A0A5K4F4G0_SCHMA Loading...

Major vault protein

AlphaFold DB , UniProt , Accession A0A5K4F4G0, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 870 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
1M35.7Very low58.7Low240 Ų240106.3 Ų106.3100%1.18258%0.583SS**  0114.60-73.6177.9176.600106.8S3M1-S3 VanDerWaalsContact C-N 3.31Å; M1-S3 PolarHBondContact O-N 2.68Å
2K42.1Very low61Low215 Ų21597.6 Ų97.694%0.93554%0.535SS*.  trans-65.999.2168.1-75.7-178.8176.2-179.10105.6N4K2-N4 PolarHBondContact O-N 3.07Å; K2-N4 VanDerWaalsContact O-N 3.13Å
3S47.2Very low63Low49 Ų4994.5 Ų94.534%0.34353%0.525SS..  trans-54.8121.3172.645.50000106.6M1 P5M1-S3 VanDerWaalsContact C-N 3.31Å; M1-S3 PolarHBondContact O-N 2.68Å; S3-P5 VanDerWaalsContact O-CD 3.31Å; S3-P5 WeakPolarHBondContact O-CD 3.49Å; S3-P5 VanDerWaalsContact O-N 3.08Å
4N49.3Very low64.7Low112 Ų11293.8 Ų93.860%0.59953%0.526SS*.  trans-53.4118.1176-160.116.3000106.6K2 D6 S7K2-N4 PolarHBondContact O-N 3.07Å; K2-N4 VanDerWaalsContact O-N 3.13Å; N4-D6 PolarHBondContact O-N 3.04Å; N4-D6 VanDerWaalsContact O-N 3.08Å; N4-S7 VanDerWaalsContact O-CB 3.23Å; N4-S7 WeakPolarHBondContact O-CB 3.48Å; N4-S7 PolarHBondContact O-N 3.07Å
5P51.8Low66.2Low101 Ų10198.4 Ų98.466%0.65653%0.532SS*.THydrogen-bonded Turntrans-62-19-174.919.3-28.3000112.5S3S3-P5 VanDerWaalsContact O-CD 3.31Å; S3-P5 WeakPolarHBondContact O-CD 3.49Å; S3-P5 VanDerWaalsContact O-N 3.08Å
6D53.4Low67.8Low145 Ų14595 Ų9578%0.77551%0.512SS*.THydrogen-bonded Turntrans-90.82.5173.9-64.5-26.7000113.9N4 P8N4-D6 PolarHBondContact O-N 3.04Å; N4-D6 VanDerWaalsContact O-N 3.08Å; D6-P8 WeakPolarHBondContact O-CD 3.47Å
7S59.7Low69.2Low45 Ų4589.9 Ų89.932%0.31548%0.484SS..  trans-69.3123.8169.5175.20000108.4N4 I9N4-S7 VanDerWaalsContact O-CB 3.23Å; N4-S7 WeakPolarHBondContact O-CB 3.48Å; N4-S7 PolarHBondContact O-N 3.07Å; S7-I9 PolarHBondContact O-N 3.11Å; S7-I9 PolarHBondContact OG-N 3.06Å; S7-I9 PolarHBondContact OG-O 2.95Å
8P68.1Low70.3Confident81 Ų8184.9 Ų84.953%0.52646%0.457SS..SBendtrans-63.9-9177.625.6-33000112.7D6 V38 C39D6-P8 WeakPolarHBondContact O-CD 3.47Å; P8-V38 CarbonylContact O-C 3.6Å; P8-V38 VanDerWaalsContact O-CA 3.25Å; P8-V38 WeakPolarHBondContact O-CA 3.27Å; P8-C39 PolarHBondContact O-N 2.78Å
9I77.5Confident71.3Confident91 Ų9181.2 Ų81.247%0.46744%0.436SS..EExtended strand (participates in β ladder)trans-122.9123.3179.2-51.6177.5000109.1S7 T36 V38S7-I9 PolarHBondContact O-N 3.11Å; S7-I9 PolarHBondContact OG-N 3.06Å; S7-I9 PolarHBondContact OG-O 2.95Å; I9-T36 HydrophobicContact CG2-CG2 3.45Å; I9-T36 VanDerWaalsContact CG2-CG2 3.45Å; I9-V38 HydrophobicContact CG1-CG1 4.3Å; I9-V38 HydrophobicContact CG1-CG2 4.22Å; I9-V38 HydrophobicContact CG2-CG2 4.46Å
10I78.3Confident72.2Confident10 Ų1077.3 Ų77.35%0.05142%0.415CS..EExtended strand (participates in β ladder)trans-120.2134172.7-162.1164.9000110.4I12 I18 T36 Y37 I45 P49I10-I12 HydrophobicContact CG2-CG1 4.32Å; I10-I18 HydrophobicContact CD1-CG2 4.47Å; I10-I18 HydrophobicContact CG2-CD1 3.8Å; I10-T36 CarbonylContact O-C 3.56Å; I10-T36 WeakPolarHBondContact O-CA 3.34Å; I10-Y37 PolarHBondContact N-O 3.42Å; I10-Y37 PolarHBondContact O-N 3.32Å; I10-I45 HydrophobicContact CB-CD1 4Å; I10-I45 HydrophobicContact CD1-CD1 3.67Å; I10-I45 HydrophobicContact CG1-CD1 4.46Å; I10-I45 HydrophobicContact CG2-CD1 3.67Å; I10-P49 HydrophobicContact CD1-CG 3.87Å; I10-P49 HydrophobicContact CG1-CG 4.42Å
11S83Confident72.9Confident80 Ų8075.2 Ų75.256%0.55940%0.404SS*.EExtended strand (participates in β ladder)trans-95.6107.1175.2-175.40000109.4S13S11-S13 PolarHBondContact O-N 3.03Å
12I85.4Confident75.3Confident2 Ų265 Ų651%0.0135%0.354CS..EExtended strand (participates in β ladder)trans-84.6111.9178.3-47.7164000107.3I10 H16 I18 V31 P34 K35I10-I12 HydrophobicContact CG2-CG1 4.32Å; I12-H16 HydrophobicContact CG2-CB 3.99Å; I12-H16 VanDerWaalsContact CG2-O 3.28Å; I12-H16 WeakPolarHBondContact CG2-O 3.42Å; I12-I18 HydrophobicContact CD1-CD1 3.6Å; I12-I18 HydrophobicContact CD1-CG1 3.67Å; I12-I18 HydrophobicContact CG1-CD1 4.02Å; I12-I18 HydrophobicContact CG1-CG1 4.22Å; I12-I18 HydrophobicContact CG1-CG2 4.28Å; I12-V31 HydrophobicContact CD1-CB 3.97Å; I12-V31 HydrophobicContact CD1-CG1 3.44Å; I12-V31 VanDerWaalsContact CD1-CG1 3.44Å; I12-P34 WeakPolarHBondContact O-CA 3.35Å; I12-K35 VanDerWaalsContact CB-O 3.27Å; I12-K35 WeakPolarHBondContact CB-O 3.42Å; I12-K35 WeakPolarHBondContact CG1-O 3.21Å; I12-K35 PolarHBondContact N-O 2.81Å; I12-K35 PolarHBondContact O-N 2.8Å; I12-K35 VanDerWaalsContact O-N 3.14Å
13S87.2Confident77.3Confident58 Ų5858.6 Ų58.641%0.40633%0.329SS..  trans-65.4160.1179.9-71.40000112.2S11 R15 H16S11-S13 PolarHBondContact O-N 3.03Å; S13-R15 PolarHBondContact O-N 2.71Å; S13-H16 WeakPolarHBondContact O-CB 3.36Å; S13-H16 PolarHBondContact O-N 3.42Å; S13-H16 VanDerWaalsContact O-N 3.11Å
14P86.6Confident79.1Confident84 Ų8462 Ų6255%0.54534%0.344SS..THydrogen-bonded Turntrans-51.6139.7168.3-20.629.2000110.5H16 P34P14-H16 PolarHBondContact O-N 2.85Å; P14-H16 PolarHBondContact O-ND1 3.23Å; P14-H16 VanDerWaalsContact O-ND1 3.11Å; P14-P34 HydrophobicContact CB-CB 4.49Å; P14-P34 HydrophobicContact CG-CB 4Å
15R87.6Confident80.6Confident163 Ų16360.3 Ų60.362%0.61534%0.338SS*.THydrogen-bonded Turntrans59.225.6-176.7-55.9-174.6-73.5153.1-3.9115.4S13 L52S13-R15 PolarHBondContact O-N 2.71Å; R15-L52 VanDerWaalsContact CA-CD1 3.49Å; R15-L52 HydrophobicContact CB-CD1 3.86Å; R15-L52 HydrophobicContact CB-CG 4.22Å; R15-L52 HydrophobicContact CG-CD1 4.14Å; R15-L52 WeakPolarHBondContact O-CG 3.21Å; R15-L52 PolarHBondContact O-N 3.21Å
16H91.6Very high82.1Confident44 Ų4462.3 Ų62.320%0.20434%0.338CS..EExtended strand (participates in β ladder)trans-118.3157.1167.5-68.964.1000110.5I12 S13 P14 G33 P49 E50 E51I12-H16 HydrophobicContact CG2-CB 3.99Å; I12-H16 VanDerWaalsContact CG2-O 3.28Å; I12-H16 WeakPolarHBondContact CG2-O 3.42Å; S13-H16 WeakPolarHBondContact O-CB 3.36Å; S13-H16 PolarHBondContact O-N 3.42Å; S13-H16 VanDerWaalsContact O-N 3.11Å; P14-H16 PolarHBondContact O-N 2.85Å; P14-H16 PolarHBondContact O-ND1 3.23Å; P14-H16 VanDerWaalsContact O-ND1 3.11Å; H16-G33 PolarHBondContact O-N 3.13Å; H16-P49 HydrophobicContact CB-CB 4.34Å; H16-E50 CarbonylContact C-O 3.5Å; H16-E50 WeakPolarHBondContact CA-O 3.47Å; H16-E50 WeakPolarHBondContact CB-O 3.08Å; H16-E51 WeakPolarHBondContact NE2-CG 3.45Å
17Y91.3Very high83.6Confident9 Ų955.9 Ų55.94%0.03530%0.304CS..EExtended strand (participates in β ladder)trans-137.9159.5173.271.9-82.4000111.5H19 L30 V31 L47 P49 E50 E51 L52 P100 L101Y17-H19 AromaticContact CD2-CD2 3.97Å; Y17-H19 AromaticContact CD2-NE2 3.86Å; Y17-H19 AromaticContact CE2-NE2 3.51Å; Y17-L30 HydrophobicContact CD2-CD1 3.3Å; Y17-L30 HydrophobicContact CE2-CD1 4.15Å; Y17-L30 HydrophobicContact CG-CD1 3.88Å; Y17-V31 CarbonylContact C-O 3.57Å; Y17-V31 VanDerWaalsContact CA-O 3.22Å; Y17-V31 WeakPolarHBondContact CA-O 3.46Å; Y17-V31 WeakPolarHBondContact CB-O 3.43Å; Y17-L47 HydrophobicContact CE2-CD2 3.76Å; Y17-P49 WeakPolarHBondContact O-CA 3.38Å; Y17-E50 HydrophobicContact CD1-CB 4.28Å; Y17-E50 WeakPolarHBondContact CD1-O 3.05Å; Y17-E50 HydrophobicContact CE1-CB 3.72Å; Y17-E50 HydrophobicContact CE2-CB 4.39Å; Y17-E50 PolarHBondContact N-O 3.06Å; Y17-E50 PolarHBondContact O-N 3.1Å; Y17-E51 WeakPolarHBondContact CE1-O 3.42Å; Y17-L52 HydrophobicContact CD1-CD2 3.94Å; Y17-P100 HydrophobicContact CD1-CB 3.72Å; Y17-P100 HydrophobicContact CD2-CB 4.07Å; Y17-P100 HydrophobicContact CE1-CB 4.18Å; Y17-P100 HydrophobicContact CE2-CB 4.48Å; Y17-P100 HydrophobicContact CG-CB 3.65Å; Y17-L101 WeakPolarHBondContact CE2-O 3.44Å
18I89.9Confident84.9Confident0 Ų055 Ų550%030%0.297CS..EExtended strand (participates in β ladder)trans-130156.4172.661.9173000110I10 I12 V20 V31 Y37 I45 L47 P49I10-I18 HydrophobicContact CD1-CG2 4.47Å; I10-I18 HydrophobicContact CG2-CD1 3.8Å; I12-I18 HydrophobicContact CD1-CD1 3.6Å; I12-I18 HydrophobicContact CD1-CG1 3.67Å; I12-I18 HydrophobicContact CG1-CD1 4.02Å; I12-I18 HydrophobicContact CG1-CG1 4.22Å; I12-I18 HydrophobicContact CG1-CG2 4.28Å; I18-V20 HydrophobicContact CD1-CG2 3.65Å; I18-V20 HydrophobicContact CG1-CG2 4Å; I18-V31 HydrophobicContact CD1-CB 4.33Å; I18-V31 HydrophobicContact CG1-CB 3.78Å; I18-V31 HydrophobicContact CG1-CG2 4.36Å; I18-V31 PolarHBondContact N-O 3.32Å; I18-V31 PolarHBondContact O-N 2.75Å; I18-Y37 HydrophobicContact CD1-CD1 4.27Å; I18-Y37 HydrophobicContact CD1-CG 4.32Å; I18-I45 HydrophobicContact CB-CG2 4.32Å; I18-I45 HydrophobicContact CD1-CD1 4.29Å; I18-I45 HydrophobicContact CD1-CG1 4.45Å; I18-L47 CarbonylContact C-O 3.4Å; I18-L47 VanDerWaalsContact CA-O 3.25Å; I18-L47 WeakPolarHBondContact CA-O 3.29Å; I18-L47 WeakPolarHBondContact CB-O 3.43Å; I18-P49 HydrophobicContact CG2-CB 4.17Å; I18-P49 HydrophobicContact CG2-CG 4.24Å
19H89.6Confident85.7Confident14 Ų1454 Ų547%0.06529%0.291CS..EExtended strand (participates in β ladder)trans-107128.6165.5-64.5171.6000109.7Y17 T28 S29 I45 V46 L47 L101 P103Y17-H19 AromaticContact CD2-CD2 3.97Å; Y17-H19 AromaticContact CD2-NE2 3.86Å; Y17-H19 AromaticContact CE2-NE2 3.51Å; H19-T28 HydrophobicContact CB-CG2 3.7Å; H19-S29 CarbonylContact C-O 3.38Å; H19-S29 WeakPolarHBondContact CA-O 3.31Å; H19-I45 WeakPolarHBondContact O-CA 3.27Å; H19-V46 PolarHBondContact O-N 3.14Å; H19-L47 HydrophobicContact CB-CB 3.7Å; H19-L47 VanDerWaalsContact CE1-CD2 3.45Å; H19-L47 WeakPolarHBondContact CE1-CD2 3.28Å; H19-L47 PolarHBondContact N-O 3.32Å; H19-L47 WeakPolarHBondContact ND1-CD2 3.34Å; H19-L47 PolarHBondContact O-N 3.35Å; H19-L101 PolarHBondContact CE1-O 3.48Å; H19-L101 PolarHBondContact NE2-O 3.03Å; H19-P103 VanDerWaalsContact CE1-CA 3.45Å; H19-P103 WeakPolarHBondContact CE1-CA 3.36Å
20V88.7Confident86.2Confident2 Ų251.4 Ų51.41%0.01228%0.279CS..EExtended strand (participates in β ladder)trans-117.6116.7-178.6-174.90000108.9I18 T28 S29 V31 Y37 E43 K44 I45I18-V20 HydrophobicContact CD1-CG2 3.65Å; I18-V20 HydrophobicContact CG1-CG2 4Å; V20-T28 CarbonylContact O-C 3.54Å; V20-T28 WeakPolarHBondContact O-CA 3.33Å; V20-S29 PolarHBondContact N-O 3.47Å; V20-S29 PolarHBondContact O-N 3.43Å; V20-V31 HydrophobicContact CG2-CG2 4.05Å; V20-Y37 HydrophobicContact CB-CE1 4.49Å; V20-Y37 HydrophobicContact CG1-CE1 4.04Å; V20-Y37 HydrophobicContact CG2-CD1 4.26Å; V20-Y37 HydrophobicContact CG2-CE1 3.87Å; V20-E43 HydrophobicContact CG1-CB 3.77Å; V20-E43 HydrophobicContact CG1-CG 4.14Å; V20-K44 CarbonylContact C-O 3.54Å; V20-I45 HydrophobicContact CG2-CG1 4.42Å
21L87.4Confident86.7Confident34 Ų3451.7 Ų51.718%0.17828%0.281CS..EExtended strand (participates in β ladder)trans-87.4121.2173174.768.3000109.6L23 H26 V27 T28 E43 K44 V46L21-L23 HydrophobicContact CD2-CD2 4.24Å; L21-H26 VanDerWaalsContact CD1-C 3.46Å; L21-H26 WeakPolarHBondContact CD1-O 3.48Å; L21-V27 WeakPolarHBondContact CA-O 3.34Å; L21-T28 WeakPolarHBondContact CD1-OG1 3.39Å; L21-E43 CarbonylContact O-C 3.5Å; L21-E43 WeakPolarHBondContact O-CA 3.46Å; L21-K44 PolarHBondContact N-O 2.91Å; L21-K44 PolarHBondContact O-N 3.04Å; L21-V46 HydrophobicContact CB-CG2 3.41Å; L21-V46 VanDerWaalsContact CB-CG2 3.41Å
22N86.5Confident86.9Confident27 Ų2751 Ų5114%0.14427%0.273CS..EExtended strand (participates in β ladder)trans-79123.9164.2-174.6-65.1000109N24 T25 H26 V27 D42N22-N24 VanDerWaalsContact C-N 3.33Å; N22-N24 WeakPolarHBondContact OD1-CA 3.47Å; N22-N24 WeakPolarHBondContact OD1-CB 3.49Å; N22-N24 PolarHBondContact OD1-N 3.37Å; N22-T25 WeakPolarHBondContact CB-OG1 3.18Å; N22-T25 PolarHBondContact OD1-N 3.43Å; N22-T25 VanDerWaalsContact OD1-N 3.08Å; N22-T25 PolarHBondContact OD1-OG1 2.97Å; N22-H26 WeakPolarHBondContact O-CA 3.44Å; N22-H26 PolarHBondContact O-N 3.43Å; N22-V27 PolarHBondContact N-O 3.27Å; N22-D42 CarbonylContact C-O 3.47Å; N22-D42 WeakPolarHBondContact CA-O 3.39Å; N22-D42 PolarHBondContact ND2-OD2 3.03Å
23L83.6Confident87Confident79 Ų7951.6 Ų51.641%0.41428%0.28SS..THydrogen-bonded Turntrans-73.3-22.6-176.1-62.2175.2000113L21 D42 K44L21-L23 HydrophobicContact CD2-CD2 4.24Å; L23-D42 PolarHBondContact N-O 2.94Å; L23-K44 HydrophobicContact CD2-CB 4.26Å
24N83.9Confident87Confident121 Ų12153.7 Ų53.765%0.64729%0.292SS*.THydrogen-bonded Turntrans-81.9-43.6178.1-66.9-35.8000111.7N22 D42N22-N24 VanDerWaalsContact C-N 3.33Å; N22-N24 WeakPolarHBondContact OD1-CA 3.47Å; N22-N24 WeakPolarHBondContact OD1-CB 3.49Å; N22-N24 PolarHBondContact OD1-N 3.37Å; N24-D42 WeakPolarHBondContact ND2-CB 3.47Å; N24-D42 PolarHBondContact ND2-OD2 3.49Å
25T81.5Confident86.8Confident77 Ų7755.3 Ų55.347%0.47229%0.291SS..THydrogen-bonded Turntrans-93.5-12.8-178.5610000113N22 V27N22-T25 WeakPolarHBondContact CB-OG1 3.18Å; N22-T25 PolarHBondContact OD1-N 3.43Å; N22-T25 VanDerWaalsContact OD1-N 3.08Å; N22-T25 PolarHBondContact OD1-OG1 2.97Å; T25-V27 PolarHBondContact O-N 2.81Å; T25-V27 WeakPolarHBondContact OG1-CB 3.5Å; T25-V27 PolarHBondContact OG1-N 3.47Å
26H82.4Confident86.7Confident142 Ų14251.7 Ų51.766%0.65729%0.286SS*.  trans55.625.9-169.2-67.7-65.3000114L21 N22L21-H26 VanDerWaalsContact CD1-C 3.46Å; L21-H26 WeakPolarHBondContact CD1-O 3.48Å; N22-H26 WeakPolarHBondContact O-CA 3.44Å; N22-H26 PolarHBondContact O-N 3.43Å
27V85.1Confident86.3Confident10 Ų1051.3 Ų51.36%0.06128%0.284CS..  trans-97128.2-178.4174.20000109.8L21 N22 T25 F80 Q82L21-V27 WeakPolarHBondContact CA-O 3.34Å; N22-V27 PolarHBondContact N-O 3.27Å; T25-V27 PolarHBondContact O-N 2.81Å; T25-V27 WeakPolarHBondContact OG1-CB 3.5Å; T25-V27 PolarHBondContact OG1-N 3.47Å; V27-F80 HydrophobicContact CG2-CB 3.93Å; V27-F80 WeakPolarHBondContact CG2-O 3.4Å; V27-Q82 HydrophobicContact CG1-CB 4.29Å; V27-Q82 HydrophobicContact CG2-CB 4.43Å
28T87.3Confident86Confident28 Ų2854.4 Ų54.417%0.17230%0.303CS..EExtended strand (participates in β ladder)trans-98.4117.6176.3-50.70000109.9H19 V20 L21 V46 Q82 P103H19-T28 HydrophobicContact CB-CG2 3.7Å; V20-T28 CarbonylContact O-C 3.54Å; V20-T28 WeakPolarHBondContact O-CA 3.33Å; L21-T28 WeakPolarHBondContact CD1-OG1 3.39Å; T28-V46 HydrophobicContact CG2-CG2 4.05Å; T28-Q82 PolarHBondContact O-OE1 3.49Å; T28-P103 HydrophobicContact CG2-CB 3.87Å; T28-P103 HydrophobicContact CG2-CG 3.83Å
29S85.1Confident85.5Confident58 Ų5855.4 Ų55.441%0.40631%0.31SS..EExtended strand (participates in β ladder)trans-105.4147.2-178.8-58.80000111.1H19 V20H19-S29 CarbonylContact C-O 3.38Å; H19-S29 WeakPolarHBondContact CA-O 3.31Å; V20-S29 PolarHBondContact N-O 3.47Å; V20-S29 PolarHBondContact O-N 3.43Å
30L88.7Confident85.2Confident38 Ų3860.2 Ų60.220%0.19933%0.332CS..EExtended strand (participates in β ladder)trans-91.4131.9174.4173.969.3000110Y17 V32 P100 Y102Y17-L30 HydrophobicContact CD2-CD1 3.3Å; Y17-L30 HydrophobicContact CE2-CD1 4.15Å; Y17-L30 HydrophobicContact CG-CD1 3.88Å; L30-V32 HydrophobicContact CD1-CG2 4.46Å; L30-V32 HydrophobicContact CD2-CG2 4.11Å; L30-V32 HydrophobicContact CG-CG2 4.09Å; L30-P100 HydrophobicContact CD1-CB 3.99Å; L30-P100 HydrophobicContact CD2-CB 3.93Å; L30-P100 HydrophobicContact CD2-CG 3.62Å; L30-Y102 HydrophobicContact CB-CD1 4.36Å; L30-Y102 HydrophobicContact CB-CE1 4.47Å; L30-Y102 HydrophobicContact CD2-CD1 3.73Å; L30-Y102 HydrophobicContact CD2-CE1 3.45Å; L30-Y102 VanDerWaalsContact CD2-CE1 3.45Å; L30-Y102 HydrophobicContact CD2-CE2 4.43Å; L30-Y102 HydrophobicContact CD2-CG 4.32Å
31V88.1Confident84.8Confident16 Ų1669.6 Ų69.610%0.09738%0.376CS..EExtended strand (participates in β ladder)trans-123.9118.8171.9-171.40000109.4I12 Y17 I18 V20 K35 Y37I12-V31 HydrophobicContact CD1-CB 3.97Å; I12-V31 HydrophobicContact CD1-CG1 3.44Å; I12-V31 VanDerWaalsContact CD1-CG1 3.44Å; Y17-V31 CarbonylContact C-O 3.57Å; Y17-V31 VanDerWaalsContact CA-O 3.22Å; Y17-V31 WeakPolarHBondContact CA-O 3.46Å; Y17-V31 WeakPolarHBondContact CB-O 3.43Å; I18-V31 HydrophobicContact CD1-CB 4.33Å; I18-V31 HydrophobicContact CG1-CB 3.78Å; I18-V31 HydrophobicContact CG1-CG2 4.36Å; I18-V31 PolarHBondContact N-O 3.32Å; I18-V31 PolarHBondContact O-N 2.75Å; V20-V31 HydrophobicContact CG2-CG2 4.05Å; V31-K35 HydrophobicContact CG1-CD 4.31Å; V31-Y37 HydrophobicContact CB-CD2 4.45Å; V31-Y37 HydrophobicContact CG1-CD2 3.84Å; V31-Y37 HydrophobicContact CG1-CE2 4.42Å; V31-Y37 HydrophobicContact CG1-CG 4.47Å; V31-Y37 HydrophobicContact CG2-CD2 3.98Å; V31-Y37 HydrophobicContact CG2-CE2 3.82Å
32V88.1Confident84.7Confident64 Ų6470.3 Ų70.339%0.38838%0.38SS..EExtended strand (participates in β ladder)trans-99.4139.1179-172.30000109.8L30 L52 P100L30-V32 HydrophobicContact CD1-CG2 4.46Å; L30-V32 HydrophobicContact CD2-CG2 4.11Å; L30-V32 HydrophobicContact CG-CG2 4.09Å; V32-L52 HydrophobicContact CG1-CD2 4.38Å; V32-P100 HydrophobicContact CG2-CB 4.3Å; V32-P100 HydrophobicContact CG2-CG 3.95Å
33G86Confident84.7Confident15 Ų1571 Ų7116%0.15538%0.382CS..SBendtrans-78.7172.7175.100000113.7H16H16-G33 PolarHBondContact O-N 3.13Å
34P87.1Confident84.7Confident103 Ų10373.2 Ų73.267%0.66939%0.389SS*.SBendcis-82.6116.43.530.4-31.5000112.3I12 P14I12-P34 WeakPolarHBondContact O-CA 3.35Å; P14-P34 HydrophobicContact CB-CB 4.49Å; P14-P34 HydrophobicContact CG-CB 4Å
35K83.9Confident84.8Confident118 Ų11869.1 Ų69.151%0.51337%0.366SS..EExtended strand (participates in β ladder)trans-153.8133.3-179.9-170.6174.7-179.4-178.90110I12 V31 Y37I12-K35 VanDerWaalsContact CB-O 3.27Å; I12-K35 WeakPolarHBondContact CB-O 3.42Å; I12-K35 WeakPolarHBondContact CG1-O 3.21Å; I12-K35 PolarHBondContact N-O 2.81Å; I12-K35 PolarHBondContact O-N 2.8Å; I12-K35 VanDerWaalsContact O-N 3.14Å; V31-K35 HydrophobicContact CG1-CD 4.31Å; K35-Y37 PolarHBondContact O-N 3.1Å
36T84.8Confident85Confident86 Ų8669.4 Ų69.453%0.52837%0.368SS..EExtended strand (participates in β ladder)trans-80.6111.5164.9-500000107.5I9 I10I9-T36 HydrophobicContact CG2-CG2 3.45Å; I9-T36 VanDerWaalsContact CG2-CG2 3.45Å; I10-T36 CarbonylContact O-C 3.56Å; I10-T36 WeakPolarHBondContact O-CA 3.34Å
37Y83.3Confident85.1Confident37 Ų3765.7 Ų65.715%0.14535%0.353CS..EExtended strand (participates in β ladder)trans-98.5130.1179.6-168.5-92.8000109.7I10 I18 V20 V31 K35 E43I10-Y37 PolarHBondContact N-O 3.42Å; I10-Y37 PolarHBondContact O-N 3.32Å; I18-Y37 HydrophobicContact CD1-CD1 4.27Å; I18-Y37 HydrophobicContact CD1-CG 4.32Å; V20-Y37 HydrophobicContact CB-CE1 4.49Å; V20-Y37 HydrophobicContact CG1-CE1 4.04Å; V20-Y37 HydrophobicContact CG2-CD1 4.26Å; V20-Y37 HydrophobicContact CG2-CE1 3.87Å; V31-Y37 HydrophobicContact CB-CD2 4.45Å; V31-Y37 HydrophobicContact CG1-CD2 3.84Å; V31-Y37 HydrophobicContact CG1-CE2 4.42Å; V31-Y37 HydrophobicContact CG1-CG 4.47Å; V31-Y37 HydrophobicContact CG2-CD2 3.98Å; V31-Y37 HydrophobicContact CG2-CE2 3.82Å; K35-Y37 PolarHBondContact O-N 3.1Å; Y37-E43 WeakPolarHBondContact CE1-OE2 3.28Å; Y37-E43 PolarHBondContact OH-OE1 3.15Å; Y37-E43 VanDerWaalsContact OH-OE1 3.07Å; Y37-E43 PolarHBondContact OH-OE2 2.74Å
38V85.2Confident84.8Confident74 Ų7466.7 Ų66.745%0.44837%0.365SS..EExtended strand (participates in β ladder)trans-104.3109175.7-175.90000107.1P8 I9 Q40P8-V38 CarbonylContact O-C 3.6Å; P8-V38 VanDerWaalsContact O-CA 3.25Å; P8-V38 WeakPolarHBondContact O-CA 3.27Å; I9-V38 HydrophobicContact CG1-CG1 4.3Å; I9-V38 HydrophobicContact CG1-CG2 4.22Å; I9-V38 HydrophobicContact CG2-CG2 4.46Å; V38-Q40 PolarHBondContact O-N 3.02Å
39C79.2Confident84.7Confident20 Ų2067.9 Ų67.914%0.13537%0.373CS..  trans-67.1123.1175.4-115.30000109.4P8P8-C39 PolarHBondContact O-N 2.78Å
40Q83.9Confident84.8Confident115 Ų11569.9 Ų69.954%0.53738%0.376SS..  trans-70.4165.8172.4-60.4-65.3-25.400111V38 D42 E43V38-Q40 PolarHBondContact O-N 3.02Å; Q40-D42 VanDerWaalsContact CB-OD1 3.27Å; Q40-D42 WeakPolarHBondContact CB-OD1 3.47Å; Q40-D42 PolarHBondContact O-N 2.95Å; Q40-E43 HydrophobicContact CB-CB 4.44Å; Q40-E43 HydrophobicContact CB-CG 4.11Å; Q40-E43 PolarHBondContact N-OE2 3.46Å; Q40-E43 PolarHBondContact O-N 3.5Å
41Q80.9Confident84.9Confident199 Ų19974.4 Ų74.493%0.9340%0.396SS*.THydrogen-bonded Turntrans-59-28.7179.5-76.7-178-17.300113.2
42D84.5Confident85Confident49 Ų4974.7 Ų74.726%0.26240%0.397SS..THydrogen-bonded Turntrans-94.514.117764.6-41.9000113.3N22 L23 N24 Q40N22-D42 CarbonylContact C-O 3.47Å; N22-D42 WeakPolarHBondContact CA-O 3.39Å; N22-D42 PolarHBondContact ND2-OD2 3.03Å; L23-D42 PolarHBondContact N-O 2.94Å; N24-D42 WeakPolarHBondContact ND2-CB 3.47Å; N24-D42 PolarHBondContact ND2-OD2 3.49Å; Q40-D42 VanDerWaalsContact CB-OD1 3.27Å; Q40-D42 WeakPolarHBondContact CB-OD1 3.47Å; Q40-D42 PolarHBondContact O-N 2.95Å
43E85.9Confident85.1Confident42 Ų4272.4 Ų72.420%0.19638%0.383CS..EExtended strand (participates in β ladder)trans-121.1144.7179.2-69.3-178.8165.600111.9V20 L21 Y37 Q40V20-E43 HydrophobicContact CG1-CB 3.77Å; V20-E43 HydrophobicContact CG1-CG 4.14Å; L21-E43 CarbonylContact O-C 3.5Å; L21-E43 WeakPolarHBondContact O-CA 3.46Å; Y37-E43 WeakPolarHBondContact CE1-OE2 3.28Å; Y37-E43 PolarHBondContact OH-OE1 3.15Å; Y37-E43 VanDerWaalsContact OH-OE1 3.07Å; Y37-E43 PolarHBondContact OH-OE2 2.74Å; Q40-E43 HydrophobicContact CB-CB 4.44Å; Q40-E43 HydrophobicContact CB-CG 4.11Å; Q40-E43 PolarHBondContact N-OE2 3.46Å; Q40-E43 PolarHBondContact O-N 3.5Å
44K84.7Confident85.4Confident126 Ų12675.1 Ų75.155%0.54840%0.396SS..EExtended strand (participates in β ladder)trans-136.3129.9176.9-177.7177.8179.7179.20110.6V20 L21 L23 V46V20-K44 CarbonylContact C-O 3.54Å; L21-K44 PolarHBondContact N-O 2.91Å; L21-K44 PolarHBondContact O-N 3.04Å; L23-K44 HydrophobicContact CD2-CB 4.26Å; K44-V46 PolarHBondContact O-N 2.92Å
45I85.1Confident85.6Confident34 Ų3470.4 Ų70.417%0.17437%0.366CS..EExtended strand (participates in β ladder)trans-72.7123.7172.4-55174.6000108.7I10 I18 H19 V20I10-I45 HydrophobicContact CB-CD1 4Å; I10-I45 HydrophobicContact CD1-CD1 3.67Å; I10-I45 HydrophobicContact CG1-CD1 4.46Å; I10-I45 HydrophobicContact CG2-CD1 3.67Å; I18-I45 HydrophobicContact CB-CG2 4.32Å; I18-I45 HydrophobicContact CD1-CD1 4.29Å; I18-I45 HydrophobicContact CD1-CG1 4.45Å; H19-I45 WeakPolarHBondContact O-CA 3.27Å; V20-I45 HydrophobicContact CG2-CG1 4.42Å
46V85.6Confident86Confident84 Ų8467.6 Ų67.651%0.50936%0.36SS..EExtended strand (participates in β ladder)trans-105.3-31.7-178.1-129.70000112.4H19 L21 T28 K44H19-V46 PolarHBondContact O-N 3.14Å; L21-V46 HydrophobicContact CB-CG2 3.41Å; L21-V46 VanDerWaalsContact CB-CG2 3.41Å; T28-V46 HydrophobicContact CG2-CG2 4.05Å; K44-V46 PolarHBondContact O-N 2.92Å
47L84.9Confident86.4Confident64 Ų6469.3 Ų69.334%0.33537%0.37SS..EExtended strand (participates in β ladder)trans-137.3142.7179.2-167.988.9000109.3Y17 I18 H19 E50Y17-L47 HydrophobicContact CE2-CD2 3.76Å; I18-L47 CarbonylContact C-O 3.4Å; I18-L47 VanDerWaalsContact CA-O 3.25Å; I18-L47 WeakPolarHBondContact CA-O 3.29Å; I18-L47 WeakPolarHBondContact CB-O 3.43Å; H19-L47 HydrophobicContact CB-CB 3.7Å; H19-L47 VanDerWaalsContact CE1-CD2 3.45Å; H19-L47 WeakPolarHBondContact CE1-CD2 3.28Å; H19-L47 PolarHBondContact N-O 3.32Å; H19-L47 WeakPolarHBondContact ND1-CD2 3.34Å; H19-L47 PolarHBondContact O-N 3.35Å; L47-E50 HydrophobicContact CD2-CG 4.36Å; L47-E50 HydrophobicContact CG-CG 4.27Å
48G78Confident86.7Confident31 Ų3172.6 Ų72.632%0.3239%0.388SS..EExtended strand (participates in β ladder)trans97.9177.4169.200000115.5E50G48-E50 VanDerWaalsContact CA-N 3.3Å
49P85Confident87.1Confident52 Ų5272.3 Ų72.334%0.33838%0.383SS..EExtended strand (participates in β ladder)cis-69.6121.37.5-12.327.4000112.4I10 H16 Y17 I18I10-P49 HydrophobicContact CD1-CG 3.87Å; I10-P49 HydrophobicContact CG1-CG 4.42Å; H16-P49 HydrophobicContact CB-CB 4.34Å; Y17-P49 WeakPolarHBondContact O-CA 3.38Å; I18-P49 HydrophobicContact CG2-CB 4.17Å; I18-P49 HydrophobicContact CG2-CG 4.24Å
50E88.9Confident87.8Confident100 Ų10072.5 Ų72.547%0.46738%0.381SS..EExtended strand (participates in β ladder)trans-106148.4174.8-83-66167.100109.9H16 Y17 L47 G48H16-E50 CarbonylContact C-O 3.5Å; H16-E50 WeakPolarHBondContact CA-O 3.47Å; H16-E50 WeakPolarHBondContact CB-O 3.08Å; Y17-E50 HydrophobicContact CD1-CB 4.28Å; Y17-E50 WeakPolarHBondContact CD1-O 3.05Å; Y17-E50 HydrophobicContact CE1-CB 3.72Å; Y17-E50 HydrophobicContact CE2-CB 4.39Å; Y17-E50 PolarHBondContact N-O 3.06Å; Y17-E50 PolarHBondContact O-N 3.1Å; L47-E50 HydrophobicContact CD2-CG 4.36Å; L47-E50 HydrophobicContact CG-CG 4.27Å; G48-E50 VanDerWaalsContact CA-N 3.3Å
51E90Very high88.3Confident134 Ų13467.1 Ų67.163%0.62636%0.356SS*.EExtended strand (participates in β ladder)trans-72.4144.8175.3-73.7-172.8174.900111H16 Y17 T53H16-E51 WeakPolarHBondContact NE2-CG 3.45Å; Y17-E51 WeakPolarHBondContact CE1-O 3.42Å; E51-T53 PolarHBondContact O-N 3.09Å
52L91Very high88.8Confident21 Ų2158.3 Ų58.311%0.1132%0.316CS..PPolyproline II helixtrans-59.2138.6169.4-65.3176.9000109.7R15 Y17 V32 V54 P98 F99 P100R15-L52 VanDerWaalsContact CA-CD1 3.49Å; R15-L52 HydrophobicContact CB-CD1 3.86Å; R15-L52 HydrophobicContact CB-CG 4.22Å; R15-L52 HydrophobicContact CG-CD1 4.14Å; R15-L52 WeakPolarHBondContact O-CG 3.21Å; R15-L52 PolarHBondContact O-N 3.21Å; Y17-L52 HydrophobicContact CD1-CD2 3.94Å; V32-L52 HydrophobicContact CG1-CD2 4.38Å; L52-V54 PolarHBondContact O-N 3.45Å; L52-P98 HydrophobicContact CB-CB 3.76Å; L52-P98 HydrophobicContact CD1-CB 4.05Å; L52-F99 VanDerWaalsContact CD2-C 3.49Å; L52-P100 HydrophobicContact CD2-CB 3.6Å; L52-P100 HydrophobicContact CD2-CG 4.09Å; L52-P100 VanDerWaalsContact CD2-N 3.27Å
53T90.4Very high89.2Confident16 Ų1656 Ų5610%0.09830%0.303CS..EExtended strand (participates in β ladder)trans-67.9121.5176.8-58.30000109.1E51 V55 P98 F99 L107E51-T53 PolarHBondContact O-N 3.09Å; T53-V55 HydrophobicContact CG2-CG2 4.43Å; T53-P98 WeakPolarHBondContact O-CA 3.46Å; T53-F99 HydrophobicContact CG2-CE1 4.37Å; T53-F99 HydrophobicContact CG2-CE2 4.07Å; T53-F99 HydrophobicContact CG2-CZ 3.76Å; T53-F99 PolarHBondContact N-O 3.31Å; T53-F99 PolarHBondContact O-N 3.1Å; T53-L107 HydrophobicContact CG2-CD1 3.97Å; T53-L107 HydrophobicContact CG2-CD2 4.31Å
54V91.1Very high89.5Confident72 Ų7259.3 Ų59.344%0.43631%0.314SS..EExtended strand (participates in β ladder)trans-102.3125.4177-176.60000108.9L52 P98L52-V54 PolarHBondContact O-N 3.45Å; V54-P98 HydrophobicContact CG2-CB 4.16Å; V54-P98 HydrophobicContact CG2-CG 4.11Å
55V92.1Very high89.9Confident5 Ų555 Ų553%0.0330%0.297CS..EExtended strand (participates in β ladder)trans-112.9103.3173.4-174.80000108.2T53 M59 C61 A95 F99 V111T53-V55 HydrophobicContact CG2-CG2 4.43Å; V55-M59 HydrophobicContact CG1-CB 4.45Å; V55-M59 WeakPolarHBondContact CG1-O 3.47Å; V55-C61 HydrophobicContact CG2-CB 4.36Å; V55-C61 VanDerWaalsContact CG2-SG 3.56Å; V55-A95 WeakPolarHBondContact O-CA 3.42Å; V55-F99 HydrophobicContact CG2-CE1 3.88Å; V55-F99 HydrophobicContact CG2-CZ 4.22Å; V55-V111 HydrophobicContact CG1-CG1 4.47Å
56P92.3Very high90.2Very high59 Ų5953.3 Ų53.338%0.38329%0.288SS..  trans-64.5164.9178.5-22.334.2000113.1M59P56-M59 HydrophobicContact CB-CG 4.36Å; P56-M59 HydrophobicContact CB-SD 4.22Å; P56-M59 HydrophobicContact CG-SD 4.01Å; P56-M59 WeakPolarHBondContact O-CB 3.48Å; P56-M59 PolarHBondContact O-N 3.16Å; P56-M59 VanDerWaalsContact O-N 3.14Å
57T91.7Very high90.4Very high121 Ų12149.5 Ų49.574%0.74227%0.265SS*.THydrogen-bonded Turntrans-55.3141171.5-30.20000111M59T57-M59 PolarHBondContact O-N 2.95Å
58M90.5Very high90.5Very high107 Ų10749.4 Ų49.453%0.52726%0.264SS..THydrogen-bonded Turntrans61.518.3-175.2-62.9-68.1-175.600115.3L114 T151M58-L114 PolarHBondContact O-N 2.95Å; M58-L114 HydrophobicContact SD-CD1 4.26Å; M58-T151 HydrophobicContact SD-CG2 4.16Å
59M93.7Very high90.8Very high68 Ų6851.3 Ų51.334%0.33527%0.27SS..EExtended strand (participates in β ladder)trans-123.3163.8172.3-59.7-164.9166.900111.4V55 P56 T57 V111 R112V55-M59 HydrophobicContact CG1-CB 4.45Å; V55-M59 WeakPolarHBondContact CG1-O 3.47Å; P56-M59 HydrophobicContact CB-CG 4.36Å; P56-M59 HydrophobicContact CB-SD 4.22Å; P56-M59 HydrophobicContact CG-SD 4.01Å; P56-M59 WeakPolarHBondContact O-CB 3.48Å; P56-M59 PolarHBondContact O-N 3.16Å; P56-M59 VanDerWaalsContact O-N 3.14Å; T57-M59 PolarHBondContact O-N 2.95Å; M59-V111 HydrophobicContact CB-CG1 3.7Å; M59-V111 HydrophobicContact CG-CG1 4.45Å; M59-V111 HydrophobicContact SD-CG1 3.98Å; M59-R112 CarbonylContact C-O 3.48Å; M59-R112 WeakPolarHBondContact CA-O 3.42Å; M59-R112 WeakPolarHBondContact CB-O 3.47Å
60Y94Very high90.6Very high23 Ų2353.5 Ų53.59%0.0928%0.279CS..EExtended strand (participates in β ladder)trans-143.6159.6175.477-76.5000110.7V62 Y92 R93 R112 L114 P154Y60-V62 HydrophobicContact CD2-CG2 4.15Å; Y60-V62 HydrophobicContact CE2-CG2 3.83Å; Y60-Y92 AromaticContact CD2-CD1 3.79Å; Y60-Y92 HydrophobicContact CD2-CD1 3.79Å; Y60-Y92 HydrophobicContact CD2-CE1 4.28Å; Y60-Y92 AromaticContact CE2-CD1 3.83Å; Y60-Y92 HydrophobicContact CE2-CD1 3.83Å; Y60-Y92 AromaticContact CE2-CE1 3.83Å; Y60-Y92 HydrophobicContact CE2-CE1 3.83Å; Y60-R93 VanDerWaalsContact CA-O 3.29Å; Y60-R93 WeakPolarHBondContact CA-O 3.35Å; Y60-R112 HydrophobicContact CD1-CB 4.22Å; Y60-R112 WeakPolarHBondContact CD1-O 3.47Å; Y60-R112 HydrophobicContact CE1-CB 3.68Å; Y60-R112 PolarHBondContact N-O 3.42Å; Y60-R112 PolarHBondContact O-N 3.32Å; Y60-L114 HydrophobicContact CD1-CD2 3.72Å; Y60-L114 HydrophobicContact CD1-CG 4.43Å; Y60-L114 HydrophobicContact CG-CD2 4.16Å; Y60-P154 HydrophobicContact CD1-CG 4.41Å; Y60-P154 HydrophobicContact CE1-CG 3.92Å; Y60-P154 HydrophobicContact CE2-CB 4.19Å; Y60-P154 HydrophobicContact CE2-CG 4.13Å
61C93.1Very high90.1Very high2 Ų258.3 Ų58.31%0.01430%0.298CS..EExtended strand (participates in β ladder)trans-131.4161.2168.169.50000110.4V55 R93 L107 V111V55-C61 HydrophobicContact CG2-CB 4.36Å; V55-C61 VanDerWaalsContact CG2-SG 3.56Å; C61-R93 PolarHBondContact N-O 3.31Å; C61-R93 PolarHBondContact O-N 3.2Å; C61-L107 HydrophobicContact CB-CD2 3.7Å; C61-V111 HydrophobicContact CB-CG2 4.18Å
62V93.3Very high89.5Confident15 Ų1558.8 Ų58.89%0.09131%0.305CS..EExtended strand (participates in β ladder)trans-117.2123.7178.6-174.80000108.6Y60 E90 E91 Y92 K108Y60-V62 HydrophobicContact CD2-CG2 4.15Å; Y60-V62 HydrophobicContact CE2-CG2 3.83Å; V62-E90 HydrophobicContact CG1-CB 3.98Å; V62-E90 HydrophobicContact CG1-CG 4.38Å; V62-E91 WeakPolarHBondContact CA-O 3.49Å; V62-Y92 HydrophobicContact CG1-CD2 4.25Å; V62-Y92 HydrophobicContact CG1-CE2 3.89Å; V62-Y92 HydrophobicContact CG2-CD1 3.72Å; V62-Y92 HydrophobicContact CG2-CD2 4.37Å; V62-Y92 HydrophobicContact CG2-CE1 3.48Å; V62-Y92 VanDerWaalsContact CG2-CE1 3.48Å; V62-Y92 HydrophobicContact CG2-CE2 4.12Å; V62-Y92 HydrophobicContact CG2-CG 4.17Å; V62-K108 HydrophobicContact CB-CB 4.07Å; V62-K108 HydrophobicContact CB-CD 4.21Å; V62-K108 HydrophobicContact CG1-CB 4.18Å; V62-K108 HydrophobicContact CG1-CD 3.8Å; V62-K108 WeakPolarHBondContact O-CB 3.48Å; V62-K108 PolarHBondContact O-N 3.06Å
63I92.7Very high88.5Confident0 Ų060 Ų600%032%0.322CS..EExtended strand (participates in β ladder)trans-104.8128.6-180-60.5173.5000108.3E90 E91 R93 F99 L101 E105 T106 L107I63-E90 CarbonylContact O-C 3.54Å; I63-E90 VanDerWaalsContact O-CA 3.3Å; I63-E90 WeakPolarHBondContact O-CA 3.15Å; I63-E91 PolarHBondContact N-O 3.02Å; I63-E91 PolarHBondContact O-N 3.45Å; I63-R93 VanDerWaalsContact CD1-CD 3.41Å; I63-R93 HydrophobicContact CD1-CG 3.81Å; I63-F99 HydrophobicContact CD1-CE2 3.55Å; I63-F99 HydrophobicContact CD1-CZ 3.92Å; I63-L101 HydrophobicContact CD1-CD2 4.1Å; I63-L101 HydrophobicContact CG1-CD2 4.36Å; I63-L101 HydrophobicContact CG2-CD2 4.44Å; I63-E105 HydrophobicContact CG2-CB 3.95Å; I63-E105 HydrophobicContact CG2-CG 4.07Å; I63-T106 CarbonylContact C-O 3.56Å; I63-T106 WeakPolarHBondContact CA-O 3.37Å; I63-L107 HydrophobicContact CG1-CD2 4.5Å
64R92.2Very high88.1Confident112 Ų11263.4 Ų63.442%0.42334%0.343SS..EExtended strand (participates in β ladder)trans-91.4144.2172-82.6175.7170.6176-1.7110.6E90 E105 T106 K108R64-E90 HydrophobicContact CG-CG 4.1Å; R64-E90 IonicContact NE-OE1 2.96Å; R64-E90 PolarHBondContact NE-OE1 3.01Å; R64-E90 IonicContact NH2-OE1 3Å; R64-E105 WeakPolarHBondContact O-CA 3.27Å; R64-T106 PolarHBondContact N-O 3.44Å; R64-T106 PolarHBondContact O-N 3.42Å; R64-T106 VanDerWaalsContact O-N 3.07Å; R64-K108 HydrophobicContact CG-CB 4.14Å; R64-K108 HydrophobicContact CG-CG 4.49Å
65N92Very high87.6Confident34 Ų3461.1 Ų61.118%0.18233%0.33CS..SBendtrans56.552-178.4-49.4-40.5000112.6V85 R86 G88 D89 G104 E105N65-V85 HydrophobicContact CB-CB 4.42Å; N65-V85 WeakPolarHBondContact O-CB 3.48Å; N65-R86 WeakPolarHBondContact CA-O 3.25Å; N65-G88 PolarHBondContact OD1-N 3.12Å; N65-D89 PolarHBondContact N-O 3.38Å; N65-G104 WeakPolarHBondContact CB-O 3.27Å; N65-E105 WeakPolarHBondContact O-CG 3.45Å
66P90.9Very high87.2Confident0 Ų063.1 Ų63.10%034%0.342CS..PPolyproline II helixtrans-59.5146.5-175.826.9-35.5000111.6R86 D89 E91 E105P66-R86 HydrophobicContact CG-CB 4.23Å; P66-R86 PolarHBondContact O-N 3.44Å; P66-D89 WeakPolarHBondContact CD-O 3.4Å; P66-D89 HydrophobicContact CG-CB 4.25Å; P66-E91 HydrophobicContact CB-CB 3.63Å; P66-E91 HydrophobicContact CB-CG 4.43Å; P66-E91 WeakPolarHBondContact CB-OE2 3.42Å; P66-E91 HydrophobicContact CG-CB 3.85Å; P66-E105 WeakPolarHBondContact CA-OE1 3.48Å
67V89.9Confident86.8Confident4 Ų464.1 Ų64.12%0.02435%0.347CS..BIsolated β-bridgetrans-64.6144.8178.278.70000111.9T69 P75 V83 Y102 E105V67-T69 HydrophobicContact CG1-CG2 3.92Å; V67-P75 HydrophobicContact CG2-CB 3.92Å; V67-V83 HydrophobicContact CG2-CB 4.33Å; V67-V83 HydrophobicContact CG2-CG1 3.11Å; V67-Y102 HydrophobicContact CB-CD2 3.99Å; V67-Y102 HydrophobicContact CB-CG 4.12Å; V67-Y102 HydrophobicContact CG1-CD2 3.71Å; V67-Y102 HydrophobicContact CG1-CE2 4.03Å; V67-Y102 HydrophobicContact CG1-CG 4.31Å; V67-Y102 HydrophobicContact CG2-CD1 4.36Å; V67-Y102 HydrophobicContact CG2-CD2 4.2Å; V67-Y102 HydrophobicContact CG2-CG 3.95Å; V67-E105 WeakPolarHBondContact CB-OE1 3.36Å; V67-E105 PolarHBondContact N-OE1 2.96Å
68I87.4Confident86.2Confident62 Ų6261 Ų6132%0.31833%0.325SS..PPolyproline II helixtrans-83.1119.5171.7-60.1178.4000108.1P75 V76 K84 R86I68-P75 CarbonylContact O-C 3.51Å; I68-P75 WeakPolarHBondContact O-CA 3.39Å; I68-V76 HydrophobicContact CG2-CB 4.18Å; I68-V76 HydrophobicContact CG2-CG2 3.98Å; I68-V76 PolarHBondContact O-N 3.03Å; I68-K84 HydrophobicContact CB-CB 4.33Å; I68-K84 HydrophobicContact CD1-CB 3.88Å; I68-K84 HydrophobicContact CG1-CB 4.34Å; I68-K84 PolarHBondContact N-O 3.42Å; I68-R86 HydrophobicContact CD1-CG 4.13Å; I68-R86 HydrophobicContact CG1-CG 3.62Å
69T83.9Confident85.6Confident71 Ų7165.6 Ų65.644%0.43634%0.343SS..BIsolated β-bridgetrans-106.9149.4175.551.30000111.7V67 G73 V74V67-T69 HydrophobicContact CG1-CG2 3.92Å; T69-G73 WeakPolarHBondContact CG2-O 3.22Å; T69-V74 CarbonylContact C-O 3.59Å; T69-V74 WeakPolarHBondContact CA-O 3.42Å
70D81.8Confident84.7Confident98 Ų9869.8 Ų69.852%0.52436%0.359SS..  trans-81.5179.3167.2-160.92.5000110.6D72 G73 V74 V76D70-D72 PolarHBondContact O-N 2.94Å; D70-D72 VanDerWaalsContact O-N 3.1Å; D70-G73 PolarHBondContact O-N 3.32Å; D70-V74 PolarHBondContact N-O 3.38Å; D70-V76 HydrophobicContact CB-CG2 4.21Å
71K77.4Confident83.8Confident200 Ų20070.1 Ų70.187%0.8737%0.37SS*.THydrogen-bonded Turntrans-54.7-29-177.7-65.4-177.4-179.61800114.3G73K71-G73 VanDerWaalsContact C-N 3.3Å
72D77.7Confident83.3Confident144 Ų14472.4 Ų72.477%0.7738%0.38SS*.THydrogen-bonded Turntrans-88.57.6178.4-61.6-39.3000113.3D70 V74D70-D72 PolarHBondContact O-N 2.94Å; D70-D72 VanDerWaalsContact O-N 3.1Å; D72-V74 HydrophobicContact CB-CG2 4.23Å; D72-V74 PolarHBondContact O-N 2.93Å
73G70.8Confident82.9Confident46 Ų4672.6 Ų72.647%0.47438%0.381SS..SBendtrans765.8-177.500000114.1T69 D70 K71T69-G73 WeakPolarHBondContact CG2-O 3.22Å; D70-G73 PolarHBondContact O-N 3.32Å; K71-G73 VanDerWaalsContact C-N 3.3Å
74V81.2Confident82.6Confident88 Ų8877.3 Ų77.353%0.53340%0.402SS..PPolyproline II helixtrans-81.9134.4178.9-175.40000109.8T69 D70 D72 V76T69-V74 CarbonylContact C-O 3.59Å; T69-V74 WeakPolarHBondContact CA-O 3.42Å; D70-V74 PolarHBondContact N-O 3.38Å; D72-V74 HydrophobicContact CB-CG2 4.23Å; D72-V74 PolarHBondContact O-N 2.93Å; V74-V76 PolarHBondContact O-N 3.49Å
75P81.3Confident82.4Confident24 Ų2474.2 Ų74.216%0.15640%0.395CS..BIsolated β-bridgetrans-62.9133.9178.8-18.328.2000113.2V67 I68 V77 V83 Y102V67-P75 HydrophobicContact CG2-CB 3.92Å; I68-P75 CarbonylContact O-C 3.51Å; I68-P75 WeakPolarHBondContact O-CA 3.39Å; P75-V77 PolarHBondContact O-N 3.41Å; P75-V83 HydrophobicContact CB-CG1 3.41Å; P75-V83 VanDerWaalsContact CB-CG1 3.41Å; P75-Y102 HydrophobicContact CB-CE1 4.16Å; P75-Y102 HydrophobicContact CG-CD1 4.13Å; P75-Y102 HydrophobicContact CG-CE1 3.29Å; P75-Y102 HydrophobicContact CG-CE2 4.12Å; P75-Y102 WeakPolarHBondContact CG-OH 3.3Å
76V84.5Confident82.2Confident48 Ų4877.4 Ų77.429%0.29141%0.405SS..PPolyproline II helixtrans-76.9118.6175.1-1790000109.2I68 D70 V74 K84I68-V76 HydrophobicContact CG2-CB 4.18Å; I68-V76 HydrophobicContact CG2-CG2 3.98Å; I68-V76 PolarHBondContact O-N 3.03Å; D70-V76 HydrophobicContact CB-CG2 4.21Å; V74-V76 PolarHBondContact O-N 3.49Å; V76-K84 HydrophobicContact CG1-CD 4.36Å; V76-K84 PolarHBondContact O-N 2.89Å
77V83Confident81.9Confident79 Ų7985 Ų8548%0.47944%0.442SS..BIsolated β-bridgetrans-94.1150.7174.7-70.60000111.6P75 G81 Q82 V83P75-V77 PolarHBondContact O-N 3.41Å; V77-G81 WeakPolarHBondContact CG1-O 3.41Å; V77-Q82 CarbonylContact C-O 3.57Å; V77-Q82 WeakPolarHBondContact CA-O 3.11Å; V77-V83 HydrophobicContact CG1-CG2 4.28Å
78D79.9Confident81.7Confident55 Ų5588 Ų8829%0.29448%0.475SS..  trans-81.1-174.1171.990.5-15.2000112.5F80 G81 Q82 K84D78-F80 PolarHBondContact O-N 2.87Å; D78-F80 WeakPolarHBondContact OD1-CA 3.37Å; D78-F80 WeakPolarHBondContact OD1-CB 3.43Å; D78-F80 PolarHBondContact OD1-N 3.5Å; D78-F80 WeakPolarHBondContact OD2-CD2 3.45Å; D78-G81 PolarHBondContact O-N 2.8Å; D78-G81 VanDerWaalsContact O-N 3.09Å; D78-G81 PolarHBondContact OD1-N 3.2Å; D78-Q82 PolarHBondContact N-O 3.07Å; D78-Q82 PolarHBondContact OD1-N 2.89Å; D78-K84 HydrophobicContact CB-CG 4.39Å
79K77Confident81.8Confident205 Ų20587 Ų8789%0.89147%0.47SS*.THydrogen-bonded Turntrans-62.8-22.2-179.1-66.2-177179.6179.90114
80F74.2Confident82.1Confident155 Ų15585.3 Ų85.368%0.6846%0.457SS*.THydrogen-bonded Turntrans-96.2-8.7179.4-56-73.7000111.8V27 D78V27-F80 HydrophobicContact CG2-CB 3.93Å; V27-F80 WeakPolarHBondContact CG2-O 3.4Å; D78-F80 PolarHBondContact O-N 2.87Å; D78-F80 WeakPolarHBondContact OD1-CA 3.37Å; D78-F80 WeakPolarHBondContact OD1-CB 3.43Å; D78-F80 PolarHBondContact OD1-N 3.5Å; D78-F80 WeakPolarHBondContact OD2-CD2 3.45Å
81G75.4Confident82.5Confident31 Ų3183 Ų8332%0.3244%0.443SS..SBendtrans95.34.4-177.600000113.8V77 D78V77-G81 WeakPolarHBondContact CG1-O 3.41Å; D78-G81 PolarHBondContact O-N 2.8Å; D78-G81 VanDerWaalsContact O-N 3.09Å; D78-G81 PolarHBondContact OD1-N 3.2Å
82Q83.7Confident83.2Confident49 Ų4975.9 Ų75.923%0.22941%0.411CS..PPolyproline II helixtrans-77.4135.9177.6-175.362.537.300110.3V27 T28 V77 D78V27-Q82 HydrophobicContact CG1-CB 4.29Å; V27-Q82 HydrophobicContact CG2-CB 4.43Å; T28-Q82 PolarHBondContact O-OE1 3.49Å; V77-Q82 CarbonylContact C-O 3.57Å; V77-Q82 WeakPolarHBondContact CA-O 3.11Å; D78-Q82 PolarHBondContact N-O 3.07Å; D78-Q82 PolarHBondContact OD1-N 2.89Å
83V84Confident83.9Confident19 Ų1970.1 Ų70.112%0.11538%0.379CS..BIsolated β-bridgetrans-70.7133.2178.7-1620000110.6V67 P75 V77 Y102V67-V83 HydrophobicContact CG2-CB 4.33Å; V67-V83 HydrophobicContact CG2-CG1 3.11Å; P75-V83 HydrophobicContact CB-CG1 3.41Å; P75-V83 VanDerWaalsContact CB-CG1 3.41Å; V77-V83 HydrophobicContact CG1-CG2 4.28Å; V83-Y102 HydrophobicContact CG1-CD1 4.46Å; V83-Y102 HydrophobicContact CG2-CD1 4.36Å
84K86.9Confident84.9Confident100 Ų10071.2 Ų71.244%0.43537%0.37SS..PPolyproline II helixtrans-82.2133.4177.4-64.3-176.2-179.81760111I68 V76 D78I68-K84 HydrophobicContact CB-CB 4.33Å; I68-K84 HydrophobicContact CD1-CB 3.88Å; I68-K84 HydrophobicContact CG1-CB 4.34Å; I68-K84 PolarHBondContact N-O 3.42Å; V76-K84 HydrophobicContact CG1-CD 4.36Å; V76-K84 PolarHBondContact O-N 2.89Å; D78-K84 HydrophobicContact CB-CG 4.39Å
85V87.5Confident85.4Confident46 Ų4669.5 Ų69.528%0.27937%0.366SS..BIsolated β-bridgetrans-114.5147.6176.2-66.80000111N65 M87N65-V85 HydrophobicContact CB-CB 4.42Å; N65-V85 WeakPolarHBondContact O-CB 3.48Å; V85-M87 PolarHBondContact O-N 2.93Å; V85-M87 VanDerWaalsContact O-N 3.13Å
86R87.7Confident85.9Confident101 Ų10172.9 Ų72.938%0.38138%0.379SS..  trans-81.584.4171.2-65.1-175.1-79.2-161.2-0.9109.4N65 P66 I68 G88 D89 E91N65-R86 WeakPolarHBondContact CA-O 3.25Å; P66-R86 HydrophobicContact CG-CB 4.23Å; P66-R86 PolarHBondContact O-N 3.44Å; I68-R86 HydrophobicContact CD1-CG 4.13Å; I68-R86 HydrophobicContact CG1-CG 3.62Å; R86-G88 PolarHBondContact O-N 3.16Å; R86-D89 HydrophobicContact CB-CB 3.67Å; R86-D89 IonicContact CZ-OD2 2.68Å; R86-D89 IonicContact NE-OD2 3.47Å; R86-D89 WeakPolarHBondContact O-CB 3.39Å; R86-D89 PolarHBondContact O-N 2.74Å; R86-E91 IonicContact NH2-OE2 3.34Å; R86-E91 PolarHBondContact NH2-OE2 3.44Å
87M85.6Confident86.1Confident159 Ų15977.3 Ų77.378%0.78340%0.401SS*.THydrogen-bonded Turntrans-57.6127.3-177.3-16965.3127.700111.5V85 D89V85-M87 PolarHBondContact O-N 2.93Å; V85-M87 VanDerWaalsContact O-N 3.13Å; M87-D89 VanDerWaalsContact C-N 3.26Å; M87-D89 PolarHBondContact O-N 3.39Å
88G84.6Confident86.4Confident69 Ų6975.9 Ų75.971%0.71139%0.393SS*.THydrogen-bonded Turntrans80.9-4.8-179.200000115.2N65 R86N65-G88 PolarHBondContact OD1-N 3.12Å; R86-G88 PolarHBondContact O-N 3.16Å
89D89.3Confident87Confident40 Ų4074.1 Ų74.121%0.21438%0.383CS..  trans-85.7159.1175.5-1589.7000111N65 P66 R86 M87 K156N65-D89 PolarHBondContact N-O 3.38Å; P66-D89 WeakPolarHBondContact CD-O 3.4Å; P66-D89 HydrophobicContact CG-CB 4.25Å; R86-D89 HydrophobicContact CB-CB 3.67Å; R86-D89 IonicContact CZ-OD2 2.68Å; R86-D89 IonicContact NE-OD2 3.47Å; R86-D89 WeakPolarHBondContact O-CB 3.39Å; R86-D89 PolarHBondContact O-N 2.74Å; M87-D89 VanDerWaalsContact C-N 3.26Å; M87-D89 PolarHBondContact O-N 3.39Å; D89-K156 VanDerWaalsContact CG-NZ 3.26Å; D89-K156 WeakPolarHBondContact OD1-CD 3.4Å; D89-K156 IonicContact OD1-NZ 3.35Å; D89-K156 PolarHBondContact OD1-NZ 2.92Å; D89-K156 IonicContact OD2-NZ 3.69Å; D89-K156 PolarHBondContact OD2-NZ 3.26Å
90E90.4Very high87.6Confident36 Ų3665.4 Ų65.417%0.16835%0.347CS..EExtended strand (participates in β ladder)trans-124.4138.1177.3-64.4-171.216700110.2V62 I63 R64 Y92 K108 K156V62-E90 HydrophobicContact CG1-CB 3.98Å; V62-E90 HydrophobicContact CG1-CG 4.38Å; I63-E90 CarbonylContact O-C 3.54Å; I63-E90 VanDerWaalsContact O-CA 3.3Å; I63-E90 WeakPolarHBondContact O-CA 3.15Å; R64-E90 HydrophobicContact CG-CG 4.1Å; R64-E90 IonicContact NE-OE1 2.96Å; R64-E90 PolarHBondContact NE-OE1 3.01Å; R64-E90 IonicContact NH2-OE1 3Å; E90-Y92 HydrophobicContact CB-CE2 4.48Å; E90-K108 VanDerWaalsContact OE1-CD 3.28Å; E90-K108 WeakPolarHBondContact OE1-CD 3.37Å; E90-K108 VanDerWaalsContact OE1-CE 3.25Å; E90-K108 WeakPolarHBondContact OE1-CE 3.37Å; E90-K108 IonicContact OE1-NZ 3.13Å; E90-K108 PolarHBondContact OE1-NZ 3.4Å; E90-K108 IonicContact OE2-NZ 2.62Å; E90-K108 PolarHBondContact OE2-NZ 2.89Å; E90-K156 HydrophobicContact CB-CB 4.47Å; E90-K156 WeakPolarHBondContact O-CD 3.41Å
91E90.7Very high88.4Confident49 Ų4958.8 Ų58.823%0.22932%0.319CS..EExtended strand (participates in β ladder)trans-122128.3176.9-173.2176.2127.100109.9V62 I63 P66 R86 R93V62-E91 WeakPolarHBondContact CA-O 3.49Å; I63-E91 PolarHBondContact N-O 3.02Å; I63-E91 PolarHBondContact O-N 3.45Å; P66-E91 HydrophobicContact CB-CB 3.63Å; P66-E91 HydrophobicContact CB-CG 4.43Å; P66-E91 WeakPolarHBondContact CB-OE2 3.42Å; P66-E91 HydrophobicContact CG-CB 3.85Å; R86-E91 IonicContact NH2-OE2 3.34Å; R86-E91 PolarHBondContact NH2-OE2 3.44Å; E91-R93 HydrophobicContact CG-CG 4.32Å; E91-R93 IonicContact OE1-CZ 3.28Å; E91-R93 IonicContact OE1-NE 2.86Å; E91-R93 PolarHBondContact OE1-NE 3.21Å; E91-R93 IonicContact OE1-NH2 3.11Å; E91-R93 PolarHBondContact OE1-NH2 3.43Å
92Y91.7Very high89.1Confident51 Ų5159.8 Ų59.820%0.231%0.314CS..EExtended strand (participates in β ladder)trans-94.5115.6178.7-74.5-116000107.7Y60 V62 E90 P154 K156Y60-Y92 AromaticContact CD2-CD1 3.79Å; Y60-Y92 HydrophobicContact CD2-CD1 3.79Å; Y60-Y92 HydrophobicContact CD2-CE1 4.28Å; Y60-Y92 AromaticContact CE2-CD1 3.83Å; Y60-Y92 HydrophobicContact CE2-CD1 3.83Å; Y60-Y92 AromaticContact CE2-CE1 3.83Å; Y60-Y92 HydrophobicContact CE2-CE1 3.83Å; V62-Y92 HydrophobicContact CG1-CD2 4.25Å; V62-Y92 HydrophobicContact CG1-CE2 3.89Å; V62-Y92 HydrophobicContact CG2-CD1 3.72Å; V62-Y92 HydrophobicContact CG2-CD2 4.37Å; V62-Y92 HydrophobicContact CG2-CE1 3.48Å; V62-Y92 VanDerWaalsContact CG2-CE1 3.48Å; V62-Y92 HydrophobicContact CG2-CE2 4.12Å; V62-Y92 HydrophobicContact CG2-CG 4.17Å; E90-Y92 HydrophobicContact CB-CE2 4.48Å; Y92-P154 HydrophobicContact CD1-CB 3.87Å; Y92-P154 WeakPolarHBondContact CD1-O 3.31Å; Y92-P154 HydrophobicContact CE1-CB 3.67Å; Y92-K156 HydrophobicContact CD2-CB 3.94Å; Y92-K156 HydrophobicContact CE2-CB 3.64Å
93R91.7Very high89.2Confident23 Ų2358 Ų589%0.08731%0.307CS..EExtended strand (participates in β ladder)trans-106.8132.2176.4-62.1-161.3-177.4144.89.1109.8Y60 C61 I63 E91 F99 E105Y60-R93 VanDerWaalsContact CA-O 3.29Å; Y60-R93 WeakPolarHBondContact CA-O 3.35Å; C61-R93 PolarHBondContact N-O 3.31Å; C61-R93 PolarHBondContact O-N 3.2Å; I63-R93 VanDerWaalsContact CD1-CD 3.41Å; I63-R93 HydrophobicContact CD1-CG 3.81Å; E91-R93 HydrophobicContact CG-CG 4.32Å; E91-R93 IonicContact OE1-CZ 3.28Å; E91-R93 IonicContact OE1-NE 2.86Å; E91-R93 PolarHBondContact OE1-NE 3.21Å; E91-R93 IonicContact OE1-NH2 3.11Å; E91-R93 PolarHBondContact OE1-NH2 3.43Å; R93-F99 HydrophobicContact CB-CE1 4.36Å; R93-F99 HydrophobicContact CB-CZ 4.2Å; R93-F99 HydrophobicContact CG-CZ 4.46Å; R93-E105 IonicContact NH2-OE1 2.65Å; R93-E105 PolarHBondContact NH2-OE1 3.12Å; R93-E105 VanDerWaalsContact NH2-OE1 3.13Å
94F93.4Very high89.3Confident68 Ų6859.2 Ų59.230%0.29832%0.322SS..  trans-101.8-170.2179.8-52.8-72.2000110.2Q96 L114 Y153 P154F94-Q96 WeakPolarHBondContact O-CG 3.26Å; F94-Q96 PolarHBondContact O-N 3.13Å; F94-Q96 VanDerWaalsContact O-N 3.1Å; F94-L114 HydrophobicContact CD1-CD2 4.15Å; F94-L114 HydrophobicContact CE1-CD2 4.2Å; F94-Y153 AromaticContact CD1-CD1 3.63Å; F94-Y153 HydrophobicContact CD1-CD1 3.63Å; F94-Y153 HydrophobicContact CD1-CE1 4.16Å; F94-Y153 AromaticContact CE1-CD1 3.61Å; F94-Y153 HydrophobicContact CE1-CD1 3.61Å; F94-Y153 HydrophobicContact CE1-CG 4.35Å; F94-Y153 HydrophobicContact CG-CD1 4.13Å; F94-Y153 HydrophobicContact CG-CE1 4.45Å; F94-Y153 HydrophobicContact CZ-CD1 4.09Å; F94-P154 WeakPolarHBondContact CZ-O 3.48Å
95A91.3Very high89.4Confident53 Ų5354.9 Ų54.944%0.43830%0.304SS..SBendtrans-55.8115.9177.500000111.6V55V55-A95 WeakPolarHBondContact O-CA 3.42Å
96Q90.5Very high89.5Confident94 Ų9456 Ų5644%0.43931%0.311SS..EExtended strand (participates in β ladder)trans-157.4176.7-179.467.3-179.320.200110.1F94 F99F94-Q96 WeakPolarHBondContact O-CG 3.26Å; F94-Q96 PolarHBondContact O-N 3.13Å; F94-Q96 VanDerWaalsContact O-N 3.1Å; Q96-F99 HydrophobicContact CG-CD1 4Å; Q96-F99 HydrophobicContact CG-CE1 4.14Å; Q96-F99 VanDerWaalsContact NE2-CE1 3.27Å
97D89Confident89.6Confident142 Ų14254.4 Ų54.476%0.75931%0.309SS*.EExtended strand (participates in β ladder)trans-59.2141.8177-71-27.1000111.6F99D97-F99 PolarHBondContact O-N 3.43Å
98P90.8Very high89.6Confident48 Ų4850.9 Ų50.931%0.31229%0.29SS..EExtended strand (participates in β ladder)trans-53130179.5-26.834.6000111.8L52 T53 V54L52-P98 HydrophobicContact CB-CB 3.76Å; L52-P98 HydrophobicContact CD1-CB 4.05Å; T53-P98 WeakPolarHBondContact O-CA 3.46Å; V54-P98 HydrophobicContact CG2-CB 4.16Å; V54-P98 HydrophobicContact CG2-CG 4.11Å
99F90.7Very high89.7Confident19 Ų1951.2 Ų51.28%0.08328%0.275CS..EExtended strand (participates in β ladder)trans-127.2150.4-172.159.6-92000112.1L52 T53 V55 I63 R93 Q96 D97 L101L52-F99 VanDerWaalsContact CD2-C 3.49Å; T53-F99 HydrophobicContact CG2-CE1 4.37Å; T53-F99 HydrophobicContact CG2-CE2 4.07Å; T53-F99 HydrophobicContact CG2-CZ 3.76Å; T53-F99 PolarHBondContact N-O 3.31Å; T53-F99 PolarHBondContact O-N 3.1Å; V55-F99 HydrophobicContact CG2-CE1 3.88Å; V55-F99 HydrophobicContact CG2-CZ 4.22Å; I63-F99 HydrophobicContact CD1-CE2 3.55Å; I63-F99 HydrophobicContact CD1-CZ 3.92Å; R93-F99 HydrophobicContact CB-CE1 4.36Å; R93-F99 HydrophobicContact CB-CZ 4.2Å; R93-F99 HydrophobicContact CG-CZ 4.46Å; Q96-F99 HydrophobicContact CG-CD1 4Å; Q96-F99 HydrophobicContact CG-CE1 4.14Å; Q96-F99 VanDerWaalsContact NE2-CE1 3.27Å; D97-F99 PolarHBondContact O-N 3.43Å; F99-L101 HydrophobicContact CE2-CD2 4.13Å
100P91.1Very high89.7Confident21 Ų2155.6 Ų55.614%0.13630%0.297CS..PPolyproline II helixtrans-81.5157.7174.432.4-32.3000110.4Y17 L30 V32 L52Y17-P100 HydrophobicContact CD1-CB 3.72Å; Y17-P100 HydrophobicContact CD2-CB 4.07Å; Y17-P100 HydrophobicContact CE1-CB 4.18Å; Y17-P100 HydrophobicContact CE2-CB 4.48Å; Y17-P100 HydrophobicContact CG-CB 3.65Å; L30-P100 HydrophobicContact CD1-CB 3.99Å; L30-P100 HydrophobicContact CD2-CB 3.93Å; L30-P100 HydrophobicContact CD2-CG 3.62Å; V32-P100 HydrophobicContact CG2-CB 4.3Å; V32-P100 HydrophobicContact CG2-CG 3.95Å; L52-P100 HydrophobicContact CD2-CB 3.6Å; L52-P100 HydrophobicContact CD2-CG 4.09Å; L52-P100 VanDerWaalsContact CD2-N 3.27Å
101L89.8Confident89.7Confident16 Ų1656.1 Ų56.18%0.08430%0.303CS..PPolyproline II helixtrans-89.3128.7165.6-60.4176.5000108.8Y17 H19 I63 F99 E105 L107Y17-L101 WeakPolarHBondContact CE2-O 3.44Å; H19-L101 PolarHBondContact CE1-O 3.48Å; H19-L101 PolarHBondContact NE2-O 3.03Å; I63-L101 HydrophobicContact CD1-CD2 4.1Å; I63-L101 HydrophobicContact CG1-CD2 4.36Å; I63-L101 HydrophobicContact CG2-CD2 4.44Å; F99-L101 HydrophobicContact CE2-CD2 4.13Å; L101-E105 WeakPolarHBondContact CA-OE2 3.33Å; L101-E105 HydrophobicContact CB-CB 4.12Å; L101-E105 HydrophobicContact CD2-CB 4.35Å; L101-L107 HydrophobicContact CD1-CD1 4.07Å; L101-L107 HydrophobicContact CD1-CG 4.12Å
102Y89.8Confident89.7Confident53 Ų5359.3 Ų59.321%0.20831%0.313CS..PPolyproline II helixtrans-70.6156.9175-76.4-87.2000111.2L30 V67 P75 V83 G104 E105L30-Y102 HydrophobicContact CB-CD1 4.36Å; L30-Y102 HydrophobicContact CB-CE1 4.47Å; L30-Y102 HydrophobicContact CD2-CD1 3.73Å; L30-Y102 HydrophobicContact CD2-CE1 3.45Å; L30-Y102 VanDerWaalsContact CD2-CE1 3.45Å; L30-Y102 HydrophobicContact CD2-CE2 4.43Å; L30-Y102 HydrophobicContact CD2-CG 4.32Å; V67-Y102 HydrophobicContact CB-CD2 3.99Å; V67-Y102 HydrophobicContact CB-CG 4.12Å; V67-Y102 HydrophobicContact CG1-CD2 3.71Å; V67-Y102 HydrophobicContact CG1-CE2 4.03Å; V67-Y102 HydrophobicContact CG1-CG 4.31Å; V67-Y102 HydrophobicContact CG2-CD1 4.36Å; V67-Y102 HydrophobicContact CG2-CD2 4.2Å; V67-Y102 HydrophobicContact CG2-CG 3.95Å; P75-Y102 HydrophobicContact CB-CE1 4.16Å; P75-Y102 HydrophobicContact CG-CD1 4.13Å; P75-Y102 HydrophobicContact CG-CE1 3.29Å; P75-Y102 HydrophobicContact CG-CE2 4.12Å; P75-Y102 WeakPolarHBondContact CG-OH 3.3Å; V83-Y102 HydrophobicContact CG1-CD1 4.46Å; V83-Y102 HydrophobicContact CG2-CD1 4.36Å; Y102-G104 PolarHBondContact O-N 3.45Å; Y102-E105 PolarHBondContact N-OE2 3.15Å; Y102-E105 WeakPolarHBondContact O-CB 3.43Å; Y102-E105 PolarHBondContact O-N 3.46Å
103P85.9Confident89.8Confident12 Ų1261.1 Ų61.18%0.07833%0.33CS..THydrogen-bonded Turntrans-53.9116.1174.1-25.734.4000111.6H19 T28H19-P103 VanDerWaalsContact CE1-CA 3.45Å; H19-P103 WeakPolarHBondContact CE1-CA 3.36Å; T28-P103 HydrophobicContact CG2-CB 3.87Å; T28-P103 HydrophobicContact CG2-CG 3.83Å
104G86Confident89.9Confident43 Ų4360.4 Ų60.444%0.44333%0.328SS..THydrogen-bonded Turntrans103.4-21.9-175.800000114.8N65 Y102N65-G104 WeakPolarHBondContact CB-O 3.27Å; Y102-G104 PolarHBondContact O-N 3.45Å
105E91Very high89.8Confident10 Ų1058.8 Ų58.85%0.04733%0.325CS..  trans-71.6139.4171.4-70.7-172.7147.400110.4I63 R64 N65 P66 V67 R93 L101 Y102I63-E105 HydrophobicContact CG2-CB 3.95Å; I63-E105 HydrophobicContact CG2-CG 4.07Å; R64-E105 WeakPolarHBondContact O-CA 3.27Å; N65-E105 WeakPolarHBondContact O-CG 3.45Å; P66-E105 WeakPolarHBondContact CA-OE1 3.48Å; V67-E105 WeakPolarHBondContact CB-OE1 3.36Å; V67-E105 PolarHBondContact N-OE1 2.96Å; R93-E105 IonicContact NH2-OE1 2.65Å; R93-E105 PolarHBondContact NH2-OE1 3.12Å; R93-E105 VanDerWaalsContact NH2-OE1 3.13Å; L101-E105 WeakPolarHBondContact CA-OE2 3.33Å; L101-E105 HydrophobicContact CB-CB 4.12Å; L101-E105 HydrophobicContact CD2-CB 4.35Å; Y102-E105 PolarHBondContact N-OE2 3.15Å; Y102-E105 WeakPolarHBondContact O-CB 3.43Å; Y102-E105 PolarHBondContact O-N 3.46Å
106T89.2Confident89.8Confident70 Ų7061 Ų6143%0.42933%0.333SS..EExtended strand (participates in β ladder)trans-137.5142.5174.1500000110.6I63 R64 K108I63-T106 CarbonylContact C-O 3.56Å; I63-T106 WeakPolarHBondContact CA-O 3.37Å; R64-T106 PolarHBondContact N-O 3.44Å; R64-T106 PolarHBondContact O-N 3.42Å; R64-T106 VanDerWaalsContact O-N 3.07Å; T106-K108 PolarHBondContact O-N 3.43Å
107L88.9Confident90Very high67 Ų6756.8 Ų56.835%0.35131%0.313SS..EExtended strand (participates in β ladder)trans-70.5122.1168.9-85.1156000108.9T53 C61 I63 L101 D109T53-L107 HydrophobicContact CG2-CD1 3.97Å; T53-L107 HydrophobicContact CG2-CD2 4.31Å; C61-L107 HydrophobicContact CB-CD2 3.7Å; I63-L107 HydrophobicContact CG1-CD2 4.5Å; L101-L107 HydrophobicContact CD1-CD1 4.07Å; L101-L107 HydrophobicContact CD1-CG 4.12Å; L107-D109 VanDerWaalsContact C-N 3.29Å; L107-D109 PolarHBondContact O-N 3.08Å
108K87Confident90.1Very high85 Ų8555.6 Ų55.637%0.3731%0.306SS..SBendtrans-63.7-37.7178-178.7175.6-179.3170.80111.8V62 R64 E90 T106V62-K108 HydrophobicContact CB-CB 4.07Å; V62-K108 HydrophobicContact CB-CD 4.21Å; V62-K108 HydrophobicContact CG1-CB 4.18Å; V62-K108 HydrophobicContact CG1-CD 3.8Å; V62-K108 WeakPolarHBondContact O-CB 3.48Å; V62-K108 PolarHBondContact O-N 3.06Å; R64-K108 HydrophobicContact CG-CB 4.14Å; R64-K108 HydrophobicContact CG-CG 4.49Å; E90-K108 VanDerWaalsContact OE1-CD 3.28Å; E90-K108 WeakPolarHBondContact OE1-CD 3.37Å; E90-K108 VanDerWaalsContact OE1-CE 3.25Å; E90-K108 WeakPolarHBondContact OE1-CE 3.37Å; E90-K108 IonicContact OE1-NZ 3.13Å; E90-K108 PolarHBondContact OE1-NZ 3.4Å; E90-K108 IonicContact OE2-NZ 2.62Å; E90-K108 PolarHBondContact OE2-NZ 2.89Å; T106-K108 PolarHBondContact O-N 3.43Å
109D85.3Confident90.2Very high75 Ų7557.1 Ų57.140%0.40132%0.316SS..SBendtrans-157175.2-173.9-148.5-30000110.6L107 R112L107-D109 VanDerWaalsContact C-N 3.29Å; L107-D109 PolarHBondContact O-N 3.08Å; D109-R112 IonicContact OD2-CZ 3.28Å; D109-R112 VanDerWaalsContact OD2-CZ 3.23Å; D109-R112 IonicContact OD2-NE 3.85Å; D109-R112 IonicContact OD2-NH2 2.99Å; D109-R112 PolarHBondContact OD2-NH2 3.43Å
110I89.1Confident90.2Very high133 Ų13361.1 Ų61.168%0.68234%0.338SS*.SBendtrans-62.3155.7171.561.6169.8000111.3R112I110-R112 PolarHBondContact O-N 2.91Å
111V90Very high90.3Very high46 Ų4660.7 Ų60.728%0.27934%0.336SS..  trans-58.8127.1173.9-178.70000109.5V55 M59 C61V55-V111 HydrophobicContact CG1-CG1 4.47Å; M59-V111 HydrophobicContact CB-CG1 3.7Å; M59-V111 HydrophobicContact CG-CG1 4.45Å; M59-V111 HydrophobicContact SD-CG1 3.98Å; C61-V111 HydrophobicContact CB-CG2 4.18Å
112R92.2Very high90.5Very high117 Ų11760 Ų6044%0.44233%0.332SS..EExtended strand (participates in β ladder)trans-113.8147.6-174.3-74.2179.4178.4-167.2-5.2111.9M59 Y60 D109 I110M59-R112 CarbonylContact C-O 3.48Å; M59-R112 WeakPolarHBondContact CA-O 3.42Å; M59-R112 WeakPolarHBondContact CB-O 3.47Å; Y60-R112 HydrophobicContact CD1-CB 4.22Å; Y60-R112 WeakPolarHBondContact CD1-O 3.47Å; Y60-R112 HydrophobicContact CE1-CB 3.68Å; Y60-R112 PolarHBondContact N-O 3.42Å; Y60-R112 PolarHBondContact O-N 3.32Å; D109-R112 IonicContact OD2-CZ 3.28Å; D109-R112 VanDerWaalsContact OD2-CZ 3.23Å; D109-R112 IonicContact OD2-NE 3.85Å; D109-R112 IonicContact OD2-NH2 2.99Å; D109-R112 PolarHBondContact OD2-NH2 3.43Å; I110-R112 PolarHBondContact O-N 2.91Å
113P93.4Very high90.7Very high88 Ų8858.2 Ų58.257%0.57133%0.326SS*.EExtended strand (participates in β ladder)trans-67.2145.8170.729.6-34.1000111
114L93.2Very high91.1Very high9 Ų959.4 Ų59.45%0.04733%0.329CS..PPolyproline II helixtrans-64.9134.5170.6-68.1174.1000109.8M58 Y60 F94 V116 T151 Y153M58-L114 PolarHBondContact O-N 2.95Å; M58-L114 HydrophobicContact SD-CD1 4.26Å; Y60-L114 HydrophobicContact CD1-CD2 3.72Å; Y60-L114 HydrophobicContact CD1-CG 4.43Å; Y60-L114 HydrophobicContact CG-CD2 4.16Å; F94-L114 HydrophobicContact CD1-CD2 4.15Å; F94-L114 HydrophobicContact CE1-CD2 4.2Å; L114-V116 PolarHBondContact O-N 3.27Å; L114-T151 HydrophobicContact CB-CG2 3.45Å; L114-T151 VanDerWaalsContact CB-CG2 3.45Å; L114-T151 HydrophobicContact CD1-CG2 3.84Å; L114-T151 HydrophobicContact CG-CG2 4.27Å; L114-Y153 HydrophobicContact CD1-CD1 3.97Å; L114-Y153 HydrophobicContact CD1-CE1 3.48Å; L114-Y153 VanDerWaalsContact CD1-CE1 3.48Å; L114-Y153 HydrophobicContact CD1-CE2 4.19Å; L114-Y153 HydrophobicContact CD2-CD1 4.11Å; L114-Y153 HydrophobicContact CD2-CE1 4.44Å; L114-Y153 HydrophobicContact CD2-CG 4.45Å
115P91.6Very high91.5Very high34 Ų3457.4 Ų57.422%0.22131%0.308CS..PPolyproline II helixtrans-62.8119.4177.3-22.233000111.7L123 Y152 P154 I160P115-L123 HydrophobicContact CB-CD1 3.76Å; P115-Y152 WeakPolarHBondContact CD-O 3.23Å; P115-Y152 HydrophobicContact CG-CD1 4.41Å; P115-Y152 PolarHBondContact O-N 3.33Å; P115-P154 HydrophobicContact CG-CG 4.44Å; P115-I160 HydrophobicContact CG-CD1 3.95Å
116V91.8Very high91.7Very high100 Ų10060.5 Ų60.561%0.60632%0.319SS*.EExtended strand (participates in β ladder)trans-94.3121.3174.1-178.70000108.9L114L114-V116 PolarHBondContact O-N 3.27Å
117V93.4Very high91.9Very high5 Ų557.2 Ų57.23%0.0330%0.299CS..EExtended strand (participates in β ladder)trans-101.2122.1-180-171.40000108.8S121 L123 F146 P149 G150V117-S121 VanDerWaalsContact CG1-O 3.25Å; V117-S121 WeakPolarHBondContact CG1-O 3.43Å; V117-S121 WeakPolarHBondContact CG1-OG 3.39Å; V117-L123 HydrophobicContact CG2-CB 4.49Å; V117-L123 HydrophobicContact CG2-CD1 3.47Å; V117-L123 VanDerWaalsContact CG2-CD1 3.47Å; V117-L123 HydrophobicContact CG2-CG 3.56Å; V117-F146 HydrophobicContact CB-CD1 4.26Å; V117-F146 HydrophobicContact CB-CE1 4.21Å; V117-F146 HydrophobicContact CG2-CD1 3.69Å; V117-F146 HydrophobicContact CG2-CE1 3.84Å; V117-P149 WeakPolarHBondContact O-CA 3.43Å; V117-G150 PolarHBondContact N-O 3.46Å; V117-G150 PolarHBondContact O-N 3.45Å; V117-G150 VanDerWaalsContact O-N 3.1Å
118L92.9Very high92Very high116 Ų11658.4 Ų58.461%0.60731%0.309SS*.PPolyproline II helixtrans-78160.4-177.2-62.7177.6000111S121L118-S121 PolarHBondContact N-OG 3.36Å; L118-S121 VanDerWaalsContact N-OG 3.07Å; L118-S121 PolarHBondContact O-N 2.94Å; L118-S121 PolarHBondContact O-OG 3.05Å
119P91.2Very high92.1Very high80 Ų8056.8 Ų56.852%0.51931%0.309SS..THydrogen-bonded Turntrans-51.1144.8166.8-22.431.6000111.3S121 P149P119-S121 PolarHBondContact O-N 2.94Å; P119-P149 HydrophobicContact CG-CB 4Å; P119-P149 HydrophobicContact CG-CG 4.3Å
120N91.3Very high92.4Very high104 Ų10458.7 Ų58.756%0.55632%0.319SS*.THydrogen-bonded Turntrans61.420.9-177.8-53.6-33000114.6A166 A204N120-A166 HydrophobicContact CB-CB 3.85Å; N120-A166 VanDerWaalsContact O-CB 3.31Å; N120-A166 WeakPolarHBondContact O-CB 3.46Å; N120-A166 PolarHBondContact O-N 2.98Å; N120-A204 HydrophobicContact CB-CB 4.29Å
121S93.3Very high92.4Very high12 Ų1253.5 Ų53.58%0.08429%0.291CS..EExtended strand (participates in β ladder)trans-132.9157.817168.50000110.6V117 L118 P119 G148 E164V117-S121 VanDerWaalsContact CG1-O 3.25Å; V117-S121 WeakPolarHBondContact CG1-O 3.43Å; V117-S121 WeakPolarHBondContact CG1-OG 3.39Å; L118-S121 PolarHBondContact N-OG 3.36Å; L118-S121 VanDerWaalsContact N-OG 3.07Å; L118-S121 PolarHBondContact O-N 2.94Å; L118-S121 PolarHBondContact O-OG 3.05Å; P119-S121 PolarHBondContact O-N 2.94Å; S121-G148 PolarHBondContact O-N 3.25Å; S121-E164 CarbonylContact C-O 3.55Å; S121-E164 WeakPolarHBondContact CA-O 3.12Å; S121-E164 WeakPolarHBondContact CB-O 3.2Å
122A94.3Very high92.4Very high0 Ų056.9 Ų56.90%030%0.304CS..EExtended strand (participates in β ladder)trans-140.7152.9174.100000111.9L145 F146 E147 C163 E164 L206A122-L145 HydrophobicContact CB-CB 3.95Å; A122-L145 HydrophobicContact CB-CD1 4.29Å; A122-L145 HydrophobicContact CB-CD2 4.06Å; A122-L145 HydrophobicContact CB-CG 4.3Å; A122-F146 CarbonylContact C-O 3.53Å; A122-F146 WeakPolarHBondContact CA-O 3.44Å; A122-F146 WeakPolarHBondContact CB-O 3.45Å; A122-E147 HydrophobicContact CB-CG 4.26Å; A122-C163 CarbonylContact O-C 3.44Å; A122-C163 WeakPolarHBondContact O-CA 3.44Å; A122-E164 PolarHBondContact N-O 2.85Å; A122-E164 PolarHBondContact O-N 2.82Å; A122-L206 HydrophobicContact CB-CD2 3.76Å
123L94.6Very high91.9Very high16 Ų1653.5 Ų53.58%0.08430%0.295CS..EExtended strand (participates in β ladder)trans-90.1125.2162.8-68.2171.5000109.1P115 V117 L125 L145 F146 Y152 I160 C163P115-L123 HydrophobicContact CB-CD1 3.76Å; V117-L123 HydrophobicContact CG2-CB 4.49Å; V117-L123 HydrophobicContact CG2-CD1 3.47Å; V117-L123 VanDerWaalsContact CG2-CD1 3.47Å; V117-L123 HydrophobicContact CG2-CG 3.56Å; L123-L125 HydrophobicContact CB-CD2 4.19Å; L123-L125 PolarHBondContact O-N 2.97Å; L123-L145 CarbonylContact O-C 3.59Å; L123-L145 WeakPolarHBondContact O-CA 3.4Å; L123-F146 HydrophobicContact CB-CB 4.42Å; L123-F146 PolarHBondContact N-O 3.13Å; L123-F146 PolarHBondContact O-N 3.49Å; L123-Y152 HydrophobicContact CD1-CD1 4.12Å; L123-Y152 HydrophobicContact CD1-CG 4.15Å; L123-I160 HydrophobicContact CD2-CG2 3.94Å; L123-C163 HydrophobicContact CD2-CB 4.23Å
124R94.3Very high91.2Very high38 Ų3852.1 Ų52.114%0.14330%0.297CS..EExtended strand (participates in β ladder)trans-79.9116.3168.1-171.4177.5-175.2132.71.5108.4E143 L145 V161 K162 E164 V209R124-E143 IonicContact CZ-OE2 3.27Å; R124-E143 IonicContact NE-OE2 2.96Å; R124-E143 PolarHBondContact NE-OE2 3.2Å; R124-E143 IonicContact NH2-OE2 2.66Å; R124-E143 PolarHBondContact NH2-OE2 2.75Å; R124-L145 HydrophobicContact CB-CD2 3.98Å; R124-L145 HydrophobicContact CG-CD2 4.29Å; R124-V161 HydrophobicContact CB-CB 4.44Å; R124-V161 HydrophobicContact CG-CB 4.37Å; R124-V161 WeakPolarHBondContact O-CB 3.37Å; R124-V161 PolarHBondContact O-N 2.86Å; R124-K162 HydrophobicContact CB-CG 4.02Å; R124-K162 PolarHBondContact N-O 2.85Å; R124-E164 HydrophobicContact CB-CG 4.41Å; R124-E164 IonicContact NH1-OE1 3.71Å; R124-V209 VanDerWaalsContact CZ-O 3.25Å; R124-V209 PolarHBondContact NH1-O 2.92Å; R124-V209 VanDerWaalsContact NH2-CG1 3.32Å; R124-V209 PolarHBondContact NH2-O 2.72Å
125L94.5Very high90.7Very high1 Ų160.1 Ų60.11%0.00534%0.34CS..EExtended strand (participates in β ladder)trans-107.4148.2-177.7-59.5178.5000109.5L123 E143 W144 F146 Y152 V158 E159 I160L123-L125 HydrophobicContact CB-CD2 4.19Å; L123-L125 PolarHBondContact O-N 2.97Å; L125-E143 CarbonylContact O-C 3.51Å; L125-E143 WeakPolarHBondContact O-CA 3.31Å; L125-E143 WeakPolarHBondContact O-CB 3.39Å; L125-W144 HydrophobicContact CB-CD2 4.05Å; L125-W144 HydrophobicContact CB-CE3 4.44Å; L125-W144 HydrophobicContact CB-CH2 4.3Å; L125-W144 HydrophobicContact CB-CZ2 3.91Å; L125-W144 HydrophobicContact CD1-CZ2 4.03Å; L125-W144 PolarHBondContact N-O 3.3Å; L125-W144 PolarHBondContact O-N 2.83Å; L125-F146 HydrophobicContact CD1-CB 3.82Å; L125-F146 HydrophobicContact CG-CB 4.46Å; L125-Y152 HydrophobicContact CD1-CD2 4.08Å; L125-Y152 HydrophobicContact CD1-CE1 4.43Å; L125-Y152 HydrophobicContact CD1-CE2 3.36Å; L125-Y152 HydrophobicContact CD2-CD1 4.44Å; L125-Y152 HydrophobicContact CD2-CE1 3.8Å; L125-Y152 HydrophobicContact CD2-CE2 4.25Å; L125-Y152 HydrophobicContact CG-CE2 4.46Å; L125-V158 HydrophobicContact CB-CG1 3.74Å; L125-V158 HydrophobicContact CD1-CG1 4.21Å; L125-V158 HydrophobicContact CD2-CG1 4.12Å; L125-V158 HydrophobicContact CG-CG1 4.23Å; L125-E159 CarbonylContact C-O 3.57Å; L125-E159 WeakPolarHBondContact CA-O 3.22Å; L125-I160 HydrophobicContact CD2-CB 4.3Å; L125-I160 HydrophobicContact CD2-CG1 3.75Å
126R94.3Very high90.4Very high74 Ų7461.8 Ų61.828%0.27935%0.349SS..EExtended strand (participates in β ladder)trans-129.2131.5174.1179.6166.655.5-138.56.2110E142 E143 V158 E159 V161R126-E142 CarbonylContact C-O 3.45Å; R126-E142 WeakPolarHBondContact CA-O 3.41Å; R126-E143 HydrophobicContact CB-CG 3.9Å; R126-E143 HydrophobicContact CG-CG 3.98Å; R126-E143 IonicContact NH1-OE1 3.06Å; R126-E143 PolarHBondContact NH1-OE1 3.09Å; R126-V158 WeakPolarHBondContact O-CA 3.43Å; R126-E159 IonicContact CZ-OE2 2.85Å; R126-E159 VanDerWaalsContact CZ-OE2 3.29Å; R126-E159 PolarHBondContact N-O 2.9Å; R126-E159 IonicContact NE-OE2 3.32Å; R126-E159 PolarHBondContact NE-OE2 2.95Å; R126-E159 VanDerWaalsContact NH2-CD 3.3Å; R126-E159 IonicContact NH2-OE1 3.37Å; R126-E159 PolarHBondContact NH2-OE1 3.17Å; R126-E159 IonicContact NH2-OE2 3.68Å; R126-E159 PolarHBondContact NH2-OE2 3.44Å; R126-E159 PolarHBondContact O-N 3.32Å; R126-V161 HydrophobicContact CB-CG2 3.57Å
127A92.8Very high90.3Very high1 Ų166 Ų661%0.00835%0.354CS..EExtended strand (participates in β ladder)trans-71.9129.4171.400000109.7F131 R138 I139 G141 E142 W144 E157A127-F131 HydrophobicContact CB-CD1 4.48Å; A127-F131 HydrophobicContact CB-CE1 4.04Å; A127-R138 HydrophobicContact CB-CB 4.33Å; A127-I139 VanDerWaalsContact CB-O 3.26Å; A127-I139 WeakPolarHBondContact CB-O 3.37Å; A127-G141 PolarHBondContact O-N 3Å; A127-E142 PolarHBondContact N-O 2.91Å; A127-W144 HydrophobicContact CB-CH2 4.27Å; A127-W144 HydrophobicContact CB-CZ3 3.85Å; A127-E157 CarbonylContact C-O 3.59Å; A127-E157 WeakPolarHBondContact CA-O 3.2Å
128V91.5Very high90.1Very high92 Ų9267.9 Ų67.956%0.55836%0.36SS*.SBendtrans-92.2-28.3175.9-169.40000110.7E157 E159V128-E157 PolarHBondContact N-O 3.09Å; V128-E159 HydrophobicContact CG2-CB 3.72Å
129S89.2Confident90Very high51 Ų5167.5 Ų67.536%0.35736%0.358SS..SBendtrans-139.8157.7176.856.70000110.3F131S129-F131 WeakPolarHBondContact O-CD1 3.35Å; S129-F131 PolarHBondContact O-N 3.14Å
130D90.6Very high89.9Confident115 Ų11566 Ų6662%0.61535%0.353SS*.  trans-63.7129.9175.2-62.6-4.5000110.5R138 I139 A140D130-R138 WeakPolarHBondContact CA-O 3.26Å; D130-I139 WeakPolarHBondContact OD1-CA 3.23Å; D130-A140 PolarHBondContact OD1-N 3.31Å
131F90.9Very high89.7Confident24 Ų2463.1 Ų63.111%0.10535%0.347CS..EExtended strand (participates in β ladder)trans-155.9163.5178.279.1-73.6000112.5A127 S129 D133 R138 W144 E157 V158A127-F131 HydrophobicContact CB-CD1 4.48Å; A127-F131 HydrophobicContact CB-CE1 4.04Å; S129-F131 WeakPolarHBondContact O-CD1 3.35Å; S129-F131 PolarHBondContact O-N 3.14Å; F131-D133 HydrophobicContact CD2-CB 4.32Å; F131-D133 HydrophobicContact CE2-CB 3.54Å; F131-D133 HydrophobicContact CZ-CB 3.97Å; F131-R138 HydrophobicContact CD1-CB 3.83Å; F131-R138 HydrophobicContact CE1-CB 3.53Å; F131-R138 HydrophobicContact CE1-CG 3.92Å; F131-R138 HydrophobicContact CZ-CB 4.11Å; F131-R138 HydrophobicContact CZ-CG 3.98Å; F131-R138 PolarHBondContact N-O 3.29Å; F131-R138 PolarHBondContact O-N 2.77Å; F131-W144 AromaticContact CE1-CH2 3.94Å; F131-W144 HydrophobicContact CE1-CH2 3.94Å; F131-W144 AromaticContact CZ-CH2 3.86Å; F131-W144 HydrophobicContact CZ-CH2 3.86Å; F131-W144 HydrophobicContact CZ-CZ2 4.18Å; F131-E157 HydrophobicContact CB-CB 4.04Å; F131-E157 HydrophobicContact CB-CG 3.86Å; F131-E157 HydrophobicContact CD1-CB 3.59Å; F131-E157 HydrophobicContact CD1-CG 4.37Å; F131-E157 HydrophobicContact CD2-CB 4.22Å; F131-E157 HydrophobicContact CE1-CB 4.05Å; F131-E157 HydrophobicContact CG-CB 3.69Å; F131-E157 HydrophobicContact CG-CG 4.02Å; F131-V158 HydrophobicContact CE1-CG2 3.71Å; F131-V158 HydrophobicContact CE2-CG2 4.1Å; F131-V158 HydrophobicContact CZ-CG2 3.32Å
132E88.2Confident89.6Confident117 Ų11765 Ų6555%0.54736%0.355SS..EExtended strand (participates in β ladder)trans-96.9112.5173.6-74.8-177.3165.500109.8R137E132-R137 HydrophobicContact CG-CG 3.75Å; E132-R137 IonicContact OE1-CZ 2.81Å; E132-R137 IonicContact OE1-NE 3.39Å; E132-R137 PolarHBondContact OE1-NE 3.28Å; E132-R137 IonicContact OE1-NH2 3.66Å; E132-R137 PolarHBondContact OE1-NH2 2.98Å
133D81.7Confident89.5Confident46 Ų4666.6 Ų66.625%0.24636%0.362CS..EExtended strand (participates in β ladder)trans-95.288.2171.4-163.618.7000110.1F131 N135 V136 R138 R155F131-D133 HydrophobicContact CD2-CB 4.32Å; F131-D133 HydrophobicContact CE2-CB 3.54Å; F131-D133 HydrophobicContact CZ-CB 3.97Å; D133-N135 PolarHBondContact O-N 2.89Å; D133-N135 VanDerWaalsContact O-N 3.08Å; D133-V136 PolarHBondContact N-O 2.93Å; D133-V136 PolarHBondContact O-N 2.8Å; D133-R138 HydrophobicContact CB-CG 4.12Å; D133-R155 IonicContact OD1-CZ 3.17Å; D133-R155 VanDerWaalsContact OD1-CZ 3.27Å; D133-R155 IonicContact OD1-NH1 2.79Å; D133-R155 PolarHBondContact OD1-NH1 2.98Å; D133-R155 IonicContact OD1-NH2 3.43Å; D133-R155 PolarHBondContact OD1-NH2 3.42Å
134G80.4Confident89.4Confident60 Ų6067 Ų6762%0.61936%0.363SS*.THydrogen-bonded Turntrans64.9-109.9-172.600000110.7
135N81.5Confident89.4Confident177 Ų17766.5 Ų66.595%0.94736%0.362SS*.THydrogen-bonded Turntrans-98.50.9177.8-68-15.1000113.3D133D133-N135 PolarHBondContact O-N 2.89Å; D133-N135 VanDerWaalsContact O-N 3.08Å
136V85.9Confident89.3Confident68 Ų6869.2 Ų69.241%0.41237%0.374SS..EExtended strand (participates in β ladder)trans-106.8119-176.3-175.30000109.7D133 R138D133-V136 PolarHBondContact N-O 2.93Å; D133-V136 PolarHBondContact O-N 2.8Å; V136-R138 HydrophobicContact CG1-CG 4.48Å; V136-R138 PolarHBondContact O-N 3.07Å
137R89.7Confident89.2Confident190 Ų19070.1 Ų70.172%0.71738%0.382SS*.EExtended strand (participates in β ladder)trans-76.6113.6169.7-76.7176177.6179.31.4109E132E132-R137 HydrophobicContact CG-CG 3.75Å; E132-R137 IonicContact OE1-CZ 2.81Å; E132-R137 IonicContact OE1-NE 3.39Å; E132-R137 PolarHBondContact OE1-NE 3.28Å; E132-R137 IonicContact OE1-NH2 3.66Å; E132-R137 PolarHBondContact OE1-NH2 2.98Å
138R90Very high89.1Confident43 Ų4371 Ų7116%0.16239%0.391CS..EExtended strand (participates in β ladder)trans-97.2133.5176.3-63.1-66.2-171.7-177.72109.6A127 D130 F131 D133 V136 E142 W144A127-R138 HydrophobicContact CB-CB 4.33Å; D130-R138 WeakPolarHBondContact CA-O 3.26Å; F131-R138 HydrophobicContact CD1-CB 3.83Å; F131-R138 HydrophobicContact CE1-CB 3.53Å; F131-R138 HydrophobicContact CE1-CG 3.92Å; F131-R138 HydrophobicContact CZ-CB 4.11Å; F131-R138 HydrophobicContact CZ-CG 3.98Å; F131-R138 PolarHBondContact N-O 3.29Å; F131-R138 PolarHBondContact O-N 2.77Å; D133-R138 HydrophobicContact CB-CG 4.12Å; V136-R138 HydrophobicContact CG1-CG 4.48Å; V136-R138 PolarHBondContact O-N 3.07Å; R138-E142 VanDerWaalsContact CA-OE2 3.29Å; R138-E142 WeakPolarHBondContact CA-OE2 3.44Å; R138-E142 WeakPolarHBondContact CD-OE1 3.21Å; R138-E142 IonicContact CZ-OE1 2.76Å; R138-E142 IonicContact NE-OE1 3.95Å; R138-E142 IonicContact NH1-OE1 3.63Å; R138-E142 PolarHBondContact NH1-OE1 3.3Å; R138-W144 HydrophobicContact CG-CH2 4.34Å; R138-W144 HydrophobicContact CG-CZ3 4.28Å
139I91Very high89.1Confident108 Ų10871.6 Ų71.655%0.55440%0.397SS*.PPolyproline II helixtrans-100.7145.7179-55.2170.3000109.1A127 D130 G141 E142A127-I139 VanDerWaalsContact CB-O 3.26Å; A127-I139 WeakPolarHBondContact CB-O 3.37Å; D130-I139 WeakPolarHBondContact OD1-CA 3.23Å; I139-G141 PolarHBondContact O-N 2.93Å; I139-E142 PolarHBondContact N-OE2 3.34Å; I139-E142 WeakPolarHBondContact O-CB 3.45Å; I139-E142 PolarHBondContact O-N 3.13Å
140A89.3Confident89.2Confident50 Ų5070.4 Ų70.441%0.41339%0.392SS..THydrogen-bonded Turntrans-52.2129.1175.200000111.7D130 E142D130-A140 PolarHBondContact OD1-N 3.31Å; A140-E142 VanDerWaalsContact C-N 3.34Å
141G87Confident89.3Confident42 Ų4266.8 Ų66.843%0.43337%0.374SS..THydrogen-bonded Turntrans86.9-9-174.900000115A127 I139A127-G141 PolarHBondContact O-N 3Å; I139-G141 PolarHBondContact O-N 2.93Å
142E91Very high89.4Confident53 Ų5366.4 Ų66.425%0.24837%0.372CS..  trans-66.3134.4173.7-171.3-174.2157.300110.6R126 A127 R138 I139 A140 W144R126-E142 CarbonylContact C-O 3.45Å; R126-E142 WeakPolarHBondContact CA-O 3.41Å; A127-E142 PolarHBondContact N-O 2.91Å; R138-E142 VanDerWaalsContact CA-OE2 3.29Å; R138-E142 WeakPolarHBondContact CA-OE2 3.44Å; R138-E142 WeakPolarHBondContact CD-OE1 3.21Å; R138-E142 IonicContact CZ-OE1 2.76Å; R138-E142 IonicContact NE-OE1 3.95Å; R138-E142 IonicContact NH1-OE1 3.63Å; R138-E142 PolarHBondContact NH1-OE1 3.3Å; I139-E142 PolarHBondContact N-OE2 3.34Å; I139-E142 WeakPolarHBondContact O-CB 3.45Å; I139-E142 PolarHBondContact O-N 3.13Å; A140-E142 VanDerWaalsContact C-N 3.34Å; E142-W144 WeakPolarHBondContact O-CZ3 3.34Å
143E92.4Very high89.6Confident33 Ų3366.3 Ų66.315%0.15437%0.368CS..EExtended strand (participates in β ladder)trans-114.1138.4178.4-64.1-173166.100111.4R124 L125 R126 V209R124-E143 IonicContact CZ-OE2 3.27Å; R124-E143 IonicContact NE-OE2 2.96Å; R124-E143 PolarHBondContact NE-OE2 3.2Å; R124-E143 IonicContact NH2-OE2 2.66Å; R124-E143 PolarHBondContact NH2-OE2 2.75Å; L125-E143 CarbonylContact O-C 3.51Å; L125-E143 WeakPolarHBondContact O-CA 3.31Å; L125-E143 WeakPolarHBondContact O-CB 3.39Å; R126-E143 HydrophobicContact CB-CG 3.9Å; R126-E143 HydrophobicContact CG-CG 3.98Å; R126-E143 IonicContact NH1-OE1 3.06Å; R126-E143 PolarHBondContact NH1-OE1 3.09Å; E143-V209 HydrophobicContact CB-CG1 3.52Å
144W92.3Very high90.1Very high24 Ų2464.4 Ų64.49%0.09136%0.358CS..EExtended strand (participates in β ladder)trans-142.2167.7175.970.5100.8000111.2L125 A127 F131 R138 E142 V158L125-W144 HydrophobicContact CB-CD2 4.05Å; L125-W144 HydrophobicContact CB-CE3 4.44Å; L125-W144 HydrophobicContact CB-CH2 4.3Å; L125-W144 HydrophobicContact CB-CZ2 3.91Å; L125-W144 HydrophobicContact CD1-CZ2 4.03Å; L125-W144 PolarHBondContact N-O 3.3Å; L125-W144 PolarHBondContact O-N 2.83Å; A127-W144 HydrophobicContact CB-CH2 4.27Å; A127-W144 HydrophobicContact CB-CZ3 3.85Å; F131-W144 AromaticContact CE1-CH2 3.94Å; F131-W144 HydrophobicContact CE1-CH2 3.94Å; F131-W144 AromaticContact CZ-CH2 3.86Å; F131-W144 HydrophobicContact CZ-CH2 3.86Å; F131-W144 HydrophobicContact CZ-CZ2 4.18Å; R138-W144 HydrophobicContact CG-CH2 4.34Å; R138-W144 HydrophobicContact CG-CZ3 4.28Å; E142-W144 WeakPolarHBondContact O-CZ3 3.34Å; W144-V158 HydrophobicContact CH2-CB 4.35Å; W144-V158 HydrophobicContact CH2-CG1 3.67Å; W144-V158 HydrophobicContact CH2-CG2 3.78Å; W144-V158 HydrophobicContact CZ2-CG1 3.74Å; W144-V158 HydrophobicContact CZ2-CG2 3.98Å
145L92.8Very high90.6Very high27 Ų2766.3 Ų66.314%0.14135%0.346CS..EExtended strand (participates in β ladder)trans-101.5135.7175.4-64180000110.5A122 L123 R124 E147 E164 P207 V209A122-L145 HydrophobicContact CB-CB 3.95Å; A122-L145 HydrophobicContact CB-CD1 4.29Å; A122-L145 HydrophobicContact CB-CD2 4.06Å; A122-L145 HydrophobicContact CB-CG 4.3Å; L123-L145 CarbonylContact O-C 3.59Å; L123-L145 WeakPolarHBondContact O-CA 3.4Å; R124-L145 HydrophobicContact CB-CD2 3.98Å; R124-L145 HydrophobicContact CG-CD2 4.29Å; L145-E147 HydrophobicContact CB-CG 4.17Å; L145-E164 HydrophobicContact CD2-CG 4.27Å; L145-P207 WeakPolarHBondContact CD1-O 3.34Å; L145-V209 HydrophobicContact CD1-CG2 4.5Å; L145-V209 HydrophobicContact CD2-CG2 4.04Å; L145-V209 HydrophobicContact CG-CG2 3.68Å
146F93.2Very high91Very high58 Ų5861.6 Ų61.625%0.25432%0.317SS..EExtended strand (participates in β ladder)trans-96.9101.5159.1178.7-90.8000107.9V117 A122 L123 L125 Y152V117-F146 HydrophobicContact CB-CD1 4.26Å; V117-F146 HydrophobicContact CB-CE1 4.21Å; V117-F146 HydrophobicContact CG2-CD1 3.69Å; V117-F146 HydrophobicContact CG2-CE1 3.84Å; A122-F146 CarbonylContact C-O 3.53Å; A122-F146 WeakPolarHBondContact CA-O 3.44Å; A122-F146 WeakPolarHBondContact CB-O 3.45Å; L123-F146 HydrophobicContact CB-CB 4.42Å; L123-F146 PolarHBondContact N-O 3.13Å; L123-F146 PolarHBondContact O-N 3.49Å; L125-F146 HydrophobicContact CD1-CB 3.82Å; L125-F146 HydrophobicContact CG-CB 4.46Å; F146-Y152 HydrophobicContact CB-CD2 4.32Å; F146-Y152 HydrophobicContact CD1-CD2 4.24Å; F146-Y152 HydrophobicContact CD1-CG 4.43Å; F146-Y152 AromaticContact CD2-CD2 3.8Å; F146-Y152 HydrophobicContact CD2-CD2 3.8Å; F146-Y152 HydrophobicContact CE2-CD2 4.12Å; F146-Y152 AromaticContact CG-CD2 3.85Å; F146-Y152 HydrophobicContact CG-CD2 3.85Å; F146-Y152 HydrophobicContact CG-CG 4.46Å; F146-Y152 HydrophobicContact CZ-CD2 4.48Å
147E92.3Very high91.3Very high94 Ų9460.3 Ų60.344%0.43931%0.307SS..EExtended strand (participates in β ladder)trans-81.5134.8-175.7-59.1-174.7-174.900111.2A122 L145 R186 L206A122-E147 HydrophobicContact CB-CG 4.26Å; L145-E147 HydrophobicContact CB-CG 4.17Å; E147-R186 VanDerWaalsContact CD-NH2 3.31Å; E147-R186 IonicContact OE1-CZ 3.34Å; E147-R186 VanDerWaalsContact OE1-CZ 3.29Å; E147-R186 IonicContact OE1-NH1 2.88Å; E147-R186 PolarHBondContact OE1-NH1 3.43Å; E147-R186 VanDerWaalsContact OE1-NH1 3.08Å; E147-R186 IonicContact OE1-NH2 2.74Å; E147-R186 PolarHBondContact OE1-NH2 2.86Å; E147-R186 IonicContact OE2-CZ 3.83Å; E147-R186 IonicContact OE2-NH1 3.98Å; E147-R186 PolarHBondContact OE2-NH1 3.5Å; E147-R186 IonicContact OE2-NH2 2.81Å; E147-L206 HydrophobicContact CG-CD2 4.23Å
148G90.2Very high91.4Very high19 Ų1951.8 Ų51.820%0.19628%0.276CS..SBendtrans-77.7169.4173.100000113.1S121S121-G148 PolarHBondContact O-N 3.25Å
149P91.8Very high91.6Very high105 Ų10553.8 Ų53.868%0.68229%0.287SS*.SBendcis-79.5129.31.529-31.6000112.8V117 P119V117-P149 WeakPolarHBondContact O-CA 3.43Å; P119-P149 HydrophobicContact CG-CB 4Å; P119-P149 HydrophobicContact CG-CG 4.3Å
150G91.5Very high91.6Very high25 Ų2551.8 Ų51.826%0.25828%0.277SS..EExtended strand (participates in β ladder)trans-176.3156.9178.200000113.2V117V117-G150 PolarHBondContact N-O 3.46Å; V117-G150 PolarHBondContact O-N 3.45Å; V117-G150 VanDerWaalsContact O-N 3.1Å
151T92Very high91.7Very high39 Ų3951.9 Ų51.924%0.23927%0.272CS..EExtended strand (participates in β ladder)trans-94.9121.7172.4-570000108.9M58 L114 Y153M58-T151 HydrophobicContact SD-CG2 4.16Å; L114-T151 HydrophobicContact CB-CG2 3.45Å; L114-T151 VanDerWaalsContact CB-CG2 3.45Å; L114-T151 HydrophobicContact CD1-CG2 3.84Å; L114-T151 HydrophobicContact CG-CG2 4.27Å; T151-Y153 HydrophobicContact CG2-CE2 4.29Å
152Y93.7Very high91.9Very high17 Ų1754.5 Ų54.57%0.06727%0.272CS..  trans-83.2134.3178.1-179.8-114.7000110.5P115 L123 L125 F146 P154 V158 I160P115-Y152 WeakPolarHBondContact CD-O 3.23Å; P115-Y152 HydrophobicContact CG-CD1 4.41Å; P115-Y152 PolarHBondContact O-N 3.33Å; L123-Y152 HydrophobicContact CD1-CD1 4.12Å; L123-Y152 HydrophobicContact CD1-CG 4.15Å; L125-Y152 HydrophobicContact CD1-CD2 4.08Å; L125-Y152 HydrophobicContact CD1-CE1 4.43Å; L125-Y152 HydrophobicContact CD1-CE2 3.36Å; L125-Y152 HydrophobicContact CD2-CD1 4.44Å; L125-Y152 HydrophobicContact CD2-CE1 3.8Å; L125-Y152 HydrophobicContact CD2-CE2 4.25Å; L125-Y152 HydrophobicContact CG-CE2 4.46Å; F146-Y152 HydrophobicContact CB-CD2 4.32Å; F146-Y152 HydrophobicContact CD1-CD2 4.24Å; F146-Y152 HydrophobicContact CD1-CG 4.43Å; F146-Y152 AromaticContact CD2-CD2 3.8Å; F146-Y152 HydrophobicContact CD2-CD2 3.8Å; F146-Y152 HydrophobicContact CE2-CD2 4.12Å; F146-Y152 AromaticContact CG-CD2 3.85Å; F146-Y152 HydrophobicContact CG-CD2 3.85Å; F146-Y152 HydrophobicContact CG-CG 4.46Å; F146-Y152 HydrophobicContact CZ-CD2 4.48Å; Y152-P154 HydrophobicContact CD1-CG 4.14Å; Y152-P154 HydrophobicContact CE1-CB 4.23Å; Y152-P154 HydrophobicContact CE1-CG 4.16Å; Y152-P154 WeakPolarHBondContact O-CD 3.46Å; Y152-V158 WeakPolarHBondContact OH-CB 3.34Å; Y152-V158 WeakPolarHBondContact OH-CG1 3.48Å; Y152-I160 HydrophobicContact CD1-CD1 3.91Å; Y152-I160 HydrophobicContact CD1-CG1 4.3Å; Y152-I160 HydrophobicContact CE1-CD1 3.87Å; Y152-I160 HydrophobicContact CE1-CG1 3.86Å
153Y92.7Very high91.9Very high114 Ų11455.7 Ų55.745%0.44729%0.285SS..  trans-103.7104.8175-75.6-102.6000109F94 L114 T151F94-Y153 AromaticContact CD1-CD1 3.63Å; F94-Y153 HydrophobicContact CD1-CD1 3.63Å; F94-Y153 HydrophobicContact CD1-CE1 4.16Å; F94-Y153 AromaticContact CE1-CD1 3.61Å; F94-Y153 HydrophobicContact CE1-CD1 3.61Å; F94-Y153 HydrophobicContact CE1-CG 4.35Å; F94-Y153 HydrophobicContact CG-CD1 4.13Å; F94-Y153 HydrophobicContact CG-CE1 4.45Å; F94-Y153 HydrophobicContact CZ-CD1 4.09Å; L114-Y153 HydrophobicContact CD1-CD1 3.97Å; L114-Y153 HydrophobicContact CD1-CE1 3.48Å; L114-Y153 VanDerWaalsContact CD1-CE1 3.48Å; L114-Y153 HydrophobicContact CD1-CE2 4.19Å; L114-Y153 HydrophobicContact CD2-CD1 4.11Å; L114-Y153 HydrophobicContact CD2-CE1 4.44Å; L114-Y153 HydrophobicContact CD2-CG 4.45Å; T151-Y153 HydrophobicContact CG2-CE2 4.29Å
154P92.2Very high91.8Very high6 Ų656 Ų564%0.03929%0.286CS..  trans-62.3148.9-177.6-2537.1000112.5Y60 Y92 F94 P115 Y152Y60-P154 HydrophobicContact CD1-CG 4.41Å; Y60-P154 HydrophobicContact CE1-CG 3.92Å; Y60-P154 HydrophobicContact CE2-CB 4.19Å; Y60-P154 HydrophobicContact CE2-CG 4.13Å; Y92-P154 HydrophobicContact CD1-CB 3.87Å; Y92-P154 WeakPolarHBondContact CD1-O 3.31Å; Y92-P154 HydrophobicContact CE1-CB 3.67Å; F94-P154 WeakPolarHBondContact CZ-O 3.48Å; P115-P154 HydrophobicContact CG-CG 4.44Å; Y152-P154 HydrophobicContact CD1-CG 4.14Å; Y152-P154 HydrophobicContact CE1-CB 4.23Å; Y152-P154 HydrophobicContact CE1-CG 4.16Å; Y152-P154 WeakPolarHBondContact O-CD 3.46Å
155R90.7Very high91.8Very high100 Ų10062.1 Ų62.138%0.37732%0.316SS..  trans-129.9161.9177.9-62.3-170.4-179.1175.214.4110.2D133 E157 V158D133-R155 IonicContact OD1-CZ 3.17Å; D133-R155 VanDerWaalsContact OD1-CZ 3.27Å; D133-R155 IonicContact OD1-NH1 2.79Å; D133-R155 PolarHBondContact OD1-NH1 2.98Å; D133-R155 IonicContact OD1-NH2 3.43Å; D133-R155 PolarHBondContact OD1-NH2 3.42Å; R155-E157 VanDerWaalsContact C-N 3.3Å; R155-E157 WeakPolarHBondContact CB-OE2 3.29Å; R155-E157 PolarHBondContact O-N 3.2Å; R155-V158 HydrophobicContact CB-CG2 4.24Å; R155-V158 PolarHBondContact O-N 2.98Å; R155-V158 VanDerWaalsContact O-O 3.13Å
156K89.3Confident91.8Very high79 Ų7961.9 Ų61.934%0.34332%0.318SS..THydrogen-bonded Turntrans-69.6-29.6178.969-178.8-166.2169.20112.7D89 E90 Y92 V158D89-K156 VanDerWaalsContact CG-NZ 3.26Å; D89-K156 WeakPolarHBondContact OD1-CD 3.4Å; D89-K156 IonicContact OD1-NZ 3.35Å; D89-K156 PolarHBondContact OD1-NZ 2.92Å; D89-K156 IonicContact OD2-NZ 3.69Å; D89-K156 PolarHBondContact OD2-NZ 3.26Å; E90-K156 HydrophobicContact CB-CB 4.47Å; E90-K156 WeakPolarHBondContact O-CD 3.41Å; Y92-K156 HydrophobicContact CD2-CB 3.94Å; Y92-K156 HydrophobicContact CE2-CB 3.64Å; K156-V158 VanDerWaalsContact C-N 3.26Å; K156-V158 PolarHBondContact O-N 3.28Å
157E91.6Very high91.7Very high41 Ų4163 Ų6319%0.19232%0.323CS..THydrogen-bonded Turntrans-81.9-4.8-178.4-52.883.9-176.800112.6A127 V128 F131 R155A127-E157 CarbonylContact C-O 3.59Å; A127-E157 WeakPolarHBondContact CA-O 3.2Å; V128-E157 PolarHBondContact N-O 3.09Å; F131-E157 HydrophobicContact CB-CB 4.04Å; F131-E157 HydrophobicContact CB-CG 3.86Å; F131-E157 HydrophobicContact CD1-CB 3.59Å; F131-E157 HydrophobicContact CD1-CG 4.37Å; F131-E157 HydrophobicContact CD2-CB 4.22Å; F131-E157 HydrophobicContact CE1-CB 4.05Å; F131-E157 HydrophobicContact CG-CB 3.69Å; F131-E157 HydrophobicContact CG-CG 4.02Å; R155-E157 VanDerWaalsContact C-N 3.3Å; R155-E157 WeakPolarHBondContact CB-OE2 3.29Å; R155-E157 PolarHBondContact O-N 3.2Å
158V93.3Very high91.6Very high11 Ų1163 Ų637%0.06733%0.329CS..EExtended strand (participates in β ladder)trans-128.4128-170.4-169.80000112.1L125 R126 F131 W144 Y152 R155 K156L125-V158 HydrophobicContact CB-CG1 3.74Å; L125-V158 HydrophobicContact CD1-CG1 4.21Å; L125-V158 HydrophobicContact CD2-CG1 4.12Å; L125-V158 HydrophobicContact CG-CG1 4.23Å; R126-V158 WeakPolarHBondContact O-CA 3.43Å; F131-V158 HydrophobicContact CE1-CG2 3.71Å; F131-V158 HydrophobicContact CE2-CG2 4.1Å; F131-V158 HydrophobicContact CZ-CG2 3.32Å; W144-V158 HydrophobicContact CH2-CB 4.35Å; W144-V158 HydrophobicContact CH2-CG1 3.67Å; W144-V158 HydrophobicContact CH2-CG2 3.78Å; W144-V158 HydrophobicContact CZ2-CG1 3.74Å; W144-V158 HydrophobicContact CZ2-CG2 3.98Å; Y152-V158 WeakPolarHBondContact OH-CB 3.34Å; Y152-V158 WeakPolarHBondContact OH-CG1 3.48Å; R155-V158 HydrophobicContact CB-CG2 4.24Å; R155-V158 PolarHBondContact O-N 2.98Å; R155-V158 VanDerWaalsContact O-O 3.13Å; K156-V158 VanDerWaalsContact C-N 3.26Å; K156-V158 PolarHBondContact O-N 3.28Å
159E92.8Very high91.7Very high84 Ų8462.2 Ų62.239%0.39332%0.32SS..EExtended strand (participates in β ladder)trans-102.1134.2174.7-175.8-176-167.200110.6L125 R126 V128 V161L125-E159 CarbonylContact C-O 3.57Å; L125-E159 WeakPolarHBondContact CA-O 3.22Å; R126-E159 IonicContact CZ-OE2 2.85Å; R126-E159 VanDerWaalsContact CZ-OE2 3.29Å; R126-E159 PolarHBondContact N-O 2.9Å; R126-E159 IonicContact NE-OE2 3.32Å; R126-E159 PolarHBondContact NE-OE2 2.95Å; R126-E159 VanDerWaalsContact NH2-CD 3.3Å; R126-E159 IonicContact NH2-OE1 3.37Å; R126-E159 PolarHBondContact NH2-OE1 3.17Å; R126-E159 IonicContact NH2-OE2 3.68Å; R126-E159 PolarHBondContact NH2-OE2 3.44Å; R126-E159 PolarHBondContact O-N 3.32Å; V128-E159 HydrophobicContact CG2-CB 3.72Å; E159-V161 PolarHBondContact O-N 3.41Å
160I91.6Very high91.6Very high66 Ų6662.9 Ų62.934%0.33832%0.317SS..EExtended strand (participates in β ladder)trans-84.7110.5171.7-56.7172.1000108P115 L123 L125 Y152P115-I160 HydrophobicContact CG-CD1 3.95Å; L123-I160 HydrophobicContact CD2-CG2 3.94Å; L125-I160 HydrophobicContact CD2-CB 4.3Å; L125-I160 HydrophobicContact CD2-CG1 3.75Å; Y152-I160 HydrophobicContact CD1-CD1 3.91Å; Y152-I160 HydrophobicContact CD1-CG1 4.3Å; Y152-I160 HydrophobicContact CE1-CD1 3.87Å; Y152-I160 HydrophobicContact CE1-CG1 3.86Å
161V91.4Very high91.5Very high52 Ų5266.9 Ų66.932%0.31534%0.337SS..EExtended strand (participates in β ladder)trans-81.3-54.4-176.7-1760000111.3R124 R126 E159R124-V161 HydrophobicContact CB-CB 4.44Å; R124-V161 HydrophobicContact CG-CB 4.37Å; R124-V161 WeakPolarHBondContact O-CB 3.37Å; R124-V161 PolarHBondContact O-N 2.86Å; R126-V161 HydrophobicContact CB-CG2 3.57Å; E159-V161 PolarHBondContact O-N 3.41Å
162K91.5Very high91.3Very high97 Ų9768.5 Ų68.542%0.42234%0.344SS..EExtended strand (participates in β ladder)trans-162.4168.1179.556168162.4154.10112.5R124 E164R124-K162 HydrophobicContact CB-CG 4.02Å; R124-K162 PolarHBondContact N-O 2.85Å; K162-E164 WeakPolarHBondContact CD-OE1 3.43Å; K162-E164 WeakPolarHBondContact CE-OE1 3.43Å; K162-E164 IonicContact NZ-OE1 2.79Å; K162-E164 PolarHBondContact NZ-OE1 2.84Å; K162-E164 IonicContact NZ-OE2 2.76Å
163C90.6Very high91.2Very high78 Ų7868.8 Ų68.853%0.52735%0.349SS..EExtended strand (participates in β ladder)trans-95.6129.7168.3-171.50000109.6A122 L123A122-C163 CarbonylContact O-C 3.44Å; A122-C163 WeakPolarHBondContact O-CA 3.44Å; L123-C163 HydrophobicContact CD2-CB 4.23Å
164E90.5Very high91.2Very high40 Ų4063.4 Ų63.419%0.18733%0.328CS..EExtended strand (participates in β ladder)trans-105.9140.2176.6-64.4-73.2-172.400109.5S121 A122 R124 L145 K162 L206S121-E164 CarbonylContact C-O 3.55Å; S121-E164 WeakPolarHBondContact CA-O 3.12Å; S121-E164 WeakPolarHBondContact CB-O 3.2Å; A122-E164 PolarHBondContact N-O 2.85Å; A122-E164 PolarHBondContact O-N 2.82Å; R124-E164 HydrophobicContact CB-CG 4.41Å; R124-E164 IonicContact NH1-OE1 3.71Å; L145-E164 HydrophobicContact CD2-CG 4.27Å; K162-E164 WeakPolarHBondContact CD-OE1 3.43Å; K162-E164 WeakPolarHBondContact CE-OE1 3.43Å; K162-E164 IonicContact NZ-OE1 2.79Å; K162-E164 PolarHBondContact NZ-OE1 2.84Å; K162-E164 IonicContact NZ-OE2 2.76Å; E164-L206 HydrophobicContact CB-CD1 4.21Å
165Q92Very high91.2Very high152 Ų15263.3 Ų63.371%0.7133%0.327SS*.EExtended strand (participates in β ladder)trans-116144.3175.8-68.1-174.5-3.700110.4
166A92.2Very high91.3Very high23 Ų2358.7 Ų58.719%0.1931%0.31CS..PPolyproline II helixtrans-69.2142.5175.900000111.4N120 A204 Y205 L206N120-A166 HydrophobicContact CB-CB 3.85Å; N120-A166 VanDerWaalsContact O-CB 3.31Å; N120-A166 WeakPolarHBondContact O-CB 3.46Å; N120-A166 PolarHBondContact O-N 2.98Å; A166-A204 HydrophobicContact CB-CB 3.89Å; A166-Y205 CarbonylContact C-O 3.5Å; A166-Y205 WeakPolarHBondContact CA-O 3.34Å; A166-L206 HydrophobicContact CB-CB 3.93Å; A166-L206 HydrophobicContact CB-CD1 4.18Å
167K91.1Very high91.5Very high81 Ų8155 Ų5535%0.35229%0.293SS..EExtended strand (participates in β ladder)trans-94.2131.4172.6-173.371.2-179.4-156.70109.5L175 Y205 I213 E216K167-L175 HydrophobicContact CB-CD1 3.99Å; K167-L175 HydrophobicContact CG-CD1 3.9Å; K167-L175 HydrophobicContact CG-CD2 4.2Å; K167-Y205 PolarHBondContact N-O 2.81Å; K167-Y205 PolarHBondContact O-N 3.23Å; K167-I213 HydrophobicContact CB-CD1 3.87Å; K167-I213 HydrophobicContact CG-CD1 4.18Å; K167-E216 WeakPolarHBondContact CE-OE1 3.32Å; K167-E216 IonicContact NZ-OE1 3.07Å; K167-E216 PolarHBondContact NZ-OE1 3.41Å
168V91.1Very high91.6Very high93 Ų9355 Ų5556%0.56429%0.294SS*.EExtended strand (participates in β ladder)trans-81.2121.1179.2-178.30000110L170V168-L170 HydrophobicContact CG1-CD2 4.31Å
169I91.2Very high91.6Very high3 Ų354.5 Ų54.52%0.01529%0.291CS..EExtended strand (participates in β ladder)trans-94.1120.7171.5-49.1-173.7000107.7S173 L175 V199 P202 G203 Y205I169-S173 VanDerWaalsContact CG2-O 3.27Å; I169-S173 WeakPolarHBondContact CG2-O 3.32Å; I169-L175 HydrophobicContact CD1-CB 4.38Å; I169-L175 HydrophobicContact CD1-CD1 3.74Å; I169-L175 HydrophobicContact CD1-CG 3.78Å; I169-L175 HydrophobicContact CG1-CD1 3.73Å; I169-L175 HydrophobicContact CG1-CG 3.81Å; I169-V199 HydrophobicContact CD1-CB 4.18Å; I169-V199 HydrophobicContact CD1-CG1 3.63Å; I169-P202 WeakPolarHBondContact O-CA 3.33Å; I169-G203 PolarHBondContact N-O 3.31Å; I169-G203 PolarHBondContact O-N 3.01Å; I169-Y205 HydrophobicContact CD1-CG 4.23Å
170L90.4Very high91.5Very high119 Ų11952.7 Ų52.762%0.62329%0.285SS*.PPolyproline II helixtrans-80.9164.3176.6-60.7176.9000110.7V168 N172 S173V168-L170 HydrophobicContact CG1-CD2 4.31Å; L170-N172 PolarHBondContact O-N 3.43Å; L170-S173 PolarHBondContact N-OG 2.93Å; L170-S173 PolarHBondContact O-N 2.98Å; L170-S173 VanDerWaalsContact O-N 3.15Å; L170-S173 PolarHBondContact O-OG 2.84Å; L170-S173 VanDerWaalsContact O-OG 3.08Å
171V89.1Confident91.4Very high109 Ų10955 Ų5566%0.66129%0.293SS*.THydrogen-bonded Turntrans-59138.8168.2-176.60000108.7S173 P202V171-S173 PolarHBondContact O-N 2.96Å; V171-P202 HydrophobicContact CG2-CB 4.32Å; V171-P202 HydrophobicContact CG2-CG 4.38Å
172N88.3Confident91.3Very high73 Ų7357.9 Ų57.939%0.3931%0.307SS..THydrogen-bonded Turntrans61.122-176.5-57.5-22000114.2L170 A219L170-N172 PolarHBondContact O-N 3.43Å; N172-A219 HydrophobicContact CB-CB 3.8Å; N172-A219 WeakPolarHBondContact O-CB 3.45Å; N172-A219 PolarHBondContact O-N 3.4Å
173S92Very high91.2Very high24 Ų2454.4 Ų54.417%0.16829%0.294CS..EExtended strand (participates in β ladder)trans-126.5164.4167.581.60000110.9I169 L170 V171 R217I169-S173 VanDerWaalsContact CG2-O 3.27Å; I169-S173 WeakPolarHBondContact CG2-O 3.32Å; L170-S173 PolarHBondContact N-OG 2.93Å; L170-S173 PolarHBondContact O-N 2.98Å; L170-S173 VanDerWaalsContact O-N 3.15Å; L170-S173 PolarHBondContact O-OG 2.84Å; L170-S173 VanDerWaalsContact O-OG 3.08Å; V171-S173 PolarHBondContact O-N 2.96Å; S173-R217 CarbonylContact C-O 3.52Å; S173-R217 VanDerWaalsContact CA-O 3.23Å; S173-R217 WeakPolarHBondContact CA-O 3.36Å
174A91.6Very high91.2Very high1 Ų155.4 Ų55.41%0.00830%0.297CS..EExtended strand (participates in β ladder)trans-151.5153.3-17900000111.6L198 V199 T200 R217 I261A174-L198 HydrophobicContact CB-CD1 3.6Å; A174-L198 HydrophobicContact CB-CD2 3.86Å; A174-L198 HydrophobicContact CB-CG 3.62Å; A174-V199 CarbonylContact C-O 3.54Å; A174-V199 WeakPolarHBondContact CA-O 3.39Å; A174-V199 WeakPolarHBondContact CB-O 3.19Å; A174-T200 HydrophobicContact CB-CG2 3.86Å; A174-R217 PolarHBondContact N-O 2.83Å; A174-R217 PolarHBondContact O-N 2.85Å; A174-I261 HydrophobicContact CB-CD1 4.28Å; A174-I261 HydrophobicContact CB-CG2 4.01Å
175L92.9Very high91.1Very high4 Ų453.8 Ų53.82%0.02129%0.29CS..EExtended strand (participates in β ladder)trans-99.9133172.7-59.4179000109.5K167 I169 M177 L198 V199 Y205 I213 E216K167-L175 HydrophobicContact CB-CD1 3.99Å; K167-L175 HydrophobicContact CG-CD1 3.9Å; K167-L175 HydrophobicContact CG-CD2 4.2Å; I169-L175 HydrophobicContact CD1-CB 4.38Å; I169-L175 HydrophobicContact CD1-CD1 3.74Å; I169-L175 HydrophobicContact CD1-CG 3.78Å; I169-L175 HydrophobicContact CG1-CD1 3.73Å; I169-L175 HydrophobicContact CG1-CG 3.81Å; L175-M177 HydrophobicContact CB-SD 3.94Å; L175-L198 WeakPolarHBondContact O-CA 3.45Å; L175-V199 PolarHBondContact N-O 2.84Å; L175-V199 PolarHBondContact O-N 3.33Å; L175-Y205 HydrophobicContact CD1-CD1 4.49Å; L175-I213 HydrophobicContact CD1-CD1 4.18Å; L175-I213 HydrophobicContact CD1-CG1 4.43Å; L175-I213 HydrophobicContact CD2-CG2 4.24Å; L175-E216 HydrophobicContact CD2-CG 3.7Å
176V92.6Very high90.7Very high3 Ų351.7 Ų51.72%0.01828%0.276CS..EExtended strand (participates in β ladder)trans-87.2115.6166.7-175.60000107.3R196 W197 L198 V214 D215 R217 A264V176-R196 HydrophobicContact CG1-CB 4.38Å; V176-W197 WeakPolarHBondContact CA-O 3.36Å; V176-L198 HydrophobicContact CG2-CD1 3.84Å; V176-V214 HydrophobicContact CG1-CB 4.5Å; V176-V214 PolarHBondContact O-N 2.9Å; V176-D215 HydrophobicContact CB-CB 3.94Å; V176-D215 HydrophobicContact CG2-CB 3.95Å; V176-D215 PolarHBondContact N-O 3.06Å; V176-D215 PolarHBondContact O-N 2.86Å; V176-R217 HydrophobicContact CG2-CG 3.89Å; V176-A264 HydrophobicContact CG1-CB 4.21Å
177M92.9Very high90.3Very high0 Ų054.9 Ų54.90%030%0.297CS..EExtended strand (participates in β ladder)trans-99.1150.6178.4-55.7-55.9-65.500109.8L175 R196 W197 V199 Y205 P207 E211 Q212 I213L175-M177 HydrophobicContact CB-SD 3.94Å; M177-R196 CarbonylContact O-C 3.6Å; M177-R196 WeakPolarHBondContact O-CA 3.47Å; M177-W197 HydrophobicContact CB-CD2 3.76Å; M177-W197 VanDerWaalsContact CB-CE2 3.4Å; M177-W197 HydrophobicContact CB-CE3 4.11Å; M177-W197 HydrophobicContact CB-CG 4.38Å; M177-W197 HydrophobicContact CB-CH2 3.84Å; M177-W197 HydrophobicContact CB-CZ2 3.46Å; M177-W197 VanDerWaalsContact CB-CZ2 3.46Å; M177-W197 HydrophobicContact CB-CZ3 4.15Å; M177-W197 HydrophobicContact CG-CZ2 4.12Å; M177-W197 PolarHBondContact N-O 2.88Å; M177-W197 PolarHBondContact O-N 3.41Å; M177-V199 HydrophobicContact CG-CG2 3.59Å; M177-Y205 HydrophobicContact CE-CE1 3.95Å; M177-Y205 HydrophobicContact SD-CE1 4.28Å; M177-P207 HydrophobicContact CE-CB 4.06Å; M177-P207 HydrophobicContact CE-CG 4.36Å; M177-E211 HydrophobicContact CE-CB 3.57Å; M177-Q212 CarbonylContact C-O 3.5Å; M177-Q212 VanDerWaalsContact CA-O 3.29Å; M177-Q212 WeakPolarHBondContact CA-O 3.15Å; M177-I213 HydrophobicContact CE-CG1 3.87Å; M177-I213 HydrophobicContact SD-CB 4.44Å; M177-I213 HydrophobicContact SD-CG1 3.76Å
178E94Very high90Very high43 Ų4353.5 Ų53.520%0.20131%0.305CS..EExtended strand (participates in β ladder)trans-129.7134.7170.4-174.6171162.300110.4T180 E195 R196 Q212 V214E178-T180 PolarHBondContact O-N 2.83Å; E178-E195 WeakPolarHBondContact CA-O 3.39Å; E178-R196 HydrophobicContact CB-CG 3.93Å; E178-R196 HydrophobicContact CG-CG 3.97Å; E178-R196 IonicContact OE2-CZ 3.92Å; E178-R196 VanDerWaalsContact OE2-CZ 3.22Å; E178-R196 IonicContact OE2-NE 2.68Å; E178-R196 PolarHBondContact OE2-NE 2.86Å; E178-R196 IonicContact OE2-NH2 2.74Å; E178-R196 PolarHBondContact OE2-NH2 2.92Å; E178-Q212 PolarHBondContact N-O 2.85Å; E178-Q212 PolarHBondContact O-N 3.47Å; E178-V214 HydrophobicContact CB-CG2 3.4Å; E178-V214 VanDerWaalsContact CB-CG2 3.4Å; E178-V214 HydrophobicContact CG-CG2 4.45Å; E178-V214 WeakPolarHBondContact OE2-CG2 3.39Å
179A93.2Very high89.9Confident0 Ų051.7 Ų51.70%030%0.295CS..EExtended strand (participates in β ladder)trans-80.1116.5177.700000110.1K181 R191 V192 G194 E195 W197 Y210A179-K181 VanDerWaalsContact C-N 3.34Å; A179-R191 HydrophobicContact CB-CB 3.96Å; A179-V192 VanDerWaalsContact CB-O 3.26Å; A179-V192 WeakPolarHBondContact CB-O 3.01Å; A179-G194 PolarHBondContact O-N 3.05Å; A179-E195 PolarHBondContact N-O 3.24Å; A179-W197 HydrophobicContact CB-CH2 4.22Å; A179-W197 HydrophobicContact CB-CZ3 3.76Å; A179-Y210 CarbonylContact C-O 3.58Å; A179-Y210 WeakPolarHBondContact CA-O 3.43Å
180T90.9Very high90.1Very high46 Ų4656.2 Ų56.228%0.28232%0.324SS..SBendtrans-83.8-10.417758.80000113.4E178 Y193 Y210 Q212E178-T180 PolarHBondContact O-N 2.83Å; T180-Y193 WeakPolarHBondContact O-CD2 3.45Å; T180-Y193 WeakPolarHBondContact O-CE2 3.24Å; T180-Y210 PolarHBondContact N-O 2.73Å; T180-Y210 VanDerWaalsContact OG1-C 3.3Å; T180-Y210 WeakPolarHBondContact OG1-CA 3.2Å; T180-Y210 PolarHBondContact OG1-O 3.03Å; T180-Q212 HydrophobicContact CG2-CB 3.75Å
181K89.9Confident90.2Very high114 Ų11452.5 Ų52.550%0.49630%0.302SS..SBendtrans-155.5167.4166.1-71.3-167.1-176.7173.30108.3A179 C183 Y210A179-K181 VanDerWaalsContact C-N 3.34Å; K181-C183 PolarHBondContact O-N 3.43Å; K181-C183 VanDerWaalsContact O-N 3.17Å; K181-Y210 HydrophobicContact CB-CD1 3.91Å; K181-Y210 HydrophobicContact CB-CD2 4.42Å; K181-Y210 HydrophobicContact CB-CE1 4.41Å; K181-Y210 HydrophobicContact CB-CG 3.93Å; K181-Y210 HydrophobicContact CD-CD1 4.03Å; K181-Y210 HydrophobicContact CD-CE1 3.76Å; K181-Y210 HydrophobicContact CG-CD1 4.02Å; K181-Y210 HydrophobicContact CG-CE1 4.28Å
182D90.3Very high90.4Very high113 Ų11351.5 Ų51.560%0.60430%0.296SS*.SBendtrans-57.1120.4169.6-63.5-2.2000109.4R191 V192 Y193D182-R191 WeakPolarHBondContact CA-O 3.06Å; D182-V192 WeakPolarHBondContact OD1-CA 3.4Å; D182-V192 WeakPolarHBondContact OD1-CG1 3.45Å; D182-Y193 PolarHBondContact OD1-N 3.32Å
183C88.7Confident90.5Very high23 Ų2356 Ų5616%0.15531%0.309CS..EExtended strand (participates in β ladder)trans-151167.3-174.367.80000111.1K181 R191 Y210K181-C183 PolarHBondContact O-N 3.43Å; K181-C183 VanDerWaalsContact O-N 3.17Å; C183-R191 PolarHBondContact N-O 2.69Å; C183-R191 PolarHBondContact O-N 3.17Å; C183-Y210 HydrophobicContact CB-CD2 3.85Å; C183-Y210 HydrophobicContact CB-CG 4.31Å
184V89.9Confident90.4Very high99 Ų9956.4 Ų56.460%0.632%0.316SS*.EExtended strand (participates in β ladder)trans-101.8124.1169.4-177.50000107
185D88.6Confident90.4Very high7 Ų759.4 Ų59.44%0.03733%0.33CS..  trans-70.5169.9177.974.816.4000111.8S187 G188 V189 R191 W197 E211D185-S187 VanDerWaalsContact CG-OG 3.22Å; D185-S187 PolarHBondContact O-N 2.83Å; D185-S187 VanDerWaalsContact O-N 3.11Å; D185-S187 VanDerWaalsContact OD1-CA 3.31Å; D185-S187 WeakPolarHBondContact OD1-CA 3.41Å; D185-S187 WeakPolarHBondContact OD1-CB 3.28Å; D185-S187 PolarHBondContact OD1-N 2.91Å; D185-S187 PolarHBondContact OD1-OG 3.39Å; D185-S187 PolarHBondContact OD2-OG 3.36Å; D185-G188 PolarHBondContact O-N 3.44Å; D185-G188 PolarHBondContact OD1-N 3Å; D185-G188 VanDerWaalsContact OD1-N 3.08Å; D185-V189 PolarHBondContact N-O 2.92Å; D185-V189 PolarHBondContact OD1-N 2.76Å; D185-R191 HydrophobicContact CB-CG 4.01Å; D185-R191 IonicContact OD2-CZ 3.39Å; D185-R191 VanDerWaalsContact OD2-CZ 3.25Å; D185-R191 IonicContact OD2-NE 3.21Å; D185-R191 PolarHBondContact OD2-NE 3.1Å; D185-R191 IonicContact OD2-NH2 2.83Å; D185-R191 PolarHBondContact OD2-NH2 3.29Å; D185-W197 HydrophobicContact CB-CZ2 3.8Å; D185-E211 WeakPolarHBondContact CA-OE1 3.47Å
186R84.4Confident90.3Very high107 Ų10765.1 Ų65.140%0.40435%0.351SS..THydrogen-bonded Turntrans-61.6-18.6178.3-76-148.8-178.3-104-8.3115.3E147 G188 Y205 L206 E211E147-R186 VanDerWaalsContact CD-NH2 3.31Å; E147-R186 IonicContact OE1-CZ 3.34Å; E147-R186 VanDerWaalsContact OE1-CZ 3.29Å; E147-R186 IonicContact OE1-NH1 2.88Å; E147-R186 PolarHBondContact OE1-NH1 3.43Å; E147-R186 VanDerWaalsContact OE1-NH1 3.08Å; E147-R186 IonicContact OE1-NH2 2.74Å; E147-R186 PolarHBondContact OE1-NH2 2.86Å; E147-R186 IonicContact OE2-CZ 3.83Å; E147-R186 IonicContact OE2-NH1 3.98Å; E147-R186 PolarHBondContact OE2-NH1 3.5Å; E147-R186 IonicContact OE2-NH2 2.81Å; R186-G188 VanDerWaalsContact C-N 3.26Å; R186-Y205 HydrophobicContact CB-CE2 3.98Å; R186-Y205 HydrophobicContact CG-CE2 4.2Å; R186-L206 PolarHBondContact NE-O 3.07Å; R186-L206 PolarHBondContact NH2-O 3.38Å; R186-E211 PolarHBondContact N-OE1 3.36Å
187S83.2Confident90.2Very high90 Ų9065.7 Ų65.763%0.62935%0.353SS*.THydrogen-bonded Turntrans-84.3-2.5174.768.40000113.1D185 V189D185-S187 VanDerWaalsContact CG-OG 3.22Å; D185-S187 PolarHBondContact O-N 2.83Å; D185-S187 VanDerWaalsContact O-N 3.11Å; D185-S187 VanDerWaalsContact OD1-CA 3.31Å; D185-S187 WeakPolarHBondContact OD1-CA 3.41Å; D185-S187 WeakPolarHBondContact OD1-CB 3.28Å; D185-S187 PolarHBondContact OD1-N 2.91Å; D185-S187 PolarHBondContact OD1-OG 3.39Å; D185-S187 PolarHBondContact OD2-OG 3.36Å; S187-V189 WeakPolarHBondContact OG-CG2 3.17Å
188G85Confident90.2Very high52 Ų5267.6 Ų67.654%0.53636%0.363SS..SBendtrans87.410.3-178.700000113.6D185 R186D185-G188 PolarHBondContact O-N 3.44Å; D185-G188 PolarHBondContact OD1-N 3Å; D185-G188 VanDerWaalsContact OD1-N 3.08Å; R186-G188 VanDerWaalsContact C-N 3.26Å
189V89.5Confident90Very high56 Ų5666.2 Ų66.234%0.33936%0.358SS..  trans-89.5127.4-178.3-179.60000109.4D185 S187 R191D185-V189 PolarHBondContact N-O 2.92Å; D185-V189 PolarHBondContact OD1-N 2.76Å; S187-V189 WeakPolarHBondContact OG-CG2 3.17Å; V189-R191 PolarHBondContact O-N 3.41Å
190P93.9Very high89.7Confident98 Ų9869.7 Ų69.764%0.63638%0.379SS*.EExtended strand (participates in β ladder)trans-68127.6172.728.3-32.9000109.9
191R93Very high89.6Confident41 Ų4172.3 Ų72.316%0.15540%0.395CS..EExtended strand (participates in β ladder)trans-115.1142.3178.9-57.6-62.1-179-177.5-3110A179 D182 C183 D185 V189 E195 W197A179-R191 HydrophobicContact CB-CB 3.96Å; D182-R191 WeakPolarHBondContact CA-O 3.06Å; C183-R191 PolarHBondContact N-O 2.69Å; C183-R191 PolarHBondContact O-N 3.17Å; D185-R191 HydrophobicContact CB-CG 4.01Å; D185-R191 IonicContact OD2-CZ 3.39Å; D185-R191 VanDerWaalsContact OD2-CZ 3.25Å; D185-R191 IonicContact OD2-NE 3.21Å; D185-R191 PolarHBondContact OD2-NE 3.1Å; D185-R191 IonicContact OD2-NH2 2.83Å; D185-R191 PolarHBondContact OD2-NH2 3.29Å; V189-R191 PolarHBondContact O-N 3.41Å; R191-E195 WeakPolarHBondContact CA-OE2 3.32Å; R191-E195 WeakPolarHBondContact CD-OE1 3.36Å; R191-E195 IonicContact CZ-OE1 2.59Å; R191-E195 IonicContact NE-OE1 3.38Å; R191-E195 IonicContact NH1-OE1 3.56Å; R191-E195 PolarHBondContact NH1-OE1 2.84Å; R191-W197 HydrophobicContact CB-CH2 4.48Å; R191-W197 HydrophobicContact CB-CZ3 4.13Å; R191-W197 HydrophobicContact CG-CD2 4.32Å; R191-W197 HydrophobicContact CG-CE3 3.97Å; R191-W197 HydrophobicContact CG-CH2 4Å; R191-W197 HydrophobicContact CG-CZ2 4.33Å; R191-W197 HydrophobicContact CG-CZ3 3.8Å
192V92.6Very high89.6Confident88 Ų8870.6 Ų70.653%0.53340%0.396SS..  trans-99153.6176.5-174.70000110.2A179 D182 G194 E195A179-V192 VanDerWaalsContact CB-O 3.26Å; A179-V192 WeakPolarHBondContact CB-O 3.01Å; D182-V192 WeakPolarHBondContact OD1-CA 3.4Å; D182-V192 WeakPolarHBondContact OD1-CG1 3.45Å; V192-G194 PolarHBondContact O-N 3.29Å; V192-E195 PolarHBondContact N-OE2 2.57Å; V192-E195 WeakPolarHBondContact O-CB 2.93Å; V192-E195 PolarHBondContact O-N 2.91Å
193Y91.9Very high89.6Confident168 Ų16866.8 Ų66.866%0.65938%0.383SS*.THydrogen-bonded Turntrans-45.3127.6173.6-179.3-105.9000113.8T180 D182 E195T180-Y193 WeakPolarHBondContact O-CD2 3.45Å; T180-Y193 WeakPolarHBondContact O-CE2 3.24Å; D182-Y193 PolarHBondContact OD1-N 3.32Å; Y193-E195 PolarHBondContact O-N 2.79Å
194G88.4Confident89.7Confident32 Ų3268 Ų6833%0.3340%0.395SS..THydrogen-bonded Turntrans77.1-1.7-178.700000114.8A179 V192 R196A179-G194 PolarHBondContact O-N 3.05Å; V192-G194 PolarHBondContact O-N 3.29Å; G194-R196 PolarHBondContact O-N 2.89Å
195E91.5Very high89.7Confident64 Ų6464.5 Ų64.530%0.29937%0.371SS..  trans-65.8132.8174.5-172-177.3154.800110.2E178 A179 R191 V192 Y193 W197E178-E195 WeakPolarHBondContact CA-O 3.39Å; A179-E195 PolarHBondContact N-O 3.24Å; R191-E195 WeakPolarHBondContact CA-OE2 3.32Å; R191-E195 WeakPolarHBondContact CD-OE1 3.36Å; R191-E195 IonicContact CZ-OE1 2.59Å; R191-E195 IonicContact NE-OE1 3.38Å; R191-E195 IonicContact NH1-OE1 3.56Å; R191-E195 PolarHBondContact NH1-OE1 2.84Å; V192-E195 PolarHBondContact N-OE2 2.57Å; V192-E195 WeakPolarHBondContact O-CB 2.93Å; V192-E195 PolarHBondContact O-N 2.91Å; Y193-E195 PolarHBondContact O-N 2.79Å; E195-W197 WeakPolarHBondContact O-CZ3 3.23Å
196R91.6Very high89.9Confident123 Ų12364.8 Ų64.846%0.46437%0.372SS..EExtended strand (participates in β ladder)trans-109.7135.4175.3-66.8-176.1178.5168.30.8111.7V176 M177 E178 G194 A264V176-R196 HydrophobicContact CG1-CB 4.38Å; M177-R196 CarbonylContact O-C 3.6Å; M177-R196 WeakPolarHBondContact O-CA 3.47Å; E178-R196 HydrophobicContact CB-CG 3.93Å; E178-R196 HydrophobicContact CG-CG 3.97Å; E178-R196 IonicContact OE2-CZ 3.92Å; E178-R196 VanDerWaalsContact OE2-CZ 3.22Å; E178-R196 IonicContact OE2-NE 2.68Å; E178-R196 PolarHBondContact OE2-NE 2.86Å; E178-R196 IonicContact OE2-NH2 2.74Å; E178-R196 PolarHBondContact OE2-NH2 2.92Å; G194-R196 PolarHBondContact O-N 2.89Å; R196-A264 HydrophobicContact CB-CB 3.83Å
197W91.1Very high90.2Very high15 Ų1560.3 Ų60.36%0.05736%0.358CS..EExtended strand (participates in β ladder)trans-139.9169.3176.270.8100000111.2V176 M177 A179 D185 R191 E195 E211V176-W197 WeakPolarHBondContact CA-O 3.36Å; M177-W197 HydrophobicContact CB-CD2 3.76Å; M177-W197 VanDerWaalsContact CB-CE2 3.4Å; M177-W197 HydrophobicContact CB-CE3 4.11Å; M177-W197 HydrophobicContact CB-CG 4.38Å; M177-W197 HydrophobicContact CB-CH2 3.84Å; M177-W197 HydrophobicContact CB-CZ2 3.46Å; M177-W197 VanDerWaalsContact CB-CZ2 3.46Å; M177-W197 HydrophobicContact CB-CZ3 4.15Å; M177-W197 HydrophobicContact CG-CZ2 4.12Å; M177-W197 PolarHBondContact N-O 2.88Å; M177-W197 PolarHBondContact O-N 3.41Å; A179-W197 HydrophobicContact CB-CH2 4.22Å; A179-W197 HydrophobicContact CB-CZ3 3.76Å; D185-W197 HydrophobicContact CB-CZ2 3.8Å; R191-W197 HydrophobicContact CB-CH2 4.48Å; R191-W197 HydrophobicContact CB-CZ3 4.13Å; R191-W197 HydrophobicContact CG-CD2 4.32Å; R191-W197 HydrophobicContact CG-CE3 3.97Å; R191-W197 HydrophobicContact CG-CH2 4Å; R191-W197 HydrophobicContact CG-CZ2 4.33Å; R191-W197 HydrophobicContact CG-CZ3 3.8Å; E195-W197 WeakPolarHBondContact O-CZ3 3.23Å; W197-E211 HydrophobicContact CH2-CB 4.41Å; W197-E211 HydrophobicContact CH2-CG 4.05Å; W197-E211 HydrophobicContact CZ2-CB 4.44Å; W197-E211 HydrophobicContact CZ2-CG 3.96Å
198L91.6Very high90.5Very high41 Ų4156.9 Ų56.922%0.21534%0.336CS..EExtended strand (participates in β ladder)trans-109.1132.1-177.5-163.876.6000110A174 L175 V176 T200 I261A174-L198 HydrophobicContact CB-CD1 3.6Å; A174-L198 HydrophobicContact CB-CD2 3.86Å; A174-L198 HydrophobicContact CB-CG 3.62Å; L175-L198 WeakPolarHBondContact O-CA 3.45Å; V176-L198 HydrophobicContact CG2-CD1 3.84Å; L198-T200 HydrophobicContact CD2-CG2 3.53Å; L198-T200 HydrophobicContact CG-CG2 3.96Å; L198-I261 HydrophobicContact CD2-CB 4.35Å; L198-I261 HydrophobicContact CD2-CG2 3.77Å
199V91.1Very high90.7Very high13 Ų1355.2 Ų55.28%0.07932%0.315CS..EExtended strand (participates in β ladder)trans-109113.2171.4-179.10000108.5I169 A174 L175 M177 Y205I169-V199 HydrophobicContact CD1-CB 4.18Å; I169-V199 HydrophobicContact CD1-CG1 3.63Å; A174-V199 CarbonylContact C-O 3.54Å; A174-V199 WeakPolarHBondContact CA-O 3.39Å; A174-V199 WeakPolarHBondContact CB-O 3.19Å; L175-V199 PolarHBondContact N-O 2.84Å; L175-V199 PolarHBondContact O-N 3.33Å; M177-V199 HydrophobicContact CG-CG2 3.59Å; V199-Y205 HydrophobicContact CG1-CD2 3.64Å; V199-Y205 HydrophobicContact CG1-CE2 3.69Å; V199-Y205 HydrophobicContact CG1-CG 4.19Å; V199-Y205 HydrophobicContact CG2-CE2 4.21Å
200T87.1Confident90.9Very high73 Ų7354.8 Ų54.845%0.44831%0.308SS..  trans-107.9-6.8-174.357.80000113.7A174 L198 P202 I261A174-T200 HydrophobicContact CB-CG2 3.86Å; L198-T200 HydrophobicContact CD2-CG2 3.53Å; L198-T200 HydrophobicContact CG-CG2 3.96Å; T200-P202 VanDerWaalsContact O-CD 3.23Å; T200-P202 WeakPolarHBondContact O-CD 3.21Å; T200-I261 HydrophobicContact CG2-CD1 4.5Å
201T88.6Confident90.8Very high102 Ų10250.9 Ų50.963%0.62628%0.281SS*.  trans-67.4117.4-176-48.70000109.9
202P89.8Confident90.7Very high77 Ų7753.8 Ų53.850%0.530%0.297SS..  trans-64.5141179.1-20.933.6000111.4I169 V171 T200I169-P202 WeakPolarHBondContact O-CA 3.33Å; V171-P202 HydrophobicContact CG2-CB 4.32Å; V171-P202 HydrophobicContact CG2-CG 4.38Å; T200-P202 VanDerWaalsContact O-CD 3.23Å; T200-P202 WeakPolarHBondContact O-CD 3.21Å
203G90.6Very high90.7Very high34 Ų3452.4 Ų52.435%0.35129%0.286SS..EExtended strand (participates in β ladder)trans130.2-174-179.500000113.5I169 Y205I169-G203 PolarHBondContact N-O 3.31Å; I169-G203 PolarHBondContact O-N 3.01Å; G203-Y205 PolarHBondContact O-N 3.31Å
204A89.8Confident90.6Very high48 Ų4847.1 Ų47.140%0.39727%0.271SS..EExtended strand (participates in β ladder)trans-75.8112.9176.400000109.7N120 A166N120-A204 HydrophobicContact CB-CB 4.29Å; A166-A204 HydrophobicContact CB-CB 3.89Å
205Y91.3Very high90.6Very high26 Ų2649.1 Ų49.110%0.10227%0.274CS..EExtended strand (participates in β ladder)trans-103114.5175.1-171.6-93.1000109.8A166 K167 I169 L175 M177 R186 V199 G203 P207 E211A166-Y205 CarbonylContact C-O 3.5Å; A166-Y205 WeakPolarHBondContact CA-O 3.34Å; K167-Y205 PolarHBondContact N-O 2.81Å; K167-Y205 PolarHBondContact O-N 3.23Å; I169-Y205 HydrophobicContact CD1-CG 4.23Å; L175-Y205 HydrophobicContact CD1-CD1 4.49Å; M177-Y205 HydrophobicContact CE-CE1 3.95Å; M177-Y205 HydrophobicContact SD-CE1 4.28Å; R186-Y205 HydrophobicContact CB-CE2 3.98Å; R186-Y205 HydrophobicContact CG-CE2 4.2Å; V199-Y205 HydrophobicContact CG1-CD2 3.64Å; V199-Y205 HydrophobicContact CG1-CE2 3.69Å; V199-Y205 HydrophobicContact CG1-CG 4.19Å; V199-Y205 HydrophobicContact CG2-CE2 4.21Å; G203-Y205 PolarHBondContact O-N 3.31Å; Y205-P207 HydrophobicContact CD1-CG 4.48Å; Y205-P207 WeakPolarHBondContact O-CD 3.39Å; Y205-E211 VanDerWaalsContact CE1-OE2 3.3Å; Y205-E211 WeakPolarHBondContact CE1-OE2 3.44Å; Y205-E211 VanDerWaalsContact OH-CD 3.28Å; Y205-E211 PolarHBondContact OH-OE1 3.36Å; Y205-E211 PolarHBondContact OH-OE2 2.81Å
206L91.6Very high90.6Very high12 Ų1251.2 Ų51.26%0.06328%0.284CS..  trans-93.4108.3176.5-176.365.5000109.5A122 E147 E164 A166 R186 G208A122-L206 HydrophobicContact CB-CD2 3.76Å; E147-L206 HydrophobicContact CG-CD2 4.23Å; E164-L206 HydrophobicContact CB-CD1 4.21Å; A166-L206 HydrophobicContact CB-CB 3.93Å; A166-L206 HydrophobicContact CB-CD1 4.18Å; R186-L206 PolarHBondContact NE-O 3.07Å; R186-L206 PolarHBondContact NH2-O 3.38Å; L206-G208 PolarHBondContact O-N 2.8Å
207P90.8Very high90.6Very high14 Ų1448.1 Ų48.19%0.09127%0.272CS..  trans-57.3137.2-177.8-24.935.8000111.9L145 M177 Y205 E211 I213L145-P207 WeakPolarHBondContact CD1-O 3.34Å; M177-P207 HydrophobicContact CE-CB 4.06Å; M177-P207 HydrophobicContact CE-CG 4.36Å; Y205-P207 HydrophobicContact CD1-CG 4.48Å; Y205-P207 WeakPolarHBondContact O-CD 3.39Å; P207-E211 HydrophobicContact CB-CB 4.27Å; P207-I213 HydrophobicContact CG-CD1 3.81Å; P207-I213 HydrophobicContact CG-CG1 4.06Å
208G90.4Very high90.6Very high18 Ų1855.8 Ų55.819%0.18631%0.306CS..  trans-62.4166169.500000112.1L206 Y210 E211L206-G208 PolarHBondContact O-N 2.8Å; G208-Y210 PolarHBondContact O-N 2.89Å; G208-Y210 VanDerWaalsContact O-N 3.13Å; G208-E211 PolarHBondContact N-OE2 3.37Å; G208-E211 PolarHBondContact O-N 2.82Å
209V89.5Confident90.5Very high16 Ų1654.9 Ų54.910%0.09730%0.304CS..THydrogen-bonded Turntrans-51.4-41.6-178.6178.90000112.9R124 E143 L145R124-V209 VanDerWaalsContact CZ-O 3.25Å; R124-V209 PolarHBondContact NH1-O 2.92Å; R124-V209 VanDerWaalsContact NH2-CG1 3.32Å; R124-V209 PolarHBondContact NH2-O 2.72Å; E143-V209 HydrophobicContact CB-CG1 3.52Å; L145-V209 HydrophobicContact CD1-CG2 4.5Å; L145-V209 HydrophobicContact CD2-CG2 4.04Å; L145-V209 HydrophobicContact CG-CG2 3.68Å
210Y91.7Very high90.5Very high48 Ų4856.7 Ų56.719%0.18831%0.313CS..THydrogen-bonded Turntrans-102.79.8-176.3-53.8-55.3000113A179 T180 K181 C183 G208A179-Y210 CarbonylContact C-O 3.58Å; A179-Y210 WeakPolarHBondContact CA-O 3.43Å; T180-Y210 PolarHBondContact N-O 2.73Å; T180-Y210 VanDerWaalsContact OG1-C 3.3Å; T180-Y210 WeakPolarHBondContact OG1-CA 3.2Å; T180-Y210 PolarHBondContact OG1-O 3.03Å; K181-Y210 HydrophobicContact CB-CD1 3.91Å; K181-Y210 HydrophobicContact CB-CD2 4.42Å; K181-Y210 HydrophobicContact CB-CE1 4.41Å; K181-Y210 HydrophobicContact CB-CG 3.93Å; K181-Y210 HydrophobicContact CD-CD1 4.03Å; K181-Y210 HydrophobicContact CD-CE1 3.76Å; K181-Y210 HydrophobicContact CG-CD1 4.02Å; K181-Y210 HydrophobicContact CG-CE1 4.28Å; C183-Y210 HydrophobicContact CB-CD2 3.85Å; C183-Y210 HydrophobicContact CB-CG 4.31Å; G208-Y210 PolarHBondContact O-N 2.89Å; G208-Y210 VanDerWaalsContact O-N 3.13Å
211E92.2Very high90.7Very high15 Ų1557.8 Ų57.87%0.0732%0.32CS..EExtended strand (participates in β ladder)trans-98.8124176.3-54.1-177.7168.200110M177 D185 R186 W197 Y205 P207 G208M177-E211 HydrophobicContact CE-CB 3.57Å; D185-E211 WeakPolarHBondContact CA-OE1 3.47Å; R186-E211 PolarHBondContact N-OE1 3.36Å; W197-E211 HydrophobicContact CH2-CB 4.41Å; W197-E211 HydrophobicContact CH2-CG 4.05Å; W197-E211 HydrophobicContact CZ2-CB 4.44Å; W197-E211 HydrophobicContact CZ2-CG 3.96Å; Y205-E211 VanDerWaalsContact CE1-OE2 3.3Å; Y205-E211 WeakPolarHBondContact CE1-OE2 3.44Å; Y205-E211 VanDerWaalsContact OH-CD 3.28Å; Y205-E211 PolarHBondContact OH-OE1 3.36Å; Y205-E211 PolarHBondContact OH-OE2 2.81Å; P207-E211 HydrophobicContact CB-CB 4.27Å; G208-E211 PolarHBondContact N-OE2 3.37Å; G208-E211 PolarHBondContact O-N 2.82Å
212Q92.1Very high90.9Very high102 Ų10253 Ų5348%0.47729%0.291SS..EExtended strand (participates in β ladder)trans-112.7132.1176.6180175-1.100110.5M177 E178 T180 V214M177-Q212 CarbonylContact C-O 3.5Å; M177-Q212 VanDerWaalsContact CA-O 3.29Å; M177-Q212 WeakPolarHBondContact CA-O 3.15Å; E178-Q212 PolarHBondContact N-O 2.85Å; E178-Q212 PolarHBondContact O-N 3.47Å; T180-Q212 HydrophobicContact CG2-CB 3.75Å; Q212-V214 PolarHBondContact O-N 3.26Å
213I91.6Very high91Very high59 Ų5951.6 Ų51.630%0.30328%0.28SS..EExtended strand (participates in β ladder)trans-76.7119.6171.8-56.5168.5000108.1K167 L175 M177 P207K167-I213 HydrophobicContact CB-CD1 3.87Å; K167-I213 HydrophobicContact CG-CD1 4.18Å; L175-I213 HydrophobicContact CD1-CD1 4.18Å; L175-I213 HydrophobicContact CD1-CG1 4.43Å; L175-I213 HydrophobicContact CD2-CG2 4.24Å; M177-I213 HydrophobicContact CE-CG1 3.87Å; M177-I213 HydrophobicContact SD-CB 4.44Å; M177-I213 HydrophobicContact SD-CG1 3.76Å; P207-I213 HydrophobicContact CG-CD1 3.81Å; P207-I213 HydrophobicContact CG-CG1 4.06Å
214V90.3Very high90.9Very high58 Ų5855.2 Ų55.235%0.35229%0.292SS..EExtended strand (participates in β ladder)trans-99.1-43.5179.4178.70000111.7V176 E178 Q212V176-V214 HydrophobicContact CG1-CB 4.5Å; V176-V214 PolarHBondContact O-N 2.9Å; E178-V214 HydrophobicContact CB-CG2 3.4Å; E178-V214 VanDerWaalsContact CB-CG2 3.4Å; E178-V214 HydrophobicContact CG-CG2 4.45Å; E178-V214 WeakPolarHBondContact OE2-CG2 3.39Å; Q212-V214 PolarHBondContact O-N 3.26Å
215D89.3Confident91Very high73 Ų7360.5 Ų60.539%0.3930%0.301SS..EExtended strand (participates in β ladder)trans-152.4156.3-171.2-175.831000111.7V176 R217V176-D215 HydrophobicContact CB-CB 3.94Å; V176-D215 HydrophobicContact CG2-CB 3.95Å; V176-D215 PolarHBondContact N-O 3.06Å; V176-D215 PolarHBondContact O-N 2.86Å; D215-R217 IonicContact OD2-NE 3.23Å; D215-R217 PolarHBondContact OD2-NE 3.33Å
216E91Very high91Very high109 Ų10965.9 Ų65.951%0.50932%0.321SS..EExtended strand (participates in β ladder)trans-116.5117.1175.5-62-172.1-166.900109.5K167 L175K167-E216 WeakPolarHBondContact CE-OE1 3.32Å; K167-E216 IonicContact NZ-OE1 3.07Å; K167-E216 PolarHBondContact NZ-OE1 3.41Å; L175-E216 HydrophobicContact CD2-CG 3.7Å
217R90.5Very high91.1Very high58 Ų5865.3 Ų65.322%0.21932%0.318CS..EExtended strand (participates in β ladder)trans-106.2138.7-178-66.3-172.4178.8-166.92.8111.3S173 A174 V176 D215 I261 C262 S263 E266S173-R217 CarbonylContact C-O 3.52Å; S173-R217 VanDerWaalsContact CA-O 3.23Å; S173-R217 WeakPolarHBondContact CA-O 3.36Å; A174-R217 PolarHBondContact N-O 2.83Å; A174-R217 PolarHBondContact O-N 2.85Å; V176-R217 HydrophobicContact CG2-CG 3.89Å; D215-R217 IonicContact OD2-NE 3.23Å; D215-R217 PolarHBondContact OD2-NE 3.33Å; R217-I261 HydrophobicContact CB-CG2 3.87Å; R217-C262 WeakPolarHBondContact CD-O 3.19Å; R217-C262 PolarHBondContact NH1-O 3.1Å; R217-S263 VanDerWaalsContact NH1-C 3.29Å; R217-S263 PolarHBondContact NH1-O 3.2Å; R217-E266 PolarHBondContact NH1-O 2.62Å
218K91.7Very high91.3Very high176 Ų17664.7 Ų64.777%0.76531%0.314SS*.EExtended strand (participates in β ladder)trans-105.7148.1172.7-66.1-178.7-178.9177.70109.7
219A90.3Very high91.4Very high22 Ų2263.9 Ų63.918%0.18231%0.306CS..PPolyproline II helixtrans-70139.1174.500000110.8N172 Y259 H260 I261N172-A219 HydrophobicContact CB-CB 3.8Å; N172-A219 WeakPolarHBondContact O-CB 3.45Å; N172-A219 PolarHBondContact O-N 3.4Å; A219-Y259 HydrophobicContact CB-CD2 3.62Å; A219-Y259 HydrophobicContact CB-CG 4.09Å; A219-H260 WeakPolarHBondContact CA-O 3.47Å; A219-I261 HydrophobicContact CB-CD1 4.17Å; A219-I261 HydrophobicContact CB-CG1 3.49Å; A219-I261 VanDerWaalsContact CB-CG1 3.49Å
220I90.7Very high91.6Very high51 Ų5163.1 Ų63.126%0.26230%0.301SS..EExtended strand (participates in β ladder)trans-93.5121.1170.4-56167.9000107I228 Y259 H260 F268I220-I228 HydrophobicContact CD1-CD1 4.21Å; I220-I228 HydrophobicContact CD1-CG2 4.42Å; I220-I228 HydrophobicContact CG2-CG2 3.81Å; I220-Y259 CarbonylContact O-C 3.53Å; I220-Y259 WeakPolarHBondContact O-CA 3.31Å; I220-H260 PolarHBondContact N-O 2.96Å; I220-H260 PolarHBondContact O-N 3.42Å; I220-F268 HydrophobicContact CD1-CD2 3.56Å; I220-F268 HydrophobicContact CD1-CE2 3.78Å; I220-F268 HydrophobicContact CD1-CG 4.35Å
221T91.8Very high91.7Very high96 Ų9664 Ų6459%0.58931%0.306SS*.EExtended strand (participates in β ladder)trans-73.2128.2177.4-52.80000110.1T223T221-T223 HydrophobicContact CG2-CG2 4.44Å
222L92.3Very high91.7Very high2 Ų263.3 Ų63.31%0.0130%0.303CS..  trans-104.4137.5178.6-55.5177.8000108.7R226 I228 I252 H254 A257 E258 H260L222-R226 WeakPolarHBondContact CA-O 3.42Å; L222-I228 HydrophobicContact CD2-CB 4.31Å; L222-I228 HydrophobicContact CD2-CD1 4.19Å; L222-I228 HydrophobicContact CD2-CG1 3.86Å; L222-I228 HydrophobicContact CD2-CG2 3.79Å; L222-I252 HydrophobicContact CD1-CB 4.32Å; L222-I252 HydrophobicContact CD1-CG2 3.55Å; L222-H254 HydrophobicContact CB-CB 4.39Å; L222-H254 PolarHBondContact O-ND1 3.4Å; L222-A257 WeakPolarHBondContact CB-O 3.39Å; L222-A257 WeakPolarHBondContact CD1-O 3.49Å; L222-E258 PolarHBondContact N-O 3.28Å; L222-H260 HydrophobicContact CD1-CB 4.14Å
223T91.8Very high91.6Very high46 Ų4662.3 Ų62.328%0.28230%0.303SS..BIsolated β-bridgetrans-132.2172.6177.971.20000109.9T221 R225 R226T221-T223 HydrophobicContact CG2-CG2 4.44Å; T223-R225 PolarHBondContact O-N 3.3Å; T223-R225 PolarHBondContact OG1-N 3.37Å; T223-R226 PolarHBondContact N-O 2.98Å; T223-R226 CarbonylContact O-C 3.56Å; T223-R226 PolarHBondContact O-N 2.74Å; T223-R226 VanDerWaalsContact O-N 3.09Å; T223-R226 PolarHBondContact OG1-N 3.18Å
224D88.8Confident91.4Very high111 Ų11166 Ų6659%0.59432%0.318SS*.THydrogen-bonded Turntrans-52.2-18.4168.164.4-28000113.9F310D224-F310 VanDerWaalsContact O-CZ 3.31Å; D224-F310 WeakPolarHBondContact O-CZ 3.12Å
225R91.3Very high91.4Very high158 Ų15866.1 Ų66.160%0.59632%0.321SS*.THydrogen-bonded Turntrans-110.1-13.9177.9-59-171.5-177.8178.2-1.8115.3T223 V274T223-R225 PolarHBondContact O-N 3.3Å; T223-R225 PolarHBondContact OG1-N 3.37Å; R225-V274 HydrophobicContact CB-CG1 3.84Å; R225-V274 HydrophobicContact CG-CG1 3.87Å; R225-V274 PolarHBondContact O-N 2.94Å; R225-V274 VanDerWaalsContact O-N 3.14Å
226R91.5Very high91.4Very high139 Ų13963.7 Ų63.753%0.52531%0.307SS..EExtended strand (participates in β ladder)trans-128.5112.9-172.9-65.9-178.3178.8-152.52.4110.3L222 T223 E271L222-R226 WeakPolarHBondContact CA-O 3.42Å; T223-R226 PolarHBondContact N-O 2.98Å; T223-R226 CarbonylContact O-C 3.56Å; T223-R226 PolarHBondContact O-N 2.74Å; T223-R226 VanDerWaalsContact O-N 3.09Å; T223-R226 PolarHBondContact OG1-N 3.18Å; R226-E271 VanDerWaalsContact CD-OE1 3.3Å; R226-E271 WeakPolarHBondContact CD-OE1 3.35Å; R226-E271 IonicContact CZ-OE1 3.55Å; R226-E271 IonicContact NE-OE1 3.78Å; R226-E271 IonicContact NH1-OE1 2.68Å
227A93.3Very high91.4Very high0 Ų062.5 Ų62.50%031%0.31CS..EExtended strand (participates in β ladder)trans-117.2165.2170.400000109.5L251 I252 T253 V272 F310A227-L251 HydrophobicContact CB-CD1 3.77Å; A227-L251 HydrophobicContact CB-CD2 4.35Å; A227-L251 HydrophobicContact CB-CG 4.11Å; A227-I252 WeakPolarHBondContact CA-O 3.47Å; A227-I252 WeakPolarHBondContact CB-O 3.34Å; A227-T253 HydrophobicContact CB-CG2 4.1Å; A227-V272 HydrophobicContact CB-CB 4.44Å; A227-V272 PolarHBondContact N-O 3.4Å; A227-V272 PolarHBondContact O-N 2.74Å; A227-F310 HydrophobicContact CB-CB 4.47Å; A227-F310 HydrophobicContact CB-CD1 3.5Å; A227-F310 HydrophobicContact CB-CD2 4.08Å; A227-F310 HydrophobicContact CB-CE1 3.55Å; A227-F310 HydrophobicContact CB-CE2 4.14Å; A227-F310 HydrophobicContact CB-CG 3.77Å; A227-F310 HydrophobicContact CB-CZ 3.87Å
228I94.4Very high91.2Very high1 Ų160.1 Ų60.11%0.00530%0.301CS..EExtended strand (participates in β ladder)trans-125.2145.5176.662175.7000111.2I220 L222 V230 L251 I252 H260 F268I220-I228 HydrophobicContact CD1-CD1 4.21Å; I220-I228 HydrophobicContact CD1-CG2 4.42Å; I220-I228 HydrophobicContact CG2-CG2 3.81Å; L222-I228 HydrophobicContact CD2-CB 4.31Å; L222-I228 HydrophobicContact CD2-CD1 4.19Å; L222-I228 HydrophobicContact CD2-CG1 3.86Å; L222-I228 HydrophobicContact CD2-CG2 3.79Å; I228-V230 HydrophobicContact CD1-CG2 3.86Å; I228-V230 HydrophobicContact CG1-CG2 3.89Å; I228-L251 WeakPolarHBondContact O-CA 3.34Å; I228-I252 HydrophobicContact CD1-CD1 4.44Å; I228-I252 HydrophobicContact CG1-CB 4.03Å; I228-I252 HydrophobicContact CG1-CD1 4.5Å; I228-I252 PolarHBondContact N-O 3.49Å; I228-I252 PolarHBondContact O-N 3.15Å; I228-H260 HydrophobicContact CD1-CB 3.81Å; I228-F268 HydrophobicContact CB-CD2 4.44Å; I228-F268 HydrophobicContact CB-CE2 4.11Å; I228-F268 HydrophobicContact CG2-CE2 3.86Å
229C93.1Very high90.8Very high1 Ų158.7 Ų58.71%0.00730%0.295CS..EExtended strand (participates in β ladder)trans-96.5127.7168.1-1730000109.3W250 V269 R270 V272C229-W250 WeakPolarHBondContact CA-O 3.42Å; C229-V269 HydrophobicContact CB-CB 4.27Å; C229-V269 PolarHBondContact O-N 3.45Å; C229-R270 HydrophobicContact CB-CG 3.89Å; C229-R270 PolarHBondContact N-O 2.66Å; C229-R270 PolarHBondContact O-N 3.08Å; C229-V272 HydrophobicContact CB-CG2 4.22Å
230V93.1Very high90.7Very high0 Ų060.6 Ų60.60%030%0.3CS..EExtended strand (participates in β ladder)trans-125.8146.6-178.2-155.10000109.2I228 E249 W250 I252 E266 E267I228-V230 HydrophobicContact CD1-CG2 3.86Å; I228-V230 HydrophobicContact CG1-CG2 3.89Å; V230-E249 VanDerWaalsContact O-CA 3.3Å; V230-E249 WeakPolarHBondContact O-CA 3.47Å; V230-W250 HydrophobicContact CB-CZ2 4.2Å; V230-W250 HydrophobicContact CG1-CZ2 4.48Å; V230-W250 PolarHBondContact N-O 3.34Å; V230-W250 PolarHBondContact O-N 3.43Å; V230-I252 HydrophobicContact CB-CD1 4.39Å; V230-I252 HydrophobicContact CG2-CD1 3.44Å; V230-I252 VanDerWaalsContact CG2-CD1 3.44Å; V230-I252 HydrophobicContact CG2-CG1 4Å; V230-E266 HydrophobicContact CG1-CB 3.77Å; V230-E266 HydrophobicContact CG1-CG 4.26Å; V230-E267 WeakPolarHBondContact CA-O 3.37Å; V230-E267 VanDerWaalsContact CG1-O 3.23Å; V230-E267 WeakPolarHBondContact CG1-O 3.13Å
231K93.9Very high90.4Very high67 Ų6761.1 Ų61.129%0.29132%0.317SS..EExtended strand (participates in β ladder)trans-119.7136.9-178.8-175176.8179.5177.90111.2V233 E248 E249 E266 E267 V269K231-V233 PolarHBondContact O-N 3.36Å; K231-E248 WeakPolarHBondContact CA-O 3.33Å; K231-E249 HydrophobicContact CB-CG 3.96Å; K231-E249 HydrophobicContact CD-CG 4.2Å; K231-E249 HydrophobicContact CG-CG 3.95Å; K231-E266 CarbonylContact O-C 3.57Å; K231-E266 WeakPolarHBondContact O-CA 3.34Å; K231-E267 HydrophobicContact CB-CB 4.45Å; K231-E267 PolarHBondContact N-O 3.1Å; K231-E267 PolarHBondContact O-N 2.99Å; K231-V269 HydrophobicContact CB-CG2 3.56Å; K231-V269 HydrophobicContact CD-CG2 4.48Å
232A92.2Very high90.2Very high0 Ų061.8 Ų61.80%031%0.312CS..EExtended strand (participates in β ladder)trans-78.8120.9173.300000110.7R244 K245 G247 E248 W250A232-R244 HydrophobicContact CB-CB 3.95Å; A232-K245 WeakPolarHBondContact CB-O 3.48Å; A232-G247 PolarHBondContact O-N 3.27Å; A232-E248 PolarHBondContact N-O 2.84Å; A232-W250 HydrophobicContact CB-CH2 3.99Å; A232-W250 HydrophobicContact CB-CZ3 3.67Å
233V90.2Very high90.1Very high81 Ų8168.7 Ų68.749%0.49134%0.339SS..SBendtrans-73.9-38.8173.6-178.40000110.5K231 L265 E267K231-V233 PolarHBondContact O-N 3.36Å; V233-L265 PolarHBondContact N-O 3.48Å; V233-E267 HydrophobicContact CG2-CB 3.89Å
234K87.7Confident90.2Very high138 Ų13867.8 Ų67.860%0.633%0.33SS*.SBendtrans-133154.7174.3-66.8-177.4-179.9175.90109.7H236 L265K234-H236 PolarHBondContact O-N 3.3Å; K234-H236 PolarHBondContact O-ND1 3.34Å; K234-L265 HydrophobicContact CB-CD2 4.37Å; K234-L265 HydrophobicContact CD-CD2 4.37Å
235S91.4Very high90.3Very high60 Ų6069 Ų6942%0.4233%0.33SS..  trans-64.7125.5177.6-53.40000110.8R244 A246S235-R244 CarbonylContact C-O 3.59Å; S235-R244 WeakPolarHBondContact CA-O 3.13Å; S235-A246 PolarHBondContact OG-N 2.97Å
236H89.7Confident90.3Very high21 Ų2164.3 Ų64.310%0.09733%0.325CS..EExtended strand (participates in β ladder)trans-158.9169.9-17769.7-73.1000111K234 R244 L265 E266K234-H236 PolarHBondContact O-N 3.3Å; K234-H236 PolarHBondContact O-ND1 3.34Å; H236-R244 PolarHBondContact N-O 3.16Å; H236-R244 PolarHBondContact O-N 2.79Å; H236-L265 HydrophobicContact CB-CD1 3.59Å; H236-L265 PolarHBondContact CE1-O 3.13Å; H236-E266 IonicContact NE2-OE1 2.9Å
237C89.8Confident90.2Very high84 Ų8459.6 Ų59.657%0.56832%0.32SS*.EExtended strand (participates in β ladder)trans-88.7125166.6-63.70000109K242C237-K242 WeakPolarHBondContact CA-O 3.5Å
238D87.2Confident90Very high9 Ų962.4 Ų62.45%0.04833%0.333CS..  trans-68.8173.5176.969.616.3000111.8F240 G241 K242 R244 W250D238-F240 PolarHBondContact O-N 3.38Å; D238-F240 VanDerWaalsContact O-N 3.08Å; D238-F240 VanDerWaalsContact OD1-C 3.31Å; D238-F240 WeakPolarHBondContact OD1-CA 3.22Å; D238-F240 WeakPolarHBondContact OD1-CB 3.35Å; D238-F240 PolarHBondContact OD1-N 3.28Å; D238-G241 PolarHBondContact O-N 3.14Å; D238-G241 PolarHBondContact OD1-N 3.44Å; D238-K242 PolarHBondContact N-O 3.13Å; D238-K242 PolarHBondContact OD1-N 3.02Å; D238-R244 HydrophobicContact CB-CG 4.09Å; D238-R244 IonicContact OD2-CZ 2.7Å; D238-R244 IonicContact OD2-NE 3.94Å; D238-R244 PolarHBondContact OD2-NE 2.8Å; D238-R244 IonicContact OD2-NH2 3.45Å; D238-R244 PolarHBondContact OD2-NH2 3.24Å; D238-W250 HydrophobicContact CB-CZ2 4.35Å
239K83.4Confident89.9Confident146 Ų14665.4 Ų65.464%0.63535%0.347SS*.THydrogen-bonded Turntrans-59.2-20.4178.9-171.1177.6177-173.90113.3
240F87.4Confident89.8Confident62 Ų6265.8 Ų65.827%0.27235%0.348SS..THydrogen-bonded Turntrans-96.13.5-178.6-46.5-70.5000112.7D238 I252 D256 A257D238-F240 PolarHBondContact O-N 3.38Å; D238-F240 VanDerWaalsContact O-N 3.08Å; D238-F240 VanDerWaalsContact OD1-C 3.31Å; D238-F240 WeakPolarHBondContact OD1-CA 3.22Å; D238-F240 WeakPolarHBondContact OD1-CB 3.35Å; D238-F240 PolarHBondContact OD1-N 3.28Å; F240-I252 HydrophobicContact CE2-CD1 3.94Å; F240-I252 HydrophobicContact CE2-CG1 4.16Å; F240-I252 HydrophobicContact CE2-CG2 4Å; F240-I252 HydrophobicContact CZ-CG2 3.82Å; F240-D256 HydrophobicContact CD1-CB 4.31Å; F240-D256 HydrophobicContact CE1-CB 3.84Å; F240-D256 WeakPolarHBondContact CE1-O 3.44Å; F240-D256 HydrophobicContact CE2-CB 4.46Å; F240-D256 HydrophobicContact CZ-CB 3.93Å; F240-A257 HydrophobicContact CE1-CB 4.05Å; F240-A257 HydrophobicContact CZ-CB 4.2Å
241G84.3Confident89.8Confident61 Ų6167.3 Ų67.363%0.62936%0.356SS*.SBendtrans83.18.9177.600000114.9D238D238-G241 PolarHBondContact O-N 3.14Å; D238-G241 PolarHBondContact OD1-N 3.44Å
242K87.6Confident89.7Confident110 Ų11064.1 Ų64.148%0.47834%0.343SS..  trans-88.9133.1177-66.2172.2-178.8166.10110C237 D238 R244C237-K242 WeakPolarHBondContact CA-O 3.5Å; D238-K242 PolarHBondContact N-O 3.13Å; D238-K242 PolarHBondContact OD1-N 3.02Å; K242-R244 PolarHBondContact O-N 3Å
243Y91.2Very high89.7Confident147 Ų14765.1 Ų65.158%0.57635%0.349SS*.EExtended strand (participates in β ladder)trans-77.3118.7176.2-175.3-99.9000110.4K245Y243-K245 HydrophobicContact CE1-CG 4.25Å
244R92Very high89.7Confident27 Ų2765.4 Ų65.410%0.10235%0.345CS..EExtended strand (participates in β ladder)trans-107.5133.2-178.8-55-57.2-178.11647.8110.3A232 S235 H236 D238 K242 E248 W250A232-R244 HydrophobicContact CB-CB 3.95Å; S235-R244 CarbonylContact C-O 3.59Å; S235-R244 WeakPolarHBondContact CA-O 3.13Å; H236-R244 PolarHBondContact N-O 3.16Å; H236-R244 PolarHBondContact O-N 2.79Å; D238-R244 HydrophobicContact CB-CG 4.09Å; D238-R244 IonicContact OD2-CZ 2.7Å; D238-R244 IonicContact OD2-NE 3.94Å; D238-R244 PolarHBondContact OD2-NE 2.8Å; D238-R244 IonicContact OD2-NH2 3.45Å; D238-R244 PolarHBondContact OD2-NH2 3.24Å; K242-R244 PolarHBondContact O-N 3Å; R244-E248 WeakPolarHBondContact CA-OE2 3.28Å; R244-E248 VanDerWaalsContact CD-OE1 3.32Å; R244-E248 WeakPolarHBondContact CD-OE1 3.45Å; R244-E248 IonicContact CZ-OE1 2.7Å; R244-E248 IonicContact NH1-OE1 3.95Å; R244-E248 PolarHBondContact NH1-OE1 3.37Å; R244-W250 HydrophobicContact CB-CE3 4.46Å; R244-W250 HydrophobicContact CB-CH2 4.15Å; R244-W250 HydrophobicContact CB-CZ3 3.86Å; R244-W250 HydrophobicContact CG-CD2 4.38Å; R244-W250 HydrophobicContact CG-CE3 4.01Å; R244-W250 HydrophobicContact CG-CH2 3.75Å; R244-W250 HydrophobicContact CG-CZ2 4.12Å; R244-W250 HydrophobicContact CG-CZ3 3.68Å; R244-W250 VanDerWaalsContact CZ-CG 3.45Å; R244-W250 VanDerWaalsContact NH2-CD1 3.34Å
245K92.1Very high89.8Confident137 Ų13767.7 Ų67.760%0.59636%0.357SS*.  trans-85.3150.8174.2-66.2177.9-176.7172.70110.6A232 Y243 G247 E248A232-K245 WeakPolarHBondContact CB-O 3.48Å; Y243-K245 HydrophobicContact CE1-CG 4.25Å; K245-G247 PolarHBondContact O-N 3.21Å; K245-E248 HydrophobicContact CB-CB 4.45Å; K245-E248 PolarHBondContact N-OE2 3.21Å; K245-E248 WeakPolarHBondContact O-CB 3.47Å; K245-E248 PolarHBondContact O-N 2.9Å
246A91.2Very high89.7Confident60 Ų6068 Ų6850%0.49635%0.354SS..THydrogen-bonded Turntrans-53.8128.5172.800000111.3S235 E248S235-A246 PolarHBondContact OG-N 2.97Å; A246-E248 VanDerWaalsContact C-N 3.32Å
247G88.4Confident89.6Confident40 Ų4068 Ų6841%0.41236%0.358SS..THydrogen-bonded Turntrans85.5-9.9-176.700000115.4A232 K245A232-G247 PolarHBondContact O-N 3.27Å; K245-G247 PolarHBondContact O-N 3.21Å
248E90.9Very high89.6Confident59 Ų5970.4 Ų70.428%0.27636%0.361SS..  trans-65.8132.1176.9-172.1-175.4144.200110.4K231 A232 R244 K245 A246 W250K231-E248 WeakPolarHBondContact CA-O 3.33Å; A232-E248 PolarHBondContact N-O 2.84Å; R244-E248 WeakPolarHBondContact CA-OE2 3.28Å; R244-E248 VanDerWaalsContact CD-OE1 3.32Å; R244-E248 WeakPolarHBondContact CD-OE1 3.45Å; R244-E248 IonicContact CZ-OE1 2.7Å; R244-E248 IonicContact NH1-OE1 3.95Å; R244-E248 PolarHBondContact NH1-OE1 3.37Å; K245-E248 HydrophobicContact CB-CB 4.45Å; K245-E248 PolarHBondContact N-OE2 3.21Å; K245-E248 WeakPolarHBondContact O-CB 3.47Å; K245-E248 PolarHBondContact O-N 2.9Å; A246-E248 VanDerWaalsContact C-N 3.32Å; E248-W250 WeakPolarHBondContact O-CZ3 3.44Å
249E91.5Very high89.7Confident64 Ų6474 Ų7430%0.29938%0.375SS..EExtended strand (participates in β ladder)trans-106.8136.1174.3-67.7-177.7-168.600109.7V230 K231 V269 P313V230-E249 VanDerWaalsContact O-CA 3.3Å; V230-E249 WeakPolarHBondContact O-CA 3.47Å; K231-E249 HydrophobicContact CB-CG 3.96Å; K231-E249 HydrophobicContact CD-CG 4.2Å; K231-E249 HydrophobicContact CG-CG 3.95Å; E249-V269 HydrophobicContact CG-CG2 4.39Å; E249-P313 HydrophobicContact CB-CB 3.86Å; E249-P313 HydrophobicContact CB-CG 4.06Å
250W90.9Very high90.1Very high8 Ų867.2 Ų67.23%0.0335%0.345CS..EExtended strand (participates in β ladder)trans-140.2160.5174.167.494.3000111.4C229 V230 A232 D238 R244 E248 E266C229-W250 WeakPolarHBondContact CA-O 3.42Å; V230-W250 HydrophobicContact CB-CZ2 4.2Å; V230-W250 HydrophobicContact CG1-CZ2 4.48Å; V230-W250 PolarHBondContact N-O 3.34Å; V230-W250 PolarHBondContact O-N 3.43Å; A232-W250 HydrophobicContact CB-CH2 3.99Å; A232-W250 HydrophobicContact CB-CZ3 3.67Å; D238-W250 HydrophobicContact CB-CZ2 4.35Å; R244-W250 HydrophobicContact CB-CE3 4.46Å; R244-W250 HydrophobicContact CB-CH2 4.15Å; R244-W250 HydrophobicContact CB-CZ3 3.86Å; R244-W250 HydrophobicContact CG-CD2 4.38Å; R244-W250 HydrophobicContact CG-CE3 4.01Å; R244-W250 HydrophobicContact CG-CH2 3.75Å; R244-W250 HydrophobicContact CG-CZ2 4.12Å; R244-W250 HydrophobicContact CG-CZ3 3.68Å; R244-W250 VanDerWaalsContact CZ-CG 3.45Å; R244-W250 VanDerWaalsContact NH2-CD1 3.34Å; E248-W250 WeakPolarHBondContact O-CZ3 3.44Å; W250-E266 HydrophobicContact CH2-CG 4.23Å; W250-E266 HydrophobicContact CZ2-CG 4.27Å
251L92.9Very high90.3Very high32 Ų3265.2 Ų65.217%0.16834%0.337CS..EExtended strand (participates in β ladder)trans-92.1139.5175.7-170.177.1000110.1A227 I228 T253 V272 F310A227-L251 HydrophobicContact CB-CD1 3.77Å; A227-L251 HydrophobicContact CB-CD2 4.35Å; A227-L251 HydrophobicContact CB-CG 4.11Å; I228-L251 WeakPolarHBondContact O-CA 3.34Å; L251-T253 HydrophobicContact CD2-CG2 3.64Å; L251-T253 HydrophobicContact CG-CG2 4.08Å; L251-V272 HydrophobicContact CD1-CB 3.85Å; L251-V272 HydrophobicContact CD1-CG1 4.19Å; L251-V272 HydrophobicContact CD1-CG2 3.72Å; L251-F310 HydrophobicContact CD2-CB 3.39Å; L251-F310 HydrophobicContact CD2-CG 4.17Å
252I92.5Very high90.6Very high1 Ų162.9 Ų62.91%0.00531%0.311CS..EExtended strand (participates in β ladder)trans-117.5123.6168.3-53.4176.1000107.8L222 A227 I228 V230 F240 D256 H260L222-I252 HydrophobicContact CD1-CB 4.32Å; L222-I252 HydrophobicContact CD1-CG2 3.55Å; A227-I252 WeakPolarHBondContact CA-O 3.47Å; A227-I252 WeakPolarHBondContact CB-O 3.34Å; I228-I252 HydrophobicContact CD1-CD1 4.44Å; I228-I252 HydrophobicContact CG1-CB 4.03Å; I228-I252 HydrophobicContact CG1-CD1 4.5Å; I228-I252 PolarHBondContact N-O 3.49Å; I228-I252 PolarHBondContact O-N 3.15Å; V230-I252 HydrophobicContact CB-CD1 4.39Å; V230-I252 HydrophobicContact CG2-CD1 3.44Å; V230-I252 VanDerWaalsContact CG2-CD1 3.44Å; V230-I252 HydrophobicContact CG2-CG1 4Å; F240-I252 HydrophobicContact CE2-CD1 3.94Å; F240-I252 HydrophobicContact CE2-CG1 4.16Å; F240-I252 HydrophobicContact CE2-CG2 4Å; F240-I252 HydrophobicContact CZ-CG2 3.82Å; I252-D256 HydrophobicContact CG2-CB 3.94Å; I252-H260 VanDerWaalsContact CD1-CD2 3.5Å; I252-H260 WeakPolarHBondContact CD1-CD2 3.43Å
253T92.1Very high90.5Very high21 Ų2159.3 Ų59.313%0.12930%0.3CS..  trans-109.8173.6179.770.40000111.2A227 L251 E255 D256 A257 F310A227-T253 HydrophobicContact CB-CG2 4.1Å; L251-T253 HydrophobicContact CD2-CG2 3.64Å; L251-T253 HydrophobicContact CG-CG2 4.08Å; T253-E255 PolarHBondContact O-N 2.7Å; T253-E255 PolarHBondContact OG1-N 3.23Å; T253-D256 PolarHBondContact N-OD2 3.09Å; T253-D256 VanDerWaalsContact N-OD2 3.11Å; T253-D256 PolarHBondContact O-N 3.18Å; T253-A257 PolarHBondContact O-N 3.07Å; T253-F310 HydrophobicContact CG2-CD2 3.78Å; T253-F310 HydrophobicContact CG2-CE2 4.18Å; T253-F310 HydrophobicContact CG2-CG 4.5Å
254H90.5Very high90.3Very high87 Ų8753.2 Ų53.240%0.40328%0.28SS..THydrogen-bonded Turntrans-60.6-22.4173.7-175.173.7000113.6L222 D256 A257L222-H254 HydrophobicContact CB-CB 4.39Å; L222-H254 PolarHBondContact O-ND1 3.4Å; H254-D256 VanDerWaalsContact C-N 3.3Å; H254-A257 WeakPolarHBondContact CA-O 3.35Å
255E88.9Confident90.1Very high186 Ų18654.6 Ų54.687%0.86929%0.289SS*.THydrogen-bonded Turntrans-70.6-28.6175.1-60.6-178.4166.400112.1T253T253-E255 PolarHBondContact O-N 2.7Å; T253-E255 PolarHBondContact OG1-N 3.23Å
256D89.4Confident90.1Very high65 Ų6548.2 Ų48.235%0.34826%0.261SS..THydrogen-bonded Turntrans-81-44.4176-60.6-58.4000111.1F240 I252 T253 H254F240-D256 HydrophobicContact CD1-CB 4.31Å; F240-D256 HydrophobicContact CE1-CB 3.84Å; F240-D256 WeakPolarHBondContact CE1-O 3.44Å; F240-D256 HydrophobicContact CE2-CB 4.46Å; F240-D256 HydrophobicContact CZ-CB 3.93Å; I252-D256 HydrophobicContact CG2-CB 3.94Å; T253-D256 PolarHBondContact N-OD2 3.09Å; T253-D256 VanDerWaalsContact N-OD2 3.11Å; T253-D256 PolarHBondContact O-N 3.18Å; H254-D256 VanDerWaalsContact C-N 3.3Å
257A88.1Confident90.1Very high21 Ų2150.4 Ų50.417%0.17426%0.261CS..  trans-159.8150.5177.600000113.1L222 F240 T253 H254 Y259L222-A257 WeakPolarHBondContact CB-O 3.39Å; L222-A257 WeakPolarHBondContact CD1-O 3.49Å; F240-A257 HydrophobicContact CE1-CB 4.05Å; F240-A257 HydrophobicContact CZ-CB 4.2Å; T253-A257 PolarHBondContact O-N 3.07Å; H254-A257 WeakPolarHBondContact CA-O 3.35Å; A257-Y259 VanDerWaalsContact C-N 3.28Å; A257-Y259 WeakPolarHBondContact CB-O 3.4Å; A257-Y259 PolarHBondContact O-N 3.5Å
258E88.8Confident90.2Very high136 Ų13652.9 Ų52.964%0.63626%0.261SS*.SBendtrans-67.7-29.3172.8-62.8-179174.400113L222L222-E258 PolarHBondContact N-O 3.28Å
259Y89.8Confident90.2Very high85 Ų8552.7 Ų52.733%0.33326%0.264SS..EExtended strand (participates in β ladder)trans-150.5149.7176.462.3-93.4000110.4A219 I220 A257A219-Y259 HydrophobicContact CB-CD2 3.62Å; A219-Y259 HydrophobicContact CB-CG 4.09Å; I220-Y259 CarbonylContact O-C 3.53Å; I220-Y259 WeakPolarHBondContact O-CA 3.31Å; A257-Y259 VanDerWaalsContact C-N 3.28Å; A257-Y259 WeakPolarHBondContact CB-O 3.4Å; A257-Y259 PolarHBondContact O-N 3.5Å
260H91.7Very high90.2Very high2 Ų255.1 Ų55.11%0.00927%0.27CS..EExtended strand (participates in β ladder)trans-125.4130.2176.8-16863000111.4A219 I220 L222 I228 I252 E266A219-H260 WeakPolarHBondContact CA-O 3.47Å; I220-H260 PolarHBondContact N-O 2.96Å; I220-H260 PolarHBondContact O-N 3.42Å; L222-H260 HydrophobicContact CD1-CB 4.14Å; I228-H260 HydrophobicContact CD1-CB 3.81Å; I252-H260 VanDerWaalsContact CD1-CD2 3.5Å; I252-H260 WeakPolarHBondContact CD1-CD2 3.43Å; H260-E266 IonicContact CD2-OE2 3.08Å; H260-E266 IonicContact CE1-OE2 3.05Å; H260-E266 PolarHBondContact CE1-OE2 2.97Å; H260-E266 IonicContact NE2-OE1 3.36Å; H260-E266 IonicContact NE2-OE2 3.29Å; H260-E266 PolarHBondContact NE2-OE2 2.58Å
261I91.3Very high90.2Very high20 Ų2059.2 Ų59.210%0.10329%0.289CS..  trans-106116.8169.2-55.9171.4000105.9A174 L198 T200 R217 A219 S263A174-I261 HydrophobicContact CB-CD1 4.28Å; A174-I261 HydrophobicContact CB-CG2 4.01Å; L198-I261 HydrophobicContact CD2-CB 4.35Å; L198-I261 HydrophobicContact CD2-CG2 3.77Å; T200-I261 HydrophobicContact CG2-CD1 4.5Å; R217-I261 HydrophobicContact CB-CG2 3.87Å; A219-I261 HydrophobicContact CB-CD1 4.17Å; A219-I261 HydrophobicContact CB-CG1 3.49Å; A219-I261 VanDerWaalsContact CB-CG1 3.49Å; I261-S263 PolarHBondContact O-N 3.49Å
262C90.7Very high90.2Very high12 Ų1258.3 Ų58.38%0.08129%0.285CS..  trans-58.7126.5179.3-660000109.6R217 E266R217-C262 WeakPolarHBondContact CD-O 3.19Å; R217-C262 PolarHBondContact NH1-O 3.1Å; C262-E266 WeakPolarHBondContact CA-OE2 3.29Å; C262-E266 HydrophobicContact CB-CB 4.29Å
263S87Confident90.1Very high36 Ų3665.8 Ų65.825%0.25232%0.32SS..  trans-66.7161.7173.71780000111.9R217 I261 L265 E266R217-S263 VanDerWaalsContact NH1-C 3.29Å; R217-S263 PolarHBondContact NH1-O 3.2Å; I261-S263 PolarHBondContact O-N 3.49Å; S263-L265 PolarHBondContact O-N 2.83Å; S263-E266 PolarHBondContact N-OE2 3.03Å; S263-E266 PolarHBondContact O-N 2.83Å
264A85.2Confident90.2Very high19 Ų1966 Ų6616%0.15732%0.322CS..THydrogen-bonded Turntrans-57.3-20.6174.500000113.8V176 R196V176-A264 HydrophobicContact CG1-CB 4.21Å; R196-A264 HydrophobicContact CB-CB 3.83Å
265L88.7Confident90.3Very high55 Ų5562.7 Ų62.729%0.28831%0.307SS..THydrogen-bonded Turntrans-97.72.4177.1-52.8179.2000113.4V233 K234 H236 S263V233-L265 PolarHBondContact N-O 3.48Å; K234-L265 HydrophobicContact CB-CD2 4.37Å; K234-L265 HydrophobicContact CD-CD2 4.37Å; H236-L265 HydrophobicContact CB-CD1 3.59Å; H236-L265 PolarHBondContact CE1-O 3.13Å; S263-L265 PolarHBondContact O-N 2.83Å
266E91.8Very high90.4Very high4 Ų458.5 Ų58.52%0.01929%0.29CS..EExtended strand (participates in β ladder)trans-115.9141.8-179.4-67.4172.2179.600110.5R217 V230 K231 H236 W250 H260 C262 S263R217-E266 PolarHBondContact NH1-O 2.62Å; V230-E266 HydrophobicContact CG1-CB 3.77Å; V230-E266 HydrophobicContact CG1-CG 4.26Å; K231-E266 CarbonylContact O-C 3.57Å; K231-E266 WeakPolarHBondContact O-CA 3.34Å; H236-E266 IonicContact NE2-OE1 2.9Å; W250-E266 HydrophobicContact CH2-CG 4.23Å; W250-E266 HydrophobicContact CZ2-CG 4.27Å; H260-E266 IonicContact CD2-OE2 3.08Å; H260-E266 IonicContact CE1-OE2 3.05Å; H260-E266 PolarHBondContact CE1-OE2 2.97Å; H260-E266 IonicContact NE2-OE1 3.36Å; H260-E266 IonicContact NE2-OE2 3.29Å; H260-E266 PolarHBondContact NE2-OE2 2.58Å; C262-E266 WeakPolarHBondContact CA-OE2 3.29Å; C262-E266 HydrophobicContact CB-CB 4.29Å; S263-E266 PolarHBondContact N-OE2 3.03Å; S263-E266 PolarHBondContact O-N 2.83Å
267E90.7Very high90.6Very high105 Ų10555.5 Ų55.549%0.49127%0.274SS..EExtended strand (participates in β ladder)trans-119.8130.2174.9-179178.6-164.300109.4V230 K231 V233 V269V230-E267 WeakPolarHBondContact CA-O 3.37Å; V230-E267 VanDerWaalsContact CG1-O 3.23Å; V230-E267 WeakPolarHBondContact CG1-O 3.13Å; K231-E267 HydrophobicContact CB-CB 4.45Å; K231-E267 PolarHBondContact N-O 3.1Å; K231-E267 PolarHBondContact O-N 2.99Å; V233-E267 HydrophobicContact CG2-CB 3.89Å; E267-V269 PolarHBondContact O-N 2.69Å
268F90.7Very high90.7Very high92 Ų9255.8 Ų55.840%0.40428%0.279SS..EExtended strand (participates in β ladder)trans-72.4124.5173172.2-96.5000109.8I220 I228 R270 E271I220-F268 HydrophobicContact CD1-CD2 3.56Å; I220-F268 HydrophobicContact CD1-CE2 3.78Å; I220-F268 HydrophobicContact CD1-CG 4.35Å; I228-F268 HydrophobicContact CB-CD2 4.44Å; I228-F268 HydrophobicContact CB-CE2 4.11Å; I228-F268 HydrophobicContact CG2-CE2 3.86Å; F268-R270 VanDerWaalsContact CZ-C 3.5Å; F268-E271 HydrophobicContact CZ-CB 4.49Å
269V91.1Very high90.7Very high56 Ų5653.5 Ų53.534%0.33927%0.274SS..EExtended strand (participates in β ladder)trans-95.5-59.5179.2-177.60000110.8C229 K231 E249 E267C229-V269 HydrophobicContact CB-CB 4.27Å; C229-V269 PolarHBondContact O-N 3.45Å; K231-V269 HydrophobicContact CB-CG2 3.56Å; K231-V269 HydrophobicContact CD-CG2 4.48Å; E249-V269 HydrophobicContact CG-CG2 4.39Å; E267-V269 PolarHBondContact O-N 2.69Å
270R91.8Very high90.7Very high115 Ų11553.7 Ų53.743%0.43428%0.278SS..EExtended strand (participates in β ladder)trans-162.9158.8-176.963.7-176.9-177-171.44.4112.5C229 F268 V272C229-R270 HydrophobicContact CB-CG 3.89Å; C229-R270 PolarHBondContact N-O 2.66Å; C229-R270 PolarHBondContact O-N 3.08Å; F268-R270 VanDerWaalsContact CZ-C 3.5Å; R270-V272 HydrophobicContact CG-CG2 4.4Å
271E91.7Very high90.7Very high93 Ų9356.2 Ų56.244%0.43529%0.289SS..EExtended strand (participates in β ladder)trans-81141.7166.1-165.3169.9-177.300109.5R226 F268R226-E271 VanDerWaalsContact CD-OE1 3.3Å; R226-E271 WeakPolarHBondContact CD-OE1 3.35Å; R226-E271 IonicContact CZ-OE1 3.55Å; R226-E271 IonicContact NE-OE1 3.78Å; R226-E271 IonicContact NH1-OE1 2.68Å; F268-E271 HydrophobicContact CZ-CB 4.49Å
272V91.1Very high90.8Very high14 Ų1455.4 Ų55.49%0.08529%0.285CS..EExtended strand (participates in β ladder)trans-121.3115.4179.8-176.20000108A227 C229 L251 R270 F310A227-V272 HydrophobicContact CB-CB 4.44Å; A227-V272 PolarHBondContact N-O 3.4Å; A227-V272 PolarHBondContact O-N 2.74Å; C229-V272 HydrophobicContact CB-CG2 4.22Å; L251-V272 HydrophobicContact CD1-CB 3.85Å; L251-V272 HydrophobicContact CD1-CG1 4.19Å; L251-V272 HydrophobicContact CD1-CG2 3.72Å; R270-V272 HydrophobicContact CG-CG2 4.4Å; V272-F310 HydrophobicContact CG1-CB 4.23Å; V272-F310 HydrophobicContact CG1-CD1 4.18Å; V272-F310 WeakPolarHBondContact O-CD1 3.39Å; V272-F310 WeakPolarHBondContact O-CE1 3.4Å
273E92.4Very high91Very high158 Ų15854.8 Ų54.874%0.73828%0.281SS*.EExtended strand (participates in β ladder)trans-78.7148.3174.5-63.2-175167.700110.8
274V93.2Very high91.3Very high26 Ų2653.7 Ų53.716%0.15827%0.273CS..EExtended strand (participates in β ladder)trans-67.6133.4176.666.80000110.8R225 I276 F310R225-V274 HydrophobicContact CB-CG1 3.84Å; R225-V274 HydrophobicContact CG-CG1 3.87Å; R225-V274 PolarHBondContact O-N 2.94Å; R225-V274 VanDerWaalsContact O-N 3.14Å; V274-I276 HydrophobicContact CG1-CD1 3.92Å; V274-I276 HydrophobicContact CG1-CG1 3.82Å; V274-I276 HydrophobicContact CG2-CG1 4.26Å; V274-F310 HydrophobicContact CB-CD1 4.05Å; V274-F310 HydrophobicContact CB-CE1 3.61Å; V274-F310 HydrophobicContact CB-CZ 3.88Å; V274-F310 HydrophobicContact CG2-CE1 4.37Å; V274-F310 HydrophobicContact CG2-CZ 4.33Å
275T92Very high91.7Very high17 Ų1753 Ų5310%0.10427%0.266CS..EExtended strand (participates in β ladder)trans-87.2118.4167.8-56.80000108.2S308 F309 L317 V321T275-S308 WeakPolarHBondContact O-CA 3.3Å; T275-F309 WeakPolarHBondContact CA-O 3.49Å; T275-F309 WeakPolarHBondContact CB-O 3.23Å; T275-F309 HydrophobicContact CG2-CE1 4.27Å; T275-F309 HydrophobicContact CG2-CZ 4.11Å; T275-F309 PolarHBondContact N-O 2.9Å; T275-F309 PolarHBondContact O-N 3.18Å; T275-L317 HydrophobicContact CG2-CD1 4.04Å; T275-V321 HydrophobicContact CG2-CG2 3.97Å
276I92.2Very high91.8Very high97 Ų9751.9 Ų51.950%0.49726%0.262SS..EExtended strand (participates in β ladder)trans-109.1127-179.3-54.6174.7000108.4V274V274-I276 HydrophobicContact CG1-CD1 3.92Å; V274-I276 HydrophobicContact CG1-CG1 3.82Å; V274-I276 HydrophobicContact CG2-CG1 4.26Å
277L92.2Very high91.9Very high2 Ų253.5 Ų53.51%0.0127%0.271CS..EExtended strand (participates in β ladder)trans-109.6129171.4-63.1175.9000108.7Q281 C283 V303 G305 E306 K307 F309 V321L277-Q281 HydrophobicContact CB-CB 4.41Å; L277-Q281 HydrophobicContact CD2-CB 4.24Å; L277-C283 HydrophobicContact CD2-CB 4.12Å; L277-V303 HydrophobicContact CD1-CB 4.02Å; L277-V303 HydrophobicContact CD1-CG1 3.61Å; L277-G305 WeakPolarHBondContact CB-O 3.26Å; L277-E306 VanDerWaalsContact O-CA 3.3Å; L277-E306 WeakPolarHBondContact O-CA 3.21Å; L277-K307 PolarHBondContact N-O 3.35Å; L277-K307 PolarHBondContact O-N 2.93Å; L277-K307 VanDerWaalsContact O-N 3.14Å; L277-F309 HydrophobicContact CD1-CE1 3.99Å; L277-F309 HydrophobicContact CG-CE1 4.41Å; L277-V321 HydrophobicContact CD2-CB 4.2Å; L277-V321 HydrophobicContact CD2-CG1 3.54Å; L277-V321 HydrophobicContact CD2-CG2 3.77Å
278G91.2Very high91.9Very high27 Ų2749.1 Ų49.128%0.27825%0.252SS..  trans-76.4179166.900000113.4H280 Q281 G305 E306G278-H280 VanDerWaalsContact C-N 3.3Å; G278-H280 PolarHBondContact O-N 3.44Å; G278-Q281 PolarHBondContact O-N 3.22Å; G278-G305 CarbonylContact O-C 3.56Å; G278-E306 PolarHBondContact O-N 3.06Å
279V88.6Confident91.8Very high89 Ų8947.4 Ų47.454%0.53924%0.242SC..THydrogen-bonded Turntrans-55.5-43.3-178.9-179.80000112.3E306V279-E306 HydrophobicContact CG2-CB 4.32Å
280H89Confident91.6Very high88 Ų8847 Ų4741%0.40724%0.238SC..THydrogen-bonded Turntrans-102.731-178.4-58.4-63.6000112.4G278 D323 A324 E376G278-H280 VanDerWaalsContact C-N 3.3Å; G278-H280 PolarHBondContact O-N 3.44Å; H280-D323 CarbonylContact O-C 3.58Å; H280-D323 WeakPolarHBondContact O-CA 3.47Å; H280-A324 HydrophobicContact CB-CB 4.36Å; H280-A324 WeakPolarHBondContact O-CB 3.39Å; H280-A324 PolarHBondContact O-N 2.7Å; H280-E376 IonicContact CE1-OE1 3.14Å; H280-E376 IonicContact CE1-OE2 2.69Å; H280-E376 PolarHBondContact CE1-OE2 2.69Å; H280-E376 VanDerWaalsContact CE1-OE2 3.28Å; H280-E376 IonicContact CG-OE1 3.18Å; H280-E376 IonicContact ND1-OE1 2.77Å; H280-E376 PolarHBondContact ND1-OE1 2.63Å; H280-E376 IonicContact ND1-OE2 3.07Å; H280-E376 PolarHBondContact ND1-OE2 3.03Å
281Q92.8Very high91.1Very high55 Ų5551.1 Ų51.126%0.25726%0.263SS..EExtended strand (participates in β ladder)trans-122.9152.6-179.4-75.6179.9-22.200111.7L277 G278 G305 V321 Q322 D323L277-Q281 HydrophobicContact CB-CB 4.41Å; L277-Q281 HydrophobicContact CD2-CB 4.24Å; G278-Q281 PolarHBondContact O-N 3.22Å; Q281-G305 PolarHBondContact O-N 2.92Å; Q281-V321 HydrophobicContact CB-CG1 3.98Å; Q281-V321 HydrophobicContact CG-CG1 4.15Å; Q281-Q322 CarbonylContact C-O 3.5Å; Q281-Q322 VanDerWaalsContact CA-O 3.32Å; Q281-Q322 WeakPolarHBondContact CA-O 3.44Å; Q281-D323 WeakPolarHBondContact CG-OD1 3.42Å; Q281-D323 PolarHBondContact NE2-OD1 2.72Å
282F93.8Very high90.7Very high3 Ų353.5 Ų53.51%0.01328%0.278CS..EExtended strand (participates in β ladder)trans-145161175.475.2-82.1000110.7L302 V303 R304 Q322 D323 I378 P379F282-L302 HydrophobicContact CB-CD1 4.18Å; F282-L302 HydrophobicContact CD2-CD1 3.5Å; F282-L302 HydrophobicContact CE2-CD1 4.3Å; F282-L302 HydrophobicContact CG-CD1 4.22Å; F282-V303 CarbonylContact C-O 3.59Å; F282-V303 WeakPolarHBondContact CA-O 3.14Å; F282-V303 WeakPolarHBondContact CB-O 3.46Å; F282-R304 HydrophobicContact CB-CB 3.94Å; F282-Q322 HydrophobicContact CD1-CB 4.23Å; F282-Q322 WeakPolarHBondContact CD1-O 3.17Å; F282-Q322 HydrophobicContact CE1-CB 3.74Å; F282-Q322 HydrophobicContact CE2-CB 4.32Å; F282-Q322 HydrophobicContact CZ-CB 3.79Å; F282-Q322 PolarHBondContact N-O 2.8Å; F282-Q322 PolarHBondContact O-N 3.43Å; F282-Q322 VanDerWaalsContact O-O 3.13Å; F282-D323 WeakPolarHBondContact CE1-O 3.44Å; F282-I378 HydrophobicContact CB-CD1 4.36Å; F282-I378 HydrophobicContact CB-CG2 3.82Å; F282-I378 HydrophobicContact CD1-CG1 4.19Å; F282-I378 HydrophobicContact CD1-CG2 3.84Å; F282-I378 HydrophobicContact CD2-CG2 3.91Å; F282-I378 HydrophobicContact CE1-CG2 4.37Å; F282-I378 HydrophobicContact CE2-CG2 4.42Å; F282-I378 HydrophobicContact CG-CG2 3.58Å; F282-P379 HydrophobicContact CE2-CG 4.13Å; F282-P379 HydrophobicContact CZ-CG 3.79Å
283C93.6Very high90Very high0 Ų054.2 Ų54.20%029%0.288CS..EExtended strand (participates in β ladder)trans-145.5159.9168.468.30000109.9L277 V303 L317 G320 V321L277-C283 HydrophobicContact CD2-CB 4.12Å; C283-V303 PolarHBondContact N-O 3.16Å; C283-V303 PolarHBondContact O-N 3.21Å; C283-L317 HydrophobicContact CB-CD2 4.04Å; C283-G320 WeakPolarHBondContact CB-O 3.29Å; C283-V321 HydrophobicContact CB-CG2 4.48Å
284V92.8Very high89.7Confident13 Ų1350.4 Ų50.48%0.07928%0.276CS..EExtended strand (participates in β ladder)trans-112.6113.6175.9-178.90000107.9K300 L301 L302 E318V284-K300 HydrophobicContact CG1-CB 3.77Å; V284-K300 HydrophobicContact CG1-CD 4.2Å; V284-K300 HydrophobicContact CG1-CG 4.19Å; V284-L301 WeakPolarHBondContact CA-O 3.5Å; V284-L302 HydrophobicContact CG2-CD1 4.06Å; V284-E318 HydrophobicContact CB-CB 4.35Å; V284-E318 PolarHBondContact O-N 3.45Å
285V93.5Very high89.3Confident3 Ų351.6 Ų51.62%0.01828%0.284CS..EExtended strand (participates in β ladder)trans-85.8124.1176.9-177.10000108.7P288 K300 L301 V303 F309 L311 E315 L317V285-P288 HydrophobicContact CG1-CB 4.49Å; V285-K300 CarbonylContact O-C 3.54Å; V285-K300 WeakPolarHBondContact O-CA 3.42Å; V285-L301 HydrophobicContact CB-CB 4.43Å; V285-L301 PolarHBondContact N-O 2.94Å; V285-L301 PolarHBondContact O-N 3.45Å; V285-V303 HydrophobicContact CG2-CG2 4.05Å; V285-F309 HydrophobicContact CG2-CE2 4.02Å; V285-F309 HydrophobicContact CG2-CZ 4.05Å; V285-L311 HydrophobicContact CG1-CD2 4.36Å; V285-L311 HydrophobicContact CG2-CD2 4.49Å; V285-E315 HydrophobicContact CG1-CB 3.95Å; V285-E315 HydrophobicContact CG1-CG 4.03Å; V285-L317 HydrophobicContact CG2-CD2 4Å
286V92.7Very high89.2Confident32 Ų3253.1 Ų53.119%0.19429%0.29CS..EExtended strand (participates in β ladder)trans-93.9138.8175.9-1740000108.9E315 C316 E318V286-E315 WeakPolarHBondContact O-CA 3.45Å; V286-C316 PolarHBondContact N-O 3.34Å; V286-C316 PolarHBondContact O-N 2.86Å; V286-E318 HydrophobicContact CG2-CB 3.72Å; V286-E318 HydrophobicContact CG2-CG 4.31Å
287N92.6Very high89Confident39 Ų3955.3 Ų55.321%0.20930%0.302CS..SBendtrans60.546.8-176.1-49.1-37.7000114.5Q296 L297 G298 R299 E315N287-Q296 WeakPolarHBondContact CA-O 3.29Å; N287-L297 HydrophobicContact CB-CD2 4.24Å; N287-L297 WeakPolarHBondContact OD1-CA 3.35Å; N287-G298 PolarHBondContact OD1-N 3.27Å; N287-R299 PolarHBondContact N-O 3.12Å; N287-E315 WeakPolarHBondContact O-CG 3.35Å
288P91.5Very high88.7Confident13 Ų1358.1 Ų58.18%0.08433%0.332CS..  trans-62.2147.9-17731-37.6000111.2V285 Q296 R299 L301 E315V285-P288 HydrophobicContact CG1-CB 4.49Å; P288-Q296 HydrophobicContact CG-CB 4.5Å; P288-Q296 VanDerWaalsContact O-CB 3.23Å; P288-Q296 WeakPolarHBondContact O-CB 3.48Å; P288-Q296 WeakPolarHBondContact O-CG 3.18Å; P288-Q296 PolarHBondContact O-N 2.88Å; P288-R299 WeakPolarHBondContact CD-O 3.14Å; P288-R299 HydrophobicContact CG-CB 4.25Å; P288-L301 HydrophobicContact CB-CB 3.81Å; P288-L301 HydrophobicContact CB-CD2 4.04Å; P288-L301 HydrophobicContact CG-CB 3.85Å; P288-E315 WeakPolarHBondContact CA-OE1 3.49Å
289W89.1Confident88.6Confident56 Ų5664.7 Ų64.721%0.21235%0.348CS..BIsolated β-bridgetrans-76.8142.4172.6-73.345.9000111.2G293 P295 R312 P313 E315W289-G293 WeakPolarHBondContact CZ3-O 3.39Å; W289-P295 HydrophobicContact CD2-CG 4.34Å; W289-P295 HydrophobicContact CZ2-CG 3.96Å; W289-R312 HydrophobicContact CD2-CB 4.17Å; W289-R312 HydrophobicContact CG-CB 4.09Å; W289-R312 HydrophobicContact CG-CG 4.48Å; W289-P313 HydrophobicContact CZ2-CB 4.35Å; W289-P313 PolarHBondContact NE1-O 2.84Å; W289-E315 PolarHBondContact N-OE1 3.02Å
290D85.4Confident88.7Confident46 Ų4664.3 Ų64.325%0.24634%0.339CS..  trans-79.6178.3170.772.45.5000112.6N292 G293 V294 Q296D290-N292 PolarHBondContact O-N 2.84Å; D290-N292 WeakPolarHBondContact OD1-CA 3.34Å; D290-N292 WeakPolarHBondContact OD1-CB 3.27Å; D290-N292 PolarHBondContact OD1-N 2.85Å; D290-G293 PolarHBondContact O-N 3.01Å; D290-G293 VanDerWaalsContact O-N 3.11Å; D290-G293 PolarHBondContact OD1-N 2.89Å; D290-V294 PolarHBondContact N-O 2.86Å; D290-V294 PolarHBondContact OD1-N 2.84Å; D290-Q296 HydrophobicContact CB-CG 4.1Å; D290-Q296 PolarHBondContact OD2-NE2 2.9Å; D290-Q296 VanDerWaalsContact OD2-NE2 3.12Å
291E82.3Confident88.8Confident203 Ų20364.3 Ų64.395%0.94934%0.342SS*.THydrogen-bonded Turntrans-62.9-23.7177.1-64.3178.7-179.900113G293E291-G293 VanDerWaalsContact C-N 3.31Å
292N82.4Confident88.7Confident143 Ų14363.9 Ų63.977%0.76534%0.341SS*.THydrogen-bonded Turntrans-86.9-2.5177.9-59-52.6000112.9D290D290-N292 PolarHBondContact O-N 2.84Å; D290-N292 WeakPolarHBondContact OD1-CA 3.34Å; D290-N292 WeakPolarHBondContact OD1-CB 3.27Å; D290-N292 PolarHBondContact OD1-N 2.85Å
293G77.6Confident88.7Confident29 Ų2964.6 Ų64.630%0.29935%0.345SS..SBendtrans80.929.1-179.200000114.4W289 D290 E291W289-G293 WeakPolarHBondContact CZ3-O 3.39Å; D290-G293 PolarHBondContact O-N 3.01Å; D290-G293 VanDerWaalsContact O-N 3.11Å; D290-G293 PolarHBondContact OD1-N 2.89Å; E291-G293 VanDerWaalsContact C-N 3.31Å
294V84.8Confident88.4Confident78 Ų7872 Ų7247%0.47337%0.373SS..  trans-109.8126178.2-1770000110.4D290 Q296D290-V294 PolarHBondContact N-O 2.86Å; D290-V294 PolarHBondContact OD1-N 2.84Å; V294-Q296 PolarHBondContact O-N 2.83Å; V294-Q296 PolarHBondContact O-NE2 2.8Å
295P86.1Confident88Confident50 Ų5072.2 Ų72.233%0.32538%0.379SS..BIsolated β-bridgetrans-62125.4175.8-17.726.8000112.5W289 L297W289-P295 HydrophobicContact CD2-CG 4.34Å; W289-P295 HydrophobicContact CZ2-CG 3.96Å; P295-L297 PolarHBondContact O-N 2.92Å
296Q90.2Very high87.9Confident50 Ų5079.8 Ų79.823%0.23441%0.414CS..  trans-91.781.9179.3-58.4-62.2-52.700110.9N287 P288 D290 V294 G298 R299N287-Q296 WeakPolarHBondContact CA-O 3.29Å; P288-Q296 HydrophobicContact CG-CB 4.5Å; P288-Q296 VanDerWaalsContact O-CB 3.23Å; P288-Q296 WeakPolarHBondContact O-CB 3.48Å; P288-Q296 WeakPolarHBondContact O-CG 3.18Å; P288-Q296 PolarHBondContact O-N 2.88Å; D290-Q296 HydrophobicContact CB-CG 4.1Å; D290-Q296 PolarHBondContact OD2-NE2 2.9Å; D290-Q296 VanDerWaalsContact OD2-NE2 3.12Å; V294-Q296 PolarHBondContact O-N 2.83Å; V294-Q296 PolarHBondContact O-NE2 2.8Å; Q296-G298 PolarHBondContact O-N 3.35Å; Q296-R299 HydrophobicContact CB-CB 3.96Å; Q296-R299 HydrophobicContact CB-CG 4.07Å; Q296-R299 WeakPolarHBondContact O-CB 3.42Å; Q296-R299 PolarHBondContact O-N 3.44Å; Q296-R299 VanDerWaalsContact O-N 3.09Å
297L88Confident87.8Confident142 Ų14284 Ų8474%0.74343%0.43SS*.THydrogen-bonded Turntrans-56.4130.8-175.9-59.8179.5000112.5N287 P295 R299N287-L297 HydrophobicContact CB-CD2 4.24Å; N287-L297 WeakPolarHBondContact OD1-CA 3.35Å; P295-L297 PolarHBondContact O-N 2.92Å; L297-R299 PolarHBondContact O-N 2.83Å
298G84.5Confident87.6Confident62 Ų6286.4 Ų86.464%0.63945%0.449SS*.THydrogen-bonded Turntrans80-13.3-179.500000114.9N287 Q296N287-G298 PolarHBondContact OD1-N 3.27Å; Q296-G298 PolarHBondContact O-N 3.35Å
299R89.8Confident87.7Confident165 Ų16588 Ų8862%0.62346%0.455SS*.  trans-74.6153172.8-69.1-160.2174.7-179.1-1111N287 P288 Q296 L297N287-R299 PolarHBondContact N-O 3.12Å; P288-R299 WeakPolarHBondContact CD-O 3.14Å; P288-R299 HydrophobicContact CG-CB 4.25Å; Q296-R299 HydrophobicContact CB-CB 3.96Å; Q296-R299 HydrophobicContact CB-CG 4.07Å; Q296-R299 WeakPolarHBondContact O-CB 3.42Å; Q296-R299 PolarHBondContact O-N 3.44Å; Q296-R299 VanDerWaalsContact O-N 3.09Å; L297-R299 PolarHBondContact O-N 2.83Å
300K90.3Very high87.9Confident81 Ų8186.8 Ų86.835%0.35245%0.451SS..EExtended strand (participates in β ladder)trans-123.6132178.2-67.3-179.2177.9-164.30109.1V284 V285 E318 V381V284-K300 HydrophobicContact CG1-CB 3.77Å; V284-K300 HydrophobicContact CG1-CD 4.2Å; V284-K300 HydrophobicContact CG1-CG 4.19Å; V285-K300 CarbonylContact O-C 3.54Å; V285-K300 WeakPolarHBondContact O-CA 3.42Å; K300-E318 WeakPolarHBondContact CE-OE2 3.48Å; K300-E318 IonicContact NZ-OE1 2.81Å; K300-E318 PolarHBondContact NZ-OE1 3.28Å; K300-E318 IonicContact NZ-OE2 2.62Å; K300-E318 PolarHBondContact NZ-OE2 3.35Å; K300-V381 HydrophobicContact CB-CG1 3.63Å; K300-V381 HydrophobicContact CB-CG2 4.33Å; K300-V381 HydrophobicContact CD-CG1 3.71Å; K300-V381 HydrophobicContact CG-CG1 4.31Å
301L91Very high88.2Confident88 Ų8886.1 Ų86.146%0.46145%0.447SS..EExtended strand (participates in β ladder)trans-116119.217717766.8000109.2V284 V285 P288 V303V284-L301 WeakPolarHBondContact CA-O 3.5Å; V285-L301 HydrophobicContact CB-CB 4.43Å; V285-L301 PolarHBondContact N-O 2.94Å; V285-L301 PolarHBondContact O-N 3.45Å; P288-L301 HydrophobicContact CB-CB 3.81Å; P288-L301 HydrophobicContact CB-CD2 4.04Å; P288-L301 HydrophobicContact CG-CB 3.85Å; L301-V303 HydrophobicContact CD2-CG2 4.25Å; L301-V303 HydrophobicContact CG-CG2 4.17Å
302L91.8Very high88.6Confident46 Ų4681.7 Ų81.724%0.24142%0.422CS..EExtended strand (participates in β ladder)trans-79.9119.7172.317664.5000109.7F282 V284 I378 V381F282-L302 HydrophobicContact CB-CD1 4.18Å; F282-L302 HydrophobicContact CD2-CD1 3.5Å; F282-L302 HydrophobicContact CE2-CD1 4.3Å; F282-L302 HydrophobicContact CG-CD1 4.22Å; V284-L302 HydrophobicContact CG2-CD1 4.06Å; L302-I378 HydrophobicContact CD1-CG2 4.08Å; L302-I378 HydrophobicContact CD2-CG2 4.13Å; L302-V381 HydrophobicContact CB-CG2 3.97Å
303V91.9Very high88.9Confident18 Ų1875.4 Ų75.411%0.10939%0.389CS..EExtended strand (participates in β ladder)trans-112.1128.4172.7-170.80000108L277 F282 C283 V285 L301 K307 F309L277-V303 HydrophobicContact CD1-CB 4.02Å; L277-V303 HydrophobicContact CD1-CG1 3.61Å; F282-V303 CarbonylContact C-O 3.59Å; F282-V303 WeakPolarHBondContact CA-O 3.14Å; F282-V303 WeakPolarHBondContact CB-O 3.46Å; C283-V303 PolarHBondContact N-O 3.16Å; C283-V303 PolarHBondContact O-N 3.21Å; V285-V303 HydrophobicContact CG2-CG2 4.05Å; L301-V303 HydrophobicContact CD2-CG2 4.25Å; L301-V303 HydrophobicContact CG-CG2 4.17Å; V303-K307 HydrophobicContact CG1-CD 3.86Å; V303-F309 HydrophobicContact CB-CE1 4.33Å; V303-F309 HydrophobicContact CB-CZ 4.42Å; V303-F309 HydrophobicContact CG1-CD1 4.45Å; V303-F309 HydrophobicContact CG1-CE1 3.82Å; V303-F309 HydrophobicContact CG1-CZ 4.36Å; V303-F309 HydrophobicContact CG2-CZ 4.31Å
304R88.8Confident89.3Confident154 Ų15476.2 Ų76.258%0.58140%0.397SS*.EExtended strand (participates in β ladder)trans-138155.7-176.464178.6-176.8-178.81.6112.3F282 I378F282-R304 HydrophobicContact CB-CB 3.94Å; R304-I378 HydrophobicContact CB-CD1 3.82Å
305G84.7Confident89.7Confident19 Ų1973.3 Ų73.320%0.19638%0.379CS..SBendtrans80.6180177.100000113.1L277 G278 Q281 K307L277-G305 WeakPolarHBondContact CB-O 3.26Å; G278-G305 CarbonylContact O-C 3.56Å; Q281-G305 PolarHBondContact O-N 2.92Å; G305-K307 PolarHBondContact O-N 3.05Å
306E90.3Very high89.9Confident162 Ų16274.5 Ų74.576%0.75739%0.387SS*.SBendtrans-61.5100.6-176.3-170.6177.5-174.400111.5L277 G278 V279L277-E306 VanDerWaalsContact O-CA 3.3Å; L277-E306 WeakPolarHBondContact O-CA 3.21Å; G278-E306 PolarHBondContact O-N 3.06Å; V279-E306 HydrophobicContact CG2-CB 4.32Å
307K90.1Very high90Very high121 Ų12174.3 Ų74.353%0.52639%0.388SS..EExtended strand (participates in β ladder)trans-149.3140.1-178.3-70.8-170177.4-174.20110.6L277 V303 G305L277-K307 PolarHBondContact N-O 3.35Å; L277-K307 PolarHBondContact O-N 2.93Å; L277-K307 VanDerWaalsContact O-N 3.14Å; V303-K307 HydrophobicContact CG1-CD 3.86Å; G305-K307 PolarHBondContact O-N 3.05Å
308S89.9Confident90Very high89 Ų8971.6 Ų71.662%0.62237%0.371SS*.EExtended strand (participates in β ladder)trans-117.6131.4167.951.80000109.2T275T275-S308 WeakPolarHBondContact O-CA 3.3Å
309F92.2Very high90.2Very high46 Ų4676 Ų7620%0.20237%0.368CS..EExtended strand (participates in β ladder)trans-155.2157.5177.264.7-82.7000110.9T275 L277 V285 V303 L311T275-F309 WeakPolarHBondContact CA-O 3.49Å; T275-F309 WeakPolarHBondContact CB-O 3.23Å; T275-F309 HydrophobicContact CG2-CE1 4.27Å; T275-F309 HydrophobicContact CG2-CZ 4.11Å; T275-F309 PolarHBondContact N-O 2.9Å; T275-F309 PolarHBondContact O-N 3.18Å; L277-F309 HydrophobicContact CD1-CE1 3.99Å; L277-F309 HydrophobicContact CG-CE1 4.41Å; V285-F309 HydrophobicContact CG2-CE2 4.02Å; V285-F309 HydrophobicContact CG2-CZ 4.05Å; V303-F309 HydrophobicContact CB-CE1 4.33Å; V303-F309 HydrophobicContact CB-CZ 4.42Å; V303-F309 HydrophobicContact CG1-CD1 4.45Å; V303-F309 HydrophobicContact CG1-CE1 3.82Å; V303-F309 HydrophobicContact CG1-CZ 4.36Å; V303-F309 HydrophobicContact CG2-CZ 4.31Å; F309-L311 HydrophobicContact CE2-CD2 4.04Å
310F93.2Very high90.3Very high31 Ų3169.4 Ų69.414%0.13635%0.352CS..EExtended strand (participates in β ladder)trans-98142.6174.1-65.3-81.4000110.2D224 A227 L251 T253 V272 V274 R312D224-F310 VanDerWaalsContact O-CZ 3.31Å; D224-F310 WeakPolarHBondContact O-CZ 3.12Å; A227-F310 HydrophobicContact CB-CB 4.47Å; A227-F310 HydrophobicContact CB-CD1 3.5Å; A227-F310 HydrophobicContact CB-CD2 4.08Å; A227-F310 HydrophobicContact CB-CE1 3.55Å; A227-F310 HydrophobicContact CB-CE2 4.14Å; A227-F310 HydrophobicContact CB-CG 3.77Å; A227-F310 HydrophobicContact CB-CZ 3.87Å; L251-F310 HydrophobicContact CD2-CB 3.39Å; L251-F310 HydrophobicContact CD2-CG 4.17Å; T253-F310 HydrophobicContact CG2-CD2 3.78Å; T253-F310 HydrophobicContact CG2-CE2 4.18Å; T253-F310 HydrophobicContact CG2-CG 4.5Å; V272-F310 HydrophobicContact CG1-CB 4.23Å; V272-F310 HydrophobicContact CG1-CD1 4.18Å; V272-F310 WeakPolarHBondContact O-CD1 3.39Å; V272-F310 WeakPolarHBondContact O-CE1 3.4Å; V274-F310 HydrophobicContact CB-CD1 4.05Å; V274-F310 HydrophobicContact CB-CE1 3.61Å; V274-F310 HydrophobicContact CB-CZ 3.88Å; V274-F310 HydrophobicContact CG2-CE1 4.37Å; V274-F310 HydrophobicContact CG2-CZ 4.33Å; F310-R312 PolarHBondContact O-N 2.88Å
311L92.3Very high90.4Very high31 Ų3168.2 Ų68.216%0.16235%0.352CS..PPolyproline II helixtrans-71.4127.1173.3-66.4172.2000109.9V285 F309 E315 L317V285-L311 HydrophobicContact CG1-CD2 4.36Å; V285-L311 HydrophobicContact CG2-CD2 4.49Å; F309-L311 HydrophobicContact CE2-CD2 4.04Å; L311-E315 HydrophobicContact CB-CB 4.29Å; L311-E315 HydrophobicContact CD2-CB 4.13Å; L311-L317 HydrophobicContact CD1-CG 4.18Å; L311-L317 HydrophobicContact CD2-CD2 3.96Å; L311-L317 HydrophobicContact CD2-CG 4.36Å
312R90.3Very high90.4Very high110 Ų11066.2 Ų66.242%0.41534%0.34SS..PPolyproline II helixtrans-72.5163.3174.5-66.4-178.1172.1-175.80.5110.8W289 F310 G314 E315W289-R312 HydrophobicContact CD2-CB 4.17Å; W289-R312 HydrophobicContact CG-CB 4.09Å; W289-R312 HydrophobicContact CG-CG 4.48Å; F310-R312 PolarHBondContact O-N 2.88Å; R312-G314 PolarHBondContact O-N 2.87Å; R312-E315 HydrophobicContact CB-CG 4.13Å; R312-E315 PolarHBondContact N-OE2 3.17Å; R312-E315 WeakPolarHBondContact O-CB 3.45Å; R312-E315 PolarHBondContact O-N 3.36Å
313P88.3Confident90.4Very high11 Ų1169.1 Ų69.17%0.07136%0.356CS..THydrogen-bonded Turntrans-55.6129.6176.6-25.236.1000111.5E249 W289 E315E249-P313 HydrophobicContact CB-CB 3.86Å; E249-P313 HydrophobicContact CB-CG 4.06Å; W289-P313 HydrophobicContact CZ2-CB 4.35Å; W289-P313 PolarHBondContact NE1-O 2.84Å; P313-E315 VanDerWaalsContact C-N 3.32Å; P313-E315 PolarHBondContact O-N 2.81Å
314G86.6Confident90.2Very high46 Ų4668.8 Ų68.847%0.47435%0.354SS..THydrogen-bonded Turntrans84.8-12.7-17600000116.1R312R312-G314 PolarHBondContact O-N 2.87Å
315E92.5Very high90.3Very high18 Ų1864.4 Ų64.48%0.08434%0.338CS..  trans-77.1143.4173.9-67.6-179.2167.800111.1V285 V286 N287 P288 W289 L311 R312 P313V285-E315 HydrophobicContact CG1-CB 3.95Å; V285-E315 HydrophobicContact CG1-CG 4.03Å; V286-E315 WeakPolarHBondContact O-CA 3.45Å; N287-E315 WeakPolarHBondContact O-CG 3.35Å; P288-E315 WeakPolarHBondContact CA-OE1 3.49Å; W289-E315 PolarHBondContact N-OE1 3.02Å; L311-E315 HydrophobicContact CB-CB 4.29Å; L311-E315 HydrophobicContact CD2-CB 4.13Å; R312-E315 HydrophobicContact CB-CG 4.13Å; R312-E315 PolarHBondContact N-OE2 3.17Å; R312-E315 WeakPolarHBondContact O-CB 3.45Å; R312-E315 PolarHBondContact O-N 3.36Å; P313-E315 VanDerWaalsContact C-N 3.32Å; P313-E315 PolarHBondContact O-N 2.81Å
316C91Very high90.5Very high75 Ų7568.2 Ų68.251%0.50735%0.353SS..EExtended strand (participates in β ladder)trans-143.3150.4176.1-700000110V286V286-C316 PolarHBondContact N-O 3.34Å; V286-C316 PolarHBondContact O-N 2.86Å
317L92.1Very high90.5Very high45 Ų4560.7 Ų60.724%0.23632%0.318CS..EExtended strand (participates in β ladder)trans-84129.1172.2-58.7179.1000109.8T275 C283 V285 L311 R319 V321T275-L317 HydrophobicContact CG2-CD1 4.04Å; C283-L317 HydrophobicContact CB-CD2 4.04Å; V285-L317 HydrophobicContact CG2-CD2 4Å; L311-L317 HydrophobicContact CD1-CG 4.18Å; L311-L317 HydrophobicContact CD2-CD2 3.96Å; L311-L317 HydrophobicContact CD2-CG 4.36Å; L317-R319 PolarHBondContact O-N 2.96Å; L317-V321 HydrophobicContact CD1-CG2 4.48Å
318E89.3Confident90.5Very high86 Ų8660.7 Ų60.740%0.40232%0.32SS..EExtended strand (participates in β ladder)trans-63.4-44.3-177.1-170.9175.2-163.600112.5V284 V286 K300V284-E318 HydrophobicContact CB-CB 4.35Å; V284-E318 PolarHBondContact O-N 3.45Å; V286-E318 HydrophobicContact CG2-CB 3.72Å; V286-E318 HydrophobicContact CG2-CG 4.31Å; K300-E318 WeakPolarHBondContact CE-OE2 3.48Å; K300-E318 IonicContact NZ-OE1 2.81Å; K300-E318 PolarHBondContact NZ-OE1 3.28Å; K300-E318 IonicContact NZ-OE2 2.62Å; K300-E318 PolarHBondContact NZ-OE2 3.35Å
319R88.4Confident90.3Very high153 Ų15362.5 Ų62.558%0.57732%0.323SS*.EExtended strand (participates in β ladder)trans-137.226.3-179-64.2-177-177.6-176.2-1.4112.3L317L317-R319 PolarHBondContact O-N 2.96Å
320G91Very high90.2Very high27 Ų2763.7 Ų63.728%0.27833%0.331SS..EExtended strand (participates in β ladder)trans66.6-162.3-173.400000113.5C283C283-G320 WeakPolarHBondContact CB-O 3.29Å
321V92Very high90.1Very high57 Ų5763.3 Ų63.335%0.34533%0.33SS..EExtended strand (participates in β ladder)trans-79.1129.5172.3177.90000109T275 L277 Q281 C283 L317T275-V321 HydrophobicContact CG2-CG2 3.97Å; L277-V321 HydrophobicContact CD2-CB 4.2Å; L277-V321 HydrophobicContact CD2-CG1 3.54Å; L277-V321 HydrophobicContact CD2-CG2 3.77Å; Q281-V321 HydrophobicContact CB-CG1 3.98Å; Q281-V321 HydrophobicContact CG-CG1 4.15Å; C283-V321 HydrophobicContact CB-CG2 4.48Å; L317-V321 HydrophobicContact CD1-CG2 4.48Å
322Q91.2Very high90.1Very high45 Ų4561.8 Ų61.821%0.2132%0.322CS..EExtended strand (participates in β ladder)trans-122147.1-179.1-73.2167.584.400110Q281 F282Q281-Q322 CarbonylContact C-O 3.5Å; Q281-Q322 VanDerWaalsContact CA-O 3.32Å; Q281-Q322 WeakPolarHBondContact CA-O 3.44Å; F282-Q322 HydrophobicContact CD1-CB 4.23Å; F282-Q322 WeakPolarHBondContact CD1-O 3.17Å; F282-Q322 HydrophobicContact CE1-CB 3.74Å; F282-Q322 HydrophobicContact CE2-CB 4.32Å; F282-Q322 HydrophobicContact CZ-CB 3.79Å; F282-Q322 PolarHBondContact N-O 2.8Å; F282-Q322 PolarHBondContact O-N 3.43Å; F282-Q322 VanDerWaalsContact O-O 3.13Å
323D91.7Very high90.2Very high108 Ų10856.6 Ų56.658%0.57830%0.303SS*.EExtended strand (participates in β ladder)trans-79.9143.3172.6-59.4-43.5000110.4H280 Q281 F282H280-D323 CarbonylContact O-C 3.58Å; H280-D323 WeakPolarHBondContact O-CA 3.47Å; Q281-D323 WeakPolarHBondContact CG-OD1 3.42Å; Q281-D323 PolarHBondContact NE2-OD1 2.72Å; F282-D323 WeakPolarHBondContact CE1-O 3.44Å
324A88.9Confident90.4Very high10 Ų1056.4 Ų56.48%0.08330%0.301CS..  trans-61.5147172.200000110.2H280 I326 E376 I378H280-A324 HydrophobicContact CB-CB 4.36Å; H280-A324 WeakPolarHBondContact O-CB 3.39Å; H280-A324 PolarHBondContact O-N 2.7Å; A324-I326 PolarHBondContact O-N 3.26Å; A324-I326 VanDerWaalsContact O-N 3.17Å; A324-E376 HydrophobicContact CB-CG 3.83Å; A324-E376 WeakPolarHBondContact CB-OE1 3.41Å; A324-I378 HydrophobicContact CB-CD1 4.09Å; A324-I378 HydrophobicContact CB-CG1 3.6Å
325Y89.6Confident90.6Very high62 Ų6254.2 Ų54.224%0.24328%0.278CS..EExtended strand (participates in β ladder)trans-80.7102.5179.1-65.1-92.6000109.7L327 L333 E376 Y377 P379 V385Y325-L327 PolarHBondContact O-N 3.18Å; Y325-L333 HydrophobicContact CD1-CD1 3.81Å; Y325-L333 HydrophobicContact CD1-CD2 4.09Å; Y325-L333 HydrophobicContact CD2-CD1 4.26Å; Y325-L333 HydrophobicContact CE1-CD2 4.48Å; Y325-L333 HydrophobicContact CG-CD1 3.65Å; Y325-E376 WeakPolarHBondContact O-CA 3.43Å; Y325-Y377 WeakPolarHBondContact CB-O 3.47Å; Y325-Y377 PolarHBondContact N-O 2.93Å; Y325-Y377 PolarHBondContact O-N 3.47Å; Y325-P379 HydrophobicContact CE2-CG 4.05Å; Y325-V385 HydrophobicContact CD2-CG2 4.44Å; Y325-V385 HydrophobicContact CE1-CG1 4.19Å; Y325-V385 HydrophobicContact CE2-CG2 3.81Å
326I89.7Confident90.6Very high99 Ų9957.3 Ų57.351%0.50829%0.289SS..EExtended strand (participates in β ladder)trans-86.4108.1172.1-56172.1000107.6A324A324-I326 PolarHBondContact O-N 3.26Å; A324-I326 VanDerWaalsContact O-N 3.17Å
327L89.9Confident90.6Very high4 Ų453.8 Ų53.82%0.02127%0.265CS..EExtended strand (participates in β ladder)trans-98.9133.2178.4-56.8175.9000110Y325 E331 L333 L371 P374 I375Y325-L327 PolarHBondContact O-N 3.18Å; L327-E331 HydrophobicContact CB-CB 4.38Å; L327-E331 HydrophobicContact CD2-CB 4.24Å; L327-L333 HydrophobicContact CD1-CB 4.38Å; L327-L333 HydrophobicContact CD1-CD1 4.02Å; L327-L333 HydrophobicContact CD1-CG 3.82Å; L327-L333 HydrophobicContact CD2-CD1 4.14Å; L327-L333 HydrophobicContact CD2-CD2 4.14Å; L327-L333 HydrophobicContact CD2-CG 3.7Å; L327-L333 HydrophobicContact CG-CD1 4.43Å; L327-L333 HydrophobicContact CG-CG 4.3Å; L327-L371 HydrophobicContact CD1-CD2 4.07Å; L327-L371 HydrophobicContact CD1-CG 4.2Å; L327-P374 CarbonylContact O-C 3.55Å; L327-P374 WeakPolarHBondContact O-CA 2.98Å; L327-I375 HydrophobicContact CB-CG2 4.48Å; L327-I375 HydrophobicContact CD1-CG2 4.12Å; L327-I375 PolarHBondContact N-O 2.71Å; L327-I375 PolarHBondContact O-N 2.85Å; L327-I375 VanDerWaalsContact O-N 3.09Å
328Q90.2Very high90.5Very high121 Ų12156 Ų5657%0.56527%0.273SS*.  trans-87.6174.6171-60.9-172.814.500111.7D330 E331 G373Q328-D330 WeakPolarHBondContact CB-OD1 3.16Å; Q328-D330 PolarHBondContact O-N 3.29Å; Q328-D330 VanDerWaalsContact O-N 3.14Å; Q328-E331 HydrophobicContact CB-CG 4.26Å; Q328-E331 PolarHBondContact N-OE2 2.84Å; Q328-E331 PolarHBondContact O-N 3.18Å; Q328-G373 VanDerWaalsContact O-CA 3.26Å; Q328-G373 WeakPolarHBondContact O-CA 3.38Å
329N86.4Confident90.4Very high127 Ų12757.8 Ų57.868%0.67928%0.281SS*.THydrogen-bonded Turntrans-57.2-27.9179.5-67.7-2.6000113.2P374N329-P374 VanDerWaalsContact OD1-CB 3.24Å; N329-P374 WeakPolarHBondContact OD1-CB 3.44Å; N329-P374 WeakPolarHBondContact OD1-CD 3.27Å; N329-P374 WeakPolarHBondContact OD1-CG 3.44Å
330D89.5Confident90.5Very high71 Ų7157 Ų5738%0.3828%0.284SS..THydrogen-bonded Turntrans-98.710.8-178.664.5-37.6000113.2Q328 N390 V391 M419Q328-D330 WeakPolarHBondContact CB-OD1 3.16Å; Q328-D330 PolarHBondContact O-N 3.29Å; Q328-D330 VanDerWaalsContact O-N 3.14Å; D330-N390 CarbonylContact O-C 3.55Å; D330-N390 WeakPolarHBondContact O-CA 3.49Å; D330-V391 HydrophobicContact CB-CB 4.03Å; D330-V391 HydrophobicContact CB-CG2 3.76Å; D330-V391 WeakPolarHBondContact O-CG2 3.28Å; D330-V391 PolarHBondContact O-N 2.8Å; D330-M419 VanDerWaalsContact O-CE 3.26Å; D330-M419 WeakPolarHBondContact O-CE 3.35Å
331E92.1Very high90.3Very high23 Ų2357 Ų5711%0.10728%0.277CS..EExtended strand (participates in β ladder)trans-123.6152.5-179.7-59.6-173.113500112.1L327 Q328 G373 R388 R389L327-E331 HydrophobicContact CB-CB 4.38Å; L327-E331 HydrophobicContact CD2-CB 4.24Å; Q328-E331 HydrophobicContact CB-CG 4.26Å; Q328-E331 PolarHBondContact N-OE2 2.84Å; Q328-E331 PolarHBondContact O-N 3.18Å; E331-G373 PolarHBondContact O-N 3.33Å; E331-R388 IonicContact OE1-CZ 3.75Å; E331-R388 IonicContact OE1-NE 3.97Å; E331-R388 PolarHBondContact OE1-NE 3.45Å; E331-R388 IonicContact OE1-NH2 3.78Å; E331-R388 PolarHBondContact OE1-NH2 2.96Å; E331-R388 IonicContact OE2-CZ 3.99Å; E331-R388 IonicContact OE2-NE 2.9Å; E331-R388 IonicContact OE2-NH2 3.59Å; E331-R388 PolarHBondContact OE2-NH2 2.95Å; E331-R389 CarbonylContact C-O 3.58Å; E331-R389 WeakPolarHBondContact CA-O 3.48Å
332G90.7Very high89.9Confident0 Ų058.2 Ų58.20%028%0.284CS..EExtended strand (participates in β ladder)trans-150160173.800000112.3L371 R389G332-L371 CarbonylContact C-O 3.31Å; G332-L371 WeakPolarHBondContact CA-O 3.48Å; G332-R389 PolarHBondContact N-O 2.9Å; G332-R389 PolarHBondContact O-N 2.89Å
333L92.8Very high89.1Confident1 Ų157.1 Ų57.11%0.00528%0.279CS..EExtended strand (participates in β ladder)trans-114.4135173.7-69.6176.8000110.3Y325 L327 L335 M370 L371 Y377 V385 R388Y325-L333 HydrophobicContact CD1-CD1 3.81Å; Y325-L333 HydrophobicContact CD1-CD2 4.09Å; Y325-L333 HydrophobicContact CD2-CD1 4.26Å; Y325-L333 HydrophobicContact CE1-CD2 4.48Å; Y325-L333 HydrophobicContact CG-CD1 3.65Å; L327-L333 HydrophobicContact CD1-CB 4.38Å; L327-L333 HydrophobicContact CD1-CD1 4.02Å; L327-L333 HydrophobicContact CD1-CG 3.82Å; L327-L333 HydrophobicContact CD2-CD1 4.14Å; L327-L333 HydrophobicContact CD2-CD2 4.14Å; L327-L333 HydrophobicContact CD2-CG 3.7Å; L327-L333 HydrophobicContact CG-CD1 4.43Å; L327-L333 HydrophobicContact CG-CG 4.3Å; L333-L335 HydrophobicContact CB-CD2 3.96Å; L333-L335 HydrophobicContact CB-CG 4.35Å; L333-L335 HydrophobicContact CD1-CD2 4.47Å; L333-M370 CarbonylContact O-C 3.58Å; L333-M370 WeakPolarHBondContact O-CA 3.42Å; L333-L371 PolarHBondContact N-O 2.99Å; L333-L371 PolarHBondContact O-N 3.33Å; L333-Y377 HydrophobicContact CD1-CD1 4.06Å; L333-V385 HydrophobicContact CB-CG1 4.48Å; L333-V385 HydrophobicContact CD1-CG1 4.25Å; L333-V385 HydrophobicContact CD1-CG2 4.49Å; L333-V385 HydrophobicContact CD2-CG1 3.77Å; L333-V385 HydrophobicContact CG-CG1 4.38Å; L333-R388 HydrophobicContact CD2-CB 3.97Å; L333-R388 HydrophobicContact CD2-CG 4.06Å
334I92.2Very high88Confident6 Ų656.8 Ų56.83%0.03128%0.277CS..EExtended strand (participates in β ladder)trans-87114.8165.8-60.4-179.7000107.5I386 D387 R389 Q422I334-I386 HydrophobicContact CG2-CB 4.31Å; I334-I386 HydrophobicContact CG2-CD1 4.46Å; I334-I386 PolarHBondContact O-N 2.78Å; I334-D387 HydrophobicContact CB-CB 4.16Å; I334-D387 HydrophobicContact CD1-CB 4.2Å; I334-D387 HydrophobicContact CG1-CB 4.44Å; I334-D387 PolarHBondContact N-O 2.67Å; I334-R389 HydrophobicContact CD1-CG 3.73Å; I334-R389 HydrophobicContact CG1-CG 3.86Å; I334-Q422 HydrophobicContact CG2-CB 4.21Å
335L91.9Very high86.6Confident0 Ų059.3 Ų59.30%029%0.289CS..EExtended strand (participates in β ladder)trans-103.8149.3179.9-57.2-179.3000109.9L333 R368 W369 L371 Y377 V383 E384 V385L333-L335 HydrophobicContact CB-CD2 3.96Å; L333-L335 HydrophobicContact CB-CG 4.35Å; L333-L335 HydrophobicContact CD1-CD2 4.47Å; L335-R368 VanDerWaalsContact O-CA 3.26Å; L335-R368 WeakPolarHBondContact O-CA 3.5Å; L335-W369 HydrophobicContact CB-CD2 3.98Å; L335-W369 HydrophobicContact CB-CE3 4.24Å; L335-W369 HydrophobicContact CB-CH2 3.95Å; L335-W369 HydrophobicContact CB-CZ2 3.68Å; L335-W369 HydrophobicContact CB-CZ3 4.22Å; L335-W369 HydrophobicContact CD1-CZ2 3.7Å; L335-W369 HydrophobicContact CG-CZ2 4.35Å; L335-W369 PolarHBondContact N-O 3.31Å; L335-W369 PolarHBondContact O-N 2.83Å; L335-W369 VanDerWaalsContact O-N 3.12Å; L335-L371 HydrophobicContact CD1-CB 3.93Å; L335-L371 HydrophobicContact CD1-CD2 4.29Å; L335-L371 HydrophobicContact CG-CB 4.46Å; L335-Y377 HydrophobicContact CD1-CE1 3.69Å; L335-Y377 HydrophobicContact CD1-CE2 4.42Å; L335-Y377 WeakPolarHBondContact CD1-OH 3.48Å; L335-Y377 HydrophobicContact CD2-CD1 4.5Å; L335-Y377 HydrophobicContact CD2-CE1 3.78Å; L335-Y377 HydrophobicContact CG-CE1 4.42Å; L335-V383 HydrophobicContact CB-CG1 3.87Å; L335-V383 HydrophobicContact CD1-CG1 4.25Å; L335-V383 HydrophobicContact CD2-CG1 4.08Å; L335-V383 HydrophobicContact CG-CG1 4.28Å; L335-E384 CarbonylContact C-O 3.53Å; L335-E384 WeakPolarHBondContact CA-O 3.34Å; L335-V385 HydrophobicContact CD2-CB 4.31Å; L335-V385 HydrophobicContact CD2-CG1 4.47Å; L335-V385 HydrophobicContact CD2-CG2 3.75Å
336R92.7Very high84.7Confident84 Ų8461.7 Ų61.732%0.31731%0.313SS..EExtended strand (participates in β ladder)trans-131.9131.5171.1171.2175.266.7-167.43.4110.7K338 D367 R368 E384 I386R336-K338 PolarHBondContact O-N 3.26Å; R336-D367 WeakPolarHBondContact CA-O 3.4Å; R336-R368 HydrophobicContact CB-CG 4.38Å; R336-E384 IonicContact CZ-OE2 2.7Å; R336-E384 PolarHBondContact N-O 3.45Å; R336-E384 IonicContact NE-OE2 2.77Å; R336-E384 PolarHBondContact NE-OE2 3.02Å; R336-E384 IonicContact NH2-OE2 3.25Å; R336-E384 PolarHBondContact NH2-OE2 3.29Å; R336-E384 PolarHBondContact O-N 2.87Å; R336-I386 HydrophobicContact CB-CD1 3.37Å; R336-I386 HydrophobicContact CB-CG1 3.86Å; R336-I386 HydrophobicContact CG-CD1 4.22Å
337A90.8Very high82.3Confident1 Ų158.8 Ų58.81%0.00831%0.308CS..EExtended strand (participates in β ladder)trans-74.6125.7172.700000110.3F341 R363 R364 P365 G366 D367 W369A337-F341 HydrophobicContact CB-CD1 4.5Å; A337-F341 HydrophobicContact CB-CE1 4.07Å; A337-R363 HydrophobicContact CB-CB 3.98Å; A337-R364 WeakPolarHBondContact CB-O 3.37Å; A337-P365 WeakPolarHBondContact O-CA 3.43Å; A337-G366 PolarHBondContact O-N 2.77Å; A337-D367 PolarHBondContact N-O 3.38Å; A337-D367 VanDerWaalsContact N-O 3.08Å; A337-W369 HydrophobicContact CB-CH2 4.47Å; A337-W369 HydrophobicContact CB-CZ3 4.06Å
338K89.2Confident79.9Confident91 Ų9165.6 Ų65.640%0.39634%0.344SS..SBendtrans-83.4-39.4169.3-75.7179.2165.2158.20111.1R336 P365 E382 E384R336-K338 PolarHBondContact O-N 3.26Å; K338-P365 WeakPolarHBondContact O-CB 3.39Å; K338-E382 PolarHBondContact N-O 2.84Å; K338-E384 HydrophobicContact CD-CB 4.21Å; K338-E384 VanDerWaalsContact CE-OE1 3.29Å; K338-E384 WeakPolarHBondContact CE-OE1 3.39Å; K338-E384 WeakPolarHBondContact CE-OE2 3.44Å; K338-E384 HydrophobicContact CG-CB 4.25Å; K338-E384 VanDerWaalsContact NZ-CD 3.28Å; K338-E384 IonicContact NZ-OE1 3.72Å; K338-E384 PolarHBondContact NZ-OE1 3.01Å; K338-E384 IonicContact NZ-OE2 2.84Å
339E88.3Confident77.4Confident123 Ų12364.8 Ų64.858%0.57536%0.358SS*.SBendtrans-126.2164.1-178.5-64.9-176.7-167.200110.3F341 E382E339-F341 PolarHBondContact O-N 3.49Å; E339-E382 HydrophobicContact CB-CB 4.22Å; E339-E382 HydrophobicContact CB-CG 4.26Å
340Q90.9Very high75.2Confident137 Ų13766 Ų6664%0.6436%0.363SS*.  trans-73.9122.7174.6-177.9178.5-6.500109.3I362 R363Q340-I362 HydrophobicContact CG-CG2 4.27Å; Q340-R363 VanDerWaalsContact CA-O 3.3Å; Q340-R363 WeakPolarHBondContact CA-O 3.42Å; Q340-R363 WeakPolarHBondContact CG-O 3.4Å
341F86.6Confident72.7Confident28 Ų2867.3 Ų67.312%0.12338%0.377CS..EExtended strand (participates in β ladder)trans-145.3164.6174.279-75.4000111.1A337 E339 E343 R363 W369 E382 V383A337-F341 HydrophobicContact CB-CD1 4.5Å; A337-F341 HydrophobicContact CB-CE1 4.07Å; E339-F341 PolarHBondContact O-N 3.49Å; F341-E343 HydrophobicContact CD2-CB 4.49Å; F341-E343 HydrophobicContact CE2-CB 3.71Å; F341-E343 HydrophobicContact CE2-CG 4.18Å; F341-E343 HydrophobicContact CZ-CB 4.15Å; F341-R363 HydrophobicContact CD1-CB 4.02Å; F341-R363 HydrophobicContact CE1-CB 3.68Å; F341-R363 HydrophobicContact CE1-CG 3.86Å; F341-R363 HydrophobicContact CZ-CB 4.26Å; F341-R363 HydrophobicContact CZ-CG 3.92Å; F341-R363 PolarHBondContact N-O 3.48Å; F341-R363 PolarHBondContact O-N 2.81Å; F341-W369 HydrophobicContact CE1-CH2 4.06Å; F341-W369 AromaticContact CZ-CH2 3.91Å; F341-W369 HydrophobicContact CZ-CH2 3.91Å; F341-W369 HydrophobicContact CZ-CZ2 4.25Å; F341-E382 HydrophobicContact CB-CB 4.07Å; F341-E382 HydrophobicContact CB-CG 4.02Å; F341-E382 HydrophobicContact CD1-CB 3.69Å; F341-E382 HydrophobicContact CE1-CB 4.38Å; F341-E382 HydrophobicContact CG-CB 3.93Å; F341-E382 HydrophobicContact CG-CG 4.37Å; F341-V383 HydrophobicContact CD1-CG2 4.35Å; F341-V383 HydrophobicContact CE1-CG2 3.39Å; F341-V383 HydrophobicContact CE2-CG2 4Å; F341-V383 HydrophobicContact CZ-CG2 3.18Å
342V82.8Confident70.1Confident82 Ų8275.7 Ų75.750%0.49742%0.416SS..EExtended strand (participates in β ladder)trans-101.8114.5176.4-175.20000107.7K360 I362V342-K360 HydrophobicContact CG1-CB 3.79Å; V342-K360 HydrophobicContact CG1-CD 4.14Å; V342-K360 HydrophobicContact CG1-CG 4.27Å; V342-I362 HydrophobicContact CG2-CG1 4.33Å
343E74.8Confident67.6Low22 Ų2279.6 Ų79.610%0.10346%0.457CS..EExtended strand (participates in β ladder)trans-86.2122.6176.1-169.6178.7-156.500109.1F341 I345 C361 R363 W369F341-E343 HydrophobicContact CD2-CB 4.49Å; F341-E343 HydrophobicContact CE2-CB 3.71Å; F341-E343 HydrophobicContact CE2-CG 4.18Å; F341-E343 HydrophobicContact CZ-CB 4.15Å; E343-I345 HydrophobicContact CG-CG1 4.13Å; E343-I345 PolarHBondContact O-N 3.13Å; E343-C361 PolarHBondContact N-O 2.88Å; E343-C361 PolarHBondContact O-N 3.33Å; E343-R363 HydrophobicContact CB-CG 4.28Å; E343-R363 IonicContact OE2-CZ 2.71Å; E343-R363 IonicContact OE2-NE 3.29Å; E343-R363 PolarHBondContact OE2-NE 2.97Å; E343-R363 IonicContact OE2-NH2 3.12Å; E343-R363 PolarHBondContact OE2-NH2 3.34Å; E343-W369 PolarHBondContact OE1-NE1 3.47Å
344D67.8Low64.9Low100 Ų10087.7 Ų87.754%0.53550%0.495SS..EExtended strand (participates in β ladder)trans-82.296168.2-75.8-24.2000107.9C346 K360D344-C346 PolarHBondContact O-N 2.95Å; D344-K360 VanDerWaalsContact OD1-CE 3.25Å; D344-K360 WeakPolarHBondContact OD1-CE 3.43Å; D344-K360 WeakPolarHBondContact OD1-CG 3.3Å; D344-K360 IonicContact OD1-NZ 3.41Å
345I60.2Low62.5Low64 Ų6492.9 Ų92.933%0.32853%0.532SS..EExtended strand (participates in β ladder)trans-77.6110.9176.8-54.9172.6000107.7E343 G347 K359 C361E343-I345 HydrophobicContact CG-CG1 4.13Å; E343-I345 PolarHBondContact O-N 3.13Å; I345-G347 PolarHBondContact O-N 2.86Å; I345-K359 PolarHBondContact N-O 2.89Å; I345-C361 HydrophobicContact CD1-CB 3.66Å; I345-C361 HydrophobicContact CG1-CB 4.36Å
346C49.6Very low60.1Low112 Ų11298.2 Ų98.276%0.75756%0.564SS**  trans-65.4103.1161.3-79.50000107.2D344D344-C346 PolarHBondContact O-N 2.95Å
347G39.6Very low57.7Low38 Ų38102.9 Ų102.939%0.39259%0.586SS.*  trans-58.3143.5175.600000110.9I345 A349I345-G347 PolarHBondContact O-N 2.86Å; G347-A349 PolarHBondContact O-N 3.12Å
348D39.5Very low55.4Low146 Ų146109.4 Ų109.478%0.78162%0.617SS**  trans-40.9119177.3-65.8-40000111.3I350D348-I350 PolarHBondContact O-N 3.33Å
349A37.7Very low53.8Low104 Ų104112.9 Ų112.986%0.8663%0.632SS**THydrogen-bonded Turntrans-66.710.1-177.700000114.4G347G347-A349 PolarHBondContact O-N 3.12Å
350I40.7Very low52.9Low153 Ų153113.8 Ų113.879%0.78563%0.634SS**THydrogen-bonded Turntrans-108.2-6.1-168.5-52.9171000112.7D348 E352D348-I350 PolarHBondContact O-N 3.33Å; I350-E352 VanDerWaalsContact C-N 3.3Å; I350-E352 PolarHBondContact O-N 2.97Å
351S36.8Very low52.2Low98 Ų98109.1 Ų109.169%0.68562%0.616SS**  trans-8181.9167.9-65.80000110.1G353S351-G353 PolarHBondContact O-N 3.38Å; S351-G353 VanDerWaalsContact O-N 3.1Å
352E36.2Very low52.2Low199 Ų199112.6 Ų112.693%0.9364%0.635SS**THydrogen-bonded Turntrans-54.2114.7167.2-72-151.9164.100109.7I350I350-E352 VanDerWaalsContact C-N 3.3Å; I350-E352 PolarHBondContact O-N 2.97Å
353G38.6Very low52.4Low83 Ų83110.4 Ų110.486%0.85662%0.618SS**THydrogen-bonded Turntrans121.9-11.3163.200000117.2S351S351-G353 PolarHBondContact O-N 3.38Å; S351-G353 VanDerWaalsContact O-N 3.1Å
354E36.4Very low53.2Low171 Ų171117.5 Ų117.580%0.79964%0.644SS**SBendtrans-116.5125.1173-71-165.6162.700111.2V356E354-V356 PolarHBondContact O-N 2.99Å; E354-V356 VanDerWaalsContact O-N 3.15Å
355S41Very low54.2Low115 Ų115116.5 Ų116.580%0.80464%0.643SS**  trans-44.1121.9176.4-470000110.5K357S355-K357 VanDerWaalsContact C-N 3.27Å; S355-K357 PolarHBondContact O-N 3.2Å
356V41.5Very low55.4Low111 Ų111115.6 Ų115.667%0.67365%0.649SS**  trans-54.987.4-179.9-1760000109.6E354 Q358E354-V356 PolarHBondContact O-N 2.99Å; E354-V356 VanDerWaalsContact O-N 3.15Å; V356-Q358 PolarHBondContact O-N 3.16Å
357K42.6Very low57.4Low182 Ų182113.2 Ų113.279%0.79163%0.629SS**  trans-71.499.4168.9-80.8-179.6178.8171.40105.8S355 K359S355-K357 VanDerWaalsContact C-N 3.27Å; S355-K357 PolarHBondContact O-N 3.2Å; K357-K359 VanDerWaalsContact C-N 3.35Å; K357-K359 PolarHBondContact O-N 2.93Å
358Q42.9Very low59.7Low139 Ų139117.5 Ų117.565%0.6563%0.633SS**  trans-48.9101165.4-73.4175.9-22.500108.2V356 K360V356-Q358 PolarHBondContact O-N 3.16Å; Q358-K360 PolarHBondContact O-N 3.17Å
359K56.4Low62.2Low163 Ų163111.3 Ų111.371%0.70960%0.599SS**EExtended strand (participates in β ladder)trans-82.2105.6177.1-91-178.8177.2172.50106.9I345 K357 C361I345-K359 PolarHBondContact N-O 2.89Å; K357-K359 VanDerWaalsContact C-N 3.35Å; K357-K359 PolarHBondContact O-N 2.93Å; K359-C361 PolarHBondContact O-N 3.37Å
360K69Low64.7Low142 Ų142107.5 Ų107.562%0.61756%0.563SS**EExtended strand (participates in β ladder)trans-73.9118.7169-65.1-164.9174.1-166.30109V342 D344 Q358V342-K360 HydrophobicContact CG1-CB 3.79Å; V342-K360 HydrophobicContact CG1-CD 4.14Å; V342-K360 HydrophobicContact CG1-CG 4.27Å; D344-K360 VanDerWaalsContact OD1-CE 3.25Å; D344-K360 WeakPolarHBondContact OD1-CE 3.43Å; D344-K360 WeakPolarHBondContact OD1-CG 3.3Å; D344-K360 IonicContact OD1-NZ 3.41Å; Q358-K360 PolarHBondContact O-N 3.17Å
361C75.6Confident67.1Low39 Ų39101.6 Ų101.626%0.26453%0.533SS..EExtended strand (participates in β ladder)trans-106.6123.7175.6-168.60000109.3E343 I345 K359 R363E343-C361 PolarHBondContact N-O 2.88Å; E343-C361 PolarHBondContact O-N 3.33Å; I345-C361 HydrophobicContact CD1-CB 3.66Å; I345-C361 HydrophobicContact CG1-CB 4.36Å; K359-C361 PolarHBondContact O-N 3.37Å; C361-R363 PolarHBondContact O-N 3.4Å
362I87.6Confident69.5Low102 Ų102103.5 Ų103.552%0.52353%0.525SS..EExtended strand (participates in β ladder)trans-83.5110.6174.1-56.9173.1000107.2Q340 V342Q340-I362 HydrophobicContact CG-CG2 4.27Å; V342-I362 HydrophobicContact CG2-CG1 4.33Å
363R86.7Confident71.9Confident36 Ų3694.8 Ų94.814%0.13649%0.489CS..EExtended strand (participates in β ladder)trans-89.7132.3174.7-58.7-62.1-174.5175.93109.4A337 Q340 F341 E343 C361 W369A337-R363 HydrophobicContact CB-CB 3.98Å; Q340-R363 VanDerWaalsContact CA-O 3.3Å; Q340-R363 WeakPolarHBondContact CA-O 3.42Å; Q340-R363 WeakPolarHBondContact CG-O 3.4Å; F341-R363 HydrophobicContact CD1-CB 4.02Å; F341-R363 HydrophobicContact CE1-CB 3.68Å; F341-R363 HydrophobicContact CE1-CG 3.86Å; F341-R363 HydrophobicContact CZ-CB 4.26Å; F341-R363 HydrophobicContact CZ-CG 3.92Å; F341-R363 PolarHBondContact N-O 3.48Å; F341-R363 PolarHBondContact O-N 2.81Å; E343-R363 HydrophobicContact CB-CG 4.28Å; E343-R363 IonicContact OE2-CZ 2.71Å; E343-R363 IonicContact OE2-NE 3.29Å; E343-R363 PolarHBondContact OE2-NE 2.97Å; E343-R363 IonicContact OE2-NH2 3.12Å; E343-R363 PolarHBondContact OE2-NH2 3.34Å; C361-R363 PolarHBondContact O-N 3.4Å; R363-W369 HydrophobicContact CG-CH2 4.13Å; R363-W369 HydrophobicContact CG-CZ3 4.14Å; R363-W369 VanDerWaalsContact NH2-CD1 3.28Å
364R90.8Very high74.4Confident170 Ų17095.5 Ų95.564%0.64248%0.478SS*.PPolyproline II helixtrans-99154.2173.6-62.5-180-178.2-171.40.6110.2A337 G366 D367A337-R364 WeakPolarHBondContact CB-O 3.37Å; R364-G366 PolarHBondContact O-N 3.12Å; R364-D367 PolarHBondContact N-OD2 3.48Å; R364-D367 VanDerWaalsContact O-CB 3.28Å; R364-D367 WeakPolarHBondContact O-CB 3.16Å; R364-D367 VanDerWaalsContact O-CG 3.28Å; R364-D367 PolarHBondContact O-N 2.72Å
365P89.6Confident76.8Confident80 Ų8090.8 Ų90.852%0.51946%0.458SS..THydrogen-bonded Turntrans-51.5127.7174.3-26.934.5000111.8A337 K338A337-P365 WeakPolarHBondContact O-CA 3.43Å; K338-P365 WeakPolarHBondContact O-CB 3.39Å
366G85.8Confident79Confident44 Ų4489.4 Ų89.445%0.45444%0.439SS..THydrogen-bonded Turntrans93.3-16.3-178.700000115.3A337 R364 R368A337-G366 PolarHBondContact O-N 2.77Å; R364-G366 PolarHBondContact O-N 3.12Å; G366-R368 PolarHBondContact O-N 2.96Å
367D89.8Confident81.3Confident62 Ų6285.3 Ų85.333%0.33241%0.412SS..  trans-58.2131176.4-71.9-8.1000110R336 A337 R364R336-D367 WeakPolarHBondContact CA-O 3.4Å; A337-D367 PolarHBondContact N-O 3.38Å; A337-D367 VanDerWaalsContact N-O 3.08Å; R364-D367 PolarHBondContact N-OD2 3.48Å; R364-D367 VanDerWaalsContact O-CB 3.28Å; R364-D367 WeakPolarHBondContact O-CB 3.16Å; R364-D367 VanDerWaalsContact O-CG 3.28Å; R364-D367 PolarHBondContact O-N 2.72Å
368R89.7Confident83.5Confident129 Ų12977.9 Ų77.949%0.48738%0.38SS..EExtended strand (participates in β ladder)trans-110.2140.5175.7-60.5-174.6-173.4-169.71110.2L335 R336 G366 I386 Q422L335-R368 VanDerWaalsContact O-CA 3.26Å; L335-R368 WeakPolarHBondContact O-CA 3.5Å; R336-R368 HydrophobicContact CB-CG 4.38Å; G366-R368 PolarHBondContact O-N 2.96Å; R368-I386 HydrophobicContact CG-CD1 4.37Å; R368-Q422 HydrophobicContact CB-CB 4.35Å; R368-Q422 HydrophobicContact CB-CG 4.35Å
369W90Very high85.8Confident16 Ų1672 Ų726%0.06135%0.354CS..EExtended strand (participates in β ladder)trans-149.4161.4171.470.5104000110.6L335 A337 F341 E343 R363 V383L335-W369 HydrophobicContact CB-CD2 3.98Å; L335-W369 HydrophobicContact CB-CE3 4.24Å; L335-W369 HydrophobicContact CB-CH2 3.95Å; L335-W369 HydrophobicContact CB-CZ2 3.68Å; L335-W369 HydrophobicContact CB-CZ3 4.22Å; L335-W369 HydrophobicContact CD1-CZ2 3.7Å; L335-W369 HydrophobicContact CG-CZ2 4.35Å; L335-W369 PolarHBondContact N-O 3.31Å; L335-W369 PolarHBondContact O-N 2.83Å; L335-W369 VanDerWaalsContact O-N 3.12Å; A337-W369 HydrophobicContact CB-CH2 4.47Å; A337-W369 HydrophobicContact CB-CZ3 4.06Å; F341-W369 HydrophobicContact CE1-CH2 4.06Å; F341-W369 AromaticContact CZ-CH2 3.91Å; F341-W369 HydrophobicContact CZ-CH2 3.91Å; F341-W369 HydrophobicContact CZ-CZ2 4.25Å; E343-W369 PolarHBondContact OE1-NE1 3.47Å; R363-W369 HydrophobicContact CG-CH2 4.13Å; R363-W369 HydrophobicContact CG-CZ3 4.14Å; R363-W369 VanDerWaalsContact NH2-CD1 3.28Å; W369-V383 HydrophobicContact CH2-CG1 4.02Å; W369-V383 HydrophobicContact CH2-CG2 4.03Å; W369-V383 HydrophobicContact CZ2-CG1 4.28Å; W369-V383 HydrophobicContact CZ2-CG2 4.43Å
370M91.3Very high87.3Confident24 Ų2466 Ų6612%0.11833%0.332CS..EExtended strand (participates in β ladder)trans-97.6128.2173.2172.6173-8500110.2L333 R372 R389 M419 L420L333-M370 CarbonylContact O-C 3.58Å; L333-M370 WeakPolarHBondContact O-CA 3.42Å; M370-R372 HydrophobicContact CG-CG 3.98Å; M370-R372 HydrophobicContact SD-CG 4.1Å; M370-R389 HydrophobicContact CE-CB 3.82Å; M370-R389 HydrophobicContact CE-CG 3.84Å; M370-M419 HydrophobicContact CE-CG 4.04Å; M370-M419 HydrophobicContact CE-SD 3.88Å; M370-M419 HydrophobicContact SD-CG 4.33Å; M370-M419 HydrophobicContact SD-SD 3.68Å; M370-M419 VanDerWaalsContact SD-SD 3.68Å; M370-L420 WeakPolarHBondContact CE-O 3.44Å
371L90Very high88.2Confident29 Ų2961.4 Ų61.415%0.15232%0.315CS..EExtended strand (participates in β ladder)trans-94.7127.3163.5-179.668.7000108.4L327 G332 L333 L335 I375 Y377L327-L371 HydrophobicContact CD1-CD2 4.07Å; L327-L371 HydrophobicContact CD1-CG 4.2Å; G332-L371 CarbonylContact C-O 3.31Å; G332-L371 WeakPolarHBondContact CA-O 3.48Å; L333-L371 PolarHBondContact N-O 2.99Å; L333-L371 PolarHBondContact O-N 3.33Å; L335-L371 HydrophobicContact CD1-CB 3.93Å; L335-L371 HydrophobicContact CD1-CD2 4.29Å; L335-L371 HydrophobicContact CG-CB 4.46Å; L371-I375 HydrophobicContact CD1-CG2 4.42Å; L371-I375 HydrophobicContact CD2-CG2 4.12Å; L371-I375 HydrophobicContact CG-CG2 4.19Å; L371-Y377 HydrophobicContact CD2-CD1 3.76Å; L371-Y377 HydrophobicContact CD2-CD2 3.42Å; L371-Y377 VanDerWaalsContact CD2-CD2 3.42Å; L371-Y377 HydrophobicContact CD2-CE1 4.28Å; L371-Y377 HydrophobicContact CD2-CE2 3.99Å; L371-Y377 HydrophobicContact CD2-CG 3.29Å
372R87.6Confident88.9Confident138 Ų13862.6 Ų62.652%0.52132%0.317SS..EExtended strand (participates in β ladder)trans-104.5145.7179.3-64.9-179.2180-101-2.6110.3M370M370-R372 HydrophobicContact CG-CG 3.98Å; M370-R372 HydrophobicContact SD-CG 4.1Å
373G87.4Confident89Confident16 Ų1658.2 Ų58.217%0.16530%0.295CS..SBendtrans-76174.8169.900000113.2Q328 E331Q328-G373 VanDerWaalsContact O-CA 3.26Å; Q328-G373 WeakPolarHBondContact O-CA 3.38Å; E331-G373 PolarHBondContact O-N 3.33Å
374P90.6Very high89.2Confident97 Ų9758.3 Ų58.363%0.6330%0.297SS*.SBendcis-86.3115.16.733.1-31.4000112.2L327 N329L327-P374 CarbonylContact O-C 3.55Å; L327-P374 WeakPolarHBondContact O-CA 2.98Å; N329-P374 VanDerWaalsContact OD1-CB 3.24Å; N329-P374 WeakPolarHBondContact OD1-CB 3.44Å; N329-P374 WeakPolarHBondContact OD1-CD 3.27Å; N329-P374 WeakPolarHBondContact OD1-CG 3.44Å
375I88Confident89.2Confident72 Ų7251.8 Ų51.837%0.36928%0.276SS..EExtended strand (participates in β ladder)trans-154.2144.7179.3-166.6163000111.4L327 L371L327-I375 HydrophobicContact CB-CG2 4.48Å; L327-I375 HydrophobicContact CD1-CG2 4.12Å; L327-I375 PolarHBondContact N-O 2.71Å; L327-I375 PolarHBondContact O-N 2.85Å; L327-I375 VanDerWaalsContact O-N 3.09Å; L371-I375 HydrophobicContact CD1-CG2 4.42Å; L371-I375 HydrophobicContact CD2-CG2 4.12Å; L371-I375 HydrophobicContact CG-CG2 4.19Å
376E86.6Confident89.2Confident86 Ų8651.1 Ų51.140%0.40227%0.267SS..EExtended strand (participates in β ladder)trans-87.3120.2163.8-178.1-176.9174.200109.2H280 A324 Y325H280-E376 IonicContact CE1-OE1 3.14Å; H280-E376 IonicContact CE1-OE2 2.69Å; H280-E376 PolarHBondContact CE1-OE2 2.69Å; H280-E376 VanDerWaalsContact CE1-OE2 3.28Å; H280-E376 IonicContact CG-OE1 3.18Å; H280-E376 IonicContact ND1-OE1 2.77Å; H280-E376 PolarHBondContact ND1-OE1 2.63Å; H280-E376 IonicContact ND1-OE2 3.07Å; H280-E376 PolarHBondContact ND1-OE2 3.03Å; A324-E376 HydrophobicContact CB-CG 3.83Å; A324-E376 WeakPolarHBondContact CB-OE1 3.41Å; Y325-E376 WeakPolarHBondContact O-CA 3.43Å
377Y89.4Confident89.3Confident26 Ų2652 Ų5210%0.10226%0.262CS..EExtended strand (participates in β ladder)trans-121.5126.6-176.2-175.8-109000111.9Y325 L333 L335 L371 P379 P380Y325-Y377 WeakPolarHBondContact CB-O 3.47Å; Y325-Y377 PolarHBondContact N-O 2.93Å; Y325-Y377 PolarHBondContact O-N 3.47Å; L333-Y377 HydrophobicContact CD1-CD1 4.06Å; L335-Y377 HydrophobicContact CD1-CE1 3.69Å; L335-Y377 HydrophobicContact CD1-CE2 4.42Å; L335-Y377 WeakPolarHBondContact CD1-OH 3.48Å; L335-Y377 HydrophobicContact CD2-CD1 4.5Å; L335-Y377 HydrophobicContact CD2-CE1 3.78Å; L335-Y377 HydrophobicContact CG-CE1 4.42Å; L371-Y377 HydrophobicContact CD2-CD1 3.76Å; L371-Y377 HydrophobicContact CD2-CD2 3.42Å; L371-Y377 VanDerWaalsContact CD2-CD2 3.42Å; L371-Y377 HydrophobicContact CD2-CE1 4.28Å; L371-Y377 HydrophobicContact CD2-CE2 3.99Å; L371-Y377 HydrophobicContact CD2-CG 3.29Å; Y377-P379 HydrophobicContact CE1-CB 3.89Å; Y377-P380 WeakPolarHBondContact OH-CD 3.33Å
378I89.3Confident89.4Confident26 Ų2654.9 Ų54.913%0.13327%0.268CS..  trans-112.4114.1170.4-64.5174.5000106.9F282 L302 R304 A324 P380F282-I378 HydrophobicContact CB-CD1 4.36Å; F282-I378 HydrophobicContact CB-CG2 3.82Å; F282-I378 HydrophobicContact CD1-CG1 4.19Å; F282-I378 HydrophobicContact CD1-CG2 3.84Å; F282-I378 HydrophobicContact CD2-CG2 3.91Å; F282-I378 HydrophobicContact CE1-CG2 4.37Å; F282-I378 HydrophobicContact CE2-CG2 4.42Å; F282-I378 HydrophobicContact CG-CG2 3.58Å; L302-I378 HydrophobicContact CD1-CG2 4.08Å; L302-I378 HydrophobicContact CD2-CG2 4.13Å; R304-I378 HydrophobicContact CB-CD1 3.82Å; A324-I378 HydrophobicContact CB-CD1 4.09Å; A324-I378 HydrophobicContact CB-CG1 3.6Å; I378-P380 WeakPolarHBondContact O-CD 3.36Å
379P90Very high89.4Confident14 Ų1451.1 Ų51.19%0.09125%0.254CS..  trans-63.8128-176.825-32.9000110.8F282 Y325 Y377 V385F282-P379 HydrophobicContact CE2-CG 4.13Å; F282-P379 HydrophobicContact CZ-CG 3.79Å; Y325-P379 HydrophobicContact CE2-CG 4.05Å; Y377-P379 HydrophobicContact CE1-CB 3.89Å; P379-V385 HydrophobicContact CB-CG2 4.17Å; P379-V385 HydrophobicContact CG-CG2 4.23Å
380P89.5Confident89.5Confident38 Ų3854.4 Ų54.425%0.24727%0.272CS..  trans-58162.1165.4-22.633.7000111.6Y377 I378 E382 V383Y377-P380 WeakPolarHBondContact OH-CD 3.33Å; I378-P380 WeakPolarHBondContact O-CD 3.36Å; P380-E382 WeakPolarHBondContact CB-OE2 3.4Å; P380-E382 PolarHBondContact O-N 3.46Å; P380-V383 HydrophobicContact CB-CG2 4.26Å; P380-V383 HydrophobicContact CG-CG2 4.2Å; P380-V383 PolarHBondContact O-N 3.38Å
381V88.1Confident89.6Confident46 Ų4655.1 Ų55.128%0.27928%0.278SS..THydrogen-bonded Turntrans-60.2-31.8-178.9177.60000111.5K300 L302 V383K300-V381 HydrophobicContact CB-CG1 3.63Å; K300-V381 HydrophobicContact CB-CG2 4.33Å; K300-V381 HydrophobicContact CD-CG1 3.71Å; K300-V381 HydrophobicContact CG-CG1 4.31Å; L302-V381 HydrophobicContact CB-CG2 3.97Å; V381-V383 PolarHBondContact O-N 3.27Å
382E88.9Confident89.7Confident64 Ų6455.3 Ų55.330%0.29928%0.279SS..THydrogen-bonded Turntrans-77.4-8.5-178.4-52.283.7175.700112.6K338 E339 F341 P380K338-E382 PolarHBondContact N-O 2.84Å; E339-E382 HydrophobicContact CB-CB 4.22Å; E339-E382 HydrophobicContact CB-CG 4.26Å; F341-E382 HydrophobicContact CB-CB 4.07Å; F341-E382 HydrophobicContact CB-CG 4.02Å; F341-E382 HydrophobicContact CD1-CB 3.69Å; F341-E382 HydrophobicContact CE1-CB 4.38Å; F341-E382 HydrophobicContact CG-CB 3.93Å; F341-E382 HydrophobicContact CG-CG 4.37Å; P380-E382 WeakPolarHBondContact CB-OE2 3.4Å; P380-E382 PolarHBondContact O-N 3.46Å
383V90.1Very high89.9Confident10 Ų1053.4 Ų53.46%0.06128%0.284CS..EExtended strand (participates in β ladder)trans-115.3139.4-174.7-176.20000111.3L335 F341 W369 P380 V381L335-V383 HydrophobicContact CB-CG1 3.87Å; L335-V383 HydrophobicContact CD1-CG1 4.25Å; L335-V383 HydrophobicContact CD2-CG1 4.08Å; L335-V383 HydrophobicContact CG-CG1 4.28Å; F341-V383 HydrophobicContact CD1-CG2 4.35Å; F341-V383 HydrophobicContact CE1-CG2 3.39Å; F341-V383 HydrophobicContact CE2-CG2 4Å; F341-V383 HydrophobicContact CZ-CG2 3.18Å; W369-V383 HydrophobicContact CH2-CG1 4.02Å; W369-V383 HydrophobicContact CH2-CG2 4.03Å; W369-V383 HydrophobicContact CZ2-CG1 4.28Å; W369-V383 HydrophobicContact CZ2-CG2 4.43Å; P380-V383 HydrophobicContact CB-CG2 4.26Å; P380-V383 HydrophobicContact CG-CG2 4.2Å; P380-V383 PolarHBondContact O-N 3.38Å; V381-V383 PolarHBondContact O-N 3.27Å
384E91Very high90Very high38 Ų3853.2 Ų53.218%0.17828%0.279CS..EExtended strand (participates in β ladder)trans-116.8130.4171.9179.5166-121.500111.1L335 R336 K338 I386L335-E384 CarbonylContact C-O 3.53Å; L335-E384 WeakPolarHBondContact CA-O 3.34Å; R336-E384 IonicContact CZ-OE2 2.7Å; R336-E384 PolarHBondContact N-O 3.45Å; R336-E384 IonicContact NE-OE2 2.77Å; R336-E384 PolarHBondContact NE-OE2 3.02Å; R336-E384 IonicContact NH2-OE2 3.25Å; R336-E384 PolarHBondContact NH2-OE2 3.29Å; R336-E384 PolarHBondContact O-N 2.87Å; K338-E384 HydrophobicContact CD-CB 4.21Å; K338-E384 VanDerWaalsContact CE-OE1 3.29Å; K338-E384 WeakPolarHBondContact CE-OE1 3.39Å; K338-E384 WeakPolarHBondContact CE-OE2 3.44Å; K338-E384 HydrophobicContact CG-CB 4.25Å; K338-E384 VanDerWaalsContact NZ-CD 3.28Å; K338-E384 IonicContact NZ-OE1 3.72Å; K338-E384 PolarHBondContact NZ-OE1 3.01Å; K338-E384 IonicContact NZ-OE2 2.84Å; E384-I386 PolarHBondContact O-N 3.27Å
385V90.7Very high89.9Confident33 Ų3353.1 Ų53.120%0.227%0.274CS..EExtended strand (participates in β ladder)trans-79115.3169.5-174.10000108Y325 L333 L335 P379Y325-V385 HydrophobicContact CD2-CG2 4.44Å; Y325-V385 HydrophobicContact CE1-CG1 4.19Å; Y325-V385 HydrophobicContact CE2-CG2 3.81Å; L333-V385 HydrophobicContact CB-CG1 4.48Å; L333-V385 HydrophobicContact CD1-CG1 4.25Å; L333-V385 HydrophobicContact CD1-CG2 4.49Å; L333-V385 HydrophobicContact CD2-CG1 3.77Å; L333-V385 HydrophobicContact CG-CG1 4.38Å; L335-V385 HydrophobicContact CD2-CB 4.31Å; L335-V385 HydrophobicContact CD2-CG1 4.47Å; L335-V385 HydrophobicContact CD2-CG2 3.75Å; P379-V385 HydrophobicContact CB-CG2 4.17Å; P379-V385 HydrophobicContact CG-CG2 4.23Å
386I88.9Confident89.9Confident65 Ų6553.2 Ų53.233%0.33328%0.28SS..EExtended strand (participates in β ladder)trans-87-49.5178.7-63.7177.2000110.4I334 R336 R368 E384I334-I386 HydrophobicContact CG2-CB 4.31Å; I334-I386 HydrophobicContact CG2-CD1 4.46Å; I334-I386 PolarHBondContact O-N 2.78Å; R336-I386 HydrophobicContact CB-CD1 3.37Å; R336-I386 HydrophobicContact CB-CG1 3.86Å; R336-I386 HydrophobicContact CG-CD1 4.22Å; R368-I386 HydrophobicContact CG-CD1 4.37Å; E384-I386 PolarHBondContact O-N 3.27Å
387D88.8Confident89.9Confident63 Ų6352.6 Ų52.634%0.33728%0.279SS..EExtended strand (participates in β ladder)trans-152.2151.7-166.4-165.216.2000111.1I334 R389I334-D387 HydrophobicContact CB-CB 4.16Å; I334-D387 HydrophobicContact CD1-CB 4.2Å; I334-D387 HydrophobicContact CG1-CB 4.44Å; I334-D387 PolarHBondContact N-O 2.67Å; D387-R389 IonicContact OD2-CZ 2.96Å; D387-R389 VanDerWaalsContact OD2-CZ 3.31Å; D387-R389 IonicContact OD2-NE 3.35Å; D387-R389 PolarHBondContact OD2-NE 2.85Å; D387-R389 IonicContact OD2-NH2 3.66Å; D387-R389 PolarHBondContact OD2-NH2 2.95Å
388R91.7Very high89.9Confident122 Ų12255.3 Ų55.346%0.4629%0.293SS..EExtended strand (participates in β ladder)trans-108.2127.5173.6-175176.4-175160.66.6108.3E331 L333E331-R388 IonicContact OE1-CZ 3.75Å; E331-R388 IonicContact OE1-NE 3.97Å; E331-R388 PolarHBondContact OE1-NE 3.45Å; E331-R388 IonicContact OE1-NH2 3.78Å; E331-R388 PolarHBondContact OE1-NH2 2.96Å; E331-R388 IonicContact OE2-CZ 3.99Å; E331-R388 IonicContact OE2-NE 2.9Å; E331-R388 IonicContact OE2-NH2 3.59Å; E331-R388 PolarHBondContact OE2-NH2 2.95Å; L333-R388 HydrophobicContact CD2-CB 3.97Å; L333-R388 HydrophobicContact CD2-CG 4.06Å
389R89.9Confident90Very high51 Ų5154.1 Ų54.119%0.19229%0.287CS..EExtended strand (participates in β ladder)trans-112.2134.5-177.3-67.7-70166.2123.7-5.3109.5E331 G332 I334 M370 D387 M419 L420 E424E331-R389 CarbonylContact C-O 3.58Å; E331-R389 WeakPolarHBondContact CA-O 3.48Å; G332-R389 PolarHBondContact N-O 2.9Å; G332-R389 PolarHBondContact O-N 2.89Å; I334-R389 HydrophobicContact CD1-CG 3.73Å; I334-R389 HydrophobicContact CG1-CG 3.86Å; M370-R389 HydrophobicContact CE-CB 3.82Å; M370-R389 HydrophobicContact CE-CG 3.84Å; D387-R389 IonicContact OD2-CZ 2.96Å; D387-R389 VanDerWaalsContact OD2-CZ 3.31Å; D387-R389 IonicContact OD2-NE 3.35Å; D387-R389 PolarHBondContact OD2-NE 2.85Å; D387-R389 IonicContact OD2-NH2 3.66Å; D387-R389 PolarHBondContact OD2-NH2 2.95Å; R389-M419 HydrophobicContact CB-CG 4.24Å; R389-L420 VanDerWaalsContact NH1-CB 3.34Å; R389-E424 PolarHBondContact NH1-O 3.41Å
390N92.5Very high90.3Very high84 Ų8453.6 Ų53.645%0.44928%0.284SS..EExtended strand (participates in β ladder)trans-115.7150.6173.7-62.2-6.8000108.7D330 I392D330-N390 CarbonylContact O-C 3.55Å; D330-N390 WeakPolarHBondContact O-CA 3.49Å; N390-I392 PolarHBondContact O-N 2.92Å
391V92.3Very high90.6Very high39 Ų3951.8 Ų51.824%0.23627%0.272CS..  trans-62.2130.5170.2177.30000108.6D330 P393 A417 M419D330-V391 HydrophobicContact CB-CB 4.03Å; D330-V391 HydrophobicContact CB-CG2 3.76Å; D330-V391 WeakPolarHBondContact O-CG2 3.28Å; D330-V391 PolarHBondContact O-N 2.8Å; V391-P393 WeakPolarHBondContact O-CD 3.35Å; V391-A417 HydrophobicContact CG1-CB 3.55Å; V391-M419 HydrophobicContact CG2-CB 3.97Å; V391-M419 HydrophobicContact CG2-CE 3.53Å
392I91.8Very high90.9Very high34 Ų3449.6 Ų49.617%0.17426%0.259CS..BIsolated β-bridgetrans-89.5112.5170.9-57.8170.1000106.6N390 L394 I400 A417 Y418 L420 L426N390-I392 PolarHBondContact O-N 2.92Å; I392-L394 HydrophobicContact CG2-CD2 3.88Å; I392-L394 HydrophobicContact CG2-CG 4.26Å; I392-L394 PolarHBondContact O-N 2.91Å; I392-I400 HydrophobicContact CD1-CD1 3.82Å; I392-I400 HydrophobicContact CG2-CG2 4.4Å; I392-A417 WeakPolarHBondContact O-CA 3.2Å; I392-Y418 PolarHBondContact N-O 3.25Å; I392-Y418 PolarHBondContact O-N 3.45Å; I392-L420 HydrophobicContact CD1-CD1 4.32Å; I392-L426 HydrophobicContact CD1-CD2 4.16Å
393P91.5Very high91.1Very high97 Ų9751.2 Ų51.263%0.6326%0.262SS*.  trans-70.6126.8175.729.2-32.9000109.1V391V391-P393 WeakPolarHBondContact O-CD 3.35Å
394L91Very high91.3Very high12 Ų1252 Ų526%0.06327%0.266CS..  trans-126.1119.3177.9-57.6169.6000108.4I392 E398 I400 V413 G415 E416I392-L394 HydrophobicContact CG2-CD2 3.88Å; I392-L394 HydrophobicContact CG2-CG 4.26Å; I392-L394 PolarHBondContact O-N 2.91Å; L394-E398 HydrophobicContact CB-CB 4.49Å; L394-E398 HydrophobicContact CD2-CB 4.29Å; L394-I400 HydrophobicContact CD1-CD1 4.13Å; L394-I400 HydrophobicContact CD1-CG1 3.82Å; L394-I400 HydrophobicContact CD1-CG2 4.48Å; L394-I400 HydrophobicContact CD2-CG2 3.93Å; L394-V413 HydrophobicContact CD1-CG1 4.46Å; L394-G415 CarbonylContact O-C 3.58Å; L394-E416 WeakPolarHBondContact CB-O 3.26Å; L394-E416 WeakPolarHBondContact CD1-O 2.9Å
395D88.7Confident91.1Very high96 Ų9653.7 Ų53.751%0.51328%0.279SS..  trans-74.8166.7170.4-171.520.2000110.6N397 E398 G415D395-N397 PolarHBondContact O-N 3.18Å; D395-E398 HydrophobicContact CB-CG 4.45Å; D395-E398 PolarHBondContact O-N 3.17Å; D395-E398 VanDerWaalsContact O-O 3.06Å; D395-G415 VanDerWaalsContact O-CA 3.27Å; D395-G415 WeakPolarHBondContact O-CA 3.26Å; D395-G415 PolarHBondContact O-N 2.72Å
396C87.7Confident91Very high74 Ų7458.9 Ų58.950%0.530%0.301SS..THydrogen-bonded Turntrans-52.4-24178.759.40000114.6M497C396-M497 WeakPolarHBondContact O-CE 3.38Å
397N86.5Confident91.2Very high73 Ų7360.2 Ų60.239%0.3931%0.312SS..THydrogen-bonded Turntrans-101.21.3179-62.8-43.8000113.5D395 L495D395-N397 PolarHBondContact O-N 3.18Å; N397-L495 HydrophobicContact CB-CD2 3.53Å; N397-L495 WeakPolarHBondContact OD1-CD2 3.42Å
398E89.8Confident91.1Very high82 Ų8259 Ų5938%0.38331%0.314SS..  trans-117150.9-179.3-65.1-169.5-171.700111.2L394 D395 I414 G415 R465L394-E398 HydrophobicContact CB-CB 4.49Å; L394-E398 HydrophobicContact CD2-CB 4.29Å; D395-E398 HydrophobicContact CB-CG 4.45Å; D395-E398 PolarHBondContact O-N 3.17Å; D395-E398 VanDerWaalsContact O-O 3.06Å; E398-I414 WeakPolarHBondContact O-CA 3.42Å; E398-I414 WeakPolarHBondContact O-CG2 3.35Å; E398-G415 PolarHBondContact O-N 2.7Å; E398-G415 VanDerWaalsContact O-N 3.13Å; E398-R465 IonicContact OE2-NH1 2.67Å; E398-R465 PolarHBondContact OE2-NH1 3.23Å
399G91.7Very high91.1Very high2 Ų258.9 Ų58.92%0.02132%0.319CS..EExtended strand (participates in β ladder)trans-157.4169.2173.100000112.6V413 R465 V466G399-V413 CarbonylContact C-O 3.49Å; G399-V413 WeakPolarHBondContact CA-O 2.98Å; G399-R465 CarbonylContact O-C 3.47Å; G399-R465 WeakPolarHBondContact O-CA 3.39Å; G399-V466 VanDerWaalsContact C-CG2 3.44Å; G399-V466 PolarHBondContact O-N 3.24Å
400I94.8Very high91.2Very high3 Ų358.1 Ų58.12%0.01532%0.32CS..EExtended strand (participates in β ladder)trans-127.1149.8174.356.8178.7000110.5I392 L394 V402 A412 V413 Y418 L426 R465I392-I400 HydrophobicContact CD1-CD1 3.82Å; I392-I400 HydrophobicContact CG2-CG2 4.4Å; L394-I400 HydrophobicContact CD1-CD1 4.13Å; L394-I400 HydrophobicContact CD1-CG1 3.82Å; L394-I400 HydrophobicContact CD1-CG2 4.48Å; L394-I400 HydrophobicContact CD2-CG2 3.93Å; I400-V402 HydrophobicContact CD1-CG2 3.9Å; I400-V402 HydrophobicContact CG1-CG2 3.85Å; I400-A412 WeakPolarHBondContact O-CA 3.33Å; I400-V413 HydrophobicContact CG1-CB 4.38Å; I400-V413 PolarHBondContact N-O 3.46Å; I400-V413 PolarHBondContact O-N 2.89Å; I400-Y418 HydrophobicContact CD1-CD1 4.29Å; I400-L426 HydrophobicContact CB-CD2 3.97Å; I400-L426 HydrophobicContact CD1-CD2 3.9Å; I400-L426 HydrophobicContact CG1-CD2 4.4Å; I400-L426 HydrophobicContact CG2-CD2 4.24Å; I400-R465 HydrophobicContact CG2-CG 4.36Å
401Y96.1Very high91.2Very high0 Ų057.9 Ų57.90%031%0.313CS..EExtended strand (participates in β ladder)trans-87.4123.4167.7-60.4-66.5000109.9R411 A412 L426 W427 K429 T464 R465 V466 V467 L498 P500Y401-R411 WeakPolarHBondContact CA-O 3.33Å; Y401-A412 HydrophobicContact CD1-CB 4.11Å; Y401-A412 HydrophobicContact CE1-CB 4.12Å; Y401-L426 WeakPolarHBondContact O-CA 3.43Å; Y401-W427 WeakPolarHBondContact CB-O 3.11Å; Y401-W427 HydrophobicContact CD2-CE3 4.29Å; Y401-W427 AromaticContact CG-CE3 3.98Å; Y401-W427 HydrophobicContact CG-CE3 3.98Å; Y401-W427 HydrophobicContact CG-CZ3 4.44Å; Y401-W427 PolarHBondContact O-N 3.03Å; Y401-K429 HydrophobicContact CD2-CB 3.93Å; Y401-K429 HydrophobicContact CE1-CD 4.48Å; Y401-K429 HydrophobicContact CE2-CB 3.61Å; Y401-K429 HydrophobicContact CE2-CD 3.66Å; Y401-K429 HydrophobicContact CE2-CG 4.26Å; Y401-K429 WeakPolarHBondContact OH-CD 3.24Å; Y401-T464 PolarHBondContact N-O 2.92Å; Y401-R465 WeakPolarHBondContact CE2-O 3.41Å; Y401-V466 HydrophobicContact CD1-CG2 4.27Å; Y401-V466 HydrophobicContact CE1-CG2 3.98Å; Y401-V467 PolarHBondContact OH-N 3.24Å; Y401-L498 PolarHBondContact OH-O 3.03Å; Y401-P500 HydrophobicContact CD1-CB 4.4Å; Y401-P500 HydrophobicContact CD1-CG 4Å; Y401-P500 HydrophobicContact CE1-CG 4.26Å
402V94Very high91.2Very high0 Ų057.6 Ų57.60%032%0.315CS..EExtended strand (participates in β ladder)trans-113.1127.2-179.4-176.80000109I400 V410 R411 V413 Y418 L420 E424I400-V402 HydrophobicContact CD1-CG2 3.9Å; I400-V402 HydrophobicContact CG1-CG2 3.85Å; V402-V410 WeakPolarHBondContact O-CA 3.5Å; V402-R411 PolarHBondContact N-O 3.41Å; V402-R411 PolarHBondContact O-N 3.27Å; V402-V413 HydrophobicContact CG2-CB 4.48Å; V402-V413 HydrophobicContact CG2-CG2 3.87Å; V402-Y418 HydrophobicContact CG2-CD1 4.44Å; V402-Y418 HydrophobicContact CG2-CE1 4.25Å; V402-L420 HydrophobicContact CB-CD2 4.3Å; V402-L420 HydrophobicContact CG1-CD2 3.65Å; V402-L420 HydrophobicContact CG2-CD2 3.78Å; V402-E424 HydrophobicContact CG1-CB 3.84Å; V402-E424 HydrophobicContact CG1-CG 3.7Å
403R94.5Very high91.2Very high98 Ų9856.4 Ų56.437%0.3731%0.309SS..EExtended strand (participates in β ladder)trans-108127.9171.9177.2173.9-178.6-140.67.9110.1Q409 V410 E424 E425 W427R403-Q409 WeakPolarHBondContact CA-O 3.5Å; R403-V410 HydrophobicContact CB-CG2 4.09Å; R403-V410 HydrophobicContact CG-CG2 4.09Å; R403-E424 WeakPolarHBondContact O-CA 3.37Å; R403-E425 HydrophobicContact CB-CG 4.05Å; R403-E425 WeakPolarHBondContact CD-OE1 3.48Å; R403-E425 HydrophobicContact CG-CG 4.49Å; R403-E425 IonicContact CZ-OE1 3.14Å; R403-E425 PolarHBondContact N-O 3.45Å; R403-E425 IonicContact NE-OE1 2.66Å; R403-E425 IonicContact NH1-OE1 2.69Å; R403-E425 PolarHBondContact NH1-OE1 3.44Å; R403-E425 PolarHBondContact O-N 3.27Å; R403-W427 HydrophobicContact CB-CB 3.92Å; R403-W427 HydrophobicContact CB-CG 4.39Å
404N92.6Very high91.2Very high27 Ų2755 Ų5514%0.14430%0.295CS..EExtended strand (participates in β ladder)trans-79120.3168.2-174.7-56.7000109.1Q406 T407 G408 Q409 D423N404-Q406 VanDerWaalsContact C-N 3.3Å; N404-Q406 PolarHBondContact O-N 3.46Å; N404-Q406 WeakPolarHBondContact OD1-CA 3.48Å; N404-Q406 WeakPolarHBondContact OD1-CB 3.31Å; N404-Q406 PolarHBondContact OD1-N 2.98Å; N404-T407 WeakPolarHBondContact CB-OG1 3.47Å; N404-T407 PolarHBondContact OD1-N 3.45Å; N404-G408 WeakPolarHBondContact O-CA 3.3Å; N404-G408 PolarHBondContact O-N 3.45Å; N404-Q409 PolarHBondContact N-O 3.26Å; N404-D423 CarbonylContact C-O 3.54Å; N404-D423 WeakPolarHBondContact CA-O 3.4Å
405T88.5Confident91Very high72 Ų7256.2 Ų56.244%0.44231%0.311SS..THydrogen-bonded Turntrans-71.5-21.1-177.458.40000113.4D423 E425T405-D423 PolarHBondContact N-O 3.07Å; T405-D423 VanDerWaalsContact OG1-C 3.26Å; T405-D423 WeakPolarHBondContact OG1-CA 3.48Å; T405-D423 PolarHBondContact OG1-O 3.35Å; T405-E425 HydrophobicContact CG2-CB 4.26Å; T405-E425 HydrophobicContact CG2-CG 3.87Å
406Q88.4Confident91.1Very high142 Ų14257 Ų5766%0.66431%0.312SS*.THydrogen-bonded Turntrans-83.9-48.3174.4-62.1-174.22.700112.2N404 D423N404-Q406 VanDerWaalsContact C-N 3.3Å; N404-Q406 PolarHBondContact O-N 3.46Å; N404-Q406 WeakPolarHBondContact OD1-CA 3.48Å; N404-Q406 WeakPolarHBondContact OD1-CB 3.31Å; N404-Q406 PolarHBondContact OD1-N 2.98Å; Q406-D423 HydrophobicContact CG-CB 4.13Å; Q406-D423 PolarHBondContact NE2-OD1 3.34Å; Q406-D423 PolarHBondContact NE2-OD2 2.98Å; Q406-D423 VanDerWaalsContact NE2-OD2 3.15Å
407T91.8Very high91.1Very high94 Ų9456.8 Ų56.858%0.57732%0.315SS*.THydrogen-bonded Turntrans-92.9-17.2-174.868.20000113.5N404 Q409N404-T407 WeakPolarHBondContact CB-OG1 3.47Å; N404-T407 PolarHBondContact OD1-N 3.45Å; T407-Q409 PolarHBondContact O-N 3.32Å; T407-Q409 WeakPolarHBondContact OG1-CB 3.32Å; T407-Q409 PolarHBondContact OG1-N 3.02Å
408G88.2Confident91.3Very high36 Ų3655.2 Ų55.237%0.37130%0.304SS..  trans72.30.3-172.200000114.4N404 V410N404-G408 WeakPolarHBondContact O-CA 3.3Å; N404-G408 PolarHBondContact O-N 3.45Å; G408-V410 PolarHBondContact O-N 3.47Å
409Q91.2Very high91.3Very high121 Ų12151.9 Ų51.957%0.56529%0.289SS*.  trans-69.1128.4-177.5-174.3178.45.300111R403 N404 T407R403-Q409 WeakPolarHBondContact CA-O 3.5Å; N404-Q409 PolarHBondContact N-O 3.26Å; T407-Q409 PolarHBondContact O-N 3.32Å; T407-Q409 WeakPolarHBondContact OG1-CB 3.32Å; T407-Q409 PolarHBondContact OG1-N 3.02Å
410V92.4Very high91.3Very high35 Ų3552.4 Ų52.421%0.21229%0.291CS..EExtended strand (participates in β ladder)trans-104.8134.8175.1-170.70000109.6V402 R403 G408 W427 P500V402-V410 WeakPolarHBondContact O-CA 3.5Å; R403-V410 HydrophobicContact CB-CG2 4.09Å; R403-V410 HydrophobicContact CG-CG2 4.09Å; G408-V410 PolarHBondContact O-N 3.47Å; V410-W427 HydrophobicContact CG1-CB 4.07Å; V410-W427 HydrophobicContact CG1-CD2 3.73Å; V410-W427 HydrophobicContact CG1-CE3 3.75Å; V410-W427 HydrophobicContact CG1-CG 3.88Å; V410-W427 HydrophobicContact CG1-CZ3 4.39Å; V410-W427 HydrophobicContact CG2-CD2 4.31Å; V410-W427 HydrophobicContact CG2-CG 4.15Å; V410-P500 HydrophobicContact CB-CB 4.22Å; V410-P500 HydrophobicContact CB-CG 4.44Å; V410-P500 HydrophobicContact CG1-CB 3.78Å; V410-P500 HydrophobicContact CG1-CG 3.93Å
411R91.3Very high91.1Very high78 Ų7854 Ų5429%0.29430%0.3SS..EExtended strand (participates in β ladder)trans-140.1158.7174.866.7-176.5-176.1-83.73.6110.9Y401 V402 V413 Y418 E424Y401-R411 WeakPolarHBondContact CA-O 3.33Å; V402-R411 PolarHBondContact N-O 3.41Å; V402-R411 PolarHBondContact O-N 3.27Å; R411-V413 HydrophobicContact CG-CG2 4.45Å; R411-Y418 PolarHBondContact NH2-OH 2.96Å; R411-E424 IonicContact CZ-OE1 3.7Å; R411-E424 IonicContact NH1-OE1 3.86Å; R411-E424 PolarHBondContact NH1-OE1 2.94Å; R411-E424 IonicContact NH2-OE1 2.75Å; R411-E424 PolarHBondContact NH2-OE1 2.85Å; R411-E424 IonicContact NH2-OE2 2.74Å
412A92.4Very high90.6Very high34 Ų3456.5 Ų56.528%0.28131%0.311SS..EExtended strand (participates in β ladder)trans-93.5133168.100000109I400 Y401 I414 V466I400-A412 WeakPolarHBondContact O-CA 3.33Å; Y401-A412 HydrophobicContact CD1-CB 4.11Å; Y401-A412 HydrophobicContact CE1-CB 4.12Å; A412-I414 HydrophobicContact CB-CD1 4.32Å; A412-I414 HydrophobicContact CB-CG1 4.4Å; A412-V466 HydrophobicContact CB-CG2 3.78Å
413V92.2Very high90.5Very high9 Ų957.9 Ų57.96%0.05532%0.319CS..EExtended strand (participates in β ladder)trans-111.3126.5170.2179.80000107.1L394 G399 I400 V402 R411 E416 Y418L394-V413 HydrophobicContact CD1-CG1 4.46Å; G399-V413 CarbonylContact C-O 3.49Å; G399-V413 WeakPolarHBondContact CA-O 2.98Å; I400-V413 HydrophobicContact CG1-CB 4.38Å; I400-V413 PolarHBondContact N-O 3.46Å; I400-V413 PolarHBondContact O-N 2.89Å; V402-V413 HydrophobicContact CG2-CB 4.48Å; V402-V413 HydrophobicContact CG2-CG2 3.87Å; R411-V413 HydrophobicContact CG-CG2 4.45Å; V413-E416 HydrophobicContact CG1-CG 3.8Å; V413-E416 WeakPolarHBondContact CG1-OE1 3.2Å; V413-Y418 HydrophobicContact CG1-CD2 3.67Å; V413-Y418 HydrophobicContact CG1-CE2 4.31Å; V413-Y418 HydrophobicContact CG1-CG 3.89Å; V413-Y418 HydrophobicContact CG2-CD2 4.42Å; V413-Y418 HydrophobicContact CG2-CE2 4.33Å
414I91.3Very high90.4Very high67 Ų6753.6 Ų53.634%0.34430%0.303SS..EExtended strand (participates in β ladder)trans-135.6137.1-167.8-58.5168.6000108.8E398 A412 E416 V466 M497E398-I414 WeakPolarHBondContact O-CA 3.42Å; E398-I414 WeakPolarHBondContact O-CG2 3.35Å; A412-I414 HydrophobicContact CB-CD1 4.32Å; A412-I414 HydrophobicContact CB-CG1 4.4Å; I414-E416 VanDerWaalsContact C-N 3.3Å; I414-E416 PolarHBondContact O-N 2.82Å; I414-V466 HydrophobicContact CG1-CG2 4.29Å; I414-M497 HydrophobicContact CD1-CB 4.44Å; I414-M497 HydrophobicContact CD1-SD 4Å; I414-M497 HydrophobicContact CG1-SD 4.46Å; I414-M497 HydrophobicContact CG2-CE 4.01Å; I414-M497 HydrophobicContact CG2-SD 3.63Å
415G87.6Confident90.4Very high38 Ų3855.9 Ų55.939%0.39231%0.312SS..SBendtrans758.8167.300000117.2L394 D395 E398L394-G415 CarbonylContact O-C 3.58Å; D395-G415 VanDerWaalsContact O-CA 3.27Å; D395-G415 WeakPolarHBondContact O-CA 3.26Å; D395-G415 PolarHBondContact O-N 2.72Å; E398-G415 PolarHBondContact O-N 2.7Å; E398-G415 VanDerWaalsContact O-N 3.13Å
416E89.3Confident90.6Very high112 Ų11255.6 Ų55.652%0.52331%0.308SS..SBendtrans-137140.6177.563-179.2-176.400111.2L394 V413 I414 Y418L394-E416 WeakPolarHBondContact CB-O 3.26Å; L394-E416 WeakPolarHBondContact CD1-O 2.9Å; V413-E416 HydrophobicContact CG1-CG 3.8Å; V413-E416 WeakPolarHBondContact CG1-OE1 3.2Å; I414-E416 VanDerWaalsContact C-N 3.3Å; I414-E416 PolarHBondContact O-N 2.82Å; E416-Y418 PolarHBondContact O-N 3.16Å
417A87.8Confident90.9Very high70 Ų7052.1 Ų52.158%0.57929%0.289SS*.  trans-65.7118.117700000109.5V391 I392V391-A417 HydrophobicContact CG1-CB 3.55Å; I392-A417 WeakPolarHBondContact O-CA 3.2Å
418Y90.9Very high91Very high40 Ų4053.4 Ų53.416%0.15729%0.288CS..BIsolated β-bridgetrans-123.1129.1-167.3-163.1-93.6000112.2I392 I400 V402 R411 V413 E416 L420 E424I392-Y418 PolarHBondContact N-O 3.25Å; I392-Y418 PolarHBondContact O-N 3.45Å; I400-Y418 HydrophobicContact CD1-CD1 4.29Å; V402-Y418 HydrophobicContact CG2-CD1 4.44Å; V402-Y418 HydrophobicContact CG2-CE1 4.25Å; R411-Y418 PolarHBondContact NH2-OH 2.96Å; V413-Y418 HydrophobicContact CG1-CD2 3.67Å; V413-Y418 HydrophobicContact CG1-CE2 4.31Å; V413-Y418 HydrophobicContact CG1-CG 3.89Å; V413-Y418 HydrophobicContact CG2-CD2 4.42Å; V413-Y418 HydrophobicContact CG2-CE2 4.33Å; E416-Y418 PolarHBondContact O-N 3.16Å; Y418-L420 HydrophobicContact CD1-CD2 4.32Å; Y418-L420 HydrophobicContact CE1-CD2 4.15Å; Y418-E424 WeakPolarHBondContact CE1-OE2 3.21Å; Y418-E424 PolarHBondContact OH-OE1 2.98Å; Y418-E424 PolarHBondContact OH-OE2 2.67Å
419M90.6Very high91.2Very high12 Ų1252.3 Ų52.36%0.05927%0.273CS..  trans-109.6115.5173-173.5-168.7-6900109.5D330 M370 R389 V391 N421D330-M419 VanDerWaalsContact O-CE 3.26Å; D330-M419 WeakPolarHBondContact O-CE 3.35Å; M370-M419 HydrophobicContact CE-CG 4.04Å; M370-M419 HydrophobicContact CE-SD 3.88Å; M370-M419 HydrophobicContact SD-CG 4.33Å; M370-M419 HydrophobicContact SD-SD 3.68Å; M370-M419 VanDerWaalsContact SD-SD 3.68Å; R389-M419 HydrophobicContact CB-CG 4.24Å; V391-M419 HydrophobicContact CG2-CB 3.97Å; V391-M419 HydrophobicContact CG2-CE 3.53Å; M419-N421 PolarHBondContact O-N 2.85Å
420L91.6Very high91.1Very high13 Ų1354.8 Ų54.87%0.06828%0.282CS..  trans-60.8122.2178.7-63.8166.1000110.7M370 R389 I392 V402 Y418 E424 L426M370-L420 WeakPolarHBondContact CE-O 3.44Å; R389-L420 VanDerWaalsContact NH1-CB 3.34Å; I392-L420 HydrophobicContact CD1-CD1 4.32Å; V402-L420 HydrophobicContact CB-CD2 4.3Å; V402-L420 HydrophobicContact CG1-CD2 3.65Å; V402-L420 HydrophobicContact CG2-CD2 3.78Å; Y418-L420 HydrophobicContact CD1-CD2 4.32Å; Y418-L420 HydrophobicContact CE1-CD2 4.15Å; L420-E424 HydrophobicContact CB-CB 4.18Å; L420-E424 HydrophobicContact CD2-CB 4.04Å; L420-L426 HydrophobicContact CD1-CD2 3.96Å; L420-L426 HydrophobicContact CD1-CG 3.81Å; L420-L426 HydrophobicContact CD2-CD2 4.43Å
421N89.3Confident90.9Very high37 Ų3754.5 Ų54.520%0.19828%0.279CS..  trans-70.8179.6177.869.835.3000112.8M419 D423 E424M419-N421 PolarHBondContact O-N 2.85Å; N421-D423 PolarHBondContact O-N 3.3Å; N421-D423 VanDerWaalsContact O-N 3.12Å; N421-D423 WeakPolarHBondContact OD1-CA 3.38Å; N421-D423 PolarHBondContact OD1-N 2.87Å; N421-E424 VanDerWaalsContact CG-CD 3.42Å; N421-E424 PolarHBondContact N-OE2 3.22Å; N421-E424 PolarHBondContact ND2-OE1 2.9Å; N421-E424 VanDerWaalsContact ND2-OE1 3.16Å; N421-E424 PolarHBondContact ND2-OE2 3.05Å; N421-E424 PolarHBondContact O-N 2.88Å; N421-E424 VanDerWaalsContact O-N 3.11Å; N421-E424 WeakPolarHBondContact OD1-CB 3.47Å; N421-E424 WeakPolarHBondContact OD1-CG 3.49Å; N421-E424 PolarHBondContact OD1-N 3.13Å; N421-E424 VanDerWaalsContact OD1-N 3.08Å
422Q87.3Confident90.8Very high51 Ų5153.6 Ų53.624%0.23828%0.284CS..THydrogen-bonded Turntrans-62.4-19.5-177.971.4-78.4-12.400114.9I334 R368I334-Q422 HydrophobicContact CG2-CB 4.21Å; R368-Q422 HydrophobicContact CB-CB 4.35Å; R368-Q422 HydrophobicContact CB-CG 4.35Å
423D90.4Very high90.5Very high30 Ų3056 Ų5616%0.1630%0.298CS..THydrogen-bonded Turntrans-10710.7-178-61.1-57.3000111.4N404 T405 Q406 N421N404-D423 CarbonylContact C-O 3.54Å; N404-D423 WeakPolarHBondContact CA-O 3.4Å; T405-D423 PolarHBondContact N-O 3.07Å; T405-D423 VanDerWaalsContact OG1-C 3.26Å; T405-D423 WeakPolarHBondContact OG1-CA 3.48Å; T405-D423 PolarHBondContact OG1-O 3.35Å; Q406-D423 HydrophobicContact CG-CB 4.13Å; Q406-D423 PolarHBondContact NE2-OD1 3.34Å; Q406-D423 PolarHBondContact NE2-OD2 2.98Å; Q406-D423 VanDerWaalsContact NE2-OD2 3.15Å; N421-D423 PolarHBondContact O-N 3.3Å; N421-D423 VanDerWaalsContact O-N 3.12Å; N421-D423 WeakPolarHBondContact OD1-CA 3.38Å; N421-D423 PolarHBondContact OD1-N 2.87Å
424E92.6Very high90.1Very high8 Ų858.7 Ų58.74%0.03731%0.31CS..EExtended strand (participates in β ladder)trans-120.9138.9-175-78.6172.4176.900112.9R389 V402 R403 R411 Y418 L420 N421R389-E424 PolarHBondContact NH1-O 3.41Å; V402-E424 HydrophobicContact CG1-CB 3.84Å; V402-E424 HydrophobicContact CG1-CG 3.7Å; R403-E424 WeakPolarHBondContact O-CA 3.37Å; R411-E424 IonicContact CZ-OE1 3.7Å; R411-E424 IonicContact NH1-OE1 3.86Å; R411-E424 PolarHBondContact NH1-OE1 2.94Å; R411-E424 IonicContact NH2-OE1 2.75Å; R411-E424 PolarHBondContact NH2-OE1 2.85Å; R411-E424 IonicContact NH2-OE2 2.74Å; Y418-E424 WeakPolarHBondContact CE1-OE2 3.21Å; Y418-E424 PolarHBondContact OH-OE1 2.98Å; Y418-E424 PolarHBondContact OH-OE2 2.67Å; L420-E424 HydrophobicContact CB-CB 4.18Å; L420-E424 HydrophobicContact CD2-CB 4.04Å; N421-E424 VanDerWaalsContact CG-CD 3.42Å; N421-E424 PolarHBondContact N-OE2 3.22Å; N421-E424 PolarHBondContact ND2-OE1 2.9Å; N421-E424 VanDerWaalsContact ND2-OE1 3.16Å; N421-E424 PolarHBondContact ND2-OE2 3.05Å; N421-E424 PolarHBondContact O-N 2.88Å; N421-E424 VanDerWaalsContact O-N 3.11Å; N421-E424 WeakPolarHBondContact OD1-CB 3.47Å; N421-E424 WeakPolarHBondContact OD1-CG 3.49Å; N421-E424 PolarHBondContact OD1-N 3.13Å; N421-E424 VanDerWaalsContact OD1-N 3.08Å
425E92.6Very high89.9Confident74 Ų7455.9 Ų55.935%0.34630%0.296SS..EExtended strand (participates in β ladder)trans-132.1156.5175.167.9-177.1-175.600111R403 T405R403-E425 HydrophobicContact CB-CG 4.05Å; R403-E425 WeakPolarHBondContact CD-OE1 3.48Å; R403-E425 HydrophobicContact CG-CG 4.49Å; R403-E425 IonicContact CZ-OE1 3.14Å; R403-E425 PolarHBondContact N-O 3.45Å; R403-E425 IonicContact NE-OE1 2.66Å; R403-E425 IonicContact NH1-OE1 2.69Å; R403-E425 PolarHBondContact NH1-OE1 3.44Å; R403-E425 PolarHBondContact O-N 3.27Å; T405-E425 HydrophobicContact CG2-CB 4.26Å; T405-E425 HydrophobicContact CG2-CG 3.87Å
426L94Very high89.8Confident67 Ų6755.6 Ų55.635%0.35129%0.287SS..EExtended strand (participates in β ladder)trans-69.9133.7169.5-68.1176.7000109.5I392 I400 Y401 L420 T464I392-L426 HydrophobicContact CD1-CD2 4.16Å; I400-L426 HydrophobicContact CB-CD2 3.97Å; I400-L426 HydrophobicContact CD1-CD2 3.9Å; I400-L426 HydrophobicContact CG1-CD2 4.4Å; I400-L426 HydrophobicContact CG2-CD2 4.24Å; Y401-L426 WeakPolarHBondContact O-CA 3.43Å; L420-L426 HydrophobicContact CD1-CD2 3.96Å; L420-L426 HydrophobicContact CD1-CG 3.81Å; L420-L426 HydrophobicContact CD2-CD2 4.43Å; L426-T464 HydrophobicContact CB-CG2 3.97Å
427W94.7Very high89.5Confident69 Ų6955.6 Ų55.626%0.26129%0.287SS..  trans-107.4130.4179.8-178.178.1000111.7Y401 R403 V410 K429 T464 P500Y401-W427 WeakPolarHBondContact CB-O 3.11Å; Y401-W427 HydrophobicContact CD2-CE3 4.29Å; Y401-W427 AromaticContact CG-CE3 3.98Å; Y401-W427 HydrophobicContact CG-CE3 3.98Å; Y401-W427 HydrophobicContact CG-CZ3 4.44Å; Y401-W427 PolarHBondContact O-N 3.03Å; R403-W427 HydrophobicContact CB-CB 3.92Å; R403-W427 HydrophobicContact CB-CG 4.39Å; V410-W427 HydrophobicContact CG1-CB 4.07Å; V410-W427 HydrophobicContact CG1-CD2 3.73Å; V410-W427 HydrophobicContact CG1-CE3 3.75Å; V410-W427 HydrophobicContact CG1-CG 3.88Å; V410-W427 HydrophobicContact CG1-CZ3 4.39Å; V410-W427 HydrophobicContact CG2-CD2 4.31Å; V410-W427 HydrophobicContact CG2-CG 4.15Å; W427-K429 HydrophobicContact CE3-CB 4.15Å; W427-K429 HydrophobicContact CH2-CB 4.22Å; W427-K429 HydrophobicContact CH2-CG 4.22Å; W427-K429 HydrophobicContact CZ3-CB 3.54Å; W427-K429 HydrophobicContact CZ3-CG 3.84Å; W427-T464 WeakPolarHBondContact O-CA 3.04Å; W427-P500 HydrophobicContact CZ3-CB 4.35Å
428E92.7Very high89.3Confident120 Ų12053.9 Ų53.956%0.56127%0.268SS*.PPolyproline II helixtrans-85.7116.2179.1-65.5-180-177.100111.6K430 P463 T464E428-K430 PolarHBondContact O-N 3.36Å; E428-P463 HydrophobicContact CB-CB 4.09Å; E428-P463 HydrophobicContact CB-CG 4.32Å; E428-P463 HydrophobicContact CG-CB 4.35Å; E428-P463 HydrophobicContact CG-CG 4.05Å; E428-T464 HydrophobicContact CG-CG2 3.8Å
429K92.1Very high89Confident13 Ų1353.2 Ų53.26%0.05727%0.267CS..PPolyproline II helixtrans-76.3123.8174.9-173.7177.3-179.382.60111.3Y401 W427 L431 P463 V467 G499 P500 E502Y401-K429 HydrophobicContact CD2-CB 3.93Å; Y401-K429 HydrophobicContact CE1-CD 4.48Å; Y401-K429 HydrophobicContact CE2-CB 3.61Å; Y401-K429 HydrophobicContact CE2-CD 3.66Å; Y401-K429 HydrophobicContact CE2-CG 4.26Å; Y401-K429 WeakPolarHBondContact OH-CD 3.24Å; W427-K429 HydrophobicContact CE3-CB 4.15Å; W427-K429 HydrophobicContact CH2-CB 4.22Å; W427-K429 HydrophobicContact CH2-CG 4.22Å; W427-K429 HydrophobicContact CZ3-CB 3.54Å; W427-K429 HydrophobicContact CZ3-CG 3.84Å; K429-L431 HydrophobicContact CD-CD2 4.41Å; K429-L431 HydrophobicContact CD-CG 4.43Å; K429-L431 HydrophobicContact CG-CG 4.39Å; K429-P463 PolarHBondContact N-O 2.97Å; K429-V467 HydrophobicContact CD-CG2 4.15Å; K429-G499 PolarHBondContact NZ-O 3.44Å; K429-P500 VanDerWaalsContact NZ-C 3.33Å; K429-P500 PolarHBondContact NZ-O 3.3Å; K429-E502 WeakPolarHBondContact CE-O 3.46Å; K429-E502 PolarHBondContact NZ-O 2.86Å
430K89.6Confident88.6Confident174 Ų17455.4 Ų55.476%0.75728%0.277SS*.PPolyproline II helixtrans-89.2116.4174.4-62.9-173.1179.1-177.10110.8E428E428-K430 PolarHBondContact O-N 3.36Å
431L88.6Confident87.5Confident28 Ų2855.9 Ų55.915%0.14728%0.281CS..  trans-112.8150.5173.3-71.5176.6000110.8K429 V436 L439 L461 V467 L498 Q503K429-L431 HydrophobicContact CD-CD2 4.41Å; K429-L431 HydrophobicContact CD-CG 4.43Å; K429-L431 HydrophobicContact CG-CG 4.39Å; L431-V436 HydrophobicContact CB-CG2 3.69Å; L431-L439 HydrophobicContact CD1-CD1 3.99Å; L431-L461 HydrophobicContact CD1-CD2 4.25Å; L431-V467 HydrophobicContact CD1-CB 4.44Å; L431-V467 HydrophobicContact CD1-CG1 4.05Å; L431-V467 HydrophobicContact CD1-CG2 3.89Å; L431-L498 HydrophobicContact CD2-CD1 4.48Å; L431-Q503 HydrophobicContact CD2-CB 4.47Å; L431-Q503 HydrophobicContact CD2-CG 4Å
432P89.3Confident86.2Confident60 Ų6060.6 Ų60.639%0.3931%0.306SS..  trans-57.9140170.3-22.533.4000111.3E434 V435 V436P432-E434 PolarHBondContact O-N 3.15Å; P432-E434 VanDerWaalsContact O-N 3.16Å; P432-V435 HydrophobicContact CB-CG2 4.27Å; P432-V435 HydrophobicContact CG-CG2 4.38Å; P432-V435 WeakPolarHBondContact O-CB 3.29Å; P432-V435 PolarHBondContact O-N 3.08Å; P432-V436 PolarHBondContact O-N 3.13Å; P432-V436 VanDerWaalsContact O-N 3.13Å
433S86Confident85Confident84 Ų8461.5 Ų61.559%0.58731%0.312SS*.Hα-helixtrans-55.9-36.4-175.752.80000113.5V435 V436 Q437S433-V435 VanDerWaalsContact C-N 3.32Å; S433-V435 PolarHBondContact O-N 3.11Å; S433-V436 PolarHBondContact O-N 3.37Å; S433-Q437 VanDerWaalsContact O-CG 3.29Å; S433-Q437 WeakPolarHBondContact O-CG 3.2Å; S433-Q437 PolarHBondContact O-N 2.99Å
434E84.1Confident83.7Confident65 Ų6563.4 Ų63.430%0.30432%0.323SS..Hα-helixtrans-67.4-31.9177.8-60-177.9119.600112.9P432 L438 R506 K521P432-E434 PolarHBondContact O-N 3.15Å; P432-E434 VanDerWaalsContact O-N 3.16Å; E434-L438 VanDerWaalsContact O-CG 3.31Å; E434-L438 WeakPolarHBondContact O-CG 3.26Å; E434-L438 PolarHBondContact O-N 2.77Å; E434-R506 IonicContact OE1-NH1 3.24Å; E434-R506 PolarHBondContact OE1-NH1 3.48Å; E434-R506 IonicContact OE2-CZ 3.78Å; E434-R506 IonicContact OE2-NH1 3.17Å; E434-R506 PolarHBondContact OE2-NH1 3.25Å; E434-R506 IonicContact OE2-NH2 3.88Å; E434-K521 IonicContact OE1-NZ 2.7Å; E434-K521 PolarHBondContact OE1-NZ 2.69Å
435V86.7Confident82.2Confident8 Ų864.2 Ų64.25%0.04833%0.328CS..Hα-helixtrans-74-41.7176.4175.90000109.7P432 S433 Q437 L438 L439 F504 L523P432-V435 HydrophobicContact CB-CG2 4.27Å; P432-V435 HydrophobicContact CG-CG2 4.38Å; P432-V435 WeakPolarHBondContact O-CB 3.29Å; P432-V435 PolarHBondContact O-N 3.08Å; S433-V435 VanDerWaalsContact C-N 3.32Å; S433-V435 PolarHBondContact O-N 3.11Å; V435-Q437 VanDerWaalsContact C-N 3.32Å; V435-Q437 PolarHBondContact O-N 2.87Å; V435-L438 PolarHBondContact O-N 2.9Å; V435-L439 HydrophobicContact CG1-CD1 4.04Å; V435-L439 HydrophobicContact CG1-CG 4.44Å; V435-L439 WeakPolarHBondContact O-CG 3.25Å; V435-L439 PolarHBondContact O-N 3.12Å; V435-F504 HydrophobicContact CG1-CB 4.39Å; V435-F504 HydrophobicContact CG1-CD2 4.38Å; V435-L523 HydrophobicContact CG1-CD1 4.4Å; V435-L523 HydrophobicContact CG1-CD2 4.12Å; V435-L523 HydrophobicContact CG2-CD2 4.4Å
436V86.6Confident80.7Confident33 Ų3365.9 Ų65.920%0.234%0.335CS..Hα-helixtrans-58.4-46.7174.8178.90000110.4L431 P432 S433 L438 L439 E440L431-V436 HydrophobicContact CB-CG2 3.69Å; P432-V436 PolarHBondContact O-N 3.13Å; P432-V436 VanDerWaalsContact O-N 3.13Å; S433-V436 PolarHBondContact O-N 3.37Å; V436-L438 VanDerWaalsContact C-N 3.32Å; V436-L438 PolarHBondContact O-N 3.36Å; V436-L439 PolarHBondContact O-N 2.75Å; V436-L439 VanDerWaalsContact O-N 3.12Å; V436-E440 HydrophobicContact CG1-CG 4.12Å; V436-E440 WeakPolarHBondContact O-CB 3.32Å; V436-E440 WeakPolarHBondContact O-CG 3.44Å; V436-E440 PolarHBondContact O-N 3.32Å
437Q83.1Confident78.9Confident111 Ų11166.1 Ų66.152%0.51935%0.346SS..Hα-helixtrans-57.4-42.6176-75.1172.54.100112.7S433 V435 S441S433-Q437 VanDerWaalsContact O-CG 3.29Å; S433-Q437 WeakPolarHBondContact O-CG 3.2Å; S433-Q437 PolarHBondContact O-N 2.99Å; V435-Q437 VanDerWaalsContact C-N 3.32Å; V435-Q437 PolarHBondContact O-N 2.87Å; Q437-S441 WeakPolarHBondContact O-CB 3.46Å; Q437-S441 PolarHBondContact O-N 3.19Å; Q437-S441 PolarHBondContact O-OG 2.9Å
438L83.3Confident77.1Confident35 Ų3565.5 Ų65.518%0.18335%0.348CS..Hα-helixtrans-68-35.8178.2-70.3171.2000112.3E434 V435 V436 S441 R506 K521 L523E434-L438 VanDerWaalsContact O-CG 3.31Å; E434-L438 WeakPolarHBondContact O-CG 3.26Å; E434-L438 PolarHBondContact O-N 2.77Å; V435-L438 PolarHBondContact O-N 2.9Å; V436-L438 VanDerWaalsContact C-N 3.32Å; V436-L438 PolarHBondContact O-N 3.36Å; L438-S441 PolarHBondContact O-OG 2.97Å; L438-R506 HydrophobicContact CD1-CG 4.23Å; L438-K521 HydrophobicContact CD1-CB 4.34Å; L438-K521 HydrophobicContact CD2-CB 4.36Å; L438-K521 WeakPolarHBondContact CD2-O 3.4Å; L438-L523 HydrophobicContact CB-CD1 3.89Å; L438-L523 HydrophobicContact CB-CD2 4.36Å; L438-L523 HydrophobicContact CB-CG 3.84Å; L438-L523 HydrophobicContact CD1-CD2 3.81Å; L438-L523 HydrophobicContact CD1-CG 3.91Å
439L84.8Confident75.4Confident25 Ų2566 Ų6613%0.13135%0.345CS..Hα-helixtrans-69-44.7175.6-69.1168.4000112L431 V435 V436 L461 V467 F469 F504 L523L431-L439 HydrophobicContact CD1-CD1 3.99Å; V435-L439 HydrophobicContact CG1-CD1 4.04Å; V435-L439 HydrophobicContact CG1-CG 4.44Å; V435-L439 WeakPolarHBondContact O-CG 3.25Å; V435-L439 PolarHBondContact O-N 3.12Å; V436-L439 PolarHBondContact O-N 2.75Å; V436-L439 VanDerWaalsContact O-N 3.12Å; L439-L461 HydrophobicContact CD1-CD2 4.16Å; L439-V467 HydrophobicContact CD1-CG1 3.48Å; L439-V467 VanDerWaalsContact CD1-CG1 3.48Å; L439-V467 HydrophobicContact CD2-CG1 4.43Å; L439-F469 HydrophobicContact CD2-CB 4.19Å; L439-F469 HydrophobicContact CD2-CD2 3.75Å; L439-F469 HydrophobicContact CD2-CG 4.37Å; L439-F504 HydrophobicContact CD1-CD2 4.48Å; L439-F504 HydrophobicContact CD2-CD2 4.2Å; L439-F504 HydrophobicContact CD2-CE2 3.92Å; L439-L523 HydrophobicContact CD2-CD1 3.62Å; L439-L523 HydrophobicContact CG-CD1 3.81Å
440E81.6Confident73.5Confident59 Ų5968.6 Ų68.628%0.27638%0.375SS..Hα-helixtrans-72.2-33.9-178.4-70.1179.4156.400112.3V436 N442 S457 L461V436-E440 HydrophobicContact CG1-CG 4.12Å; V436-E440 WeakPolarHBondContact O-CB 3.32Å; V436-E440 WeakPolarHBondContact O-CG 3.44Å; V436-E440 PolarHBondContact O-N 3.32Å; E440-N442 PolarHBondContact O-N 3.42Å; E440-S457 WeakPolarHBondContact O-CB 3.45Å; E440-S457 PolarHBondContact O-OG 2.81Å; E440-L461 HydrophobicContact CG-CB 4.23Å; E440-L461 PolarHBondContact OE1-N 3.04Å
441S68.8Low71.6Confident22 Ų2263.8 Ų63.815%0.15436%0.36CS..THydrogen-bonded Turntrans-61.8-17.6-176.5660000114.2Q437 L438 I443Q437-S441 WeakPolarHBondContact O-CB 3.46Å; Q437-S441 PolarHBondContact O-N 3.19Å; Q437-S441 PolarHBondContact O-OG 2.9Å; L438-S441 PolarHBondContact O-OG 2.97Å; S441-I443 PolarHBondContact O-N 2.92Å; S441-I443 WeakPolarHBondContact OG-CD1 3.4Å; S441-I443 WeakPolarHBondContact OG-CG1 3.14Å
442N61.4Low69.8Low136 Ų13673.5 Ų73.573%0.72740%0.395SS*.  trans44.630.2178.7-1389.5000113.8E440 D444E440-N442 PolarHBondContact O-N 3.42Å; N442-D444 PolarHBondContact O-N 3.46Å
443I61.9Low67.8Low71 Ų7174.7 Ų74.736%0.36440%0.404SS..  trans-66.8121.5-177.6-66.5171.2000107.2S441 P445 D448S441-I443 PolarHBondContact O-N 2.92Å; S441-I443 WeakPolarHBondContact OG-CD1 3.4Å; S441-I443 WeakPolarHBondContact OG-CG1 3.14Å; I443-P445 WeakPolarHBondContact O-CD 3.47Å; I443-D448 HydrophobicContact CB-CB 4.47Å; I443-D448 HydrophobicContact CG2-CB 3.53Å
444D63.9Low66.2Low70 Ų7076.1 Ų76.137%0.37440%0.404SS..  trans-67116.9170.3-179.4-6.6000108.6N442 F446 A447 D448N442-D444 PolarHBondContact O-N 3.46Å; D444-F446 PolarHBondContact O-N 3.25Å; D444-F446 PolarHBondContact OD1-N 3.47Å; D444-A447 HydrophobicContact CB-CB 3.96Å; D444-A447 PolarHBondContact O-N 3.34Å; D444-A447 WeakPolarHBondContact OD2-CB 3.49Å; D444-D448 PolarHBondContact N-OD2 3.27Å; D444-D448 VanDerWaalsContact N-OD2 3.17Å; D444-D448 PolarHBondContact O-N 3.44Å
445P60.7Low64.4Low25 Ų2580.5 Ų80.516%0.16243%0.425CS..THydrogen-bonded Turntrans-60-20.6-179-2538.1000113.8I443 R449 P472 C524 L526I443-P445 WeakPolarHBondContact O-CD 3.47Å; P445-R449 WeakPolarHBondContact O-CG 3.45Å; P445-R449 PolarHBondContact O-NE 2.89Å; P445-P472 HydrophobicContact CB-CG 4.49Å; P445-P472 HydrophobicContact CG-CG 3.84Å; P445-C524 WeakPolarHBondContact CG-SG 3.36Å; P445-L526 HydrophobicContact CB-CD1 4.09Å; P445-L526 HydrophobicContact CB-CD2 4.21Å; P445-L526 WeakPolarHBondContact O-CD1 3.47Å
446F61.6Low62.7Low108 Ų10887.6 Ų87.647%0.47446%0.463SS..THydrogen-bonded Turntrans-89.3-54.1175-72.9-80.6000112.3D444 P472 H473 L526D444-F446 PolarHBondContact O-N 3.25Å; D444-F446 PolarHBondContact OD1-N 3.47Å; F446-P472 HydrophobicContact CD2-CB 4.17Å; F446-P472 HydrophobicContact CE2-CB 3.7Å; F446-H473 WeakPolarHBondContact CE2-O 3.13Å; F446-H473 WeakPolarHBondContact CZ-O 3.46Å; F446-L526 HydrophobicContact CD2-CD2 4.43Å; F446-L526 HydrophobicContact CE1-CD2 4.28Å; F446-L526 HydrophobicContact CE2-CD2 3.81Å; F446-L526 HydrophobicContact CZ-CD2 3.73Å
447A56.1Low61Low72 Ų7288.3 Ų88.360%0.59547%0.469SS*.THydrogen-bonded Turntrans-78-37.4-17200000113.8D444D444-A447 HydrophobicContact CB-CB 3.96Å; D444-A447 PolarHBondContact O-N 3.34Å; D444-A447 WeakPolarHBondContact OD2-CB 3.49Å
448D56.8Low59.6Low56 Ų5689.5 Ų89.530%0.29948%0.483SS..  trans-102.317-163.5-69.2-35.9000114.6I443 D444 G450 V451I443-D448 HydrophobicContact CB-CB 4.47Å; I443-D448 HydrophobicContact CG2-CB 3.53Å; D444-D448 PolarHBondContact N-OD2 3.27Å; D444-D448 VanDerWaalsContact N-OD2 3.17Å; D444-D448 PolarHBondContact O-N 3.44Å; D448-G450 PolarHBondContact O-N 3.02Å; D448-V451 HydrophobicContact CB-CB 4.19Å; D448-V451 HydrophobicContact CB-CG2 4.14Å; D448-V451 PolarHBondContact O-N 3.14Å
449R56.9Low58.5Low132 Ų13293.9 Ų93.950%0.49851%0.507SS..THydrogen-bonded Turntrans-54.6-19.9179.6-67.3-177.9170.8-165.7-0.7114.5P445 D530P445-R449 WeakPolarHBondContact O-CG 3.45Å; P445-R449 PolarHBondContact O-NE 2.89Å; R449-D530 IonicContact CZ-OD2 3.27Å; R449-D530 VanDerWaalsContact NH1-CG 3.31Å; R449-D530 IonicContact NH1-OD1 2.84Å; R449-D530 PolarHBondContact NH1-OD1 2.89Å; R449-D530 IonicContact NH1-OD2 2.79Å; R449-D530 PolarHBondContact NH1-OD2 2.82Å; R449-D530 IonicContact NH2-OD2 3.84Å; R449-D530 PolarHBondContact NH2-OD2 2.88Å
450G51.6Low57.8Low67 Ų67103.4 Ų103.469%0.69154%0.541SS*.THydrogen-bonded Turntrans-101.3-13.9176.400000115.5D448 R452D448-G450 PolarHBondContact O-N 3.02Å; G450-R452 PolarHBondContact O-N 3.36Å
451V51Low57.7Low73 Ų73103.4 Ų103.444%0.44254%0.543SS..  trans-82.4101.4-173.8-174.30000108.7D448 S453D448-V451 HydrophobicContact CB-CB 4.19Å; D448-V451 HydrophobicContact CB-CG2 4.14Å; D448-V451 PolarHBondContact O-N 3.14Å; V451-S453 VanDerWaalsContact C-N 3.35Å
452R50.7Low58.5Low232 Ų232105.4 Ų105.488%0.87555%0.552SS**  trans-86.8-8176.4-66.3-177.4-178.61771.8113.5G450 I454G450-R452 PolarHBondContact O-N 3.36Å; R452-I454 PolarHBondContact O-N 2.81Å
453S47.1Very low59.8Low84 Ų84101.3 Ų101.359%0.58753%0.533SS*.  trans-85.9104.7176.1-166.10000107.3V451 Q455V451-S453 VanDerWaalsContact C-N 3.35Å; S453-Q455 PolarHBondContact O-N 3.12Å
454I51.1Low61.1Low114 Ų11498.8 Ų98.859%0.58552%0.521SS*.  trans-60.998.6159.1-57166.6000103.7R452 D456R452-I454 PolarHBondContact O-N 2.81Å; I454-D456 PolarHBondContact O-N 2.83Å
455Q47.1Very low62.4Low157 Ų15799.8 Ų99.873%0.73452%0.519SS*.  trans-61.6135.1163.3-73-178.9-8.500105.2S453 S457S453-Q455 PolarHBondContact O-N 3.12Å; Q455-S457 PolarHBondContact O-N 3.42Å
456D50.8Low64Low158 Ų15899 Ų9985%0.84551%0.514SS*.  trans-60.286.8173.4-77.2-32000107.8I454 V458I454-D456 PolarHBondContact O-N 2.83Å; D456-V458 PolarHBondContact O-N 3.39Å
457S51.1Low65.4Low48 Ų4894 Ų9434%0.33649%0.492SS..  trans-66.6130.4168.946.70000106.9E440 Q455 D459E440-S457 WeakPolarHBondContact O-CB 3.45Å; E440-S457 PolarHBondContact O-OG 2.81Å; Q455-S457 PolarHBondContact O-N 3.42Å; S457-D459 PolarHBondContact O-N 3.11Å
458V53.6Low66.9Low135 Ų13593.3 Ų93.382%0.81848%0.48SS*.SBendtrans-75.6-14.1-170.6179.70000111.6D456 R460D456-V458 PolarHBondContact O-N 3.39Å; V458-R460 PolarHBondContact O-N 3.37Å; V458-R460 VanDerWaalsContact O-N 3.07Å
459D59.4Low68.4Low127 Ų12792.2 Ų92.268%0.67947%0.473SS*.  trans-88.280.6-173.4-62.1-24.8000111S457 L461S457-D459 PolarHBondContact O-N 3.11Å; D459-L461 PolarHBondContact O-N 3.42Å
460R70.7Confident69.9Low225 Ų22595.6 Ų95.685%0.84949%0.486SS*.  trans-61.9131.9168-69.8-176.7-179.1171.21.7109.7V458 D462V458-R460 PolarHBondContact O-N 3.37Å; V458-R460 VanDerWaalsContact O-N 3.07Å; R460-D462 PolarHBondContact O-N 2.88Å
461L78.9Confident71.7Confident59 Ų5992.6 Ų92.631%0.30945%0.454SS..  trans-65.7119.1179.8-175.569.3000110.2L431 L439 E440 D459 P463 V467L431-L461 HydrophobicContact CD1-CD2 4.25Å; L439-L461 HydrophobicContact CD1-CD2 4.16Å; E440-L461 HydrophobicContact CG-CB 4.23Å; E440-L461 PolarHBondContact OE1-N 3.04Å; D459-L461 PolarHBondContact O-N 3.42Å; L461-P463 VanDerWaalsContact O-CD 3.3Å; L461-P463 WeakPolarHBondContact O-CD 3.41Å; L461-V467 HydrophobicContact CD1-CG2 4.49Å; L461-V467 HydrophobicContact CD2-CG1 4.47Å; L461-V467 HydrophobicContact CD2-CG2 4.13Å
462D86.3Confident73.5Confident65 Ų6590.3 Ų90.335%0.34844%0.441SS..  trans-71.1113.3170.3-179.5-9.2000109.3R460 T464 R465R460-D462 PolarHBondContact O-N 2.88Å; D462-T464 VanDerWaalsContact CG-OG1 3.25Å; D462-T464 PolarHBondContact O-N 3.48Å; D462-T464 WeakPolarHBondContact OD1-CB 3.06Å; D462-T464 PolarHBondContact OD1-N 3.19Å; D462-T464 PolarHBondContact OD1-OG1 3.41Å; D462-T464 PolarHBondContact OD2-OG1 2.8Å; D462-R465 HydrophobicContact CB-CB 4.28Å; D462-R465 HydrophobicContact CB-CG 4.18Å; D462-R465 PolarHBondContact O-N 3.02Å; D462-R465 IonicContact OD2-NE 3.72Å
463P88.2Confident75.2Confident49 Ų4985.7 Ų85.732%0.31843%0.429SS..THydrogen-bonded Turntrans-67.4-16.7-176.429.4-35.9000113.2E428 K429 L461E428-P463 HydrophobicContact CB-CB 4.09Å; E428-P463 HydrophobicContact CB-CG 4.32Å; E428-P463 HydrophobicContact CG-CB 4.35Å; E428-P463 HydrophobicContact CG-CG 4.05Å; K429-P463 PolarHBondContact N-O 2.97Å; L461-P463 VanDerWaalsContact O-CD 3.3Å; L461-P463 WeakPolarHBondContact O-CD 3.41Å
464T90.1Very high77.2Confident19 Ų1984.8 Ų84.812%0.11742%0.417CS..THydrogen-bonded Turntrans-81.9-19.5178.168.40000113.1Y401 L426 W427 E428 D462Y401-T464 PolarHBondContact N-O 2.92Å; L426-T464 HydrophobicContact CB-CG2 3.97Å; W427-T464 WeakPolarHBondContact O-CA 3.04Å; E428-T464 HydrophobicContact CG-CG2 3.8Å; D462-T464 VanDerWaalsContact CG-OG1 3.25Å; D462-T464 PolarHBondContact O-N 3.48Å; D462-T464 WeakPolarHBondContact OD1-CB 3.06Å; D462-T464 PolarHBondContact OD1-N 3.19Å; D462-T464 PolarHBondContact OD1-OG1 3.41Å; D462-T464 PolarHBondContact OD2-OG1 2.8Å
465R91.5Very high79Confident91 Ų9179.3 Ų79.334%0.34339%0.39SS..BIsolated β-bridgetrans-87.7148.9178.5-72.3-178.7171.9-101.81.7111.5E398 G399 I400 Y401 D462 V467E398-R465 IonicContact OE2-NH1 2.67Å; E398-R465 PolarHBondContact OE2-NH1 3.23Å; G399-R465 CarbonylContact O-C 3.47Å; G399-R465 WeakPolarHBondContact O-CA 3.39Å; I400-R465 HydrophobicContact CG2-CG 4.36Å; Y401-R465 WeakPolarHBondContact CE2-O 3.41Å; D462-R465 HydrophobicContact CB-CB 4.28Å; D462-R465 HydrophobicContact CB-CG 4.18Å; D462-R465 PolarHBondContact O-N 3.02Å; D462-R465 IonicContact OD2-NE 3.72Å; R465-V467 PolarHBondContact O-N 2.76Å
466V92.8Very high81.1Confident9 Ų971.9 Ų71.96%0.05536%0.355CS..  trans-59.8129.1175.4169.80000108.6G399 Y401 A412 I414 T468 M497G399-V466 VanDerWaalsContact C-CG2 3.44Å; G399-V466 PolarHBondContact O-N 3.24Å; Y401-V466 HydrophobicContact CD1-CG2 4.27Å; Y401-V466 HydrophobicContact CE1-CG2 3.98Å; A412-V466 HydrophobicContact CB-CG2 3.78Å; I414-V466 HydrophobicContact CG1-CG2 4.29Å; V466-T468 HydrophobicContact CG1-CG2 4.44Å; V466-T468 PolarHBondContact O-N 2.79Å; V466-M497 HydrophobicContact CG1-CB 3.91Å
467V91Very high83.1Confident2 Ų264.3 Ų64.31%0.01231%0.314CS..  trans-82115.9-175.3177.40000107.7Y401 K429 L431 L439 L461 R465 L498 F504Y401-V467 PolarHBondContact OH-N 3.24Å; K429-V467 HydrophobicContact CD-CG2 4.15Å; L431-V467 HydrophobicContact CD1-CB 4.44Å; L431-V467 HydrophobicContact CD1-CG1 4.05Å; L431-V467 HydrophobicContact CD1-CG2 3.89Å; L439-V467 HydrophobicContact CD1-CG1 3.48Å; L439-V467 VanDerWaalsContact CD1-CG1 3.48Å; L439-V467 HydrophobicContact CD2-CG1 4.43Å; L461-V467 HydrophobicContact CD1-CG2 4.49Å; L461-V467 HydrophobicContact CD2-CG1 4.47Å; L461-V467 HydrophobicContact CD2-CG2 4.13Å; R465-V467 PolarHBondContact O-N 2.76Å; V467-L498 HydrophobicContact CB-CB 4.38Å; V467-L498 HydrophobicContact CB-CD1 4.05Å; V467-L498 HydrophobicContact CB-CG 4.37Å; V467-L498 HydrophobicContact CG1-CD1 4.05Å; V467-L498 PolarHBondContact O-N 2.88Å; V467-F504 HydrophobicContact CG1-CE2 4.12Å
468T89.2Confident85.1Confident57 Ų5763.2 Ų63.235%0.3530%0.304SS..EExtended strand (participates in β ladder)trans-110141-177.765.10000111.1V466 L495 A496 M497V466-T468 HydrophobicContact CG1-CG2 4.44Å; V466-T468 PolarHBondContact O-N 2.79Å; T468-L495 HydrophobicContact CG2-CD2 4.45Å; T468-A496 CarbonylContact C-O 3.53Å; T468-A496 VanDerWaalsContact CA-O 3.3Å; T468-A496 WeakPolarHBondContact CA-O 3.36Å; T468-M497 HydrophobicContact CG2-CG 3.92Å; T468-M497 HydrophobicContact CG2-SD 4.37Å
469F88.3Confident87Confident34 Ų3456.9 Ų56.915%0.14927%0.265CS..EExtended strand (participates in β ladder)trans-133.3124.4173.2-178-100000110.1L439 V471 V477 A496 F504 L523 C524L439-F469 HydrophobicContact CD2-CB 4.19Å; L439-F469 HydrophobicContact CD2-CD2 3.75Å; L439-F469 HydrophobicContact CD2-CG 4.37Å; F469-V471 HydrophobicContact CD1-CG2 4.15Å; F469-V471 PolarHBondContact O-N 2.8Å; F469-V477 HydrophobicContact CD1-CG2 3.84Å; F469-V477 HydrophobicContact CE1-CG2 3.59Å; F469-A496 PolarHBondContact N-O 3.1Å; F469-A496 PolarHBondContact O-N 2.76Å; F469-F504 HydrophobicContact CB-CE1 3.97Å; F469-F504 HydrophobicContact CB-CE2 3.81Å; F469-F504 HydrophobicContact CB-CZ 3.32Å; F469-F504 HydrophobicContact CG-CZ 4.24Å; F469-L523 HydrophobicContact CD2-CD1 4.33Å; F469-L523 HydrophobicContact CE2-CB 4.42Å; F469-L523 HydrophobicContact CE2-CD1 4.32Å; F469-L523 HydrophobicContact CZ-CB 4.3Å; F469-C524 HydrophobicContact CE1-CB 4.04Å; F469-C524 HydrophobicContact CZ-CB 4.23Å
470R88.5Confident88.5Confident203 Ų20354.5 Ų54.577%0.76625%0.248SC*.EExtended strand (participates in β ladder)trans-78.1106.6175.8-73.3-178178.9-178.81.4108.9P472 L495R470-P472 VanDerWaalsContact O-CD 3.27Å; R470-P472 WeakPolarHBondContact O-CD 3.39Å; R470-L495 HydrophobicContact CB-CD1 4.45Å; R470-L495 HydrophobicContact CG-CD1 3.5Å; R470-L495 VanDerWaalsContact CG-CD1 3.5Å
471V89.2Confident89.5Confident4 Ų444.9 Ų44.92%0.02421%0.213CC..EExtended strand (participates in β ladder)trans-72.7117.9175.7-171.70000108.2F469 A475 V477 E490 P493 N494 A496F469-V471 HydrophobicContact CD1-CG2 4.15Å; F469-V471 PolarHBondContact O-N 2.8Å; V471-A475 HydrophobicContact CG1-CB 4.17Å; V471-V477 HydrophobicContact CB-CG2 4.45Å; V471-V477 HydrophobicContact CG1-CG2 4.01Å; V471-V477 HydrophobicContact CG2-CB 4.11Å; V471-V477 HydrophobicContact CG2-CG2 3.79Å; V471-E490 HydrophobicContact CG2-CB 4.5Å; V471-P493 WeakPolarHBondContact O-CA 3.34Å; V471-N494 WeakPolarHBondContact CB-O 3.18Å; V471-N494 PolarHBondContact N-O 2.83Å; V471-N494 PolarHBondContact O-N 3.27Å; V471-A496 HydrophobicContact CG2-CB 4.04Å
472P87.9Confident89.8Confident25 Ų2548.4 Ų48.416%0.16222%0.223CC..PPolyproline II helixtrans-62.5163.2-179.5-22.333000112.9P445 F446 R470 N474 A475 G492P445-P472 HydrophobicContact CB-CG 4.49Å; P445-P472 HydrophobicContact CG-CG 3.84Å; F446-P472 HydrophobicContact CD2-CB 4.17Å; F446-P472 HydrophobicContact CE2-CB 3.7Å; R470-P472 VanDerWaalsContact O-CD 3.27Å; R470-P472 WeakPolarHBondContact O-CD 3.39Å; P472-N474 PolarHBondContact O-N 3.5Å; P472-A475 HydrophobicContact CB-CB 4.16Å; P472-A475 HydrophobicContact CG-CB 4.41Å; P472-A475 WeakPolarHBondContact O-CB 3.39Å; P472-A475 PolarHBondContact O-N 3.08Å; P472-G492 VanDerWaalsContact O-CA 3.29Å; P472-G492 WeakPolarHBondContact O-CA 3.45Å
473H86.4Confident89.9Confident134 Ų13452 Ų5262%0.6224%0.236SC*.THydrogen-bonded Turntrans-58140173-167.576.1000110.6F446 A475F446-H473 WeakPolarHBondContact CE2-O 3.13Å; F446-H473 WeakPolarHBondContact CZ-O 3.46Å; H473-A475 PolarHBondContact O-N 2.81Å
474N88.2Confident89.9Confident65 Ų6554.5 Ų54.535%0.34825%0.246SC..THydrogen-bonded Turntrans57.536.8177.3-160.624.6000113.4P472 L527 G528P472-N474 PolarHBondContact O-N 3.5Å; N474-L527 WeakPolarHBondContact O-CB 3.44Å; N474-L527 PolarHBondContact O-N 3.19Å; N474-G528 PolarHBondContact ND2-O 3.09Å
475A90.4Very high89.8Confident0 Ų061.5 Ų61.50%028%0.275CS..EExtended strand (participates in β ladder)trans-130.5159.2175.400000110V471 P472 H473 G492 L525 L526V471-A475 HydrophobicContact CG1-CB 4.17Å; P472-A475 HydrophobicContact CB-CB 4.16Å; P472-A475 HydrophobicContact CG-CB 4.41Å; P472-A475 WeakPolarHBondContact O-CB 3.39Å; P472-A475 PolarHBondContact O-N 3.08Å; H473-A475 PolarHBondContact O-N 2.81Å; A475-G492 PolarHBondContact O-N 3.07Å; A475-L525 CarbonylContact C-O 3.59Å; A475-L525 WeakPolarHBondContact CA-O 3.3Å; A475-L526 HydrophobicContact CB-CD2 3.77Å
476A91Very high89.6Confident0 Ų066.3 Ų66.30%029%0.293CS..EExtended strand (participates in β ladder)trans-129.2147.8174.200000110.6V489 E490 F491 C524 L525 L527 L570 F571A476-V489 HydrophobicContact CB-CG1 3.95Å; A476-E490 CarbonylContact C-O 3.46Å; A476-E490 WeakPolarHBondContact CA-O 3.42Å; A476-F491 HydrophobicContact CB-CD1 3.88Å; A476-F491 HydrophobicContact CB-CE1 3.91Å; A476-C524 WeakPolarHBondContact O-CA 3.36Å; A476-L525 PolarHBondContact N-O 2.85Å; A476-L525 PolarHBondContact O-N 2.88Å; A476-L527 HydrophobicContact CB-CD2 4.26Å; A476-L570 HydrophobicContact CB-CD1 4.27Å; A476-F571 HydrophobicContact CB-CE2 4Å; A476-F571 HydrophobicContact CB-CZ 4.07Å
477V92Very high89.4Confident0 Ų068.2 Ų68.20%031%0.31CS..EExtended strand (participates in β ladder)trans-128.5137.2173.6173.20000109.2F469 V471 I479 V489 E490 F504 C524F469-V477 HydrophobicContact CD1-CG2 3.84Å; F469-V477 HydrophobicContact CE1-CG2 3.59Å; V471-V477 HydrophobicContact CB-CG2 4.45Å; V471-V477 HydrophobicContact CG1-CG2 4.01Å; V471-V477 HydrophobicContact CG2-CB 4.11Å; V471-V477 HydrophobicContact CG2-CG2 3.79Å; V477-I479 HydrophobicContact CG1-CG1 4.37Å; V477-V489 CarbonylContact O-C 3.57Å; V477-V489 WeakPolarHBondContact O-CA 3.27Å; V477-E490 PolarHBondContact N-O 2.83Å; V477-E490 PolarHBondContact O-N 3.25Å; V477-F504 HydrophobicContact CG1-CD1 3.37Å; V477-F504 HydrophobicContact CG1-CE1 3.65Å; V477-C524 HydrophobicContact CG2-CB 3.64Å
478Q92.8Very high89.4Confident25 Ų2572.8 Ų72.812%0.11733%0.327CS..EExtended strand (participates in β ladder)trans-101.7125.4175.4-175.4178.147.300110.8A487 R488 V489 T505 F571Q478-A487 HydrophobicContact CG-CB 4.08Å; Q478-R488 WeakPolarHBondContact CA-O 3.16Å; Q478-V489 HydrophobicContact CB-CG2 4.37Å; Q478-V489 HydrophobicContact CG-CG2 4.3Å; Q478-T505 WeakPolarHBondContact O-CB 3.35Å; Q478-T505 PolarHBondContact O-N 3.03Å; Q478-T505 PolarHBondContact O-OG1 3.41Å; Q478-T505 PolarHBondContact OE1-OG1 2.96Å; Q478-F571 HydrophobicContact CB-CB 4.5Å; Q478-F571 HydrophobicContact CB-CD1 3.6Å; Q478-F571 HydrophobicContact CB-CD2 3.89Å; Q478-F571 HydrophobicContact CB-CE1 3.68Å; Q478-F571 HydrophobicContact CB-CE2 3.96Å; Q478-F571 HydrophobicContact CB-CG 3.73Å; Q478-F571 HydrophobicContact CB-CZ 3.87Å; Q478-F571 HydrophobicContact CG-CG 4.32Å; Q478-F571 VanDerWaalsContact OE1-CB 3.23Å
479I93.4Very high89.4Confident1 Ų171.3 Ų71.31%0.00532%0.318CS..EExtended strand (participates in β ladder)trans-111.3125.4177.6-58.7167.6000108V477 A487 R488 E490 A496 L498 E502 Q503 F504V477-I479 HydrophobicContact CG1-CG1 4.37Å; I479-A487 CarbonylContact O-C 3.57Å; I479-A487 VanDerWaalsContact O-CA 3.32Å; I479-A487 WeakPolarHBondContact O-CA 3.32Å; I479-R488 HydrophobicContact CB-CG 3.98Å; I479-R488 PolarHBondContact N-O 3.28Å; I479-R488 PolarHBondContact O-N 2.85Å; I479-E490 HydrophobicContact CD1-CG 3.95Å; I479-A496 HydrophobicContact CD1-CB 3.91Å; I479-L498 HydrophobicContact CB-CD2 4.41Å; I479-L498 HydrophobicContact CD1-CD2 4.15Å; I479-L498 HydrophobicContact CG1-CD2 4.05Å; I479-L498 HydrophobicContact CG2-CD2 3.52Å; I479-E502 HydrophobicContact CG2-CB 3.7Å; I479-E502 HydrophobicContact CG2-CG 4.12Å; I479-Q503 CarbonylContact C-O 3.56Å; I479-Q503 WeakPolarHBondContact CA-O 3.43Å; I479-F504 HydrophobicContact CD1-CE1 4.15Å; I479-F504 HydrophobicContact CG1-CD1 3.91Å; I479-F504 HydrophobicContact CG1-CE1 3.84Å
480Y91.3Very high89.5Confident78 Ų7872.1 Ų72.131%0.30632%0.322SS..EExtended strand (participates in β ladder)trans-105.9122.4179.2-167.5-92.7000110.8Y482 A487 E502 Q503Y480-Y482 AromaticContact CD1-CD1 3.85Å; Y480-Y482 HydrophobicContact CD1-CD1 3.85Å; Y480-Y482 AromaticContact CD1-CD2 3.94Å; Y480-Y482 HydrophobicContact CD1-CD2 3.94Å; Y480-Y482 AromaticContact CD1-CE1 3.83Å; Y480-Y482 HydrophobicContact CD1-CE1 3.83Å; Y480-Y482 AromaticContact CD1-CE2 3.92Å; Y480-Y482 HydrophobicContact CD1-CE2 3.92Å; Y480-Y482 AromaticContact CD1-CG 3.91Å; Y480-Y482 HydrophobicContact CD1-CG 3.91Å; Y480-Y482 AromaticContact CD1-CZ 3.88Å; Y480-Y482 AromaticContact CE1-CD1 3.71Å; Y480-Y482 HydrophobicContact CE1-CD1 3.71Å; Y480-Y482 AromaticContact CE1-CE1 3.91Å; Y480-Y482 HydrophobicContact CE1-CE1 3.91Å; Y480-Y482 HydrophobicContact CE1-CG 4.07Å; Y480-A487 HydrophobicContact CD2-CB 3.99Å; Y480-E502 CarbonylContact O-C 3.52Å; Y480-E502 VanDerWaalsContact O-CA 3.28Å; Y480-E502 WeakPolarHBondContact O-CA 3.35Å; Y480-Q503 PolarHBondContact N-O 2.66Å; Y480-Q503 PolarHBondContact O-N 3.32Å
481D91.3Very high89.7Confident23 Ų2364.3 Ų64.312%0.12329%0.294CS..EExtended strand (participates in β ladder)trans-91.4111.4172.1-179.2-18.1000109.5K483 N484 K485 R486 E502D481-K483 VanDerWaalsContact C-N 3.34Å; D481-K483 WeakPolarHBondContact OD1-CA 3.41Å; D481-K483 WeakPolarHBondContact OD1-CB 3.43Å; D481-K483 PolarHBondContact OD1-N 2.85Å; D481-N484 PolarHBondContact OD1-N 2.81Å; D481-N484 WeakPolarHBondContact OD2-CB 3.46Å; D481-N484 PolarHBondContact OD2-ND2 2.83Å; D481-K485 WeakPolarHBondContact O-CA 3.5Å; D481-K485 PolarHBondContact O-N 2.77Å; D481-R486 PolarHBondContact N-O 3.14Å; D481-R486 PolarHBondContact O-N 2.77Å; D481-E502 HydrophobicContact CB-CG 4.04Å
482Y86.5Confident89.5Confident132 Ų13264.9 Ų64.952%0.51830%0.3SS..THydrogen-bonded Turntrans-74-24.1-179.1-74.2-84.8000113.7Y480 D501 Q503Y480-Y482 AromaticContact CD1-CD1 3.85Å; Y480-Y482 HydrophobicContact CD1-CD1 3.85Å; Y480-Y482 AromaticContact CD1-CD2 3.94Å; Y480-Y482 HydrophobicContact CD1-CD2 3.94Å; Y480-Y482 AromaticContact CD1-CE1 3.83Å; Y480-Y482 HydrophobicContact CD1-CE1 3.83Å; Y480-Y482 AromaticContact CD1-CE2 3.92Å; Y480-Y482 HydrophobicContact CD1-CE2 3.92Å; Y480-Y482 AromaticContact CD1-CG 3.91Å; Y480-Y482 HydrophobicContact CD1-CG 3.91Å; Y480-Y482 AromaticContact CD1-CZ 3.88Å; Y480-Y482 AromaticContact CE1-CD1 3.71Å; Y480-Y482 HydrophobicContact CE1-CD1 3.71Å; Y480-Y482 AromaticContact CE1-CE1 3.91Å; Y480-Y482 HydrophobicContact CE1-CE1 3.91Å; Y480-Y482 HydrophobicContact CE1-CG 4.07Å; Y482-D501 PolarHBondContact N-O 3.46Å; Y482-Q503 HydrophobicContact CD2-CG 4.2Å; Y482-Q503 HydrophobicContact CE2-CB 3.92Å; Y482-Q503 VanDerWaalsContact CE2-CD 3.49Å; Y482-Q503 HydrophobicContact CE2-CG 3.72Å
483K87.3Confident89.6Confident142 Ų14268.5 Ų68.562%0.61732%0.324SS*.THydrogen-bonded Turntrans-75.7-47.1178.7179.1172.9177.1179.80110.7D481 D501D481-K483 VanDerWaalsContact C-N 3.34Å; D481-K483 WeakPolarHBondContact OD1-CA 3.41Å; D481-K483 WeakPolarHBondContact OD1-CB 3.43Å; D481-K483 PolarHBondContact OD1-N 2.85Å; K483-D501 HydrophobicContact CB-CB 3.71Å; K483-D501 WeakPolarHBondContact CD-OD2 3.23Å
484N88.1Confident89.7Confident101 Ų10165.7 Ų65.754%0.5431%0.313SS..THydrogen-bonded Turntrans-89.8-7.5179.6-66.2-49.1000113.8D481 R486D481-N484 PolarHBondContact OD1-N 2.81Å; D481-N484 WeakPolarHBondContact OD2-CB 3.46Å; D481-N484 PolarHBondContact OD2-ND2 2.83Å; N484-R486 VanDerWaalsContact C-N 3.29Å; N484-R486 HydrophobicContact CB-CG 4.49Å; N484-R486 PolarHBondContact O-N 3.04Å
485K87.9Confident89.8Confident165 Ų16564 Ų6472%0.71730%0.304SS*.THydrogen-bonded Turntrans53.942.4-175-59.7-178.1179.8179.50112.6D481D481-K485 WeakPolarHBondContact O-CA 3.5Å; D481-K485 PolarHBondContact O-N 2.77Å
486R88.5Confident89.8Confident193 Ų19364.1 Ų64.173%0.72831%0.305SS*.EExtended strand (participates in β ladder)trans-125.7140.3-177.5-72179.2-175.7-165.10.4110.3D481 N484D481-R486 PolarHBondContact N-O 3.14Å; D481-R486 PolarHBondContact O-N 2.77Å; N484-R486 VanDerWaalsContact C-N 3.29Å; N484-R486 HydrophobicContact CB-CG 4.49Å; N484-R486 PolarHBondContact O-N 3.04Å
487A88.2Confident89.8Confident49 Ų4966.3 Ų66.341%0.40532%0.316SS..EExtended strand (participates in β ladder)trans-101.4133.617000000109.3Q478 I479 Y480Q478-A487 HydrophobicContact CG-CB 4.08Å; I479-A487 CarbonylContact O-C 3.57Å; I479-A487 VanDerWaalsContact O-CA 3.32Å; I479-A487 WeakPolarHBondContact O-CA 3.32Å; Y480-A487 HydrophobicContact CD2-CB 3.99Å
488R90.3Very high89.9Confident97 Ų9766.4 Ų66.437%0.36632%0.316SS..EExtended strand (participates in β ladder)trans-112.3149.816570174.2-177.4-133.60.4109.8Q478 I479 E490 M497 E502Q478-R488 WeakPolarHBondContact CA-O 3.16Å; I479-R488 HydrophobicContact CB-CG 3.98Å; I479-R488 PolarHBondContact N-O 3.28Å; I479-R488 PolarHBondContact O-N 2.85Å; R488-E490 IonicContact NE-OE1 3.03Å; R488-M497 PolarHBondContact NH2-O 3.29Å; R488-E502 IonicContact CZ-OE1 3.93Å; R488-E502 IonicContact CZ-OE2 3.47Å; R488-E502 IonicContact NE-OE1 2.78Å; R488-E502 IonicContact NH1-OE1 2.58Å; R488-E502 PolarHBondContact NH1-OE1 2.88Å; R488-E502 IonicContact NH1-OE2 3.96Å; R488-E502 IonicContact NH2-OE1 3.22Å; R488-E502 PolarHBondContact NH2-OE1 3.18Å; R488-E502 IonicContact NH2-OE2 3.93Å; R488-E502 PolarHBondContact NH2-OE2 3.4Å
489V90.9Very high89.8Confident26 Ų2666 Ų6616%0.15832%0.319CS..EExtended strand (participates in β ladder)trans-115.6125.4177177.70000107.9A476 V477 Q478 F491 A567 F571A476-V489 HydrophobicContact CB-CG1 3.95Å; V477-V489 CarbonylContact O-C 3.57Å; V477-V489 WeakPolarHBondContact O-CA 3.27Å; Q478-V489 HydrophobicContact CB-CG2 4.37Å; Q478-V489 HydrophobicContact CG-CG2 4.3Å; V489-F491 HydrophobicContact CG1-CE2 4.2Å; V489-F491 HydrophobicContact CG1-CZ 4.16Å; V489-A567 HydrophobicContact CB-CB 3.91Å; V489-A567 HydrophobicContact CG1-CB 4.21Å; V489-A567 HydrophobicContact CG2-CB 4.23Å; V489-F571 HydrophobicContact CG1-CD2 4.43Å; V489-F571 HydrophobicContact CG1-CE2 3.74Å; V489-F571 HydrophobicContact CG2-CD2 3.93Å; V489-F571 HydrophobicContact CG2-CE2 4.02Å
490E90.4Very high89.6Confident51 Ų5167 Ų6724%0.23833%0.325CS..EExtended strand (participates in β ladder)trans-104.8128176.7-69.4-64.9158.500109.1V471 A476 V477 I479 R488 N494V471-E490 HydrophobicContact CG2-CB 4.5Å; A476-E490 CarbonylContact C-O 3.46Å; A476-E490 WeakPolarHBondContact CA-O 3.42Å; V477-E490 PolarHBondContact N-O 2.83Å; V477-E490 PolarHBondContact O-N 3.25Å; I479-E490 HydrophobicContact CD1-CG 3.95Å; R488-E490 IonicContact NE-OE1 3.03Å; E490-N494 PolarHBondContact OE2-ND2 3.3Å
491F91Very high89.6Confident40 Ų4066.6 Ų66.618%0.17533%0.329CS..EExtended strand (participates in β ladder)trans-97.2140.2176.5-68.2-81.5000110.3A476 V489 N494 L527 V558 A567 L570A476-F491 HydrophobicContact CB-CD1 3.88Å; A476-F491 HydrophobicContact CB-CE1 3.91Å; V489-F491 HydrophobicContact CG1-CE2 4.2Å; V489-F491 HydrophobicContact CG1-CZ 4.16Å; F491-N494 VanDerWaalsContact O-CB 3.26Å; F491-N494 WeakPolarHBondContact O-CB 3.32Å; F491-L527 HydrophobicContact CD1-CD1 4.04Å; F491-L527 HydrophobicContact CE1-CD1 4.1Å; F491-V558 HydrophobicContact CZ-CG1 4.28Å; F491-A567 HydrophobicContact CE2-CB 3.88Å; F491-A567 HydrophobicContact CZ-CB 3.89Å; F491-L570 HydrophobicContact CE1-CD1 3.7Å; F491-L570 HydrophobicContact CZ-CD1 3.87Å
492G86.5Confident89.7Confident16 Ų1666.4 Ų66.417%0.16533%0.327CS..SBendtrans-85.6158.8176.900000113.9P472 A475P472-G492 VanDerWaalsContact O-CA 3.29Å; P472-G492 WeakPolarHBondContact O-CA 3.45Å; A475-G492 PolarHBondContact O-N 3.07Å
493P88.9Confident90Very high101 Ų10162.2 Ų62.266%0.65631%0.312SS*.SBendcis-82.5113.85.532.1-30000111.4V471V471-P493 WeakPolarHBondContact O-CA 3.34Å
494N88.9Confident90.2Very high75 Ų7555.9 Ų55.940%0.40129%0.285SS..EExtended strand (participates in β ladder)trans-149151.3179.5-167.613.2000109.9V471 E490 F491V471-N494 WeakPolarHBondContact CB-O 3.18Å; V471-N494 PolarHBondContact N-O 2.83Å; V471-N494 PolarHBondContact O-N 3.27Å; E490-N494 PolarHBondContact OE2-ND2 3.3Å; F491-N494 VanDerWaalsContact O-CB 3.26Å; F491-N494 WeakPolarHBondContact O-CB 3.32Å
495L90.3Very high90.2Very high29 Ų2953 Ų5315%0.15227%0.271CS..EExtended strand (participates in β ladder)trans-94.8104.2173-172.670000109.2N397 T468 R470 M497N397-L495 HydrophobicContact CB-CD2 3.53Å; N397-L495 WeakPolarHBondContact OD1-CD2 3.42Å; T468-L495 HydrophobicContact CG2-CD2 4.45Å; R470-L495 HydrophobicContact CB-CD1 4.45Å; R470-L495 HydrophobicContact CG-CD1 3.5Å; R470-L495 VanDerWaalsContact CG-CD1 3.5Å; L495-M497 HydrophobicContact CD2-CE 4.17Å; L495-M497 HydrophobicContact CD2-CG 4.4Å; L495-M497 HydrophobicContact CG-CG 4.33Å; L495-M497 PolarHBondContact O-N 2.99Å
496A90.2Very high90.3Very high3 Ų349.8 Ų49.83%0.02525%0.254CS..EExtended strand (participates in β ladder)trans-75.9116.917500000109.9T468 F469 V471 I479 F504T468-A496 CarbonylContact C-O 3.53Å; T468-A496 VanDerWaalsContact CA-O 3.3Å; T468-A496 WeakPolarHBondContact CA-O 3.36Å; F469-A496 PolarHBondContact N-O 3.1Å; F469-A496 PolarHBondContact O-N 2.76Å; V471-A496 HydrophobicContact CG2-CB 4.04Å; I479-A496 HydrophobicContact CD1-CB 3.91Å; A496-F504 HydrophobicContact CB-CE1 4.02Å; A496-F504 HydrophobicContact CB-CZ 4.27Å
497M91.8Very high90.3Very high45 Ų4541 Ų4122%0.22222%0.222CC..EExtended strand (participates in β ladder)trans-108.9124.8175.3-57-165.6-127.800110.3C396 I414 V466 T468 R488 L495C396-M497 WeakPolarHBondContact O-CE 3.38Å; I414-M497 HydrophobicContact CD1-CB 4.44Å; I414-M497 HydrophobicContact CD1-SD 4Å; I414-M497 HydrophobicContact CG1-SD 4.46Å; I414-M497 HydrophobicContact CG2-CE 4.01Å; I414-M497 HydrophobicContact CG2-SD 3.63Å; V466-M497 HydrophobicContact CG1-CB 3.91Å; T468-M497 HydrophobicContact CG2-CG 3.92Å; T468-M497 HydrophobicContact CG2-SD 4.37Å; R488-M497 PolarHBondContact NH2-O 3.29Å; L495-M497 HydrophobicContact CD2-CE 4.17Å; L495-M497 HydrophobicContact CD2-CG 4.4Å; L495-M497 HydrophobicContact CG-CG 4.33Å; L495-M497 PolarHBondContact O-N 2.99Å
498L93.1Very high90.3Very high2 Ų239.5 Ų39.51%0.0121%0.208CC..  trans-79.3134.9-178.5-64.6-174000112.1Y401 L431 V467 I479 E502 F504Y401-L498 PolarHBondContact OH-O 3.03Å; L431-L498 HydrophobicContact CD2-CD1 4.48Å; V467-L498 HydrophobicContact CB-CB 4.38Å; V467-L498 HydrophobicContact CB-CD1 4.05Å; V467-L498 HydrophobicContact CB-CG 4.37Å; V467-L498 HydrophobicContact CG1-CD1 4.05Å; V467-L498 PolarHBondContact O-N 2.88Å; I479-L498 HydrophobicContact CB-CD2 4.41Å; I479-L498 HydrophobicContact CD1-CD2 4.15Å; I479-L498 HydrophobicContact CG1-CD2 4.05Å; I479-L498 HydrophobicContact CG2-CD2 3.52Å; L498-E502 HydrophobicContact CB-CB 4.36Å; L498-E502 HydrophobicContact CD2-CB 4.09Å; L498-F504 HydrophobicContact CD1-CD2 3.76Å; L498-F504 HydrophobicContact CD1-CE2 3.6Å; L498-F504 HydrophobicContact CD1-CG 4.44Å; L498-F504 HydrophobicContact CD1-CZ 4.17Å; L498-F504 HydrophobicContact CD2-CD1 4.2Å; L498-F504 HydrophobicContact CD2-CD2 4.37Å; L498-F504 HydrophobicContact CD2-CE1 3.88Å; L498-F504 HydrophobicContact CD2-CE2 4.06Å; L498-F504 HydrophobicContact CD2-CG 4.42Å; L498-F504 HydrophobicContact CD2-CZ 3.79Å; L498-F504 HydrophobicContact CG-CD2 4.32Å; L498-F504 HydrophobicContact CG-CE1 4.43Å; L498-F504 HydrophobicContact CG-CE2 3.78Å; L498-F504 HydrophobicContact CG-CZ 3.82Å
499G91.1Very high90.3Very high17 Ų1735.9 Ų35.918%0.17520%0.196CC..  trans-70.7169.6161.700000112.7K429 D501 E502K429-G499 PolarHBondContact NZ-O 3.44Å; G499-D501 VanDerWaalsContact C-N 3.28Å; G499-D501 PolarHBondContact O-N 3.41Å; G499-E502 PolarHBondContact N-OE2 3.23Å; G499-E502 PolarHBondContact O-N 3.06Å
500P90.1Very high90.4Very high21 Ų2134.8 Ų34.814%0.13619%0.19CC..THydrogen-bonded Turntrans-55.8-40.4-179.9-24.532.2000113.8Y401 V410 W427 K429Y401-P500 HydrophobicContact CD1-CB 4.4Å; Y401-P500 HydrophobicContact CD1-CG 4Å; Y401-P500 HydrophobicContact CE1-CG 4.26Å; V410-P500 HydrophobicContact CB-CB 4.22Å; V410-P500 HydrophobicContact CB-CG 4.44Å; V410-P500 HydrophobicContact CG1-CB 3.78Å; V410-P500 HydrophobicContact CG1-CG 3.93Å; W427-P500 HydrophobicContact CZ3-CB 4.35Å; K429-P500 VanDerWaalsContact NZ-C 3.33Å; K429-P500 PolarHBondContact NZ-O 3.3Å
501D90.7Very high90.2Very high70 Ų7032.4 Ų32.437%0.37418%0.179SC..THydrogen-bonded Turntrans-96.95.4-176.6-58.4-60000113.5Y482 K483 G499Y482-D501 PolarHBondContact N-O 3.46Å; K483-D501 HydrophobicContact CB-CB 3.71Å; K483-D501 WeakPolarHBondContact CD-OD2 3.23Å; G499-D501 VanDerWaalsContact C-N 3.28Å; G499-D501 PolarHBondContact O-N 3.41Å
502E93.2Very high90.1Very high20 Ų2032.6 Ų32.69%0.09319%0.192CC..EExtended strand (participates in β ladder)trans-97147.2-177.4-65.6-175.5166.200112.7K429 I479 Y480 D481 R488 L498 G499K429-E502 WeakPolarHBondContact CE-O 3.46Å; K429-E502 PolarHBondContact NZ-O 2.86Å; I479-E502 HydrophobicContact CG2-CB 3.7Å; I479-E502 HydrophobicContact CG2-CG 4.12Å; Y480-E502 CarbonylContact O-C 3.52Å; Y480-E502 VanDerWaalsContact O-CA 3.28Å; Y480-E502 WeakPolarHBondContact O-CA 3.35Å; D481-E502 HydrophobicContact CB-CG 4.04Å; R488-E502 IonicContact CZ-OE1 3.93Å; R488-E502 IonicContact CZ-OE2 3.47Å; R488-E502 IonicContact NE-OE1 2.78Å; R488-E502 IonicContact NH1-OE1 2.58Å; R488-E502 PolarHBondContact NH1-OE1 2.88Å; R488-E502 IonicContact NH1-OE2 3.96Å; R488-E502 IonicContact NH2-OE1 3.22Å; R488-E502 PolarHBondContact NH2-OE1 3.18Å; R488-E502 IonicContact NH2-OE2 3.93Å; R488-E502 PolarHBondContact NH2-OE2 3.4Å; L498-E502 HydrophobicContact CB-CB 4.36Å; L498-E502 HydrophobicContact CD2-CB 4.09Å; G499-E502 PolarHBondContact N-OE2 3.23Å; G499-E502 PolarHBondContact O-N 3.06Å
503Q92.2Very high90.1Very high44 Ų4436.8 Ų36.821%0.20621%0.205CC..EExtended strand (participates in β ladder)trans-141.2154171.7-58.5-177.7-3.100111.6L431 I479 Y480 Y482L431-Q503 HydrophobicContact CD2-CB 4.47Å; L431-Q503 HydrophobicContact CD2-CG 4Å; I479-Q503 CarbonylContact C-O 3.56Å; I479-Q503 WeakPolarHBondContact CA-O 3.43Å; Y480-Q503 PolarHBondContact N-O 2.66Å; Y480-Q503 PolarHBondContact O-N 3.32Å; Y482-Q503 HydrophobicContact CD2-CG 4.2Å; Y482-Q503 HydrophobicContact CE2-CB 3.92Å; Y482-Q503 VanDerWaalsContact CE2-CD 3.49Å; Y482-Q503 HydrophobicContact CE2-CG 3.72Å
504F92Very high90.1Very high9 Ų935.2 Ų35.24%0.03920%0.195CC..EExtended strand (participates in β ladder)trans-70.5137.8170.8-67.1-62.3000111.6V435 L439 V467 F469 V477 I479 A496 L498 R506 L523V435-F504 HydrophobicContact CG1-CB 4.39Å; V435-F504 HydrophobicContact CG1-CD2 4.38Å; L439-F504 HydrophobicContact CD1-CD2 4.48Å; L439-F504 HydrophobicContact CD2-CD2 4.2Å; L439-F504 HydrophobicContact CD2-CE2 3.92Å; V467-F504 HydrophobicContact CG1-CE2 4.12Å; F469-F504 HydrophobicContact CB-CE1 3.97Å; F469-F504 HydrophobicContact CB-CE2 3.81Å; F469-F504 HydrophobicContact CB-CZ 3.32Å; F469-F504 HydrophobicContact CG-CZ 4.24Å; V477-F504 HydrophobicContact CG1-CD1 3.37Å; V477-F504 HydrophobicContact CG1-CE1 3.65Å; I479-F504 HydrophobicContact CD1-CE1 4.15Å; I479-F504 HydrophobicContact CG1-CD1 3.91Å; I479-F504 HydrophobicContact CG1-CE1 3.84Å; A496-F504 HydrophobicContact CB-CE1 4.02Å; A496-F504 HydrophobicContact CB-CZ 4.27Å; L498-F504 HydrophobicContact CD1-CD2 3.76Å; L498-F504 HydrophobicContact CD1-CE2 3.6Å; L498-F504 HydrophobicContact CD1-CG 4.44Å; L498-F504 HydrophobicContact CD1-CZ 4.17Å; L498-F504 HydrophobicContact CD2-CD1 4.2Å; L498-F504 HydrophobicContact CD2-CD2 4.37Å; L498-F504 HydrophobicContact CD2-CE1 3.88Å; L498-F504 HydrophobicContact CD2-CE2 4.06Å; L498-F504 HydrophobicContact CD2-CG 4.42Å; L498-F504 HydrophobicContact CD2-CZ 3.79Å; L498-F504 HydrophobicContact CG-CD2 4.32Å; L498-F504 HydrophobicContact CG-CE1 4.43Å; L498-F504 HydrophobicContact CG-CE2 3.78Å; L498-F504 HydrophobicContact CG-CZ 3.82Å; F504-R506 PolarHBondContact O-N 2.9Å; F504-L523 HydrophobicContact CB-CD2 3.92Å; F504-L523 HydrophobicContact CD2-CD1 4.28Å
505T88.9Confident90.1Very high41 Ų4133.8 Ų33.825%0.25219%0.185SC..  trans-82.2115.5171.2-52.70000108.8Q478Q478-T505 WeakPolarHBondContact O-CB 3.35Å; Q478-T505 PolarHBondContact O-N 3.03Å; Q478-T505 PolarHBondContact O-OG1 3.41Å; Q478-T505 PolarHBondContact OE1-OG1 2.96Å
506R88.7Confident90.1Very high97 Ų9738.8 Ų38.837%0.36621%0.206SC..  trans-76.2125.8178.3-177.4-163.665.8169.1-11.1110.7E434 L438 F504E434-R506 IonicContact OE1-NH1 3.24Å; E434-R506 PolarHBondContact OE1-NH1 3.48Å; E434-R506 IonicContact OE2-CZ 3.78Å; E434-R506 IonicContact OE2-NH1 3.17Å; E434-R506 PolarHBondContact OE2-NH1 3.25Å; E434-R506 IonicContact OE2-NH2 3.88Å; L438-R506 HydrophobicContact CD1-CG 4.23Å; F504-R506 PolarHBondContact O-N 2.9Å
507L88.7Confident90.1Very high9 Ų942.6 Ų42.65%0.04723%0.23CC..EExtended strand (participates in β ladder)trans-86.1138.4169.4-60.8171.7000110.5K521 S522 L525 F571L507-K521 WeakPolarHBondContact O-CA 3Å; L507-S522 WeakPolarHBondContact CB-O 3.17Å; L507-S522 PolarHBondContact N-O 2.74Å; L507-S522 PolarHBondContact O-N 3.01Å; L507-S522 VanDerWaalsContact O-N 3.1Å; L507-L525 HydrophobicContact CD1-CB 3.69Å; L507-L525 HydrophobicContact CD1-CD1 4.13Å; L507-F571 HydrophobicContact CD1-CE1 4.1Å; L507-F571 HydrophobicContact CD2-CD1 3.79Å; L507-F571 HydrophobicContact CD2-CE1 4.02Å; L507-F571 HydrophobicContact CG-CE1 4.34Å
508S89.3Confident89.8Confident17 Ų1745.6 Ų45.612%0.11925%0.248CC..EExtended strand (participates in β ladder)trans-126.5100.6173.5-153.30000108.9N518 I520 D575S508-N518 WeakPolarHBondContact OG-CA 3.37Å; S508-N518 PolarHBondContact OG-OD1 2.92Å; S508-I520 CarbonylContact C-O 3.54Å; S508-I520 WeakPolarHBondContact CA-O 3.5Å; S508-D575 WeakPolarHBondContact O-CB 3.46Å
509L90.5Very high89.4Confident20 Ų2049 Ų4911%0.10527%0.269CS..EExtended strand (participates in β ladder)trans-102149-173.3-53174.9000111.2V519 I520 D575 F576 V577L509-V519 PolarHBondContact O-N 3.13Å; L509-I520 HydrophobicContact CB-CB 4.13Å; L509-I520 PolarHBondContact N-O 2.81Å; L509-I520 PolarHBondContact O-N 3.29Å; L509-D575 WeakPolarHBondContact CA-OD1 3.42Å; L509-F576 HydrophobicContact CD1-CE1 4.01Å; L509-F576 HydrophobicContact CD2-CD1 3.73Å; L509-F576 HydrophobicContact CD2-CE1 3.85Å; L509-V577 HydrophobicContact CB-CG2 4.39Å; L509-V577 HydrophobicContact CD1-CG2 4.45Å
510S91.7Very high89.2Confident4 Ų452.1 Ų52.13%0.02828%0.28CS..EExtended strand (participates in β ladder)trans-67.5134.6173-78.80000112.1K516 P517 D575 G578S510-K516 CarbonylContact C-O 3.58Å; S510-K516 WeakPolarHBondContact CA-O 3.5Å; S510-P517 WeakPolarHBondContact OG-CA 3.39Å; S510-D575 WeakPolarHBondContact CB-OD2 3.48Å; S510-D575 PolarHBondContact N-OD1 3.46Å; S510-D575 PolarHBondContact N-OD2 3.47Å; S510-D575 PolarHBondContact OG-OD2 2.97Å; S510-G578 WeakPolarHBondContact OG-CA 3.36Å
511G87.2Confident89Confident1 Ų155.6 Ų55.61%0.0129%0.293CS..EExtended strand (participates in β ladder)trans-134.6169.9-178.700000112.9K516G511-K516 PolarHBondContact N-O 3.34Å; G511-K516 PolarHBondContact O-N 3.22Å
512G87.2Confident88.9Confident43 Ų4353.4 Ų53.444%0.44328%0.283SS..THydrogen-bonded Turntrans84.5-177.7-177.900000114.9P514 K515G512-P514 CarbonylContact C-O 3.57Å; G512-P514 VanDerWaalsContact C-O 3.31Å; G512-K515 PolarHBondContact O-NZ 3.34Å
513K87.6Confident88.7Confident104 Ų10452.7 Ų52.745%0.45228%0.28SS..THydrogen-bonded Turntrans-140.6103.5-179.3-68.5179.6-178.8-172.30108.2T533 V535K513-T533 VanDerWaalsContact CE-CB 3.46Å; K513-T533 WeakPolarHBondContact CE-OG1 3.48Å; K513-V535 HydrophobicContact CB-CG2 3.85Å; K513-V535 HydrophobicContact CG-CG2 4.49Å
514P88.3Confident88.5Confident69 Ų6950.8 Ų50.845%0.44827%0.271SS..THydrogen-bonded Turncis-65.2161.8-330.2-36.8000112.8G512 K516 D534 V535G512-P514 CarbonylContact C-O 3.57Å; G512-P514 VanDerWaalsContact C-O 3.31Å; P514-K516 PolarHBondContact O-N 2.81Å; P514-D534 WeakPolarHBondContact CA-OD1 3.22Å; P514-V535 HydrophobicContact CB-CB 4.36Å; P514-V535 WeakPolarHBondContact CB-O 3.43Å
515K89Confident88.4Confident44 Ų4450.5 Ų50.519%0.19127%0.27CS..THydrogen-bonded Turntrans-61.4124.5178.6-72.8-72.7176-124.30111.9G512 T533 D534 V577 C581G512-K515 PolarHBondContact O-NZ 3.34Å; K515-T533 WeakPolarHBondContact CE-O 3.4Å; K515-T533 PolarHBondContact NZ-O 2.85Å; K515-D534 HydrophobicContact CG-CB 3.96Å; K515-D534 WeakPolarHBondContact CG-OD1 3.39Å; K515-D534 PolarHBondContact N-OD1 3.17Å; K515-V577 HydrophobicContact CD-CG1 4.05Å; K515-C581 HydrophobicContact CG-CB 4.17Å
516K90.3Very high88.5Confident134 Ų13449.4 Ų49.458%0.58326%0.263SS*.EExtended strand (participates in β ladder)trans-113.5138.2173.2-64.5179.4-177.9-179.70109.3S510 G511 P514 V519S510-K516 CarbonylContact C-O 3.58Å; S510-K516 WeakPolarHBondContact CA-O 3.5Å; G511-K516 PolarHBondContact N-O 3.34Å; G511-K516 PolarHBondContact O-N 3.22Å; P514-K516 PolarHBondContact O-N 2.81Å; K516-V519 HydrophobicContact CB-CG2 3.84Å; K516-V519 VanDerWaalsContact O-CG2 3.28Å; K516-V519 WeakPolarHBondContact O-CG2 3.47Å
517P89.6Confident88.6Confident83 Ų8345.2 Ų45.254%0.53925%0.248SC..EExtended strand (participates in β ladder)trans-68.9157-179.729.4-35.2000112.4S510 V519S510-P517 WeakPolarHBondContact OG-CA 3.39Å; P517-V519 VanDerWaalsContact C-N 3.28Å; P517-V519 PolarHBondContact O-N 3.11Å
518N86.3Confident88.4Confident109 Ų10945.2 Ų45.258%0.58325%0.25SC*.EExtended strand (participates in β ladder)trans57.929.9174.2-57.5-20.9000115.8S508S508-N518 WeakPolarHBondContact OG-CA 3.37Å; S508-N518 PolarHBondContact OG-OD1 2.92Å
519V85.9Confident88.5Confident74 Ų7450 Ų5045%0.44828%0.28SS..EExtended strand (participates in β ladder)trans-88.3-42.4-179.7174.40000111.4L509 K516 P517L509-V519 PolarHBondContact O-N 3.13Å; K516-V519 HydrophobicContact CB-CG2 3.84Å; K516-V519 VanDerWaalsContact O-CG2 3.28Å; K516-V519 WeakPolarHBondContact O-CG2 3.47Å; P517-V519 VanDerWaalsContact C-N 3.28Å; P517-V519 PolarHBondContact O-N 3.11Å
520I85.5Confident88.5Confident81 Ų8150.6 Ų50.642%0.41528%0.283SS..EExtended strand (participates in β ladder)trans-101.6118.5-177.3-58.7168.8000107.5S508 L509S508-I520 CarbonylContact C-O 3.54Å; S508-I520 WeakPolarHBondContact CA-O 3.5Å; L509-I520 HydrophobicContact CB-CB 4.13Å; L509-I520 PolarHBondContact N-O 2.81Å; L509-I520 PolarHBondContact O-N 3.29Å
521K87.1Confident88.4Confident94 Ų9455.9 Ų55.941%0.40931%0.306SS..EExtended strand (participates in β ladder)trans-107.5127.5174.1-62.2-178.8-177.2-178.40108.2E434 L438 L507E434-K521 IonicContact OE1-NZ 2.7Å; E434-K521 PolarHBondContact OE1-NZ 2.69Å; L438-K521 HydrophobicContact CD1-CB 4.34Å; L438-K521 HydrophobicContact CD2-CB 4.36Å; L438-K521 WeakPolarHBondContact CD2-O 3.4Å; L507-K521 WeakPolarHBondContact O-CA 3Å
522S87.9Confident88.5Confident24 Ų2456.4 Ų56.417%0.16831%0.31CS..EExtended strand (participates in β ladder)trans-145.1153.6-179.6-178.20000110.7L507 C524L507-S522 WeakPolarHBondContact CB-O 3.17Å; L507-S522 PolarHBondContact N-O 2.74Å; L507-S522 PolarHBondContact O-N 3.01Å; L507-S522 VanDerWaalsContact O-N 3.1Å; S522-C524 PolarHBondContact OG-N 3.15Å; S522-C524 VanDerWaalsContact OG-N 3.12Å; S522-C524 PolarHBondContact OG-O 3.28Å
523L88.2Confident88.7Confident5 Ų555.2 Ų55.23%0.02629%0.294CS..SBendtrans-91.2-21.9169.5-61.2179.2000112.4V435 L438 L439 F469 F504V435-L523 HydrophobicContact CG1-CD1 4.4Å; V435-L523 HydrophobicContact CG1-CD2 4.12Å; V435-L523 HydrophobicContact CG2-CD2 4.4Å; L438-L523 HydrophobicContact CB-CD1 3.89Å; L438-L523 HydrophobicContact CB-CD2 4.36Å; L438-L523 HydrophobicContact CB-CG 3.84Å; L438-L523 HydrophobicContact CD1-CD2 3.81Å; L438-L523 HydrophobicContact CD1-CG 3.91Å; L439-L523 HydrophobicContact CD2-CD1 3.62Å; L439-L523 HydrophobicContact CG-CD1 3.81Å; F469-L523 HydrophobicContact CD2-CD1 4.33Å; F469-L523 HydrophobicContact CE2-CB 4.42Å; F469-L523 HydrophobicContact CE2-CD1 4.32Å; F469-L523 HydrophobicContact CZ-CB 4.3Å; F504-L523 HydrophobicContact CB-CD2 3.92Å; F504-L523 HydrophobicContact CD2-CD1 4.28Å
524C89.1Confident88.9Confident4 Ų450.9 Ų50.93%0.02728%0.276CS..SBendtrans-112.7143-179.669.50000112.4P445 F469 A476 V477 S522P445-C524 WeakPolarHBondContact CG-SG 3.36Å; F469-C524 HydrophobicContact CE1-CB 4.04Å; F469-C524 HydrophobicContact CZ-CB 4.23Å; A476-C524 WeakPolarHBondContact O-CA 3.36Å; V477-C524 HydrophobicContact CG2-CB 3.64Å; S522-C524 PolarHBondContact OG-N 3.15Å; S522-C524 VanDerWaalsContact OG-N 3.12Å; S522-C524 PolarHBondContact OG-O 3.28Å
525L90.2Very high89.2Confident3 Ų349 Ų492%0.01626%0.263CS..EExtended strand (participates in β ladder)trans-95.5121170.3-17767.7000108.5A475 A476 L507 L527 F556 L570 F571 F576A475-L525 CarbonylContact C-O 3.59Å; A475-L525 WeakPolarHBondContact CA-O 3.3Å; A476-L525 PolarHBondContact N-O 2.85Å; A476-L525 PolarHBondContact O-N 2.88Å; L507-L525 HydrophobicContact CD1-CB 3.69Å; L507-L525 HydrophobicContact CD1-CD1 4.13Å; L525-L527 HydrophobicContact CD2-CD2 4.43Å; L525-F556 HydrophobicContact CD1-CE2 4.05Å; L525-F556 HydrophobicContact CD1-CZ 4.14Å; L525-F556 HydrophobicContact CD2-CE1 4.48Å; L525-F556 HydrophobicContact CD2-CE2 4.21Å; L525-F556 HydrophobicContact CD2-CZ 4.08Å; L525-F556 HydrophobicContact CG-CE2 4.21Å; L525-F556 HydrophobicContact CG-CZ 4.45Å; L525-L570 HydrophobicContact CD2-CB 3.87Å; L525-L570 HydrophobicContact CD2-CD2 4.35Å; L525-F571 HydrophobicContact CB-CE1 4.03Å; L525-F571 HydrophobicContact CB-CZ 3.87Å; L525-F571 HydrophobicContact CD2-CZ 4.39Å; L525-F576 HydrophobicContact CD1-CD1 3.84Å; L525-F576 HydrophobicContact CD1-CE1 3.45Å; L525-F576 VanDerWaalsContact CD1-CE1 3.45Å; L525-F576 HydrophobicContact CD1-CZ 4.35Å
526L90.3Very high89.2Confident18 Ų1847.1 Ų47.19%0.09426%0.255CS..EExtended strand (participates in β ladder)trans-83.7130.5175.3-62.1172.2000108.8P445 F446 A475 G528 W554P445-L526 HydrophobicContact CB-CD1 4.09Å; P445-L526 HydrophobicContact CB-CD2 4.21Å; P445-L526 WeakPolarHBondContact O-CD1 3.47Å; F446-L526 HydrophobicContact CD2-CD2 4.43Å; F446-L526 HydrophobicContact CE1-CD2 4.28Å; F446-L526 HydrophobicContact CE2-CD2 3.81Å; F446-L526 HydrophobicContact CZ-CD2 3.73Å; A475-L526 HydrophobicContact CB-CD2 3.77Å; L526-G528 VanDerWaalsContact C-N 3.32Å; L526-W554 WeakPolarHBondContact O-CH2 3.41Å; L526-W554 VanDerWaalsContact O-CZ3 3.32Å; L526-W554 WeakPolarHBondContact O-CZ3 3.36Å
527L90.2Very high89.2Confident10 Ų1044.8 Ų44.85%0.05225%0.248CC..  trans-83.9-9-172.7-58.7177.3000112.9N474 A476 F491 L525 F556 L570N474-L527 WeakPolarHBondContact O-CB 3.44Å; N474-L527 PolarHBondContact O-N 3.19Å; A476-L527 HydrophobicContact CB-CD2 4.26Å; F491-L527 HydrophobicContact CD1-CD1 4.04Å; F491-L527 HydrophobicContact CE1-CD1 4.1Å; L525-L527 HydrophobicContact CD2-CD2 4.43Å; L527-F556 HydrophobicContact CB-CB 4.31Å; L527-F556 HydrophobicContact CD2-CB 4.06Å; L527-F556 HydrophobicContact CD2-CD2 4.34Å; L527-F556 HydrophobicContact CD2-CG 4.31Å; L527-F556 PolarHBondContact O-N 2.85Å; L527-L570 HydrophobicContact CD2-CD1 3.97Å; L527-L570 HydrophobicContact CD2-CD2 3.97Å
528G85.8Confident89.2Confident8 Ų841 Ų418%0.08222%0.224CC..SBendtrans76.4178.2-17600000112.6N474 L526N474-G528 PolarHBondContact ND2-O 3.09Å; L526-G528 VanDerWaalsContact C-N 3.32Å
529P90.5Very high89.4Confident118 Ų11840.2 Ų40.277%0.76622%0.216SC*.SBendcis-70.6131.814.828.1-34.9000111.8W554P529-W554 WeakPolarHBondContact CA-O 3.37Å
530D90.8Very high89.5Confident32 Ų3236.9 Ų36.917%0.17120%0.196CC..EExtended strand (participates in β ladder)trans-150.8175179.3-173.721.6000109.4R449 N553 W554R449-D530 IonicContact CZ-OD2 3.27Å; R449-D530 VanDerWaalsContact NH1-CG 3.31Å; R449-D530 IonicContact NH1-OD1 2.84Å; R449-D530 PolarHBondContact NH1-OD1 2.89Å; R449-D530 IonicContact NH1-OD2 2.79Å; R449-D530 PolarHBondContact NH1-OD2 2.82Å; R449-D530 IonicContact NH2-OD2 3.84Å; R449-D530 PolarHBondContact NH2-OD2 2.88Å; D530-N553 WeakPolarHBondContact O-CA 3.3Å; D530-W554 HydrophobicContact CB-CD2 4.45Å; D530-W554 HydrophobicContact CB-CH2 3.91Å; D530-W554 HydrophobicContact CB-CZ2 3.6Å; D530-W554 HydrophobicContact CB-CZ3 4.45Å; D530-W554 PolarHBondContact N-O 2.83Å; D530-W554 PolarHBondContact O-N 2.95Å; D530-W554 VanDerWaalsContact O-O 3.13Å; D530-W554 WeakPolarHBondContact OD2-CZ2 3.46Å
531F89.9Confident89.6Confident115 Ų11534.9 Ų34.950%0.50419%0.191SC..EExtended strand (participates in β ladder)trans-133.3148-179.471.6-85.4000112.7T533 S551 Y552 N553F531-T533 HydrophobicContact CD2-CG2 4.22Å; F531-T533 HydrophobicContact CE2-CG2 4.32Å; F531-S551 WeakPolarHBondContact CD2-OG 3.42Å; F531-Y552 CarbonylContact C-O 3.53Å; F531-Y552 WeakPolarHBondContact CA-O 3.23Å; F531-N553 WeakPolarHBondContact CB-OD1 3.46Å
532C89.5Confident89.7Confident13 Ų1335.6 Ų35.69%0.08820%0.2CC..EExtended strand (participates in β ladder)trans-125.8138.7171.565.60000110.1Y552 V577C532-Y552 PolarHBondContact N-O 2.79Å; C532-Y552 PolarHBondContact O-N 2.81Å; C532-V577 HydrophobicContact CB-CG1 4.2Å
533T90.6Very high89.4Confident17 Ų1741.3 Ų41.310%0.10422%0.223CC..EExtended strand (participates in β ladder)trans-109.9138.4-178.740.40000111K513 K515 F531 L550 S551K513-T533 VanDerWaalsContact CE-CB 3.46Å; K513-T533 WeakPolarHBondContact CE-OG1 3.48Å; K515-T533 WeakPolarHBondContact CE-O 3.4Å; K515-T533 PolarHBondContact NZ-O 2.85Å; F531-T533 HydrophobicContact CD2-CG2 4.22Å; F531-T533 HydrophobicContact CE2-CG2 4.32Å; T533-L550 CarbonylContact C-O 3.59Å; T533-L550 VanDerWaalsContact CA-O 3.24Å; T533-L550 WeakPolarHBondContact CA-O 3.49Å; T533-S551 WeakPolarHBondContact CG2-OG 3.44Å
534D92.9Very high89.1Confident13 Ų1342.4 Ų42.47%0.0723%0.233CC..EExtended strand (participates in β ladder)trans-136.6157.4177.9-165.418.2000110.9P514 K515 L550 Y552 C581P514-D534 WeakPolarHBondContact CA-OD1 3.22Å; K515-D534 HydrophobicContact CG-CB 3.96Å; K515-D534 WeakPolarHBondContact CG-OD1 3.39Å; K515-D534 PolarHBondContact N-OD1 3.17Å; D534-L550 PolarHBondContact N-O 3.28Å; D534-L550 PolarHBondContact O-N 2.62Å; D534-Y552 HydrophobicContact CB-CE2 3.94Å; D534-C581 HydrophobicContact CB-CB 4.46Å
535V93.1Very high89.1Confident30 Ų3048.7 Ų48.718%0.18226%0.256CS..EExtended strand (participates in β ladder)trans-114.8112.8175.5174.30000107.9K513 P514 S547 L548 Q549K513-V535 HydrophobicContact CB-CG2 3.85Å; K513-V535 HydrophobicContact CG-CG2 4.49Å; P514-V535 HydrophobicContact CB-CB 4.36Å; P514-V535 WeakPolarHBondContact CB-O 3.43Å; V535-S547 WeakPolarHBondContact CG1-OG 3.31Å; V535-L548 CarbonylContact C-O 3.56Å; V535-L548 WeakPolarHBondContact CA-O 3.32Å; V535-Q549 HydrophobicContact CG2-CB 4.48Å; V535-Q549 HydrophobicContact CG2-CG 4.27Å
536V89.8Confident89Confident4 Ų448.6 Ų48.62%0.02426%0.256CS..EExtended strand (participates in β ladder)trans-110.7120.4-178.1-174.30000108.8V538 L548 L550 A585 R589V536-V538 HydrophobicContact CG1-CG1 3.86Å; V536-L548 PolarHBondContact N-O 3.48Å; V536-L548 WeakPolarHBondContact O-CB 3.33Å; V536-L548 PolarHBondContact O-N 2.91Å; V536-L550 HydrophobicContact CG2-CD1 4.38Å; V536-A585 HydrophobicContact CB-CB 4.48Å; V536-A585 HydrophobicContact CG1-CB 3.85Å; V536-A585 HydrophobicContact CG2-CB 3.71Å; V536-R589 HydrophobicContact CG1-CG 4.31Å
537I90.5Very high89.1Confident86 Ų8649.2 Ų49.244%0.44126%0.262SS..EExtended strand (participates in β ladder)trans-84.4123.8170.7-57.4173.3000107.9L546 V645I537-L546 WeakPolarHBondContact CA-O 3.33Å; I537-V645 HydrophobicContact CG2-CG2 4.43Å
538V89.8Confident89.1Confident4 Ų448.7 Ų48.72%0.02426%0.259CS..EExtended strand (participates in β ladder)trans-123160.7178.7-56.90000110.1V536 R545 L546 L548 V588 R589 V592V536-V538 HydrophobicContact CG1-CG1 3.86Å; V538-R545 WeakPolarHBondContact O-CA 3.45Å; V538-L546 HydrophobicContact CG2-CB 3.89Å; V538-L546 PolarHBondContact N-O 3.5Å; V538-L546 PolarHBondContact O-N 3.27Å; V538-L548 HydrophobicContact CB-CD1 4.36Å; V538-L548 HydrophobicContact CG1-CD1 3.69Å; V538-L548 HydrophobicContact CG1-CG 4.26Å; V538-L548 HydrophobicContact CG2-CD1 3.68Å; V538-L548 HydrophobicContact CG2-CD2 4.23Å; V538-L548 HydrophobicContact CG2-CG 3.77Å; V538-V588 HydrophobicContact CG1-CG1 4.21Å; V538-R589 HydrophobicContact CG1-CG 3.91Å; V538-V592 HydrophobicContact CB-CB 4.28Å; V538-V592 HydrophobicContact CB-CG1 4.05Å; V538-V592 HydrophobicContact CG2-CB 4.37Å; V538-V592 HydrophobicContact CG2-CG1 3.76Å; V538-V592 HydrophobicContact CG2-CG2 4.49Å
539E89.3Confident89.5Confident92 Ų9250.8 Ų50.843%0.4327%0.267SS..EExtended strand (participates in β ladder)trans-126.7130.8174.8-168.2174.1156.600108H543 A544 R545 A593E539-H543 IonicContact OE1-CE1 3.89Å; E539-H543 IonicContact OE1-CG 3.61Å; E539-H543 IonicContact OE1-ND1 2.81Å; E539-H543 PolarHBondContact OE1-ND1 3.04Å; E539-A544 WeakPolarHBondContact CA-O 3.12Å; E539-R545 HydrophobicContact CG-CG 4.31Å; E539-A593 WeakPolarHBondContact O-CA 3.21Å
540T88.6Confident89.5Confident4 Ų445.2 Ų45.23%0.02523%0.23CC..  trans-80.1171.4177.662.80000111.1D542 H543 A544 L546 V592 V595T540-D542 PolarHBondContact O-N 3.32Å; T540-D542 VanDerWaalsContact O-N 3.11Å; T540-H543 PolarHBondContact O-N 3.37Å; T540-A544 HydrophobicContact CG2-CB 4.42Å; T540-A544 PolarHBondContact N-O 2.76Å; T540-A544 VanDerWaalsContact OG1-CB 3.27Å; T540-A544 WeakPolarHBondContact OG1-CB 3.3Å; T540-A544 PolarHBondContact OG1-N 2.8Å; T540-A544 VanDerWaalsContact OG1-N 3.13Å; T540-A544 PolarHBondContact OG1-O 3.36Å; T540-L546 HydrophobicContact CG2-CD1 3.82Å; T540-L546 HydrophobicContact CG2-CG 4.44Å; T540-V592 HydrophobicContact CG2-CG1 3.89Å; T540-V595 WeakPolarHBondContact CB-O 3.26Å
541A88.3Confident89.6Confident38 Ų3843.9 Ų43.931%0.31422%0.223SC..THydrogen-bonded Turntrans-59.3-21.417600000113.8A593 V595A541-A593 WeakPolarHBondContact CA-O 3.33Å; A541-A593 WeakPolarHBondContact CB-O 3.06Å; A541-V595 WeakPolarHBondContact CB-O 3.33Å; A541-V595 PolarHBondContact N-O 2.94Å
542D88Confident89.7Confident109 Ų10938.4 Ų38.458%0.58320%0.199SC*.THydrogen-bonded Turntrans-102.627.1177.8-143.213.8000112.4T540 A544 Q596T540-D542 PolarHBondContact O-N 3.32Å; T540-D542 VanDerWaalsContact O-N 3.11Å; D542-A544 PolarHBondContact O-N 3.28Å; D542-Q596 VanDerWaalsContact CB-OE1 3.31Å
543H81.3Confident89.9Confident144 Ų14439.9 Ų39.967%0.66721%0.206SC*.  trans58.820.5176.8-58.7-67000115.3E539 T540 R545E539-H543 IonicContact OE1-CE1 3.89Å; E539-H543 IonicContact OE1-CG 3.61Å; E539-H543 IonicContact OE1-ND1 2.81Å; E539-H543 PolarHBondContact OE1-ND1 3.04Å; T540-H543 PolarHBondContact O-N 3.37Å; H543-R545 PolarHBondContact O-N 3.29Å
544A83Confident90.1Very high28 Ų2839.5 Ų39.523%0.23120%0.203CC..  trans-79.7119.4174.100000109.6E539 T540 D542 F597E539-A544 WeakPolarHBondContact CA-O 3.12Å; T540-A544 HydrophobicContact CG2-CB 4.42Å; T540-A544 PolarHBondContact N-O 2.76Å; T540-A544 VanDerWaalsContact OG1-CB 3.27Å; T540-A544 WeakPolarHBondContact OG1-CB 3.3Å; T540-A544 PolarHBondContact OG1-N 2.8Å; T540-A544 VanDerWaalsContact OG1-N 3.13Å; T540-A544 PolarHBondContact OG1-O 3.36Å; D542-A544 PolarHBondContact O-N 3.28Å; A544-F597 HydrophobicContact CB-CB 4.04Å; A544-F597 HydrophobicContact CB-CD2 3.99Å; A544-F597 HydrophobicContact CB-CG 4.19Å
545R88.8Confident90.1Very high136 Ų13640.8 Ų40.851%0.51321%0.211SC..EExtended strand (participates in β ladder)trans-87.2120.2178.8-67.1-178.664.8-158.3-0.4110.5V538 E539 H543 V645V538-R545 WeakPolarHBondContact O-CA 3.45Å; E539-R545 HydrophobicContact CG-CG 4.31Å; H543-R545 PolarHBondContact O-N 3.29Å; R545-V645 HydrophobicContact CB-CB 4.08Å; R545-V645 HydrophobicContact CB-CG2 4.09Å; R545-V645 PolarHBondContact O-N 3.42Å
546L88.3Confident90.1Very high2 Ų239.8 Ų39.81%0.0121%0.205CC..EExtended strand (participates in β ladder)trans-120.7137.6-177.8-51.5176.9000110.2I537 V538 T540 L548 F597 F600 V642 E643 P644I537-L546 WeakPolarHBondContact CA-O 3.33Å; V538-L546 HydrophobicContact CG2-CB 3.89Å; V538-L546 PolarHBondContact N-O 3.5Å; V538-L546 PolarHBondContact O-N 3.27Å; T540-L546 HydrophobicContact CG2-CD1 3.82Å; T540-L546 HydrophobicContact CG2-CG 4.44Å; L546-L548 HydrophobicContact CB-CD2 4.23Å; L546-F597 HydrophobicContact CD1-CD2 4.1Å; L546-F597 HydrophobicContact CD1-CE2 4.31Å; L546-F597 HydrophobicContact CD2-CD2 3.96Å; L546-F597 HydrophobicContact CD2-CE2 3.69Å; L546-F600 HydrophobicContact CD1-CD1 3.4Å; L546-F600 HydrophobicContact CD1-CE1 3.44Å; L546-F600 VanDerWaalsContact CD1-CE1 3.44Å; L546-V642 HydrophobicContact CD1-CG1 4.25Å; L546-E643 CarbonylContact C-O 3.58Å; L546-E643 WeakPolarHBondContact CA-O 3.41Å; L546-P644 HydrophobicContact CD2-CB 4.31Å
547S91.5Very high90Very high30 Ų3044.2 Ų44.221%0.2123%0.228CC..EExtended strand (participates in β ladder)trans-95.5111.2168.7-177.10000108.2V535 E643V535-S547 WeakPolarHBondContact CG1-OG 3.31Å; S547-E643 PolarHBondContact N-O 2.97Å; S547-E643 PolarHBondContact O-N 3.23Å
548L90.8Very high89.5Confident0 Ų041.2 Ų41.20%021%0.214CC..EExtended strand (participates in β ladder)trans-98.2119.5178.1-52-177.6000109.4V535 V536 V538 L546 L550 V588 F600 I608 V642V535-L548 CarbonylContact C-O 3.56Å; V535-L548 WeakPolarHBondContact CA-O 3.32Å; V536-L548 PolarHBondContact N-O 3.48Å; V536-L548 WeakPolarHBondContact O-CB 3.33Å; V536-L548 PolarHBondContact O-N 2.91Å; V538-L548 HydrophobicContact CB-CD1 4.36Å; V538-L548 HydrophobicContact CG1-CD1 3.69Å; V538-L548 HydrophobicContact CG1-CG 4.26Å; V538-L548 HydrophobicContact CG2-CD1 3.68Å; V538-L548 HydrophobicContact CG2-CD2 4.23Å; V538-L548 HydrophobicContact CG2-CG 3.77Å; L546-L548 HydrophobicContact CB-CD2 4.23Å; L548-L550 HydrophobicContact CB-CD1 4.46Å; L548-L550 HydrophobicContact CB-CD2 4.19Å; L548-L550 HydrophobicContact CB-CG 4.09Å; L548-V588 HydrophobicContact CD1-CG1 3.78Å; L548-F600 HydrophobicContact CD1-CZ 4.06Å; L548-F600 HydrophobicContact CD2-CE1 3.84Å; L548-F600 HydrophobicContact CD2-CZ 3.79Å; L548-I608 HydrophobicContact CD1-CD1 4.17Å; L548-V642 HydrophobicContact CD2-CB 4.17Å; L548-V642 HydrophobicContact CD2-CG1 3.72Å; L548-V642 HydrophobicContact CD2-CG2 3.87Å
549Q93.3Very high89Confident52 Ų5244 Ų4424%0.24323%0.234CC..EExtended strand (participates in β ladder)trans-92.5108.8167.9-170.5168.9-34.700109V535 Q640 S641V535-Q549 HydrophobicContact CG2-CB 4.48Å; V535-Q549 HydrophobicContact CG2-CG 4.27Å; Q549-Q640 HydrophobicContact CB-CB 4.24Å; Q549-Q640 HydrophobicContact CG-CB 4.08Å; Q549-Q640 PolarHBondContact O-N 2.85Å; Q549-S641 WeakPolarHBondContact CB-OG 3.26Å; Q549-S641 PolarHBondContact N-O 3.09Å; Q549-S641 PolarHBondContact O-N 2.85Å
550L92Very high88.1Confident0 Ų044.9 Ų44.90%025%0.247CC..EExtended strand (participates in β ladder)trans-111.1141.1-175.8-57.5-179.9000110.1T533 D534 V536 L548 Y552 V588 I608 V639T533-L550 CarbonylContact C-O 3.59Å; T533-L550 VanDerWaalsContact CA-O 3.24Å; T533-L550 WeakPolarHBondContact CA-O 3.49Å; D534-L550 PolarHBondContact N-O 3.28Å; D534-L550 PolarHBondContact O-N 2.62Å; V536-L550 HydrophobicContact CG2-CD1 4.38Å; L548-L550 HydrophobicContact CB-CD1 4.46Å; L548-L550 HydrophobicContact CB-CD2 4.19Å; L548-L550 HydrophobicContact CB-CG 4.09Å; L550-Y552 HydrophobicContact CB-CE1 3.64Å; L550-Y552 HydrophobicContact CD1-CE1 4.12Å; L550-Y552 WeakPolarHBondContact CD1-OH 3.39Å; L550-V588 HydrophobicContact CD1-CG2 4.28Å; L550-I608 HydrophobicContact CD1-CG2 4.4Å; L550-I608 HydrophobicContact CD2-CD1 4.09Å; L550-I608 HydrophobicContact CD2-CG2 4.15Å; L550-V639 HydrophobicContact CD2-CB 4.35Å; L550-V639 HydrophobicContact CD2-CG1 4.19Å; L550-V639 HydrophobicContact CD2-CG2 3.99Å
551S93Very high87.5Confident4 Ų449.9 Ų49.93%0.02828%0.282CS..EExtended strand (participates in β ladder)trans-116.7130.2171.2-165.70000109F531 T533 V637 D638F531-S551 WeakPolarHBondContact CD2-OG 3.42Å; T533-S551 WeakPolarHBondContact CG2-OG 3.44Å; S551-V637 CarbonylContact O-C 3.21Å; S551-V637 WeakPolarHBondContact O-CA 3.06Å; S551-D638 PolarHBondContact N-O 2.99Å; S551-D638 PolarHBondContact O-N 3.47Å
552Y92.2Very high87Confident0 Ų049.4 Ų49.40%028%0.276CS..EExtended strand (participates in β ladder)trans-114118.4-179.6-44.7-58.4000108.5F531 C532 D534 L550 C581 I584 V637F531-Y552 CarbonylContact C-O 3.53Å; F531-Y552 WeakPolarHBondContact CA-O 3.23Å; C532-Y552 PolarHBondContact N-O 2.79Å; C532-Y552 PolarHBondContact O-N 2.81Å; D534-Y552 HydrophobicContact CB-CE2 3.94Å; L550-Y552 HydrophobicContact CB-CE1 3.64Å; L550-Y552 HydrophobicContact CD1-CE1 4.12Å; L550-Y552 WeakPolarHBondContact CD1-OH 3.39Å; Y552-C581 HydrophobicContact CE2-CB 4.43Å; Y552-I584 HydrophobicContact CD1-CD1 3.93Å; Y552-I584 HydrophobicContact CD1-CG2 4.24Å; Y552-I584 HydrophobicContact CD2-CD1 4.14Å; Y552-I584 HydrophobicContact CE1-CB 4.38Å; Y552-I584 HydrophobicContact CE1-CD1 4.14Å; Y552-I584 HydrophobicContact CE1-CG2 3.46Å; Y552-I584 VanDerWaalsContact CE1-CG2 3.46Å; Y552-I584 HydrophobicContact CE2-CD1 4.33Å; Y552-I584 HydrophobicContact CG-CD1 3.92Å; Y552-V637 HydrophobicContact CD1-CB 4.46Å; Y552-V637 HydrophobicContact CD1-CG1 3.92Å; Y552-V637 HydrophobicContact CD1-CG2 4.04Å; Y552-V637 HydrophobicContact CE1-CG1 3.97Å
553N93.5Very high86.7Confident44 Ų4447 Ų4724%0.23527%0.268CS..EExtended strand (participates in β ladder)trans-85.1130.6171.7-65.3-19.5000108.3D530 F531 I634 T635 S636D530-N553 WeakPolarHBondContact O-CA 3.3Å; F531-N553 WeakPolarHBondContact CB-OD1 3.46Å; N553-I634 CarbonylContact O-C 3.5Å; N553-I634 WeakPolarHBondContact O-CA 3.38Å; N553-T635 PolarHBondContact O-N 3.08Å; N553-T635 PolarHBondContact O-OG1 3.03Å; N553-S636 WeakPolarHBondContact CB-OG 3.36Å; N553-S636 PolarHBondContact N-O 2.9Å; N553-S636 PolarHBondContact ND2-OG 2.79Å
554W93.6Very high86.6Confident10 Ų1044.3 Ų44.34%0.03827%0.271CS..EExtended strand (participates in β ladder)trans-139.3154.3-172.662.7-96000112.5L526 P529 D530 F556 F576 L632 H633 I634L526-W554 WeakPolarHBondContact O-CH2 3.41Å; L526-W554 VanDerWaalsContact O-CZ3 3.32Å; L526-W554 WeakPolarHBondContact O-CZ3 3.36Å; P529-W554 WeakPolarHBondContact CA-O 3.37Å; D530-W554 HydrophobicContact CB-CD2 4.45Å; D530-W554 HydrophobicContact CB-CH2 3.91Å; D530-W554 HydrophobicContact CB-CZ2 3.6Å; D530-W554 HydrophobicContact CB-CZ3 4.45Å; D530-W554 PolarHBondContact N-O 2.83Å; D530-W554 PolarHBondContact O-N 2.95Å; D530-W554 VanDerWaalsContact O-O 3.13Å; D530-W554 WeakPolarHBondContact OD2-CZ2 3.46Å; W554-F556 HydrophobicContact CE3-CD2 4.13Å; W554-F556 HydrophobicContact CE3-CE2 4.1Å; W554-F556 HydrophobicContact CH2-CE2 4.45Å; W554-F556 AromaticContact CZ3-CD2 3.72Å; W554-F556 HydrophobicContact CZ3-CD2 3.72Å; W554-F556 AromaticContact CZ3-CE2 3.64Å; W554-F556 HydrophobicContact CZ3-CE2 3.64Å; W554-F576 HydrophobicContact CD2-CE2 4.1Å; W554-F576 HydrophobicContact CE3-CE2 4.11Å; W554-F576 HydrophobicContact CE3-CZ 4.43Å; W554-F576 HydrophobicContact CH2-CE2 4.19Å; W554-F576 AromaticContact CH2-CZ 3.73Å; W554-F576 HydrophobicContact CH2-CZ 3.73Å; W554-F576 HydrophobicContact CZ2-CE2 4.14Å; W554-F576 AromaticContact CZ2-CZ 3.85Å; W554-F576 HydrophobicContact CZ2-CZ 3.85Å; W554-F576 HydrophobicContact CZ3-CE2 4.17Å; W554-F576 HydrophobicContact CZ3-CZ 4.04Å; W554-L632 HydrophobicContact CB-CD1 3.98Å; W554-L632 HydrophobicContact CD2-CD1 4.19Å; W554-L632 HydrophobicContact CE3-CD1 3.8Å; W554-L632 HydrophobicContact CG-CD1 4.3Å; W554-H633 CarbonylContact C-O 3.6Å; W554-H633 WeakPolarHBondContact CA-O 3.37Å; W554-I634 HydrophobicContact CB-CD1 3.77Å
555V94.1Very high86.5Confident40 Ų4046.3 Ų46.324%0.24229%0.287CS..EExtended strand (participates in β ladder)trans-150.9146.8176.265.70000109.3H633 T635V555-H633 HydrophobicContact CG1-CB 4.05Å; V555-H633 PolarHBondContact N-O 2.97Å; V555-H633 WeakPolarHBondContact O-CB 3.29Å; V555-H633 PolarHBondContact O-N 3.01Å; V555-T635 HydrophobicContact CG1-CG2 3.88Å
556F92.3Very high86.2Confident9 Ų942.3 Ų42.34%0.03928%0.276CS..EExtended strand (participates in β ladder)trans-89.1121.3168.8-74.7-83.9000109.5L525 L527 W554 V558 L570 F576 N630 L632L525-F556 HydrophobicContact CD1-CE2 4.05Å; L525-F556 HydrophobicContact CD1-CZ 4.14Å; L525-F556 HydrophobicContact CD2-CE1 4.48Å; L525-F556 HydrophobicContact CD2-CE2 4.21Å; L525-F556 HydrophobicContact CD2-CZ 4.08Å; L525-F556 HydrophobicContact CG-CE2 4.21Å; L525-F556 HydrophobicContact CG-CZ 4.45Å; L527-F556 HydrophobicContact CB-CB 4.31Å; L527-F556 HydrophobicContact CD2-CB 4.06Å; L527-F556 HydrophobicContact CD2-CD2 4.34Å; L527-F556 HydrophobicContact CD2-CG 4.31Å; L527-F556 PolarHBondContact O-N 2.85Å; W554-F556 HydrophobicContact CE3-CD2 4.13Å; W554-F556 HydrophobicContact CE3-CE2 4.1Å; W554-F556 HydrophobicContact CH2-CE2 4.45Å; W554-F556 AromaticContact CZ3-CD2 3.72Å; W554-F556 HydrophobicContact CZ3-CD2 3.72Å; W554-F556 AromaticContact CZ3-CE2 3.64Å; W554-F556 HydrophobicContact CZ3-CE2 3.64Å; F556-V558 PolarHBondContact O-N 3.18Å; F556-V558 VanDerWaalsContact O-N 3.14Å; F556-L570 HydrophobicContact CB-CD2 3.91Å; F556-L570 HydrophobicContact CD1-CD2 3.44Å; F556-L570 VanDerWaalsContact CD1-CD2 3.44Å; F556-L570 HydrophobicContact CE1-CD2 4.1Å; F556-L570 HydrophobicContact CG-CD2 3.81Å; F556-F576 HydrophobicContact CE2-CD1 4.47Å; F556-F576 HydrophobicContact CE2-CD2 4.3Å; F556-F576 HydrophobicContact CE2-CE1 4.15Å; F556-F576 AromaticContact CE2-CE2 3.95Å; F556-F576 HydrophobicContact CE2-CE2 3.95Å; F556-F576 AromaticContact CE2-CZ 3.87Å; F556-F576 HydrophobicContact CE2-CZ 3.87Å; F556-F576 HydrophobicContact CZ-CB 4.47Å; F556-F576 AromaticContact CZ-CD1 3.96Å; F556-F576 HydrophobicContact CZ-CD1 3.96Å; F556-F576 AromaticContact CZ-CD2 3.85Å; F556-F576 HydrophobicContact CZ-CD2 3.85Å; F556-F576 HydrophobicContact CZ-CE1 4.11Å; F556-F576 AromaticContact CZ-CE2 3.98Å; F556-F576 HydrophobicContact CZ-CE2 3.98Å; F556-F576 AromaticContact CZ-CG 3.82Å; F556-F576 HydrophobicContact CZ-CG 3.82Å; F556-F576 HydrophobicContact CZ-CZ 4.1Å; F556-N630 VanDerWaalsContact CD1-O 3.29Å; F556-N630 WeakPolarHBondContact CD1-O 3.38Å; F556-N630 HydrophobicContact CE1-CB 4.23Å; F556-L632 HydrophobicContact CD1-CB 4.24Å; F556-L632 HydrophobicContact CD1-CD1 4.4Å; F556-L632 HydrophobicContact CD2-CD1 4.3Å; F556-L632 HydrophobicContact CE1-CB 3.93Å; F556-L632 HydrophobicContact CE1-CD1 4.09Å; F556-L632 HydrophobicContact CE2-CD1 4Å; F556-L632 HydrophobicContact CZ-CB 4.47Å; F556-L632 HydrophobicContact CZ-CD1 3.89Å
557D87.1Confident86.1Confident97 Ų9742.5 Ų42.552%0.51928%0.278SS..  trans-87.278.9179.3-166.67000110N631 H633D557-N631 PolarHBondContact N-O 2.72Å; D557-H633 IonicContact OD2-CE1 3Å; D557-H633 PolarHBondContact OD2-CE1 2.74Å; D557-H633 IonicContact OD2-ND1 3.78Å; D557-H633 IonicContact OD2-NE2 3.39Å
558V81.9Confident85.8Confident23 Ų2343.2 Ų43.214%0.13929%0.286CS..  trans-138.2126.3179.7-178.10000110.2F491 F556 C562 L570 N631F491-V558 HydrophobicContact CZ-CG1 4.28Å; F556-V558 PolarHBondContact O-N 3.18Å; F556-V558 VanDerWaalsContact O-N 3.14Å; V558-C562 HydrophobicContact CG1-CB 3.91Å; V558-C562 WeakPolarHBondContact CG1-SG 3.14Å; V558-L570 HydrophobicContact CB-CD2 4.43Å; V558-L570 HydrophobicContact CG1-CD1 4.37Å; V558-L570 HydrophobicContact CG2-CD1 4.44Å; V558-L570 HydrophobicContact CG2-CD2 3.67Å; V558-L570 HydrophobicContact CG2-CG 4.12Å; V558-N631 HydrophobicContact CG2-CB 4.05Å
559S79.1Confident85.7Confident63 Ų6347 Ų4744%0.44130%0.302SS..  trans-74.6141.6172.861.30000111S561 C562S559-S561 PolarHBondContact O-N 2.83Å; S559-S561 VanDerWaalsContact O-N 3.1Å; S559-C562 WeakPolarHBondContact O-CB 3.32Å; S559-C562 PolarHBondContact O-N 2.91Å; S559-C562 PolarHBondContact O-SG 3.44Å; S559-C562 PolarHBondContact OG-N 2.96Å
560P70.3Confident85.5Confident109 Ų10944.7 Ų44.771%0.70829%0.291SS*.THydrogen-bonded Turntrans-56.5-29.5176-25.533.7000114C562P560-C562 VanDerWaalsContact C-N 3.28Å; P560-C562 PolarHBondContact O-N 3.29Å
561S75.6Confident85.4Confident109 Ų10945.5 Ų45.576%0.76230%0.295SS*.THydrogen-bonded Turntrans-89.323.1176.753.10000113.9S559S559-S561 PolarHBondContact O-N 2.83Å; S559-S561 VanDerWaalsContact O-N 3.1Å
562C77.1Confident85.2Confident29 Ų2948.4 Ų48.420%0.19632%0.315CS..  trans-68.6164.4-179.365.50000112.7V558 S559 P560 D566V558-C562 HydrophobicContact CG1-CB 3.91Å; V558-C562 WeakPolarHBondContact CG1-SG 3.14Å; S559-C562 WeakPolarHBondContact O-CB 3.32Å; S559-C562 PolarHBondContact O-N 2.91Å; S559-C562 PolarHBondContact O-SG 3.44Å; S559-C562 PolarHBondContact OG-N 2.96Å; P560-C562 VanDerWaalsContact C-N 3.28Å; P560-C562 PolarHBondContact O-N 3.29Å; C562-D566 HydrophobicContact CB-CB 4.09Å
563S82.5Confident85.1Confident57 Ų5749.3 Ų49.340%0.39932%0.321SS..  trans-64.9150.7173.176.40000110.7A565 D566 A567S563-A565 PolarHBondContact O-N 3.12Å; S563-A565 VanDerWaalsContact O-N 3.08Å; S563-D566 PolarHBondContact O-N 3.38Å; S563-D566 VanDerWaalsContact OG-CG 3.29Å; S563-D566 PolarHBondContact OG-N 3.06Å; S563-D566 PolarHBondContact OG-OD2 2.99Å; S563-A567 PolarHBondContact O-N 2.84Å
564A78.5Confident84.8Confident89 Ų8951.5 Ų51.574%0.73634%0.338SS*.Hα-helixtrans-55.7-28.917500000112.7A568A564-A568 WeakPolarHBondContact O-CB 3.33Å; A564-A568 PolarHBondContact O-N 3.03Å; A564-A568 VanDerWaalsContact O-N 3.09Å
565A80.7Confident84.7Confident69 Ų6952.5 Ų52.557%0.5734%0.344SS*.Hα-helixtrans-70.2-38.517600000112.6S563 K569S563-A565 PolarHBondContact O-N 3.12Å; S563-A565 VanDerWaalsContact O-N 3.08Å; A565-K569 PolarHBondContact O-N 3.2Å
566D83.6Confident84.6Confident52 Ų5251 Ų5128%0.27833%0.334SS..Hα-helixtrans-73.9-37.7176.2-65-45.9000111.7C562 S563 A568 K569C562-D566 HydrophobicContact CB-CB 4.09Å; S563-D566 PolarHBondContact O-N 3.38Å; S563-D566 VanDerWaalsContact OG-CG 3.29Å; S563-D566 PolarHBondContact OG-N 3.06Å; S563-D566 PolarHBondContact OG-OD2 2.99Å; D566-A568 VanDerWaalsContact C-N 3.27Å; D566-A568 PolarHBondContact O-N 2.89Å; D566-K569 WeakPolarHBondContact O-CB 3.41Å; D566-K569 PolarHBondContact O-N 3.29Å; D566-K569 VanDerWaalsContact O-N 3.13Å; D566-K569 IonicContact OD1-NZ 2.76Å; D566-K569 PolarHBondContact OD1-NZ 3.31Å
567A85Confident84.5Confident6 Ų651.1 Ų51.15%0.0534%0.335CS..Hα-helixtrans-60.3-38.717300000111.7V489 F491 S563 K569 L570V489-A567 HydrophobicContact CB-CB 3.91Å; V489-A567 HydrophobicContact CG1-CB 4.21Å; V489-A567 HydrophobicContact CG2-CB 4.23Å; F491-A567 HydrophobicContact CE2-CB 3.88Å; F491-A567 HydrophobicContact CZ-CB 3.89Å; S563-A567 PolarHBondContact O-N 2.84Å; A567-K569 VanDerWaalsContact C-N 3.27Å; A567-K569 PolarHBondContact O-N 2.92Å; A567-L570 WeakPolarHBondContact O-CB 3.41Å; A567-L570 PolarHBondContact O-N 3.46Å
568A86Confident84.7Confident46 Ų4646.6 Ų46.638%0.3831%0.312SS..Hα-helixtrans-64.7-27.917700000113.4A564 D566 L570 F571 S572A564-A568 WeakPolarHBondContact O-CB 3.33Å; A564-A568 PolarHBondContact O-N 3.03Å; A564-A568 VanDerWaalsContact O-N 3.09Å; D566-A568 VanDerWaalsContact C-N 3.27Å; D566-A568 PolarHBondContact O-N 2.89Å; A568-L570 VanDerWaalsContact C-N 3.26Å; A568-L570 PolarHBondContact O-N 3.01Å; A568-F571 PolarHBondContact O-N 2.87Å; A568-S572 PolarHBondContact O-N 3Å
569K88.4Confident85.1Confident80 Ų8049 Ų4935%0.34832%0.323SS..Hα-helixtrans-62.5-33.1177.4-70.1173.9-174.11600112.4A565 D566 A567 F571 S572 Q629 N630A565-K569 PolarHBondContact O-N 3.2Å; D566-K569 WeakPolarHBondContact O-CB 3.41Å; D566-K569 PolarHBondContact O-N 3.29Å; D566-K569 VanDerWaalsContact O-N 3.13Å; D566-K569 IonicContact OD1-NZ 2.76Å; D566-K569 PolarHBondContact OD1-NZ 3.31Å; A567-K569 VanDerWaalsContact C-N 3.27Å; A567-K569 PolarHBondContact O-N 2.92Å; K569-F571 PolarHBondContact O-N 3.27Å; K569-F571 VanDerWaalsContact O-N 3.13Å; K569-S572 VanDerWaalsContact O-CB 3.31Å; K569-S572 WeakPolarHBondContact O-CB 3.5Å; K569-S572 PolarHBondContact O-N 3.34Å; K569-S572 PolarHBondContact O-OG 2.65Å; K569-Q629 WeakPolarHBondContact CB-O 3.31Å; K569-N630 WeakPolarHBondContact O-CA 3.48Å; K569-N630 WeakPolarHBondContact O-CB 3.48Å
570L88.9Confident85.7Confident2 Ų246.1 Ų46.11%0.0130%0.304CS..THydrogen-bonded Turntrans-53.5-35.1178.3-71.1171.6000112.5A476 F491 L525 L527 F556 V558 A567 A568A476-L570 HydrophobicContact CB-CD1 4.27Å; F491-L570 HydrophobicContact CE1-CD1 3.7Å; F491-L570 HydrophobicContact CZ-CD1 3.87Å; L525-L570 HydrophobicContact CD2-CB 3.87Å; L525-L570 HydrophobicContact CD2-CD2 4.35Å; L527-L570 HydrophobicContact CD2-CD1 3.97Å; L527-L570 HydrophobicContact CD2-CD2 3.97Å; F556-L570 HydrophobicContact CB-CD2 3.91Å; F556-L570 HydrophobicContact CD1-CD2 3.44Å; F556-L570 VanDerWaalsContact CD1-CD2 3.44Å; F556-L570 HydrophobicContact CE1-CD2 4.1Å; F556-L570 HydrophobicContact CG-CD2 3.81Å; V558-L570 HydrophobicContact CB-CD2 4.43Å; V558-L570 HydrophobicContact CG1-CD1 4.37Å; V558-L570 HydrophobicContact CG2-CD1 4.44Å; V558-L570 HydrophobicContact CG2-CD2 3.67Å; V558-L570 HydrophobicContact CG2-CG 4.12Å; A567-L570 WeakPolarHBondContact O-CB 3.41Å; A567-L570 PolarHBondContact O-N 3.46Å; A568-L570 VanDerWaalsContact C-N 3.26Å; A568-L570 PolarHBondContact O-N 3.01Å
571F90.7Very high86.6Confident18 Ų1841 Ų418%0.07927%0.271CS..THydrogen-bonded Turntrans-102.45.1-177.5-65-93.5000113.5A476 Q478 V489 L507 L525 A568 K569 V573A476-F571 HydrophobicContact CB-CE2 4Å; A476-F571 HydrophobicContact CB-CZ 4.07Å; Q478-F571 HydrophobicContact CB-CB 4.5Å; Q478-F571 HydrophobicContact CB-CD1 3.6Å; Q478-F571 HydrophobicContact CB-CD2 3.89Å; Q478-F571 HydrophobicContact CB-CE1 3.68Å; Q478-F571 HydrophobicContact CB-CE2 3.96Å; Q478-F571 HydrophobicContact CB-CG 3.73Å; Q478-F571 HydrophobicContact CB-CZ 3.87Å; Q478-F571 HydrophobicContact CG-CG 4.32Å; Q478-F571 VanDerWaalsContact OE1-CB 3.23Å; V489-F571 HydrophobicContact CG1-CD2 4.43Å; V489-F571 HydrophobicContact CG1-CE2 3.74Å; V489-F571 HydrophobicContact CG2-CD2 3.93Å; V489-F571 HydrophobicContact CG2-CE2 4.02Å; L507-F571 HydrophobicContact CD1-CE1 4.1Å; L507-F571 HydrophobicContact CD2-CD1 3.79Å; L507-F571 HydrophobicContact CD2-CE1 4.02Å; L507-F571 HydrophobicContact CG-CE1 4.34Å; L525-F571 HydrophobicContact CB-CE1 4.03Å; L525-F571 HydrophobicContact CB-CZ 3.87Å; L525-F571 HydrophobicContact CD2-CZ 4.39Å; A568-F571 PolarHBondContact O-N 2.87Å; K569-F571 PolarHBondContact O-N 3.27Å; K569-F571 VanDerWaalsContact O-N 3.13Å; F571-V573 VanDerWaalsContact C-N 3.27Å; F571-V573 PolarHBondContact O-N 3.11Å
572S89Confident87.4Confident65 Ų6542.5 Ų42.546%0.45526%0.263SS..SBendtrans-68.4-27.1-179.967.70000113.3A568 K569 P574 Q629A568-S572 PolarHBondContact O-N 3Å; K569-S572 VanDerWaalsContact O-CB 3.31Å; K569-S572 WeakPolarHBondContact O-CB 3.5Å; K569-S572 PolarHBondContact O-N 3.34Å; K569-S572 PolarHBondContact O-OG 2.65Å; S572-P574 WeakPolarHBondContact O-CD 3.47Å; S572-Q629 PolarHBondContact OG-O 2.65Å
573V89.7Confident88Confident19 Ų1942.8 Ų42.812%0.11527%0.267CS..SBendtrans-110100.9177.5-176.60000108.5F571 D575 F576 D579 Q629 N630F571-V573 VanDerWaalsContact C-N 3.27Å; F571-V573 PolarHBondContact O-N 3.11Å; V573-D575 VanDerWaalsContact C-N 3.33Å; V573-D575 PolarHBondContact O-N 2.86Å; V573-F576 HydrophobicContact CG1-CB 4.3Å; V573-D579 HydrophobicContact CG1-CB 4.16Å; V573-Q629 HydrophobicContact CG2-CB 3.98Å; V573-N630 HydrophobicContact CB-CB 4.45Å; V573-N630 HydrophobicContact CG2-CB 4.13Å
574P86.1Confident88.4Confident90 Ų9040 Ų4058%0.58425%0.248SC*.THydrogen-bonded Turntrans-60.6-35.5-172.9-27.335.5000115S572S572-P574 WeakPolarHBondContact O-CD 3.47Å
575D91.2Very high88.9Confident31 Ų3136 Ų3617%0.16622%0.215CC..THydrogen-bonded Turntrans-12271.2176.9-175.910.6000110.5S508 L509 S510 V573 V577 G578 D579S508-D575 WeakPolarHBondContact O-CB 3.46Å; L509-D575 WeakPolarHBondContact CA-OD1 3.42Å; S510-D575 WeakPolarHBondContact CB-OD2 3.48Å; S510-D575 PolarHBondContact N-OD1 3.46Å; S510-D575 PolarHBondContact N-OD2 3.47Å; S510-D575 PolarHBondContact OG-OD2 2.97Å; V573-D575 VanDerWaalsContact C-N 3.33Å; V573-D575 PolarHBondContact O-N 2.86Å; D575-V577 PolarHBondContact O-N 2.98Å; D575-G578 PolarHBondContact O-N 3.38Å; D575-G578 PolarHBondContact OD1-N 3.42Å; D575-D579 WeakPolarHBondContact O-CB 3.47Å; D575-D579 PolarHBondContact O-N 3.08Å
576F92.6Very high89.3Confident8 Ų836.3 Ų36.34%0.03521%0.213CC..Hα-helixtrans-61.6-32.7-179.581.4-89.6000112.6L509 L525 W554 F556 V573 A580 N630 L632L509-F576 HydrophobicContact CD1-CE1 4.01Å; L509-F576 HydrophobicContact CD2-CD1 3.73Å; L509-F576 HydrophobicContact CD2-CE1 3.85Å; L525-F576 HydrophobicContact CD1-CD1 3.84Å; L525-F576 HydrophobicContact CD1-CE1 3.45Å; L525-F576 VanDerWaalsContact CD1-CE1 3.45Å; L525-F576 HydrophobicContact CD1-CZ 4.35Å; W554-F576 HydrophobicContact CD2-CE2 4.1Å; W554-F576 HydrophobicContact CE3-CE2 4.11Å; W554-F576 HydrophobicContact CE3-CZ 4.43Å; W554-F576 HydrophobicContact CH2-CE2 4.19Å; W554-F576 AromaticContact CH2-CZ 3.73Å; W554-F576 HydrophobicContact CH2-CZ 3.73Å; W554-F576 HydrophobicContact CZ2-CE2 4.14Å; W554-F576 AromaticContact CZ2-CZ 3.85Å; W554-F576 HydrophobicContact CZ2-CZ 3.85Å; W554-F576 HydrophobicContact CZ3-CE2 4.17Å; W554-F576 HydrophobicContact CZ3-CZ 4.04Å; F556-F576 HydrophobicContact CE2-CD1 4.47Å; F556-F576 HydrophobicContact CE2-CD2 4.3Å; F556-F576 HydrophobicContact CE2-CE1 4.15Å; F556-F576 AromaticContact CE2-CE2 3.95Å; F556-F576 HydrophobicContact CE2-CE2 3.95Å; F556-F576 AromaticContact CE2-CZ 3.87Å; F556-F576 HydrophobicContact CE2-CZ 3.87Å; F556-F576 HydrophobicContact CZ-CB 4.47Å; F556-F576 AromaticContact CZ-CD1 3.96Å; F556-F576 HydrophobicContact CZ-CD1 3.96Å; F556-F576 AromaticContact CZ-CD2 3.85Å; F556-F576 HydrophobicContact CZ-CD2 3.85Å; F556-F576 HydrophobicContact CZ-CE1 4.11Å; F556-F576 AromaticContact CZ-CE2 3.98Å; F556-F576 HydrophobicContact CZ-CE2 3.98Å; F556-F576 AromaticContact CZ-CG 3.82Å; F556-F576 HydrophobicContact CZ-CG 3.82Å; F556-F576 HydrophobicContact CZ-CZ 4.1Å; V573-F576 HydrophobicContact CG1-CB 4.3Å; F576-A580 WeakPolarHBondContact O-CB 3.39Å; F576-A580 PolarHBondContact O-N 2.89Å; F576-N630 WeakPolarHBondContact CB-ND2 3.46Å; F576-L632 HydrophobicContact CD2-CD1 3.86Å; F576-L632 HydrophobicContact CD2-CD2 3.72Å; F576-L632 HydrophobicContact CD2-CG 4.38Å; F576-L632 HydrophobicContact CE2-CD1 3.92Å; F576-L632 HydrophobicContact CE2-CD2 4.46Å
577V91.2Very high89.6Confident12 Ų1239 Ų397%0.07322%0.219CC..Hα-helixtrans-66.2-48.9179.3179.10000109.6L509 K515 C532 D575 C581L509-V577 HydrophobicContact CB-CG2 4.39Å; L509-V577 HydrophobicContact CD1-CG2 4.45Å; K515-V577 HydrophobicContact CD-CG1 4.05Å; C532-V577 HydrophobicContact CB-CG1 4.2Å; D575-V577 PolarHBondContact O-N 2.98Å; V577-C581 VanDerWaalsContact O-CB 3.32Å; V577-C581 WeakPolarHBondContact O-CB 3.43Å; V577-C581 PolarHBondContact O-N 3.45Å; V577-C581 PolarHBondContact O-SG 3.13Å
578G89.9Confident89.8Confident2 Ų238.7 Ų38.72%0.02122%0.217CC..Hα-helixtrans-63.9-42.8178.400000112.5S510 D575 K582S510-G578 WeakPolarHBondContact OG-CA 3.36Å; D575-G578 PolarHBondContact O-N 3.38Å; D575-G578 PolarHBondContact OD1-N 3.42Å; G578-K582 WeakPolarHBondContact O-CB 3.4Å; G578-K582 VanDerWaalsContact O-CG 3.26Å; G578-K582 WeakPolarHBondContact O-CG 3.48Å; G578-K582 PolarHBondContact O-N 3.15Å
579D90.8Very high90Very high72 Ų7242.3 Ų42.339%0.38522%0.221SC..Hα-helixtrans-65.4-47.9178.5-167.166.2000111.9V573 D575 K582 A583V573-D579 HydrophobicContact CG1-CB 4.16Å; D575-D579 WeakPolarHBondContact O-CB 3.47Å; D575-D579 PolarHBondContact O-N 3.08Å; D579-K582 PolarHBondContact O-N 3.38Å; D579-A583 WeakPolarHBondContact O-CB 3.41Å; D579-A583 PolarHBondContact O-N 2.99Å
580A91.1Very high90Very high4 Ų441 Ų413%0.03323%0.229CC..Hα-helixtrans-61.6-47.7177.400000112F576 K582 A583 I584 F627 L632F576-A580 WeakPolarHBondContact O-CB 3.39Å; F576-A580 PolarHBondContact O-N 2.89Å; A580-K582 VanDerWaalsContact C-N 3.35Å; A580-K582 PolarHBondContact O-N 2.93Å; A580-A583 PolarHBondContact O-N 3.11Å; A580-I584 WeakPolarHBondContact O-CB 3.38Å; A580-I584 VanDerWaalsContact O-CG1 3.23Å; A580-I584 WeakPolarHBondContact O-CG1 3.39Å; A580-I584 PolarHBondContact O-N 3.01Å; A580-F627 HydrophobicContact CB-CE2 4.12Å; A580-F627 HydrophobicContact CB-CZ 3.95Å; A580-L632 HydrophobicContact CB-CD2 3.8Å
581C90.9Very high90Very high1 Ų143 Ų431%0.00724%0.242CC..Hα-helixtrans-62.5-39.8178.2-69.20000112K515 D534 Y552 V577 A585K515-C581 HydrophobicContact CG-CB 4.17Å; D534-C581 HydrophobicContact CB-CB 4.46Å; Y552-C581 HydrophobicContact CE2-CB 4.43Å; V577-C581 VanDerWaalsContact O-CB 3.32Å; V577-C581 WeakPolarHBondContact O-CB 3.43Å; V577-C581 PolarHBondContact O-N 3.45Å; V577-C581 PolarHBondContact O-SG 3.13Å; C581-A585 WeakPolarHBondContact O-CB 3.17Å; C581-A585 PolarHBondContact O-N 2.86Å
582K90.9Very high89.8Confident141 Ų14142.2 Ų42.261%0.61324%0.238SC*.Hα-helixtrans-64.5-45.4175.2-78.8174.8-177.8173.40112.3G578 D579 A580 A585 S586G578-K582 WeakPolarHBondContact O-CB 3.4Å; G578-K582 VanDerWaalsContact O-CG 3.26Å; G578-K582 WeakPolarHBondContact O-CG 3.48Å; G578-K582 PolarHBondContact O-N 3.15Å; D579-K582 PolarHBondContact O-N 3.38Å; A580-K582 VanDerWaalsContact C-N 3.35Å; A580-K582 PolarHBondContact O-N 2.93Å; K582-A585 PolarHBondContact O-N 2.76Å; K582-S586 WeakPolarHBondContact O-CB 3.47Å; K582-S586 PolarHBondContact O-N 2.98Å
583A90Very high89.8Confident34 Ų3441.9 Ų41.928%0.28124%0.239SC..Hα-helixtrans-61-45.4178.600000111.2D579 A580 S586 R587 F627D579-A583 WeakPolarHBondContact O-CB 3.41Å; D579-A583 PolarHBondContact O-N 2.99Å; A580-A583 PolarHBondContact O-N 3.11Å; A583-S586 PolarHBondContact O-N 2.85Å; A583-R587 WeakPolarHBondContact O-CG 3.43Å; A583-R587 PolarHBondContact O-N 2.81Å; A583-F627 HydrophobicContact CB-CE1 3.97Å; A583-F627 HydrophobicContact CB-CZ 4.1Å
584I90.9Very high89.8Confident0 Ų045.2 Ų45.20%026%0.264CS..Hα-helixtrans-66.1-47.6177.4-65.4167.8000111.1Y552 A580 S586 R587 V588 V612 L625 I634Y552-I584 HydrophobicContact CD1-CD1 3.93Å; Y552-I584 HydrophobicContact CD1-CG2 4.24Å; Y552-I584 HydrophobicContact CD2-CD1 4.14Å; Y552-I584 HydrophobicContact CE1-CB 4.38Å; Y552-I584 HydrophobicContact CE1-CD1 4.14Å; Y552-I584 HydrophobicContact CE1-CG2 3.46Å; Y552-I584 VanDerWaalsContact CE1-CG2 3.46Å; Y552-I584 HydrophobicContact CE2-CD1 4.33Å; Y552-I584 HydrophobicContact CG-CD1 3.92Å; A580-I584 WeakPolarHBondContact O-CB 3.38Å; A580-I584 VanDerWaalsContact O-CG1 3.23Å; A580-I584 WeakPolarHBondContact O-CG1 3.39Å; A580-I584 PolarHBondContact O-N 3.01Å; I584-S586 PolarHBondContact O-N 3.46Å; I584-R587 WeakPolarHBondContact O-CB 3.36Å; I584-R587 PolarHBondContact O-N 3.14Å; I584-V588 HydrophobicContact CG2-CG2 4.2Å; I584-V588 WeakPolarHBondContact O-CG2 3.21Å; I584-V588 PolarHBondContact O-N 3.44Å; I584-V612 HydrophobicContact CG1-CG1 4.14Å; I584-V612 HydrophobicContact CG2-CG1 4.16Å; I584-V612 HydrophobicContact CG2-CG2 3.62Å; I584-L625 HydrophobicContact CG1-CD2 4.28Å; I584-I634 HydrophobicContact CD1-CD1 4.27Å; I584-I634 HydrophobicContact CD1-CG1 4.14Å
585A89.2Confident89.9Confident4 Ų442 Ų423%0.03324%0.242CC..Hα-helixtrans-58.4-37.4178.200000112.1V536 C581 K582 R589V536-A585 HydrophobicContact CB-CB 4.48Å; V536-A585 HydrophobicContact CG1-CB 3.85Å; V536-A585 HydrophobicContact CG2-CB 3.71Å; C581-A585 WeakPolarHBondContact O-CB 3.17Å; C581-A585 PolarHBondContact O-N 2.86Å; K582-A585 PolarHBondContact O-N 2.76Å; A585-R589 WeakPolarHBondContact O-CB 3.43Å; A585-R589 WeakPolarHBondContact O-CG 3.49Å; A585-R589 PolarHBondContact O-N 3.38Å
586S90.1Very high89.8Confident75 Ų7545 Ų4552%0.52426%0.255SS..Hα-helixtrans-64.7-41.5175.1-164.70000112.4K582 A583 I584 G590K582-S586 WeakPolarHBondContact O-CB 3.47Å; K582-S586 PolarHBondContact O-N 2.98Å; A583-S586 PolarHBondContact O-N 2.85Å; I584-S586 PolarHBondContact O-N 3.46Å; S586-G590 PolarHBondContact O-N 2.99Å; S586-G590 VanDerWaalsContact O-N 3.09Å
587R89.7Confident89.4Confident109 Ų10947.4 Ų47.441%0.41127%0.266SS..Hα-helixtrans-64.6-48.6176.3-69.5-179.6-177.9-164.30.8111.5A583 I584 R589 G590 T591 S611 V612A583-R587 WeakPolarHBondContact O-CG 3.43Å; A583-R587 PolarHBondContact O-N 2.81Å; I584-R587 WeakPolarHBondContact O-CB 3.36Å; I584-R587 PolarHBondContact O-N 3.14Å; R587-R589 PolarHBondContact O-N 2.77Å; R587-G590 PolarHBondContact O-N 3.14Å; R587-G590 VanDerWaalsContact O-N 3.15Å; R587-T591 PolarHBondContact O-N 2.91Å; R587-T591 PolarHBondContact O-OG1 2.72Å; R587-S611 PolarHBondContact O-OG 3.24Å; R587-V612 PolarHBondContact NH1-O 3.22Å
588V89Confident89Confident0 Ų051.1 Ų51.10%029%0.286CS..Hα-helixtrans-61-46.2179.6177.80000110.8V538 L548 L550 I584 G590 T591 V592 I608 S611 V612V538-V588 HydrophobicContact CG1-CG1 4.21Å; L548-V588 HydrophobicContact CD1-CG1 3.78Å; L550-V588 HydrophobicContact CD1-CG2 4.28Å; I584-V588 HydrophobicContact CG2-CG2 4.2Å; I584-V588 WeakPolarHBondContact O-CG2 3.21Å; I584-V588 PolarHBondContact O-N 3.44Å; V588-G590 VanDerWaalsContact C-N 3.31Å; V588-G590 PolarHBondContact O-N 2.99Å; V588-T591 PolarHBondContact O-N 2.96Å; V588-V592 HydrophobicContact CG1-CG2 3.99Å; V588-V592 WeakPolarHBondContact O-CB 3.4Å; V588-V592 VanDerWaalsContact O-CG2 3.27Å; V588-V592 WeakPolarHBondContact O-CG2 3.47Å; V588-V592 PolarHBondContact O-N 2.88Å; V588-I608 HydrophobicContact CG1-CG1 4.39Å; V588-I608 HydrophobicContact CG2-CG2 4.22Å; V588-S611 WeakPolarHBondContact CA-OG 3.33Å; V588-S611 PolarHBondContact N-OG 3.33Å; V588-V612 HydrophobicContact CG2-CG2 3.78Å
589R89.7Confident88.8Confident122 Ų12254.6 Ų54.646%0.4630%0.303SS..Hα-helixtrans-56.5-44.6174.6-81.1-172.7-69.3-119.80.8112.3V536 V538 A585 R587 T591 A593V536-R589 HydrophobicContact CG1-CG 4.31Å; V538-R589 HydrophobicContact CG1-CG 3.91Å; A585-R589 WeakPolarHBondContact O-CB 3.43Å; A585-R589 WeakPolarHBondContact O-CG 3.49Å; A585-R589 PolarHBondContact O-N 3.38Å; R587-R589 PolarHBondContact O-N 2.77Å; R589-T591 PolarHBondContact O-N 3.3Å; R589-A593 WeakPolarHBondContact O-CB 3.43Å; R589-A593 PolarHBondContact O-N 2.99Å; R589-A593 VanDerWaalsContact O-N 3.14Å
590G88.9Confident88.6Confident51 Ų5151.1 Ų51.153%0.52629%0.285SS..Hα-helixtrans-62.5-40.1179.100000113.5S586 R587 V588S586-G590 PolarHBondContact O-N 2.99Å; S586-G590 VanDerWaalsContact O-N 3.09Å; R587-G590 PolarHBondContact O-N 3.14Å; R587-G590 VanDerWaalsContact O-N 3.15Å; V588-G590 VanDerWaalsContact C-N 3.31Å; V588-G590 PolarHBondContact O-N 2.99Å
591T87.7Confident88.1Confident45 Ų4555.2 Ų55.228%0.27630%0.303SS..Hα-helixtrans-75.5-44.5178.6-53.30000112.1R587 V588 R589 A593 S594 I607 S611R587-T591 PolarHBondContact O-N 2.91Å; R587-T591 PolarHBondContact O-OG1 2.72Å; V588-T591 PolarHBondContact O-N 2.96Å; R589-T591 PolarHBondContact O-N 3.3Å; T591-A593 VanDerWaalsContact C-N 3.28Å; T591-A593 PolarHBondContact O-N 2.76Å; T591-S594 PolarHBondContact O-N 3.26Å; T591-S594 PolarHBondContact O-OG 2.98Å; T591-I607 HydrophobicContact CG2-CG2 3.9Å; T591-S611 WeakPolarHBondContact CB-OG 3.23Å; T591-S611 WeakPolarHBondContact OG1-CB 3.34Å; T591-S611 PolarHBondContact OG1-OG 3.28Å
592V88.1Confident87.7Confident1 Ų161.5 Ų61.51%0.00633%0.331CS..Hα-helixtrans-64.8-33.5-177.31770000111.9V538 T540 V588 S594 V595 F600V538-V592 HydrophobicContact CB-CB 4.28Å; V538-V592 HydrophobicContact CB-CG1 4.05Å; V538-V592 HydrophobicContact CG2-CB 4.37Å; V538-V592 HydrophobicContact CG2-CG1 3.76Å; V538-V592 HydrophobicContact CG2-CG2 4.49Å; T540-V592 HydrophobicContact CG2-CG1 3.89Å; V588-V592 HydrophobicContact CG1-CG2 3.99Å; V588-V592 WeakPolarHBondContact O-CB 3.4Å; V588-V592 VanDerWaalsContact O-CG2 3.27Å; V588-V592 WeakPolarHBondContact O-CG2 3.47Å; V588-V592 PolarHBondContact O-N 2.88Å; V592-S594 PolarHBondContact O-N 3.06Å; V592-V595 PolarHBondContact O-N 2.98Å; V592-F600 HydrophobicContact CG1-CD2 4.35Å; V592-F600 HydrophobicContact CG1-CE2 4.34Å; V592-F600 HydrophobicContact CG2-CD2 4.06Å; V592-F600 HydrophobicContact CG2-CE2 3.51Å; V592-F600 HydrophobicContact CG2-CZ 4.05Å
593A88.6Confident87.4Confident58 Ų5859.3 Ų59.348%0.47932%0.322SS..THydrogen-bonded Turntrans-60-18.7175.100000113.8E539 A541 R589 T591E539-A593 WeakPolarHBondContact O-CA 3.21Å; A541-A593 WeakPolarHBondContact CA-O 3.33Å; A541-A593 WeakPolarHBondContact CB-O 3.06Å; R589-A593 WeakPolarHBondContact O-CB 3.43Å; R589-A593 PolarHBondContact O-N 2.99Å; R589-A593 VanDerWaalsContact O-N 3.14Å; T591-A593 VanDerWaalsContact C-N 3.28Å; T591-A593 PolarHBondContact O-N 2.76Å
594S88.7Confident87.1Confident90 Ų9058.7 Ų58.763%0.62932%0.316SS*.THydrogen-bonded Turntrans-95.4-6.3177.969.60000114.6T591 V592T591-S594 PolarHBondContact O-N 3.26Å; T591-S594 PolarHBondContact O-OG 2.98Å; V592-S594 PolarHBondContact O-N 3.06Å
595V88.3Confident86.8Confident21 Ų2162 Ų6213%0.12734%0.339CS..SBendtrans-115.5143.1-173.2-174.30000110.9T540 A541 V592 D599 F600 I607T540-V595 WeakPolarHBondContact CB-O 3.26Å; A541-V595 WeakPolarHBondContact CB-O 3.33Å; A541-V595 PolarHBondContact N-O 2.94Å; V592-V595 PolarHBondContact O-N 2.98Å; V595-D599 HydrophobicContact CG1-CB 4.04Å; V595-F600 HydrophobicContact CG1-CB 4.11Å; V595-I607 HydrophobicContact CG1-CD1 4.04Å; V595-I607 HydrophobicContact CG2-CG2 4.42Å
596Q89.3Confident86.7Confident95 Ų9570.3 Ų70.344%0.44437%0.37SS..  trans-73.3155.7177.3-65.4-67.1-33.800111.8D542 D598 D599 F600D542-Q596 VanDerWaalsContact CB-OE1 3.31Å; Q596-D598 PolarHBondContact O-N 2.96Å; Q596-D599 PolarHBondContact O-N 2.96Å; Q596-F600 VanDerWaalsContact O-CB 3.29Å; Q596-F600 WeakPolarHBondContact O-CB 3.46Å; Q596-F600 PolarHBondContact O-N 2.97Å
597F83.8Confident86.5Confident59 Ų5967.9 Ų67.926%0.25935%0.35SS..Hα-helixtrans-59.7-45.9-177171.1-103.2000113.4A544 L546 F600 H601 L653A544-F597 HydrophobicContact CB-CB 4.04Å; A544-F597 HydrophobicContact CB-CD2 3.99Å; A544-F597 HydrophobicContact CB-CG 4.19Å; L546-F597 HydrophobicContact CD1-CD2 4.1Å; L546-F597 HydrophobicContact CD1-CE2 4.31Å; L546-F597 HydrophobicContact CD2-CD2 3.96Å; L546-F597 HydrophobicContact CD2-CE2 3.69Å; F597-F600 PolarHBondContact O-N 2.99Å; F597-H601 HydrophobicContact CZ-CB 4.41Å; F597-H601 WeakPolarHBondContact O-CB 3.12Å; F597-H601 PolarHBondContact O-N 3.09Å; F597-L653 HydrophobicContact CZ-CD1 4.29Å
598D83.7Confident86.4Confident90 Ų9062.7 Ų62.748%0.48133%0.331SS..Hα-helixtrans-64.4-44.4-177.4-177.552.1000112.2Q596 H601 K602Q596-D598 PolarHBondContact O-N 2.96Å; D598-H601 PolarHBondContact O-N 3.21Å; D598-K602 VanDerWaalsContact CG-NZ 3.35Å; D598-K602 WeakPolarHBondContact O-CG 3.43Å; D598-K602 PolarHBondContact O-N 2.84Å; D598-K602 VanDerWaalsContact O-N 3.1Å; D598-K602 VanDerWaalsContact OD1-CE 3.28Å; D598-K602 WeakPolarHBondContact OD1-CE 3.08Å; D598-K602 IonicContact OD1-NZ 3.23Å; D598-K602 PolarHBondContact OD1-NZ 3Å; D598-K602 IonicContact OD2-NZ 2.71Å; D598-K602 PolarHBondContact OD2-NZ 3.46Å
599D86Confident86.2Confident74 Ų7467.9 Ų67.940%0.39635%0.35SS..Hα-helixtrans-67.5-40.5177.1-172.237.2000111.5V595 Q596 H601 K602 H603V595-D599 HydrophobicContact CG1-CB 4.04Å; Q596-D599 PolarHBondContact O-N 2.96Å; D599-H601 PolarHBondContact O-N 3.47Å; D599-K602 PolarHBondContact O-N 2.83Å; D599-H603 PolarHBondContact O-N 3.49Å; D599-H603 IonicContact OD1-CE1 3.58Å; D599-H603 IonicContact OD1-CG 3.93Å; D599-H603 IonicContact OD1-ND1 2.81Å; D599-H603 PolarHBondContact OD1-ND1 3.47Å
600F85.9Confident86.1Confident0 Ų063.3 Ų63.30%034%0.338CS..Hα-helixtrans-62.6-41173.4-177.5-100.8000112L546 L548 V592 V595 Q596 F597 K602 S604 I607 I608 V642L546-F600 HydrophobicContact CD1-CD1 3.4Å; L546-F600 HydrophobicContact CD1-CE1 3.44Å; L546-F600 VanDerWaalsContact CD1-CE1 3.44Å; L548-F600 HydrophobicContact CD1-CZ 4.06Å; L548-F600 HydrophobicContact CD2-CE1 3.84Å; L548-F600 HydrophobicContact CD2-CZ 3.79Å; V592-F600 HydrophobicContact CG1-CD2 4.35Å; V592-F600 HydrophobicContact CG1-CE2 4.34Å; V592-F600 HydrophobicContact CG2-CD2 4.06Å; V592-F600 HydrophobicContact CG2-CE2 3.51Å; V592-F600 HydrophobicContact CG2-CZ 4.05Å; V595-F600 HydrophobicContact CG1-CB 4.11Å; Q596-F600 VanDerWaalsContact O-CB 3.29Å; Q596-F600 WeakPolarHBondContact O-CB 3.46Å; Q596-F600 PolarHBondContact O-N 2.97Å; F597-F600 PolarHBondContact O-N 2.99Å; F600-K602 PolarHBondContact O-N 2.8Å; F600-S604 WeakPolarHBondContact O-CA 3.06Å; F600-S604 WeakPolarHBondContact O-CB 3.29Å; F600-S604 PolarHBondContact O-N 3.19Å; F600-I607 HydrophobicContact CD2-CB 4.48Å; F600-I607 HydrophobicContact CD2-CD1 4.13Å; F600-I607 HydrophobicContact CD2-CG2 4.22Å; F600-I607 HydrophobicContact CE2-CG2 4.39Å; F600-I608 HydrophobicContact CE2-CD1 4.19Å; F600-I608 HydrophobicContact CE2-CG1 4.03Å; F600-I608 HydrophobicContact CZ-CD1 3.93Å; F600-I608 HydrophobicContact CZ-CG1 4.24Å; F600-V642 HydrophobicContact CE1-CG1 3.85Å
601H81.5Confident85.9Confident90 Ų9061.5 Ų61.542%0.41732%0.318SS..Hα-helixtrans-64.8-41.8179.9-171.761.2000111.9F597 D598 D599F597-H601 HydrophobicContact CZ-CB 4.41Å; F597-H601 WeakPolarHBondContact O-CB 3.12Å; F597-H601 PolarHBondContact O-N 3.09Å; D598-H601 PolarHBondContact O-N 3.21Å; D599-H601 PolarHBondContact O-N 3.47Å
602K81.4Confident85.8Confident133 Ų13359.4 Ų59.458%0.57831%0.305SS*.Hα-helixtrans-71-38.5178.4-71.4169.2-178.9161.70113.5D598 D599 F600D598-K602 VanDerWaalsContact CG-NZ 3.35Å; D598-K602 WeakPolarHBondContact O-CG 3.43Å; D598-K602 PolarHBondContact O-N 2.84Å; D598-K602 VanDerWaalsContact O-N 3.1Å; D598-K602 VanDerWaalsContact OD1-CE 3.28Å; D598-K602 WeakPolarHBondContact OD1-CE 3.08Å; D598-K602 IonicContact OD1-NZ 3.23Å; D598-K602 PolarHBondContact OD1-NZ 3Å; D598-K602 IonicContact OD2-NZ 2.71Å; D598-K602 PolarHBondContact OD2-NZ 3.46Å; D599-K602 PolarHBondContact O-N 2.83Å; F600-K602 PolarHBondContact O-N 2.8Å
603H85.3Confident85.8Confident94 Ų9459.7 Ų59.744%0.43531%0.306SS..Hα-helixtrans-118.919.9-171.4-56.2115000114.2D599 S605 R606 I607D599-H603 PolarHBondContact O-N 3.49Å; D599-H603 IonicContact OD1-CE1 3.58Å; D599-H603 IonicContact OD1-CG 3.93Å; D599-H603 IonicContact OD1-ND1 2.81Å; D599-H603 PolarHBondContact OD1-ND1 3.47Å; H603-S605 VanDerWaalsContact C-N 3.33Å; H603-S605 PolarHBondContact O-N 3.08Å; H603-R606 PolarHBondContact O-N 2.89Å; H603-R606 VanDerWaalsContact O-N 3.07Å; H603-I607 HydrophobicContact CB-CD1 3.89Å; H603-I607 HydrophobicContact CB-CG1 4.28Å; H603-I607 WeakPolarHBondContact O-CG1 3.37Å; H603-I607 PolarHBondContact O-N 3.14Å
604S83.7Confident85.5Confident22 Ų2258 Ų5815%0.15430%0.295CS..Hα-helixtrans-48-49.7-17350.20000113.5F600 R606 I607 I608F600-S604 WeakPolarHBondContact O-CA 3.06Å; F600-S604 WeakPolarHBondContact O-CB 3.29Å; F600-S604 PolarHBondContact O-N 3.19Å; S604-R606 PolarHBondContact O-N 3.42Å; S604-I607 PolarHBondContact O-N 3.02Å; S604-I608 WeakPolarHBondContact O-CB 3.33Å; S604-I608 WeakPolarHBondContact O-CD1 3.23Å; S604-I608 VanDerWaalsContact O-CG1 3.28Å; S604-I608 WeakPolarHBondContact O-CG1 3.21Å; S604-I608 PolarHBondContact O-N 3.43Å
605S85.2Confident85.2Confident69 Ų6958.6 Ų58.648%0.48329%0.29SS..Hα-helixtrans-59.1-44.1-178.860.80000112.8H603 R609H603-S605 VanDerWaalsContact C-N 3.33Å; H603-S605 PolarHBondContact O-N 3.08Å; S605-R609 WeakPolarHBondContact O-CB 2.87Å; S605-R609 VanDerWaalsContact O-CG 3.25Å; S605-R609 WeakPolarHBondContact O-CG 3.4Å; S605-R609 PolarHBondContact O-N 2.8Å; S605-R609 VanDerWaalsContact O-N 3.13Å
606R85.9Confident84.7Confident179 Ų17961.6 Ų61.668%0.67531%0.306SS*.Hα-helixtrans-69.3-43.6178.6-176.8176.6175.9168-1111.4H603 S604 R609 A610H603-R606 PolarHBondContact O-N 2.89Å; H603-R606 VanDerWaalsContact O-N 3.07Å; S604-R606 PolarHBondContact O-N 3.42Å; R606-R609 PolarHBondContact O-N 3.23Å; R606-A610 VanDerWaalsContact O-CB 3.31Å; R606-A610 WeakPolarHBondContact O-CB 3.47Å; R606-A610 PolarHBondContact O-N 3Å
607I86.5Confident84Confident23 Ų2366.5 Ų66.512%0.11833%0.329CS..Hα-helixtrans-64.1-46.7-178.7-65.9161.7000110.7T591 V595 F600 H603 S604 A610 S611T591-I607 HydrophobicContact CG2-CG2 3.9Å; V595-I607 HydrophobicContact CG1-CD1 4.04Å; V595-I607 HydrophobicContact CG2-CG2 4.42Å; F600-I607 HydrophobicContact CD2-CB 4.48Å; F600-I607 HydrophobicContact CD2-CD1 4.13Å; F600-I607 HydrophobicContact CD2-CG2 4.22Å; F600-I607 HydrophobicContact CE2-CG2 4.39Å; H603-I607 HydrophobicContact CB-CD1 3.89Å; H603-I607 HydrophobicContact CB-CG1 4.28Å; H603-I607 WeakPolarHBondContact O-CG1 3.37Å; H603-I607 PolarHBondContact O-N 3.14Å; S604-I607 PolarHBondContact O-N 3.02Å; I607-A610 PolarHBondContact O-N 2.84Å; I607-S611 WeakPolarHBondContact O-CB 3.4Å; I607-S611 PolarHBondContact O-N 2.84Å
608I86.6Confident83.5Confident0 Ų068.2 Ų68.20%035%0.354CS..Hα-helixtrans-63.8-47179.1-67.8162.8000110.2L548 L550 V588 F600 S604 A610 S611 V612 V637 V639L548-I608 HydrophobicContact CD1-CD1 4.17Å; L550-I608 HydrophobicContact CD1-CG2 4.4Å; L550-I608 HydrophobicContact CD2-CD1 4.09Å; L550-I608 HydrophobicContact CD2-CG2 4.15Å; V588-I608 HydrophobicContact CG1-CG1 4.39Å; V588-I608 HydrophobicContact CG2-CG2 4.22Å; F600-I608 HydrophobicContact CE2-CD1 4.19Å; F600-I608 HydrophobicContact CE2-CG1 4.03Å; F600-I608 HydrophobicContact CZ-CD1 3.93Å; F600-I608 HydrophobicContact CZ-CG1 4.24Å; S604-I608 WeakPolarHBondContact O-CB 3.33Å; S604-I608 WeakPolarHBondContact O-CD1 3.23Å; S604-I608 VanDerWaalsContact O-CG1 3.28Å; S604-I608 WeakPolarHBondContact O-CG1 3.21Å; S604-I608 PolarHBondContact O-N 3.43Å; I608-A610 PolarHBondContact O-N 3.32Å; I608-S611 WeakPolarHBondContact O-CB 3.41Å; I608-S611 PolarHBondContact O-N 2.88Å; I608-S611 VanDerWaalsContact O-N 3.16Å; I608-V612 WeakPolarHBondContact O-CG2 3.46Å; I608-V612 PolarHBondContact O-N 3.25Å; I608-V637 HydrophobicContact CG2-CG1 4.03Å; I608-V639 HydrophobicContact CB-CG2 4.25Å; I608-V639 HydrophobicContact CD1-CB 4.49Å; I608-V639 HydrophobicContact CD1-CG1 4.04Å; I608-V639 HydrophobicContact CD1-CG2 3.58Å; I608-V639 HydrophobicContact CG2-CG2 4.25Å
609R85.9Confident83Confident110 Ų11066 Ų6642%0.41535%0.351SS..Hα-helixtrans-61.1-43.2178.4-73.9-179.265.6178.22.6112.4S605 R606 S611 V612 F613 V621S605-R609 WeakPolarHBondContact O-CB 2.87Å; S605-R609 VanDerWaalsContact O-CG 3.25Å; S605-R609 WeakPolarHBondContact O-CG 3.4Å; S605-R609 PolarHBondContact O-N 2.8Å; S605-R609 VanDerWaalsContact O-N 3.13Å; R606-R609 PolarHBondContact O-N 3.23Å; R609-S611 VanDerWaalsContact C-N 3.3Å; R609-S611 PolarHBondContact O-N 3.11Å; R609-V612 PolarHBondContact O-N 3.07Å; R609-F613 WeakPolarHBondContact O-CD2 3.45Å; R609-F613 PolarHBondContact O-N 3.06Å; R609-F613 VanDerWaalsContact O-N 3.08Å; R609-V621 HydrophobicContact CB-CG1 4.19Å; R609-V621 WeakPolarHBondContact O-CG1 3.27Å
610A86.2Confident82.6Confident25 Ų2569.3 Ų69.321%0.20736%0.362CS..Hα-helixtrans-62.4-37.5175.900000112.3R606 I607 I608 G614 L615 V621R606-A610 VanDerWaalsContact O-CB 3.31Å; R606-A610 WeakPolarHBondContact O-CB 3.47Å; R606-A610 PolarHBondContact O-N 3Å; I607-A610 PolarHBondContact O-N 2.84Å; I608-A610 PolarHBondContact O-N 3.32Å; A610-G614 WeakPolarHBondContact O-CA 3.33Å; A610-G614 PolarHBondContact O-N 2.89Å; A610-L615 HydrophobicContact CB-CD2 4.27Å; A610-V621 HydrophobicContact CB-CG2 3.78Å
611S85.9Confident82.3Confident14 Ų1470.7 Ų70.710%0.09837%0.371CS..Hα-helixtrans-64-43.3176.4-178.90000112.8R587 V588 T591 I607 I608 R609R587-S611 PolarHBondContact O-OG 3.24Å; V588-S611 WeakPolarHBondContact CA-OG 3.33Å; V588-S611 PolarHBondContact N-OG 3.33Å; T591-S611 WeakPolarHBondContact CB-OG 3.23Å; T591-S611 WeakPolarHBondContact OG1-CB 3.34Å; T591-S611 PolarHBondContact OG1-OG 3.28Å; I607-S611 WeakPolarHBondContact O-CB 3.4Å; I607-S611 PolarHBondContact O-N 2.84Å; I608-S611 WeakPolarHBondContact O-CB 3.41Å; I608-S611 PolarHBondContact O-N 2.88Å; I608-S611 VanDerWaalsContact O-N 3.16Å; R609-S611 VanDerWaalsContact C-N 3.3Å; R609-S611 PolarHBondContact O-N 3.11Å
612V85.7Confident82.4Confident0 Ų072.6 Ų72.60%037%0.374CS..Hα-helixtrans-75.4-51.6-175.9-179.70000111.8I584 R587 V588 I608 R609 L625 V637I584-V612 HydrophobicContact CG1-CG1 4.14Å; I584-V612 HydrophobicContact CG2-CG1 4.16Å; I584-V612 HydrophobicContact CG2-CG2 3.62Å; R587-V612 PolarHBondContact NH1-O 3.22Å; V588-V612 HydrophobicContact CG2-CG2 3.78Å; I608-V612 WeakPolarHBondContact O-CG2 3.46Å; I608-V612 PolarHBondContact O-N 3.25Å; R609-V612 PolarHBondContact O-N 3.07Å; V612-L625 HydrophobicContact CG1-CD2 4.08Å; V612-V637 HydrophobicContact CB-CG2 4.12Å; V612-V637 HydrophobicContact CG1-CG2 3.9Å; V612-V637 HydrophobicContact CG2-CG2 4.2Å
613F87.7Confident82.4Confident7 Ų771.7 Ų71.73%0.03138%0.376CS..Hα-helixtrans-87.2-19.6-173.3-60.4-52.8000113.8R609 V621 R622 R624 L625 I634 V637R609-F613 WeakPolarHBondContact O-CD2 3.45Å; R609-F613 PolarHBondContact O-N 3.06Å; R609-F613 VanDerWaalsContact O-N 3.08Å; F613-V621 HydrophobicContact CB-CG1 3.96Å; F613-V621 HydrophobicContact CD2-CG1 4.05Å; F613-R622 HydrophobicContact CB-CB 4.03Å; F613-R622 WeakPolarHBondContact CB-O 3.19Å; F613-R622 WeakPolarHBondContact CD2-O 3.31Å; F613-R622 VanDerWaalsContact CG-O 3.3Å; F613-R622 WeakPolarHBondContact CG-O 3.27Å; F613-R622 WeakPolarHBondContact O-CD 3.21Å; F613-R624 VanDerWaalsContact CD1-C 3.46Å; F613-L625 HydrophobicContact CD1-CB 3.93Å; F613-L625 HydrophobicContact CE1-CB 4.2Å; F613-I634 HydrophobicContact CE1-CB 4.38Å; F613-I634 HydrophobicContact CE1-CG2 4.09Å; F613-I634 WeakPolarHBondContact CE1-O 3.41Å; F613-I634 HydrophobicContact CZ-CG2 4.36Å; F613-V637 HydrophobicContact CE1-CG2 4.43Å; F613-V637 HydrophobicContact CE2-CG2 3.98Å; F613-V637 HydrophobicContact CZ-CG2 3.72Å
614G83.3Confident82.4Confident24 Ų2474.3 Ų74.325%0.24738%0.382CS..  trans78170.2-17000000112.5A610 R622A610-G614 WeakPolarHBondContact O-CA 3.33Å; A610-G614 PolarHBondContact O-N 2.89Å; G614-R622 PolarHBondContact O-N 2.82Å
615L80.5Confident82.7Confident102 Ų10274.1 Ų74.153%0.53438%0.379SS..BIsolated β-bridgetrans-98.1141.3174.6-64.2163.9000109.1A610 G619 K620 V621A610-L615 HydrophobicContact CB-CD2 4.27Å; L615-G619 WeakPolarHBondContact CD2-O 3.42Å; L615-K620 CarbonylContact C-O 3.57Å; L615-K620 WeakPolarHBondContact CA-O 3.44Å; L615-V621 HydrophobicContact CD2-CG2 4.13Å
616D78.3Confident82.8Confident84 Ų8473.6 Ų73.645%0.44937%0.373SS..  trans-82.7173.4170.5-152.721.3000111.2A618 G619 K620 R622D616-A618 PolarHBondContact O-N 2.82Å; D616-A618 VanDerWaalsContact O-N 3.1Å; D616-G619 PolarHBondContact O-N 3.35Å; D616-K620 WeakPolarHBondContact CB-O 3.45Å; D616-K620 PolarHBondContact N-O 3.49Å; D616-R622 HydrophobicContact CB-CG 4.21Å; D616-R622 IonicContact OD1-NE 3.84Å
617E74.6Confident83.1Confident198 Ų19866.4 Ų66.493%0.92535%0.346SS*.THydrogen-bonded Turntrans-56.1-30.4-178.3-64.6-178.8179.900113.2G619E617-G619 VanDerWaalsContact C-N 3.28Å; E617-G619 PolarHBondContact O-N 2.94Å
618A74.3Confident83.1Confident95 Ų9570.1 Ų70.179%0.78537%0.372SS*.THydrogen-bonded Turntrans-835.5176.300000114.4D616 K620D616-A618 PolarHBondContact O-N 2.82Å; D616-A618 VanDerWaalsContact O-N 3.1Å; A618-K620 PolarHBondContact O-N 3Å
619G72.3Confident83.2Confident42 Ų4276.2 Ų76.243%0.43340%0.401SS..SBendtrans71.511.9-175.200000114.5L615 D616 E617L615-G619 WeakPolarHBondContact CD2-O 3.42Å; D616-G619 PolarHBondContact O-N 3.35Å; E617-G619 VanDerWaalsContact C-N 3.28Å; E617-G619 PolarHBondContact O-N 2.94Å
620K78.8Confident83.4Confident144 Ų14471.2 Ų71.263%0.62638%0.382SS*.PPolyproline II helixtrans-85.6144173.1-168.5-178.5175.2-168.50109.9L615 D616 A618 R622L615-K620 CarbonylContact C-O 3.57Å; L615-K620 WeakPolarHBondContact CA-O 3.44Å; D616-K620 WeakPolarHBondContact CB-O 3.45Å; D616-K620 PolarHBondContact N-O 3.49Å; A618-K620 PolarHBondContact O-N 3Å; K620-R622 PolarHBondContact O-N 3.41Å
621V78.4Confident83.5Confident29 Ų2971.7 Ų71.718%0.17638%0.381CS..BIsolated β-bridgetrans-67.8131.4175-177.30000109.5R609 A610 F613 L615R609-V621 HydrophobicContact CB-CG1 4.19Å; R609-V621 WeakPolarHBondContact O-CG1 3.27Å; A610-V621 HydrophobicContact CB-CG2 3.78Å; F613-V621 HydrophobicContact CB-CG1 3.96Å; F613-V621 HydrophobicContact CD2-CG1 4.05Å; L615-V621 HydrophobicContact CD2-CG2 4.13Å
622R83.8Confident83.9Confident130 Ų13071.1 Ų71.149%0.49138%0.377SS..PPolyproline II helixtrans-64.6156.8175.8-67.1-179.7176.8158.3-0.1111.2F613 G614 D616 K620F613-R622 HydrophobicContact CB-CB 4.03Å; F613-R622 WeakPolarHBondContact CB-O 3.19Å; F613-R622 WeakPolarHBondContact CD2-O 3.31Å; F613-R622 VanDerWaalsContact CG-O 3.3Å; F613-R622 WeakPolarHBondContact CG-O 3.27Å; F613-R622 WeakPolarHBondContact O-CD 3.21Å; G614-R622 PolarHBondContact O-N 2.82Å; D616-R622 HydrophobicContact CB-CG 4.21Å; D616-R622 IonicContact OD1-NE 3.84Å; K620-R622 PolarHBondContact O-N 3.41Å
623D82Confident84.2Confident114 Ų11472 Ų7261%0.6138%0.381SS*.SBendtrans-88.9-14.6-173.9-62.5-39.6000114.1
624R85.7Confident84.4Confident150 Ų15071.8 Ų71.857%0.56638%0.38SS*.  trans-152.5153.4-176.860.5-177.6167.8-178.2-2113.8F613 I634F613-R624 VanDerWaalsContact CD1-C 3.46Å; R624-I634 CarbonylContact C-O 3.55Å; R624-I634 VanDerWaalsContact CA-O 3.22Å; R624-I634 WeakPolarHBondContact CA-O 3.5Å; R624-I634 WeakPolarHBondContact CB-O 3.3Å
625L88.3Confident84.7Confident17 Ų1773.9 Ų73.99%0.08939%0.389CS..EExtended strand (participates in β ladder)trans-115.4125.2169.2172.261.8000109.1I584 V612 F613 F627 H633 I634I584-L625 HydrophobicContact CG1-CD2 4.28Å; V612-L625 HydrophobicContact CG1-CD2 4.08Å; F613-L625 HydrophobicContact CD1-CB 3.93Å; F613-L625 HydrophobicContact CE1-CB 4.2Å; L625-F627 HydrophobicContact CD2-CE2 3.99Å; L625-F627 HydrophobicContact CD2-CZ 4.15Å; L625-F627 HydrophobicContact CG-CE2 4.1Å; L625-H633 CarbonylContact O-C 3.59Å; L625-H633 WeakPolarHBondContact O-CA 3.5Å; L625-I634 HydrophobicContact CB-CB 4.18Å; L625-I634 HydrophobicContact CB-CG1 4.47Å; L625-I634 PolarHBondContact N-O 3.2Å; L625-I634 PolarHBondContact O-N 3.3Å
626V89Confident85.1Confident58 Ų5870.5 Ų70.535%0.35237%0.373SS..EExtended strand (participates in β ladder)trans-107.5134.6-177.81790000110P628 H633V626-P628 WeakPolarHBondContact O-CD 3.33Å; V626-H633 WeakPolarHBondContact CG1-NE2 3.49Å
627F91.1Very high85.6Confident28 Ų2866.7 Ų66.712%0.12335%0.353CS..EExtended strand (participates in β ladder)trans-102.5101.7168.3-69.1-97.2000109A580 A583 L625 Q629 N630 N631 L632 I634A580-F627 HydrophobicContact CB-CE2 4.12Å; A580-F627 HydrophobicContact CB-CZ 3.95Å; A583-F627 HydrophobicContact CB-CE1 3.97Å; A583-F627 HydrophobicContact CB-CZ 4.1Å; L625-F627 HydrophobicContact CD2-CE2 3.99Å; L625-F627 HydrophobicContact CD2-CZ 4.15Å; L625-F627 HydrophobicContact CG-CE2 4.1Å; F627-Q629 PolarHBondContact O-N 3.02Å; F627-Q629 VanDerWaalsContact O-N 3.09Å; F627-N630 WeakPolarHBondContact CB-OD1 3.32Å; F627-N630 PolarHBondContact O-N 3.41Å; F627-N630 PolarHBondContact O-OD1 3.03Å; F627-N631 WeakPolarHBondContact O-CA 3.35Å; F627-N631 PolarHBondContact O-N 3Å; F627-L632 HydrophobicContact CB-CB 4.15Å; F627-L632 HydrophobicContact CD2-CB 4.31Å; F627-L632 HydrophobicContact CD2-CD2 3.93Å; F627-L632 HydrophobicContact CD2-CG 4.29Å; F627-L632 HydrophobicContact CE2-CD2 4.28Å; F627-L632 HydrophobicContact CG-CD2 4.47Å; F627-L632 PolarHBondContact N-O 3.01Å; F627-I634 HydrophobicContact CE2-CD1 4.44Å; F627-I634 HydrophobicContact CE2-CG1 3.9Å
628P87.3Confident86.3Confident102 Ų10260.9 Ų60.966%0.66233%0.328SS*.THydrogen-bonded Turntrans-66.1-15.7-173.2-22.534.2000114.7V626V626-P628 WeakPolarHBondContact O-CD 3.33Å
629Q88.2Confident86.9Confident127 Ų12758.3 Ų58.359%0.59330%0.303SS*.THydrogen-bonded Turntrans-70.9-37.8-177.2-65178.9-10.200111.9K569 S572 V573 F627K569-Q629 WeakPolarHBondContact CB-O 3.31Å; S572-Q629 PolarHBondContact OG-O 2.65Å; V573-Q629 HydrophobicContact CG2-CB 3.98Å; F627-Q629 PolarHBondContact O-N 3.02Å; F627-Q629 VanDerWaalsContact O-N 3.09Å
630N89.9Confident87.5Confident5 Ų560.8 Ų60.83%0.02730%0.303CS..THydrogen-bonded Turntrans-128.86.2-175.965.2-8000113.9F556 K569 V573 F576 F627 L632F556-N630 VanDerWaalsContact CD1-O 3.29Å; F556-N630 WeakPolarHBondContact CD1-O 3.38Å; F556-N630 HydrophobicContact CE1-CB 4.23Å; K569-N630 WeakPolarHBondContact O-CA 3.48Å; K569-N630 WeakPolarHBondContact O-CB 3.48Å; V573-N630 HydrophobicContact CB-CB 4.45Å; V573-N630 HydrophobicContact CG2-CB 4.13Å; F576-N630 WeakPolarHBondContact CB-ND2 3.46Å; F627-N630 WeakPolarHBondContact CB-OD1 3.32Å; F627-N630 PolarHBondContact O-N 3.41Å; F627-N630 PolarHBondContact O-OD1 3.03Å; N630-L632 PolarHBondContact O-N 2.92Å; N630-L632 WeakPolarHBondContact OD1-CB 2.87Å; N630-L632 PolarHBondContact OD1-N 2.84Å; N630-L632 VanDerWaalsContact OD1-N 3.1Å
631N89.3Confident87.9Confident35 Ų3555.2 Ų55.219%0.18728%0.282CS..THydrogen-bonded Turntrans57.828.2-174.8-58-26.5000113.9D557 V558 F627 H633D557-N631 PolarHBondContact N-O 2.72Å; V558-N631 HydrophobicContact CG2-CB 4.05Å; F627-N631 WeakPolarHBondContact O-CA 3.35Å; F627-N631 PolarHBondContact O-N 3Å; N631-H633 PolarHBondContact O-CD2 3.5Å; N631-H633 VanDerWaalsContact O-CD2 3.32Å
632L93.1Very high88.2Confident2 Ų255.6 Ų55.61%0.0128%0.284CS..EExtended strand (participates in β ladder)trans-75126.5172.417875.2000110.1W554 F556 F576 A580 F627 N630 I634W554-L632 HydrophobicContact CB-CD1 3.98Å; W554-L632 HydrophobicContact CD2-CD1 4.19Å; W554-L632 HydrophobicContact CE3-CD1 3.8Å; W554-L632 HydrophobicContact CG-CD1 4.3Å; F556-L632 HydrophobicContact CD1-CB 4.24Å; F556-L632 HydrophobicContact CD1-CD1 4.4Å; F556-L632 HydrophobicContact CD2-CD1 4.3Å; F556-L632 HydrophobicContact CE1-CB 3.93Å; F556-L632 HydrophobicContact CE1-CD1 4.09Å; F556-L632 HydrophobicContact CE2-CD1 4Å; F556-L632 HydrophobicContact CZ-CB 4.47Å; F556-L632 HydrophobicContact CZ-CD1 3.89Å; F576-L632 HydrophobicContact CD2-CD1 3.86Å; F576-L632 HydrophobicContact CD2-CD2 3.72Å; F576-L632 HydrophobicContact CD2-CG 4.38Å; F576-L632 HydrophobicContact CE2-CD1 3.92Å; F576-L632 HydrophobicContact CE2-CD2 4.46Å; A580-L632 HydrophobicContact CB-CD2 3.8Å; F627-L632 HydrophobicContact CB-CB 4.15Å; F627-L632 HydrophobicContact CD2-CB 4.31Å; F627-L632 HydrophobicContact CD2-CD2 3.93Å; F627-L632 HydrophobicContact CD2-CG 4.29Å; F627-L632 HydrophobicContact CE2-CD2 4.28Å; F627-L632 HydrophobicContact CG-CD2 4.47Å; F627-L632 PolarHBondContact N-O 3.01Å; N630-L632 PolarHBondContact O-N 2.92Å; N630-L632 WeakPolarHBondContact OD1-CB 2.87Å; N630-L632 PolarHBondContact OD1-N 2.84Å; N630-L632 VanDerWaalsContact OD1-N 3.1Å; L632-I634 HydrophobicContact CD2-CD1 4.32Å; L632-I634 HydrophobicContact CG-CD1 4.49Å
633H92.5Very high88.3Confident19 Ų1954.1 Ų54.19%0.08828%0.283CS..EExtended strand (participates in β ladder)trans-113.7120.6177.8-73.2-153.2000109.4W554 V555 D557 L625 V626 N631W554-H633 CarbonylContact C-O 3.6Å; W554-H633 WeakPolarHBondContact CA-O 3.37Å; V555-H633 HydrophobicContact CG1-CB 4.05Å; V555-H633 PolarHBondContact N-O 2.97Å; V555-H633 WeakPolarHBondContact O-CB 3.29Å; V555-H633 PolarHBondContact O-N 3.01Å; D557-H633 IonicContact OD2-CE1 3Å; D557-H633 PolarHBondContact OD2-CE1 2.74Å; D557-H633 IonicContact OD2-ND1 3.78Å; D557-H633 IonicContact OD2-NE2 3.39Å; L625-H633 CarbonylContact O-C 3.59Å; L625-H633 WeakPolarHBondContact O-CA 3.5Å; V626-H633 WeakPolarHBondContact CG1-NE2 3.49Å; N631-H633 PolarHBondContact O-CD2 3.5Å; N631-H633 VanDerWaalsContact O-CD2 3.32Å
634I92.1Very high88.3Confident2 Ų249.3 Ų49.31%0.0126%0.258CS..EExtended strand (participates in β ladder)trans-87.2119166.9-49.9-63.5000107.4N553 W554 I584 F613 R624 L625 F627 L632 V637N553-I634 CarbonylContact O-C 3.5Å; N553-I634 WeakPolarHBondContact O-CA 3.38Å; W554-I634 HydrophobicContact CB-CD1 3.77Å; I584-I634 HydrophobicContact CD1-CD1 4.27Å; I584-I634 HydrophobicContact CD1-CG1 4.14Å; F613-I634 HydrophobicContact CE1-CB 4.38Å; F613-I634 HydrophobicContact CE1-CG2 4.09Å; F613-I634 WeakPolarHBondContact CE1-O 3.41Å; F613-I634 HydrophobicContact CZ-CG2 4.36Å; R624-I634 CarbonylContact C-O 3.55Å; R624-I634 VanDerWaalsContact CA-O 3.22Å; R624-I634 WeakPolarHBondContact CA-O 3.5Å; R624-I634 WeakPolarHBondContact CB-O 3.3Å; L625-I634 HydrophobicContact CB-CB 4.18Å; L625-I634 HydrophobicContact CB-CG1 4.47Å; L625-I634 PolarHBondContact N-O 3.2Å; L625-I634 PolarHBondContact O-N 3.3Å; F627-I634 HydrophobicContact CE2-CD1 4.44Å; F627-I634 HydrophobicContact CE2-CG1 3.9Å; L632-I634 HydrophobicContact CD2-CD1 4.32Å; L632-I634 HydrophobicContact CG-CD1 4.49Å; I634-V637 HydrophobicContact CG2-CG2 4.34Å
635T89.3Confident88.1Confident69 Ų6944.8 Ų44.842%0.42325%0.247SC..EExtended strand (participates in β ladder)trans-99.2-32.9-172.954.30000112.8N553 V555N553-T635 PolarHBondContact O-N 3.08Å; N553-T635 PolarHBondContact O-OG1 3.03Å; V555-T635 HydrophobicContact CG1-CG2 3.88Å
636S89.1Confident87.7Confident30 Ų3048.2 Ų48.221%0.2127%0.265CS..EExtended strand (participates in β ladder)trans-150.6159.3173.876.50000112.3N553N553-S636 WeakPolarHBondContact CB-OG 3.36Å; N553-S636 PolarHBondContact N-O 2.9Å; N553-S636 PolarHBondContact ND2-OG 2.79Å
637V88.5Confident87.2Confident5 Ų549.8 Ų49.83%0.0327%0.269CS..EExtended strand (participates in β ladder)trans-128.7116.4176.3-178.20000108.2S551 Y552 I608 V612 F613 I634S551-V637 CarbonylContact O-C 3.21Å; S551-V637 WeakPolarHBondContact O-CA 3.06Å; Y552-V637 HydrophobicContact CD1-CB 4.46Å; Y552-V637 HydrophobicContact CD1-CG1 3.92Å; Y552-V637 HydrophobicContact CD1-CG2 4.04Å; Y552-V637 HydrophobicContact CE1-CG1 3.97Å; I608-V637 HydrophobicContact CG2-CG1 4.03Å; V612-V637 HydrophobicContact CB-CG2 4.12Å; V612-V637 HydrophobicContact CG1-CG2 3.9Å; V612-V637 HydrophobicContact CG2-CG2 4.2Å; F613-V637 HydrophobicContact CE1-CG2 4.43Å; F613-V637 HydrophobicContact CE2-CG2 3.98Å; F613-V637 HydrophobicContact CZ-CG2 3.72Å; I634-V637 HydrophobicContact CG2-CG2 4.34Å
638D89.3Confident86.6Confident76 Ų7657.9 Ų57.941%0.40630%0.299SS..EExtended strand (participates in β ladder)trans-105.1129.1178.4-54.2-36.2000109.7S551S551-D638 PolarHBondContact N-O 2.99Å; S551-D638 PolarHBondContact O-N 3.47Å
639V86.7Confident85.8Confident40 Ų4055.9 Ų55.924%0.24229%0.285CS..EExtended strand (participates in β ladder)trans-92.5104.2177.2-174.10000107.4L550 I608 V642L550-V639 HydrophobicContact CD2-CB 4.35Å; L550-V639 HydrophobicContact CD2-CG1 4.19Å; L550-V639 HydrophobicContact CD2-CG2 3.99Å; I608-V639 HydrophobicContact CB-CG2 4.25Å; I608-V639 HydrophobicContact CD1-CB 4.49Å; I608-V639 HydrophobicContact CD1-CG1 4.04Å; I608-V639 HydrophobicContact CD1-CG2 3.58Å; I608-V639 HydrophobicContact CG2-CG2 4.25Å; V639-V642 HydrophobicContact CG1-CG2 3.55Å
640Q86.3Confident84.9Confident95 Ų9553.6 Ų53.644%0.44427%0.271SS..EExtended strand (participates in β ladder)trans-79.4-45.8-176.6-65.4-170.1-1400111.6Q549Q549-Q640 HydrophobicContact CB-CB 4.24Å; Q549-Q640 HydrophobicContact CG-CB 4.08Å; Q549-Q640 PolarHBondContact O-N 2.85Å
641S86.3Confident84.2Confident27 Ų2757 Ų5719%0.18929%0.289CS..EExtended strand (participates in β ladder)trans-148.9148.9176.468.20000111.4Q549Q549-S641 WeakPolarHBondContact CB-OG 3.26Å; Q549-S641 PolarHBondContact N-O 3.09Å; Q549-S641 PolarHBondContact O-N 2.85Å
642V85.3Confident83.5Confident36 Ų3658.6 Ų58.622%0.21830%0.303CS..EExtended strand (participates in β ladder)trans-127.2101171.9178.70000106.3L546 L548 F600 V639L546-V642 HydrophobicContact CD1-CG1 4.25Å; L548-V642 HydrophobicContact CD2-CB 4.17Å; L548-V642 HydrophobicContact CD2-CG1 3.72Å; L548-V642 HydrophobicContact CD2-CG2 3.87Å; F600-V642 HydrophobicContact CE1-CG1 3.85Å; V639-V642 HydrophobicContact CG1-CG2 3.55Å
643E85.2Confident82.5Confident99 Ų9961.1 Ų61.146%0.46332%0.316SS..EExtended strand (participates in β ladder)trans-113.5129.7-175.6-68.6-176-177.500110.8L546 S547 V645L546-E643 CarbonylContact C-O 3.58Å; L546-E643 WeakPolarHBondContact CA-O 3.41Å; S547-E643 PolarHBondContact N-O 2.97Å; S547-E643 PolarHBondContact O-N 3.23Å; E643-V645 PolarHBondContact O-N 2.88Å
644P83.1Confident81.6Confident14 Ų1467.1 Ų67.19%0.09134%0.344CS..EExtended strand (participates in β ladder)trans-60.8133.2166.8-7.616.5000110.2L546 D646 T649 R650 L653L546-P644 HydrophobicContact CD2-CB 4.31Å; P644-D646 VanDerWaalsContact C-N 3.28Å; P644-D646 PolarHBondContact O-N 2.82Å; P644-T649 WeakPolarHBondContact CB-OG1 3.13Å; P644-R650 HydrophobicContact CB-CG 4.1Å; P644-R650 HydrophobicContact CG-CG 3.8Å; P644-R650 VanDerWaalsContact O-CD 3.26Å; P644-R650 WeakPolarHBondContact O-CD 3.47Å; P644-R650 WeakPolarHBondContact O-CG 3.41Å; P644-R650 PolarHBondContact O-NE 2.93Å; P644-L653 HydrophobicContact CG-CD1 3.78Å
645V81Confident80.7Confident54 Ų5473.6 Ų73.633%0.32737%0.372SS..SBendtrans-66.4-38174.8177.70000109.9I537 R545 E643 Q647 R650I537-V645 HydrophobicContact CG2-CG2 4.43Å; R545-V645 HydrophobicContact CB-CB 4.08Å; R545-V645 HydrophobicContact CB-CG2 4.09Å; R545-V645 PolarHBondContact O-N 3.42Å; E643-V645 PolarHBondContact O-N 2.88Å; V645-Q647 PolarHBondContact O-N 2.66Å; V645-R650 PolarHBondContact O-NH2 3.42Å
646D80.3Confident79.8Confident89 Ų8974.1 Ų74.148%0.47638%0.378SS..SBendtrans-70.8125179.717940.1000112.3P644 R648 T649 R650P644-D646 VanDerWaalsContact C-N 3.28Å; P644-D646 PolarHBondContact O-N 2.82Å; D646-R648 VanDerWaalsContact C-N 3.34Å; D646-R648 PolarHBondContact O-N 2.74Å; D646-T649 WeakPolarHBondContact CB-OG1 3.5Å; D646-T649 PolarHBondContact O-N 2.78Å; D646-T649 PolarHBondContact O-OG1 2.84Å; D646-T649 PolarHBondContact OD2-N 3.47Å; D646-R650 PolarHBondContact O-N 2.81Å; D646-R650 VanDerWaalsContact O-N 3.16Å
647Q78.1Confident78.7Confident92 Ų9276.7 Ų76.743%0.4339%0.393SS..Hα-helixtrans-64.1-39.1-176.8-172.568.745.500111.3V645 T649 R650 D651V645-Q647 PolarHBondContact O-N 2.66Å; Q647-T649 VanDerWaalsContact C-N 3.33Å; Q647-T649 PolarHBondContact O-N 2.78Å; Q647-R650 WeakPolarHBondContact O-CB 3.48Å; Q647-R650 PolarHBondContact O-N 3.47Å; Q647-R650 VanDerWaalsContact O-N 3.12Å; Q647-D651 PolarHBondContact NE2-OD1 3.13Å; Q647-D651 VanDerWaalsContact O-CG 3.24Å; Q647-D651 PolarHBondContact O-N 2.96Å
648R79Confident78Confident198 Ų19882.7 Ų82.775%0.74742%0.42SS*.Hα-helixtrans-63-40.5-179.2-173.5-179.5179.7178.60111.6D646 S652D646-R648 VanDerWaalsContact C-N 3.34Å; D646-R648 PolarHBondContact O-N 2.74Å; R648-S652 WeakPolarHBondContact O-CB 3.46Å; R648-S652 PolarHBondContact O-N 2.88Å; R648-S652 VanDerWaalsContact O-N 3.13Å; R648-S652 PolarHBondContact O-OG 3.03Å
649T70.4Confident77.3Confident60 Ų6083.3 Ų83.337%0.36842%0.423SS..Hα-helixtrans-66.3-39.217346.10000113.1P644 D646 Q647 S652 L653P644-T649 WeakPolarHBondContact CB-OG1 3.13Å; D646-T649 WeakPolarHBondContact CB-OG1 3.5Å; D646-T649 PolarHBondContact O-N 2.78Å; D646-T649 PolarHBondContact O-OG1 2.84Å; D646-T649 PolarHBondContact OD2-N 3.47Å; Q647-T649 VanDerWaalsContact C-N 3.33Å; Q647-T649 PolarHBondContact O-N 2.78Å; T649-S652 PolarHBondContact O-N 3.44Å; T649-L653 WeakPolarHBondContact O-CB 3.42Å; T649-L653 PolarHBondContact O-N 2.99Å
650R67.8Low76.5Confident78 Ų7883.8 Ų83.829%0.29443%0.432SS..Hα-helixtrans-61.7-48.5175.5-89.4-172.8-75.7132.76.7112.4P644 V645 D646 Q647 S652 L653 Q654P644-R650 HydrophobicContact CB-CG 4.1Å; P644-R650 HydrophobicContact CG-CG 3.8Å; P644-R650 VanDerWaalsContact O-CD 3.26Å; P644-R650 WeakPolarHBondContact O-CD 3.47Å; P644-R650 WeakPolarHBondContact O-CG 3.41Å; P644-R650 PolarHBondContact O-NE 2.93Å; V645-R650 PolarHBondContact O-NH2 3.42Å; D646-R650 PolarHBondContact O-N 2.81Å; D646-R650 VanDerWaalsContact O-N 3.16Å; Q647-R650 WeakPolarHBondContact O-CB 3.48Å; Q647-R650 PolarHBondContact O-N 3.47Å; Q647-R650 VanDerWaalsContact O-N 3.12Å; R650-S652 VanDerWaalsContact C-N 3.29Å; R650-S652 PolarHBondContact O-N 2.94Å; R650-L653 PolarHBondContact O-N 2.75Å; R650-Q654 PolarHBondContact O-N 2.97Å
651D75.6Confident75.3Confident77 Ų7783.7 Ų83.741%0.41243%0.433SS..Hα-helixtrans-64.1-38.2-179-61.3-15.5000111.1Q647 K655Q647-D651 PolarHBondContact NE2-OD1 3.13Å; Q647-D651 VanDerWaalsContact O-CG 3.24Å; Q647-D651 PolarHBondContact O-N 2.96Å; D651-K655 WeakPolarHBondContact O-CB 3.34Å; D651-K655 PolarHBondContact O-N 3.49Å
652S73.9Confident74.6Confident69 Ų6987.4 Ų87.448%0.48345%0.448SS..Hα-helixtrans-64.9-44.4176.4-57.70000111.6R648 T649 R650 K655 S656R648-S652 WeakPolarHBondContact O-CB 3.46Å; R648-S652 PolarHBondContact O-N 2.88Å; R648-S652 VanDerWaalsContact O-N 3.13Å; R648-S652 PolarHBondContact O-OG 3.03Å; T649-S652 PolarHBondContact O-N 3.44Å; R650-S652 VanDerWaalsContact C-N 3.29Å; R650-S652 PolarHBondContact O-N 2.94Å; S652-K655 PolarHBondContact O-N 3.4Å; S652-S656 PolarHBondContact O-N 3.08Å; S652-S656 VanDerWaalsContact O-N 3.1Å; S652-S656 PolarHBondContact O-OG 2.85Å
653L72.2Confident73.7Confident55 Ų5591.4 Ų91.429%0.28847%0.467SS..Hα-helixtrans-63.6-45.1175.8-92.3151.6000112.2F597 P644 T649 R650 K655 S656 V657F597-L653 HydrophobicContact CZ-CD1 4.29Å; P644-L653 HydrophobicContact CG-CD1 3.78Å; T649-L653 WeakPolarHBondContact O-CB 3.42Å; T649-L653 PolarHBondContact O-N 2.99Å; R650-L653 PolarHBondContact O-N 2.75Å; L653-K655 VanDerWaalsContact C-N 3.33Å; L653-K655 PolarHBondContact O-N 3.38Å; L653-S656 WeakPolarHBondContact O-CB 3.39Å; L653-S656 PolarHBondContact O-N 2.85Å; L653-V657 WeakPolarHBondContact O-CG2 3.35Å; L653-V657 PolarHBondContact O-N 2.8Å
654Q73.6Confident73.2Confident144 Ų14490.7 Ų90.767%0.67347%0.469SS*.Hα-helixtrans-60.3-42.1176.5-89-172.7-24.200112.2R650 S656 V657 Q658R650-Q654 PolarHBondContact O-N 2.97Å; Q654-S656 VanDerWaalsContact C-N 3.32Å; Q654-S656 PolarHBondContact O-N 2.77Å; Q654-V657 PolarHBondContact O-N 3.43Å; Q654-Q658 PolarHBondContact O-N 3Å
655K74.3Confident72.8Confident139 Ų13992.8 Ų92.860%0.60448%0.481SS*.Hα-helixtrans-62.8-39.4176.9-167.3172.7-175177.70111.9D651 S652 L653 Q658 L659D651-K655 WeakPolarHBondContact O-CB 3.34Å; D651-K655 PolarHBondContact O-N 3.49Å; S652-K655 PolarHBondContact O-N 3.4Å; L653-K655 VanDerWaalsContact C-N 3.33Å; L653-K655 PolarHBondContact O-N 3.38Å; K655-Q658 PolarHBondContact O-N 2.94Å; K655-L659 WeakPolarHBondContact O-CG 3.17Å; K655-L659 PolarHBondContact O-N 3.29Å; K655-L659 VanDerWaalsContact O-N 3.15Å
656S69.1Low72.6Confident79 Ų7994.6 Ų94.655%0.55249%0.489SS*.Hα-helixtrans-63.6-39.4173.8-69.10000112.7S652 L653 Q654 A660S652-S656 PolarHBondContact O-N 3.08Å; S652-S656 VanDerWaalsContact O-N 3.1Å; S652-S656 PolarHBondContact O-OG 2.85Å; L653-S656 WeakPolarHBondContact O-CB 3.39Å; L653-S656 PolarHBondContact O-N 2.85Å; Q654-S656 VanDerWaalsContact C-N 3.32Å; Q654-S656 PolarHBondContact O-N 2.77Å; S656-A660 PolarHBondContact O-N 3.04Å; S656-A660 VanDerWaalsContact O-N 3.12Å
657V67.2Low72.6Confident84 Ų8494 Ų9451%0.50949%0.492SS..Hα-helixtrans-68.2-41.7176.7173.90000111.6L653 Q654 L659 A660 I661L653-V657 WeakPolarHBondContact O-CG2 3.35Å; L653-V657 PolarHBondContact O-N 2.8Å; Q654-V657 PolarHBondContact O-N 3.43Å; V657-L659 VanDerWaalsContact C-N 3.34Å; V657-L659 PolarHBondContact O-N 2.81Å; V657-A660 WeakPolarHBondContact O-CB 3.44Å; V657-A660 PolarHBondContact O-N 3.5Å; V657-A660 VanDerWaalsContact O-N 3.17Å; V657-I661 HydrophobicContact CG1-CD1 4.07Å; V657-I661 HydrophobicContact CG1-CG1 4.48Å; V657-I661 WeakPolarHBondContact O-CG1 3.34Å; V657-I661 PolarHBondContact O-N 2.84Å
658Q72.6Confident72.6Confident131 Ų13196 Ų9661%0.61250%0.501SS*.Hα-helixtrans-58.3-46.6176.8-177.6-179.84.900111.6Q654 K655 A660 I661 E662Q654-Q658 PolarHBondContact O-N 3Å; K655-Q658 PolarHBondContact O-N 2.94Å; Q658-A660 VanDerWaalsContact C-N 3.31Å; Q658-A660 PolarHBondContact O-N 3.15Å; Q658-I661 PolarHBondContact O-N 3.47Å; Q658-E662 PolarHBondContact O-N 2.82Å
659L74.4Confident72.5Confident89 Ų8991 Ų9147%0.46649%0.487SS..Hα-helixtrans-61.9-39.7176.7-70.2170.5000111.7K655 V657 E662 I663K655-L659 WeakPolarHBondContact O-CG 3.17Å; K655-L659 PolarHBondContact O-N 3.29Å; K655-L659 VanDerWaalsContact O-N 3.15Å; V657-L659 VanDerWaalsContact C-N 3.34Å; V657-L659 PolarHBondContact O-N 2.81Å; L659-E662 PolarHBondContact O-N 3.08Å; L659-I663 WeakPolarHBondContact O-CD1 3.45Å; L659-I663 VanDerWaalsContact O-CG1 3.22Å; L659-I663 WeakPolarHBondContact O-CG1 3.19Å; L659-I663 PolarHBondContact O-N 2.99Å
660A70.1Confident72.9Confident51 Ų5190.6 Ų90.642%0.42149%0.489SS..Hα-helixtrans-63.7-43.3176.400000111.9S656 V657 Q658 I663 T664S656-A660 PolarHBondContact O-N 3.04Å; S656-A660 VanDerWaalsContact O-N 3.12Å; V657-A660 WeakPolarHBondContact O-CB 3.44Å; V657-A660 PolarHBondContact O-N 3.5Å; V657-A660 VanDerWaalsContact O-N 3.17Å; Q658-A660 VanDerWaalsContact C-N 3.31Å; Q658-A660 PolarHBondContact O-N 3.15Å; A660-I663 PolarHBondContact O-N 3.25Å; A660-T664 WeakPolarHBondContact O-CG2 3.41Å; A660-T664 PolarHBondContact O-N 2.67Å; A660-T664 PolarHBondContact O-OG1 3.18Å; A660-T664 VanDerWaalsContact O-OG1 3.14Å
661I60.9Low73.4Confident92 Ų9289.4 Ų89.447%0.47250%0.497SS..Hα-helixtrans-60.8-50175.7-66.9170.8000109.9V657 Q658 I663 T664 T665V657-I661 HydrophobicContact CG1-CD1 4.07Å; V657-I661 HydrophobicContact CG1-CG1 4.48Å; V657-I661 WeakPolarHBondContact O-CG1 3.34Å; V657-I661 PolarHBondContact O-N 2.84Å; Q658-I661 PolarHBondContact O-N 3.47Å; I661-I663 VanDerWaalsContact C-N 3.3Å; I661-I663 PolarHBondContact O-N 2.99Å; I661-T664 WeakPolarHBondContact CA-OG1 3.21Å; I661-T664 PolarHBondContact O-N 3.43Å; I661-T664 VanDerWaalsContact O-N 3.07Å; I661-T664 PolarHBondContact O-OG1 3.01Å; I661-T665 WeakPolarHBondContact O-CB 3.42Å; I661-T665 PolarHBondContact O-N 2.76Å; I661-T665 PolarHBondContact O-OG1 2.98Å
662E72.4Confident73.5Confident106 Ų10688.6 Ų88.650%0.49550%0.5SS..Hα-helixtrans-55.9-44180-171.8178-177.200112.4Q658 L659 N666Q658-E662 PolarHBondContact O-N 2.82Å; L659-E662 PolarHBondContact O-N 3.08Å; E662-N666 VanDerWaalsContact O-CB 3.27Å; E662-N666 WeakPolarHBondContact O-CB 3.42Å; E662-N666 VanDerWaalsContact O-CG 3.29Å; E662-N666 PolarHBondContact O-N 3.5Å; E662-N666 PolarHBondContact O-ND2 3.21Å
663I66.9Low73.7Confident120 Ų12093.5 Ų93.562%0.61551%0.508SS*.Hα-helixtrans-63.6-45.6176.6-66.3164.9000110.7L659 A660 I661 S667L659-I663 WeakPolarHBondContact O-CD1 3.45Å; L659-I663 VanDerWaalsContact O-CG1 3.22Å; L659-I663 WeakPolarHBondContact O-CG1 3.19Å; L659-I663 PolarHBondContact O-N 2.99Å; A660-I663 PolarHBondContact O-N 3.25Å; I661-I663 VanDerWaalsContact C-N 3.3Å; I661-I663 PolarHBondContact O-N 2.99Å; I663-S667 WeakPolarHBondContact O-CB 3.19Å; I663-S667 PolarHBondContact O-N 3.02Å; I663-S667 VanDerWaalsContact O-N 3.09Å
664T73.7Confident73.9Confident83 Ų8397.4 Ų97.451%0.50953%0.525SS..Hα-helixtrans-69.8-39.9-179.657.50000113.2A660 I661 S667 Q668A660-T664 WeakPolarHBondContact O-CG2 3.41Å; A660-T664 PolarHBondContact O-N 2.67Å; A660-T664 PolarHBondContact O-OG1 3.18Å; A660-T664 VanDerWaalsContact O-OG1 3.14Å; I661-T664 WeakPolarHBondContact CA-OG1 3.21Å; I661-T664 PolarHBondContact O-N 3.43Å; I661-T664 VanDerWaalsContact O-N 3.07Å; I661-T664 PolarHBondContact O-OG1 3.01Å; T664-S667 PolarHBondContact O-N 2.75Å; T664-Q668 WeakPolarHBondContact O-CB 3.46Å; T664-Q668 VanDerWaalsContact O-CG 3.27Å; T664-Q668 WeakPolarHBondContact O-CG 3.25Å; T664-Q668 PolarHBondContact O-N 2.77Å
665T74.4Confident73.9Confident58 Ų5895.4 Ų95.436%0.35652%0.515SS..Hα-helixtrans-66.7-47.8178.7-53.50000110.5I661 S667 Q668 E669I661-T665 WeakPolarHBondContact O-CB 3.42Å; I661-T665 PolarHBondContact O-N 2.76Å; I661-T665 PolarHBondContact O-OG1 2.98Å; T665-S667 PolarHBondContact O-N 3.41Å; T665-Q668 PolarHBondContact O-N 3.02Å; T665-Q668 VanDerWaalsContact O-N 3.13Å; T665-E669 HydrophobicContact CG2-CG 4.31Å; T665-E669 WeakPolarHBondContact O-CB 3.4Å; T665-E669 WeakPolarHBondContact O-CG 3.49Å; T665-E669 PolarHBondContact O-N 2.97Å
666N76.8Confident74.1Confident92 Ų9291.4 Ų91.449%0.49251%0.508SS..Hα-helixtrans-59.7-38.1175.7-76.5-22.5000111.6E662 A670E662-N666 VanDerWaalsContact O-CB 3.27Å; E662-N666 WeakPolarHBondContact O-CB 3.42Å; E662-N666 VanDerWaalsContact O-CG 3.29Å; E662-N666 PolarHBondContact O-N 3.5Å; E662-N666 PolarHBondContact O-ND2 3.21Å; N666-A670 WeakPolarHBondContact O-CB 3.43Å; N666-A670 PolarHBondContact O-N 3.44Å
667S80.5Confident74.7Confident77 Ų7793.9 Ų93.954%0.53851%0.511SS..Hα-helixtrans-66.6-40.6175.8-175.40000112.7I663 T664 T665 A671I663-S667 WeakPolarHBondContact O-CB 3.19Å; I663-S667 PolarHBondContact O-N 3.02Å; I663-S667 VanDerWaalsContact O-N 3.09Å; T664-S667 PolarHBondContact O-N 2.75Å; T665-S667 PolarHBondContact O-N 3.41Å; S667-A671 PolarHBondContact O-N 2.94Å
668Q78.1Confident75.2Confident133 Ų13396.6 Ų96.662%0.62151%0.512SS*.Hα-helixtrans-75.3-40.6-179-72.6-70.5-14.800112.1T664 T665 A670 A671 A672T664-Q668 WeakPolarHBondContact O-CB 3.46Å; T664-Q668 VanDerWaalsContact O-CG 3.27Å; T664-Q668 WeakPolarHBondContact O-CG 3.25Å; T664-Q668 PolarHBondContact O-N 2.77Å; T665-Q668 PolarHBondContact O-N 3.02Å; T665-Q668 VanDerWaalsContact O-N 3.13Å; Q668-A670 VanDerWaalsContact C-N 3.34Å; Q668-A670 PolarHBondContact O-N 2.86Å; Q668-A671 PolarHBondContact O-N 3.45Å; Q668-A672 VanDerWaalsContact O-CB 3.31Å; Q668-A672 WeakPolarHBondContact O-CB 3.25Å; Q668-A672 PolarHBondContact O-N 2.94Å
669E77.2Confident75.4Confident94 Ų9494.9 Ų94.944%0.43951%0.507SS..Hα-helixtrans-62-41.6176-76.7-171.6-176.700111.9T665 A671 A672 R673T665-E669 HydrophobicContact CG2-CG 4.31Å; T665-E669 WeakPolarHBondContact O-CB 3.4Å; T665-E669 WeakPolarHBondContact O-CG 3.49Å; T665-E669 PolarHBondContact O-N 2.97Å; E669-A671 VanDerWaalsContact C-N 3.34Å; E669-A671 PolarHBondContact O-N 2.86Å; E669-A672 PolarHBondContact O-N 3.14Å; E669-R673 WeakPolarHBondContact O-CB 3.34Å; E669-R673 WeakPolarHBondContact O-CG 3.28Å; E669-R673 PolarHBondContact O-N 2.84Å
670A78.7Confident75.6Confident51 Ų5195.3 Ų95.342%0.42151%0.506SS..Hα-helixtrans-61.4-43.7175.800000111.4N666 Q668 H674N666-A670 WeakPolarHBondContact O-CB 3.43Å; N666-A670 PolarHBondContact O-N 3.44Å; Q668-A670 VanDerWaalsContact C-N 3.34Å; Q668-A670 PolarHBondContact O-N 2.86Å; A670-H674 PolarHBondContact O-CD2 2.78Å; A670-H674 PolarHBondContact O-N 3.02Å
671A78.7Confident76.1Confident54 Ų5499.5 Ų99.545%0.44652%0.517SS..Hα-helixtrans-66.1-46.317700000112.1S667 Q668 E669 R673 H674 E675S667-A671 PolarHBondContact O-N 2.94Å; Q668-A671 PolarHBondContact O-N 3.45Å; E669-A671 VanDerWaalsContact C-N 3.34Å; E669-A671 PolarHBondContact O-N 2.86Å; A671-R673 PolarHBondContact O-N 2.97Å; A671-H674 PolarHBondContact O-N 3.48Å; A671-E675 PolarHBondContact O-N 3.48Å; A671-E675 VanDerWaalsContact O-N 3.07Å
672A77.6Confident77Confident59 Ų59101.3 Ų101.349%0.48852%0.524SS..Hα-helixtrans-64.7-40.5-179.200000112.5Q668 E669 E675 A676Q668-A672 VanDerWaalsContact O-CB 3.31Å; Q668-A672 WeakPolarHBondContact O-CB 3.25Å; Q668-A672 PolarHBondContact O-N 2.94Å; E669-A672 PolarHBondContact O-N 3.14Å; A672-E675 PolarHBondContact O-N 3.24Å; A672-A676 VanDerWaalsContact O-CB 3.23Å; A672-A676 WeakPolarHBondContact O-CB 3.48Å; A672-A676 PolarHBondContact O-N 2.83Å
673R77.4Confident77.2Confident172 Ų17298.6 Ų98.665%0.64952%0.52SS*.Hα-helixtrans-61.1-46.6175.9-80-174.9-178.21706.3111.9E669 A671 E675 A676 E677E669-R673 WeakPolarHBondContact O-CB 3.34Å; E669-R673 WeakPolarHBondContact O-CG 3.28Å; E669-R673 PolarHBondContact O-N 2.84Å; A671-R673 PolarHBondContact O-N 2.97Å; R673-E675 VanDerWaalsContact C-N 3.31Å; R673-E675 PolarHBondContact O-N 2.96Å; R673-A676 PolarHBondContact O-N 3.39Å; R673-E677 PolarHBondContact O-N 3.49Å
674H77.3Confident77.7Confident137 Ų137100 Ų10063%0.63452%0.517SS*.Hα-helixtrans-63.1-38.3178.5-82.4-54.3000112.7A670 A671 R678A670-H674 PolarHBondContact O-CD2 2.78Å; A670-H674 PolarHBondContact O-N 3.02Å; A671-H674 PolarHBondContact O-N 3.48Å; H674-R678 PolarHBondContact O-N 3.14Å
675E73.5Confident78.2Confident102 Ų10298 Ų9848%0.47751%0.513SS..Hα-helixtrans-74.1-37178.6-167.5143-130.600112.5A671 A672 R673 R678 L679A671-E675 PolarHBondContact O-N 3.48Å; A671-E675 VanDerWaalsContact O-N 3.07Å; A672-E675 PolarHBondContact O-N 3.24Å; R673-E675 VanDerWaalsContact C-N 3.31Å; R673-E675 PolarHBondContact O-N 2.96Å; E675-R678 PolarHBondContact O-N 3.09Å; E675-R678 IonicContact OE1-CZ 3.82Å; E675-R678 IonicContact OE1-NH2 2.83Å; E675-R678 PolarHBondContact OE1-NH2 2.92Å; E675-L679 HydrophobicContact CG-CD1 4.31Å; E675-L679 PolarHBondContact O-N 2.89Å
676A79.3Confident78.5Confident56 Ų56104.9 Ų104.946%0.46353%0.533SS..Hα-helixtrans-64.5-46.1175.600000112.4A672 R673 R678 L679 E680A672-A676 VanDerWaalsContact O-CB 3.23Å; A672-A676 WeakPolarHBondContact O-CB 3.48Å; A672-A676 PolarHBondContact O-N 2.83Å; R673-A676 PolarHBondContact O-N 3.39Å; A676-R678 VanDerWaalsContact C-N 3.29Å; A676-R678 PolarHBondContact O-N 2.62Å; A676-L679 PolarHBondContact O-N 3.08Å; A676-E680 WeakPolarHBondContact O-CB 3.48Å; A676-E680 PolarHBondContact O-N 3.17Å
677E81.8Confident78.6Confident130 Ų130106 Ų10661%0.60754%0.538SS*.Hα-helixtrans-59.7-40177-78.9-180169.200111.8R673 Q681R673-E677 PolarHBondContact O-N 3.49Å; E677-Q681 PolarHBondContact O-N 3.36Å
678R78Confident78.6Confident141 Ų141107.9 Ų107.953%0.53254%0.538SS..Hα-helixtrans-64.4-46.8177.2-169.3-175.571-148-7.1111.6H674 E675 A676 E682H674-R678 PolarHBondContact O-N 3.14Å; E675-R678 PolarHBondContact O-N 3.09Å; E675-R678 IonicContact OE1-CZ 3.82Å; E675-R678 IonicContact OE1-NH2 2.83Å; E675-R678 PolarHBondContact OE1-NH2 2.92Å; A676-R678 VanDerWaalsContact C-N 3.29Å; A676-R678 PolarHBondContact O-N 2.62Å; R678-E682 PolarHBondContact O-N 3.11Å
679L75.6Confident78.7Confident95 Ų95110.9 Ų110.950%0.49754%0.544SS..Hα-helixtrans-67.8-39.1179.7-89.1162.1000112.7E675 A676 Q681 E682 A683E675-L679 HydrophobicContact CG-CD1 4.31Å; E675-L679 PolarHBondContact O-N 2.89Å; A676-L679 PolarHBondContact O-N 3.08Å; L679-Q681 VanDerWaalsContact C-N 3.29Å; L679-Q681 PolarHBondContact O-N 2.93Å; L679-E682 PolarHBondContact O-N 2.94Å; L679-A683 VanDerWaalsContact O-CB 3.23Å; L679-A683 WeakPolarHBondContact O-CB 3.28Å; L679-A683 PolarHBondContact O-N 2.61Å
680E79Confident78.8Confident98 Ų98111.5 Ų111.546%0.45855%0.547SS..Hα-helixtrans-61.7-40.4179.4-171.9176.9177.800111.2A676 A683 R684A676-E680 WeakPolarHBondContact O-CB 3.48Å; A676-E680 PolarHBondContact O-N 3.17Å; E680-A683 PolarHBondContact O-N 3.44Å; E680-R684 HydrophobicContact CG-CG 4.43Å; E680-R684 WeakPolarHBondContact O-CB 3.49Å; E680-R684 WeakPolarHBondContact O-CG 3.09Å; E680-R684 PolarHBondContact O-N 2.81Å; E680-R684 IonicContact OE1-CZ 2.65Å; E680-R684 VanDerWaalsContact OE1-CZ 3.27Å; E680-R684 IonicContact OE1-NE 2.72Å; E680-R684 PolarHBondContact OE1-NE 3.17Å; E680-R684 IonicContact OE1-NH2 3.02Å; E680-R684 PolarHBondContact OE1-NH2 3.24Å
681Q79.8Confident79Confident139 Ų139116 Ų11665%0.6555%0.553SS**Hα-helixtrans-65.6-41.8179.4-150.771.8-9.600112.2E677 L679 G685E677-Q681 PolarHBondContact O-N 3.36Å; L679-Q681 VanDerWaalsContact C-N 3.29Å; L679-Q681 PolarHBondContact O-N 2.93Å; Q681-G685 PolarHBondContact O-N 2.86Å
682E79.5Confident79.1Confident131 Ų131118.6 Ų118.661%0.61256%0.558SS**Hα-helixtrans-69.9-41176-73.3-174162.500112.3R678 L679 G685 R686R678-E682 PolarHBondContact O-N 3.11Å; L679-E682 PolarHBondContact O-N 2.94Å; E682-G685 PolarHBondContact O-N 2.68Å; E682-R686 PolarHBondContact O-N 3.19Å; E682-R686 VanDerWaalsContact O-N 3.15Å
683A77.6Confident79.4Confident49 Ų49122.3 Ų122.341%0.40557%0.566SS.*Hα-helixtrans-65.6-43.9179.300000111.8L679 E680 G685 R686 L687L679-A683 VanDerWaalsContact O-CB 3.23Å; L679-A683 WeakPolarHBondContact O-CB 3.28Å; L679-A683 PolarHBondContact O-N 2.61Å; E680-A683 PolarHBondContact O-N 3.44Å; A683-G685 VanDerWaalsContact C-N 3.29Å; A683-G685 PolarHBondContact O-N 3.28Å; A683-R686 PolarHBondContact O-N 3Å; A683-L687 WeakPolarHBondContact O-CB 3.49Å; A683-L687 PolarHBondContact O-N 3.41Å
684R77.5Confident79.6Confident149 Ų149118.6 Ų118.656%0.56256%0.558SS**Hα-helixtrans-57.1-42.6174.4-79.1-178.7-177.9-162.23.6111.7E680 R686 L687 E688E680-R684 HydrophobicContact CG-CG 4.43Å; E680-R684 WeakPolarHBondContact O-CB 3.49Å; E680-R684 WeakPolarHBondContact O-CG 3.09Å; E680-R684 PolarHBondContact O-N 2.81Å; E680-R684 IonicContact OE1-CZ 2.65Å; E680-R684 VanDerWaalsContact OE1-CZ 3.27Å; E680-R684 IonicContact OE1-NE 2.72Å; E680-R684 PolarHBondContact OE1-NE 3.17Å; E680-R684 IonicContact OE1-NH2 3.02Å; E680-R684 PolarHBondContact OE1-NH2 3.24Å; R684-R686 PolarHBondContact O-N 2.94Å; R684-L687 PolarHBondContact O-N 2.69Å; R684-E688 PolarHBondContact O-N 3.13Å
685G83Confident79.9Confident42 Ų42117.3 Ų117.343%0.43355%0.553SS.*Hα-helixtrans-64-38177.900000113.9Q681 E682 A683Q681-G685 PolarHBondContact O-N 2.86Å; E682-G685 PolarHBondContact O-N 2.68Å; A683-G685 VanDerWaalsContact C-N 3.29Å; A683-G685 PolarHBondContact O-N 3.28Å
686R80.8Confident80.5Confident202 Ų202115.3 Ų115.376%0.76255%0.553SS**Hα-helixtrans-72.9-43.5173.7-84.2-173.3-175.2162.64.4112.6E682 A683 R684 E688 R689 Q690E682-R686 PolarHBondContact O-N 3.19Å; E682-R686 VanDerWaalsContact O-N 3.15Å; A683-R686 PolarHBondContact O-N 3Å; R684-R686 PolarHBondContact O-N 2.94Å; R686-E688 PolarHBondContact O-N 2.96Å; R686-R689 PolarHBondContact O-N 2.81Å; R686-Q690 WeakPolarHBondContact O-CB 3.5Å; R686-Q690 PolarHBondContact O-N 3.41Å
687L80Confident80.8Confident116 Ų116115.2 Ų115.261%0.60755%0.553SS**Hα-helixtrans-59.7-43.3-179.3-92.7162.3000112A683 R684 R689 Q690 R691A683-L687 WeakPolarHBondContact O-CB 3.49Å; A683-L687 PolarHBondContact O-N 3.41Å; R684-L687 PolarHBondContact O-N 2.69Å; L687-R689 VanDerWaalsContact C-N 3.34Å; L687-R689 PolarHBondContact O-N 3.33Å; L687-Q690 PolarHBondContact O-N 3.04Å; L687-R691 WeakPolarHBondContact O-CB 3.42Å; L687-R691 PolarHBondContact O-N 2.81Å
688E81.1Confident81Confident116 Ų116111.8 Ų111.854%0.54255%0.547SS..Hα-helixtrans-60.2-42.8176.8-83.8-72.8141.500112.1R684 R686 I692R684-E688 PolarHBondContact O-N 3.13Å; R686-E688 PolarHBondContact O-N 2.96Å; E688-I692 WeakPolarHBondContact O-CD1 3.46Å; E688-I692 WeakPolarHBondContact O-CG1 3.39Å; E688-I692 PolarHBondContact O-N 3.34Å
689R79.3Confident81.3Confident195 Ų195109.9 Ų109.974%0.73654%0.544SS*.Hα-helixtrans-66.7-46.9177.2-74-177.3177.2162.71112.2R686 L687 I692 E693R686-R689 PolarHBondContact O-N 2.81Å; L687-R689 VanDerWaalsContact C-N 3.34Å; L687-R689 PolarHBondContact O-N 3.33Å; R689-I692 PolarHBondContact O-N 2.96Å; R689-E693 PolarHBondContact O-N 2.77Å
690Q79.2Confident81.7Confident107 Ų107111.9 Ų111.950%0.555%0.55SS.*Hα-helixtrans-68.6-36.8-178.2-172.2162.5-0.800111.8R686 L687 I692 E693 D694R686-Q690 WeakPolarHBondContact O-CB 3.5Å; R686-Q690 PolarHBondContact O-N 3.41Å; L687-Q690 PolarHBondContact O-N 3.04Å; Q690-I692 VanDerWaalsContact C-N 3.3Å; Q690-I692 PolarHBondContact O-N 3.47Å; Q690-E693 PolarHBondContact O-N 3.04Å; Q690-E693 VanDerWaalsContact O-N 3.17Å; Q690-D694 WeakPolarHBondContact O-CB 3.42Å; Q690-D694 PolarHBondContact O-N 3.33Å
691R83.6Confident82.1Confident145 Ų145110 Ų11055%0.54755%0.552SS.*Hα-helixtrans-57.7-42.3174.5-178.4-178.7-178.9171.25.7112L687 E695L687-R691 WeakPolarHBondContact O-CB 3.42Å; L687-R691 PolarHBondContact O-N 2.81Å; R691-E695 HydrophobicContact CG-CG 4.4Å; R691-E695 IonicContact CZ-OE1 3.18Å; R691-E695 IonicContact NE-OE1 3.34Å; R691-E695 PolarHBondContact NE-OE1 3.07Å; R691-E695 IonicContact NH2-OE1 2.78Å; R691-E695 VanDerWaalsContact O-CB 3.29Å; R691-E695 WeakPolarHBondContact O-CB 3.3Å; R691-E695 WeakPolarHBondContact O-CG 3.15Å; R691-E695 PolarHBondContact O-N 3Å
692I80.7Confident82.3Confident110 Ų110112.8 Ų112.856%0.56456%0.557SS**Hα-helixtrans-64.6-42.5177.9-66.6166000110.8E688 R689 Q690 A696E688-I692 WeakPolarHBondContact O-CD1 3.46Å; E688-I692 WeakPolarHBondContact O-CG1 3.39Å; E688-I692 PolarHBondContact O-N 3.34Å; R689-I692 PolarHBondContact O-N 2.96Å; Q690-I692 VanDerWaalsContact C-N 3.3Å; Q690-I692 PolarHBondContact O-N 3.47Å; I692-A696 WeakPolarHBondContact O-CB 3.38Å; I692-A696 PolarHBondContact O-N 3.4Å; I692-A696 VanDerWaalsContact O-N 3.12Å
693E82.7Confident82.6Confident137 Ų137114.6 Ų114.664%0.6456%0.558SS**Hα-helixtrans-66.8-44.2177.7-70.3178.617100112.1R689 Q690 A696 A697R689-E693 PolarHBondContact O-N 2.77Å; Q690-E693 PolarHBondContact O-N 3.04Å; Q690-E693 VanDerWaalsContact O-N 3.17Å; E693-A696 PolarHBondContact O-N 3.03Å; E693-A697 WeakPolarHBondContact O-CB 3.38Å; E693-A697 PolarHBondContact O-N 2.7Å
694D83Confident83.1Confident93 Ų93117 Ų11750%0.49756%0.564SS.*Hα-helixtrans-66.2-41.3178-72.5-20.4000111.5Q690 A696 A697 A698Q690-D694 WeakPolarHBondContact O-CB 3.42Å; Q690-D694 PolarHBondContact O-N 3.33Å; D694-A696 VanDerWaalsContact C-N 3.33Å; D694-A696 PolarHBondContact O-N 3.18Å; D694-A697 PolarHBondContact O-N 2.87Å; D694-A698 WeakPolarHBondContact O-CB 3.32Å; D694-A698 PolarHBondContact O-N 2.7Å
695E83.2Confident83.4Confident111 Ų111114.2 Ų114.252%0.51956%0.56SS.*Hα-helixtrans-62.8-40.1175.3-80.5179.2-171.100111.2R691 E699R691-E695 HydrophobicContact CG-CG 4.4Å; R691-E695 IonicContact CZ-OE1 3.18Å; R691-E695 IonicContact NE-OE1 3.34Å; R691-E695 PolarHBondContact NE-OE1 3.07Å; R691-E695 IonicContact NH2-OE1 2.78Å; R691-E695 VanDerWaalsContact O-CB 3.29Å; R691-E695 WeakPolarHBondContact O-CB 3.3Å; R691-E695 WeakPolarHBondContact O-CG 3.15Å; R691-E695 PolarHBondContact O-N 3Å; E695-E699 PolarHBondContact O-N 3.08Å
696A85.8Confident83.6Confident59 Ų59117.5 Ų117.549%0.48857%0.567SS.*Hα-helixtrans-65.9-44.5176.100000112.5I692 E693 D694 E699 Q700I692-A696 WeakPolarHBondContact O-CB 3.38Å; I692-A696 PolarHBondContact O-N 3.4Å; I692-A696 VanDerWaalsContact O-N 3.12Å; E693-A696 PolarHBondContact O-N 3.03Å; D694-A696 VanDerWaalsContact C-N 3.33Å; D694-A696 PolarHBondContact O-N 3.18Å; A696-E699 PolarHBondContact O-N 2.79Å; A696-Q700 PolarHBondContact O-N 3.33Å
697A85.4Confident83.9Confident54 Ų54113.6 Ų113.645%0.44656%0.557SS.*Hα-helixtrans-67.1-39.717700000112E693 D694 Q700 A701E693-A697 WeakPolarHBondContact O-CB 3.38Å; E693-A697 PolarHBondContact O-N 2.7Å; D694-A697 PolarHBondContact O-N 2.87Å; A697-Q700 PolarHBondContact O-N 3.47Å; A697-A701 PolarHBondContact O-N 2.68Å
698A85.8Confident84.2Confident58 Ų58112.8 Ų112.848%0.47955%0.552SS.*Hα-helixtrans-64.1-39.2176.600000111.9D694 A701 R702D694-A698 WeakPolarHBondContact O-CB 3.32Å; D694-A698 PolarHBondContact O-N 2.7Å; A698-A701 PolarHBondContact O-N 3.06Å; A698-R702 VanDerWaalsContact O-CB 3.23Å; A698-R702 WeakPolarHBondContact O-CB 3.38Å; A698-R702 PolarHBondContact O-N 3.05Å
699E83.8Confident84.2Confident102 Ų102115 Ų11548%0.47756%0.556SS.*Hα-helixtrans-61.8-46.9175.7-145.3-69.3144.200111.1E695 A696 A701 R702 R703E695-E699 PolarHBondContact O-N 3.08Å; A696-E699 PolarHBondContact O-N 2.79Å; E699-A701 PolarHBondContact O-N 3.35Å; E699-R702 PolarHBondContact O-N 2.93Å; E699-R703 PolarHBondContact O-N 2.76Å; E699-R703 IonicContact OE2-NH1 3.44Å; E699-R703 PolarHBondContact OE2-NH1 3.04Å
700Q84.9Confident84.4Confident136 Ų136110.5 Ų110.564%0.63655%0.549SS*.Hα-helixtrans-59.2-47.7176.4-79.5-178.7-18.500112.5A696 A697 R702 R703 N704A696-Q700 PolarHBondContact O-N 3.33Å; A697-Q700 PolarHBondContact O-N 3.47Å; Q700-R702 VanDerWaalsContact C-N 3.33Å; Q700-R702 PolarHBondContact O-N 3.3Å; Q700-R703 WeakPolarHBondContact O-CB 3.31Å; Q700-R703 PolarHBondContact O-N 3.01Å; Q700-N704 PolarHBondContact O-N 2.87Å
701A86.6Confident84.6Confident59 Ų59111.3 Ų111.349%0.48855%0.553SS.*Hα-helixtrans-63.2-39.8178.600000112A697 A698 E699 R703 N704 L705A697-A701 PolarHBondContact O-N 2.68Å; A698-A701 PolarHBondContact O-N 3.06Å; E699-A701 PolarHBondContact O-N 3.35Å; A701-R703 VanDerWaalsContact C-N 3.31Å; A701-R703 PolarHBondContact O-N 3.5Å; A701-N704 PolarHBondContact O-N 2.75Å; A701-L705 WeakPolarHBondContact O-CB 3.3Å; A701-L705 PolarHBondContact O-N 2.89Å
702R83.9Confident84.4Confident198 Ų198108.5 Ų108.575%0.74755%0.549SS*.Hα-helixtrans-64.7-36.9178.9-158.1177.1-161.1160.54.1111.7A698 E699 Q700 L706A698-R702 VanDerWaalsContact O-CB 3.23Å; A698-R702 WeakPolarHBondContact O-CB 3.38Å; A698-R702 PolarHBondContact O-N 3.05Å; E699-R702 PolarHBondContact O-N 2.93Å; Q700-R702 VanDerWaalsContact C-N 3.33Å; Q700-R702 PolarHBondContact O-N 3.3Å; R702-L706 WeakPolarHBondContact O-CB 3.47Å; R702-L706 PolarHBondContact O-N 2.93Å
703R86.5Confident84.5Confident168 Ų168106 Ų10663%0.63454%0.544SS*.Hα-helixtrans-60.7-48.3174.7-136.3-179.3-174.4129.4-5.8111.9E699 Q700 A701 L706 E707E699-R703 PolarHBondContact O-N 2.76Å; E699-R703 IonicContact OE2-NH1 3.44Å; E699-R703 PolarHBondContact OE2-NH1 3.04Å; Q700-R703 WeakPolarHBondContact O-CB 3.31Å; Q700-R703 PolarHBondContact O-N 3.01Å; A701-R703 VanDerWaalsContact C-N 3.31Å; A701-R703 PolarHBondContact O-N 3.5Å; R703-L706 PolarHBondContact O-N 2.81Å; R703-E707 PolarHBondContact O-N 2.84Å; R703-E707 VanDerWaalsContact O-N 3.13Å
704N87.6Confident84.7Confident99 Ų99102 Ų10253%0.52954%0.535SS..Hα-helixtrans-66.3-41.7178.9-66.4-9.6000112.2Q700 A701 L706 E707 I708Q700-N704 PolarHBondContact O-N 2.87Å; A701-N704 PolarHBondContact O-N 2.75Å; N704-L706 VanDerWaalsContact C-N 3.3Å; N704-L706 PolarHBondContact O-N 3.49Å; N704-E707 PolarHBondContact O-N 3.05Å; N704-I708 WeakPolarHBondContact O-CG1 3.38Å; N704-I708 PolarHBondContact O-N 2.96Å
705L85.2Confident84.5Confident92 Ų92103.2 Ų103.248%0.48254%0.54SS..Hα-helixtrans-64.1-39.1178-152.6173.3000110.8A701 E707 I708 R709A701-L705 WeakPolarHBondContact O-CB 3.3Å; A701-L705 PolarHBondContact O-N 2.89Å; L705-E707 VanDerWaalsContact C-N 3.35Å; L705-I708 PolarHBondContact O-N 3.49Å; L705-R709 HydrophobicContact CD2-CG 3.94Å; L705-R709 WeakPolarHBondContact O-CB 3.16Å; L705-R709 PolarHBondContact O-N 2.96Å
706L86.3Confident84.1Confident111 Ų111103.4 Ų103.458%0.58154%0.542SS*.Hα-helixtrans-62.4-42.5175.7-169.668.2000111.6R702 R703 N704 R709 V710R702-L706 WeakPolarHBondContact O-CB 3.47Å; R702-L706 PolarHBondContact O-N 2.93Å; R703-L706 PolarHBondContact O-N 2.81Å; N704-L706 VanDerWaalsContact C-N 3.3Å; N704-L706 PolarHBondContact O-N 3.49Å; L706-R709 PolarHBondContact O-N 2.91Å; L706-V710 WeakPolarHBondContact O-CG2 3.34Å; L706-V710 PolarHBondContact O-N 3.18Å
707E87.7Confident84Confident120 Ų120104.2 Ų104.256%0.56154%0.544SS*.Hα-helixtrans-61.8-46.6176.7-167.8175.6-165.400112.1R703 N704 L705 R709 V710 Q711R703-E707 PolarHBondContact O-N 2.84Å; R703-E707 VanDerWaalsContact O-N 3.13Å; N704-E707 PolarHBondContact O-N 3.05Å; L705-E707 VanDerWaalsContact C-N 3.35Å; E707-R709 PolarHBondContact O-N 2.68Å; E707-V710 PolarHBondContact O-N 3.24Å; E707-Q711 PolarHBondContact O-N 2.84Å; E707-Q711 VanDerWaalsContact O-N 3.14Å
708I85.1Confident83.8Confident98 Ų98107.2 Ų107.250%0.50355%0.552SS.*Hα-helixtrans-62.7-41.3176.1-68.5169.8000111.3N704 L705 V710 Q711 L712N704-I708 WeakPolarHBondContact O-CG1 3.38Å; N704-I708 PolarHBondContact O-N 2.96Å; L705-I708 PolarHBondContact O-N 3.49Å; I708-V710 VanDerWaalsContact C-N 3.35Å; I708-V710 PolarHBondContact O-N 2.8Å; I708-Q711 PolarHBondContact O-N 2.81Å; I708-L712 HydrophobicContact CG2-CD1 3.93Å; I708-L712 WeakPolarHBondContact O-CB 3.49Å; I708-L712 PolarHBondContact O-N 2.78Å
709R82.2Confident83.5Confident164 Ų164107.7 Ų107.762%0.61955%0.552SS**Hα-helixtrans-61.6-41.1175.9-89.2-172.7-169.8179.23.7112.6L705 L706 E707 Q711 L712 A713L705-R709 HydrophobicContact CD2-CG 3.94Å; L705-R709 WeakPolarHBondContact O-CB 3.16Å; L705-R709 PolarHBondContact O-N 2.96Å; L706-R709 PolarHBondContact O-N 2.91Å; E707-R709 PolarHBondContact O-N 2.68Å; R709-Q711 VanDerWaalsContact C-N 3.3Å; R709-Q711 PolarHBondContact O-N 3.07Å; R709-L712 PolarHBondContact O-N 2.99Å; R709-A713 VanDerWaalsContact O-CB 3.31Å; R709-A713 WeakPolarHBondContact O-CB 3.4Å; R709-A713 PolarHBondContact O-N 3.49Å
710V84.1Confident83.4Confident99 Ų99108.6 Ų108.660%0.656%0.556SS**Hα-helixtrans-62.4-40.7177.3170.20000110.4L706 E707 I708 A714L706-V710 WeakPolarHBondContact O-CG2 3.34Å; L706-V710 PolarHBondContact O-N 3.18Å; E707-V710 PolarHBondContact O-N 3.24Å; I708-V710 VanDerWaalsContact C-N 3.35Å; I708-V710 PolarHBondContact O-N 2.8Å; V710-A714 WeakPolarHBondContact O-CB 3.29Å; V710-A714 PolarHBondContact O-N 3.47Å
711Q82.7Confident83.3Confident125 Ų125104.8 Ų104.858%0.58455%0.548SS*.Hα-helixtrans-66.9-43.7175.6-68.1-178.40.700112.7E707 I708 R709 A714 L715E707-Q711 PolarHBondContact O-N 2.84Å; E707-Q711 VanDerWaalsContact O-N 3.14Å; I708-Q711 PolarHBondContact O-N 2.81Å; R709-Q711 VanDerWaalsContact C-N 3.3Å; R709-Q711 PolarHBondContact O-N 3.07Å; Q711-A714 PolarHBondContact O-N 3.37Å; Q711-L715 PolarHBondContact O-N 2.84Å
712L80Confident83.3Confident86 Ų86108.2 Ų108.245%0.4555%0.552SS.*Hα-helixtrans-64-45.2177.7-101.7155.1000112.2I708 R709 A714 L715 E716I708-L712 HydrophobicContact CG2-CD1 3.93Å; I708-L712 WeakPolarHBondContact O-CB 3.49Å; I708-L712 PolarHBondContact O-N 2.78Å; R709-L712 PolarHBondContact O-N 2.99Å; L712-A714 VanDerWaalsContact C-N 3.3Å; L712-A714 PolarHBondContact O-N 3.36Å; L712-L715 WeakPolarHBondContact O-CB 3.22Å; L712-L715 PolarHBondContact O-N 3.37Å; L712-L715 VanDerWaalsContact O-N 3.11Å; L712-E716 WeakPolarHBondContact O-CB 3.5Å; L712-E716 WeakPolarHBondContact O-CG 3.48Å; L712-E716 PolarHBondContact O-N 3.02Å
713A82.3Confident83Confident56 Ų56101.4 Ų101.446%0.46354%0.538SS..Hα-helixtrans-62.2-38.4178.200000112.1R709 S717R709-A713 VanDerWaalsContact O-CB 3.31Å; R709-A713 WeakPolarHBondContact O-CB 3.4Å; R709-A713 PolarHBondContact O-N 3.49Å; A713-S717 WeakPolarHBondContact O-CB 3.47Å; A713-S717 PolarHBondContact O-N 2.88Å
714A85.7Confident82.8Confident54 Ų5499.2 Ų99.245%0.44654%0.535SS..Hα-helixtrans-66.2-37.517400000112.4V710 Q711 L712 N718V710-A714 WeakPolarHBondContact O-CB 3.29Å; V710-A714 PolarHBondContact O-N 3.47Å; Q711-A714 PolarHBondContact O-N 3.37Å; L712-A714 VanDerWaalsContact C-N 3.3Å; L712-A714 PolarHBondContact O-N 3.36Å; A714-N718 PolarHBondContact O-N 3.46Å; A714-N718 PolarHBondContact O-ND2 3.01Å
715L79.7Confident82.6Confident118 Ų11897.4 Ų97.462%0.61853%0.533SS*.Hα-helixtrans-69.9-46.5176.6-171.377.4000111.9Q711 L712 N718 S719Q711-L715 PolarHBondContact O-N 2.84Å; L712-L715 WeakPolarHBondContact O-CB 3.22Å; L712-L715 PolarHBondContact O-N 3.37Å; L712-L715 VanDerWaalsContact O-N 3.11Å; L715-N718 PolarHBondContact O-N 2.85Å; L715-S719 WeakPolarHBondContact O-CB 3.47Å; L715-S719 PolarHBondContact O-N 3.39Å; L715-S719 PolarHBondContact O-OG 2.95Å
716E75.5Confident82.8Confident116 Ų11698.4 Ų98.454%0.54254%0.536SS..Hα-helixtrans-57.9-50.8177.8-78.6-178.2165.500110.6L712 N718 S719 Q720L712-E716 WeakPolarHBondContact O-CB 3.5Å; L712-E716 WeakPolarHBondContact O-CG 3.48Å; L712-E716 PolarHBondContact O-N 3.02Å; E716-N718 VanDerWaalsContact C-N 3.3Å; E716-N718 PolarHBondContact O-N 3.4Å; E716-S719 WeakPolarHBondContact CA-OG 3.4Å; E716-S719 PolarHBondContact O-N 2.82Å; E716-S719 VanDerWaalsContact O-N 3.13Å; E716-S719 PolarHBondContact O-OG 3.36Å; E716-Q720 VanDerWaalsContact O-CB 3.32Å; E716-Q720 WeakPolarHBondContact O-CB 3.43Å; E716-Q720 PolarHBondContact O-N 2.74Å
717S83Confident82.6Confident76 Ų7696.6 Ų96.653%0.53153%0.532SS..Hα-helixtrans-58.3-40.3178.9-1750000112.8A713 A721A713-S717 WeakPolarHBondContact O-CB 3.47Å; A713-S717 PolarHBondContact O-N 2.88Å; S717-A721 WeakPolarHBondContact O-CB 3.43Å; S717-A721 PolarHBondContact O-N 2.59Å
718N82.4Confident82.5Confident117 Ų11799.8 Ų99.863%0.62654%0.539SS*.Hα-helixtrans-70.7-40.2176.8-79.7-28.4000112.2A714 L715 E716 K722A714-N718 PolarHBondContact O-N 3.46Å; A714-N718 PolarHBondContact O-ND2 3.01Å; L715-N718 PolarHBondContact O-N 2.85Å; E716-N718 VanDerWaalsContact C-N 3.3Å; E716-N718 PolarHBondContact O-N 3.4Å; N718-K722 WeakPolarHBondContact O-CB 3.37Å; N718-K722 PolarHBondContact O-N 3.44Å; N718-K722 VanDerWaalsContact O-N 3.11Å
719S77.8Confident82.6Confident68 Ų6898 Ų9848%0.47654%0.54SS..Hα-helixtrans-68.5-39.418070.20000112.3L715 E716 K722 A723L715-S719 WeakPolarHBondContact O-CB 3.47Å; L715-S719 PolarHBondContact O-N 3.39Å; L715-S719 PolarHBondContact O-OG 2.95Å; E716-S719 WeakPolarHBondContact CA-OG 3.4Å; E716-S719 PolarHBondContact O-N 2.82Å; E716-S719 VanDerWaalsContact O-N 3.13Å; E716-S719 PolarHBondContact O-OG 3.36Å; S719-K722 PolarHBondContact O-N 2.93Å; S719-A723 WeakPolarHBondContact O-CB 3.46Å; S719-A723 PolarHBondContact O-N 3.1Å
720Q82.7Confident82.8Confident120 Ų12093.8 Ų93.856%0.56153%0.527SS*.Hα-helixtrans-68-45.2179.7-158.2171.714.400110.6E716 K722 A723 E724E716-Q720 VanDerWaalsContact O-CB 3.32Å; E716-Q720 WeakPolarHBondContact O-CB 3.43Å; E716-Q720 PolarHBondContact O-N 2.74Å; Q720-K722 VanDerWaalsContact C-N 3.31Å; Q720-K722 PolarHBondContact O-N 2.68Å; Q720-A723 PolarHBondContact O-N 3.04Å; Q720-E724 WeakPolarHBondContact O-CB 3.38Å; Q720-E724 WeakPolarHBondContact O-CG 3.5Å; Q720-E724 PolarHBondContact O-N 3.34Å
721A82.8Confident83.1Confident56 Ų5691.7 Ų91.746%0.46352%0.52SS..Hα-helixtrans-60.4-38.6174.100000112.6S717 A725S717-A721 WeakPolarHBondContact O-CB 3.43Å; S717-A721 PolarHBondContact O-N 2.59Å; A721-A725 WeakPolarHBondContact O-CB 3.5Å; A721-A725 PolarHBondContact O-N 3.07Å
722K85.2Confident83.4Confident132 Ų13290.4 Ų90.457%0.57452%0.517SS*.Hα-helixtrans-68.3-46.1176.7-171.9177.5176-175.90112.1N718 S719 Q720 E724 A725 E726N718-K722 WeakPolarHBondContact O-CB 3.37Å; N718-K722 PolarHBondContact O-N 3.44Å; N718-K722 VanDerWaalsContact O-N 3.11Å; S719-K722 PolarHBondContact O-N 2.93Å; Q720-K722 VanDerWaalsContact C-N 3.31Å; Q720-K722 PolarHBondContact O-N 2.68Å; K722-E724 PolarHBondContact O-N 2.99Å; K722-A725 PolarHBondContact O-N 2.8Å; K722-E726 WeakPolarHBondContact CE-OE1 3.46Å; K722-E726 WeakPolarHBondContact O-CG 3.34Å; K722-E726 PolarHBondContact O-N 2.82Å
723A78.4Confident84Confident55 Ų5593.3 Ų93.346%0.45552%0.522SS..Hα-helixtrans-64.2-39.4178.500000112.2S719 Q720 S727S719-A723 WeakPolarHBondContact O-CB 3.46Å; S719-A723 PolarHBondContact O-N 3.1Å; Q720-A723 PolarHBondContact O-N 3.04Å; A723-S727 VanDerWaalsContact O-CB 3.27Å; A723-S727 WeakPolarHBondContact O-CB 3.45Å; A723-S727 PolarHBondContact O-N 3.44Å; A723-S727 PolarHBondContact O-OG 3.08Å
724E81.6Confident84.1Confident121 Ų12195.3 Ų95.357%0.56552%0.524SS*.Hα-helixtrans-65.7-40.5174-76-179.5-177.800112.1Q720 K722 S727 R728Q720-E724 WeakPolarHBondContact O-CB 3.38Å; Q720-E724 WeakPolarHBondContact O-CG 3.5Å; Q720-E724 PolarHBondContact O-N 3.34Å; K722-E724 PolarHBondContact O-N 2.99Å; E724-S727 WeakPolarHBondContact CA-OG 3.47Å; E724-S727 PolarHBondContact O-OG 3.43Å; E724-S727 VanDerWaalsContact O-OG 3.06Å; E724-R728 WeakPolarHBondContact O-CB 3.41Å; E724-R728 PolarHBondContact O-N 2.96Å
725A84.7Confident84.1Confident61 Ų6196.5 Ų96.550%0.50453%0.529SS..Hα-helixtrans-65.1-44.4176.200000112.3A721 K722 A729A721-A725 WeakPolarHBondContact O-CB 3.5Å; A721-A725 PolarHBondContact O-N 3.07Å; K722-A725 PolarHBondContact O-N 2.8Å; A725-A729 WeakPolarHBondContact O-CB 3.45Å; A725-A729 PolarHBondContact O-N 3.24Å
726E88.9Confident84.4Confident114 Ų11494.4 Ų94.453%0.53352%0.524SS..Hα-helixtrans-66.6-46.2178.2-74.2176.2-179.700111.8K722 R728 A729 E730K722-E726 WeakPolarHBondContact CE-OE1 3.46Å; K722-E726 WeakPolarHBondContact O-CG 3.34Å; K722-E726 PolarHBondContact O-N 2.82Å; E726-R728 VanDerWaalsContact C-N 3.35Å; E726-R728 PolarHBondContact O-N 3.48Å; E726-A729 PolarHBondContact O-N 3.46Å; E726-E730 WeakPolarHBondContact O-CB 3.45Å; E726-E730 PolarHBondContact O-N 2.94Å
727S82.3Confident85Confident72 Ų7294.1 Ų94.150%0.50352%0.523SS..Hα-helixtrans-63.2-39177.556.50000112.5A723 E724 E730 A731A723-S727 VanDerWaalsContact O-CB 3.27Å; A723-S727 WeakPolarHBondContact O-CB 3.45Å; A723-S727 PolarHBondContact O-N 3.44Å; A723-S727 PolarHBondContact O-OG 3.08Å; E724-S727 WeakPolarHBondContact CA-OG 3.47Å; E724-S727 PolarHBondContact O-OG 3.43Å; E724-S727 VanDerWaalsContact O-OG 3.06Å; S727-E730 PolarHBondContact O-N 2.76Å; S727-A731 VanDerWaalsContact O-CB 3.32Å; S727-A731 WeakPolarHBondContact O-CB 3.45Å; S727-A731 PolarHBondContact O-N 2.85Å
728R84.9Confident85.2Confident187 Ų18793 Ų9371%0.70652%0.518SS*.Hα-helixtrans-67.9-39.1176.1-168174.5-175.7-174.40.9112.4E724 E726 N732E724-R728 WeakPolarHBondContact O-CB 3.41Å; E724-R728 PolarHBondContact O-N 2.96Å; E726-R728 VanDerWaalsContact C-N 3.35Å; E726-R728 PolarHBondContact O-N 3.48Å; R728-N732 WeakPolarHBondContact O-CB 3.48Å; R728-N732 VanDerWaalsContact O-CG 3.24Å; R728-N732 PolarHBondContact O-N 3.38Å; R728-N732 VanDerWaalsContact O-N 3.15Å; R728-N732 PolarHBondContact O-ND2 3.06Å
729A87.3Confident85.6Confident62 Ų6289.9 Ų89.951%0.51251%0.509SS..Hα-helixtrans-63.9-42.9174.600000111.5A725 E726 N732 R733A725-A729 WeakPolarHBondContact O-CB 3.45Å; A725-A729 PolarHBondContact O-N 3.24Å; E726-A729 PolarHBondContact O-N 3.46Å; A729-N732 PolarHBondContact O-N 2.9Å; A729-R733 PolarHBondContact O-N 2.86Å; A729-R733 VanDerWaalsContact O-N 3.08Å
730E87.5Confident86.3Confident75 Ų7590.6 Ų90.635%0.3551%0.51SS..Hα-helixtrans-68.3-43.2179.3-174.755.7-156.600112.4E726 S727 N732 R733 I734E726-E730 WeakPolarHBondContact O-CB 3.45Å; E726-E730 PolarHBondContact O-N 2.94Å; S727-E730 PolarHBondContact O-N 2.76Å; E730-N732 VanDerWaalsContact C-N 3.31Å; E730-N732 PolarHBondContact O-N 3.47Å; E730-R733 VanDerWaalsContact CD-NH2 3.27Å; E730-R733 WeakPolarHBondContact O-CB 3.36Å; E730-R733 PolarHBondContact O-N 2.87Å; E730-R733 VanDerWaalsContact O-N 3.13Å; E730-R733 IonicContact OE1-CZ 3.7Å; E730-R733 IonicContact OE1-NE 3.29Å; E730-R733 PolarHBondContact OE1-NE 3.43Å; E730-R733 IonicContact OE1-NH2 2.7Å; E730-R733 PolarHBondContact OE1-NH2 3.07Å; E730-R733 IonicContact OE2-CZ 3.4Å; E730-R733 VanDerWaalsContact OE2-CZ 3.28Å; E730-R733 IonicContact OE2-NE 3.7Å; E730-R733 PolarHBondContact OE2-NE 3.3Å; E730-R733 IonicContact OE2-NH2 3.54Å; E730-R733 PolarHBondContact OE2-NH2 3.47Å; E730-R733 VanDerWaalsContact OE2-NH2 3.11Å; E730-I734 HydrophobicContact CG-CD1 4.15Å; E730-I734 WeakPolarHBondContact O-CG1 3.34Å; E730-I734 PolarHBondContact O-N 3.22Å
731A89.6Confident86.6Confident55 Ų5590.2 Ų90.246%0.45551%0.508SS..Hα-helixtrans-58.6-42.9174.900000111.9S727 R733 I734 S735S727-A731 VanDerWaalsContact O-CB 3.32Å; S727-A731 WeakPolarHBondContact O-CB 3.45Å; S727-A731 PolarHBondContact O-N 2.85Å; A731-R733 VanDerWaalsContact C-N 3.34Å; A731-R733 PolarHBondContact O-N 2.97Å; A731-I734 PolarHBondContact O-N 2.87Å; A731-S735 WeakPolarHBondContact O-CB 3.38Å; A731-S735 PolarHBondContact O-N 2.86Å
732N90.2Very high87Confident97 Ų9792 Ų9252%0.51951%0.507SS..Hα-helixtrans-64.6-37.4176.2-73.1-15.3000112.3R728 A729 E730 S736R728-N732 WeakPolarHBondContact O-CB 3.48Å; R728-N732 VanDerWaalsContact O-CG 3.24Å; R728-N732 PolarHBondContact O-N 3.38Å; R728-N732 VanDerWaalsContact O-N 3.15Å; R728-N732 PolarHBondContact O-ND2 3.06Å; A729-N732 PolarHBondContact O-N 2.9Å; E730-N732 VanDerWaalsContact C-N 3.31Å; E730-N732 PolarHBondContact O-N 3.47Å; N732-S736 WeakPolarHBondContact O-CB 3.43Å; N732-S736 PolarHBondContact O-N 3.4Å; N732-S736 PolarHBondContact O-OG 3.33Å
733R90.7Very high87.2Confident148 Ų14888.5 Ų88.556%0.55850%0.502SS*.Hα-helixtrans-63.4-50.3176.4-173.2177.974.1127.92.8111.2A729 E730 A731 S736 Q737A729-R733 PolarHBondContact O-N 2.86Å; A729-R733 VanDerWaalsContact O-N 3.08Å; E730-R733 VanDerWaalsContact CD-NH2 3.27Å; E730-R733 WeakPolarHBondContact O-CB 3.36Å; E730-R733 PolarHBondContact O-N 2.87Å; E730-R733 VanDerWaalsContact O-N 3.13Å; E730-R733 IonicContact OE1-CZ 3.7Å; E730-R733 IonicContact OE1-NE 3.29Å; E730-R733 PolarHBondContact OE1-NE 3.43Å; E730-R733 IonicContact OE1-NH2 2.7Å; E730-R733 PolarHBondContact OE1-NH2 3.07Å; E730-R733 IonicContact OE2-CZ 3.4Å; E730-R733 VanDerWaalsContact OE2-CZ 3.28Å; E730-R733 IonicContact OE2-NE 3.7Å; E730-R733 PolarHBondContact OE2-NE 3.3Å; E730-R733 IonicContact OE2-NH2 3.54Å; E730-R733 PolarHBondContact OE2-NH2 3.47Å; E730-R733 VanDerWaalsContact OE2-NH2 3.11Å; A731-R733 VanDerWaalsContact C-N 3.34Å; A731-R733 PolarHBondContact O-N 2.97Å; R733-S736 PolarHBondContact O-N 2.9Å; R733-Q737 WeakPolarHBondContact O-CB 3.5Å; R733-Q737 PolarHBondContact O-N 2.87Å
734I85.6Confident87.8Confident97 Ų9792.2 Ų92.250%0.49751%0.508SS..Hα-helixtrans-61.1-47.6179.2-65.7169.8000110.5E730 A731 S736 Q737 A738E730-I734 HydrophobicContact CG-CD1 4.15Å; E730-I734 WeakPolarHBondContact O-CG1 3.34Å; E730-I734 PolarHBondContact O-N 3.22Å; A731-I734 PolarHBondContact O-N 2.87Å; I734-S736 VanDerWaalsContact C-N 3.31Å; I734-S736 PolarHBondContact O-N 3.26Å; I734-Q737 PolarHBondContact O-N 3.48Å; I734-A738 WeakPolarHBondContact O-CB 3.47Å; I734-A738 PolarHBondContact O-N 2.9Å
735S85Confident88.3Confident79 Ų7991.8 Ų91.855%0.55251%0.509SS*.Hα-helixtrans-61.1-40178.7179.90000112.4A731 A739A731-S735 WeakPolarHBondContact O-CB 3.38Å; A731-S735 PolarHBondContact O-N 2.86Å; S735-A739 WeakPolarHBondContact O-CB 3.34Å; S735-A739 PolarHBondContact O-N 3.19Å; S735-A739 VanDerWaalsContact O-N 3.08Å
736S85.8Confident88.6Confident75 Ų7596.5 Ų96.552%0.52451%0.514SS..Hα-helixtrans-68-39.8178.3-58.50000111.3N732 R733 I734 A739 V740N732-S736 WeakPolarHBondContact O-CB 3.43Å; N732-S736 PolarHBondContact O-N 3.4Å; N732-S736 PolarHBondContact O-OG 3.33Å; R733-S736 PolarHBondContact O-N 2.9Å; I734-S736 VanDerWaalsContact C-N 3.31Å; I734-S736 PolarHBondContact O-N 3.26Å; S736-A739 PolarHBondContact O-N 3.44Å; S736-V740 WeakPolarHBondContact O-CG2 3.46Å; S736-V740 PolarHBondContact O-N 3.36Å; S736-V740 VanDerWaalsContact O-N 3.14Å
737Q89.4Confident88.6Confident110 Ų11094.1 Ų94.151%0.51451%0.514SS..Hα-helixtrans-67.4-43.2178.1-170.1169.3-12.500111.7R733 I734 A739 V740 E741R733-Q737 WeakPolarHBondContact O-CB 3.5Å; R733-Q737 PolarHBondContact O-N 2.87Å; I734-Q737 PolarHBondContact O-N 3.48Å; Q737-A739 PolarHBondContact O-N 3.34Å; Q737-V740 PolarHBondContact O-N 3.46Å; Q737-E741 PolarHBondContact O-N 2.96Å
738A86.8Confident89Confident52 Ų5296.5 Ų96.543%0.4352%0.517SS..Hα-helixtrans-60.4-43.1175.200000112I734 V740 E741 E742I734-A738 WeakPolarHBondContact O-CB 3.47Å; I734-A738 PolarHBondContact O-N 2.9Å; A738-V740 VanDerWaalsContact C-N 3.33Å; A738-V740 PolarHBondContact O-N 3.38Å; A738-E741 PolarHBondContact O-N 3.13Å; A738-E742 WeakPolarHBondContact O-CB 3.44Å; A738-E742 PolarHBondContact O-N 2.86Å
739A90.8Very high89.3Confident52 Ų5290.3 Ų90.343%0.4351%0.506SS..Hα-helixtrans-63.5-36.5176.800000112.9S735 S736 Q737 A743S735-A739 WeakPolarHBondContact O-CB 3.34Å; S735-A739 PolarHBondContact O-N 3.19Å; S735-A739 VanDerWaalsContact O-N 3.08Å; S736-A739 PolarHBondContact O-N 3.44Å; Q737-A739 PolarHBondContact O-N 3.34Å; A739-A743 WeakPolarHBondContact O-CB 3.41Å; A739-A743 PolarHBondContact O-N 2.97Å
740V91.8Very high89.6Confident83 Ų8392.5 Ų92.550%0.50351%0.508SS..Hα-helixtrans-68.5-42.2175.41710000111.4S736 Q737 A738 A743 K744S736-V740 WeakPolarHBondContact O-CG2 3.46Å; S736-V740 PolarHBondContact O-N 3.36Å; S736-V740 VanDerWaalsContact O-N 3.14Å; Q737-V740 PolarHBondContact O-N 3.46Å; A738-V740 VanDerWaalsContact C-N 3.33Å; A738-V740 PolarHBondContact O-N 3.38Å; V740-A743 PolarHBondContact O-N 2.85Å; V740-K744 WeakPolarHBondContact O-CG 3.19Å; V740-K744 PolarHBondContact O-N 2.89Å
741E88.8Confident89.8Confident111 Ų11191.7 Ų91.752%0.51951%0.511SS..Hα-helixtrans-64.5-43.5175.9-76.3-177.9175.600111.8Q737 A738 A743 K744 L745Q737-E741 PolarHBondContact O-N 2.96Å; A738-E741 PolarHBondContact O-N 3.13Å; E741-A743 VanDerWaalsContact C-N 3.32Å; E741-A743 PolarHBondContact O-N 2.83Å; E741-K744 PolarHBondContact O-N 2.84Å; E741-L745 WeakPolarHBondContact O-CG 3.38Å; E741-L745 PolarHBondContact O-N 2.83Å
742E90.6Very high89.8Confident94 Ų9494.9 Ų94.944%0.43952%0.519SS..Hα-helixtrans-59.8-42.2175.5-168.6-172.4169.100111.7A738 L745 R746A738-E742 WeakPolarHBondContact O-CB 3.44Å; A738-E742 PolarHBondContact O-N 2.86Å; E742-L745 PolarHBondContact O-N 2.9Å; E742-R746 WeakPolarHBondContact O-CG 3.34Å; E742-R746 PolarHBondContact O-N 2.96Å; E742-R746 IonicContact OE1-CZ 3.71Å; E742-R746 IonicContact OE1-NH1 3.31Å; E742-R746 PolarHBondContact OE1-NH1 2.78Å; E742-R746 IonicContact OE1-NH2 2.9Å; E742-R746 PolarHBondContact OE1-NH2 3.07Å
743A90Very high89.8Confident58 Ų5896.3 Ų96.348%0.47952%0.523SS..Hα-helixtrans-64.8-39.7175.800000112.7A739 V740 E741 A747A739-A743 WeakPolarHBondContact O-CB 3.41Å; A739-A743 PolarHBondContact O-N 2.97Å; V740-A743 PolarHBondContact O-N 2.85Å; E741-A743 VanDerWaalsContact C-N 3.32Å; E741-A743 PolarHBondContact O-N 2.83Å; A743-A747 PolarHBondContact O-N 2.91Å; A743-A747 VanDerWaalsContact O-N 3.08Å
744K92.5Very high89.7Confident134 Ų13492.4 Ų92.458%0.58352%0.516SS*.Hα-helixtrans-63.4-48.6175-77.8-178.8179-179.20111.8V740 E741 R746 A747 E748V740-K744 WeakPolarHBondContact O-CG 3.19Å; V740-K744 PolarHBondContact O-N 2.89Å; E741-K744 PolarHBondContact O-N 2.84Å; K744-R746 VanDerWaalsContact C-N 3.31Å; K744-R746 PolarHBondContact O-N 3.27Å; K744-A747 PolarHBondContact O-N 3.14Å; K744-A747 VanDerWaalsContact O-N 3.13Å; K744-E748 PolarHBondContact O-N 3.36Å
745L91.5Very high90Very high112 Ų11292.3 Ų92.359%0.58652%0.516SS*.Hα-helixtrans-62.2-39.2179.7-71.9170.1000111.7E741 E742 E748 A749E741-L745 WeakPolarHBondContact O-CG 3.38Å; E741-L745 PolarHBondContact O-N 2.83Å; E742-L745 PolarHBondContact O-N 2.9Å; L745-E748 PolarHBondContact O-N 3.48Å; L745-A749 WeakPolarHBondContact O-CB 3.34Å; L745-A749 PolarHBondContact O-N 2.96Å
746R89.9Confident90.2Very high160 Ų16091.4 Ų91.460%0.60451%0.513SS*.Hα-helixtrans-62.4-41.8173-80.5-170.3179.3111.37.3112.7E742 K744 A749 L750E742-R746 WeakPolarHBondContact O-CG 3.34Å; E742-R746 PolarHBondContact O-N 2.96Å; E742-R746 IonicContact OE1-CZ 3.71Å; E742-R746 IonicContact OE1-NH1 3.31Å; E742-R746 PolarHBondContact OE1-NH1 2.78Å; E742-R746 IonicContact OE1-NH2 2.9Å; E742-R746 PolarHBondContact OE1-NH2 3.07Å; K744-R746 VanDerWaalsContact C-N 3.31Å; K744-R746 PolarHBondContact O-N 3.27Å; R746-A749 PolarHBondContact O-N 3.36Å; R746-L750 WeakPolarHBondContact O-CB 3.22Å; R746-L750 PolarHBondContact O-N 2.94Å
747A90Very high90.4Very high63 Ų6393.2 Ų93.252%0.52151%0.513SS..Hα-helixtrans-65.7-40177.900000112A743 K744 S751A743-A747 PolarHBondContact O-N 2.91Å; A743-A747 VanDerWaalsContact O-N 3.08Å; K744-A747 PolarHBondContact O-N 3.14Å; K744-A747 VanDerWaalsContact O-N 3.13Å; A747-S751 PolarHBondContact O-N 2.97Å
748E91.1Very high90.4Very high122 Ų12292.3 Ų92.357%0.5751%0.512SS*.Hα-helixtrans-64.7-45.5174.5-75.8179.1178.300111.9K744 L745 L750 S751 I752K744-E748 PolarHBondContact O-N 3.36Å; L745-E748 PolarHBondContact O-N 3.48Å; E748-L750 PolarHBondContact O-N 3.36Å; E748-S751 WeakPolarHBondContact O-CB 3.43Å; E748-S751 PolarHBondContact O-N 2.84Å; E748-I752 WeakPolarHBondContact O-CG1 3.36Å; E748-I752 PolarHBondContact O-N 3.13Å
749A91.1Very high90.6Very high58 Ų5894.5 Ų94.548%0.47951%0.513SS..Hα-helixtrans-59.1-46177.100000111.9L745 R746 S751 I752 E753L745-A749 WeakPolarHBondContact O-CB 3.34Å; L745-A749 PolarHBondContact O-N 2.96Å; R746-A749 PolarHBondContact O-N 3.36Å; A749-S751 VanDerWaalsContact C-N 3.33Å; A749-S751 PolarHBondContact O-N 2.87Å; A749-I752 PolarHBondContact O-N 3.17Å; A749-E753 PolarHBondContact O-N 3.1Å
750L92.2Very high90.6Very high107 Ų107101.1 Ų101.156%0.5653%0.527SS*.Hα-helixtrans-62.2-39.1176.3-168.978.9000111.9R746 E748 I752 E753 T754R746-L750 WeakPolarHBondContact O-CB 3.22Å; R746-L750 PolarHBondContact O-N 2.94Å; E748-L750 PolarHBondContact O-N 3.36Å; L750-I752 VanDerWaalsContact C-N 3.34Å; L750-I752 PolarHBondContact O-N 2.79Å; L750-E753 PolarHBondContact O-N 2.85Å; L750-T754 HydrophobicContact CG-CG2 4.5Å; L750-T754 WeakPolarHBondContact O-CB 3.36Å; L750-T754 VanDerWaalsContact O-CG2 3.27Å; L750-T754 WeakPolarHBondContact O-CG2 3.46Å; L750-T754 PolarHBondContact O-N 2.85Å; L750-T754 PolarHBondContact O-OG1 3Å
751S92.6Very high90.5Very high58 Ų58102.2 Ų102.241%0.40653%0.53SS..Hα-helixtrans-64.3-38175.8-178.80000112.5A747 E748 A749 T754 N755A747-S751 PolarHBondContact O-N 2.97Å; E748-S751 WeakPolarHBondContact O-CB 3.43Å; E748-S751 PolarHBondContact O-N 2.84Å; A749-S751 VanDerWaalsContact C-N 3.33Å; A749-S751 PolarHBondContact O-N 2.87Å; S751-T754 WeakPolarHBondContact CA-OG1 3.11Å; S751-T754 PolarHBondContact O-OG1 3.38Å; S751-T754 VanDerWaalsContact O-OG1 3.09Å; S751-N755 WeakPolarHBondContact O-CB 3.44Å; S751-N755 VanDerWaalsContact O-CG 3.24Å; S751-N755 PolarHBondContact O-N 2.78Å; S751-N755 VanDerWaalsContact O-N 3.14Å; S751-N755 PolarHBondContact O-ND2 2.84Å; S751-N755 VanDerWaalsContact O-ND2 3.14Å
752I89.7Confident90.6Very high122 Ų122102.4 Ų102.463%0.62653%0.529SS*.Hα-helixtrans-68.8-46.2177.8-67.4166.3000110.1E748 A749 L750 N755 A756E748-I752 WeakPolarHBondContact O-CG1 3.36Å; E748-I752 PolarHBondContact O-N 3.13Å; A749-I752 PolarHBondContact O-N 3.17Å; L750-I752 VanDerWaalsContact C-N 3.34Å; L750-I752 PolarHBondContact O-N 2.79Å; I752-N755 PolarHBondContact O-N 3.26Å; I752-A756 WeakPolarHBondContact O-CB 3.33Å; I752-A756 PolarHBondContact O-N 3.47Å
753E89.6Confident90.6Very high128 Ų128103.8 Ų103.860%0.59854%0.538SS*.Hα-helixtrans-59.1-50.9179.1-173.7177.1-167.900111.4A749 L750 N755 A756 E757A749-E753 PolarHBondContact O-N 3.1Å; L750-E753 PolarHBondContact O-N 2.85Å; E753-N755 VanDerWaalsContact C-N 3.35Å; E753-N755 PolarHBondContact O-N 3.06Å; E753-A756 PolarHBondContact O-N 3.49Å; E753-E757 PolarHBondContact O-N 3.09Å
754T88.7Confident90.6Very high66 Ų66103.8 Ų103.841%0.40554%0.538SS..Hα-helixtrans-61.5-39.2178.749.90000112.8L750 S751 E757 L758L750-T754 HydrophobicContact CG-CG2 4.5Å; L750-T754 WeakPolarHBondContact O-CB 3.36Å; L750-T754 VanDerWaalsContact O-CG2 3.27Å; L750-T754 WeakPolarHBondContact O-CG2 3.46Å; L750-T754 PolarHBondContact O-N 2.85Å; L750-T754 PolarHBondContact O-OG1 3Å; S751-T754 WeakPolarHBondContact CA-OG1 3.11Å; S751-T754 PolarHBondContact O-OG1 3.38Å; S751-T754 VanDerWaalsContact O-OG1 3.09Å; T754-E757 PolarHBondContact O-N 3.35Å; T754-L758 WeakPolarHBondContact O-CB 3.43Å; T754-L758 PolarHBondContact O-N 2.89Å
755N91.1Very high90.4Very high94 Ų94106 Ų10650%0.50354%0.543SS..Hα-helixtrans-67.1-41.7176-79.7-26.6000112.4S751 I752 E753 E757 L758 E759S751-N755 WeakPolarHBondContact O-CB 3.44Å; S751-N755 VanDerWaalsContact O-CG 3.24Å; S751-N755 PolarHBondContact O-N 2.78Å; S751-N755 VanDerWaalsContact O-N 3.14Å; S751-N755 PolarHBondContact O-ND2 2.84Å; S751-N755 VanDerWaalsContact O-ND2 3.14Å; I752-N755 PolarHBondContact O-N 3.26Å; E753-N755 VanDerWaalsContact C-N 3.35Å; E753-N755 PolarHBondContact O-N 3.06Å; N755-E757 VanDerWaalsContact C-N 3.32Å; N755-E757 PolarHBondContact O-N 2.88Å; N755-L758 PolarHBondContact O-N 3.45Å; N755-E759 PolarHBondContact O-N 2.94Å
756A89.4Confident90.4Very high61 Ų61103.4 Ų103.450%0.50454%0.538SS..Hα-helixtrans-63.5-40.1177.100000111.4I752 E753 E759 R760I752-A756 WeakPolarHBondContact O-CB 3.33Å; I752-A756 PolarHBondContact O-N 3.47Å; E753-A756 PolarHBondContact O-N 3.49Å; A756-E759 PolarHBondContact O-N 2.85Å; A756-R760 WeakPolarHBondContact O-CB 3.48Å; A756-R760 PolarHBondContact O-N 3.04Å
757E89.8Confident90.3Very high112 Ų11298.8 Ų98.852%0.52353%0.534SS..Hα-helixtrans-67-39.2176.8-160.9168-152.400112E753 T754 N755 R760 L761E753-E757 PolarHBondContact O-N 3.09Å; T754-E757 PolarHBondContact O-N 3.35Å; N755-E757 VanDerWaalsContact C-N 3.32Å; N755-E757 PolarHBondContact O-N 2.88Å; E757-R760 PolarHBondContact O-N 2.77Å; E757-L761 WeakPolarHBondContact O-CB 3.47Å; E757-L761 WeakPolarHBondContact O-CG 3.25Å; E757-L761 PolarHBondContact O-N 3.21Å
758L90.2Very high90.2Very high92 Ų92101.3 Ų101.348%0.48254%0.535SS..Hα-helixtrans-61.8-45.1174.7-124.5171.1000112.3T754 N755 L761 K762T754-L758 WeakPolarHBondContact O-CB 3.43Å; T754-L758 PolarHBondContact O-N 2.89Å; N755-L758 PolarHBondContact O-N 3.45Å; L758-L761 PolarHBondContact O-N 3.02Å; L758-K762 HydrophobicContact CD2-CG 4.45Å; L758-K762 WeakPolarHBondContact O-CG 3.45Å; L758-K762 PolarHBondContact O-N 3.2Å
759E90.7Very high90.2Very high98 Ų98100.1 Ų100.146%0.45853%0.531SS..Hα-helixtrans-65.3-42.1177.7-79.7-58.4127.400111.9N755 A756 L761 K762 L763N755-E759 PolarHBondContact O-N 2.94Å; A756-E759 PolarHBondContact O-N 2.85Å; E759-L761 VanDerWaalsContact C-N 3.33Å; E759-L761 PolarHBondContact O-N 2.83Å; E759-K762 PolarHBondContact O-N 3.4Å; E759-K762 IonicContact OE1-NZ 2.8Å; E759-K762 PolarHBondContact OE1-NZ 3.49Å; E759-L763 PolarHBondContact O-N 2.8Å
760R91.1Very high90.1Very high190 Ų19099.9 Ų99.972%0.71753%0.53SS*.Hα-helixtrans-57.8-45.5173.2-179.3-174.3161.7-168-5.5111.4A756 E757 L763 A764A756-R760 WeakPolarHBondContact O-CB 3.48Å; A756-R760 PolarHBondContact O-N 3.04Å; E757-R760 PolarHBondContact O-N 2.77Å; R760-L763 PolarHBondContact O-N 2.79Å; R760-A764 WeakPolarHBondContact O-CB 3.13Å; R760-A764 PolarHBondContact O-N 2.84Å
761L89.9Confident90Very high107 Ų107102 Ų10256%0.5653%0.531SS*.Hα-helixtrans-66.6-38.1178.8-76.3172.1000112.7E757 L758 E759 A764 R765E757-L761 WeakPolarHBondContact O-CB 3.47Å; E757-L761 WeakPolarHBondContact O-CG 3.25Å; E757-L761 PolarHBondContact O-N 3.21Å; L758-L761 PolarHBondContact O-N 3.02Å; E759-L761 VanDerWaalsContact C-N 3.33Å; E759-L761 PolarHBondContact O-N 2.83Å; L761-A764 PolarHBondContact O-N 2.87Å; L761-R765 WeakPolarHBondContact O-CB 3.22Å; L761-R765 PolarHBondContact O-N 3.29Å
762K90.5Very high89.9Confident115 Ų115102.9 Ų102.950%0.553%0.531SS..Hα-helixtrans-62.4-47174.7-77.5-180-168.51630111.8L758 E759 A764 R765 A766L758-K762 HydrophobicContact CD2-CG 4.45Å; L758-K762 WeakPolarHBondContact O-CG 3.45Å; L758-K762 PolarHBondContact O-N 3.2Å; E759-K762 PolarHBondContact O-N 3.4Å; E759-K762 IonicContact OE1-NZ 2.8Å; E759-K762 PolarHBondContact OE1-NZ 3.49Å; K762-A764 VanDerWaalsContact C-N 3.34Å; K762-A764 PolarHBondContact O-N 3.27Å; K762-R765 PolarHBondContact O-N 3.44Å; K762-A766 WeakPolarHBondContact O-CB 3.42Å; K762-A766 PolarHBondContact O-N 3.49Å
763L90.8Very high89.9Confident123 Ų123103.6 Ų103.664%0.64453%0.529SS*.Hα-helixtrans-61.5-43.9178.3-77.2166.4000111.4E759 R760 A766 A767E759-L763 PolarHBondContact O-N 2.8Å; R760-L763 PolarHBondContact O-N 2.79Å; L763-A766 PolarHBondContact O-N 3.08Å; L763-A767 PolarHBondContact O-N 2.88Å
764A91Very high89.9Confident58 Ų58104 Ų10448%0.47953%0.531SS..Hα-helixtrans-60.4-47.9175.900000112R760 L761 K762 A766 A767 E768R760-A764 WeakPolarHBondContact O-CB 3.13Å; R760-A764 PolarHBondContact O-N 2.84Å; L761-A764 PolarHBondContact O-N 2.87Å; K762-A764 VanDerWaalsContact C-N 3.34Å; K762-A764 PolarHBondContact O-N 3.27Å; A764-A766 PolarHBondContact O-N 2.86Å; A764-A767 PolarHBondContact O-N 2.83Å; A764-E768 WeakPolarHBondContact O-CB 3.31Å; A764-E768 PolarHBondContact O-N 2.91Å
765R87.7Confident90Very high180 Ų180106.8 Ų106.868%0.67954%0.538SS*.Hα-helixtrans-63.8-37.3176.4-94.6-172.8171.7166.5-0.3113L761 K762 E768 I769L761-R765 WeakPolarHBondContact O-CB 3.22Å; L761-R765 PolarHBondContact O-N 3.29Å; K762-R765 PolarHBondContact O-N 3.44Å; R765-E768 PolarHBondContact O-N 2.88Å; R765-I769 WeakPolarHBondContact O-CB 3.5Å; R765-I769 WeakPolarHBondContact O-CD1 3.39Å; R765-I769 WeakPolarHBondContact O-CG1 3.42Å; R765-I769 PolarHBondContact O-N 2.76Å
766A90.7Very high89.8Confident58 Ų58106.6 Ų106.648%0.47954%0.536SS..Hα-helixtrans-64.3-44.1177.900000111.3K762 L763 A764 I769 A770K762-A766 WeakPolarHBondContact O-CB 3.42Å; K762-A766 PolarHBondContact O-N 3.49Å; L763-A766 PolarHBondContact O-N 3.08Å; A764-A766 PolarHBondContact O-N 2.86Å; A766-I769 PolarHBondContact O-N 2.85Å; A766-A770 WeakPolarHBondContact O-CB 3.42Å; A766-A770 PolarHBondContact O-N 3.45Å
767A88.6Confident89.9Confident63 Ų63110 Ų11052%0.52154%0.542SS..Hα-helixtrans-63.5-42.2174.500000111.9L763 A764 A770 Y771L763-A767 PolarHBondContact O-N 2.88Å; A764-A767 PolarHBondContact O-N 2.83Å; A767-A770 PolarHBondContact O-N 2.92Å; A767-Y771 PolarHBondContact O-N 2.91Å
768E87.8Confident89.8Confident115 Ų115110.8 Ų110.854%0.53755%0.549SS..Hα-helixtrans-63.6-44.9177.5-171.1177.9-163.700112.2A764 R765 A770 Y771 I772A764-E768 WeakPolarHBondContact O-CB 3.31Å; A764-E768 PolarHBondContact O-N 2.91Å; R765-E768 PolarHBondContact O-N 2.88Å; E768-A770 VanDerWaalsContact C-N 3.34Å; E768-A770 PolarHBondContact O-N 3.41Å; E768-Y771 PolarHBondContact O-N 3.13Å; E768-I772 HydrophobicContact CG-CD1 3.98Å; E768-I772 VanDerWaalsContact O-CG1 3.28Å; E768-I772 WeakPolarHBondContact O-CG1 3.44Å; E768-I772 PolarHBondContact O-N 2.96Å
769I90.2Very high89.5Confident97 Ų97108.9 Ų108.950%0.49755%0.547SS..Hα-helixtrans-63.6-39.9176.6-69.9165.8000111.1R765 A766 I772 K773R765-I769 WeakPolarHBondContact O-CB 3.5Å; R765-I769 WeakPolarHBondContact O-CD1 3.39Å; R765-I769 WeakPolarHBondContact O-CG1 3.42Å; R765-I769 PolarHBondContact O-N 2.76Å; A766-I769 PolarHBondContact O-N 2.85Å; I769-I772 PolarHBondContact O-N 2.88Å; I769-K773 WeakPolarHBondContact O-CB 3.23Å; I769-K773 PolarHBondContact O-N 2.72Å
770A90.1Very high89.4Confident54 Ų54110.1 Ų110.145%0.44656%0.556SS.*Hα-helixtrans-62.2-47176.300000111.3A766 A767 E768 I772 K773 E774A766-A770 WeakPolarHBondContact O-CB 3.42Å; A766-A770 PolarHBondContact O-N 3.45Å; A767-A770 PolarHBondContact O-N 2.92Å; E768-A770 VanDerWaalsContact C-N 3.34Å; E768-A770 PolarHBondContact O-N 3.41Å; A770-I772 PolarHBondContact O-N 2.79Å; A770-K773 WeakPolarHBondContact O-CB 3.26Å; A770-K773 PolarHBondContact O-N 3.08Å; A770-E774 PolarHBondContact O-N 2.85Å
771Y90Very high89.2Confident151 Ų151108.1 Ų108.159%0.59255%0.553SS**Hα-helixtrans-61.1-44175.8174.8-107.8000112.6A767 E768 K773 E774 K775A767-Y771 PolarHBondContact O-N 2.91Å; E768-Y771 PolarHBondContact O-N 3.13Å; Y771-K773 VanDerWaalsContact C-N 3.31Å; Y771-K773 PolarHBondContact O-N 3.48Å; Y771-E774 PolarHBondContact O-N 2.87Å; Y771-K775 HydrophobicContact CE1-CD 4.49Å; Y771-K775 VanDerWaalsContact O-CB 3.3Å; Y771-K775 WeakPolarHBondContact O-CB 3.23Å; Y771-K775 PolarHBondContact O-N 2.86Å
772I90Very high89.1Confident76 Ų76110.6 Ų110.639%0.3956%0.556SS.*Hα-helixtrans-63.3-39177.2-69.6167.8000110.9E768 I769 A770 K775 N776E768-I772 HydrophobicContact CG-CD1 3.98Å; E768-I772 VanDerWaalsContact O-CG1 3.28Å; E768-I772 WeakPolarHBondContact O-CG1 3.44Å; E768-I772 PolarHBondContact O-N 2.96Å; I769-I772 PolarHBondContact O-N 2.88Å; A770-I772 PolarHBondContact O-N 2.79Å; I772-K775 PolarHBondContact O-N 3.47Å; I772-N776 VanDerWaalsContact O-CB 3.31Å; I772-N776 WeakPolarHBondContact O-CB 3.47Å; I772-N776 PolarHBondContact O-N 2.88Å; I772-N776 PolarHBondContact O-ND2 3.21Å
773K89.6Confident88.8Confident137 Ų137111.9 Ų111.960%0.59656%0.561SS**Hα-helixtrans-62.2-50.9174.8-85.4-175174.2-175.90111.9I769 A770 Y771 K775 N776 E777I769-K773 WeakPolarHBondContact O-CB 3.23Å; I769-K773 PolarHBondContact O-N 2.72Å; A770-K773 WeakPolarHBondContact O-CB 3.26Å; A770-K773 PolarHBondContact O-N 3.08Å; Y771-K773 VanDerWaalsContact C-N 3.31Å; Y771-K773 PolarHBondContact O-N 3.48Å; K773-K775 VanDerWaalsContact C-N 3.3Å; K773-K775 PolarHBondContact O-N 3Å; K773-N776 PolarHBondContact O-N 3.46Å; K773-E777 PolarHBondContact O-N 2.75Å
774E90.2Very high88.6Confident138 Ų138108.4 Ų108.465%0.64555%0.55SS*.Hα-helixtrans-59.5-42.7177.4-77.9-167.215700111.7A770 Y771 N776 E777 L778A770-E774 PolarHBondContact O-N 2.85Å; Y771-E774 PolarHBondContact O-N 2.87Å; E774-N776 PolarHBondContact O-N 3.26Å; E774-E777 PolarHBondContact O-N 3.48Å; E774-L778 WeakPolarHBondContact O-CB 3.22Å; E774-L778 PolarHBondContact O-N 2.83Å
775K89.6Confident88.4Confident124 Ų124109.9 Ų109.954%0.53955%0.55SS.*Hα-helixtrans-61.4-43176.2-174.9-179.7178.3-178.10112.1Y771 I772 K773 L778 A779Y771-K775 HydrophobicContact CE1-CD 4.49Å; Y771-K775 VanDerWaalsContact O-CB 3.3Å; Y771-K775 WeakPolarHBondContact O-CB 3.23Å; Y771-K775 PolarHBondContact O-N 2.86Å; I772-K775 PolarHBondContact O-N 3.47Å; K773-K775 VanDerWaalsContact C-N 3.3Å; K773-K775 PolarHBondContact O-N 3Å; K775-L778 PolarHBondContact O-N 3.09Å; K775-A779 WeakPolarHBondContact O-CB 3.43Å; K775-A779 PolarHBondContact O-N 3.07Å
776N88.4Confident88.3Confident89 Ų89105.6 Ų105.648%0.47654%0.538SS..Hα-helixtrans-69.4-38.4178.3-73.9-17.3000112I772 K773 E774 A779 L780I772-N776 VanDerWaalsContact O-CB 3.31Å; I772-N776 WeakPolarHBondContact O-CB 3.47Å; I772-N776 PolarHBondContact O-N 2.88Å; I772-N776 PolarHBondContact O-ND2 3.21Å; K773-N776 PolarHBondContact O-N 3.46Å; E774-N776 PolarHBondContact O-N 3.26Å; N776-A779 PolarHBondContact O-N 2.7Å; N776-L780 WeakPolarHBondContact O-CB 3.15Å; N776-L780 WeakPolarHBondContact O-CG 3.39Å; N776-L780 PolarHBondContact O-N 2.89Å
777E90.8Very high87.8Confident132 Ų132106.9 Ų106.962%0.61754%0.539SS*.Hα-helixtrans-63.9-42.3173.8-79.2-176.8172.500111.7K773 E774 L780 K781K773-E777 PolarHBondContact O-N 2.75Å; E774-E777 PolarHBondContact O-N 3.48Å; E777-L780 PolarHBondContact O-N 3.33Å; E777-K781 PolarHBondContact O-N 3.1Å
778L87.6Confident87.7Confident129 Ų129109.7 Ų109.768%0.67554%0.542SS*.Hα-helixtrans-61.3-45.2174.1-16785000111.1E774 K775 K781 Y782E774-L778 WeakPolarHBondContact O-CB 3.22Å; E774-L778 PolarHBondContact O-N 2.83Å; K775-L778 PolarHBondContact O-N 3.09Å; L778-K781 PolarHBondContact O-N 3.45Å; L778-Y782 WeakPolarHBondContact O-CB 3.33Å; L778-Y782 PolarHBondContact O-N 2.89Å
779A84.6Confident87.5Confident53 Ų53109.6 Ų109.644%0.43854%0.544SS..Hα-helixtrans-65-37.8177.900000112.6K775 N776 Y782 K783K775-A779 WeakPolarHBondContact O-CB 3.43Å; K775-A779 PolarHBondContact O-N 3.07Å; N776-A779 PolarHBondContact O-N 2.7Å; A779-Y782 PolarHBondContact O-N 3.01Å; A779-K783 WeakPolarHBondContact O-CB 3.28Å; A779-K783 PolarHBondContact O-N 2.97Å
780L87.5Confident86.9Confident123 Ų123109.6 Ų109.664%0.64454%0.542SS*.Hα-helixtrans-64.9-43.9174.6-85.2164.4000111.8N776 E777 K783 A784N776-L780 WeakPolarHBondContact O-CB 3.15Å; N776-L780 WeakPolarHBondContact O-CG 3.39Å; N776-L780 PolarHBondContact O-N 2.89Å; E777-L780 PolarHBondContact O-N 3.33Å; L780-K783 PolarHBondContact O-N 2.86Å; L780-A784 WeakPolarHBondContact O-CB 3.27Å; L780-A784 PolarHBondContact O-N 3.11Å
781K88.1Confident86.4Confident149 Ų149113.8 Ų113.865%0.64855%0.55SS*.Hα-helixtrans-60.3-49.6173.3-86.9-174.9174.4177.50111.5E777 L778 K783 A784 D785E777-K781 PolarHBondContact O-N 3.1Å; L778-K781 PolarHBondContact O-N 3.45Å; K781-K783 VanDerWaalsContact C-N 3.32Å; K781-K783 PolarHBondContact O-N 3.27Å; K781-A784 WeakPolarHBondContact O-CB 3.32Å; K781-A784 PolarHBondContact O-N 3.42Å; K781-A784 VanDerWaalsContact O-N 3.09Å; K781-D785 VanDerWaalsContact O-CG 3.27Å; K781-D785 PolarHBondContact O-N 3.11Å
782Y86.7Confident86Confident159 Ų159111.9 Ų111.962%0.62455%0.55SS*.Hα-helixtrans-57.1-45.8178.8-172.6-87.3000111.7L778 A779 D785 E786L778-Y782 WeakPolarHBondContact O-CB 3.33Å; L778-Y782 PolarHBondContact O-N 2.89Å; A779-Y782 PolarHBondContact O-N 3.01Å; Y782-D785 PolarHBondContact O-N 2.83Å; Y782-E786 VanDerWaalsContact O-CB 3.22Å; Y782-E786 WeakPolarHBondContact O-CB 3.34Å; Y782-E786 PolarHBondContact O-N 3.45Å
783K84.5Confident85.5Confident141 Ų141115.9 Ų115.961%0.61356%0.56SS**Hα-helixtrans-64.7-39.6175.3-105.6-164.5174.7-174.20112.8A779 L780 K781 E786 T787A779-K783 WeakPolarHBondContact O-CB 3.28Å; A779-K783 PolarHBondContact O-N 2.97Å; L780-K783 PolarHBondContact O-N 2.86Å; K781-K783 VanDerWaalsContact C-N 3.32Å; K781-K783 PolarHBondContact O-N 3.27Å; K783-E786 PolarHBondContact O-N 2.83Å; K783-T787 WeakPolarHBondContact O-CB 3.41Å; K783-T787 VanDerWaalsContact O-CG2 3.23Å; K783-T787 WeakPolarHBondContact O-CG2 3.27Å; K783-T787 PolarHBondContact O-N 3.35Å; K783-T787 PolarHBondContact O-OG1 3.18Å
784A86.1Confident84.8Confident50 Ų50116 Ų11641%0.41356%0.56SS.*Hα-helixtrans-61.6-49.1177.200000110.5L780 K781 E786 T787 E788L780-A784 WeakPolarHBondContact O-CB 3.27Å; L780-A784 PolarHBondContact O-N 3.11Å; K781-A784 WeakPolarHBondContact O-CB 3.32Å; K781-A784 PolarHBondContact O-N 3.42Å; K781-A784 VanDerWaalsContact O-N 3.09Å; A784-E786 PolarHBondContact O-N 3.29Å; A784-T787 WeakPolarHBondContact CA-OG1 3.45Å; A784-T787 PolarHBondContact O-N 3.44Å; A784-T787 PolarHBondContact O-OG1 2.93Å; A784-E788 WeakPolarHBondContact O-CB 3.32Å; A784-E788 PolarHBondContact O-N 2.96Å
785D86.9Confident84.3Confident90 Ų90112.9 Ų112.948%0.48155%0.548SS..Hα-helixtrans-61.6-44.9177.4-63.1-13.1000111.1K781 Y782 T787 E788 I789K781-D785 VanDerWaalsContact O-CG 3.27Å; K781-D785 PolarHBondContact O-N 3.11Å; Y782-D785 PolarHBondContact O-N 2.83Å; D785-T787 PolarHBondContact O-N 3.36Å; D785-E788 PolarHBondContact O-N 2.89Å; D785-I789 VanDerWaalsContact O-CG1 3.26Å; D785-I789 WeakPolarHBondContact O-CG1 3.45Å; D785-I789 PolarHBondContact O-N 3.33Å
786E86.1Confident83.7Confident90 Ų90110.2 Ų110.242%0.42155%0.545SS..Hα-helixtrans-61-44.3176.1-174.2175.7-152.300111.6Y782 K783 A784 E788 I789 E790Y782-E786 VanDerWaalsContact O-CB 3.22Å; Y782-E786 WeakPolarHBondContact O-CB 3.34Å; Y782-E786 PolarHBondContact O-N 3.45Å; K783-E786 PolarHBondContact O-N 2.83Å; A784-E786 PolarHBondContact O-N 3.29Å; E786-E788 VanDerWaalsContact C-N 3.32Å; E786-E788 PolarHBondContact O-N 2.82Å; E786-I789 PolarHBondContact O-N 3.4Å; E786-E790 WeakPolarHBondContact O-CB 3.48Å; E786-E790 PolarHBondContact O-N 3.42Å
787T80.9Confident82.9Confident84 Ų84111.4 Ų111.452%0.51555%0.548SS..Hα-helixtrans-66.9-32.6175.955.80000112.6K783 A784 D785 K791K783-T787 WeakPolarHBondContact O-CB 3.41Å; K783-T787 VanDerWaalsContact O-CG2 3.23Å; K783-T787 WeakPolarHBondContact O-CG2 3.27Å; K783-T787 PolarHBondContact O-N 3.35Å; K783-T787 PolarHBondContact O-OG1 3.18Å; A784-T787 WeakPolarHBondContact CA-OG1 3.45Å; A784-T787 PolarHBondContact O-N 3.44Å; A784-T787 PolarHBondContact O-OG1 2.93Å; D785-T787 PolarHBondContact O-N 3.36Å; T787-K791 WeakPolarHBondContact O-CB 3.46Å; T787-K791 PolarHBondContact O-N 2.81Å
788E86.6Confident82.1Confident122 Ų122107.3 Ų107.357%0.5753%0.532SS*.Hα-helixtrans-69.9-43.1175.6-169.3168.5-160.100110.8A784 D785 E786 K791 L792A784-E788 WeakPolarHBondContact O-CB 3.32Å; A784-E788 PolarHBondContact O-N 2.96Å; D785-E788 PolarHBondContact O-N 2.89Å; E786-E788 VanDerWaalsContact C-N 3.32Å; E786-E788 PolarHBondContact O-N 2.82Å; E788-K791 PolarHBondContact O-N 3.35Å; E788-L792 HydrophobicContact CG-CD1 4.49Å; E788-L792 WeakPolarHBondContact O-CB 3.14Å; E788-L792 VanDerWaalsContact O-CG 3.32Å; E788-L792 WeakPolarHBondContact O-CG 3.36Å; E788-L792 PolarHBondContact O-N 3.14Å
789I82.8Confident81.5Confident114 Ų114107 Ų10759%0.58553%0.532SS*.Hα-helixtrans-60.5-47.1172.6-68.1165.8000110.6D785 E786 L792 R793D785-I789 VanDerWaalsContact O-CG1 3.26Å; D785-I789 WeakPolarHBondContact O-CG1 3.45Å; D785-I789 PolarHBondContact O-N 3.33Å; E786-I789 PolarHBondContact O-N 3.4Å; I789-L792 PolarHBondContact O-N 2.78Å; I789-R793 WeakPolarHBondContact O-CB 3.25Å; I789-R793 PolarHBondContact O-N 2.89Å
790E77.2Confident81.1Confident97 Ų97110.3 Ų110.345%0.45355%0.546SS..Hα-helixtrans-64.9-39.7177.4-81.1-150.113400112.2E786 R793 F794E786-E790 WeakPolarHBondContact O-CB 3.48Å; E786-E790 PolarHBondContact O-N 3.42Å; E790-R793 PolarHBondContact O-N 3.32Å; E790-R793 IonicContact OE1-NH2 3.95Å; E790-R793 PolarHBondContact OE1-NH2 3.48Å; E790-F794 WeakPolarHBondContact O-CB 3.39Å; E790-F794 PolarHBondContact O-N 3.39Å
791K79.8Confident80Confident141 Ų141107.6 Ų107.661%0.61353%0.532SS*.Hα-helixtrans-62.4-44.6175.8-172.4-170.2175.5-170.60110.6T787 E788 F794 I795T787-K791 WeakPolarHBondContact O-CB 3.46Å; T787-K791 PolarHBondContact O-N 2.81Å; E788-K791 PolarHBondContact O-N 3.35Å; K791-F794 PolarHBondContact O-N 2.74Å; K791-I795 HydrophobicContact CG-CD1 3.91Å; K791-I795 WeakPolarHBondContact O-CB 3.48Å; K791-I795 WeakPolarHBondContact O-CD1 3.3Å; K791-I795 WeakPolarHBondContact O-CG1 3.28Å; K791-I795 PolarHBondContact O-N 2.83Å
792L82.7Confident79.2Confident112 Ų112101.7 Ų101.759%0.58651%0.513SS*.Hα-helixtrans-63.6-44.3175.2-73.4170.9000111.5E788 I789 F794 I795 S796E788-L792 HydrophobicContact CG-CD1 4.49Å; E788-L792 WeakPolarHBondContact O-CB 3.14Å; E788-L792 VanDerWaalsContact O-CG 3.32Å; E788-L792 WeakPolarHBondContact O-CG 3.36Å; E788-L792 PolarHBondContact O-N 3.14Å; I789-L792 PolarHBondContact O-N 2.78Å; L792-F794 VanDerWaalsContact C-N 3.35Å; L792-F794 PolarHBondContact O-N 3.36Å; L792-I795 PolarHBondContact O-N 2.84Å; L792-S796 VanDerWaalsContact O-CB 3.3Å; L792-S796 WeakPolarHBondContact O-CB 3.3Å; L792-S796 PolarHBondContact O-N 3.43Å
793R78.6Confident78.5Confident159 Ų15997.7 Ų97.760%0.651%0.513SS*.Hα-helixtrans-60.4-44.6175.3-168.5-177.679.8-169.1-5.2111.1I789 E790 S796 M797I789-R793 WeakPolarHBondContact O-CB 3.25Å; I789-R793 PolarHBondContact O-N 2.89Å; E790-R793 PolarHBondContact O-N 3.32Å; E790-R793 IonicContact OE1-NH2 3.95Å; E790-R793 PolarHBondContact OE1-NH2 3.48Å; R793-S796 WeakPolarHBondContact O-CB 3.19Å; R793-S796 PolarHBondContact O-N 2.89Å; R793-M797 VanDerWaalsContact O-CB 3.28Å; R793-M797 WeakPolarHBondContact O-CB 3.2Å; R793-M797 PolarHBondContact O-N 3.48Å
794F75.3Confident77.9Confident139 Ų13996.4 Ų96.461%0.6151%0.513SS*.Hα-helixtrans-68.5-44.1-179.4-171.5-96.2000111.7E790 K791 L792 S796 M797 V798E790-F794 WeakPolarHBondContact O-CB 3.39Å; E790-F794 PolarHBondContact O-N 3.39Å; K791-F794 PolarHBondContact O-N 2.74Å; L792-F794 VanDerWaalsContact C-N 3.35Å; L792-F794 PolarHBondContact O-N 3.36Å; F794-S796 VanDerWaalsContact C-N 3.34Å; F794-S796 PolarHBondContact O-N 3.43Å; F794-M797 PolarHBondContact O-N 3.16Å; F794-M797 VanDerWaalsContact O-N 3.16Å; F794-V798 HydrophobicContact CD1-CG2 3.89Å; F794-V798 HydrophobicContact CE1-CG2 3.54Å; F794-V798 HydrophobicContact CE2-CG2 4.45Å; F794-V798 HydrophobicContact CG-CG2 4.48Å; F794-V798 HydrophobicContact CZ-CG2 3.86Å; F794-V798 WeakPolarHBondContact O-CB 3.48Å; F794-V798 VanDerWaalsContact O-CG2 3.3Å; F794-V798 WeakPolarHBondContact O-CG2 3.18Å; F794-V798 PolarHBondContact O-N 3.44Å
795I80Confident77Confident74 Ų7497 Ų9738%0.37951%0.512SS..Hα-helixtrans-60.3-45.1173.6-70.5165.4000110.5K791 L792 M797 V798 N799K791-I795 HydrophobicContact CG-CD1 3.91Å; K791-I795 WeakPolarHBondContact O-CB 3.48Å; K791-I795 WeakPolarHBondContact O-CD1 3.3Å; K791-I795 WeakPolarHBondContact O-CG1 3.28Å; K791-I795 PolarHBondContact O-N 2.83Å; L792-I795 PolarHBondContact O-N 2.84Å; I795-M797 VanDerWaalsContact C-N 3.31Å; I795-M797 PolarHBondContact O-N 2.93Å; I795-V798 PolarHBondContact O-N 3.48Å; I795-N799 VanDerWaalsContact O-CB 3.3Å; I795-N799 WeakPolarHBondContact O-CB 3.36Å; I795-N799 VanDerWaalsContact O-CG 3.26Å; I795-N799 PolarHBondContact O-N 2.85Å; I795-N799 PolarHBondContact O-ND2 2.72Å
796S77.6Confident75.8Confident68 Ų6895.8 Ų95.848%0.47651%0.505SS..Hα-helixtrans-58.6-44.7174.1-178.30000111.2L792 R793 F794 N799 V800L792-S796 VanDerWaalsContact O-CB 3.3Å; L792-S796 WeakPolarHBondContact O-CB 3.3Å; L792-S796 PolarHBondContact O-N 3.43Å; R793-S796 WeakPolarHBondContact O-CB 3.19Å; R793-S796 PolarHBondContact O-N 2.89Å; F794-S796 VanDerWaalsContact C-N 3.34Å; F794-S796 PolarHBondContact O-N 3.43Å; S796-N799 PolarHBondContact O-N 2.81Å; S796-V800 WeakPolarHBondContact O-CB 3.42Å; S796-V800 WeakPolarHBondContact O-CG2 3.3Å; S796-V800 PolarHBondContact O-N 3.44Å
797M71.2Confident74.9Confident113 Ų11398.7 Ų98.756%0.55751%0.512SS*.Hα-helixtrans-66.8-43.3-178.6-160163.1-170.200111.6R793 F794 I795 V800 L801R793-M797 VanDerWaalsContact O-CB 3.28Å; R793-M797 WeakPolarHBondContact O-CB 3.2Å; R793-M797 PolarHBondContact O-N 3.48Å; F794-M797 PolarHBondContact O-N 3.16Å; F794-M797 VanDerWaalsContact O-N 3.16Å; I795-M797 VanDerWaalsContact C-N 3.31Å; I795-M797 PolarHBondContact O-N 2.93Å; M797-V800 PolarHBondContact O-N 2.63Å; M797-L801 HydrophobicContact CG-CD1 3.95Å; M797-L801 VanDerWaalsContact O-CB 3.3Å; M797-L801 WeakPolarHBondContact O-CB 3.43Å; M797-L801 WeakPolarHBondContact O-CD1 3.12Å; M797-L801 WeakPolarHBondContact O-CG 3.38Å; M797-L801 PolarHBondContact O-N 2.98Å
798V73.1Confident74.2Confident46 Ų4697.5 Ų97.528%0.27951%0.51SS..Hα-helixtrans-63.6-42.5175.4167.80000111.5F794 I795 G802 L806F794-V798 HydrophobicContact CD1-CG2 3.89Å; F794-V798 HydrophobicContact CE1-CG2 3.54Å; F794-V798 HydrophobicContact CE2-CG2 4.45Å; F794-V798 HydrophobicContact CG-CG2 4.48Å; F794-V798 HydrophobicContact CZ-CG2 3.86Å; F794-V798 WeakPolarHBondContact O-CB 3.48Å; F794-V798 VanDerWaalsContact O-CG2 3.3Å; F794-V798 WeakPolarHBondContact O-CG2 3.18Å; F794-V798 PolarHBondContact O-N 3.44Å; I795-V798 PolarHBondContact O-N 3.48Å; V798-G802 PolarHBondContact O-N 2.89Å; V798-L806 HydrophobicContact CB-CD1 4.26Å; V798-L806 HydrophobicContact CG1-CD1 3.77Å; V798-L806 HydrophobicContact CG2-CD1 4.19Å
799N74.6Confident73.1Confident124 Ų12497.6 Ų97.666%0.66351%0.512SS*.Hα-helixtrans-68.3-36.4177.8-75.4-15.7000112.5I795 S796I795-N799 VanDerWaalsContact O-CB 3.3Å; I795-N799 WeakPolarHBondContact O-CB 3.36Å; I795-N799 VanDerWaalsContact O-CG 3.26Å; I795-N799 PolarHBondContact O-N 2.85Å; I795-N799 PolarHBondContact O-ND2 2.72Å; S796-N799 PolarHBondContact O-N 2.81Å
800V77.6Confident72.2Confident122 Ų12296 Ų9674%0.73952%0.516SS*.Hα-helixtrans-72.8-40.4176.6169.70000111.6S796 M797S796-V800 WeakPolarHBondContact O-CB 3.42Å; S796-V800 WeakPolarHBondContact O-CG2 3.3Å; S796-V800 PolarHBondContact O-N 3.44Å; M797-V800 PolarHBondContact O-N 2.63Å
801L63.1Low71.6Confident65 Ų6593.8 Ų93.834%0.3451%0.509SS..Hα-helixtrans-65.7-43.7175.4-80.8158.1000110.5M797 T805 L806 M809M797-L801 HydrophobicContact CG-CD1 3.95Å; M797-L801 VanDerWaalsContact O-CB 3.3Å; M797-L801 WeakPolarHBondContact O-CB 3.43Å; M797-L801 WeakPolarHBondContact O-CD1 3.12Å; M797-L801 WeakPolarHBondContact O-CG 3.38Å; M797-L801 PolarHBondContact O-N 2.98Å; L801-T805 PolarHBondContact O-OG1 3.39Å; L801-L806 HydrophobicContact CB-CG 4.31Å; L801-L806 HydrophobicContact CD1-CD2 4.49Å; L801-M809 HydrophobicContact CD2-SD 4.23Å
802G72.4Confident70.9Confident25 Ų2589.2 Ų89.226%0.25850%0.497SS..Hα-helixtrans80.5153-176.300000112.7V798 D804 T805 L806V798-G802 PolarHBondContact O-N 2.89Å; G802-D804 PolarHBondContact O-N 3Å; G802-D804 VanDerWaalsContact O-N 3.13Å; G802-T805 PolarHBondContact O-N 2.93Å; G802-T805 PolarHBondContact O-OG1 2.89Å; G802-L806 PolarHBondContact O-N 3.32Å
803A72Confident69.8Low75 Ų7591.1 Ų91.162%0.6250%0.504SS*.Hα-helixtrans-61.2-25.3-173.900000113.7R807A803-R807 PolarHBondContact O-N 2.8Å
804D71.1Confident69.1Low115 Ų11586.2 Ų86.262%0.61549%0.493SS*.Hα-helixtrans-79.5-39.4-178.8-67.9-37.4000112.9G802 R807 A808G802-D804 PolarHBondContact O-N 3Å; G802-D804 VanDerWaalsContact O-N 3.13Å; D804-R807 PolarHBondContact O-N 3.39Å; D804-R807 IonicContact OD1-CZ 2.99Å; D804-R807 IonicContact OD1-NH1 3.97Å; D804-R807 IonicContact OD1-NH2 3.69Å; D804-R807 PolarHBondContact OD1-NH2 3.04Å; D804-A808 PolarHBondContact O-N 3.26Å; D804-A808 VanDerWaalsContact O-N 3.11Å
805T66.9Low68.6Low63 Ų6383.1 Ų83.139%0.38748%0.483SS..Hα-helixtrans-72.8-36.9176.460.20000111.6L801 G802 R807 A808 M809L801-T805 PolarHBondContact O-OG1 3.39Å; G802-T805 PolarHBondContact O-N 2.93Å; G802-T805 PolarHBondContact O-OG1 2.89Å; T805-R807 VanDerWaalsContact C-N 3.28Å; T805-R807 PolarHBondContact O-N 2.81Å; T805-A808 CarbonylContact O-C 3.59Å; T805-A808 PolarHBondContact O-N 3.22Å; T805-A808 VanDerWaalsContact O-N 3.14Å; T805-M809 WeakPolarHBondContact O-CG 3.47Å; T805-M809 PolarHBondContact O-N 3.47Å
806L61.8Low67.8Low64 Ų6484.5 Ų84.534%0.33549%0.491SS..Hα-helixtrans-59.4-40.4174-82.2164.3000111.9V798 L801 G802 M809 A810V798-L806 HydrophobicContact CB-CD1 4.26Å; V798-L806 HydrophobicContact CG1-CD1 3.77Å; V798-L806 HydrophobicContact CG2-CD1 4.19Å; L801-L806 HydrophobicContact CB-CG 4.31Å; L801-L806 HydrophobicContact CD1-CD2 4.49Å; G802-L806 PolarHBondContact O-N 3.32Å; L806-M809 PolarHBondContact O-N 2.87Å; L806-A810 VanDerWaalsContact O-CB 3.23Å; L806-A810 WeakPolarHBondContact O-CB 3.41Å; L806-A810 PolarHBondContact O-N 3.28Å
807R67.9Low66.7Low151 Ų15182.4 Ų82.457%0.5748%0.477SS*.Hα-helixtrans-62.8-46.4174.1-162.4-172.8-45.8144.519.8111A803 D804 T805 M809 A810 T811A803-R807 PolarHBondContact O-N 2.8Å; D804-R807 PolarHBondContact O-N 3.39Å; D804-R807 IonicContact OD1-CZ 2.99Å; D804-R807 IonicContact OD1-NH1 3.97Å; D804-R807 IonicContact OD1-NH2 3.69Å; D804-R807 PolarHBondContact OD1-NH2 3.04Å; T805-R807 VanDerWaalsContact C-N 3.28Å; T805-R807 PolarHBondContact O-N 2.81Å; R807-M809 VanDerWaalsContact C-N 3.35Å; R807-M809 PolarHBondContact O-N 2.99Å; R807-A810 PolarHBondContact O-N 2.87Å; R807-T811 WeakPolarHBondContact O-CG2 3.37Å; R807-T811 PolarHBondContact O-N 3.31Å; R807-T811 PolarHBondContact O-OG1 3.4Å
808A66Low66.1Low58 Ų5881.6 Ų81.648%0.47947%0.474SS..Hα-helixtrans-63.3-38.1178.200000112.7D804 T805 A812D804-A808 PolarHBondContact O-N 3.26Å; D804-A808 VanDerWaalsContact O-N 3.11Å; T805-A808 CarbonylContact O-C 3.59Å; T805-A808 PolarHBondContact O-N 3.22Å; T805-A808 VanDerWaalsContact O-N 3.14Å; A808-A812 WeakPolarHBondContact O-CA 3.3Å; A808-A812 WeakPolarHBondContact O-CB 3.46Å; A808-A812 PolarHBondContact O-N 3.48Å
809M62.5Low65.5Low125 Ų12588.1 Ų88.162%0.61649%0.494SS*.Hα-helixtrans-70.9-42.9176.3-68.9179103.800111.8L801 T805 L806 R807 A812L801-M809 HydrophobicContact CD2-SD 4.23Å; T805-M809 WeakPolarHBondContact O-CG 3.47Å; T805-M809 PolarHBondContact O-N 3.47Å; L806-M809 PolarHBondContact O-N 2.87Å; R807-M809 VanDerWaalsContact C-N 3.35Å; R807-M809 PolarHBondContact O-N 2.99Å; M809-A812 WeakPolarHBondContact O-CB 3.34Å; M809-A812 PolarHBondContact O-N 2.9Å
810A63.8Low64.5Low80 Ų8085.7 Ų85.766%0.66148%0.479SS*.Hα-helixtrans-66.2-37.7178.500000112L806 R807L806-A810 VanDerWaalsContact O-CB 3.23Å; L806-A810 WeakPolarHBondContact O-CB 3.41Å; L806-A810 PolarHBondContact O-N 3.28Å; R807-A810 PolarHBondContact O-N 2.87Å
811T66.3Low63.4Low51 Ų5181.3 Ų81.331%0.31345%0.451SS..Hα-helixtrans-84.3-15.117568.40000112.9R807 E813 S814 D815R807-T811 WeakPolarHBondContact O-CG2 3.37Å; R807-T811 PolarHBondContact O-N 3.31Å; R807-T811 PolarHBondContact O-OG1 3.4Å; T811-E813 VanDerWaalsContact C-N 3.3Å; T811-E813 PolarHBondContact O-N 2.76Å; T811-S814 WeakPolarHBondContact CA-OG 3.35Å; T811-S814 CarbonylContact O-C 3.58Å; T811-S814 PolarHBondContact O-N 2.89Å; T811-S814 VanDerWaalsContact O-N 3.16Å; T811-S814 PolarHBondContact O-OG 3.39Å; T811-D815 WeakPolarHBondContact CB-OD2 3.45Å; T811-D815 WeakPolarHBondContact O-CA 3.48Å; T811-D815 WeakPolarHBondContact O-CB 3.5Å; T811-D815 PolarHBondContact O-N 3.43Å; T811-D815 PolarHBondContact OG1-OD2 3.29Å; T811-D815 VanDerWaalsContact OG1-OD2 3.08Å
812A64.6Low63.2Low44 Ų4484.6 Ų84.636%0.36447%0.469SS..Hα-helixtrans-56.7-41.9-175.800000112.8A808 M809 N816A808-A812 WeakPolarHBondContact O-CA 3.3Å; A808-A812 WeakPolarHBondContact O-CB 3.46Å; A808-A812 PolarHBondContact O-N 3.48Å; M809-A812 WeakPolarHBondContact O-CB 3.34Å; M809-A812 PolarHBondContact O-N 2.9Å; A812-N816 VanDerWaalsContact O-CB 3.27Å; A812-N816 WeakPolarHBondContact O-CB 3.4Å; A812-N816 PolarHBondContact O-N 3.33Å
813E59.6Low62.6Low153 Ų15387.6 Ų87.672%0.71549%0.492SS*.Hα-helixtrans-71.1-44.3178.5-166.9175.3-167.500111.1T811 D815 N816 S817T811-E813 VanDerWaalsContact C-N 3.3Å; T811-E813 PolarHBondContact O-N 2.76Å; E813-D815 VanDerWaalsContact C-N 3.33Å; E813-D815 PolarHBondContact O-N 3.19Å; E813-N816 PolarHBondContact O-N 3.13Å; E813-S817 WeakPolarHBondContact O-CB 3.46Å; E813-S817 PolarHBondContact O-N 3.03Å; E813-S817 PolarHBondContact O-OG 3.36Å
814S64.4Low62.2Low55 Ų5587.9 Ų87.939%0.38548%0.482SS..Hα-helixtrans-65.8-35.5175.860.70000112.5T811 S817 L818T811-S814 WeakPolarHBondContact CA-OG 3.35Å; T811-S814 CarbonylContact O-C 3.58Å; T811-S814 PolarHBondContact O-N 2.89Å; T811-S814 VanDerWaalsContact O-N 3.16Å; T811-S814 PolarHBondContact O-OG 3.39Å; S814-S817 PolarHBondContact O-N 2.83Å; S814-L818 WeakPolarHBondContact O-CB 3.43Å; S814-L818 WeakPolarHBondContact O-CD1 3.19Å; S814-L818 VanDerWaalsContact O-CG 3.22Å; S814-L818 WeakPolarHBondContact O-CG 3.23Å; S814-L818 PolarHBondContact O-N 3.32Å
815D63.1Low61.5Low74 Ų7485.5 Ų85.540%0.39649%0.485SS..Hα-helixtrans-73.3-40.4179-82.3-27.9000110.7T811 E813 R819T811-D815 WeakPolarHBondContact CB-OD2 3.45Å; T811-D815 WeakPolarHBondContact O-CA 3.48Å; T811-D815 WeakPolarHBondContact O-CB 3.5Å; T811-D815 PolarHBondContact O-N 3.43Å; T811-D815 PolarHBondContact OG1-OD2 3.29Å; T811-D815 VanDerWaalsContact OG1-OD2 3.08Å; E813-D815 VanDerWaalsContact C-N 3.33Å; E813-D815 PolarHBondContact O-N 3.19Å; D815-R819 WeakPolarHBondContact O-CB 3.47Å; D815-R819 WeakPolarHBondContact O-CG 3.42Å; D815-R819 PolarHBondContact O-N 2.56Å
816N64.8Low60.8Low103 Ų10386.5 Ų86.555%0.55149%0.488SS*.Hα-helixtrans-67.7-39.6171-90.3-9.4000111.4A812 E813 R819 M820A812-N816 VanDerWaalsContact O-CB 3.27Å; A812-N816 WeakPolarHBondContact O-CB 3.4Å; A812-N816 PolarHBondContact O-N 3.33Å; E813-N816 PolarHBondContact O-N 3.13Å; N816-R819 PolarHBondContact O-N 3.32Å; N816-M820 VanDerWaalsContact O-CB 3.27Å; N816-M820 WeakPolarHBondContact O-CB 3.42Å; N816-M820 VanDerWaalsContact O-CG 3.26Å; N816-M820 WeakPolarHBondContact O-CG 3.48Å; N816-M820 PolarHBondContact O-N 3.29Å
817S54.2Low60.4Low24 Ų2492 Ų9217%0.16851%0.512CS..Hα-helixtrans-64.3-43.9176.5-64.50000111.8E813 S814 M820 L821E813-S817 WeakPolarHBondContact O-CB 3.46Å; E813-S817 PolarHBondContact O-N 3.03Å; E813-S817 PolarHBondContact O-OG 3.36Å; S814-S817 PolarHBondContact O-N 2.83Å; S817-M820 PolarHBondContact O-N 2.82Å; S817-L821 WeakPolarHBondContact O-CB 3.42Å; S817-L821 WeakPolarHBondContact O-CG 3.27Å; S817-L821 PolarHBondContact O-N 3.14Å
818L57.8Low59.4Low96 Ų9689 Ų8950%0.50351%0.514SS..Hα-helixtrans-67.1-39.8174.3-81.4163000111.3S814 N822S814-L818 WeakPolarHBondContact O-CB 3.43Å; S814-L818 WeakPolarHBondContact O-CD1 3.19Å; S814-L818 VanDerWaalsContact O-CG 3.22Å; S814-L818 WeakPolarHBondContact O-CG 3.23Å; S814-L818 PolarHBondContact O-N 3.32Å; L818-N822 VanDerWaalsContact O-CB 3.31Å; L818-N822 WeakPolarHBondContact O-CB 3.17Å; L818-N822 PolarHBondContact O-N 3.38Å
819R61.1Low58.6Low183 Ų18391 Ų9169%0.69152%0.52SS*.Hα-helixtrans-65.2-39.8173.3-79.4176.5179.1172.61.9112.1D815 N816 A823D815-R819 WeakPolarHBondContact O-CB 3.47Å; D815-R819 WeakPolarHBondContact O-CG 3.42Å; D815-R819 PolarHBondContact O-N 2.56Å; N816-R819 PolarHBondContact O-N 3.32Å; R819-A823 WeakPolarHBondContact O-CB 3.26Å; R819-A823 PolarHBondContact O-N 3.11Å
820M53.8Low57.7Low73 Ų7392 Ų9236%0.3653%0.527SS..Hα-helixtrans-65.8-46.3175.2-81.8-85.2-7900111.3N816 S817 A823 L824 I848N816-M820 VanDerWaalsContact O-CB 3.27Å; N816-M820 WeakPolarHBondContact O-CB 3.42Å; N816-M820 VanDerWaalsContact O-CG 3.26Å; N816-M820 WeakPolarHBondContact O-CG 3.48Å; N816-M820 PolarHBondContact O-N 3.29Å; S817-M820 PolarHBondContact O-N 2.82Å; M820-A823 PolarHBondContact O-N 2.88Å; M820-L824 VanDerWaalsContact O-CB 3.31Å; M820-L824 WeakPolarHBondContact O-CB 3.22Å; M820-L824 WeakPolarHBondContact O-CD1 3.09Å; M820-L824 WeakPolarHBondContact O-CG 3.16Å; M820-L824 PolarHBondContact O-N 3.15Å; M820-I848 HydrophobicContact CE-CD1 3.62Å
821L54Low56.9Low30 Ų3093.6 Ų93.616%0.15752%0.524CS..Hα-helixtrans-61.3-44.5175.2-80.1163.9000111.6S817 L824 G825 L826S817-L821 WeakPolarHBondContact O-CB 3.42Å; S817-L821 WeakPolarHBondContact O-CG 3.27Å; S817-L821 PolarHBondContact O-N 3.14Å; L821-L824 PolarHBondContact O-N 3.38Å; L821-G825 PolarHBondContact O-N 3.45Å; L821-L826 HydrophobicContact CD2-CB 3.77Å; L821-L826 HydrophobicContact CD2-CD1 4.4Å; L821-L826 PolarHBondContact O-N 2.9Å
822N59.2Low55.9Low134 Ų13495.6 Ų95.672%0.71754%0.536SS*.Hα-helixtrans-63.8-41.6174.2-95-16.3000112.5L818 L824 G825L818-N822 VanDerWaalsContact O-CB 3.31Å; L818-N822 WeakPolarHBondContact O-CB 3.17Å; L818-N822 PolarHBondContact O-N 3.38Å; N822-L824 VanDerWaalsContact C-N 3.34Å; N822-G825 PolarHBondContact O-N 3.46Å; N822-G825 VanDerWaalsContact O-N 3.17Å
823A60.1Low55.1Low88 Ų88100 Ų10073%0.72755%0.553SS**Hα-helixtrans-68.6-32.4178.700000112.7R819 M820 G825R819-A823 WeakPolarHBondContact O-CB 3.26Å; R819-A823 PolarHBondContact O-N 3.11Å; M820-A823 PolarHBondContact O-N 2.88Å; A823-G825 PolarHBondContact O-N 3.43Å
824L62.4Low54.7Low81 Ų8196.5 Ų96.542%0.42456%0.558SS.*THydrogen-bonded Turntrans-81.1-0.8173.7-75.5158.3000112.9M820 L821 N822 L826 A844M820-L824 VanDerWaalsContact O-CB 3.31Å; M820-L824 WeakPolarHBondContact O-CB 3.22Å; M820-L824 WeakPolarHBondContact O-CD1 3.09Å; M820-L824 WeakPolarHBondContact O-CG 3.16Å; M820-L824 PolarHBondContact O-N 3.15Å; L821-L824 PolarHBondContact O-N 3.38Å; N822-L824 VanDerWaalsContact C-N 3.34Å; L824-L826 HydrophobicContact CB-CD1 3.86Å; L824-L826 HydrophobicContact CB-CG 4.1Å; L824-L826 HydrophobicContact CD1-CD1 4.39Å; L824-L826 PolarHBondContact O-N 2.89Å; L824-L826 VanDerWaalsContact O-N 3.17Å; L824-A844 HydrophobicContact CD1-CB 4.16Å
825G56.3Low54.2Low65 Ų65100.4 Ų100.467%0.6758%0.58SS**THydrogen-bonded Turntrans63.416.9-177.100000113.8L821 N822 A823 Q827L821-G825 PolarHBondContact O-N 3.45Å; N822-G825 PolarHBondContact O-N 3.46Å; N822-G825 VanDerWaalsContact O-N 3.17Å; A823-G825 PolarHBondContact O-N 3.43Å; G825-Q827 PolarHBondContact O-N 2.86Å
826L53.6Low53.1Low84 Ų84101.7 Ų101.744%0.4459%0.591SS.*  trans-8898.1-178.6-72.6167.1000108.7L821 L824 S828L821-L826 HydrophobicContact CD2-CB 3.77Å; L821-L826 HydrophobicContact CD2-CD1 4.4Å; L821-L826 PolarHBondContact O-N 2.9Å; L824-L826 HydrophobicContact CB-CD1 3.86Å; L824-L826 HydrophobicContact CB-CG 4.1Å; L824-L826 HydrophobicContact CD1-CD1 4.39Å; L824-L826 PolarHBondContact O-N 2.89Å; L824-L826 VanDerWaalsContact O-N 3.17Å; L826-S828 PolarHBondContact O-N 3.24Å
827Q52.3Low52.6Low180 Ų180101.4 Ų101.484%0.84160%0.595SS**  trans-61.8121.5162.6-72.5-174.2-20.700108.1G825 T829G825-Q827 PolarHBondContact O-N 2.86Å; Q827-T829 VanDerWaalsContact C-N 3.34Å; Q827-T829 PolarHBondContact O-N 2.67Å; Q827-T829 PolarHBondContact O-OG1 3.47Å
828S46.9Very low52.5Low89 Ų89104.1 Ų104.162%0.62261%0.61SS**  trans-66.587-175.363.80000111.3L826L826-S828 PolarHBondContact O-N 3.24Å
829T49.2Very low52.1Low99 Ų99103.6 Ų103.661%0.60761%0.608SS**  trans-85.5109.1165.325.20000108.4Q827 I831 L840Q827-T829 VanDerWaalsContact C-N 3.34Å; Q827-T829 PolarHBondContact O-N 2.67Å; Q827-T829 PolarHBondContact O-OG1 3.47Å; T829-I831 PolarHBondContact O-N 2.93Å; T829-L840 WeakPolarHBondContact O-CD1 3.38Å
830L44.8Very low51.8Low145 Ų14597.9 Ų97.976%0.75959%0.59SS**  trans-61.2101171.6-106.5144.9000109.2T832L830-T832 HydrophobicContact CB-CG2 4.36Å; L830-T832 HydrophobicContact CD2-CG2 3.48Å; L830-T832 VanDerWaalsContact CD2-CG2 3.48Å; L830-T832 PolarHBondContact O-N 3.16Å
831I46.6Very low51.7Low115 Ų11597.4 Ų97.459%0.5959%0.589SS**  trans-90.599.1167.5-57.2175.8000106.5T829T829-I831 PolarHBondContact O-N 2.93Å
832T45.5Very low51.7Low92 Ų92100.4 Ų100.456%0.56461%0.609SS**EExtended strand (participates in β ladder)trans-105.5132.9178.957.80000110.1L830L830-T832 HydrophobicContact CB-CG2 4.36Å; L830-T832 HydrophobicContact CD2-CG2 3.48Å; L830-T832 VanDerWaalsContact CD2-CG2 3.48Å; L830-T832 PolarHBondContact O-N 3.16Å
833D46.6Very low51.5Low137 Ų13797.2 Ų97.273%0.73359%0.594SS**EExtended strand (participates in β ladder)trans-129.990.1169-149.96.1000109.2T835D833-T835 VanDerWaalsContact C-N 3.31Å; D833-T835 PolarHBondContact O-N 3.46Å
834G51.7Low51.2Low80 Ų8093.5 Ų93.583%0.82556%0.563SS**THydrogen-bonded Turntrans61-31.7155.600000122.7
835T54.4Low50.6Low137 Ų13796 Ų9684%0.8457%0.573SS**THydrogen-bonded Turntrans-149.7-19.3-179.641.80000114.3D833D833-T835 VanDerWaalsContact C-N 3.31Å; D833-T835 PolarHBondContact O-N 3.46Å
836T40.4Very low50.5Low100 Ų10094.8 Ų94.861%0.61356%0.56SS**EExtended strand (participates in β ladder)trans-133.9110.2176.843.40000110V838T836-V838 PolarHBondContact O-N 2.75Å
837P53.2Low50.5Low98 Ų9896.5 Ų96.564%0.63657%0.569SS**EExtended strand (participates in β ladder)trans-64.1125.8170.125-30000109.1N839P837-N839 PolarHBondContact O-N 3.46Å
838V51.7Low50.4Low80 Ų8091.6 Ų91.649%0.48555%0.548SS..  trans-66.2105.1173.9-178.10000106.8T836 L840T836-V838 PolarHBondContact O-N 2.75Å; V838-L840 PolarHBondContact O-N 3.36Å
839N49.4Very low50.5Low86 Ų8688.8 Ų88.846%0.4653%0.533SS..  trans-69.795.4179.3-170.61.5000108.5P837 L841 T842 T843P837-N839 PolarHBondContact O-N 3.46Å; N839-L841 PolarHBondContact O-N 3Å; N839-L841 WeakPolarHBondContact OD1-CB 3.27Å; N839-L841 PolarHBondContact OD1-N 2.77Å; N839-T842 WeakPolarHBondContact CB-OG1 3.45Å; N839-T842 PolarHBondContact O-N 2.87Å; N839-T842 PolarHBondContact O-OG1 3.29Å; N839-T843 PolarHBondContact O-N 2.64Å; N839-T843 PolarHBondContact O-OG1 2.8Å
840L56.7Low50.3Low62 Ų6289 Ų8933%0.32554%0.539SS..Hα-helixtrans-58.7-19.4-179.7-69.2174.4000112.5T829 V838 T843 A844T829-L840 WeakPolarHBondContact O-CD1 3.38Å; V838-L840 PolarHBondContact O-N 3.36Å; L840-T843 WeakPolarHBondContact O-CB 3.36Å; L840-T843 PolarHBondContact O-N 2.85Å; L840-A844 PolarHBondContact O-N 3.4Å
841L51.6Low50.3Low63 Ų6387.3 Ų87.333%0.3353%0.534SS..Hα-helixtrans-67.2-41.3173.5-67.3160.9000111.9N839 T843 A844 H845N839-L841 PolarHBondContact O-N 3Å; N839-L841 WeakPolarHBondContact OD1-CB 3.27Å; N839-L841 PolarHBondContact OD1-N 2.77Å; L841-T843 PolarHBondContact O-N 2.68Å; L841-A844 PolarHBondContact O-N 3.08Å; L841-H845 WeakPolarHBondContact O-CB 3.17Å; L841-H845 PolarHBondContact O-N 2.84Å
842T52.7Low50Low94 Ų9489.7 Ų89.758%0.57754%0.541SS*.Hα-helixtrans-64.9-31.6172.328.90000111.6N839 G846N839-T842 WeakPolarHBondContact CB-OG1 3.45Å; N839-T842 PolarHBondContact O-N 2.87Å; N839-T842 PolarHBondContact O-OG1 3.29Å; T842-G846 PolarHBondContact O-N 2.82Å
843T54.8Low49.4Very low66 Ų6693.8 Ų93.841%0.40555%0.553SS.*Hα-helixtrans-70.9-40.8175.1-27.80000111.8N839 L840 L841 G846 L847N839-T843 PolarHBondContact O-N 2.64Å; N839-T843 PolarHBondContact O-OG1 2.8Å; L840-T843 WeakPolarHBondContact O-CB 3.36Å; L840-T843 PolarHBondContact O-N 2.85Å; L841-T843 PolarHBondContact O-N 2.68Å; T843-G846 PolarHBondContact O-N 3.17Å; T843-L847 WeakPolarHBondContact O-CB 3.18Å; T843-L847 WeakPolarHBondContact O-CG 3.2Å; T843-L847 PolarHBondContact O-N 3.41Å
844A54.1Low48.7Very low10 Ų1091.3 Ų91.38%0.08356%0.56CS.*Hα-helixtrans-66.7-41.9174.600000111.9L824 L840 L841 G846 L847 I848L824-A844 HydrophobicContact CD1-CB 4.16Å; L840-A844 PolarHBondContact O-N 3.4Å; L841-A844 PolarHBondContact O-N 3.08Å; A844-G846 VanDerWaalsContact C-N 3.33Å; A844-L847 PolarHBondContact O-N 2.94Å; A844-I848 WeakPolarHBondContact O-CG1 3.31Å; A844-I848 PolarHBondContact O-N 2.86Å
845H50.1Low47.9Very low134 Ų13492.2 Ų92.262%0.6255%0.554SS**Hα-helixtrans-65.1-35.8172.1-96.4-63.5000112.3L841 G849L841-H845 WeakPolarHBondContact O-CB 3.17Å; L841-H845 PolarHBondContact O-N 2.84Å; H845-G849 WeakPolarHBondContact O-CA 3.31Å; H845-G849 PolarHBondContact O-N 3.27Å
846G53.6Low46.7Very low40 Ų4091.3 Ų91.341%0.41255%0.553SS.*Hα-helixtrans-69.1-37.4174.100000113T842 T843 A844 S850T842-G846 PolarHBondContact O-N 2.82Å; T843-G846 PolarHBondContact O-N 3.17Å; A844-G846 VanDerWaalsContact C-N 3.33Å; G846-S850 WeakPolarHBondContact O-CB 3.46Å; G846-S850 PolarHBondContact O-N 2.82Å
847L53.8Low46.1Very low119 Ų11998 Ų9862%0.62357%0.567SS**Hα-helixtrans-67.8-38.5175.6-85.2158.6000112.1T843 A844T843-L847 WeakPolarHBondContact O-CB 3.18Å; T843-L847 WeakPolarHBondContact O-CG 3.2Å; T843-L847 PolarHBondContact O-N 3.41Å; A844-L847 PolarHBondContact O-N 2.94Å
848I51.1Low45Very low77 Ų77102.4 Ų102.440%0.39558%0.576SS.*Hα-helixtrans-78.4-39.6175.9-65.6169.3000110.9M820 A844 V851M820-I848 HydrophobicContact CE-CD1 3.62Å; A844-I848 WeakPolarHBondContact O-CG1 3.31Å; A844-I848 PolarHBondContact O-N 2.86Å; I848-V851 WeakPolarHBondContact O-CB 3.41Å; I848-V851 PolarHBondContact O-N 3.45Å
849G47.7Very low43.8Very low31 Ų31109.3 Ų109.332%0.3259%0.593SS.*Hα-helixtrans-69.9-32.9179.400000113.4H845 V851 F852 E853H845-G849 WeakPolarHBondContact O-CA 3.31Å; H845-G849 PolarHBondContact O-N 3.27Å; G849-V851 PolarHBondContact O-N 3.33Å; G849-F852 PolarHBondContact O-N 3.48Å; G849-E853 PolarHBondContact O-N 3.17Å
850S44.9Very low42.8Very low103 Ų103110.3 Ų110.372%0.7261%0.614SS**THydrogen-bonded Turntrans-70.6-11.1173.9-165.30000112.9G846G846-S850 WeakPolarHBondContact O-CB 3.46Å; G846-S850 PolarHBondContact O-N 2.82Å
851V46.1Very low41.5Very low109 Ų109112.7 Ų112.766%0.66164%0.635SS**THydrogen-bonded Turntrans-80.8-20167.8179.90000111.4I848 G849I848-V851 WeakPolarHBondContact O-CB 3.41Å; I848-V851 PolarHBondContact O-N 3.45Å; G849-V851 PolarHBondContact O-N 3.33Å
852F40.3Very low40.5Very low166 Ų166116.9 Ų116.973%0.72865%0.653SS**THydrogen-bonded Turntrans-116.1-11.1-174.7-83.5-79.5000116.9G849G849-F852 PolarHBondContact O-N 3.48Å
853E32.6Very low39.5Very low178 Ų178119.4 Ų119.483%0.83267%0.668SS**  trans-111.855.6178-70.6-170.1160.100113.8G849 S855G849-E853 PolarHBondContact O-N 3.17Å; E853-S855 VanDerWaalsContact C-N 3.29Å
854G32.3Very low38.3Very low84 Ų84123.6 Ų123.687%0.86669%0.687SS**SBendtrans-85.18.7159.100000113.9
855S34.4Very low37.2Very low100 Ų100126.3 Ų126.370%0.69972%0.717SS**SBendtrans-149.277.1-167.856.90000114E853E853-S855 VanDerWaalsContact C-N 3.29Å
856S30.3Very low36.3Very low117 Ų117126.1 Ų126.182%0.81872%0.72SS**  trans176.886.8143177.40000110.3
857R26.1Very low35.3Very low240 Ų240131 Ų13191%0.90674%0.742SS**  trans-66.4131.4150.3-83.9171.7162.6168.9-5.4108.6
858K30.3Very low34.3Very low192 Ų192131.8 Ų131.884%0.83575%0.747SS**  trans161.9107.5133.1-90.8168.1-179.5-176.80108.7
859R26.4Very low33.6Very low225 Ų225131.6 Ų131.685%0.84976%0.764SS**  50.895.6101.1-80.4-167.8178.1-173.1-1.6113.7
860A29.8Very low33.1Very low107 Ų107143.7 Ų143.788%0.88481%0.807SS**  trans-151.362.115100000108.6
861S29.7Very low32.6Very low111 Ų111145.7 Ų145.778%0.77681%0.811SS**  trans-13663.1171.461.80000107.3
862E29Very low31.8Very low151 Ų151147.6 Ų147.671%0.70682%0.819SS**  trans-159.473.7176.2-108.8170.3-157.400107.6
863V33.3Very low31.4Very low148 Ų148146.6 Ų146.690%0.89783%0.825SS**  trans-129.177.4143.6-1760000105.7
864L28.6Very low31.3Very low153 Ų153144.8 Ų144.880%0.80182%0.824SS**  trans-63.4119.5151.4-88.5137.2000107.2
865G30.9Very low31.2Very low68 Ų68148.6 Ų148.670%0.70182%0.821SS**  trans-138.262.7169.500000109.2V867G865-V867 PolarHBondContact O-N 3.17Å
866N30.8Very low31Very low129 Ų129151.8 Ų151.869%0.6983%0.83SS**  trans-51.8117.9157.5-1004.6000108.5
867V33.9Very low31.1Very low143 Ų143154.3 Ų154.387%0.86783%0.83SS**  trans-13186.8144.7-177.40000106.1G865G865-V867 PolarHBondContact O-N 3.17Å
868D32.7Very low31.5Very low136 Ų136147.7 Ų147.773%0.72783%0.825SS**  trans-54.1144.4151.1-74.5-51.7000109.9
869G35.5Very low31.6Very low73 Ų73144 Ų14475%0.75382%0.824SS**  trans94.466.3147.200000117.3
870K38.2Very low32Very low284 Ų284136.6 Ų136.6100%1.23582%0.821SS**  trans-146.50131.4-103.4-170.3-176.1-178.50111.1

Retrieved 870 of 870 residues in 362.8 ms (Link to these results)

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