CarbonylContact O-C 3.57Å; G261-I281 WeakPolarHBondContact O-CA 3.49Å; G261-M282 PolarHBondContact O-N 2.99Å
262I89.5Confident75.9Confident29 Ų2979.7 Ų79.715%0.14942%0.417CS..EExtended strand (participates in β ladder)trans-122.5147.5172.961.9176.9000111.6L260 I264 I278 S280 I281 V287 L331L260-I262 HydrophobicContact CD2-CD1 3.73Å; L260-I262 HydrophobicContact CD2-CG1 3.81Å; L260-I262 HydrophobicContact CG-CD1 4.31Å; L260-I262 HydrophobicContact CG-CG1 4.11Å; I262-I264 HydrophobicContact CD1-CG2 4.27Å; I262-I278 HydrophobicContact CB-CG2 4.39Å; I262-I278 HydrophobicContact CD1-CD1 4.5Å; I262-I278 HydrophobicContact CG2-CG2 4.37Å; I262-S280 WeakPolarHBondContact CA-O 3.33Å; I262-I281 HydrophobicContact CG2-CG1 4.25Å; I262-V287 HydrophobicContact CG2-CB 3.67Å; I262-V287 HydrophobicContact CG2-CG1 3.68Å; I262-V287 HydrophobicContact CG2-CG2 3.62Å; I262-L331 HydrophobicContact CD1-CD1 4.4Å
263S86.1Confident74.3Confident50 Ų5085.2 Ų85.235%0.3545%0.447SS..EExtended strand (participates in β ladder)trans-103.9136163.4169.90000108.3I278 G279 S280S263-I278 CarbonylContact O-C 3.51Å; S263-G279 PolarHBondContact O-N 2.92Å; S263-S280 WeakPolarHBondContact CB-OG 3.42Å; S263-S280 PolarHBondContact N-O 3.45Å; S263-S280 PolarHBondContact O-N 2.9Å
264I89.1Confident73.4Confident25 Ų2582.8 Ų82.813%0.12844%0.437CS..EExtended strand (participates in β ladder)trans-111.4148.9176.258.4153.2000112.1I262 I276 Y277 L299 A315 V316 L319I262-I264 HydrophobicContact CD1-CG2 4.27Å; I264-I276 HydrophobicContact CB-CG2 3.8Å; I264-I276 HydrophobicContact CD1-CG2 3.67Å; I264-I276 HydrophobicContact CG1-CG2 4.36Å; I264-I276 HydrophobicContact CG2-CG2 4.03Å; I264-Y277 CarbonylContact C-O 3.53Å; I264-Y277 VanDerWaalsContact CA-O 3.24Å; I264-Y277 WeakPolarHBondContact CA-O 3.34Å; I264-L299 HydrophobicContact CG2-CD2 4.39Å; I264-A315 HydrophobicContact CD1-CB 3.99Å; I264-V316 HydrophobicContact CD1-CG2 3.81Å; I264-V316 HydrophobicContact CG1-CG2 4.1Å; I264-L319 HydrophobicContact CD1-CD1 3.6Å; I264-L319 HydrophobicContact CG1-CD1 4.08Å; I264-L319 HydrophobicContact CG2-CD1 3.98Å
265V84.9Confident73.4Confident71 Ų7182.2 Ų82.243%0.4344%0.437SS..EExtended strand (participates in β ladder)trans-129.8114.8178.4178.90000107.8Y277V265-Y277 PolarHBondContact N-O 2.84Å; V265-Y277 PolarHBondContact O-N 2.88Å
266G82.1Confident73.9Confident24 Ų2474.4 Ų74.425%0.24740%0.4CS..EExtended strand (participates in β ladder)trans-80.9127.8170.300000110.4N312G266-N312 PolarHBondContact N-ND2 2.81Å; G266-N312 VanDerWaalsContact N-ND2 3.12Å
267Q71.4Confident74.5Confident99 Ų9970.4 Ų70.446%0.46338%0.381SS..  trans-97.588.6172.5-66.9-176.321.900109.5N269 G274 G275 Y277Q267-N269 PolarHBondContact O-N 3.48Å; Q267-G274 CarbonylContact O-C 3.54Å; Q267-G274 WeakPolarHBondContact O-CA 3.35Å; Q267-G275 PolarHBondContact N-O 2.9Å; Q267-G275 VanDerWaalsContact N-O 3.09Å; Q267-Y277 HydrophobicContact CB-CD2 4.22Å; Q267-Y277 HydrophobicContact CB-CE2 3.95Å; Q267-Y277 VanDerWaalsContact CD-CE2 3.48Å; Q267-Y277 HydrophobicContact CG-CD2 3.71Å; Q267-Y277 HydrophobicContact CG-CE2 3.78Å
268S59.7Low75Confident115 Ų11567.6 Ų67.680%0.80437%0.37SS*.  trans-71100.5177.257.40000111.5
269N58.9Low75.4Confident97 Ų9763.2 Ų63.252%0.51936%0.356SS..  trans-71.8147.2165.1-73.3-50.1000110.4Q267 R271 G272 D273Q267-N269 PolarHBondContact O-N 3.48Å; N269-R271 PolarHBondContact O-N 2.82Å; N269-G272 PolarHBondContact O-N 3.42Å; N269-D273 WeakPolarHBondContact CB-O 3.26Å; N269-D273 PolarHBondContact ND2-O 2.78Å
270E49.8Very low75.4Confident208 Ų20863.8 Ų63.897%0.97237%0.366SS*.THydrogen-bonded Turntrans-61.6-5.8178.9-60.1-175.5151.600114.3
271R52.1Low75.5Confident242 Ų24265.3 Ų65.391%0.91337%0.373SS*.THydrogen-bonded Turntrans-102.13.2175.7-66.1-176173.1-137.2-2.6114.2N269 D273N269-R271 PolarHBondContact O-N 2.82Å; R271-D273 PolarHBondContact O-N 2.88Å
272G48.7Very low75.6Confident67 Ų6769.2 Ų69.269%0.69139%0.391SS*.SBendtrans81.6-15.7179.200000115.7N269 G274N269-G272 PolarHBondContact O-N 3.42Å; G272-G274 VanDerWaalsContact C-N 3.33Å; G272-G274 PolarHBondContact O-N 2.83Å
273D55.5Low75.2Confident122 Ų12277.8 Ų77.865%0.65243%0.427SS*.  trans-75.181.2173.2-175.613000110N269 R271N269-D273 WeakPolarHBondContact CB-O 3.26Å; N269-D273 PolarHBondContact ND2-O 2.78Å; R271-D273 PolarHBondContact O-N 2.88Å
274G65.1Low75Confident13 Ų1377.8 Ų77.813%0.13444%0.435CS..  trans-132.573.9-16300000114.7Q267 G272Q267-G274 CarbonylContact O-C 3.54Å; Q267-G274 WeakPolarHBondContact O-CA 3.35Å; G272-G274 VanDerWaalsContact C-N 3.33Å; G272-G274 PolarHBondContact O-N 2.83Å
275G82.9Confident74.8Confident10 Ų1076.6 Ų76.610%0.10343%0.429CS..  trans-57.8157-17500000115.9Q267 Y277Q267-G275 PolarHBondContact N-O 2.9Å; Q267-G275 VanDerWaalsContact N-O 3.09Å; G275-Y277 VanDerWaalsContact O-CD2 3.27Å; G275-Y277 WeakPolarHBondContact O-CD2 3.3Å; G275-Y277 WeakPolarHBondContact O-CE2 3.33Å
276I88.9Confident75Confident1 Ų173.3 Ų73.31%0.00541%0.409CS..EExtended strand (participates in β ladder)trans-93.8122.2177.7-55.7-59000109.6I264 M298 L299 F307 A315I264-I276 HydrophobicContact CB-CG2 3.8Å; I264-I276 HydrophobicContact CD1-CG2 3.67Å; I264-I276 HydrophobicContact CG1-CG2 4.36Å; I264-I276 HydrophobicContact CG2-CG2 4.03Å; I276-M298 WeakPolarHBondContact O-CG 3.26Å; I276-L299 HydrophobicContact CG2-CB 4.33Å; I276-L299 HydrophobicContact CG2-CD2 4.33Å; I276-L299 PolarHBondContact O-N 2.94Å; I276-F307 HydrophobicContact CG1-CB 4.48Å; I276-F307 HydrophobicContact CG1-CD1 4.43Å; I276-A315 HydrophobicContact CD1-CB 3.85Å; I276-A315 HydrophobicContact CG1-CB 3.94Å
277Y89.1Confident75.3Confident58 Ų5872.2 Ų72.223%0.22740%0.398CS..EExtended strand (participates in β ladder)trans-113154.8-179.1-63.5-96.1000111.5I264 V265 Q267 G275 G279 M298I264-Y277 CarbonylContact C-O 3.53Å; I264-Y277 VanDerWaalsContact CA-O 3.24Å; I264-Y277 WeakPolarHBondContact CA-O 3.34Å; V265-Y277 PolarHBondContact N-O 2.84Å; V265-Y277 PolarHBondContact O-N 2.88Å; Q267-Y277 HydrophobicContact CB-CD2 4.22Å; Q267-Y277 HydrophobicContact CB-CE2 3.95Å; Q267-Y277 VanDerWaalsContact CD-CE2 3.48Å; Q267-Y277 HydrophobicContact CG-CD2 3.71Å; Q267-Y277 HydrophobicContact CG-CE2 3.78Å; G275-Y277 VanDerWaalsContact O-CD2 3.27Å; G275-Y277 WeakPolarHBondContact O-CD2 3.3Å; G275-Y277 WeakPolarHBondContact O-CE2 3.33Å; Y277-G279 PolarHBondContact O-N 2.82Å; Y277-M298 HydrophobicContact CD1-CB 3.89Å; Y277-M298 HydrophobicContact CD1-CG 4.16Å; Y277-M298 HydrophobicContact CE1-CB 3.84Å; Y277-M298 HydrophobicContact CE1-CG 3.95Å; Y277-M298 HydrophobicContact CE1-SD 3.88Å; Y277-M298 HydrophobicContact CE2-SD 4.34Å
278I90.1Very high76Confident1 Ų169.6 Ų69.61%0.00539%0.393CS..EExtended strand (participates in β ladder)trans-87105.5176.8-62.7179.4000109.1I262 S263 I281 I293 P295 G296 D297 V333I262-I278 HydrophobicContact CB-CG2 4.39Å; I262-I278 HydrophobicContact CD1-CD1 4.5Å; I262-I278 HydrophobicContact CG2-CG2 4.37Å; S263-I278 CarbonylContact O-C 3.51Å; I278-I281 HydrophobicContact CG2-CD1 4.32Å; I278-I281 HydrophobicContact CG2-CG1 3.9Å; I278-I293 HydrophobicContact CD1-CG2 3.36Å; I278-P295 CarbonylContact O-C 3.52Å; I278-P295 WeakPolarHBondContact O-CA 3.23Å; I278-G296 PolarHBondContact O-N 3.1Å; I278-D297 HydrophobicContact CD1-CB 4.45Å; I278-D297 PolarHBondContact N-O 2.82Å; I278-V333 HydrophobicContact CD1-CG1 4.06Å
279G84.5Confident77.3Confident38 Ų3866.5 Ų66.539%0.39238%0.375SS..EExtended strand (participates in β ladder)trans-76.8-36.5-176.400000113.9S263 Y277S263-G279 PolarHBondContact O-N 2.92Å; Y277-G279 PolarHBondContact O-N 2.82Å
280S85.1Confident78.5Confident55 Ų5564.3 Ų64.339%0.38536%0.363SS..EExtended strand (participates in β ladder)trans-159.6164.5173.968.30000112.4I262 S263I262-S280 WeakPolarHBondContact CA-O 3.33Å; S263-S280 WeakPolarHBondContact CB-OG 3.42Å; S263-S280 PolarHBondContact N-O 3.45Å; S263-S280 PolarHBondContact O-N 2.9Å
281I88.6Confident80.2Confident41 Ų4156.9 Ų56.921%0.2134%0.342CS..EExtended strand (participates in β ladder)trans-128.4125.3-179.3-55-179.5000109.2G261 I262 I278 V287 A288 I293 P295G261-I281 CarbonylContact O-C 3.57Å; G261-I281 WeakPolarHBondContact O-CA 3.49Å; I262-I281 HydrophobicContact CG2-CG1 4.25Å; I278-I281 HydrophobicContact CG2-CD1 4.32Å; I278-I281 HydrophobicContact CG2-CG1 3.9Å; I281-V287 HydrophobicContact CD1-CG1 4.12Å; I281-V287 HydrophobicContact CG2-CB 4.48Å; I281-V287 HydrophobicContact CG2-CG1 4.2Å; I281-A288 HydrophobicContact CG2-CB 3.85Å; I281-I293 HydrophobicContact CD1-CG2 4.09Å; I281-I293 WeakPolarHBondContact CD1-O 3.24Å; I281-P295 HydrophobicContact CD1-CG 4.35Å; I281-P295 HydrophobicContact CG1-CG 4.15Å
282M85.9Confident81.8Confident88 Ų8851 Ų5143%0.43332%0.32SS..  trans-87.9128.6-176.8-69.2175.967.200111.6F259 G261 G284 G285 A288F259-M282 HydrophobicContact CE2-CB 4.13Å; F259-M282 HydrophobicContact CE2-CE 4.45Å; G261-M282 PolarHBondContact O-N 2.99Å; M282-G284 PolarHBondContact O-N 3.16Å; M282-G285 PolarHBondContact O-N 3.33Å; M282-A288 VanDerWaalsContact O-CB 3.27Å; M282-A288 WeakPolarHBondContact O-CB 3.44Å
283K81.3Confident83.7Confident209 Ų20948.1 Ų48.191%0.90929%0.288SS*.THydrogen-bonded Turntrans-63.4120.2178.6-64.7-179-179.1178.80110.5
284G80.8Confident85.2Confident50 Ų5047.3 Ų47.352%0.51528%0.281SS..THydrogen-bonded Turntrans111-16.3178.900000114.7M282M282-G284 PolarHBondContact O-N 3.16Å
285G86.1Confident86.3Confident0 Ų050.6 Ų50.60%030%0.299CS..SBendtrans-76.9165.5173.300000112.9F259 M282 V287 A288 A289F259-G285 WeakPolarHBondContact O-CA 3.34Å; M282-G285 PolarHBondContact O-N 3.33Å; G285-V287 VanDerWaalsContact C-N 3.32Å; G285-V287 PolarHBondContact O-N 2.98Å; G285-A288 WeakPolarHBondContact O-CB 3.19Å; G285-A288 PolarHBondContact O-N 3.33Å; G285-A288 VanDerWaalsContact O-N 3.13Å; G285-A289 PolarHBondContact O-N 2.96Å
286A87.8Confident86.3Confident2 Ų251.3 Ų51.32%0.01731%0.307CS..Hα-helixtrans-55.9-42.4-175.600000113.3L252 M254 Y257 F259 L260 A288 A289 D290L252-A286 HydrophobicContact CB-CB 4.17Å; M254-A286 HydrophobicContact CE-CB 3.46Å; M254-A286 VanDerWaalsContact CE-CB 3.46Å; M254-A286 HydrophobicContact SD-CB 4.38Å; Y257-A286 HydrophobicContact CD2-CB 4.15Å; Y257-A286 HydrophobicContact CG-CB 4.09Å; F259-A286 PolarHBondContact O-N 3.46Å; L260-A286 PolarHBondContact O-N 3.38Å; A286-A288 PolarHBondContact O-N 3.44Å; A286-A289 PolarHBondContact O-N 3.39Å; A286-D290 PolarHBondContact O-N 3.27Å; A286-D290 VanDerWaalsContact O-N 3.1Å
287V88.4Confident86.3Confident1 Ų151.6 Ų51.61%0.00631%0.309CS..Hα-helixtrans-65.1-40.6179.3176.80000111.6L252 L260 I262 I281 G285 A289 D290 G291 I293 L331L252-V287 HydrophobicContact CD1-CG2 3.49Å; L252-V287 VanDerWaalsContact CD1-CG2 3.49Å; L260-V287 HydrophobicContact CD1-CG2 3.86Å; L260-V287 HydrophobicContact CG-CG2 3.98Å; L260-V287 WeakPolarHBondContact O-CG2 3.16Å; L260-V287 PolarHBondContact O-N 2.94Å; I262-V287 HydrophobicContact CG2-CB 3.67Å; I262-V287 HydrophobicContact CG2-CG1 3.68Å; I262-V287 HydrophobicContact CG2-CG2 3.62Å; I281-V287 HydrophobicContact CD1-CG1 4.12Å; I281-V287 HydrophobicContact CG2-CB 4.48Å; I281-V287 HydrophobicContact CG2-CG1 4.2Å; G285-V287 VanDerWaalsContact C-N 3.32Å; G285-V287 PolarHBondContact O-N 2.98Å; V287-A289 PolarHBondContact O-N 3.23Å; V287-D290 PolarHBondContact O-N 3.47Å; V287-G291 PolarHBondContact O-N 3.29Å; V287-I293 HydrophobicContact CG1-CB 3.69Å; V287-I293 HydrophobicContact CG1-CD1 4.21Å; V287-I293 HydrophobicContact CG1-CG1 4.39Å; V287-I293 HydrophobicContact CG1-CG2 3.92Å; V287-L331 HydrophobicContact CG2-CD1 3.73Å
288A86.9Confident86.2Confident43 Ų4350.5 Ų50.536%0.35531%0.306SS..Hα-helixtrans-66.6-22.417700000113.2I281 M282 G285 A286I281-A288 HydrophobicContact CG2-CB 3.85Å; M282-A288 VanDerWaalsContact O-CB 3.27Å; M282-A288 WeakPolarHBondContact O-CB 3.44Å; G285-A288 WeakPolarHBondContact O-CB 3.19Å; G285-A288 PolarHBondContact O-N 3.33Å; G285-A288 VanDerWaalsContact O-N 3.13Å; A286-A288 PolarHBondContact O-N 3.44Å
289A86.2Confident86.3Confident51 Ų5150.5 Ų50.542%0.42131%0.306SS..Hα-helixtrans-88.7-27.317800000113.7Y257 G285 A286 V287Y257-A289 HydrophobicContact CD1-CB 4.26Å; Y257-A289 HydrophobicContact CE1-CB 3.49Å; Y257-A289 VanDerWaalsContact CE1-CB 3.49Å; Y257-A289 HydrophobicContact CE2-CB 3.88Å; Y257-A289 VanDerWaalsContact OH-CB 3.32Å; Y257-A289 WeakPolarHBondContact OH-CB 3.43Å; G285-A289 PolarHBondContact O-N 2.96Å; A286-A289 PolarHBondContact O-N 3.39Å; V287-A289 PolarHBondContact O-N 3.23Å
290D85.8Confident86.5Confident50 Ų5049.4 Ų49.427%0.26729%0.291SS..Hα-helixtrans-75.1-40.8168.3-178.389.1000111.4L252 A286 V287 R292L252-D290 HydrophobicContact CD2-CB 3.54Å; A286-D290 PolarHBondContact O-N 3.27Å; A286-D290 VanDerWaalsContact O-N 3.1Å; V287-D290 PolarHBondContact O-N 3.47Å; D290-R292 PolarHBondContact O-N 3.43Å; D290-R292 VanDerWaalsContact O-N 3.13Å; D290-R292 IonicContact OD1-CZ 3.96Å; D290-R292 IonicContact OD1-NE 3.5Å; D290-R292 PolarHBondContact OD1-NE 2.84Å; D290-R292 IonicContact OD1-NH2 3.59Å; D290-R292 PolarHBondContact OD1-NH2 2.88Å; D290-R292 VanDerWaalsContact OD2-CB 3.32Å; D290-R292 WeakPolarHBondContact OD2-CB 3.37Å; D290-R292 WeakPolarHBondContact OD2-CG 3.5Å; D290-R292 IonicContact OD2-CZ 2.75Å; D290-R292 PolarHBondContact OD2-N 2.67Å; D290-R292 IonicContact OD2-NE 3.36Å; D290-R292 PolarHBondContact OD2-NE 3.04Å; D290-R292 IonicContact OD2-NH2 3.84Å
291G84.1Confident86.7Confident52 Ų5250 Ų5054%0.53629%0.288SS..  trans70.53.9168.100000116V287V287-G291 PolarHBondContact O-N 3.29Å
292R85.5Confident86.8Confident120 Ų12048 Ų4845%0.45328%0.278SS..  trans-82.5-24.3174.9-63.1179.1-79171.7-11.6113.2I248 V250 D290 K335I248-R292 HydrophobicContact CD1-CB 3.9Å; I248-R292 WeakPolarHBondContact CD1-O 3.27Å; V250-R292 HydrophobicContact CG1-CB 4.2Å; V250-R292 VanDerWaalsContact CG1-CZ 3.47Å; D290-R292 PolarHBondContact O-N 3.43Å; D290-R292 VanDerWaalsContact O-N 3.13Å; D290-R292 IonicContact OD1-CZ 3.96Å; D290-R292 IonicContact OD1-NE 3.5Å; D290-R292 PolarHBondContact OD1-NE 2.84Å; D290-R292 IonicContact OD1-NH2 3.59Å; D290-R292 PolarHBondContact OD1-NH2 2.88Å; D290-R292 VanDerWaalsContact OD2-CB 3.32Å; D290-R292 WeakPolarHBondContact OD2-CB 3.37Å; D290-R292 WeakPolarHBondContact OD2-CG 3.5Å; D290-R292 IonicContact OD2-CZ 2.75Å; D290-R292 PolarHBondContact OD2-N 2.67Å; D290-R292 IonicContact OD2-NE 3.36Å; D290-R292 PolarHBondContact OD2-NE 3.04Å; D290-R292 IonicContact OD2-NH2 3.84Å; R292-K335 WeakPolarHBondContact O-CE 3.34Å; R292-K335 PolarHBondContact O-NZ 3.15Å
293I89.1Confident86.9Confident6 Ų647.3 Ų47.33%0.03128%0.276CS..  trans-92141.2178-61.3-175.1000109.7I248 V250 I278 I281 V287 L331 V333I248-I293 HydrophobicContact CD1-CG1 4.25Å; V250-I293 HydrophobicContact CG1-CD1 4.41Å; V250-I293 HydrophobicContact CG1-CG1 4.25Å; V250-I293 HydrophobicContact CG2-CD1 3.56Å; V250-I293 HydrophobicContact CG2-CG1 4.22Å; I278-I293 HydrophobicContact CD1-CG2 3.36Å; I281-I293 HydrophobicContact CD1-CG2 4.09Å; I281-I293 WeakPolarHBondContact CD1-O 3.24Å; V287-I293 HydrophobicContact CG1-CB 3.69Å; V287-I293 HydrophobicContact CG1-CD1 4.21Å; V287-I293 HydrophobicContact CG1-CG1 4.39Å; V287-I293 HydrophobicContact CG1-CG2 3.92Å; I293-L331 HydrophobicContact CD1-CB 4.14Å; I293-L331 HydrophobicContact CD1-CD1 3.73Å; I293-V333 HydrophobicContact CD1-CG1 3.95Å; I293-V333 HydrophobicContact CD1-CG2 4.08Å; I293-V333 HydrophobicContact CG1-CG2 3.89Å
294E87.9Confident86.9Confident105 Ų10543.3 Ų43.349%0.49126%0.264SS..  trans-131.4156.3-177-68.6168.4118.200111.5G296 D297 K335E294-G296 PolarHBondContact O-N 2.83Å; E294-D297 PolarHBondContact N-OD2 2.87Å; E294-D297 WeakPolarHBondContact O-CB 3.49Å; E294-D297 VanDerWaalsContact O-CG 3.31Å; E294-D297 PolarHBondContact O-N 2.84Å; E294-K335 IonicContact OE2-NZ 3.88Å; E294-K335 PolarHBondContact OE2-NZ 2.86Å
295P87.4Confident87.2Confident81 Ų8144.4 Ų44.453%0.52626%0.257SS..THydrogen-bonded Turntrans-61.6130.6172.4-17.630.8000110.8I278 I281I278-P295 CarbonylContact O-C 3.52Å; I278-P295 WeakPolarHBondContact O-CA 3.23Å; I281-P295 HydrophobicContact CD1-CG 4.35Å; I281-P295 HydrophobicContact CG1-CG 4.15Å
296G82.4Confident87.2Confident26 Ų2648.1 Ų48.127%0.26828%0.277SS..THydrogen-bonded Turntrans109.5-23-172.500000113.9I278 E294 C336I278-G296 PolarHBondContact O-N 3.1Å; E294-G296 PolarHBondContact O-N 2.83Å; G296-C336 WeakPolarHBondContact O-CB 3.36Å
297D89.1Confident87.1Confident6 Ų648 Ų483%0.03228%0.277CS..  trans-61.8142.7177-68.1-21.5000111.8I278 E294 V333 K335I278-D297 HydrophobicContact CD1-CB 4.45Å; I278-D297 PolarHBondContact N-O 2.82Å; E294-D297 PolarHBondContact N-OD2 2.87Å; E294-D297 WeakPolarHBondContact O-CB 3.49Å; E294-D297 VanDerWaalsContact O-CG 3.31Å; E294-D297 PolarHBondContact O-N 2.84Å; D297-V333 HydrophobicContact CB-CB 4.34Å; D297-V333 HydrophobicContact CB-CG2 4.25Å; D297-K335 WeakPolarHBondContact OD1-CD 3.48Å; D297-K335 IonicContact OD1-NZ 2.72Å; D297-K335 PolarHBondContact OD1-NZ 3.09Å; D297-K335 WeakPolarHBondContact OD2-CD 3.22Å; D297-K335 WeakPolarHBondContact OD2-CE 3.35Å; D297-K335 IonicContact OD2-NZ 2.62Å; D297-K335 PolarHBondContact OD2-NZ 2.78Å
298M88.4Confident86.7Confident36 Ų3652 Ų5218%0.17730%0.295CS..EExtended strand (participates in β ladder)trans-93.3128178.4-171.6169.376.100110.8I276 Y277 L300 V333 A334 C336I276-M298 WeakPolarHBondContact O-CG 3.26Å; Y277-M298 HydrophobicContact CD1-CB 3.89Å; Y277-M298 HydrophobicContact CD1-CG 4.16Å; Y277-M298 HydrophobicContact CE1-CB 3.84Å; Y277-M298 HydrophobicContact CE1-CG 3.95Å; Y277-M298 HydrophobicContact CE1-SD 3.88Å; Y277-M298 HydrophobicContact CE2-SD 4.34Å; M298-L300 HydrophobicContact CE-CD2 3.6Å; M298-L300 HydrophobicContact CG-CD2 4.38Å; M298-V333 CarbonylContact O-C 3.56Å; M298-V333 WeakPolarHBondContact O-CA 3.27Å; M298-V333 WeakPolarHBondContact O-CB 3.44Å; M298-A334 HydrophobicContact CB-CB 4.49Å; M298-A334 PolarHBondContact N-O 3.39Å; M298-A334 PolarHBondContact O-N 3.34Å; M298-C336 VanDerWaalsContact CB-SG 3.59Å
299L90.8Very high85.9Confident1 Ų156.6 Ų56.61%0.00531%0.314CS..EExtended strand (participates in β ladder)trans-85.2114.4-179.2-18060.6000110.7I264 I276 V302 F307 L319 L331 V333I264-L299 HydrophobicContact CG2-CD2 4.39Å; I276-L299 HydrophobicContact CG2-CB 4.33Å; I276-L299 HydrophobicContact CG2-CD2 4.33Å; I276-L299 PolarHBondContact O-N 2.94Å; L299-V302 HydrophobicContact CD1-CG2 3.85Å; L299-V302 HydrophobicContact CD2-CG2 3.8Å; L299-V302 HydrophobicContact CG-CG2 4.11Å; L299-F307 HydrophobicContact CD2-CD1 3.84Å; L299-F307 HydrophobicContact CD2-CE1 4.17Å; L299-F307 HydrophobicContact CD2-CG 4.29Å; L299-F307 HydrophobicContact CG-CB 4.4Å; L299-F307 HydrophobicContact CG-CD1 4.34Å; L299-F307 HydrophobicContact CG-CG 4.33Å; L299-L319 HydrophobicContact CD2-CD1 4.15Å; L299-L331 HydrophobicContact CD1-CD2 4.1Å; L299-V333 HydrophobicContact CD1-CG1 3.8Å
300L89.4Confident85.5Confident15 Ų1555.7 Ų55.78%0.07930%0.301CS..EExtended strand (participates in β ladder)trans-93.5-45.2-179.2-52.7-175.8000111.9I247 M298 N306 F307 E308 T332 A334I247-L300 HydrophobicContact CD1-CD1 3.85Å; I247-L300 HydrophobicContact CG1-CD1 3.91Å; I247-L300 HydrophobicContact CG2-CD1 4.27Å; M298-L300 HydrophobicContact CE-CD2 3.6Å; M298-L300 HydrophobicContact CG-CD2 4.38Å; L300-N306 PolarHBondContact O-OD1 2.95Å; L300-F307 PolarHBondContact O-N 2.99Å; L300-E308 HydrophobicContact CD2-CG 4.13Å; L300-T332 HydrophobicContact CB-CG2 4.45Å; L300-T332 HydrophobicContact CD1-CG2 4.42Å; L300-T332 PolarHBondContact N-O 2.76Å; L300-A334 HydrophobicContact CD1-CB 4.21Å; L300-A334 HydrophobicContact CD2-CB 4.38Å; L300-A334 HydrophobicContact CG-CB 4.39Å
301Q89.9Confident85.3Confident66 Ų6655.8 Ų55.831%0.30831%0.306SS..EExtended strand (participates in β ladder)trans-150.9141.8-171.7166-175.8-11.300111.5D304 I305 T332Q301-D304 PolarHBondContact NE2-OD1 3.02Å; Q301-I305 CarbonylContact C-O 3.47Å; Q301-I305 VanDerWaalsContact CA-O 3.23Å; Q301-I305 WeakPolarHBondContact CA-O 3.34Å; Q301-T332 PolarHBondContact N-O 2.97Å; Q301-T332 PolarHBondContact O-N 2.9Å
302V90.5Very high85.4Confident0 Ų055.9 Ų55.90%029%0.294CS..EExtended strand (participates in β ladder)trans-129.4120.7174.4-172.70000108.4L299 D304 I305 F307 L319 I322 I329 T330 L331L299-V302 HydrophobicContact CD1-CG2 3.85Å; L299-V302 HydrophobicContact CD2-CG2 3.8Å; L299-V302 HydrophobicContact CG-CG2 4.11Å; V302-D304 PolarHBondContact O-N 3.1Å; V302-D304 VanDerWaalsContact O-N 3.14Å; V302-I305 PolarHBondContact N-O 3.14Å; V302-I305 PolarHBondContact O-N 2.98Å; V302-F307 HydrophobicContact CB-CD2 4.19Å; V302-F307 HydrophobicContact CB-CE2 3.51Å; V302-F307 HydrophobicContact CB-CZ 3.91Å; V302-F307 HydrophobicContact CG2-CD1 4.43Å; V302-F307 HydrophobicContact CG2-CD2 3.77Å; V302-F307 HydrophobicContact CG2-CE1 4.05Å; V302-F307 HydrophobicContact CG2-CE2 3.35Å; V302-F307 HydrophobicContact CG2-CG 4.31Å; V302-F307 HydrophobicContact CG2-CZ 3.5Å; V302-F307 VanDerWaalsContact CG2-CZ 3.5Å; V302-L319 HydrophobicContact CG1-CD2 4.2Å; V302-L319 HydrophobicContact CG2-CD2 3.91Å; V302-I322 HydrophobicContact CB-CD1 3.86Å; V302-I322 HydrophobicContact CG1-CB 4.47Å; V302-I322 HydrophobicContact CG1-CD1 3.5Å; V302-I322 VanDerWaalsContact CG1-CD1 3.5Å; V302-I322 HydrophobicContact CG1-CG2 4.04Å; V302-I329 HydrophobicContact CG1-CG2 3.84Å; V302-T330 WeakPolarHBondContact CA-O 3.39Å; V302-L331 HydrophobicContact CB-CD2 4.2Å; V302-L331 HydrophobicContact CG1-CD2 3.78Å; V302-L331 HydrophobicContact CG2-CD2 3.7Å
303N87.1Confident85.4Confident73 Ų7355.2 Ų55.239%0.3930%0.3SS..THydrogen-bonded Turntrans44.349.4176.2-147.917.9000113.1I305 I322 T330N303-I305 VanDerWaalsContact C-N 3.28Å; N303-I305 PolarHBondContact O-N 3.24Å; N303-I322 HydrophobicContact CB-CD1 4.15Å; N303-I322 HydrophobicContact CB-CG2 3.92Å; N303-T330 WeakPolarHBondContact CA-OG1 3.42Å; N303-T330 PolarHBondContact N-O 3.42Å; N303-T330 PolarHBondContact N-OG1 3.02Å
304D82.4Confident85.4Confident126 Ų12657.6 Ų57.667%0.67431%0.312SS*.THydrogen-bonded Turntrans64.514.1-179.1-54.8-26.5000117.7Q301 V302Q301-D304 PolarHBondContact NE2-OD1 3.02Å; V302-D304 PolarHBondContact O-N 3.1Å; V302-D304 VanDerWaalsContact O-N 3.14Å
305I86.4Confident85.4Confident72 Ų7252.6 Ų52.637%0.36929%0.289SS..EExtended strand (participates in β ladder)trans-97.2130.5164.6-55.2-176.7000109.5Q301 V302 N303 F307 M310 V318 I322Q301-I305 CarbonylContact C-O 3.47Å; Q301-I305 VanDerWaalsContact CA-O 3.23Å; Q301-I305 WeakPolarHBondContact CA-O 3.34Å; V302-I305 PolarHBondContact N-O 3.14Å; V302-I305 PolarHBondContact O-N 2.98Å; N303-I305 VanDerWaalsContact C-N 3.28Å; N303-I305 PolarHBondContact O-N 3.24Å; I305-F307 HydrophobicContact CB-CE2 4.3Å; I305-F307 HydrophobicContact CG2-CE2 4.22Å; I305-F307 WeakPolarHBondContact O-CD2 3.13Å; I305-M310 HydrophobicContact CG2-CE 4.35Å; I305-V318 HydrophobicContact CB-CG1 4.44Å; I305-V318 HydrophobicContact CD1-CG1 3.79Å; I305-V318 HydrophobicContact CG2-CG1 4.15Å; I305-I322 HydrophobicContact CD1-CD1 4.26Å
306N85.3Confident85.4Confident78 Ų7850.3 Ų50.342%0.41727%0.274SS..EExtended strand (participates in β ladder)trans-80.2138176-172.8-4.1000111.3L300 E308L300-N306 PolarHBondContact O-OD1 2.95Å; N306-E308 PolarHBondContact ND2-OE2 2.93Å; N306-E308 WeakPolarHBondContact OD1-CB 3.19Å; N306-E308 WeakPolarHBondContact OD1-CG 3.31Å; N306-E308 PolarHBondContact OD1-N 3.42Å; N306-E308 PolarHBondContact OD1-OE2 3.46Å
307F86.7Confident85.7Confident0 Ų056.2 Ų56.20%029%0.288CS..  trans-109.7-12.6-178.3-82.3-116000113.8I276 L299 L300 V302 I305 N309 M310 A315 V318 L319I276-F307 HydrophobicContact CG1-CB 4.48Å; I276-F307 HydrophobicContact CG1-CD1 4.43Å; L299-F307 HydrophobicContact CD2-CD1 3.84Å; L299-F307 HydrophobicContact CD2-CE1 4.17Å; L299-F307 HydrophobicContact CD2-CG 4.29Å; L299-F307 HydrophobicContact CG-CB 4.4Å; L299-F307 HydrophobicContact CG-CD1 4.34Å; L299-F307 HydrophobicContact CG-CG 4.33Å; L300-F307 PolarHBondContact O-N 2.99Å; V302-F307 HydrophobicContact CB-CD2 4.19Å; V302-F307 HydrophobicContact CB-CE2 3.51Å; V302-F307 HydrophobicContact CB-CZ 3.91Å; V302-F307 HydrophobicContact CG2-CD1 4.43Å; V302-F307 HydrophobicContact CG2-CD2 3.77Å; V302-F307 HydrophobicContact CG2-CE1 4.05Å; V302-F307 HydrophobicContact CG2-CE2 3.35Å; V302-F307 HydrophobicContact CG2-CG 4.31Å; V302-F307 HydrophobicContact CG2-CZ 3.5Å; V302-F307 VanDerWaalsContact CG2-CZ 3.5Å; I305-F307 HydrophobicContact CB-CE2 4.3Å; I305-F307 HydrophobicContact CG2-CE2 4.22Å; I305-F307 WeakPolarHBondContact O-CD2 3.13Å; F307-N309 VanDerWaalsContact C-N 3.27Å; F307-N309 PolarHBondContact O-N 3.17Å; F307-M310 HydrophobicContact CB-CE 4.34Å; F307-M310 HydrophobicContact CD1-CE 3.58Å; F307-M310 HydrophobicContact CD2-CE 3.56Å; F307-M310 HydrophobicContact CE1-CE 3.58Å; F307-M310 HydrophobicContact CE2-CE 3.53Å; F307-M310 HydrophobicContact CG-CE 3.57Å; F307-M310 HydrophobicContact CZ-CE 3.54Å; F307-M310 PolarHBondContact O-N 2.85Å; F307-A315 HydrophobicContact CD1-CB 3.73Å; F307-A315 HydrophobicContact CE1-CB 3.74Å; F307-V318 HydrophobicContact CE2-CG1 3.95Å; F307-V318 HydrophobicContact CZ-CB 4.01Å; F307-V318 HydrophobicContact CZ-CG1 3.66Å; F307-L319 HydrophobicContact CE1-CD1 3.91Å; F307-L319 HydrophobicContact CE1-CG 3.75Å; F307-L319 HydrophobicContact CZ-CG 3.96Å
308E79.2Confident85.7Confident84 Ų8457 Ų5739%0.39329%0.292SS..THydrogen-bonded Turntrans-55.8-37.9-176.8-66.8167.7151.500113.5L300 N306L300-E308 HydrophobicContact CD2-CG 4.13Å; N306-E308 PolarHBondContact ND2-OE2 2.93Å; N306-E308 WeakPolarHBondContact OD1-CB 3.19Å; N306-E308 WeakPolarHBondContact OD1-CG 3.31Å; N306-E308 PolarHBondContact OD1-N 3.42Å; N306-E308 PolarHBondContact OD1-OE2 3.46Å
309N70.8Confident85.7Confident140 Ų14056 Ų5675%0.74929%0.288SS*.THydrogen-bonded Turntrans-109.615.7-174.7-65.4-89.7000112.8F307F307-N309 VanDerWaalsContact C-N 3.27Å; F307-N309 PolarHBondContact O-N 3.17Å
310M76.7Confident85.4Confident32 Ų3261 Ų6116%0.15831%0.307CS..  trans-102.9138.5-172.3-173.7155.245.700111.6I305 F307 D314 A315 V318I305-M310 HydrophobicContact CG2-CE 4.35Å; F307-M310 HydrophobicContact CB-CE 4.34Å; F307-M310 HydrophobicContact CD1-CE 3.58Å; F307-M310 HydrophobicContact CD2-CE 3.56Å; F307-M310 HydrophobicContact CE1-CE 3.58Å; F307-M310 HydrophobicContact CE2-CE 3.53Å; F307-M310 HydrophobicContact CG-CE 3.57Å; F307-M310 HydrophobicContact CZ-CE 3.54Å; F307-M310 PolarHBondContact O-N 2.85Å; M310-D314 HydrophobicContact CG-CB 3.49Å; M310-D314 VanDerWaalsContact CG-CB 3.49Å; M310-D314 HydrophobicContact SD-CB 3.86Å; M310-A315 HydrophobicContact CE-CB 4.24Å; M310-A315 HydrophobicContact CG-CB 4.22Å; M310-V318 HydrophobicContact CE-CB 4.18Å; M310-V318 HydrophobicContact CE-CG1 4.38Å; M310-V318 HydrophobicContact CE-CG2 4.21Å; M310-V318 HydrophobicContact SD-CB 4.37Å; M310-V318 HydrophobicContact SD-CG2 3.81Å
311S82.8Confident85.4Confident53 Ų5364 Ų6437%0.37132%0.323SS..  trans-63.6158.7177.285.20000111.4D313 D314 A315S311-D313 VanDerWaalsContact C-N 3.35Å; S311-D313 PolarHBondContact O-N 2.8Å; S311-D314 WeakPolarHBondContact CB-OD2 3.4Å; S311-D314 PolarHBondContact O-N 3.19Å; S311-D314 WeakPolarHBondContact OG-CB 3.39Å; S311-D314 PolarHBondContact OG-N 3.01Å; S311-D314 VanDerWaalsContact OG-N 3.13Å; S311-D314 PolarHBondContact OG-OD2 3.09Å; S311-A315 VanDerWaalsContact O-CB 3.25Å; S311-A315 WeakPolarHBondContact O-CB 3.44Å; S311-A315 PolarHBondContact O-N 2.89Å
312N86.2Confident85.2Confident53 Ų5361.1 Ų61.128%0.28331%0.31SS..Hα-helixtrans-61.5-42.1-179.8-174.9-116.6000112.4G266 A315 V316G266-N312 PolarHBondContact N-ND2 2.81Å; G266-N312 VanDerWaalsContact N-ND2 3.12Å; N312-A315 PolarHBondContact O-N 2.91Å; N312-V316 WeakPolarHBondContact O-CB 3.29Å; N312-V316 VanDerWaalsContact O-CG2 3.31Å; N312-V316 WeakPolarHBondContact O-CG2 3.3Å; N312-V316 PolarHBondContact O-N 2.86Å
313D86Confident84.8Confident107 Ų10762.2 Ų62.257%0.57232%0.316SS*.Hα-helixtrans-64.9-42.3176.7-67.4-68.5000112.5S311 V316 R317S311-D313 VanDerWaalsContact C-N 3.35Å; S311-D313 PolarHBondContact O-N 2.8Å; D313-V316 PolarHBondContact O-N 2.93Å; D313-R317 WeakPolarHBondContact O-CB 3.33Å; D313-R317 PolarHBondContact O-N 2.79Å
314D87.9Confident84.5Confident56 Ų5664.6 Ų64.630%0.29933%0.325SS..Hα-helixtrans-66.5-41.7176.5-65.4-51.8000111.1M310 S311 R317 V318M310-D314 HydrophobicContact CG-CB 3.49Å; M310-D314 VanDerWaalsContact CG-CB 3.49Å; M310-D314 HydrophobicContact SD-CB 3.86Å; S311-D314 WeakPolarHBondContact CB-OD2 3.4Å; S311-D314 PolarHBondContact O-N 3.19Å; S311-D314 WeakPolarHBondContact OG-CB 3.39Å; S311-D314 PolarHBondContact OG-N 3.01Å; S311-D314 VanDerWaalsContact OG-N 3.13Å; S311-D314 PolarHBondContact OG-OD2 3.09Å; D314-R317 WeakPolarHBondContact O-CB 3.5Å; D314-R317 PolarHBondContact O-N 3.37Å; D314-R317 VanDerWaalsContact O-N 3.17Å; D314-R317 IonicContact OD1-CZ 3.11Å; D314-R317 IonicContact OD1-NH1 2.71Å; D314-R317 PolarHBondContact OD1-NH1 3.23Å; D314-R317 IonicContact OD1-NH2 2.68Å; D314-R317 PolarHBondContact OD1-NH2 2.94Å; D314-V318 WeakPolarHBondContact O-CG2 3.36Å; D314-V318 PolarHBondContact O-N 2.79Å
315A87.7Confident84.4Confident0 Ų063.7 Ų63.70%032%0.315CS..Hα-helixtrans-63.1-42.8176.400000112I264 I276 F307 M310 S311 N312 R317 V318 L319I264-A315 HydrophobicContact CD1-CB 3.99Å; I276-A315 HydrophobicContact CD1-CB 3.85Å; I276-A315 HydrophobicContact CG1-CB 3.94Å; F307-A315 HydrophobicContact CD1-CB 3.73Å; F307-A315 HydrophobicContact CE1-CB 3.74Å; M310-A315 HydrophobicContact CE-CB 4.24Å; M310-A315 HydrophobicContact CG-CB 4.22Å; S311-A315 VanDerWaalsContact O-CB 3.25Å; S311-A315 WeakPolarHBondContact O-CB 3.44Å; S311-A315 PolarHBondContact O-N 2.89Å; N312-A315 PolarHBondContact O-N 2.91Å; A315-R317 VanDerWaalsContact C-N 3.33Å; A315-R317 PolarHBondContact O-N 3.19Å; A315-V318 PolarHBondContact O-N 3.45Å; A315-L319 WeakPolarHBondContact O-CB 3.41Å; A315-L319 PolarHBondContact O-N 2.86Å
316V87.5Confident83.7Confident33 Ų3366.9 Ų66.920%0.234%0.34CS..Hα-helixtrans-62.8-39.1172.7167.60000111.1I264 N312 D313 R320I264-V316 HydrophobicContact CD1-CG2 3.81Å; I264-V316 HydrophobicContact CG1-CG2 4.1Å; N312-V316 WeakPolarHBondContact O-CB 3.29Å; N312-V316 VanDerWaalsContact O-CG2 3.31Å; N312-V316 WeakPolarHBondContact O-CG2 3.3Å; N312-V316 PolarHBondContact O-N 2.86Å; D313-V316 PolarHBondContact O-N 2.93Å; V316-R320 PolarHBondContact O-N 3.03Å; V316-R320 VanDerWaalsContact O-N 3.14Å
317R88.2Confident83.6Confident149 Ų14964 Ų6456%0.56233%0.329SS*.Hα-helixtrans-66.6-46.6177.4-172174.769.4-111.9-3.3111.9D313 D314 A315 R320 D321D313-R317 WeakPolarHBondContact O-CB 3.33Å; D313-R317 PolarHBondContact O-N 2.79Å; D314-R317 WeakPolarHBondContact O-CB 3.5Å; D314-R317 PolarHBondContact O-N 3.37Å; D314-R317 VanDerWaalsContact O-N 3.17Å; D314-R317 IonicContact OD1-CZ 3.11Å; D314-R317 IonicContact OD1-NH1 2.71Å; D314-R317 PolarHBondContact OD1-NH1 3.23Å; D314-R317 IonicContact OD1-NH2 2.68Å; D314-R317 PolarHBondContact OD1-NH2 2.94Å; A315-R317 VanDerWaalsContact C-N 3.33Å; A315-R317 PolarHBondContact O-N 3.19Å; R317-R320 PolarHBondContact O-N 2.9Å; R317-D321 PolarHBondContact O-N 2.96Å
318V89.1Confident83.5Confident22 Ų2267.9 Ų67.913%0.13335%0.354CS..Hα-helixtrans-66.6-43.6179.3173.60000111.3I305 F307 M310 D314 A315 R320 D321 I322I305-V318 HydrophobicContact CB-CG1 4.44Å; I305-V318 HydrophobicContact CD1-CG1 3.79Å; I305-V318 HydrophobicContact CG2-CG1 4.15Å; F307-V318 HydrophobicContact CE2-CG1 3.95Å; F307-V318 HydrophobicContact CZ-CB 4.01Å; F307-V318 HydrophobicContact CZ-CG1 3.66Å; M310-V318 HydrophobicContact CE-CB 4.18Å; M310-V318 HydrophobicContact CE-CG1 4.38Å; M310-V318 HydrophobicContact CE-CG2 4.21Å; M310-V318 HydrophobicContact SD-CB 4.37Å; M310-V318 HydrophobicContact SD-CG2 3.81Å; D314-V318 WeakPolarHBondContact O-CG2 3.36Å; D314-V318 PolarHBondContact O-N 2.79Å; A315-V318 PolarHBondContact O-N 3.45Å; V318-R320 VanDerWaalsContact C-N 3.29Å; V318-R320 PolarHBondContact O-N 2.94Å; V318-D321 PolarHBondContact O-N 3.35Å; V318-I322 HydrophobicContact CG1-CD1 3.65Å; V318-I322 HydrophobicContact CG1-CG1 4.25Å; V318-I322 VanDerWaalsContact O-CG1 3.3Å; V318-I322 WeakPolarHBondContact O-CG1 3.15Å; V318-I322 PolarHBondContact O-N 3.27Å
319L88.4Confident84.1Confident16 Ų1664 Ų648%0.08434%0.336CS..Hα-helixtrans-57.8-41.2173.5-86.4161.7000112L260 I264 L299 V302 F307 A315 V323L260-L319 HydrophobicContact CD2-CD2 3.84Å; I264-L319 HydrophobicContact CD1-CD1 3.6Å; I264-L319 HydrophobicContact CG1-CD1 4.08Å; I264-L319 HydrophobicContact CG2-CD1 3.98Å; L299-L319 HydrophobicContact CD2-CD1 4.15Å; V302-L319 HydrophobicContact CG1-CD2 4.2Å; V302-L319 HydrophobicContact CG2-CD2 3.91Å; F307-L319 HydrophobicContact CE1-CD1 3.91Å; F307-L319 HydrophobicContact CE1-CG 3.75Å; F307-L319 HydrophobicContact CZ-CG 3.96Å; A315-L319 WeakPolarHBondContact O-CB 3.41Å; A315-L319 PolarHBondContact O-N 2.86Å; L319-V323 VanDerWaalsContact O-CG2 3.26Å; L319-V323 WeakPolarHBondContact O-CG2 3.1Å; L319-V323 PolarHBondContact O-N 3.21Å
320R86.1Confident85Confident107 Ų10758.9 Ų58.940%0.40431%0.31SS..Hα-helixtrans-64.5-47.6176.8-124.7-175.9-66.9-161.2-1.8112V316 R317 V318 I322 V323 H324 V685V316-R320 PolarHBondContact O-N 3.03Å; V316-R320 VanDerWaalsContact O-N 3.14Å; R317-R320 PolarHBondContact O-N 2.9Å; V318-R320 VanDerWaalsContact C-N 3.29Å; V318-R320 PolarHBondContact O-N 2.94Å; R320-I322 VanDerWaalsContact C-N 3.34Å; R320-I322 PolarHBondContact O-N 3.28Å; R320-V323 PolarHBondContact O-N 2.93Å; R320-H324 PolarHBondContact O-N 3.15Å; R320-H324 PolarHBondContact O-ND1 2.9Å; R320-V685 HydrophobicContact CG-CG1 4.07Å; R320-V685 HydrophobicContact CG-CG2 4.04Å
321D88.4Confident85.7Confident76 Ų7657.3 Ų57.341%0.40630%0.302SS..Hα-helixtrans-61.7-37.1178.4171.764000112.9R317 V318 K325R317-D321 PolarHBondContact O-N 2.96Å; V318-D321 PolarHBondContact O-N 3.35Å; D321-K325 WeakPolarHBondContact O-CD 3.36Å; D321-K325 WeakPolarHBondContact O-CE 3.41Å; D321-K325 WeakPolarHBondContact O-CG 3.35Å; D321-K325 WeakPolarHBondContact OD1-CE 3.36Å; D321-K325 IonicContact OD1-NZ 2.96Å; D321-K325 PolarHBondContact OD1-NZ 3.13Å; D321-K325 IonicContact OD2-NZ 2.61Å; D321-K325 PolarHBondContact OD2-NZ 2.99Å
322I86Confident86.1Confident7 Ų755.5 Ų55.54%0.03629%0.289CS..Hα-helixtrans-70.4-41.6174.8-64.8170.4000111.3V302 N303 I305 V318 R320 H324 K325 I329V302-I322 HydrophobicContact CB-CD1 3.86Å; V302-I322 HydrophobicContact CG1-CB 4.47Å; V302-I322 HydrophobicContact CG1-CD1 3.5Å; V302-I322 VanDerWaalsContact CG1-CD1 3.5Å; V302-I322 HydrophobicContact CG1-CG2 4.04Å; N303-I322 HydrophobicContact CB-CD1 4.15Å; N303-I322 HydrophobicContact CB-CG2 3.92Å; I305-I322 HydrophobicContact CD1-CD1 4.26Å; V318-I322 HydrophobicContact CG1-CD1 3.65Å; V318-I322 HydrophobicContact CG1-CG1 4.25Å; V318-I322 VanDerWaalsContact O-CG1 3.3Å; V318-I322 WeakPolarHBondContact O-CG1 3.15Å; V318-I322 PolarHBondContact O-N 3.27Å; R320-I322 VanDerWaalsContact C-N 3.34Å; R320-I322 PolarHBondContact O-N 3.28Å; I322-H324 VanDerWaalsContact C-N 3.35Å; I322-K325 PolarHBondContact O-N 2.62Å; I322-I329 HydrophobicContact CG2-CD1 4Å; I322-I329 HydrophobicContact CG2-CG1 3.97Å; I322-I329 HydrophobicContact CG2-CG2 4.08Å
323V82.1Confident86.3Confident22 Ų2253 Ų5313%0.13328%0.275CS..Hα-helixtrans-71.4-28.4179.3176.90000112.5L260 L319 R320 K325 I329 V685L260-V323 HydrophobicContact CB-CG2 3.95Å; L260-V323 HydrophobicContact CD2-CG2 4.06Å; L319-V323 VanDerWaalsContact O-CG2 3.26Å; L319-V323 WeakPolarHBondContact O-CG2 3.1Å; L319-V323 PolarHBondContact O-N 3.21Å; R320-V323 PolarHBondContact O-N 2.93Å; V323-K325 PolarHBondContact O-N 3.35Å; V323-I329 HydrophobicContact CB-CD1 4.34Å; V323-I329 HydrophobicContact CG2-CD1 3.68Å; V323-V685 HydrophobicContact CB-CG1 3.88Å; V323-V685 HydrophobicContact CG1-CB 4.4Å; V323-V685 HydrophobicContact CG1-CG1 3.51Å
324H80.2Confident86.4Confident124 Ų12447.9 Ų47.957%0.57425%0.248SC*.THydrogen-bonded Turntrans-71.7-11.5172.7-77.750.9000113.6R320 I322R320-H324 PolarHBondContact O-N 3.15Å; R320-H324 PolarHBondContact O-ND1 2.9Å; I322-H324 VanDerWaalsContact C-N 3.35Å
325K79.9Confident86.3Confident106 Ų10647 Ų4746%0.46124%0.242SC..SBendtrans-92.4123.9178.8-73.2163.4-172.2169.40110D321 I322 V323 G327D321-K325 WeakPolarHBondContact O-CD 3.36Å; D321-K325 WeakPolarHBondContact O-CE 3.41Å; D321-K325 WeakPolarHBondContact O-CG 3.35Å; D321-K325 WeakPolarHBondContact OD1-CE 3.36Å; D321-K325 IonicContact OD1-NZ 2.96Å; D321-K325 PolarHBondContact OD1-NZ 3.13Å; D321-K325 IonicContact OD2-NZ 2.61Å; D321-K325 PolarHBondContact OD2-NZ 2.99Å; I322-K325 PolarHBondContact O-N 2.62Å; V323-K325 PolarHBondContact O-N 3.35Å; K325-G327 PolarHBondContact O-N 2.97Å; K325-G327 VanDerWaalsContact O-N 3.13Å
326P73.6Confident85.3Confident139 Ų13949.2 Ų49.290%0.90326%0.257SS*.SBendtrans-67.8113.5179.827.3-33.6000110.5
327G81.7Confident83.6Confident19 Ų1958.6 Ų58.620%0.19629%0.289CS..SBendtrans170.3177.8176.900000113.8M254 K325M254-G327 WeakPolarHBondContact CG-O 3.44Å; K325-G327 PolarHBondContact O-N 2.97Å; K325-G327 VanDerWaalsContact O-N 3.13Å
328P85.8Confident81.4Confident81 Ų8155.4 Ų55.453%0.52628%0.283SS..EExtended strand (participates in β ladder)trans-73.9132.8169.830.9-32.8000110.4T251 L252T251-P328 HydrophobicContact CG2-CB 4.08Å; L252-P328 WeakPolarHBondContact O-CA 3.45Å
329I90.1Very high79.2Confident2 Ų260.3 Ų60.31%0.0132%0.315CS..EExtended strand (participates in β ladder)trans-100.6126.8176.1-59.3177.2000109.1L252 M254 L260 V302 I322 V323 L331L252-I329 PolarHBondContact N-O 3.29Å; L252-I329 PolarHBondContact O-N 3.13Å; M254-I329 HydrophobicContact CE-CB 4.26Å; M254-I329 HydrophobicContact CE-CD1 3.95Å; M254-I329 HydrophobicContact CE-CG1 4.23Å; M254-I329 HydrophobicContact CG-CD1 3.59Å; M254-I329 HydrophobicContact CG-CG1 3.85Å; M254-I329 HydrophobicContact SD-CD1 3.62Å; M254-I329 HydrophobicContact SD-CG1 4.34Å; L260-I329 HydrophobicContact CD1-CD1 4.45Å; V302-I329 HydrophobicContact CG1-CG2 3.84Å; I322-I329 HydrophobicContact CG2-CD1 4Å; I322-I329 HydrophobicContact CG2-CG1 3.97Å; I322-I329 HydrophobicContact CG2-CG2 4.08Å; V323-I329 HydrophobicContact CB-CD1 4.34Å; V323-I329 HydrophobicContact CG2-CD1 3.68Å; I329-L331 HydrophobicContact CG2-CD2 4.26Å
330T90.4Very high76.7Confident32 Ų3263.2 Ų63.220%0.19633%0.331CS..EExtended strand (participates in β ladder)trans-88.1133.2165.151.60000110.2V250 T251 V302 N303V250-T330 WeakPolarHBondContact O-CA 3.44Å; T251-T330 HydrophobicContact CG2-CG2 4.18Å; V302-T330 WeakPolarHBondContact CA-O 3.39Å; N303-T330 WeakPolarHBondContact CA-OG1 3.42Å; N303-T330 PolarHBondContact N-O 3.42Å; N303-T330 PolarHBondContact N-OG1 3.02Å
331L91.9Very high74.7Confident0 Ų062.8 Ų62.80%034%0.342CS..EExtended strand (participates in β ladder)trans-117.6127.6165.1-60.8179.3000108.4T249 V250 L252 L260 I262 V287 I293 L299 V302 I329T249-L331 CarbonylContact C-O 3.54Å; T249-L331 VanDerWaalsContact CA-O 3.32Å; T249-L331 WeakPolarHBondContact CA-O 3.39Å; V250-L331 HydrophobicContact CG2-CB 3.93Å; V250-L331 PolarHBondContact N-O 3.02Å; V250-L331 PolarHBondContact O-N 2.89Å; L252-L331 HydrophobicContact CD1-CD1 3.65Å; L252-L331 HydrophobicContact CD1-CG 4Å; L260-L331 HydrophobicContact CD1-CD1 4.28Å; I262-L331 HydrophobicContact CD1-CD1 4.4Å; V287-L331 HydrophobicContact CG2-CD1 3.73Å; I293-L331 HydrophobicContact CD1-CB 4.14Å; I293-L331 HydrophobicContact CD1-CD1 3.73Å; L299-L331 HydrophobicContact CD1-CD2 4.1Å; V302-L331 HydrophobicContact CB-CD2 4.2Å; V302-L331 HydrophobicContact CG1-CD2 3.78Å; V302-L331 HydrophobicContact CG2-CD2 3.7Å; I329-L331 HydrophobicContact CG2-CD2 4.26Å
332T90.1Very high72.4Confident14 Ų1469.1 Ų69.19%0.08636%0.36CS..EExtended strand (participates in β ladder)trans-107.4118.5167-61.10000108.2I247 I248 T249 L300 Q301I247-T332 HydrophobicContact CG2-CG2 3.39Å; I248-T332 WeakPolarHBondContact O-CA 3.33Å; T249-T332 WeakPolarHBondContact CG2-OG1 2.98Å; T249-T332 PolarHBondContact OG1-OG1 2.97Å; L300-T332 HydrophobicContact CB-CG2 4.45Å; L300-T332 HydrophobicContact CD1-CG2 4.42Å; L300-T332 PolarHBondContact N-O 2.76Å; Q301-T332 PolarHBondContact N-O 2.97Å; Q301-T332 PolarHBondContact O-N 2.9Å
333V91Very high70.1Confident0 Ų072.8 Ų72.80%039%0.386CS..EExtended strand (participates in β ladder)trans-126.6144.7-179.6-53.40000111.1I247 I248 I278 I293 D297 M298 L299I247-V333 CarbonylContact C-O 3.55Å; I247-V333 WeakPolarHBondContact CA-O 3.02Å; I248-V333 HydrophobicContact CD1-CG2 3.99Å; I248-V333 HydrophobicContact CG1-CG2 3.53Å; I248-V333 PolarHBondContact N-O 3.18Å; I248-V333 PolarHBondContact O-N 2.9Å; I278-V333 HydrophobicContact CD1-CG1 4.06Å; I293-V333 HydrophobicContact CD1-CG1 3.95Å; I293-V333 HydrophobicContact CD1-CG2 4.08Å; I293-V333 HydrophobicContact CG1-CG2 3.89Å; D297-V333 HydrophobicContact CB-CB 4.34Å; D297-V333 HydrophobicContact CB-CG2 4.25Å; M298-V333 CarbonylContact O-C 3.56Å; M298-V333 WeakPolarHBondContact O-CA 3.27Å; M298-V333 WeakPolarHBondContact O-CB 3.44Å; L299-V333 HydrophobicContact CD1-CG1 3.8Å
334A88.9Confident68.1Low0 Ų077.1 Ų77.10%042%0.416CS..EExtended strand (participates in β ladder)trans-89129.2167.400000110.1L245 I247 M298 L300 C336L245-A334 HydrophobicContact CB-CB 4.34Å; I247-A334 HydrophobicContact CG1-CB 4.16Å; M298-A334 HydrophobicContact CB-CB 4.49Å; M298-A334 PolarHBondContact N-O 3.39Å; M298-A334 PolarHBondContact O-N 3.34Å; L300-A334 HydrophobicContact CD1-CB 4.21Å; L300-A334 HydrophobicContact CD2-CB 4.38Å; L300-A334 HydrophobicContact CG-CB 4.39Å; A334-C336 PolarHBondContact O-N 2.8Å; A334-C336 VanDerWaalsContact O-N 3.08Å
335K85.1Confident65.9Low37 Ų3780.2 Ų80.216%0.16143%0.428CS..EExtended strand (participates in β ladder)trans-68.8100.4171.2-75.4-54.9-159.2174.30111.2N246 I248 R292 E294 D297 W337N246-K335 HydrophobicContact CB-CB 3.98Å; N246-K335 HydrophobicContact CB-CG 4.38Å; N246-K335 WeakPolarHBondContact O-CB 3.39Å; N246-K335 WeakPolarHBondContact O-CG 3.31Å; N246-K335 PolarHBondContact O-N 3.23Å; I248-K335 HydrophobicContact CD1-CD 4.48Å; R292-K335 WeakPolarHBondContact O-CE 3.34Å; R292-K335 PolarHBondContact O-NZ 3.15Å; E294-K335 IonicContact OE2-NZ 3.88Å; E294-K335 PolarHBondContact OE2-NZ 2.86Å; D297-K335 WeakPolarHBondContact OD1-CD 3.48Å; D297-K335 IonicContact OD1-NZ 2.72Å; D297-K335 PolarHBondContact OD1-NZ 3.09Å; D297-K335 WeakPolarHBondContact OD2-CD 3.22Å; D297-K335 WeakPolarHBondContact OD2-CE 3.35Å; D297-K335 IonicContact OD2-NZ 2.62Å; D297-K335 PolarHBondContact OD2-NZ 2.78Å; K335-W337 PolarHBondContact O-N 3.49Å
336C66.8Low63.8Low47 Ų4778.4 Ų78.432%0.31843%0.433SS..  trans-90.687176.3-66.70000109.8G296 M298 A334 D338G296-C336 WeakPolarHBondContact O-CB 3.36Å; M298-C336 VanDerWaalsContact CB-SG 3.59Å; A334-C336 PolarHBondContact O-N 2.8Å; A334-C336 VanDerWaalsContact O-N 3.08Å; C336-D338 PolarHBondContact O-N 3.19Å
337W50.9Low62.2Low230 Ų23077.9 Ų77.987%0.87142%0.422SS*.  trans-66.3119.9-167.2178.1-90.6000115.3K335K335-W337 PolarHBondContact O-N 3.49Å
338D43.4Very low60Low82 Ų8282.5 Ų82.544%0.43945%0.449SS..  trans51.3109.1162-160.9-2.2000119.2C336 N340C336-D338 PolarHBondContact O-N 3.19Å; D338-N340 PolarHBondContact O-N 3.22Å; D338-N340 VanDerWaalsContact O-N 3.13Å; D338-N340 WeakPolarHBondContact OD1-CB 3.37Å; D338-N340 PolarHBondContact OD1-N 2.83Å
339P41.4Very low58.2Low125 Ų12589.3 Ų89.381%0.81246%0.464SS*.SBendtrans-61.5-10.3168.1-23.835.1000116.4P341P339-P341 VanDerWaalsContact O-CD 3.24Å; P339-P341 WeakPolarHBondContact O-CD 3.3Å
340N36.8Very low56.2Low78 Ų7894.5 Ų94.542%0.41750%0.501SS..  trans-11191-175.1172.159.7000113D338 R342D338-N340 PolarHBondContact O-N 3.22Å; D338-N340 VanDerWaalsContact O-N 3.13Å; D338-N340 WeakPolarHBondContact OD1-CB 3.37Å; D338-N340 PolarHBondContact OD1-N 2.83Å; N340-R342 PolarHBondContact O-N 3.13Å; N340-R342 WeakPolarHBondContact OD1-CB 3.47Å; N340-R342 WeakPolarHBondContact OD1-CD 3.35Å
341P43.4Very low54.3Low98 Ų98100.6 Ų100.664%0.63653%0.527SS*.  trans-74.665.3175.532.2-36.9000112.2P339P339-P341 VanDerWaalsContact O-CD 3.24Å; P339-P341 WeakPolarHBondContact O-CD 3.3Å
342R41.3Very low52Low209 Ų209106.1 Ų106.179%0.78956%0.562SS**  trans-138.643.2-179.4-70-175.6166.8163.4-4.1114.3N340N340-R342 PolarHBondContact O-N 3.13Å; N340-R342 WeakPolarHBondContact OD1-CB 3.47Å; N340-R342 WeakPolarHBondContact OD1-CD 3.35Å
343S37.1Very low50.1Low84 Ų84113.5 Ų113.559%0.58760%0.6SS**  trans-164.832152.6-147.80000116.2F345 A346S343-F345 PolarHBondContact O-N 3.48Å; S343-A346 PolarHBondContact O-N 3.48Å; S343-A346 VanDerWaalsContact OG-CB 3.32Å; S343-A346 WeakPolarHBondContact OG-CB 3.33Å
344C39.1Very low48.7Very low112 Ų112123.1 Ų123.176%0.75764%0.636SS**THydrogen-bonded Turntrans-62.5-8.3178.1-49.10000114.1
345F35.3Very low47.2Very low189 Ų189129 Ų12983%0.82967%0.674SS**THydrogen-bonded Turntrans-123.535.5177.4-70.4-76.4000113.5S343 L347S343-F345 PolarHBondContact O-N 3.48Å; F345-L347 VanDerWaalsContact C-N 3.32Å; F345-L347 PolarHBondContact O-N 3.38Å
346A34.9Very low45.8Very low68 Ų68133.3 Ų133.356%0.56270%0.698SS**  trans-82.178.8158.500000110.7S343S343-A346 PolarHBondContact O-N 3.48Å; S343-A346 VanDerWaalsContact OG-CB 3.32Å; S343-A346 WeakPolarHBondContact OG-CB 3.33Å
347L40.7Very low45.7Very low128 Ų128135.4 Ų135.467%0.6771%0.706SS**  trans-51.9139.1158.4-69.8168.5000109F345 R349F345-L347 VanDerWaalsContact C-N 3.32Å; F345-L347 PolarHBondContact O-N 3.38Å; L347-R349 VanDerWaalsContact C-N 3.32Å; L347-R349 PolarHBondContact O-N 3.02Å
348P36.2Very low46.5Very low117 Ų117129.1 Ų129.176%0.7670%0.695SS**  trans-66.289.5176.426.9-33.8000110.5S350P348-S350 VanDerWaalsContact C-N 3.27Å; P348-S350 PolarHBondContact O-N 2.75Å
349R47.2Very low47.4Very low223 Ų223128 Ų12884%0.84270%0.696SS**THydrogen-bonded Turntrans-75.969.4-177.4-83.1-170.4163.195.1-3.8112.2L347L347-R349 VanDerWaalsContact C-N 3.32Å; L347-R349 PolarHBondContact O-N 3.02Å
350S47.6Very low48.5Very low112 Ų112124.6 Ų124.678%0.78368%0.679SS**THydrogen-bonded Turntrans-152.219.6165.366.90000115.4P348P348-S350 VanDerWaalsContact C-N 3.27Å; P348-S350 PolarHBondContact O-N 2.75Å
351E50.2Low49.9Very low160 Ų160128.9 Ų128.975%0.74869%0.69SS**SBendtrans-116.9135.3165.3-66.7-157.2135.600111I353E351-I353 PolarHBondContact O-N 2.97Å
352P45.1Very low51.1Low115 Ų115128.8 Ų128.875%0.74769%0.687SS**  trans-68.7128.2174.528.7-33000109.5R354P352-R354 PolarHBondContact O-N 3.24Å
353I49.9Very low52.1Low170 Ų170122.7 Ų122.787%0.87268%0.676SS**  trans-61.5101.9179.6-56.3172.5000108.6E351E351-I353 PolarHBondContact O-N 2.97Å
354R61.1Low53.1Low201 Ų201124.3 Ų124.376%0.75868%0.675SS**PPolyproline II helixtrans-69.2140.3168.2-73.1-176.2-81.5165.8-5.9108.3P352 I356P352-R354 PolarHBondContact O-N 3.24Å; R354-I356 PolarHBondContact O-N 2.79Å
355P57.6Low54Low123 Ų123122 Ų12280%0.79966%0.657SS**PPolyproline II helixtrans-57.8139.2171.926.2-33.8000109.1D357P355-D357 PolarHBondContact O-N 3.43Å
356I56Low55Low129 Ų129115 Ų11566%0.66263%0.634SS**PPolyproline II helixtrans-64.2120.5-178.8-59.7171.9000108.2R354 P358 W361R354-I356 PolarHBondContact O-N 2.79Å; I356-P358 VanDerWaalsContact O-CD 3.31Å; I356-P358 WeakPolarHBondContact O-CD 3.33Å; I356-W361 HydrophobicContact CG2-CE3 4.07Å
357D64.2Low55.9Low90 Ų90115.8 Ų115.848%0.48164%0.641SS.*PPolyproline II helixtrans-72.2117.5174.3177.63000109.6P355 A359 A360 W361P355-D357 PolarHBondContact O-N 3.43Å; D357-A359 PolarHBondContact O-N 3.08Å; D357-A359 WeakPolarHBondContact OD1-CB 3.18Å; D357-A359 PolarHBondContact OD1-N 3.17Å; D357-A360 HydrophobicContact CB-CB 3.9Å; D357-A360 PolarHBondContact O-N 3.26Å; D357-A360 VanDerWaalsContact O-N 3.16Å; D357-W361 PolarHBondContact O-N 3.15Å; D357-W361 VanDerWaalsContact O-N 3.16Å
358P68.9Low56.2Low98 Ų98116.4 Ų116.464%0.63664%0.642SS**Hα-helixtrans-59.9-31.6177.8-22.334.4000112.8I356 W361 V362I356-P358 VanDerWaalsContact O-CD 3.31Å; I356-P358 WeakPolarHBondContact O-CD 3.33Å; P358-W361 PolarHBondContact O-N 3.34Å; P358-V362 WeakPolarHBondContact O-CG2 3.47Å; P358-V362 PolarHBondContact O-N 2.9Å
359A60.7Low57.2Low58 Ų58115.1 Ų115.148%0.47963%0.632SS.*Hα-helixtrans-69.6-37.117800000111.7D357 V362 S363D357-A359 PolarHBondContact O-N 3.08Å; D357-A359 WeakPolarHBondContact OD1-CB 3.18Å; D357-A359 PolarHBondContact OD1-N 3.17Å; A359-V362 PolarHBondContact O-N 3.05Å; A359-S363 VanDerWaalsContact O-CB 3.29Å; A359-S363 WeakPolarHBondContact O-CB 3.19Å; A359-S363 PolarHBondContact O-N 2.81Å; A359-S363 PolarHBondContact O-OG 3.41Å
360A65.4Low57.3Low55 Ų55107.4 Ų107.446%0.45562%0.622SS.*Hα-helixtrans-65.9-40.7174.200000111.9D357 H364D357-A360 HydrophobicContact CB-CB 3.9Å; D357-A360 PolarHBondContact O-N 3.26Å; D357-A360 VanDerWaalsContact O-N 3.16Å; A360-H364 PolarHBondContact O-N 2.92Å
361W65.8Low57Low167 Ų167107.3 Ų107.363%0.63362%0.616SS**Hα-helixtrans-60.3-54.6172.8-171.5-47000110.6I356 D357 P358 S363 H364 T365I356-W361 HydrophobicContact CG2-CE3 4.07Å; D357-W361 PolarHBondContact O-N 3.15Å; D357-W361 VanDerWaalsContact O-N 3.16Å; P358-W361 PolarHBondContact O-N 3.34Å; W361-S363 VanDerWaalsContact C-N 3.26Å; W361-S363 PolarHBondContact O-N 2.76Å; W361-H364 PolarHBondContact O-N 2.89Å; W361-T365 VanDerWaalsContact CD1-OG1 3.3Å; W361-T365 PolarHBondContact NE1-OG1 3.22Å; W361-T365 PolarHBondContact O-N 3.39Å; W361-T365 PolarHBondContact O-OG1 3.24Å
362V68.1Low56.2Low97 Ų97110 Ų11059%0.58862%0.621SS**Hα-helixtrans-60.9-36.8-177.5172.30000111.4P358 A359 T365 A366P358-V362 WeakPolarHBondContact O-CG2 3.47Å; P358-V362 PolarHBondContact O-N 2.9Å; A359-V362 PolarHBondContact O-N 3.05Å; V362-T365 PolarHBondContact O-N 3.09Å; V362-A366 VanDerWaalsContact O-CB 3.25Å; V362-A366 WeakPolarHBondContact O-CB 3.19Å; V362-A366 PolarHBondContact O-N 3.12Å
363S62.3Low55.9Low80 Ų80108.3 Ų108.356%0.55961%0.61SS**Hα-helixtrans-62.2-43.9174.4-60.20000112.3A359 W361 A367A359-S363 VanDerWaalsContact O-CB 3.29Å; A359-S363 WeakPolarHBondContact O-CB 3.19Å; A359-S363 PolarHBondContact O-N 2.81Å; A359-S363 PolarHBondContact O-OG 3.41Å; W361-S363 VanDerWaalsContact C-N 3.26Å; W361-S363 PolarHBondContact O-N 2.76Å; S363-A367 VanDerWaalsContact O-CB 3.29Å; S363-A367 WeakPolarHBondContact O-CB 3.34Å; S363-A367 PolarHBondContact O-N 3.12Å
364H59.5Low55.4Low119 Ų119106.5 Ų106.555%0.55161%0.609SS**Hα-helixtrans-68.5-42.3178.6-171.671.4000112A360 W361 A367 M368A360-H364 PolarHBondContact O-N 2.92Å; W361-H364 PolarHBondContact O-N 2.89Å; H364-A367 PolarHBondContact O-N 2.88Å; H364-M368 WeakPolarHBondContact O-CG 3.45Å; H364-M368 PolarHBondContact O-N 2.81Å; H364-M368 VanDerWaalsContact O-N 3.09Å
365T56.8Low54.1Low62 Ų62107.4 Ų107.438%0.3861%0.614SS.*Hα-helixtrans-63.3-46.1174.4-57.30000111.7W361 V362 A367 M368 T369W361-T365 VanDerWaalsContact CD1-OG1 3.3Å; W361-T365 PolarHBondContact NE1-OG1 3.22Å; W361-T365 PolarHBondContact O-N 3.39Å; W361-T365 PolarHBondContact O-OG1 3.24Å; V362-T365 PolarHBondContact O-N 3.09Å; T365-A367 VanDerWaalsContact C-N 3.32Å; T365-A367 PolarHBondContact O-N 3.32Å; T365-M368 PolarHBondContact O-N 2.88Å; T365-M368 VanDerWaalsContact O-N 3.11Å; T365-T369 HydrophobicContact CG2-CG2 4.32Å; T365-T369 PolarHBondContact O-N 2.8Å; T365-T369 PolarHBondContact O-OG1 2.93Å; T365-T369 VanDerWaalsContact O-OG1 3.1Å
366A56.1Low53Low42 Ų42105 Ų10535%0.34761%0.612SS.*Hα-helixtrans-63.9-36.117800000112.7V362 M368 G370V362-A366 VanDerWaalsContact O-CB 3.25Å; V362-A366 WeakPolarHBondContact O-CB 3.19Å; V362-A366 PolarHBondContact O-N 3.12Å; A366-M368 VanDerWaalsContact C-N 3.3Å; A366-M368 PolarHBondContact O-N 2.92Å; A366-G370 PolarHBondContact O-N 3.49Å
367A54.6Low51.8Low85 Ų85108.4 Ų108.470%0.70263%0.627SS**Hα-helixtrans-66.7-29.9173.600000113.1S363 H364 T365S363-A367 VanDerWaalsContact O-CB 3.29Å; S363-A367 WeakPolarHBondContact O-CB 3.34Å; S363-A367 PolarHBondContact O-N 3.12Å; H364-A367 PolarHBondContact O-N 2.88Å; T365-A367 VanDerWaalsContact C-N 3.32Å; T365-A367 PolarHBondContact O-N 3.32Å
368M46.6Very low50.2Low142 Ų142109.8 Ų109.870%0.764%0.644SS**Hα-helixtrans-85.6-27.3177.5-70.5-67.3-178.800113.8H364 T365 A366H364-M368 WeakPolarHBondContact O-CG 3.45Å; H364-M368 PolarHBondContact O-N 2.81Å; H364-M368 VanDerWaalsContact O-N 3.09Å; T365-M368 PolarHBondContact O-N 2.88Å; T365-M368 VanDerWaalsContact O-N 3.11Å; A366-M368 VanDerWaalsContact C-N 3.3Å; A366-M368 PolarHBondContact O-N 2.92Å
369T58.3Low49.1Very low89 Ų89110.9 Ų110.955%0.54665%0.651SS.*Hα-helixtrans-97.6-16.8179.859.90000114.2T365 V371T365-T369 HydrophobicContact CG2-CG2 4.32Å; T365-T369 PolarHBondContact O-N 2.8Å; T365-T369 PolarHBondContact O-OG1 2.93Å; T365-T369 VanDerWaalsContact O-OG1 3.1Å; T369-V371 PolarHBondContact O-N 3.49Å
370G48.3Very low47.5Very low61 Ų61114.1 Ų114.163%0.62967%0.671SS**  trans71-4.1173.700000116.2A366A366-G370 PolarHBondContact O-N 3.49Å
371V40.6Very low46.1Very low111 Ų111119.9 Ų119.967%0.67369%0.69SS**  trans-90.1109.2-178.3179.60000110.6T369T369-V371 PolarHBondContact O-N 3.49Å
372Y34.8Very low44.5Very low215 Ų215116.7 Ų116.784%0.84369%0.694SS**PPolyproline II helixtrans-73.5129.5166.8-91.9-95.2000110.9
373P38.4Very low42.7Very low80 Ų80119.3 Ų119.352%0.51971%0.71SS.*PPolyproline II helixtrans-75.2125.5167.429.7-31.6000110.2Y375P373-Y375 HydrophobicContact CG-CE2 4.19Å; P373-Y375 WeakPolarHBondContact O-CD2 3.22Å; P373-Y375 PolarHBondContact O-N 3.5Å
374P38.4Very low41.7Very low132 Ų132121.6 Ų121.686%0.85772%0.72SS**PPolyproline II helixtrans-74.5116.3176.329-32.9000110.8G376P374-G376 PolarHBondContact O-N 2.94Å
375Y35.7Very low40.3Very low220 Ų220122.2 Ų122.286%0.86373%0.733SS**  trans-79.1105.3-179.8-79.1-94.5000112.5P373P373-Y375 HydrophobicContact CG-CE2 4.19Å; P373-Y375 WeakPolarHBondContact O-CD2 3.22Å; P373-Y375 PolarHBondContact O-N 3.5Å
376G32.9Very low39Very low72 Ų72124 Ų12474%0.74275%0.747SS**  trans75.6120.4136.100000119.8P374P374-G376 PolarHBondContact O-N 2.94Å
377M30.5Very low38Very low201 Ų201128.2 Ų128.299%0.9977%0.769SS**  trans-153.5145.3142.8-112.7168.6143.300109.7
378S31.4Very low36.9Very low119 Ų119130.4 Ų130.483%0.83278%0.779SS**  trans-98157.3-171.5-72.80000113.2
379P44.8Very low36.3Very low122 Ų122129.3 Ų129.379%0.79279%0.785SS**  trans-84.4148.8-16833.1-36.8000114.8
380S29.2Very low35.2Very low126 Ų126130.5 Ų130.588%0.88180%0.797SS**  trans-158.8160160.9-80.40000109.9
381M34Very low34.9Very low175 Ų175135.6 Ų135.686%0.86281%0.809SS**  trans-106.2150.7-151.1-61-174.174.600117.1
382S33.9Very low34.6Very low101 Ų101135.7 Ų135.771%0.70681%0.814SS**  trans65.7109144.2-62.90000121
383T30.1Very low34.5Very low151 Ų151130.4 Ų130.493%0.92681%0.808SS**  -157158.2113.95.40000110.6
384V41.5Very low34.8Very low128 Ų128132 Ų13278%0.77682%0.822SS**  trans-100.7140.1-169-68.20000113.2
385T30.3Very low34.7Very low133 Ų133131.1 Ų131.182%0.81681%0.809SS**  -173.7149.1121.214.10000114.3
386S29.2Very low34.8Very low99 Ų99125.1 Ų125.169%0.69280%0.796SS**  trans65.499.7147.6-56.80000121.9
387T35.1Very low34.9Very low131 Ų131129.3 Ų129.380%0.80480%0.797SS**  54.889.2128.359.30000120.1
388S30.9Very low35.2Very low131 Ų131124.6 Ų124.692%0.91678%0.779SS**  -159.5146.3120.3-80.50000109.7
389S34.8Very low35.5Very low118 Ų118125.1 Ų125.183%0.82577%0.768SS**  trans-92.8116.8-163.451.20000114.2
390S35.1Very low35.2Very low114 Ų114127.8 Ų127.880%0.79776%0.763SS**  trans-169.2111152.8-82.30000110.7
391I40.3Very low35.7Very low169 Ų169127.8 Ų127.887%0.86775%0.747SS**  170.5154.2113.454.8-179.3000111.3
392S36.3Very low36.1Very low112 Ų112124.2 Ų124.278%0.78373%0.731SS**  trans63.891.5161.1-154.30000118.3
393S31.8Very low36.8Very low104 Ų104126.9 Ų126.973%0.72774%0.738SS**  trans-103.8124.3140.7-174.90000107.3
394S44.8Very low37.9Very low114 Ų114124.6 Ų124.680%0.79772%0.715SS**  trans-88.2107.7-17852.50000110.9
395I35.8Very low38.8Very low114 Ų114125.6 Ų125.659%0.58571%0.711SS**  trans-131143.5179.5-64.8-178.4000106.4
396P38Very low40.8Very low93 Ų93119.6 Ų119.660%0.60467%0.674SS**  trans-77169.1-154.529.6-36.8000116T398P396-T398 PolarHBondContact O-N 3.17Å
397E35.5Very low42.8Very low160 Ų160116.6 Ų116.675%0.74865%0.653SS**THydrogen-bonded Turntrans-73.546.3-176.7-62.6-165.296.800114.8R400E397-R400 IonicContact OE1-CZ 3.13Å; E397-R400 IonicContact OE1-NH1 3.52Å; E397-R400 IonicContact OE1-NH2 3.18Å; E397-R400 PolarHBondContact OE1-NH2 3.14Å
398T35.3Very low44.7Very low102 Ų102113.5 Ų113.563%0.62663%0.631SS**THydrogen-bonded Turntrans-118.6-12.917747.80000114.1P396P396-T398 PolarHBondContact O-N 3.17Å
399E37.8Very low46.5Very low130 Ų130115.6 Ų115.661%0.60763%0.626SS**  trans-108.533.4-170.9-61.4179.4171.200113.6
400R39.8Very low48.6Very low178 Ų178111.5 Ų111.567%0.67260%0.597SS**SBendtrans-92.80.7172.8-69.7-155.4-155.5100.911.6114.6E397E397-R400 IonicContact OE1-CZ 3.13Å; E397-R400 IonicContact OE1-NH1 3.52Å; E397-R400 IonicContact OE1-NH2 3.18Å; E397-R400 PolarHBondContact OE1-NH2 3.14Å
401F39.7Very low50.8Low127 Ų127111.7 Ų111.756%0.55759%0.589SS**SBendtrans-106.5-4.9-174.2-68.4-78.2000114.7D403 E423F401-D403 PolarHBondContact O-N 3.15Å; F401-E423 HydrophobicContact CE1-CB 4.08Å; F401-E423 HydrophobicContact CE1-CG 3.84Å; F401-E423 WeakPolarHBondContact CE1-O 3.37Å; F401-E423 HydrophobicContact CZ-CG 3.91Å
402D41.9Very low52.8Low99 Ų99105.5 Ų105.553%0.52956%0.557SS.*THydrogen-bonded Turntrans-82.31.4-171.6-76.7-79.8000116.1F404D402-F404 VanDerWaalsContact C-N 3.31Å; D402-F404 PolarHBondContact O-N 3.08Å
403D48.5Very low54.9Low157 Ų157101.7 Ų101.784%0.8453%0.529SS*.THydrogen-bonded Turntrans-92.820.5-177.6-128.8-21.8000114.1F401F401-D403 PolarHBondContact O-N 3.15Å
404F54Low57.4Low104 Ų10499.2 Ų99.246%0.45651%0.51SS..  trans-132.865.1168.4-75.1-63.1000111.2D402 L406 T414 A418D402-F404 VanDerWaalsContact C-N 3.31Å; D402-F404 PolarHBondContact O-N 3.08Å; F404-L406 HydrophobicContact CB-CG 4.21Å; F404-L406 HydrophobicContact CD1-CD2 4.31Å; F404-L406 PolarHBondContact O-N 3.48Å; F404-T414 HydrophobicContact CE1-CG2 4.47Å; F404-A418 HydrophobicContact CD1-CB 4.07Å; F404-A418 HydrophobicContact CD2-CB 4.3Å; F404-A418 HydrophobicContact CE1-CB 4.19Å; F404-A418 HydrophobicContact CE2-CB 4.42Å; F404-A418 HydrophobicContact CG-CB 4.13Å; F404-A418 HydrophobicContact CZ-CB 4.37Å
405H58.9Low59.3Low149 Ų14993.8 Ų93.869%0.6947%0.472SS*.  trans-65.976.9162.6-70.4-59000110.7
406L73Confident61.6Low6 Ų688.4 Ų88.43%0.03144%0.444CS..EExtended strand (participates in β ladder)trans-80.3129.5177-56.8174000109.5F404 T414 V415 A418 W450 V455 E456F404-L406 HydrophobicContact CB-CG 4.21Å; F404-L406 HydrophobicContact CD1-CD2 4.31Å; F404-L406 PolarHBondContact O-N 3.48Å; L406-T414 HydrophobicContact CD2-CG2 4.06Å; L406-V415 HydrophobicContact CB-CG2 4.49Å; L406-V415 HydrophobicContact CD1-CG1 4.45Å; L406-V415 HydrophobicContact CD1-CG2 4.27Å; L406-V415 HydrophobicContact CD2-CG2 4.12Å; L406-A418 HydrophobicContact CD1-CB 3.77Å; L406-W450 HydrophobicContact CD1-CH2 3.61Å; L406-W450 HydrophobicContact CD1-CZ3 4.11Å; L406-V455 HydrophobicContact CB-CB 4.33Å; L406-V455 HydrophobicContact CB-CG1 4.21Å; L406-V455 HydrophobicContact CB-CG2 3.95Å; L406-V455 HydrophobicContact CD1-CG2 4.11Å; L406-V455 CarbonylContact O-C 3.56Å; L406-V455 WeakPolarHBondContact O-CA 3.46Å; L406-E456 PolarHBondContact O-N 2.88Å
407S71.9Confident63.7Low37 Ų3788.6 Ų88.626%0.25944%0.436SS..EExtended strand (participates in β ladder)trans-113.9166.3170.3-178.70000109.5H409 S410 V455 E456S407-H409 PolarHBondContact O-N 3.28Å; S407-H409 PolarHBondContact OG-N 3.01Å; S407-S410 PolarHBondContact N-OG 2.9Å; S407-S410 VanDerWaalsContact O-CB 3.31Å; S407-S410 WeakPolarHBondContact O-CB 3.08Å; S407-S410 PolarHBondContact O-N 3.35Å; S407-S410 PolarHBondContact O-OG 3.31Å; S407-V455 VanDerWaalsContact C-CG1 3.41Å; S407-E456 WeakPolarHBondContact CA-O 3.36Å
408I74.2Confident65.9Low65 Ų6581.1 Ų81.133%0.33340%0.401SS..THydrogen-bonded Turntrans-49.3-29162.9-69.2-176000112E456 G457 F458I408-E456 PolarHBondContact N-O 2.71Å; I408-E456 VanDerWaalsContact N-O 3.11Å; I408-G457 VanDerWaalsContact CD1-O 3.28Å; I408-G457 WeakPolarHBondContact CD1-O 3.39Å; I408-F458 HydrophobicContact CD1-CD1 3.58Å; I408-F458 HydrophobicContact CD1-CE1 3.88Å; I408-F458 HydrophobicContact CD1-CG 4.27Å; I408-F458 HydrophobicContact CG1-CD1 3.87Å; I408-F458 HydrophobicContact CG1-CE1 3.78Å; I408-F458 HydrophobicContact CG1-CG 4.39Å; I408-F458 HydrophobicContact CG1-CZ 4.26Å
409H68.1Low68.3Low176 Ų17676.2 Ų76.282%0.81537%0.371SS*.THydrogen-bonded Turntrans-80.6-9.4177.5-60.6-64.6000115.1S407S407-H409 PolarHBondContact O-N 3.28Å; S407-H409 PolarHBondContact OG-N 3.01Å
410S80.7Confident70.3Confident31 Ų3171.9 Ų71.922%0.21736%0.357CS..SBendtrans-73.9144.4178.3-59.90000111.5S407 M412S407-S410 PolarHBondContact N-OG 2.9Å; S407-S410 VanDerWaalsContact O-CB 3.31Å; S407-S410 WeakPolarHBondContact O-CB 3.08Å; S407-S410 PolarHBondContact O-N 3.35Å; S407-S410 PolarHBondContact O-OG 3.31Å; S410-M412 PolarHBondContact O-N 3.28Å
411D80.7Confident72.1Confident118 Ų11865.6 Ų65.663%0.63134%0.34SS*.  trans-53.5133.2178.8-76.4-55.1000112.1T413 T414 V415D411-T413 PolarHBondContact O-N 2.93Å; D411-T413 VanDerWaalsContact O-N 3.12Å; D411-T414 WeakPolarHBondContact O-CA 3.47Å; D411-T414 WeakPolarHBondContact O-CB 3.48Å; D411-T414 PolarHBondContact O-N 3.45Å; D411-V415 PolarHBondContact O-N 3.48Å
412M82.3Confident73.4Confident39 Ų3966.4 Ų66.419%0.19236%0.358CS..Hα-helixtrans-56.8-31.1176.9-66.1172.366.300112.1S410 A416 Y467 N470 L471 A474 Y476S410-M412 PolarHBondContact O-N 3.28Å; M412-A416 WeakPolarHBondContact O-CB 3.1Å; M412-A416 PolarHBondContact O-N 3.33Å; M412-Y467 WeakPolarHBondContact CG-OH 3.4Å; M412-N470 VanDerWaalsContact CE-C 3.49Å; M412-N470 HydrophobicContact CE-CB 4Å; M412-N470 WeakPolarHBondContact CE-ND2 3.23Å; M412-N470 WeakPolarHBondContact CE-O 3.26Å; M412-N470 PolarHBondContact SD-ND2 3.2Å; M412-N470 VanDerWaalsContact SD-ND2 3.36Å; M412-L471 HydrophobicContact CB-CD2 4.07Å; M412-L471 HydrophobicContact CE-CD2 4.07Å; M412-L471 HydrophobicContact CE-CG 4.26Å; M412-A474 HydrophobicContact CE-CB 3.64Å; M412-Y476 HydrophobicContact CB-CD2 3.9Å; M412-Y476 HydrophobicContact CB-CE2 3.58Å; M412-Y476 HydrophobicContact CE-CD2 4.14Å; M412-Y476 HydrophobicContact CE-CE2 4.27Å
413T81.2Confident74.7Confident32 Ų3268.1 Ų68.120%0.19636%0.363CS..Hα-helixtrans-62.2-40.7171.5-44.10000112.5D411 K417 Y476D411-T413 PolarHBondContact O-N 2.93Å; D411-T413 VanDerWaalsContact O-N 3.12Å; T413-K417 HydrophobicContact CG2-CD 4.46Å; T413-K417 WeakPolarHBondContact O-CB 3.08Å; T413-K417 VanDerWaalsContact O-CG 3.27Å; T413-K417 WeakPolarHBondContact O-CG 3.29Å; T413-K417 PolarHBondContact O-N 2.76Å; T413-Y476 HydrophobicContact CG2-CE1 4.21Å; T413-Y476 PolarHBondContact OG1-OH 3.14Å
414T82.8Confident76Confident53 Ų5361.5 Ų61.533%0.32533%0.329SS..Hα-helixtrans-74.7-42.4-178.3-57.40000110.4F404 L406 D411 A416 K417 A418F404-T414 HydrophobicContact CE1-CG2 4.47Å; L406-T414 HydrophobicContact CD2-CG2 4.06Å; D411-T414 WeakPolarHBondContact O-CA 3.47Å; D411-T414 WeakPolarHBondContact O-CB 3.48Å; D411-T414 PolarHBondContact O-N 3.45Å; T414-A416 VanDerWaalsContact C-N 3.33Å; T414-A416 PolarHBondContact O-N 3.13Å; T414-K417 PolarHBondContact O-N 2.84Å; T414-A418 WeakPolarHBondContact O-CB 3.45Å; T414-A418 PolarHBondContact O-N 3.05Å
415V84.6Confident76.7Confident0 Ų059.8 Ų59.80%034%0.34CS..Hα-helixtrans-60.5-42.2171.3-179.10000111L406 D411 A418 M419 W450 L451 V455 Y467L406-V415 HydrophobicContact CB-CG2 4.49Å; L406-V415 HydrophobicContact CD1-CG1 4.45Å; L406-V415 HydrophobicContact CD1-CG2 4.27Å; L406-V415 HydrophobicContact CD2-CG2 4.12Å; D411-V415 PolarHBondContact O-N 3.48Å; V415-A418 PolarHBondContact O-N 2.95Å; V415-M419 WeakPolarHBondContact O-CG 3.15Å; V415-M419 PolarHBondContact O-N 3.15Å; V415-W450 HydrophobicContact CG1-CZ3 4.11Å; V415-L451 HydrophobicContact CG1-CD2 3.54Å; V415-V455 HydrophobicContact CG1-CG2 4.12Å; V415-Y467 HydrophobicContact CB-CE1 4.43Å; V415-Y467 HydrophobicContact CG1-CE1 4.04Å; V415-Y467 WeakPolarHBondContact CG2-OH 3.17Å
416A85.1Confident77.8Confident0 Ų053.4 Ų53.40%031%0.312CS..Hα-helixtrans-68.2-3517700000113.6M412 T414 M419 A420 L471 Y476 L497M412-A416 WeakPolarHBondContact O-CB 3.1Å; M412-A416 PolarHBondContact O-N 3.33Å; T414-A416 VanDerWaalsContact C-N 3.33Å; T414-A416 PolarHBondContact O-N 3.13Å; A416-M419 HydrophobicContact CB-CE 4.31Å; A416-A420 WeakPolarHBondContact O-CB 3.44Å; A416-A420 PolarHBondContact O-N 3.29Å; A416-L471 HydrophobicContact CB-CD2 4.45Å; A416-Y476 HydrophobicContact CB-CD1 4.12Å; A416-Y476 HydrophobicContact CB-CG 4.15Å; A416-L497 HydrophobicContact CB-CD2 3.79Å
417K81.3Confident77.9Confident97 Ų9757.8 Ų57.842%0.42233%0.332SS..Hα-helixtrans-66-44.6171.5-78171.7177.6-179.40111.9T413 T414 A420 C421T413-K417 HydrophobicContact CG2-CD 4.46Å; T413-K417 WeakPolarHBondContact O-CB 3.08Å; T413-K417 VanDerWaalsContact O-CG 3.27Å; T413-K417 WeakPolarHBondContact O-CG 3.29Å; T413-K417 PolarHBondContact O-N 2.76Å; T414-K417 PolarHBondContact O-N 2.84Å; K417-A420 CarbonylContact O-C 3.5Å; K417-A420 PolarHBondContact O-N 3.37Å; K417-A420 VanDerWaalsContact O-N 3.08Å; K417-C421 PolarHBondContact O-N 2.93Å; K417-C421 VanDerWaalsContact O-N 3.15Å; K417-C421 PolarHBondContact O-SG 2.64Å
418A83.3Confident78.4Confident3 Ų358.1 Ų58.13%0.02533%0.332CS..Hα-helixtrans-62.4-42.5177.700000112F404 L406 T414 V415 A420 C421 S424 W450F404-A418 HydrophobicContact CD1-CB 4.07Å; F404-A418 HydrophobicContact CD2-CB 4.3Å; F404-A418 HydrophobicContact CE1-CB 4.19Å; F404-A418 HydrophobicContact CE2-CB 4.42Å; F404-A418 HydrophobicContact CG-CB 4.13Å; F404-A418 HydrophobicContact CZ-CB 4.37Å; L406-A418 HydrophobicContact CD1-CB 3.77Å; T414-A418 WeakPolarHBondContact O-CB 3.45Å; T414-A418 PolarHBondContact O-N 3.05Å; V415-A418 PolarHBondContact O-N 2.95Å; A418-A420 VanDerWaalsContact C-N 3.26Å; A418-A420 PolarHBondContact O-N 2.91Å; A418-C421 WeakPolarHBondContact O-CB 3.2Å; A418-C421 PolarHBondContact O-N 2.83Å; A418-S424 WeakPolarHBondContact O-CB 3.22Å; A418-W450 HydrophobicContact CB-CH2 3.9Å; A418-W450 HydrophobicContact CB-CZ2 4.33Å
419M83.9Confident78.4Confident0 Ų062.3 Ų62.30%034%0.344CS..Hα-helixtrans-58.5-37170.8-75.1-170.2-61.200112.9V415 A416 C421 S424 L426 V447 W450 L451 L471 F494V415-M419 WeakPolarHBondContact O-CG 3.15Å; V415-M419 PolarHBondContact O-N 3.15Å; A416-M419 HydrophobicContact CB-CE 4.31Å; M419-C421 VanDerWaalsContact C-N 3.32Å; M419-S424 PolarHBondContact O-OG 2.85Å; M419-L426 HydrophobicContact CB-CD2 4Å; M419-L426 HydrophobicContact CG-CD2 4.36Å; M419-L426 HydrophobicContact SD-CD2 4.49Å; M419-V447 HydrophobicContact SD-CG1 4.05Å; M419-W450 HydrophobicContact CG-CD2 3.74Å; M419-W450 HydrophobicContact CG-CE3 3.3Å; M419-W450 HydrophobicContact CG-CH2 3.73Å; M419-W450 HydrophobicContact CG-CZ2 4.12Å; M419-W450 HydrophobicContact CG-CZ3 3.31Å; M419-W450 HydrophobicContact SD-CE3 3.94Å; M419-W450 HydrophobicContact SD-CZ3 4.26Å; M419-L451 HydrophobicContact SD-CD2 4.38Å; M419-L451 HydrophobicContact SD-CG 4.44Å; M419-L471 HydrophobicContact CE-CD1 3.77Å; M419-F494 HydrophobicContact CB-CE1 3.83Å; M419-F494 HydrophobicContact CB-CZ 3.94Å; M419-F494 HydrophobicContact CE-CE1 4.42Å
420A80.9Confident78.8Confident38 Ų3858.8 Ų58.831%0.31433%0.331SS..Hα-helixtrans-80.2-6.1-178.300000114.5A416 K417 A418 F494 L497A416-A420 WeakPolarHBondContact O-CB 3.44Å; A416-A420 PolarHBondContact O-N 3.29Å; K417-A420 CarbonylContact O-C 3.5Å; K417-A420 PolarHBondContact O-N 3.37Å; K417-A420 VanDerWaalsContact O-N 3.08Å; A418-A420 VanDerWaalsContact C-N 3.26Å; A418-A420 PolarHBondContact O-N 2.91Å; A420-F494 HydrophobicContact CB-CD1 4.33Å; A420-F494 HydrophobicContact CB-CD2 4.02Å; A420-F494 HydrophobicContact CB-CE1 4.07Å; A420-F494 HydrophobicContact CB-CE2 3.73Å; A420-F494 HydrophobicContact CB-CG 4.32Å; A420-F494 HydrophobicContact CB-CZ 3.77Å; A420-L497 HydrophobicContact CB-CD1 4.06Å
421C77.1Confident78.6Confident47 Ų4759.4 Ų59.432%0.31833%0.328SS..SBendtrans-66.4131.1170.7-69.70000110K417 A418 M419 E423 S424K417-C421 PolarHBondContact O-N 2.93Å; K417-C421 VanDerWaalsContact O-N 3.15Å; K417-C421 PolarHBondContact O-SG 2.64Å; A418-C421 WeakPolarHBondContact O-CB 3.2Å; A418-C421 PolarHBondContact O-N 2.83Å; M419-C421 VanDerWaalsContact C-N 3.32Å; C421-E423 PolarHBondContact O-N 3.22Å; C421-E423 VanDerWaalsContact O-N 3.1Å; C421-S424 WeakPolarHBondContact O-CB 3.39Å; C421-S424 PolarHBondContact O-N 3.41Å; C421-S424 PolarHBondContact O-OG 2.94Å
422P67.5Low77.9Confident144 Ų14460.2 Ų60.294%0.93533%0.33SS*.THydrogen-bonded Turntrans-61.2-20.9179.2-26.235.5000114.8
423E68.3Low76.9Confident135 Ų13564.1 Ų64.163%0.63134%0.343SS*.THydrogen-bonded Turntrans-92.53.2177.8-126.6173.3158.900113F401 C421 G425F401-E423 HydrophobicContact CE1-CB 4.08Å; F401-E423 HydrophobicContact CE1-CG 3.84Å; F401-E423 WeakPolarHBondContact CE1-O 3.37Å; F401-E423 HydrophobicContact CZ-CG 3.91Å; C421-E423 PolarHBondContact O-N 3.22Å; C421-E423 VanDerWaalsContact O-N 3.1Å; E423-G425 PolarHBondContact O-N 2.92Å
424S76.8Confident75.9Confident18 Ų1869 Ų6913%0.12637%0.367CS..SBendtrans-68-18.3-173.672.80000114.8A418 M419 C421 L426 W450A418-S424 WeakPolarHBondContact O-CB 3.22Å; M419-S424 PolarHBondContact O-OG 2.85Å; C421-S424 WeakPolarHBondContact O-CB 3.39Å; C421-S424 PolarHBondContact O-N 3.41Å; C421-S424 PolarHBondContact O-OG 2.94Å; S424-L426 VanDerWaalsContact C-N 3.32Å; S424-L426 PolarHBondContact OG-N 2.93Å; S424-W450 PolarHBondContact O-NE1 2.95Å
425G69Low74.4Confident67 Ų6774.9 Ų74.969%0.69139%0.388SS*.SBendtrans81.51-171.600000114.9E423E423-G425 PolarHBondContact O-N 2.92Å
426L80.9Confident73.5Confident16 Ų1680.1 Ų80.18%0.08442%0.415CS..  trans-78.5131.7168.6-177.365.2000110.4M419 S424 V428 F442 D446 V447 W450 F494M419-L426 HydrophobicContact CB-CD2 4Å; M419-L426 HydrophobicContact CG-CD2 4.36Å; M419-L426 HydrophobicContact SD-CD2 4.49Å; S424-L426 VanDerWaalsContact C-N 3.32Å; S424-L426 PolarHBondContact OG-N 2.93Å; L426-V428 VanDerWaalsContact C-N 3.28Å; L426-V428 HydrophobicContact CB-CG2 4.29Å; L426-V428 HydrophobicContact CD2-CG2 3.88Å; L426-V428 HydrophobicContact CG-CG2 3.95Å; L426-V428 PolarHBondContact O-N 3.4Å; L426-F442 HydrophobicContact CD2-CB 4.39Å; L426-F442 HydrophobicContact CD2-CD1 4.42Å; L426-F442 HydrophobicContact CD2-CG 4.27Å; L426-F442 HydrophobicContact CG-CB 4.4Å; L426-D446 HydrophobicContact CD1-CB 3.76Å; L426-D446 WeakPolarHBondContact CD1-O 3.43Å; L426-V447 HydrophobicContact CD1-CG2 4.28Å; L426-V447 HydrophobicContact CD2-CG2 4.49Å; L426-W450 HydrophobicContact CB-CG 4.27Å; L426-W450 HydrophobicContact CD1-CB 4.06Å; L426-W450 HydrophobicContact CD1-CG 4.48Å; L426-F494 HydrophobicContact CD2-CZ 4.03Å
427E75.2Confident72.8Confident97 Ų9783 Ų8345%0.45343%0.433SS..  trans-73.177.2175.2-77.4-148.2174.400112.8R429 R431E427-R429 PolarHBondContact O-N 2.8Å; E427-R431 VanDerWaalsContact CB-NH2 3.35Å; E427-R431 IonicContact OE2-CZ 2.76Å; E427-R431 IonicContact OE2-NH2 3.12Å; E427-R431 PolarHBondContact OE2-NH2 3.13Å
428V83.2Confident72.7Confident44 Ų4479.9 Ų79.927%0.26742%0.42SS..  trans-86.4102.6169.7-174.20000108.3L426 N440 F442 F494L426-V428 VanDerWaalsContact C-N 3.28Å; L426-V428 HydrophobicContact CB-CG2 4.29Å; L426-V428 HydrophobicContact CD2-CG2 3.88Å; L426-V428 HydrophobicContact CG-CG2 3.95Å; L426-V428 PolarHBondContact O-N 3.4Å; V428-N440 HydrophobicContact CG1-CB 3.87Å; V428-F442 HydrophobicContact CG2-CD1 4.16Å; V428-F494 HydrophobicContact CG1-CE2 4.16Å; V428-F494 HydrophobicContact CG2-CE2 3.8Å; V428-F494 HydrophobicContact CG2-CZ 4.14Å
429R74.6Confident72.1Confident153 Ų15382.3 Ų82.358%0.57744%0.44SS*.EExtended strand (participates in β ladder)trans-142.9157-174.4-62.4-17968.7176.32.2112.1E427 R431 A441E427-R429 PolarHBondContact O-N 2.8Å; R429-R431 HydrophobicContact CB-CG 4.47Å; R429-R431 PolarHBondContact O-N 2.92Å; R429-R431 VanDerWaalsContact O-N 3.17Å; R429-A441 PolarHBondContact N-O 3.39Å; R429-A441 PolarHBondContact O-N 3.33Å
430D75.9Confident71.8Confident102 Ų10286.8 Ų86.855%0.54546%0.464SS..EExtended strand (participates in β ladder)trans-68.4112.3170.6-68.60000109.5T437 I438 A439 N440D430-T437 HydrophobicContact CB-CG2 3.92Å; D430-I438 WeakPolarHBondContact CA-O 3.46Å; D430-A439 WeakPolarHBondContact OD1-CA 3.43Å; D430-N440 PolarHBondContact OD1-N 3.09Å
431R75.5Confident72Confident44 Ų4485 Ų8517%0.16645%0.449CS..EExtended strand (participates in β ladder)trans-118.8123.7-175.7-68.5178.8171.3162.4-13.3109.3E427 R429 I438 A441 I443 D446 Y491E427-R431 VanDerWaalsContact CB-NH2 3.35Å; E427-R431 IonicContact OE2-CZ 2.76Å; E427-R431 IonicContact OE2-NH2 3.12Å; E427-R431 PolarHBondContact OE2-NH2 3.13Å; R429-R431 HydrophobicContact CB-CG 4.47Å; R429-R431 PolarHBondContact O-N 2.92Å; R429-R431 VanDerWaalsContact O-N 3.17Å; R431-I438 PolarHBondContact N-O 3.03Å; R431-I438 WeakPolarHBondContact O-CB 3.44Å; R431-I438 PolarHBondContact O-N 3.49Å; R431-A441 HydrophobicContact CB-CB 4.25Å; R431-A441 PolarHBondContact NH1-O 2.83Å; R431-I443 VanDerWaalsContact NH1-N 3.17Å; R431-D446 IonicContact CZ-OD2 2.8Å; R431-D446 IonicContact NH1-OD2 2.7Å; R431-D446 IonicContact NH2-OD2 3.6Å; R431-D446 PolarHBondContact NH2-OD2 3.45Å; R431-D446 VanDerWaalsContact NH2-OD2 3.13Å; R431-Y491 VanDerWaalsContact CD-CE1 3.48Å
432M66.3Low72.5Confident136 Ų13682.7 Ų82.767%0.6743%0.434SS*.EExtended strand (participates in β ladder)trans-91.3121.8-174.3179.8151.848.100111.5I436M432-I436 CarbonylContact C-O 3.44Å; M432-I436 WeakPolarHBondContact CA-O 3.45Å
433W62.4Low73.6Confident120 Ų12077.1 Ų77.146%0.45540%0.396SS..EExtended strand (participates in β ladder)trans-123.7126.9-178.5178.2-72.2000108.9K435 I436 I438 Y491W433-K435 PolarHBondContact O-N 2.88Å; W433-K435 VanDerWaalsContact O-N 3.14Å; W433-I436 PolarHBondContact N-O 3.36Å; W433-I436 PolarHBondContact O-N 2.93Å; W433-I438 HydrophobicContact CB-CD1 3.9Å; W433-I438 HydrophobicContact CB-CG1 4.36Å; W433-I438 HydrophobicContact CG-CD1 4.48Å; W433-Y491 AromaticContact CE3-CD2 3.44Å; W433-Y491 HydrophobicContact CE3-CD2 3.44Å; W433-Y491 VanDerWaalsContact CE3-CD2 3.44Å; W433-Y491 AromaticContact CE3-CE2 3.49Å; W433-Y491 HydrophobicContact CE3-CE2 3.49Å; W433-Y491 VanDerWaalsContact CE3-CE2 3.49Å; W433-Y491 AromaticContact CZ3-CD2 3.57Å; W433-Y491 HydrophobicContact CZ3-CD2 3.57Å; W433-Y491 AromaticContact CZ3-CE2 3.6Å; W433-Y491 HydrophobicContact CZ3-CE2 3.6Å
434L59Low74.6Confident134 Ų13470.7 Ų70.770%0.70237%0.366SS*.THydrogen-bonded Turntrans45.644.6-177.8-63.2172.8000113.3I436L434-I436 PolarHBondContact O-N 2.79Å
435K52.2Low75.2Confident178 Ų17871 Ų7177%0.77437%0.368SS*.THydrogen-bonded Turntrans67.15.6-178.7-159-173.3170.6-163.90115.4W433W433-K435 PolarHBondContact O-N 2.88Å; W433-K435 VanDerWaalsContact O-N 3.14Å
436I64.4Low76.2Confident109 Ų10969.7 Ų69.756%0.55935%0.345SS*.EExtended strand (participates in β ladder)trans-99.9128.3171.4-57.3174.1000108.8M432 W433 L434 I438M432-I436 CarbonylContact C-O 3.44Å; M432-I436 WeakPolarHBondContact CA-O 3.45Å; W433-I436 PolarHBondContact N-O 3.36Å; W433-I436 PolarHBondContact O-N 2.93Å; L434-I436 PolarHBondContact O-N 2.79Å; I436-I438 PolarHBondContact O-N 2.82Å
437T72.3Confident76.6Confident62 Ų6268.9 Ų68.938%0.3834%0.341SS..EExtended strand (participates in β ladder)trans-80.2112.8173.3-550000109.9D430 A439D430-T437 HydrophobicContact CB-CG2 3.92Å; T437-A439 PolarHBondContact O-N 2.99Å
438I77.5Confident77.4Confident30 Ų3064.3 Ų64.315%0.15432%0.32CS..EExtended strand (participates in β ladder)trans-87.5106.3171.4-46.6-176.2000107.4D430 R431 W433 I436 A441 T480 V493D430-I438 WeakPolarHBondContact CA-O 3.46Å; R431-I438 PolarHBondContact N-O 3.03Å; R431-I438 WeakPolarHBondContact O-CB 3.44Å; R431-I438 PolarHBondContact O-N 3.49Å; W433-I438 HydrophobicContact CB-CD1 3.9Å; W433-I438 HydrophobicContact CB-CG1 4.36Å; W433-I438 HydrophobicContact CG-CD1 4.48Å; I436-I438 PolarHBondContact O-N 2.82Å; I438-A441 HydrophobicContact CB-CB 4.07Å; I438-A441 HydrophobicContact CG2-CB 3.82Å; I438-T480 HydrophobicContact CD1-CG2 3.89Å; I438-T480 HydrophobicContact CG2-CG2 3.73Å; I438-V493 HydrophobicContact CG2-CG2 3.92Å
439A72Confident77.6Confident54 Ų5464.9 Ų64.945%0.44632%0.321SS..EExtended strand (participates in β ladder)trans-71.1144.5-178.100000112.1D430 T437 A441D430-A439 WeakPolarHBondContact OD1-CA 3.43Å; T437-A439 PolarHBondContact O-N 2.99Å; A439-A441 VanDerWaalsContact C-N 3.26Å; A439-A441 PolarHBondContact O-N 3.5Å
440N76.9Confident78.3Confident94 Ų9458.2 Ų58.250%0.50330%0.296SS..EExtended strand (participates in β ladder)trans49.142.6179-64.4-41.4000114.2V428 D430V428-N440 HydrophobicContact CG1-CB 3.87Å; D430-N440 PolarHBondContact OD1-N 3.09Å
441A85.3Confident78.9Confident0 Ų053.4 Ų53.40%027%0.27CS..EExtended strand (participates in β ladder)trans-92.5131.1-176.900000112.6R429 R431 I438 A439 Y492R429-A441 PolarHBondContact N-O 3.39Å; R429-A441 PolarHBondContact O-N 3.33Å; R431-A441 HydrophobicContact CB-CB 4.25Å; R431-A441 PolarHBondContact NH1-O 2.83Å; I438-A441 HydrophobicContact CB-CB 4.07Å; I438-A441 HydrophobicContact CG2-CB 3.82Å; A439-A441 VanDerWaalsContact C-N 3.26Å; A439-A441 PolarHBondContact O-N 3.5Å; A441-Y492 WeakPolarHBondContact CA-O 3.3Å
442F88.3Confident79.5Confident0 Ų055.4 Ų55.40%028%0.28CS..EExtended strand (participates in β ladder)trans-113.7159.2169.247.7-93.1000109.7L426 V428 V447 I477 Y491 Y492 F494L426-F442 HydrophobicContact CD2-CB 4.39Å; L426-F442 HydrophobicContact CD2-CD1 4.42Å; L426-F442 HydrophobicContact CD2-CG 4.27Å; L426-F442 HydrophobicContact CG-CB 4.4Å; V428-F442 HydrophobicContact CG2-CD1 4.16Å; F442-V447 HydrophobicContact CD2-CG2 3.22Å; F442-V447 HydrophobicContact CE2-CG2 3.56Å; F442-V447 HydrophobicContact CG-CG2 4.16Å; F442-I477 HydrophobicContact CE2-CB 4.22Å; F442-I477 HydrophobicContact CE2-CG2 3.93Å; F442-I477 HydrophobicContact CZ-CB 4.06Å; F442-I477 HydrophobicContact CZ-CG2 3.65Å; F442-Y491 WeakPolarHBondContact O-CA 3.26Å; F442-Y492 HydrophobicContact CE2-CG 4.4Å; F442-Y492 PolarHBondContact N-O 3.29Å; F442-Y492 PolarHBondContact O-N 3.16Å; F442-F494 HydrophobicContact CD1-CD2 4.39Å; F442-F494 AromaticContact CD1-CE2 3.96Å; F442-F494 HydrophobicContact CD1-CE2 3.96Å; F442-F494 HydrophobicContact CD1-CZ 4.05Å; F442-F494 AromaticContact CE1-CD1 3.81Å; F442-F494 HydrophobicContact CE1-CD1 3.81Å; F442-F494 AromaticContact CE1-CD2 3.63Å; F442-F494 HydrophobicContact CE1-CD2 3.63Å; F442-F494 AromaticContact CE1-CE1 3.72Å; F442-F494 HydrophobicContact CE1-CE1 3.72Å; F442-F494 AromaticContact CE1-CE2 3.53Å; F442-F494 HydrophobicContact CE1-CE2 3.53Å; F442-F494 AromaticContact CE1-CG 3.75Å; F442-F494 HydrophobicContact CE1-CG 3.75Å; F442-F494 AromaticContact CE1-CZ 3.57Å; F442-F494 HydrophobicContact CE1-CZ 3.57Å; F442-F494 AromaticContact CZ-CD1 3.91Å; F442-F494 HydrophobicContact CZ-CD1 3.91Å; F442-F494 AromaticContact CZ-CE1 3.9Å; F442-F494 HydrophobicContact CZ-CE1 3.9Å; F442-F494 HydrophobicContact CZ-CE2 4.5Å; F442-F494 HydrophobicContact CZ-CG 4.21Å; F442-F494 HydrophobicContact CZ-CZ 4.2Å
443I89.7Confident80.3Confident26 Ų2655.3 Ų55.313%0.13328%0.278CS..EExtended strand (participates in β ladder)trans-102.2149.9177.7180168.6000109.2R431 S445 D446 V447 E488 C490 Y491R431-I443 VanDerWaalsContact NH1-N 3.17Å; I443-S445 VanDerWaalsContact CG2-OG 3.29Å; I443-S445 WeakPolarHBondContact CG2-OG 3.41Å; I443-S445 PolarHBondContact O-N 2.98Å; I443-D446 HydrophobicContact CG2-CB 4.11Å; I443-D446 WeakPolarHBondContact CG2-OD1 3.37Å; I443-D446 WeakPolarHBondContact CG2-OD2 3.25Å; I443-D446 PolarHBondContact O-N 3.46Å; I443-D446 VanDerWaalsContact O-N 3.13Å; I443-V447 PolarHBondContact O-N 3Å; I443-E488 WeakPolarHBondContact CG1-O 3.49Å; I443-C490 WeakPolarHBondContact CA-O 3.27Å; I443-Y491 HydrophobicContact CB-CD1 3.86Å; I443-Y491 HydrophobicContact CB-CE1 3.73Å; I443-Y491 HydrophobicContact CD1-CE1 4.33Å; I443-Y491 HydrophobicContact CG1-CE1 4.36Å
444G88.8Confident81.1Confident0 Ų053.9 Ų53.90%028%0.276CS..Hα-helixtrans-62.5-22.8-175.700000114.4V448 E488 C490G444-V448 WeakPolarHBondContact O-CG2 3.48Å; G444-V448 PolarHBondContact O-N 2.83Å; G444-E488 CarbonylContact C-O 3.53Å; G444-E488 WeakPolarHBondContact CA-O 3.41Å; G444-E488 PolarHBondContact N-O 2.87Å; G444-C490 PolarHBondContact N-O 3.05Å
445S90.2Very high82.2Confident25 Ų2547.7 Ų47.718%0.17524%0.244CC..Hα-helixtrans-60.3-56.7168.747.40000111.1I443 V447 V448 D449 E488I443-S445 VanDerWaalsContact CG2-OG 3.29Å; I443-S445 WeakPolarHBondContact CG2-OG 3.41Å; I443-S445 PolarHBondContact O-N 2.98Å; S445-V447 PolarHBondContact O-N 3.28Å; S445-V448 WeakPolarHBondContact O-CA 3.43Å; S445-V448 PolarHBondContact O-N 2.93Å; S445-D449 PolarHBondContact O-N 2.89Å; S445-E488 PolarHBondContact N-O 3.27Å
446D89.6Confident83.3Confident39 Ų3946 Ų4621%0.20924%0.239CC..Hα-helixtrans-60.3-34.3-173.1-52.10.8000110.7L426 R431 I443 W450L426-D446 HydrophobicContact CD1-CB 3.76Å; L426-D446 WeakPolarHBondContact CD1-O 3.43Å; R431-D446 IonicContact CZ-OD2 2.8Å; R431-D446 IonicContact NH1-OD2 2.7Å; R431-D446 IonicContact NH2-OD2 3.6Å; R431-D446 PolarHBondContact NH2-OD2 3.45Å; R431-D446 VanDerWaalsContact NH2-OD2 3.13Å; I443-D446 HydrophobicContact CG2-CB 4.11Å; I443-D446 WeakPolarHBondContact CG2-OD1 3.37Å; I443-D446 WeakPolarHBondContact CG2-OD2 3.25Å; I443-D446 PolarHBondContact O-N 3.46Å; I443-D446 VanDerWaalsContact O-N 3.13Å; D446-W450 WeakPolarHBondContact O-CB 3.2Å; D446-W450 PolarHBondContact O-N 2.91Å
447V90.1Very high83.9Confident0 Ų043.6 Ų43.60%024%0.241CC..Hα-helixtrans-66-42.2173.2175.30000112.2M419 L426 F442 I443 S445 W450 L451 A468M419-V447 HydrophobicContact SD-CG1 4.05Å; L426-V447 HydrophobicContact CD1-CG2 4.28Å; L426-V447 HydrophobicContact CD2-CG2 4.49Å; F442-V447 HydrophobicContact CD2-CG2 3.22Å; F442-V447 HydrophobicContact CE2-CG2 3.56Å; F442-V447 HydrophobicContact CG-CG2 4.16Å; I443-V447 PolarHBondContact O-N 3Å; S445-V447 PolarHBondContact O-N 3.28Å; V447-W450 PolarHBondContact O-N 3.41Å; V447-L451 HydrophobicContact CG1-CD1 3.83Å; V447-L451 HydrophobicContact CG1-CG 4.38Å; V447-L451 VanDerWaalsContact O-CB 3.28Å; V447-L451 WeakPolarHBondContact O-CB 3.4Å; V447-L451 WeakPolarHBondContact O-CD1 3.45Å; V447-L451 WeakPolarHBondContact O-CG 3.37Å; V447-L451 PolarHBondContact O-N 2.58Å; V447-A468 HydrophobicContact CG1-CB 4.04Å
448V90.6Very high84.4Confident0 Ų041.8 Ų41.80%023%0.228CC..Hα-helixtrans-72.6-36179.1173.30000111.3G444 S445 F452 R461 A464 R465 A468 F486 E488G444-V448 WeakPolarHBondContact O-CG2 3.48Å; G444-V448 PolarHBondContact O-N 2.83Å; S445-V448 WeakPolarHBondContact O-CA 3.43Å; S445-V448 PolarHBondContact O-N 2.93Å; V448-F452 VanDerWaalsContact O-CB 3.26Å; V448-F452 WeakPolarHBondContact O-CB 3.36Å; V448-F452 PolarHBondContact O-N 3.13Å; V448-F452 VanDerWaalsContact O-N 3.07Å; V448-R461 HydrophobicContact CG1-CG 3.7Å; V448-A464 HydrophobicContact CG1-CB 4.07Å; V448-R465 HydrophobicContact CG1-CB 4.22Å; V448-R465 HydrophobicContact CG2-CB 4.15Å; V448-A468 HydrophobicContact CG2-CB 3.91Å; V448-F486 HydrophobicContact CG2-CE1 3.8Å; V448-F486 HydrophobicContact CG2-CZ 3.91Å; V448-E488 HydrophobicContact CG2-CG 4.15Å
449D88.3Confident84.6Confident56 Ų5644.9 Ų44.930%0.29925%0.253SS..Hα-helixtrans-62.8-50169.3-80.3-69.5000111.3S445 L451 F452 H453 R461S445-D449 PolarHBondContact O-N 2.89Å; D449-L451 PolarHBondContact O-N 3.37Å; D449-F452 PolarHBondContact O-N 2.84Å; D449-H453 PolarHBondContact O-N 3.02Å; D449-H453 VanDerWaalsContact O-N 3.14Å; D449-H453 PolarHBondContact O-ND1 2.84Å; D449-R461 IonicContact OD1-CZ 3.61Å; D449-R461 IonicContact OD1-NH1 2.68Å; D449-R461 PolarHBondContact OD1-NH1 3.45Å; D449-R461 IonicContact OD1-NH2 3.66Å; D449-R461 IonicContact OD2-CZ 3.42Å; D449-R461 IonicContact OD2-NH1 3.28Å; D449-R461 PolarHBondContact OD2-NH1 3.05Å; D449-R461 IonicContact OD2-NH2 2.69Å; D449-R461 PolarHBondContact OD2-NH2 3.31Å
450W88.9Confident85.2Confident14 Ų1446.9 Ų46.95%0.05326%0.256CS..Hα-helixtrans-59.3-48.7179.7-172.193.6000111.6L406 V415 A418 M419 S424 L426 D446 V447 F452 H453 H454 V455L406-W450 HydrophobicContact CD1-CH2 3.61Å; L406-W450 HydrophobicContact CD1-CZ3 4.11Å; V415-W450 HydrophobicContact CG1-CZ3 4.11Å; A418-W450 HydrophobicContact CB-CH2 3.9Å; A418-W450 HydrophobicContact CB-CZ2 4.33Å; M419-W450 HydrophobicContact CG-CD2 3.74Å; M419-W450 HydrophobicContact CG-CE3 3.3Å; M419-W450 HydrophobicContact CG-CH2 3.73Å; M419-W450 HydrophobicContact CG-CZ2 4.12Å; M419-W450 HydrophobicContact CG-CZ3 3.31Å; M419-W450 HydrophobicContact SD-CE3 3.94Å; M419-W450 HydrophobicContact SD-CZ3 4.26Å; S424-W450 PolarHBondContact O-NE1 2.95Å; L426-W450 HydrophobicContact CB-CG 4.27Å; L426-W450 HydrophobicContact CD1-CB 4.06Å; L426-W450 HydrophobicContact CD1-CG 4.48Å; D446-W450 WeakPolarHBondContact O-CB 3.2Å; D446-W450 PolarHBondContact O-N 2.91Å; V447-W450 PolarHBondContact O-N 3.41Å; W450-F452 VanDerWaalsContact C-N 3.29Å; W450-F452 PolarHBondContact O-N 3.32Å; W450-H453 PolarHBondContact O-N 3.03Å; W450-H454 AromaticContact CD1-CE1 3.53Å; W450-H454 AromaticContact CD1-ND1 3.39Å; W450-H454 HydrophobicContact CD2-CB 4.1Å; W450-H454 AromaticContact CD2-ND1 3.71Å; W450-H454 AromaticContact CE2-CG 3.73Å; W450-H454 AromaticContact CE2-ND1 3.64Å; W450-H454 HydrophobicContact CE3-CB 4.19Å; W450-H454 AromaticContact CG-ND1 3.58Å; W450-H454 HydrophobicContact CH2-CB 3.95Å; W450-H454 HydrophobicContact CZ2-CB 3.84Å; W450-H454 HydrophobicContact CZ3-CB 4.11Å; W450-H454 AromaticContact NE1-CE1 3.58Å; W450-H454 AromaticContact NE1-CG 3.79Å; W450-H454 AromaticContact NE1-ND1 3.4Å; W450-H454 PolarHBondContact NE1-ND1 2.89Å; W450-H454 WeakPolarHBondContact O-CB 3.26Å; W450-H454 PolarHBondContact O-N 2.61Å; W450-H454 PolarHBondContact O-ND1 2.96Å; W450-V455 HydrophobicContact CZ3-CG2 4.12Å
451L89Confident85.7Confident0 Ų046.1 Ų46.10%025%0.246CC..Hα-helixtrans-60.3-37.1177.3-74.9169.3000112.3V415 M419 V447 D449 H453 V455 F458 A464 Y467 A468 L471V415-L451 HydrophobicContact CG1-CD2 3.54Å; M419-L451 HydrophobicContact SD-CD2 4.38Å; M419-L451 HydrophobicContact SD-CG 4.44Å; V447-L451 HydrophobicContact CG1-CD1 3.83Å; V447-L451 HydrophobicContact CG1-CG 4.38Å; V447-L451 VanDerWaalsContact O-CB 3.28Å; V447-L451 WeakPolarHBondContact O-CB 3.4Å; V447-L451 WeakPolarHBondContact O-CD1 3.45Å; V447-L451 WeakPolarHBondContact O-CG 3.37Å; V447-L451 PolarHBondContact O-N 2.58Å; D449-L451 PolarHBondContact O-N 3.37Å; L451-H453 VanDerWaalsContact C-N 3.35Å; L451-V455 HydrophobicContact CD2-CG2 3.86Å; L451-V455 WeakPolarHBondContact O-CB 3.47Å; L451-V455 PolarHBondContact O-N 2.84Å; L451-F458 HydrophobicContact CB-CE2 4.01Å; L451-F458 WeakPolarHBondContact O-CD2 3.12Å; L451-F458 WeakPolarHBondContact O-CE2 3.18Å; L451-A464 HydrophobicContact CB-CB 4.14Å; L451-Y467 HydrophobicContact CD1-CD1 4.09Å; L451-Y467 HydrophobicContact CD2-CD1 3.98Å; L451-Y467 HydrophobicContact CD2-CE1 4.18Å; L451-A468 HydrophobicContact CD1-CB 3.88Å; L451-L471 HydrophobicContact CD1-CD1 4.06Å; L451-L471 HydrophobicContact CD2-CD1 4.39Å
452F86.8Confident85.8Confident86 Ų8654.8 Ų54.838%0.37728%0.279SS..Hα-helixtrans-71.7-27.1179.8-176.6-104.7000113.4V448 D449 W450 F458 A464V448-F452 VanDerWaalsContact O-CB 3.26Å; V448-F452 WeakPolarHBondContact O-CB 3.36Å; V448-F452 PolarHBondContact O-N 3.13Å; V448-F452 VanDerWaalsContact O-N 3.07Å; D449-F452 PolarHBondContact O-N 2.84Å; W450-F452 VanDerWaalsContact C-N 3.29Å; W450-F452 PolarHBondContact O-N 3.32Å; F452-F458 HydrophobicContact CD2-CB 4.39Å; F452-A464 HydrophobicContact CB-CB 4.13Å
453H83.4Confident85.7Confident134 Ų13458 Ų5862%0.6229%0.294SS*.Hα-helixtrans-96.4-28179.6-64.292.3000114.1D449 W450 L451D449-H453 PolarHBondContact O-N 3.02Å; D449-H453 VanDerWaalsContact O-N 3.14Å; D449-H453 PolarHBondContact O-ND1 2.84Å; W450-H453 PolarHBondContact O-N 3.03Å; L451-H453 VanDerWaalsContact C-N 3.35Å
454H80.6Confident85.7Confident90 Ų9056.8 Ų56.842%0.41729%0.287SS..Hα-helixtrans-111.41.3-173.1-55.889.5000114.6W450W450-H454 AromaticContact CD1-CE1 3.53Å; W450-H454 AromaticContact CD1-ND1 3.39Å; W450-H454 HydrophobicContact CD2-CB 4.1Å; W450-H454 AromaticContact CD2-ND1 3.71Å; W450-H454 AromaticContact CE2-CG 3.73Å; W450-H454 AromaticContact CE2-ND1 3.64Å; W450-H454 HydrophobicContact CE3-CB 4.19Å; W450-H454 AromaticContact CG-ND1 3.58Å; W450-H454 HydrophobicContact CH2-CB 3.95Å; W450-H454 HydrophobicContact CZ2-CB 3.84Å; W450-H454 HydrophobicContact CZ3-CB 4.11Å; W450-H454 AromaticContact NE1-CE1 3.58Å; W450-H454 AromaticContact NE1-CG 3.79Å; W450-H454 AromaticContact NE1-ND1 3.4Å; W450-H454 PolarHBondContact NE1-ND1 2.89Å; W450-H454 WeakPolarHBondContact O-CB 3.26Å; W450-H454 PolarHBondContact O-N 2.61Å; W450-H454 PolarHBondContact O-ND1 2.96Å
455V82.3Confident85.9Confident5 Ų561.7 Ų61.73%0.0331%0.306CS..EExtended strand (participates in β ladder)trans-126.8112176.2-173.90000110.2L406 S407 V415 W450 L451 F458L406-V455 HydrophobicContact CB-CB 4.33Å; L406-V455 HydrophobicContact CB-CG1 4.21Å; L406-V455 HydrophobicContact CB-CG2 3.95Å; L406-V455 HydrophobicContact CD1-CG2 4.11Å; L406-V455 CarbonylContact O-C 3.56Å; L406-V455 WeakPolarHBondContact O-CA 3.46Å; S407-V455 VanDerWaalsContact C-CG1 3.41Å; V415-V455 HydrophobicContact CG1-CG2 4.12Å; W450-V455 HydrophobicContact CZ3-CG2 4.12Å; L451-V455 HydrophobicContact CD2-CG2 3.86Å; L451-V455 WeakPolarHBondContact O-CB 3.47Å; L451-V455 PolarHBondContact O-N 2.84Å; V455-F458 HydrophobicContact CB-CD2 4.17Å; V455-F458 HydrophobicContact CB-CE2 3.72Å; V455-F458 HydrophobicContact CG1-CD2 4.47Å; V455-F458 HydrophobicContact CG1-CE2 3.89Å; V455-F458 HydrophobicContact CG1-CZ 4.38Å; V455-F458 HydrophobicContact CG2-CE2 4.43Å
456E74.3Confident85.9Confident141 Ų14167.5 Ų67.566%0.65933%0.328SS*.EExtended strand (participates in β ladder)trans-70.3139.8-178.1-65.1-163.8142.400112.6L406 S407 I408L406-E456 PolarHBondContact O-N 2.88Å; S407-E456 WeakPolarHBondContact CA-O 3.36Å; I408-E456 PolarHBondContact N-O 2.71Å; I408-E456 VanDerWaalsContact N-O 3.11Å
457G76.5Confident85.8Confident59 Ų5966.7 Ų66.761%0.60832%0.322SS*.THydrogen-bonded Turntrans108.1-9.1173.100000115.6I408 S459I408-G457 VanDerWaalsContact CD1-O 3.28Å; I408-G457 WeakPolarHBondContact CD1-O 3.39Å; G457-S459 PolarHBondContact O-N 2.69Å
458F84Confident85.9Confident24 Ų2466.7 Ų66.711%0.10532%0.322CS..  trans-66.2114.9171.7-70.6-52.3000110.5I408 L451 F452 V455 D460 E463 A464 Y467I408-F458 HydrophobicContact CD1-CD1 3.58Å; I408-F458 HydrophobicContact CD1-CE1 3.88Å; I408-F458 HydrophobicContact CD1-CG 4.27Å; I408-F458 HydrophobicContact CG1-CD1 3.87Å; I408-F458 HydrophobicContact CG1-CE1 3.78Å; I408-F458 HydrophobicContact CG1-CG 4.39Å; I408-F458 HydrophobicContact CG1-CZ 4.26Å; L451-F458 HydrophobicContact CB-CE2 4.01Å; L451-F458 WeakPolarHBondContact O-CD2 3.12Å; L451-F458 WeakPolarHBondContact O-CE2 3.18Å; F452-F458 HydrophobicContact CD2-CB 4.39Å; V455-F458 HydrophobicContact CB-CD2 4.17Å; V455-F458 HydrophobicContact CB-CE2 3.72Å; V455-F458 HydrophobicContact CG1-CD2 4.47Å; V455-F458 HydrophobicContact CG1-CE2 3.89Å; V455-F458 HydrophobicContact CG1-CZ 4.38Å; V455-F458 HydrophobicContact CG2-CE2 4.43Å; F458-D460 VanDerWaalsContact C-N 3.25Å; F458-D460 PolarHBondContact O-N 3.28Å; F458-E463 HydrophobicContact CD1-CB 3.72Å; F458-E463 HydrophobicContact CE1-CB 4.43Å; F458-A464 HydrophobicContact CD2-CB 3.95Å; F458-A464 HydrophobicContact CE2-CB 4.12Å; F458-A464 HydrophobicContact CG-CB 4.16Å; F458-Y467 HydrophobicContact CE1-CD2 4.05Å; F458-Y467 HydrophobicContact CE1-CG 4.1Å; F458-Y467 VanDerWaalsContact CZ-CB 3.49Å; F458-Y467 HydrophobicContact CZ-CD1 4.24Å; F458-Y467 AromaticContact CZ-CD2 3.77Å; F458-Y467 HydrophobicContact CZ-CD2 3.77Å; F458-Y467 AromaticContact CZ-CG 3.59Å; F458-Y467 HydrophobicContact CZ-CG 3.59Å
459S80Confident85.8Confident96 Ų9668.4 Ų68.467%0.67133%0.334SS*.SBendtrans-72.8-22.5179.6660000113G457 E463G457-S459 PolarHBondContact O-N 2.69Å; S459-E463 WeakPolarHBondContact CB-OE2 3.4Å; S459-E463 PolarHBondContact N-OE2 2.68Å; S459-E463 VanDerWaalsContact N-OE2 3.09Å; S459-E463 VanDerWaalsContact OG-CD 3.32Å; S459-E463 PolarHBondContact OG-OE2 3.45Å
460D85.6Confident85.9Confident95 Ų9569.3 Ų69.351%0.50834%0.339SS..SBendtrans-153.2147.1-170.5-127.8-23.6000110F458 R462 E463 A464F458-D460 VanDerWaalsContact C-N 3.25Å; F458-D460 PolarHBondContact O-N 3.28Å; D460-R462 HydrophobicContact CB-CB 4.33Å; D460-R462 PolarHBondContact O-N 2.9Å; D460-E463 HydrophobicContact CB-CG 4.3Å; D460-E463 WeakPolarHBondContact O-CB 3.33Å; D460-E463 PolarHBondContact O-N 2.76Å; D460-A464 PolarHBondContact O-N 3.14Å
461R87.6Confident85.9Confident78 Ų7868.7 Ų68.729%0.29434%0.337SS..Hα-helixtrans-54.2-28.4171.6-172.6-169.317991.81.5112.2V448 D449 E463 A464 R465V448-R461 HydrophobicContact CG1-CG 3.7Å; D449-R461 IonicContact OD1-CZ 3.61Å; D449-R461 IonicContact OD1-NH1 2.68Å; D449-R461 PolarHBondContact OD1-NH1 3.45Å; D449-R461 IonicContact OD1-NH2 3.66Å; D449-R461 IonicContact OD2-CZ 3.42Å; D449-R461 IonicContact OD2-NH1 3.28Å; D449-R461 PolarHBondContact OD2-NH1 3.05Å; D449-R461 IonicContact OD2-NH2 2.69Å; D449-R461 PolarHBondContact OD2-NH2 3.31Å; R461-E463 PolarHBondContact O-N 3.22Å; R461-A464 PolarHBondContact O-N 3.19Å; R461-R465 PolarHBondContact O-N 3.36Å
462R86.5Confident85.9Confident183 Ų18369.7 Ų69.769%0.69134%0.342SS*.Hα-helixtrans-62.4-29.1175.5-171.5176.9-65.7-94.1-0.3112.7D460 K466D460-R462 HydrophobicContact CB-CB 4.33Å; D460-R462 PolarHBondContact O-N 2.9Å; R462-K466 PolarHBondContact O-N 3.01Å; R462-K466 VanDerWaalsContact O-N 3.16Å
463E87.9Confident85.8Confident68 Ų6873.7 Ų73.732%0.31836%0.359SS..Hα-helixtrans-79.5-41.2175.6-58-155.611000112F458 S459 D460 R461 R465 K466 Y467F458-E463 HydrophobicContact CD1-CB 3.72Å; F458-E463 HydrophobicContact CE1-CB 4.43Å; S459-E463 WeakPolarHBondContact CB-OE2 3.4Å; S459-E463 PolarHBondContact N-OE2 2.68Å; S459-E463 VanDerWaalsContact N-OE2 3.09Å; S459-E463 VanDerWaalsContact OG-CD 3.32Å; S459-E463 PolarHBondContact OG-OE2 3.45Å; D460-E463 HydrophobicContact CB-CG 4.3Å; D460-E463 WeakPolarHBondContact O-CB 3.33Å; D460-E463 PolarHBondContact O-N 2.76Å; R461-E463 PolarHBondContact O-N 3.22Å; E463-R465 VanDerWaalsContact C-N 3.28Å; E463-R465 PolarHBondContact O-N 2.89Å; E463-K466 CarbonylContact O-C 3.46Å; E463-K466 WeakPolarHBondContact O-CA 3.28Å; E463-K466 WeakPolarHBondContact O-CB 3.45Å; E463-K466 PolarHBondContact O-N 3.16Å; E463-Y467 PolarHBondContact O-N 3.07Å
464A89.6Confident85.9Confident0 Ų069.6 Ų69.60%035%0.348CS..Hα-helixtrans-57.1-42.2170.300000111.4V448 L451 F452 F458 D460 R461 K466 Y467 A468V448-A464 HydrophobicContact CG1-CB 4.07Å; L451-A464 HydrophobicContact CB-CB 4.14Å; F452-A464 HydrophobicContact CB-CB 4.13Å; F458-A464 HydrophobicContact CD2-CB 3.95Å; F458-A464 HydrophobicContact CE2-CB 4.12Å; F458-A464 HydrophobicContact CG-CB 4.16Å; D460-A464 PolarHBondContact O-N 3.14Å; R461-A464 PolarHBondContact O-N 3.19Å; A464-K466 VanDerWaalsContact C-N 3.34Å; A464-K466 PolarHBondContact O-N 3.25Å; A464-Y467 PolarHBondContact O-N 3.5Å; A464-A468 PolarHBondContact O-N 2.87Å
465R91.1Very high86Confident102 Ų10267 Ų6739%0.38535%0.346SS..Hα-helixtrans-59.5-39.2170.8-175.4-173.5-67.5179.2-3.5113.1V448 R461 E463 S469 F486 E488V448-R465 HydrophobicContact CG1-CB 4.22Å; V448-R465 HydrophobicContact CG2-CB 4.15Å; R461-R465 PolarHBondContact O-N 3.36Å; E463-R465 VanDerWaalsContact C-N 3.28Å; E463-R465 PolarHBondContact O-N 2.89Å; R465-S469 WeakPolarHBondContact O-CB 3.16Å; R465-S469 PolarHBondContact O-N 3.19Å; R465-S469 PolarHBondContact O-OG 3.2Å; R465-F486 HydrophobicContact CG-CD1 4.28Å; R465-F486 HydrophobicContact CG-CE1 4.21Å; R465-E488 IonicContact CZ-OE1 3.21Å; R465-E488 IonicContact CZ-OE2 3.56Å; R465-E488 IonicContact NE-OE1 2.69Å; R465-E488 PolarHBondContact NE-OE1 3.36Å; R465-E488 IonicContact NE-OE2 3.76Å; R465-E488 IonicContact NH2-OE1 2.92Å; R465-E488 PolarHBondContact NH2-OE1 2.98Å; R465-E488 IonicContact NH2-OE2 2.73Å; R465-E488 PolarHBondContact NH2-OE2 3.35Å
466K90.5Very high86.2Confident147 Ų14768.3 Ų68.364%0.63935%0.35SS*.Hα-helixtrans-68.7-34.7176.1-176.4-174172-166.20111.4R462 E463 A464 S469 N470R462-K466 PolarHBondContact O-N 3.01Å; R462-K466 VanDerWaalsContact O-N 3.16Å; E463-K466 CarbonylContact O-C 3.46Å; E463-K466 WeakPolarHBondContact O-CA 3.28Å; E463-K466 WeakPolarHBondContact O-CB 3.45Å; E463-K466 PolarHBondContact O-N 3.16Å; A464-K466 VanDerWaalsContact C-N 3.34Å; A464-K466 PolarHBondContact O-N 3.25Å; K466-S469 WeakPolarHBondContact O-CB 3.39Å; K466-S469 PolarHBondContact O-N 3.18Å; K466-N470 PolarHBondContact O-N 3.27Å; K466-N470 VanDerWaalsContact O-N 3.12Å
467Y89.3Confident86.9Confident22 Ų2261.6 Ų61.69%0.08632%0.319CS..Hα-helixtrans-71.2-44.3174.5-165.4-82000112M412 V415 L451 F458 E463 A464 S469 N470 L471M412-Y467 WeakPolarHBondContact CG-OH 3.4Å; V415-Y467 HydrophobicContact CB-CE1 4.43Å; V415-Y467 HydrophobicContact CG1-CE1 4.04Å; V415-Y467 WeakPolarHBondContact CG2-OH 3.17Å; L451-Y467 HydrophobicContact CD1-CD1 4.09Å; L451-Y467 HydrophobicContact CD2-CD1 3.98Å; L451-Y467 HydrophobicContact CD2-CE1 4.18Å; F458-Y467 HydrophobicContact CE1-CD2 4.05Å; F458-Y467 HydrophobicContact CE1-CG 4.1Å; F458-Y467 VanDerWaalsContact CZ-CB 3.49Å; F458-Y467 HydrophobicContact CZ-CD1 4.24Å; F458-Y467 AromaticContact CZ-CD2 3.77Å; F458-Y467 HydrophobicContact CZ-CD2 3.77Å; F458-Y467 AromaticContact CZ-CG 3.59Å; F458-Y467 HydrophobicContact CZ-CG 3.59Å; E463-Y467 PolarHBondContact O-N 3.07Å; A464-Y467 PolarHBondContact O-N 3.5Å; Y467-S469 PolarHBondContact O-N 2.8Å; Y467-N470 CarbonylContact O-C 3.56Å; Y467-N470 WeakPolarHBondContact O-CA 3.47Å; Y467-N470 VanDerWaalsContact O-CB 3.3Å; Y467-N470 WeakPolarHBondContact O-CB 3.4Å; Y467-N470 PolarHBondContact O-N 3.23Å; Y467-L471 HydrophobicContact CD1-CD1 3.68Å; Y467-L471 HydrophobicContact CD1-CG 3.98Å; Y467-L471 HydrophobicContact CE1-CD1 3.75Å; Y467-L471 HydrophobicContact CE1-CD2 4.18Å; Y467-L471 HydrophobicContact CE1-CG 3.88Å; Y467-L471 PolarHBondContact O-N 2.93Å
468A90.4Very high87.4Confident0 Ų064.3 Ų64.30%031%0.311CS..Hα-helixtrans-57.8-38170.300000112.1V447 V448 L451 A464 N470 L471 L472 F486V447-A468 HydrophobicContact CG1-CB 4.04Å; V448-A468 HydrophobicContact CG2-CB 3.91Å; L451-A468 HydrophobicContact CD1-CB 3.88Å; A464-A468 PolarHBondContact O-N 2.87Å; A468-N470 PolarHBondContact O-N 3.33Å; A468-L471 PolarHBondContact O-N 3.3Å; A468-L472 PolarHBondContact O-N 2.95Å; A468-L472 VanDerWaalsContact O-N 3.12Å; A468-F486 HydrophobicContact CB-CD1 4.25Å; A468-F486 HydrophobicContact CB-CD2 4.3Å; A468-F486 HydrophobicContact CB-CE1 3.73Å; A468-F486 HydrophobicContact CB-CE2 3.79Å; A468-F486 HydrophobicContact CB-CZ 3.48Å; A468-F486 VanDerWaalsContact CB-CZ 3.48Å
469S89.6Confident87.5Confident36 Ų3664.2 Ų64.225%0.25231%0.311SS..Hα-helixtrans-64.6-25.6171.7-54.30000113.6R465 K466 Y467 K473 F486R465-S469 WeakPolarHBondContact O-CB 3.16Å; R465-S469 PolarHBondContact O-N 3.19Å; R465-S469 PolarHBondContact O-OG 3.2Å; K466-S469 WeakPolarHBondContact O-CB 3.39Å; K466-S469 PolarHBondContact O-N 3.18Å; Y467-S469 PolarHBondContact O-N 2.8Å; S469-K473 WeakPolarHBondContact O-CG 3.45Å; S469-F486 WeakPolarHBondContact OG-CB 3.38Å
470N89.7Confident87.5Confident76 Ų7662.2 Ų62.241%0.40630%0.295SS..Hα-helixtrans-83.1-39.4175.6-156.740.2000111.5M412 K466 Y467 A468 L472 K473 A474M412-N470 VanDerWaalsContact CE-C 3.49Å; M412-N470 HydrophobicContact CE-CB 4Å; M412-N470 WeakPolarHBondContact CE-ND2 3.23Å; M412-N470 WeakPolarHBondContact CE-O 3.26Å; M412-N470 PolarHBondContact SD-ND2 3.2Å; M412-N470 VanDerWaalsContact SD-ND2 3.36Å; K466-N470 PolarHBondContact O-N 3.27Å; K466-N470 VanDerWaalsContact O-N 3.12Å; Y467-N470 CarbonylContact O-C 3.56Å; Y467-N470 WeakPolarHBondContact O-CA 3.47Å; Y467-N470 VanDerWaalsContact O-CB 3.3Å; Y467-N470 WeakPolarHBondContact O-CB 3.4Å; Y467-N470 PolarHBondContact O-N 3.23Å; A468-N470 PolarHBondContact O-N 3.33Å; N470-L472 VanDerWaalsContact C-N 3.27Å; N470-L472 PolarHBondContact O-N 3.34Å; N470-K473 PolarHBondContact O-N 3.35Å; N470-K473 VanDerWaalsContact O-N 3.11Å; N470-A474 WeakPolarHBondContact O-CB 3.48Å; N470-A474 PolarHBondContact O-N 3.33Å
471L88.8Confident87Confident0 Ų062.8 Ų62.80%030%0.302CS..Hα-helixtrans-57.4-39172.9-74.3164.4000112.1M412 A416 M419 L451 Y467 A468 G475 Y476 I477M412-L471 HydrophobicContact CB-CD2 4.07Å; M412-L471 HydrophobicContact CE-CD2 4.07Å; M412-L471 HydrophobicContact CE-CG 4.26Å; A416-L471 HydrophobicContact CB-CD2 4.45Å; M419-L471 HydrophobicContact CE-CD1 3.77Å; L451-L471 HydrophobicContact CD1-CD1 4.06Å; L451-L471 HydrophobicContact CD2-CD1 4.39Å; Y467-L471 HydrophobicContact CD1-CD1 3.68Å; Y467-L471 HydrophobicContact CD1-CG 3.98Å; Y467-L471 HydrophobicContact CE1-CD1 3.75Å; Y467-L471 HydrophobicContact CE1-CD2 4.18Å; Y467-L471 HydrophobicContact CE1-CG 3.88Å; Y467-L471 PolarHBondContact O-N 2.93Å; A468-L471 PolarHBondContact O-N 3.3Å; L471-G475 PolarHBondContact O-N 2.91Å; L471-Y476 HydrophobicContact CD2-CD2 3.98Å; L471-Y476 HydrophobicContact CD2-CG 4.22Å; L471-Y476 PolarHBondContact O-N 3.03Å; L471-I477 HydrophobicContact CB-CD1 4.22Å; L471-I477 HydrophobicContact CB-CG1 4.16Å; L471-I477 PolarHBondContact O-N 3.12Å
472L89.3Confident86.4Confident22 Ų2266.2 Ų66.212%0.11533%0.326CS..Hα-helixtrans-64.6-44.3173.1179.263000112.2A468 N470 A474 G475 I477 H479 F486 Y492A468-L472 PolarHBondContact O-N 2.95Å; A468-L472 VanDerWaalsContact O-N 3.12Å; N470-L472 VanDerWaalsContact C-N 3.27Å; N470-L472 PolarHBondContact O-N 3.34Å; L472-A474 VanDerWaalsContact C-N 3.34Å; L472-A474 PolarHBondContact O-N 3.31Å; L472-G475 PolarHBondContact O-N 3.12Å; L472-I477 HydrophobicContact CB-CD1 4.38Å; L472-I477 HydrophobicContact CB-CG1 4.04Å; L472-I477 HydrophobicContact CD1-CG1 4.45Å; L472-I477 WeakPolarHBondContact CD1-O 3.47Å; L472-H479 HydrophobicContact CD1-CB 4.39Å; L472-F486 HydrophobicContact CD2-CB 3.82Å; L472-F486 HydrophobicContact CD2-CD2 4.37Å; L472-Y492 HydrophobicContact CD1-CD1 4.21Å; L472-Y492 HydrophobicContact CD1-CE1 3.94Å; L472-Y492 HydrophobicContact CD2-CE1 4.04Å
473K85.9Confident86Confident169 Ų16961 Ų6174%0.73531%0.308SS*.Hα-helixtrans-67.7-33.1179-74.4177.3177.5-172.90113.3S469 N470 G475S469-K473 WeakPolarHBondContact O-CG 3.45Å; N470-K473 PolarHBondContact O-N 3.35Å; N470-K473 VanDerWaalsContact O-N 3.11Å; K473-G475 VanDerWaalsContact C-N 3.28Å
474A84.1Confident85.5Confident48 Ų4864.8 Ų64.840%0.39733%0.329SS..THydrogen-bonded Turntrans-85.22.4176.600000113.3M412 N470 L472 Y476M412-A474 HydrophobicContact CE-CB 3.64Å; N470-A474 WeakPolarHBondContact O-CB 3.48Å; N470-A474 PolarHBondContact O-N 3.33Å; L472-A474 VanDerWaalsContact C-N 3.34Å; L472-A474 PolarHBondContact O-N 3.31Å; A474-Y476 VanDerWaalsContact C-N 3.29Å; A474-Y476 HydrophobicContact CB-CD2 3.64Å; A474-Y476 HydrophobicContact CB-CE2 3.64Å; A474-Y476 PolarHBondContact O-N 3.37Å
475G83.9Confident85.3Confident35 Ų3568.9 Ų68.936%0.36135%0.354SS..THydrogen-bonded Turntrans771.6174.600000116L471 L472 K473 I477 G495L471-G475 PolarHBondContact O-N 2.91Å; L472-G475 PolarHBondContact O-N 3.12Å; K473-G475 VanDerWaalsContact C-N 3.28Å; G475-I477 VanDerWaalsContact C-N 3.25Å; G475-I477 PolarHBondContact O-N 3.5Å; G475-G495 WeakPolarHBondContact O-CA 3.42Å
476Y85.6Confident85.2Confident33 Ų3365.5 Ų65.513%0.12934%0.342CS..SBendtrans-67.5-26178-65.6-67.8000113.1M412 T413 A416 L471 A474 G495 L497 N500M412-Y476 HydrophobicContact CB-CD2 3.9Å; M412-Y476 HydrophobicContact CB-CE2 3.58Å; M412-Y476 HydrophobicContact CE-CD2 4.14Å; M412-Y476 HydrophobicContact CE-CE2 4.27Å; T413-Y476 HydrophobicContact CG2-CE1 4.21Å; T413-Y476 PolarHBondContact OG1-OH 3.14Å; A416-Y476 HydrophobicContact CB-CD1 4.12Å; A416-Y476 HydrophobicContact CB-CG 4.15Å; L471-Y476 HydrophobicContact CD2-CD2 3.98Å; L471-Y476 HydrophobicContact CD2-CG 4.22Å; L471-Y476 PolarHBondContact O-N 3.03Å; A474-Y476 VanDerWaalsContact C-N 3.29Å; A474-Y476 HydrophobicContact CB-CD2 3.64Å; A474-Y476 HydrophobicContact CB-CE2 3.64Å; A474-Y476 PolarHBondContact O-N 3.37Å; Y476-G495 PolarHBondContact O-N 2.97Å; Y476-L497 HydrophobicContact CD1-CD2 4.25Å; Y476-N500 PolarHBondContact OH-ND2 2.88Å
477I89.6Confident85.2Confident0 Ų059.9 Ų59.90%032%0.321CS..EExtended strand (participates in β ladder)trans-127.5144166.667.6178.1000108.6F442 L471 L472 G475 F486 Y492 V493 F494F442-I477 HydrophobicContact CE2-CB 4.22Å; F442-I477 HydrophobicContact CE2-CG2 3.93Å; F442-I477 HydrophobicContact CZ-CB 4.06Å; F442-I477 HydrophobicContact CZ-CG2 3.65Å; L471-I477 HydrophobicContact CB-CD1 4.22Å; L471-I477 HydrophobicContact CB-CG1 4.16Å; L471-I477 PolarHBondContact O-N 3.12Å; L472-I477 HydrophobicContact CB-CD1 4.38Å; L472-I477 HydrophobicContact CB-CG1 4.04Å; L472-I477 HydrophobicContact CD1-CG1 4.45Å; L472-I477 WeakPolarHBondContact CD1-O 3.47Å; G475-I477 VanDerWaalsContact C-N 3.25Å; G475-I477 PolarHBondContact O-N 3.5Å; I477-F486 HydrophobicContact CD1-CD2 4.36Å; I477-F486 HydrophobicContact CD1-CE2 4.12Å; I477-Y492 HydrophobicContact CD1-CD1 4.3Å; I477-Y492 HydrophobicContact CD1-CG 4.5Å; I477-Y492 HydrophobicContact CG1-CD1 4.45Å; I477-V493 CarbonylContact C-O 3.59Å; I477-V493 WeakPolarHBondContact CA-O 3.39Å; I477-F494 HydrophobicContact CG2-CD1 4.28Å
478R86.4Confident85.3Confident116 Ų11660.1 Ų60.144%0.43832%0.323SS..EExtended strand (participates in β ladder)trans-119.8138.2178.4-52.7-167.1-48.5-114.9-8110.2Y492 V493 D496R478-Y492 VanDerWaalsContact O-CA 3.27Å; R478-Y492 WeakPolarHBondContact O-CA 3.31Å; R478-V493 PolarHBondContact N-O 2.84Å; R478-V493 PolarHBondContact O-N 3.18Å; R478-D496 IonicContact CZ-OD2 2.9Å; R478-D496 VanDerWaalsContact NH1-CG 3.26Å; R478-D496 IonicContact NH1-OD1 3.77Å; R478-D496 PolarHBondContact NH1-OD1 2.88Å; R478-D496 VanDerWaalsContact NH1-OD1 3.12Å; R478-D496 IonicContact NH1-OD2 3.78Å; R478-D496 PolarHBondContact NH1-OD2 3.24Å
479H86.3Confident85.1Confident23 Ų2367.2 Ų67.211%0.10636%0.356CS..EExtended strand (participates in β ladder)trans-75.9133.9172.6-175.4-87.8000110.2L472 V481 N482 K483 C490 Y492L472-H479 HydrophobicContact CD1-CB 4.39Å; H479-V481 VanDerWaalsContact C-N 3.31Å; H479-V481 VanDerWaalsContact ND1-C 3.28Å; H479-V481 WeakPolarHBondContact ND1-CA 3.36Å; H479-V481 PolarHBondContact ND1-N 3.21Å; H479-V481 PolarHBondContact O-N 3.36Å; H479-N482 PolarHBondContact ND1-N 2.71Å; H479-N482 PolarHBondContact O-N 2.68Å; H479-N482 VanDerWaalsContact O-N 3.09Å; H479-K483 HydrophobicContact CB-CB 4.18Å; H479-K483 VanDerWaalsContact CE1-CB 3.47Å; H479-K483 WeakPolarHBondContact CE1-CB 3.39Å; H479-K483 WeakPolarHBondContact ND1-CB 3.46Å; H479-K483 PolarHBondContact ND1-N 3.22Å; H479-C490 WeakPolarHBondContact NE2-CB 3.42Å; H479-Y492 HydrophobicContact CB-CD1 4.05Å; H479-Y492 HydrophobicContact CB-CE1 3.74Å; H479-Y492 AromaticContact CD2-CE1 3.74Å; H479-Y492 AromaticContact CD2-CZ 3.77Å
480T80.2Confident85Confident54 Ų5466.5 Ų66.533%0.33135%0.351SS..THydrogen-bonded Turntrans-60.3-38.3-174.4550000113.2I438 Y491 V493I438-T480 HydrophobicContact CD1-CG2 3.89Å; I438-T480 HydrophobicContact CG2-CG2 3.73Å; T480-Y491 PolarHBondContact N-O 3.42Å; T480-Y491 PolarHBondContact OG1-O 2.98Å; T480-V493 HydrophobicContact CG2-CG2 4.1Å
481V74.8Confident84.9Confident107 Ų10765.8 Ų65.865%0.64834%0.343SS*.THydrogen-bonded Turntrans-102.240.6175.7-155.60000111.9H479 K483H479-V481 VanDerWaalsContact C-N 3.31Å; H479-V481 VanDerWaalsContact ND1-C 3.28Å; H479-V481 WeakPolarHBondContact ND1-CA 3.36Å; H479-V481 PolarHBondContact ND1-N 3.21Å; H479-V481 PolarHBondContact O-N 3.36Å; V481-K483 VanDerWaalsContact C-N 3.34Å; V481-K483 PolarHBondContact O-N 3.44Å
482N74.9Confident85Confident150 Ų15065.8 Ų65.880%0.80234%0.343SS*.  trans44.841.4172.3-158.417.4000117.4H479H479-N482 PolarHBondContact ND1-N 2.71Å; H479-N482 PolarHBondContact O-N 2.68Å; H479-N482 VanDerWaalsContact O-N 3.09Å
483K77.9Confident85Confident74 Ų7466.4 Ų66.432%0.32235%0.347SS..  trans-90.6122.1-178.7-177.2-174172.8-179.20111H479 V481 T485 S487H479-K483 HydrophobicContact CB-CB 4.18Å; H479-K483 VanDerWaalsContact CE1-CB 3.47Å; H479-K483 WeakPolarHBondContact CE1-CB 3.39Å; H479-K483 WeakPolarHBondContact ND1-CB 3.46Å; H479-K483 PolarHBondContact ND1-N 3.22Å; V481-K483 VanDerWaalsContact C-N 3.34Å; V481-K483 PolarHBondContact O-N 3.44Å; K483-T485 VanDerWaalsContact C-N 3.27Å; K483-T485 WeakPolarHBondContact CD-O 3.46Å; K483-T485 VanDerWaalsContact CE-O 3.26Å; K483-T485 WeakPolarHBondContact CE-O 3.36Å; K483-T485 VanDerWaalsContact CE-OG1 3.28Å; K483-T485 WeakPolarHBondContact CE-OG1 3.33Å; K483-T485 PolarHBondContact O-N 3.23Å; K483-S487 VanDerWaalsContact NZ-CB 3.28Å; K483-S487 PolarHBondContact NZ-OG 3.23Å
484I77.4Confident85.1Confident147 Ų14759.8 Ų59.875%0.75432%0.319SS*.SBendtrans-73.1-11.4-179.563.2169.9000114.9
485T85.9Confident84.8Confident85 Ų8557.8 Ų57.852%0.52130%0.303SS..SBendtrans-107.4124.817946.30000111.6K483K483-T485 VanDerWaalsContact C-N 3.27Å; K483-T485 WeakPolarHBondContact CD-O 3.46Å; K483-T485 VanDerWaalsContact CE-O 3.26Å; K483-T485 WeakPolarHBondContact CE-O 3.36Å; K483-T485 VanDerWaalsContact CE-OG1 3.28Å; K483-T485 WeakPolarHBondContact CE-OG1 3.33Å; K483-T485 PolarHBondContact O-N 3.23Å
486F89.7Confident84.2Confident31 Ų3161.9 Ų61.914%0.13632%0.317CS..  trans-66.8146.5178-177-96.9000111.9V448 R465 A468 S469 L472 I477 E488 Y492V448-F486 HydrophobicContact CG2-CE1 3.8Å; V448-F486 HydrophobicContact CG2-CZ 3.91Å; R465-F486 HydrophobicContact CG-CD1 4.28Å; R465-F486 HydrophobicContact CG-CE1 4.21Å; A468-F486 HydrophobicContact CB-CD1 4.25Å; A468-F486 HydrophobicContact CB-CD2 4.3Å; A468-F486 HydrophobicContact CB-CE1 3.73Å; A468-F486 HydrophobicContact CB-CE2 3.79Å; A468-F486 HydrophobicContact CB-CZ 3.48Å; A468-F486 VanDerWaalsContact CB-CZ 3.48Å; S469-F486 WeakPolarHBondContact OG-CB 3.38Å; L472-F486 HydrophobicContact CD2-CB 3.82Å; L472-F486 HydrophobicContact CD2-CD2 4.37Å; I477-F486 HydrophobicContact CD1-CD2 4.36Å; I477-F486 HydrophobicContact CD1-CE2 4.12Å; F486-E488 HydrophobicContact CE1-CG 4.1Å; F486-Y492 WeakPolarHBondContact CA-OH 3.44Å; F486-Y492 HydrophobicContact CD2-CE1 4.04Å; F486-Y492 HydrophobicContact CD2-CE2 4.09Å; F486-Y492 AromaticContact CD2-CZ 3.63Å; F486-Y492 HydrophobicContact CE2-CD2 4.33Å; F486-Y492 HydrophobicContact CE2-CE1 4.38Å; F486-Y492 AromaticContact CE2-CE2 3.77Å; F486-Y492 HydrophobicContact CE2-CE2 3.77Å; F486-Y492 AromaticContact CE2-CZ 3.82Å
487S89.4Confident82.9Confident29 Ų2962.4 Ų62.420%0.20332%0.322CS..  trans-159.8119.1-168.8175.90000109.3K483 Q489 C490 Y492K483-S487 VanDerWaalsContact NZ-CB 3.28Å; K483-S487 PolarHBondContact NZ-OG 3.23Å; S487-Q489 PolarHBondContact O-N 2.73Å; S487-C490 VanDerWaalsContact CB-SG 3.57Å; S487-C490 PolarHBondContact O-N 2.92Å; S487-C490 PolarHBondContact OG-SG 3.11Å; S487-Y492 PolarHBondContact N-OH 3.37Å; S487-Y492 WeakPolarHBondContact O-CE2 3.39Å; S487-Y492 PolarHBondContact O-OH 2.87Å
488E90.6Very high80.6Confident27 Ų2767 Ų6713%0.12635%0.353CS..THydrogen-bonded Turntrans-61.5-29.2-177.5-69.4173.917800112.5I443 G444 S445 V448 R465 F486 C490I443-E488 WeakPolarHBondContact CG1-O 3.49Å; G444-E488 CarbonylContact C-O 3.53Å; G444-E488 WeakPolarHBondContact CA-O 3.41Å; G444-E488 PolarHBondContact N-O 2.87Å; S445-E488 PolarHBondContact N-O 3.27Å; V448-E488 HydrophobicContact CG2-CG 4.15Å; R465-E488 IonicContact CZ-OE1 3.21Å; R465-E488 IonicContact CZ-OE2 3.56Å; R465-E488 IonicContact NE-OE1 2.69Å; R465-E488 PolarHBondContact NE-OE1 3.36Å; R465-E488 IonicContact NE-OE2 3.76Å; R465-E488 IonicContact NH2-OE1 2.92Å; R465-E488 PolarHBondContact NH2-OE1 2.98Å; R465-E488 IonicContact NH2-OE2 2.73Å; R465-E488 PolarHBondContact NH2-OE2 3.35Å; F486-E488 HydrophobicContact CE1-CG 4.1Å; E488-C490 PolarHBondContact O-N 2.69Å; E488-C490 VanDerWaalsContact O-N 3.16Å
489Q87.1Confident78.3Confident149 Ų14963.3 Ų63.370%0.69635%0.351SS*.THydrogen-bonded Turntrans-83.225.8-180-56.1-58.5-48.800114S487S487-Q489 PolarHBondContact O-N 2.73Å
490C87.8Confident76Confident21 Ų2165.9 Ų65.914%0.14237%0.365CS..SBendtrans-133.5151.8-176-63.40000111.6I443 G444 H479 S487 E488 Y492I443-C490 WeakPolarHBondContact CA-O 3.27Å; G444-C490 PolarHBondContact N-O 3.05Å; H479-C490 WeakPolarHBondContact NE2-CB 3.42Å; S487-C490 VanDerWaalsContact CB-SG 3.57Å; S487-C490 PolarHBondContact O-N 2.92Å; S487-C490 PolarHBondContact OG-SG 3.11Å; E488-C490 PolarHBondContact O-N 2.69Å; E488-C490 VanDerWaalsContact O-N 3.16Å; C490-Y492 HydrophobicContact CB-CE2 3.9Å; C490-Y492 WeakPolarHBondContact O-CD2 3.36Å; C490-Y492 VanDerWaalsContact O-CE2 3.22Å; C490-Y492 WeakPolarHBondContact O-CE2 3.28Å
491Y88.3Confident73.8Confident62 Ų6270.1 Ų70.124%0.24338%0.383CS..EExtended strand (participates in β ladder)trans-87.9143.2176.1-66.2-71.6000112R431 W433 F442 I443 T480R431-Y491 VanDerWaalsContact CD-CE1 3.48Å; W433-Y491 AromaticContact CE3-CD2 3.44Å; W433-Y491 HydrophobicContact CE3-CD2 3.44Å; W433-Y491 VanDerWaalsContact CE3-CD2 3.44Å; W433-Y491 AromaticContact CE3-CE2 3.49Å; W433-Y491 HydrophobicContact CE3-CE2 3.49Å; W433-Y491 VanDerWaalsContact CE3-CE2 3.49Å; W433-Y491 AromaticContact CZ3-CD2 3.57Å; W433-Y491 HydrophobicContact CZ3-CD2 3.57Å; W433-Y491 AromaticContact CZ3-CE2 3.6Å; W433-Y491 HydrophobicContact CZ3-CE2 3.6Å; F442-Y491 WeakPolarHBondContact O-CA 3.26Å; I443-Y491 HydrophobicContact CB-CD1 3.86Å; I443-Y491 HydrophobicContact CB-CE1 3.73Å; I443-Y491 HydrophobicContact CD1-CE1 4.33Å; I443-Y491 HydrophobicContact CG1-CE1 4.36Å; T480-Y491 PolarHBondContact N-O 3.42Å; T480-Y491 PolarHBondContact OG1-O 2.98Å
492Y89.1Confident71.8Confident0 Ų069.4 Ų69.40%039%0.388CS..EExtended strand (participates in β ladder)trans-133.9154.9-178.5-63.3-88.8000109.3A441 F442 L472 I477 R478 H479 F486 S487 C490A441-Y492 WeakPolarHBondContact CA-O 3.3Å; F442-Y492 HydrophobicContact CE2-CG 4.4Å; F442-Y492 PolarHBondContact N-O 3.29Å; F442-Y492 PolarHBondContact O-N 3.16Å; L472-Y492 HydrophobicContact CD1-CD1 4.21Å; L472-Y492 HydrophobicContact CD1-CE1 3.94Å; L472-Y492 HydrophobicContact CD2-CE1 4.04Å; I477-Y492 HydrophobicContact CD1-CD1 4.3Å; I477-Y492 HydrophobicContact CD1-CG 4.5Å; I477-Y492 HydrophobicContact CG1-CD1 4.45Å; R478-Y492 VanDerWaalsContact O-CA 3.27Å; R478-Y492 WeakPolarHBondContact O-CA 3.31Å; H479-Y492 HydrophobicContact CB-CD1 4.05Å; H479-Y492 HydrophobicContact CB-CE1 3.74Å; H479-Y492 AromaticContact CD2-CE1 3.74Å; H479-Y492 AromaticContact CD2-CZ 3.77Å; F486-Y492 WeakPolarHBondContact CA-OH 3.44Å; F486-Y492 HydrophobicContact CD2-CE1 4.04Å; F486-Y492 HydrophobicContact CD2-CE2 4.09Å; F486-Y492 AromaticContact CD2-CZ 3.63Å; F486-Y492 HydrophobicContact CE2-CD2 4.33Å; F486-Y492 HydrophobicContact CE2-CE1 4.38Å; F486-Y492 AromaticContact CE2-CE2 3.77Å; F486-Y492 HydrophobicContact CE2-CE2 3.77Å; F486-Y492 AromaticContact CE2-CZ 3.82Å; S487-Y492 PolarHBondContact N-OH 3.37Å; S487-Y492 WeakPolarHBondContact O-CE2 3.39Å; S487-Y492 PolarHBondContact O-OH 2.87Å; C490-Y492 HydrophobicContact CB-CE2 3.9Å; C490-Y492 WeakPolarHBondContact O-CD2 3.36Å; C490-Y492 VanDerWaalsContact O-CE2 3.22Å; C490-Y492 WeakPolarHBondContact O-CE2 3.28Å
493V89.4Confident69.6Low34 Ų3470.2 Ų70.221%0.20639%0.387CS..EExtended strand (participates in β ladder)trans-126.9153.2171.6-175.40000106.9I438 I477 R478 T480 G495I438-V493 HydrophobicContact CG2-CG2 3.92Å; I477-V493 CarbonylContact C-O 3.59Å; I477-V493 WeakPolarHBondContact CA-O 3.39Å; R478-V493 PolarHBondContact N-O 2.84Å; R478-V493 PolarHBondContact O-N 3.18Å; T480-V493 HydrophobicContact CG2-CG2 4.1Å; V493-G495 PolarHBondContact O-N 2.7Å
494F87.8Confident67.5Low30 Ų3073.9 Ų73.913%0.13241%0.409CS..EExtended strand (participates in β ladder)trans-59.4140.6172.2-64.7-68000110.4M419 A420 L426 V428 F442 I477 L497M419-F494 HydrophobicContact CB-CE1 3.83Å; M419-F494 HydrophobicContact CB-CZ 3.94Å; M419-F494 HydrophobicContact CE-CE1 4.42Å; A420-F494 HydrophobicContact CB-CD1 4.33Å; A420-F494 HydrophobicContact CB-CD2 4.02Å; A420-F494 HydrophobicContact CB-CE1 4.07Å; A420-F494 HydrophobicContact CB-CE2 3.73Å; A420-F494 HydrophobicContact CB-CG 4.32Å; A420-F494 HydrophobicContact CB-CZ 3.77Å; L426-F494 HydrophobicContact CD2-CZ 4.03Å; V428-F494 HydrophobicContact CG1-CE2 4.16Å; V428-F494 HydrophobicContact CG2-CE2 3.8Å; V428-F494 HydrophobicContact CG2-CZ 4.14Å; F442-F494 HydrophobicContact CD1-CD2 4.39Å; F442-F494 AromaticContact CD1-CE2 3.96Å; F442-F494 HydrophobicContact CD1-CE2 3.96Å; F442-F494 HydrophobicContact CD1-CZ 4.05Å; F442-F494 AromaticContact CE1-CD1 3.81Å; F442-F494 HydrophobicContact CE1-CD1 3.81Å; F442-F494 AromaticContact CE1-CD2 3.63Å; F442-F494 HydrophobicContact CE1-CD2 3.63Å; F442-F494 AromaticContact CE1-CE1 3.72Å; F442-F494 HydrophobicContact CE1-CE1 3.72Å; F442-F494 AromaticContact CE1-CE2 3.53Å; F442-F494 HydrophobicContact CE1-CE2 3.53Å; F442-F494 AromaticContact CE1-CG 3.75Å; F442-F494 HydrophobicContact CE1-CG 3.75Å; F442-F494 AromaticContact CE1-CZ 3.57Å; F442-F494 HydrophobicContact CE1-CZ 3.57Å; F442-F494 AromaticContact CZ-CD1 3.91Å; F442-F494 HydrophobicContact CZ-CD1 3.91Å; F442-F494 AromaticContact CZ-CE1 3.9Å; F442-F494 HydrophobicContact CZ-CE1 3.9Å; F442-F494 HydrophobicContact CZ-CE2 4.5Å; F442-F494 HydrophobicContact CZ-CG 4.21Å; F442-F494 HydrophobicContact CZ-CZ 4.2Å; I477-F494 HydrophobicContact CG2-CD1 4.28Å; F494-L497 HydrophobicContact CB-CD1 4.28Å; F494-L497 HydrophobicContact CG-CD1 4.48Å
495G78.6Confident65.4Low7 Ų772.1 Ų72.17%0.07241%0.41CS..  trans-79.1-171.8168.400000111.7G475 Y476 V493 L497G475-G495 WeakPolarHBondContact O-CA 3.42Å; Y476-G495 PolarHBondContact O-N 2.97Å; V493-G495 PolarHBondContact O-N 2.7Å; G495-L497 VanDerWaalsContact C-N 3.28Å; G495-L497 PolarHBondContact O-N 3.38Å
496D72.1Confident63Low120 Ų12075.3 Ų75.364%0.64242%0.423SS*.  trans-80.475.6-168.5-50.3-69000111.3R478 C498 G499R478-D496 IonicContact CZ-OD2 2.9Å; R478-D496 VanDerWaalsContact NH1-CG 3.26Å; R478-D496 IonicContact NH1-OD1 3.77Å; R478-D496 PolarHBondContact NH1-OD1 2.88Å; R478-D496 VanDerWaalsContact NH1-OD1 3.12Å; R478-D496 IonicContact NH1-OD2 3.78Å; R478-D496 PolarHBondContact NH1-OD2 3.24Å; D496-C498 PolarHBondContact O-N 2.89Å; D496-G499 PolarHBondContact O-N 3.45Å
497L57.7Low60.1Low45 Ų4582.2 Ų82.224%0.23646%0.455CS..THydrogen-bonded Turntrans-51.4-16.3177.2-70166.1000114A416 A420 Y476 F494 G495A416-L497 HydrophobicContact CB-CD2 3.79Å; A420-L497 HydrophobicContact CB-CD1 4.06Å; Y476-L497 HydrophobicContact CD1-CD2 4.25Å; F494-L497 HydrophobicContact CB-CD1 4.28Å; F494-L497 HydrophobicContact CG-CD1 4.48Å; G495-L497 VanDerWaalsContact C-N 3.28Å; G495-L497 PolarHBondContact O-N 3.38Å
498C40.8Very low57.2Low97 Ų9787.5 Ų87.566%0.65548%0.481SS*.THydrogen-bonded Turntrans-82.2-22.8176-165.20000114.1D496 N500D496-C498 PolarHBondContact O-N 2.89Å; C498-N500 PolarHBondContact O-N 3.05Å
499G39.7Very low54.4Low38 Ų3894.4 Ų94.439%0.39251%0.513SS..G310 helixtrans-66.1-39.7-172.800000113.9D496 M501 A502D496-G499 PolarHBondContact O-N 3.45Å; G499-M501 PolarHBondContact O-N 2.88Å; G499-M501 VanDerWaalsContact O-N 3.15Å; G499-A502 PolarHBondContact O-N 3.4Å; G499-A502 VanDerWaalsContact O-N 3.08Å
500N36Very low51.8Low77 Ų7794.6 Ų94.641%0.41252%0.519SS..G310 helixtrans-76.5-1.9-170.1-69.8-0.2000114.9Y476 C498Y476-N500 PolarHBondContact OH-ND2 2.88Å; C498-N500 PolarHBondContact O-N 3.05Å
501M34.7Very low48.9Very low143 Ų14396.7 Ų96.770%0.70454%0.544SS*.G310 helixtrans-81.4-16.8167.4-67.9-168.5-63.400112.9G499G499-M501 PolarHBondContact O-N 2.88Å; G499-M501 VanDerWaalsContact O-N 3.15Å
502A32.8Very low46.2Very low91 Ų9199.1 Ų99.175%0.75257%0.57SS**SBendtrans-91.6-8.1-178.400000114.4G499G499-A502 PolarHBondContact O-N 3.4Å; G499-A502 VanDerWaalsContact O-N 3.08Å
503H28.9Very low43.6Very low167 Ų167105.1 Ų105.177%0.77361%0.612SS**SBendtrans-11931-171.3-159.3-77.2000113.6
504L34.1Very low40.7Very low152 Ų152107.6 Ų107.680%0.79665%0.645SS**SBendtrans-128.230175.1-71.3175.1000112.7
505S33.7Very low38Very low110 Ų110110.2 Ų110.277%0.76968%0.68SS**SBendtrans-152.169.6177.4-69.90000113.1
506L35.4Very low35.6Very low152 Ų152114.5 Ų114.580%0.79671%0.714SS**  trans179.590.5138.8-103.3156.7000111D508L506-D508 WeakPolarHBondContact CD2-OD2 3.43Å
507H28.6Very low33.8Very low176 Ų176114.7 Ų114.782%0.81573%0.725SS**  trans-143.373154.3-152.977.4000108.4H509H507-H509 PolarHBondContact O-N 3.32Å
508D28.8Very low32.5Very low139 Ų139119 Ų11974%0.74375%0.749SS**  trans-55.8120.8173-78.8-79.6000110.1L506L506-D508 WeakPolarHBondContact CD2-OD2 3.43Å
509H31.8Very low32.2Very low172 Ų172123.8 Ų123.880%0.79676%0.761SS**  trans-111.499164.8-151.7-56.6000108.1H507H507-H509 PolarHBondContact O-N 3.32Å
510D32.1Very low31.9Very low154 Ų154128.8 Ų128.882%0.82478%0.779SS**  trans-58.3143.1-179.7-164.5-3.1000110.9
511G27.4Very low31.6Very low65 Ų65131.8 Ų131.867%0.6780%0.8SS**  trans-174.26-157.400000120.4
512S30.9Very low31.6Very low113 Ų113130.8 Ų130.879%0.7980%0.802SS**  trans44.6107.1161-1680000120.4
513S33.6Very low32Very low125 Ų125132.2 Ų132.287%0.87480%0.804SS**  -165.9141.7129.438.30000110.6
514G29.8Very low32.3Very low87 Ų87130.1 Ų130.190%0.89781%0.805SS**  trans-122.7167.4-173.600000113.9
515G29.9Very low32Very low84 Ų84131.2 Ų131.287%0.86681%0.811SS**  trans-176.6107.7174.700000110.4
516A29.6Very low32.4Very low97 Ų97130.2 Ų130.280%0.80280%0.801SS**  trans-84.5152.8-177.200000112.4
517S33.6Very low32.3Very low124 Ų124131.4 Ų131.487%0.86780%0.803SS**  trans-153.2113.8153.9-159.80000109.4
518D31.2Very low32.7Very low137 Ų137129.4 Ų129.473%0.73381%0.805SS**  trans-77.1147.8-177.5-43.5-99.2000112.1
519Q34.3Very low32.6Very low196 Ų196126.2 Ų126.292%0.91681%0.805SS**  trans-146.5116.9133.3-74.3-152.21.600110.9
520D31.7Very low32.5Very low143 Ų143123.4 Ų123.477%0.76581%0.812SS**  trans-68.2142.2165.9-91.9-66.5000111.9
521T31.3Very low32.5Very low140 Ų140120 Ų12086%0.85981%0.805SS**  trans-157.1121.3142.5-72.80000109.5
522V34.1Very low32.9Very low122 Ų122123 Ų12374%0.73981%0.813SS**  trans-89.2156.1-179.6-88.10000113.1
523P41.3Very low32.9Very low121 Ų121129 Ų12979%0.78682%0.818SS**  trans-92.4161.5-166.536.8-38000115
524P34.8Very low33.4Very low124 Ų124128.5 Ų128.581%0.80581%0.812SS**  trans-113.7148.6163.436.8-27.8000114.6
525L28.5Very low33.4Very low175 Ų175130.7 Ų130.792%0.91680%0.801SS**  trans-96.9178170-90.2167.9000110.6
526P41.9Very low33.7Very low88 Ų88132.7 Ų132.757%0.57180%0.798SS**  trans-113.1177.2-135.143.1-41.3000118.6
527H34Very low33.6Very low177 Ų177134.7 Ų134.782%0.81980%0.795SS**  trans72.3144.4162.8-56.5-53000116.1
528P36.1Very low34.2Very low134 Ų134133.2 Ų133.287%0.8778%0.782SS**  -151.3176.361.841.9-22.1000118.3
529G27.3Very low34.1Very low72 Ų72136.6 Ų136.674%0.74279%0.786SS**  trans134.7106.8141.100000121.2
530A29.2Very low33.7Very low113 Ų113134.8 Ų134.893%0.93478%0.778SS**  trans68.8159.4151.600000121.2
531A32.3Very low33.5Very low82 Ų82136.8 Ų136.868%0.67878%0.78SS**  trans-143.6179.9-170.200000112
532P34.5Very low33.9Very low129 Ų129135.3 Ų135.384%0.83877%0.773SS**  -140.5161.412237.8-25.7000115.6
533W31.1Very low33.8Very low238 Ų238137 Ų13790%0.90278%0.776SS**  trans-99.1174.7174.2-63.590.6000111.8
534P44.3Very low33.7Very low115 Ų115135.5 Ų135.575%0.74777%0.766SS**  -151.5133.29333.7-13.5000118.3
535M30.9Very low33.5Very low134 Ų134138.1 Ų138.166%0.6677%0.768SS**  trans67146.3143.1-48-56.2-84.100120.1L537M535-L537 HydrophobicContact CE-CB 4.15Å; M535-L537 HydrophobicContact CE-CD1 3.43Å; M535-L537 VanDerWaalsContact CE-CD1 3.43Å; M535-L537 HydrophobicContact CE-CG 3.6Å
536P36.5Very low34.3Very low126 Ų126134.7 Ų134.782%0.81876%0.755SS**  -130.1174.978.140.2-30.8000116
537L26.8Very low33.6Very low138 Ų138140.6 Ų140.672%0.72377%0.768SS**  trans-158.5175-178.6-89.8-168.7000109.5M535M535-L537 HydrophobicContact CE-CB 4.15Å; M535-L537 HydrophobicContact CE-CD1 3.43Å; M535-L537 VanDerWaalsContact CE-CD1 3.43Å; M535-L537 HydrophobicContact CE-CG 3.6Å
538P46.9Very low33.3Very low94 Ų94139.1 Ų139.161%0.6177%0.766SS**  cis-133.6174.2-22.431.1-11.7000114
539Y27.5Very low33Very low207 Ų207139.8 Ų139.881%0.81276%0.762SS**  160.7166.6127.1-100.4-77.5000112.7
540Q27.6Very low33.8Very low159 Ų159141.3 Ų141.374%0.74376%0.758SS**  -141.5151.5-97.8-168.4167.66.800113.3
541F26.1Very low33.7Very low185 Ų185143.8 Ų143.881%0.81175%0.75SS**  trans-24.3162.1165-78.4-77.5000119.7
542P40.6Very low34.4Very low108 Ų108144.2 Ų144.270%0.70175%0.747SS**  -159.4155.350.742.9-19.9000123.9
543I30.8Very low34Very low158 Ų158146 Ų14681%0.8174%0.741SS**  trans72.3151.3134.6-67.7170.6000121.8
544P39.6Very low34.1Very low90 Ų90142.8 Ų142.858%0.58474%0.736SS**  trans-135.5167.8-162.243.4-24.9000120.2
545H30Very low33.2Very low179 Ų179140.9 Ų140.983%0.82974%0.737SS**  trans66.8174.3163-49.1-55.5000118
546P45.4Very low33Very low102 Ų102138.2 Ų138.266%0.66274%0.744SS**  cis-136.5-177.1-632.8-9.5000117.5
547Y28Very low33.5Very low212 Ų212138.1 Ų138.183%0.83174%0.744SS**  trans67.3157.5168.6-67.4-77.9000118.6
548D27.8Very low33.7Very low147 Ų147136.4 Ų136.479%0.78675%0.75SS**  cis-149.4-176.916.4-141.5-28.3000115.1
549L30.7Very low33.1Very low148 Ų148137.1 Ų137.178%0.77576%0.763SS**  trans-106.2-174.3174.3-121.382000111.7
550P43.7Very low33.1Very low103 Ų103131 Ų13167%0.66976%0.763SS**  cis-142.6-1771446-25.9000118.4
551Q27.2Very low33.4Very low165 Ų165129.3 Ų129.377%0.77177%0.769SS**  trans24.3165.3136.3-65.4-82.1-54.200123
552P45.8Very low33.7Very low92 Ų92125 Ų12560%0.59777%0.767SS**  cis-146.8-176.3-19.737.7-16000118.6
553F27.5Very low33.1Very low166 Ų166123.2 Ų123.273%0.72877%0.769SS**  trans81.2141.5137.5-93.1-55.9000126.5
554H31.6Very low33.3Very low170 Ų170120.5 Ų120.579%0.78776%0.763SS**  trans61.3153.8156.6-58.7-59000121.1
555G25.8Very low33Very low75 Ų75125 Ų12577%0.77378%0.777SS**  cis161.2127.1-16.700000117.4
556G26.4Very low32.9Very low78 Ų78124.7 Ų124.780%0.80478%0.775SS**  trans82.7-179.8160.400000118.4
557P47.3Very low32.2Very low125 Ų125124.8 Ų124.881%0.81278%0.779SS**  cis-137.7151.1-2.240.6-23.2000118.7
558A31.2Very low32.2Very low102 Ų102118.5 Ų118.584%0.84378%0.778SS**  trans69.4155.4135.200000125.6
559A33.8Very low32.3Very low108 Ų108116.9 Ų116.989%0.89378%0.778SS**  trans68.2134.6167.400000119.3
560G28.5Very low32.4Very low78 Ų78115.8 Ų115.880%0.80478%0.783SS**  cis-170.2167.7-3.200000115.4
561S33.4Very low31.7Very low124 Ų124114.1 Ų114.187%0.86779%0.785SS**  trans-56.7167.2178.5-68.80000117.1
562A32.1Very low32Very low95 Ų95112.2 Ų112.279%0.78579%0.789SS**  cis-174157.6-20.300000112.4
563G28.8Very low31.4Very low71 Ų71115.7 Ų115.773%0.73280%0.803SS**  trans69.5176.615100000119.5
564S34.2Very low31.5Very low100 Ų100114.1 Ų114.170%0.69981%0.811SS**  cis175.3157.6-32.848.80000110.4
565Q32.8Very low31.6Very low186 Ų186111.5 Ų111.587%0.86981%0.812SS**  trans70.9162.9171.5-53.1-176.313.700114.7
566H28.8Very low32Very low171 Ų171118.2 Ų118.279%0.79282%0.82SS**  cis175.6142.2-30.6175.171.9000104.8
567S31.2Very low32.3Very low105 Ų105122.7 Ų122.773%0.73482%0.819SS**  trans158.3-159.2168.668.30000115.9
568G27.9Very low31.7Very low79 Ų79125.3 Ų125.381%0.81482%0.821SS**  -122.1175.1-118.300000118.4
569S30.5Very low31.7Very low114 Ų114123 Ų12380%0.79781%0.807SS**  trans-97145.2-174.652.90000113.7
570S31.5Very low31.8Very low125 Ų125128.4 Ų128.487%0.87480%0.804SS**  trans175.8143144.9-75.80000107.8
571G29.5Very low32.1Very low68 Ų68133.1 Ų133.170%0.70180%0.803SS**  cis108.799.82.200000112.7
572S33.7Very low32Very low124 Ų124132.8 Ų132.887%0.86780%0.801SS**  trans-173.4147162.4-84.30000111.7
573N31.9Very low31.8Very low166 Ų166132 Ų13289%0.88880%0.801SS**  trans-101.8157.7-177.1-51.7-15.3000111.4
574C29.9Very low31.8Very low133 Ų133132.3 Ų132.390%0.89980%0.804SS**  trans-148.9135.2139.467.10000111.9
575S34.9Very low31.7Very low114 Ų114133.9 Ų133.980%0.79782%0.816SS**  trans-112.1155.517555.70000110.8
576K33.1Very low31.5Very low217 Ų217128.6 Ų128.694%0.94381%0.811SS**  trans-159.8149.1155.5-118.9170.4-175.1-179.90112.3
577H33.3Very low31.7Very low172 Ų172125.4 Ų125.480%0.79681%0.808SS**  trans-146.8119.8-173.6157.4-65.3000109
578E34.2Very low31.7Very low179 Ų179128.9 Ų128.984%0.83681%0.813SS**  trans-165.2148149.9-72.7-150122.100106.7
579G32.1Very low31.9Very low54 Ų54130.1 Ų130.156%0.55781%0.809SS**  cis115.683.5-13.100000115.9
580R35.1Very low32Very low221 Ų221132.7 Ų132.783%0.83481%0.808SS**  trans174128.9140.9-97.3154.7-176.1-147.41.4116.9
581K34.6Very low32Very low177 Ų177132.5 Ų132.577%0.7780%0.796SS**  trans72.2111.2130.2-76-172.3173.1-164.90124.2
582S31.2Very low32Very low118 Ų118140.2 Ų140.283%0.82580%0.804SS**  76.1136.1112.574.30000123.9
583G28.8Very low31.8Very low78 Ų78139 Ų13980%0.80480%0.795SS**  trans152114.1135.100000118.2
584G28.9Very low31.8Very low77 Ų77139.1 Ų139.179%0.79479%0.79SS**  trans65.8130.5155.500000118.3
585S32.1Very low31.8Very low134 Ų134143.6 Ų143.694%0.93779%0.788SS**  cis72.2129.434.6-161.90000115.1
586G28.5Very low31.8Very low75 Ų75142.1 Ų142.177%0.77378%0.783SS**  trans156.593.7176.800000114
587S33.5Very low32.5Very low103 Ų103138 Ų13872%0.7278%0.779SS**  trans-84.3178.2-178.8-54.70000114.3
588E30.4Very low32.6Very low179 Ų179135.2 Ų135.284%0.83678%0.778SS**  trans83.4110.8143.6-76.8151.5158.100121.6
589S33.1Very low32.5Very low105 Ų105135.3 Ų135.373%0.73478%0.779SS**  trans-26160.5141.855.40000119
590E32.1Very low32.4Very low168 Ų168142.3 Ų142.379%0.78579%0.788SS**  -165.3166.3117.3-114.2-156.4121.800115.9
591I31.8Very low32.1Very low121 Ų121136.4 Ų136.462%0.62178%0.781SS**  trans60108.6150.1-71.9162.5000117.8
592R29.6Very low31.8Very low230 Ų230134.4 Ų134.487%0.86878%0.783SS**  56.5136.980.4-66.1176.9171.3167.9-2.2112.8
593S29.4Very low31.9Very low97 Ų97133.1 Ų133.168%0.67878%0.78SS**  -178.2153.959.7-158.80000112.5
594H30.7Very low33.4Very low170 Ų170135 Ų13579%0.78778%0.778SS**  trans10.4151.6139.5-63.9-56000121.3
595R31.2Very low34.3Very low226 Ų226137.4 Ų137.485%0.85378%0.78SS**  cis179.8154.22.4159.4-174.2-169.2-173.96.8109.2
596A34.7Very low34.3Very low84 Ų84136.2 Ų136.269%0.69477%0.771SS**  trans-80.5153.917600000114.1
597P47.3Very low34.4Very low131 Ų131139 Ų13985%0.85176%0.764SS**  trans-95.8154.6156.836.2-29.9000111.9
598S35.8Very low34.2Very low113 Ų113143.4 Ų143.479%0.7977%0.765SS**  trans-137.9128.5-17557.80000111.8
599E31.5Very low34Very low181 Ų181139.4 Ų139.485%0.84676%0.757SS**  trans-161.2159.8161.4-78.6-142.4105.900110.2
600R29.9Very low33.8Very low200 Ų200140.9 Ų140.976%0.75576%0.755SS**  cis-174.4129-30.1-179.3167.5-173-93.1-0.7110.1
601S28.6Very low33.7Very low97 Ų97143.5 Ų143.568%0.67876%0.757SS**  trans64.8167.3160.7-71.80000119.3
602V28.8Very low33.5Very low135 Ų135142.4 Ų142.482%0.81876%0.761SS**  cis-170.2157.1-45.91220000110.2
603A33Very low33.6Very low91 Ų91135.8 Ų135.875%0.75275%0.75SS**  trans87.6155.1161.600000121.5
604P61.3Low33.7Very low117 Ų117137.6 Ų137.676%0.7676%0.756SS**  trans-115.7-163.3-172.741.1-24000113.4
605P47.7Very low33.7Very low129 Ų129133.4 Ų133.484%0.83875%0.746SS**  -152.9-165.293.442.6-23.4000116.1
606S31Very low33.8Very low108 Ų108130.2 Ų130.276%0.75574%0.741SS**  trans-123.8-166.9-176.258.10000111.3
607E30.8Very low33.6Very low133 Ų133136.6 Ų136.662%0.62175%0.747SS**  cis-162.6160.116-145.1-156.1158.100112.1
608R29.3Very low32.9Very low197 Ų197135.6 Ų135.674%0.74374%0.743SS**  trans71.3152155.6-59.5176.8-171.7-97.4-25.8123.3
609S26.6Very low32.8Very low95 Ų95134.4 Ų134.466%0.66474%0.74SS**  109125.1122.7-95.30000122.9
610I29.2Very low32.8Very low135 Ų135132.2 Ų132.269%0.69273%0.734SS**  87.9123.4129-72.5169.2000121.5
611R28.7Very low32.9Very low223 Ų223126.3 Ų126.384%0.84272%0.723SS**  trans66.6134.7157.2-76.7167.1-170.2-174.11.1117.5
612S29.3Very low33.1Very low98 Ų98130 Ų13069%0.68573%0.729SS**  71.8143.866.9111.90000112.1
613S30.9Very low33.1Very low91 Ų91127.7 Ų127.764%0.63672%0.719SS**  cis178.9155.67.433.90000110.2
614V31.6Very low33.1Very low136 Ų136130.5 Ų130.582%0.82472%0.72SS**  trans65.7138.9146.2163.30000116.1
615S31.3Very low31.6Very low82 Ų82128.7 Ų128.757%0.57372%0.715SS**  cis-156.7-172.70.1-123.80000107.8
616H32.2Very low30.9Very low159 Ų159133.3 Ų133.374%0.73672%0.717SS**  cis-154.113839.3-79.4-95.4000114.1
617R31.6Very low30.8Very low218 Ų218131.6 Ų131.682%0.82372%0.716SS**  trans48.3124.9138.4-61-173.8174-158.7-4.5119.6
618S31.4Very low31.4Very low110 Ų110131.8 Ų131.877%0.76973%0.729SS**  70.2134.757.6-170.30000111.9
619A34.8Very low31.4Very low87 Ų87125.6 Ų125.672%0.71973%0.726SS**  cis-124.1151.230.100000114.1
620N31Very low31.7Very low135 Ų135129.2 Ų129.272%0.72274%0.737SS**  68.4139.964.2-11740.7000112.4
621S31.6Very low31.8Very low77 Ų77128.6 Ų128.654%0.53874%0.74SS.*  cis-174.1153.46.417.40000113
622H33Very low32.1Very low174 Ų174128.2 Ų128.281%0.80674%0.74SS**  trans58.6163.5146.3-61.8-44.5000120.4
623S28.4Very low32Very low87 Ų87126.5 Ų126.561%0.60874%0.737SS**  cis-170.1159.8-34.861.30000111.4
624I33Very low32.9Very low150 Ų150127.6 Ų127.677%0.76974%0.743SS**  trans67.697.3149-67.5163.1000120
625A29.8Very low33.7Very low78 Ų78127.4 Ų127.465%0.64574%0.744SS**  78158.5115.600000125
626Y32.5Very low33.6Very low227 Ų227126.9 Ų126.989%0.8975%0.752SS**  trans73.4134.6169.1-61.5-78000119.8
627G30.6Very low33.5Very low71 Ų71127.7 Ų127.773%0.73276%0.761SS**  trans-95.7-160.2161.500000111.2
628P43.3Very low34.5Very low137 Ų137122.9 Ų122.989%0.8976%0.757SS**  cis-142.4-171.72343.1-24000116.5
629G28Very low35Very low67 Ų67123.5 Ų123.569%0.69176%0.759SS**  trans104.187.9131.800000124.2
630L32.8Very low34.8Very low171 Ų171127.8 Ų127.890%0.89576%0.764SS**  63.1169.6129.1-68.5175.1000125.2
631V32Very low35.4Very low122 Ų122126 Ų12674%0.73976%0.76SS**  trans66.7150167.6-102.30000119
632Y34.6Very low35.3Very low216 Ų216127.8 Ų127.885%0.84777%0.768SS**  cis-129.3172.64.7-110.8-91.2000110.1
633G27.7Very low35.1Very low61 Ų61127.2 Ų127.263%0.62977%0.765SS**  cis-166.7-136.814.200000116
634P49.1Very low35.1Very low115 Ų115129.8 Ų129.875%0.74777%0.771SS**  -129.3-161.3-102.539.6-23.4000115
635P49.6Very low34.9Very low131 Ų131127.3 Ų127.385%0.85177%0.767SS**  -129.9171.8-70.140.5-25.6000115
636G28.5Very low34.8Very low72 Ų72129.8 Ų129.874%0.74277%0.774SS**  trans-171.9152.816900000113.8
637L31.1Very low34.6Very low176 Ų176123.4 Ų123.492%0.92177%0.769SS**  trans-116.9-158.5-177.3-65168.8000112.2
638P51.8Low34.8Very low116 Ų116124.5 Ų124.575%0.75377%0.771SS**  -107.7-165.7-117.937.4-16.1000112.3
639P41.9Very low34.6Very low124 Ų124124.4 Ų124.481%0.80577%0.77SS**  cis-141-164.410.743-20.8000117.2
640Q31.1Very low34.6Very low176 Ų176125.1 Ų125.182%0.82278%0.777SS**  trans-65.8174.6166.4-83-163.940.100113.1
641P42.7Very low34.4Very low99 Ų99121.5 Ų121.564%0.64377%0.773SS**  cis-150.8-178.727.639.3-14.8000120.7
642T30Very low35.2Very low113 Ų113120.7 Ų120.769%0.69377%0.77SS**  trans63.9120.7142.148.20000125.7
643H28.8Very low35Very low162 Ų162119.5 Ų119.575%0.7577%0.772SS**  69.7134.3125.3-82.9-117.3000125.5
644L27.9Very low35Very low142 Ų142119.7 Ų119.774%0.74377%0.774SS**  trans75109.5133.7-78.2169.1000123.6
645S29Very low34.1Very low98 Ų98125.5 Ų125.569%0.68578%0.781SS**  90.2128.9115.9-123.60000124.1
646T27.9Very low33Very low129 Ų129127 Ų12779%0.79178%0.777SS**  trans84.9148137.9-48.10000120.2
647A28.1Very low33.1Very low94 Ų94130.8 Ų130.878%0.77778%0.779SS**  trans89.1113.9163.100000119.4
648A34.3Very low32.9Very low93 Ų93129.1 Ų129.177%0.76978%0.776SS**  trans-90.8163.4144.300000108
649P40.5Very low31.9Very low135 Ų135129.2 Ų129.288%0.87778%0.78SS**  -149.6-179.671.240.4-21.6000115.2
650G27.3Very low31.8Very low82 Ų82129.9 Ų129.985%0.84578%0.782SS**  trans139.7125.2157.700000116.6
651A28.7Very low32.2Very low96 Ų96127 Ų12779%0.79378%0.778SS**  trans-141.8-179.5165.800000107
652P48.9Very low32.3Very low105 Ų105127.7 Ų127.768%0.68278%0.783SS**  cis-137.1-153.21.634.3-9.8000113.3
653Q30.7Very low32.3Very low190 Ų190131.3 Ų131.389%0.88879%0.792SS**  trans78.4148.4168.5-45.2-179.431.100116
654G27.8Very low32.8Very low66 Ų66131.6 Ų131.668%0.6880%0.798SS**  cis159.6160.4-7.400000112.5
655R30.1Very low33.4Very low236 Ų236130.7 Ų130.789%0.89180%0.799SS**  trans70.8161.6178.5-68.7-174.2166.6144.7-1.4117.9
656E25.1Very low33.6Very low163 Ų163129.9 Ų129.976%0.76280%0.797SS**  cis-163.2176-37.8-159156.817800109.3
657L32.2Very low34Very low151 Ų151128.1 Ų128.179%0.79179%0.79SS**  trans-64.6147.9-174-61.6158.3000115.2
658T26.7Very low34.5Very low141 Ų141134.2 Ų134.287%0.86579%0.793SS**  176.8113.3117.428.90000113.1
659S31.2Very low34.8Very low119 Ų119136.9 Ų136.983%0.83279%0.79SS**  trans-172.3127.8139.8480000111.2
660V38.9Very low34.7Very low138 Ų138133.9 Ų133.984%0.83677%0.772SS**  trans-145.2126.5170.3177.40000107.2
661P39Very low35.1Very low114 Ų114136.9 Ų136.974%0.7477%0.768SS**  trans-137.8-176.1131.845.9-33.2000109.6
662P45Very low35.7Very low115 Ų115142.7 Ų142.775%0.74777%0.769SS**  -140.5120.7-9933.2-10.1000115.3
663E29.7Very low35.2Very low189 Ų189145.7 Ų145.788%0.88378%0.777SS**  trans-145.999.2166.7-136.8166.7-140.300113.2
664L39.9Very low35.5Very low167 Ų167140.7 Ų140.787%0.87477%0.767SS**  trans-127.879.6177.2-83.3179.2000111.5
665T39.3Very low35.9Very low124 Ų124142.7 Ų142.776%0.76177%0.766SS**SBendtrans-141-39.5167.422.50000113.4
666A34.2Very low36.1Very low80 Ų80135.4 Ų135.466%0.66177%0.765SS**G310 helixtrans-73.9-39.5-175.100000114.9R668 Q669A666-R668 PolarHBondContact O-N 3.12Å; A666-Q669 PolarHBondContact O-N 3.44Å
667S36.9Very low36.7Very low92 Ų92133.8 Ų133.864%0.64376%0.761SS**G310 helixtrans-72.64-165.9-154.60000115.9
668R38.5Very low36.9Very low222 Ų222131.5 Ų131.584%0.83876%0.764SS**G310 helixtrans-102.7-5.4174.8-99.2-175.1166-163.5-5.2114.8A666A666-R668 PolarHBondContact O-N 3.12Å
669Q40.8Very low37.4Very low149 Ų149127.6 Ų127.670%0.69675%0.752SS**THydrogen-bonded Turntrans-103.4-32.6173.9-74.1-177-23.200113A666 L671 R672 M673A666-Q669 PolarHBondContact O-N 3.44Å; Q669-L671 VanDerWaalsContact C-N 3.35Å; Q669-L671 PolarHBondContact O-N 3.42Å; Q669-R672 WeakPolarHBondContact O-CA 3.45Å; Q669-R672 PolarHBondContact O-N 3.36Å; Q669-M673 PolarHBondContact O-N 2.85Å
670S38.2Very low37.7Very low73 Ų73128.7 Ų128.751%0.5174%0.744SS.*Hα-helixtrans-58.1-43.4177490000112.8R672 M673S670-R672 PolarHBondContact O-N 3.11Å; S670-M673 PolarHBondContact O-N 3.48Å
671L35.5Very low37.6Very low145 Ų145129.7 Ų129.776%0.75974%0.737SS**Hα-helixtrans-73.1-1.6176.4-158.1127.3000113.9Q669Q669-L671 VanDerWaalsContact C-N 3.35Å; Q669-L671 PolarHBondContact O-N 3.42Å
672R41.9Very low37.2Very low217 Ų217132.7 Ų132.782%0.81974%0.739SS**Hα-helixtrans-104.5-5.8171.2-80.7-172.5167.2-161.2-4.5114Q669 S670Q669-R672 WeakPolarHBondContact O-CA 3.45Å; Q669-R672 PolarHBondContact O-N 3.36Å; S670-R672 PolarHBondContact O-N 3.11Å
673M36.4Very low36.9Very low169 Ų169129.5 Ų129.583%0.83372%0.717SS**Hα-helixtrans-102.8-8176.6-69.1-68.7-172.800113.1Q669 S670Q669-M673 PolarHBondContact O-N 2.85Å; S670-M673 PolarHBondContact O-N 3.48Å
674A37Very low37.2Very low84 Ų84125.2 Ų125.269%0.69470%0.7SS**SBendtrans-95.911.2-175.800000114.7
675V37.9Very low37.3Very low108 Ų108118.7 Ų118.766%0.65567%0.667SS**  trans-129.577.5177.8-173.20000109.1N677V675-N677 PolarHBondContact O-N 3.03Å
676G33.5Very low37Very low83 Ų83121.7 Ų121.786%0.85668%0.675SS**  trans-79.264.2177.800000112.9
677N38.3Very low37.1Very low130 Ų130123.8 Ų123.870%0.69568%0.675SS**  trans-2.7115.3173.7-175.324000119V675V675-N677 PolarHBondContact O-N 3.03Å
678A35Very low37.1Very low103 Ų103125.4 Ų125.485%0.85168%0.677SS**SBendtrans-145.997.6150.800000111
679G38.4Very low37.1Very low58 Ų58120.1 Ų120.160%0.59867%0.668SS**SBendtrans106.42.2158.100000119.2F681G679-F681 PolarHBondContact O-N 3.09Å; G679-F681 VanDerWaalsContact O-N 3.09Å
680E37.2Very low36.9Very low143 Ų143118.4 Ų118.467%0.66867%0.667SS**  trans-79.291175.8-71.4-166.4146.600112.4F682E680-F682 VanDerWaalsContact C-N 3.25Å; E680-F682 HydrophobicContact CB-CD2 4.14Å; E680-F682 HydrophobicContact CB-CE2 4.37Å; E680-F682 PolarHBondContact O-N 3.17Å
681F37Very low36.8Very low158 Ų158121.2 Ų121.269%0.69368%0.676SS**  trans-7475.1169.2-73.2-73.3000112G679 V683G679-F681 PolarHBondContact O-N 3.09Å; G679-F681 VanDerWaalsContact O-N 3.09Å; F681-V683 PolarHBondContact O-N 2.6Å
682F30.8Very low36.8Very low177 Ų177119.6 Ų119.678%0.77667%0.671SS**  trans-63.5116.5164.1-91.2-89.3000110.2E680E680-F682 VanDerWaalsContact C-N 3.25Å; E680-F682 HydrophobicContact CB-CD2 4.14Å; E680-F682 HydrophobicContact CB-CE2 4.37Å; E680-F682 PolarHBondContact O-N 3.17Å
683V39.1Very low36.5Very low49 Ų49112.6 Ų112.630%0.29766%0.66SS.*  trans-126.699.9170.5-169.60000108F681 V685F681-V683 PolarHBondContact O-N 2.6Å; V683-V685 HydrophobicContact CB-CG2 4.4Å; V683-V685 HydrophobicContact CG1-CG2 3.64Å; V683-V685 PolarHBondContact O-N 2.86Å
684D35.8Very low36.5Very low99 Ų99108.3 Ų108.353%0.52965%0.647SS.*  trans-75.1116.5163.9-155.110000106.8
685V41Very low36.5Very low30 Ų30110.3 Ų110.318%0.18264%0.643CS.*  trans-104.678.9-176.7-169.90000108.7F259 R320 V323 V683F259-V685 WeakPolarHBondContact CB-O 3.28Å; R320-V685 HydrophobicContact CG-CG1 4.07Å; R320-V685 HydrophobicContact CG-CG2 4.04Å; V323-V685 HydrophobicContact CB-CG1 3.88Å; V323-V685 HydrophobicContact CG1-CB 4.4Å; V323-V685 HydrophobicContact CG1-CG1 3.51Å; V683-V685 HydrophobicContact CB-CG2 4.4Å; V683-V685 HydrophobicContact CG1-CG2 3.64Å; V683-V685 PolarHBondContact O-N 2.86Å
686M33.3Very low36.3Very low186 Ų186110.5 Ų110.592%0.91664%0.642SS**  trans-82.90163.8-65.5-170.3-178.800111.7

Retrieved 686 of 686 residues in 355.2 ms (Link to these results)

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