A0A3Q0KM40_SCHMA Loading...

Pepsin A AlphaSync

AlphaFold DB , UniProt , Accession A0A3Q0KM40, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 340 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
1M41.7Very low63.6Low218 Ų218102.3 Ų102.3100%1.07449%0.494SS*.  0116.90-140.1179.3-73.500106.7
2Y49.1Very low66.2Low61 Ų6198.6 Ų98.624%0.23949%0.487CS..  trans-75.1120.6174.6-177.1-93.4000107.4W4 E159 I161 L183Y2-W4 HydrophobicContact CE1-CB 4.39Å; Y2-E159 WeakPolarHBondContact OH-CG 3.3Å; Y2-I161 HydrophobicContact CE2-CD1 4.32Å; Y2-I161 WeakPolarHBondContact OH-CD1 3.48Å; Y2-L183 HydrophobicContact CD1-CD2 4.01Å; Y2-L183 HydrophobicContact CE1-CD2 4.25Å
3Q49.2Very low68.5Low181 Ų18192.8 Ų92.885%0.84646%0.457SS*.  trans-92.1110.7173.4-87.2-179.7-24.900107.9
4W50.9Low70.4Confident117 Ų11794.9 Ų94.944%0.44347%0.466SS..  trans-71.9129.6175.2-17275.3000109.5Y2 E6 T10Y2-W4 HydrophobicContact CE1-CB 4.39Å; W4-E6 HydrophobicContact CE3-CB 4.32Å; W4-E6 HydrophobicContact CE3-CG 3.88Å; W4-E6 HydrophobicContact CH2-CB 4.32Å; W4-E6 VanDerWaalsContact CZ3-CA 3.44Å; W4-E6 HydrophobicContact CZ3-CB 3.75Å; W4-E6 HydrophobicContact CZ3-CG 3.57Å; W4-T10 HydrophobicContact CZ2-CG2 4.4Å
5N55.6Low72.1Confident77 Ų7788.9 Ų88.941%0.41244%0.436SS..  trans-93.8116.6175-178.7-0000109.1Q7 N8N5-Q7 PolarHBondContact O-N 3.17Å; N5-Q7 PolarHBondContact OD1-N 2.9Å; N5-N8 PolarHBondContact O-N 2.93Å; N5-N8 VanDerWaalsContact O-N 3.1Å
6E55.1Low73.5Confident164 Ų16488.5 Ų88.577%0.76644%0.435SS*.THydrogen-bonded Turntrans-63.1-13.1-176.3-50.7-163.9141.100114.2W4 N8W4-E6 HydrophobicContact CE3-CB 4.32Å; W4-E6 HydrophobicContact CE3-CG 3.88Å; W4-E6 HydrophobicContact CH2-CB 4.32Å; W4-E6 VanDerWaalsContact CZ3-CA 3.44Å; W4-E6 HydrophobicContact CZ3-CB 3.75Å; W4-E6 HydrophobicContact CZ3-CG 3.57Å; E6-N8 VanDerWaalsContact C-N 3.31Å
7Q57Low74.6Confident150 Ų15085.6 Ų85.670%0.70142%0.422SS*.THydrogen-bonded Turntrans-79.4-12.8176.9-64.7-171.6-18.300113.9N5 N157N5-Q7 PolarHBondContact O-N 3.17Å; N5-Q7 PolarHBondContact OD1-N 2.9Å; Q7-N157 PolarHBondContact O-ND2 3.4Å
8N70.5Confident75.3Confident14 Ų1484.2 Ų84.28%0.07541%0.413CS..SBendtrans-83.6128-176.7-69-28.3000111.2N5 E6 N157 E159N5-N8 PolarHBondContact O-N 2.93Å; N5-N8 VanDerWaalsContact O-N 3.1Å; E6-N8 VanDerWaalsContact C-N 3.31Å; N8-N157 CarbonylContact C-O 3.4Å; N8-N157 WeakPolarHBondContact CA-O 3.37Å; N8-E159 HydrophobicContact CB-CG 4.37Å; N8-E159 WeakPolarHBondContact ND2-CG 3.19Å; N8-E159 PolarHBondContact ND2-OE1 2.86Å
9T84.7Confident75.7Confident70 Ų7085.3 Ų85.343%0.42942%0.418SS..  trans-69.6132.3172.1530000110.2V156 N157T9-V156 WeakPolarHBondContact OG1-CG1 3.31Å; T9-N157 PolarHBondContact N-O 3.09Å; T9-N157 PolarHBondContact OG1-O 3.05Å
10T91.8Very high76.2Confident61 Ų6182.5 Ų82.537%0.37441%0.405SS..  trans-115.9150.3172.657.90000109W4 L180W4-T10 HydrophobicContact CZ2-CG2 4.4Å; T10-L180 WeakPolarHBondContact CA-O 3.4Å
11T94Very high76.7Confident12 Ų1280 Ų807%0.07439%0.391CS..EExtended strand (participates in β ladder)trans-129.3118.1172.6-630000108.2I102 L105 L180T11-I102 HydrophobicContact CG2-CG2 4.45Å; T11-I102 WeakPolarHBondContact CG2-O 3.26Å; T11-L105 HydrophobicContact CG2-CB 3.97Å; T11-L180 HydrophobicContact CG2-CD1 4.48Å; T11-L180 PolarHBondContact N-O 3.35Å; T11-L180 PolarHBondContact O-N 3.28Å
12S94.7Very high79Confident58 Ų5870.9 Ų70.941%0.40635%0.346SS..EExtended strand (participates in β ladder)trans-95.5137.4173.7-74.20000110.4E177 L178S12-E177 VanDerWaalsContact CB-OE1 3.28Å; S12-E177 WeakPolarHBondContact CB-OE1 3.42Å; S12-E177 PolarHBondContact OG-OE1 3.17Å; S12-L178 CarbonylContact C-O 3.51Å; S12-L178 WeakPolarHBondContact CA-O 3.15Å
13E96Very high81.2Confident23 Ų2368.3 Ų68.311%0.10734%0.336CS..EExtended strand (participates in β ladder)trans-121.9124.8169.8-179.957.8-15200108.6E26 F40 I102 E177 L178E13-E26 PolarHBondContact OE1-N 3.16Å; E13-F40 HydrophobicContact CG-CE2 4.01Å; E13-F40 HydrophobicContact CG-CZ 4.23Å; E13-I102 HydrophobicContact CB-CG2 3.95Å; E13-I102 HydrophobicContact CG-CG2 4.21Å; E13-E177 WeakPolarHBondContact O-CA 3.45Å; E13-L178 HydrophobicContact CB-CB 4.36Å; E13-L178 PolarHBondContact N-O 3.32Å; E13-L178 PolarHBondContact O-N 3.23Å
14Q95.8Very high83.4Confident123 Ų12360.6 Ų60.658%0.57530%0.299SS*.EExtended strand (participates in β ladder)trans-76.8133.6175.9-71.2-171.7-12.100109.8
15L96.1Very high85.6Confident5 Ų555 Ų553%0.02628%0.278CS..EExtended strand (participates in β ladder)trans-98.8137176.7-53.5176.7000110Y24 F40 F164 L166 G175 G176 L178L15-Y24 CarbonylContact C-O 3.36Å; L15-Y24 WeakPolarHBondContact CA-O 3.36Å; L15-F40 HydrophobicContact CD2-CD2 3.91Å; L15-F40 HydrophobicContact CD2-CE2 4.12Å; L15-F164 HydrophobicContact CD1-CD1 3.88Å; L15-F164 HydrophobicContact CD1-CE1 3.99Å; L15-L166 HydrophobicContact CD1-CD2 3.91Å; L15-G175 CarbonylContact O-C 3.55Å; L15-G175 WeakPolarHBondContact O-CA 3.13Å; L15-G175 PolarHBondContact O-N 3.18Å; L15-G176 PolarHBondContact N-O 3.42Å; L15-G176 PolarHBondContact O-N 2.95Å; L15-L178 HydrophobicContact CD2-CB 4.41Å
16I94.2Very high87.5Confident82 Ų8254.5 Ų54.542%0.42127%0.274SS..EExtended strand (participates in β ladder)trans-84.2129.6168.3-60.5162.4000106.9Y23 Y24I16-Y23 VanDerWaalsContact O-CA 3.32Å; I16-Y23 WeakPolarHBondContact O-CA 3.45Å; I16-Y24 HydrophobicContact CB-CD2 4.09Å; I16-Y24 HydrophobicContact CB-CE1 4.42Å; I16-Y24 HydrophobicContact CB-CE2 3.7Å; I16-Y24 HydrophobicContact CD1-CD2 4.08Å; I16-Y24 HydrophobicContact CD1-CE2 3.55Å; I16-Y24 HydrophobicContact CG1-CE2 4.21Å; I16-Y24 HydrophobicContact CG2-CE1 4.25Å; I16-Y24 HydrophobicContact CG2-CE2 3.9Å; I16-Y24 WeakPolarHBondContact CG2-OH 2.93Å; I16-Y24 PolarHBondContact N-O 2.87Å; I16-Y24 PolarHBondContact O-N 3.19Å; I16-Y24 VanDerWaalsContact O-N 3.09Å
17N91.6Very high89.5Confident40 Ų4046.8 Ų46.821%0.21424%0.237CC..EExtended strand (participates in β ladder)trans-98.7115.9174.3172.84.1000108.5N20 Y23 N167N17-N20 PolarHBondContact ND2-OD1 2.86Å; N17-N20 VanDerWaalsContact OD1-CA 3.23Å; N17-N20 WeakPolarHBondContact OD1-CA 3.04Å; N17-N20 PolarHBondContact OD1-N 3.24Å; N17-Y23 HydrophobicContact CB-CD1 3.89Å; N17-Y23 HydrophobicContact CB-CE1 3.6Å; N17-Y23 VanDerWaalsContact CG-CE1 3.48Å; N17-N167 PolarHBondContact ND2-O 3.33Å
18F88Confident91.5Very high59 Ų5940.7 Ų40.726%0.25921%0.212SC..EExtended strand (participates in β ladder)trans-101.2103.7170.4-175.1-101.5000109.4N20 F21 Q22 Y24 K127F18-N20 PolarHBondContact O-N 2.97Å; F18-F21 PolarHBondContact O-N 2.04Å; F18-Q22 HydrophobicContact CB-CB 4.34Å; F18-Q22 PolarHBondContact N-O 3.2Å; F18-Q22 PolarHBondContact O-N 3.02Å; F18-Y24 HydrophobicContact CB-CE1 3.92Å; F18-K127 HydrophobicContact CB-CG 4.32Å; F18-K127 HydrophobicContact CD1-CG 3.61Å; F18-K127 HydrophobicContact CD2-CG 3.82Å; F18-K127 HydrophobicContact CE1-CD 4.36Å; F18-K127 HydrophobicContact CE1-CG 3.83Å; F18-K127 HydrophobicContact CE2-CD 4.34Å; F18-K127 HydrophobicContact CE2-CG 4.03Å; F18-K127 HydrophobicContact CG-CB 4.43Å; F18-K127 HydrophobicContact CG-CG 3.62Å; F18-K127 HydrophobicContact CZ-CD 4.25Å; F18-K127 HydrophobicContact CZ-CG 4.05Å
19E83Confident92.8Very high106 Ų10640 Ų4050%0.49521%0.208SC..THydrogen-bonded Turntrans53.629.4171.6-61.8179.116900114.9F21E19-F21 HydrophobicContact CB-CD2 4.49Å; E19-F21 VanDerWaalsContact O-CD2 3.31Å; E19-F21 WeakPolarHBondContact O-CD2 3.43Å; E19-F21 PolarHBondContact O-N 2.88Å; E19-F21 VanDerWaalsContact O-N 3.11Å
20N85.9Confident93.4Very high29 Ų2936.7 Ų36.716%0.15519%0.188CC..THydrogen-bonded Turntrans59.817-176.2-74-26.2000113.7N17 F18 Y23 N167 R168N17-N20 PolarHBondContact ND2-OD1 2.86Å; N17-N20 VanDerWaalsContact OD1-CA 3.23Å; N17-N20 WeakPolarHBondContact OD1-CA 3.04Å; N17-N20 PolarHBondContact OD1-N 3.24Å; F18-N20 PolarHBondContact O-N 2.97Å; N20-Y23 PolarHBondContact OD1-OH 3.31Å; N20-N167 PolarHBondContact OD1-O 2.67Å; N20-R168 PolarHBondContact ND2-O 3.13Å; N20-R168 PolarHBondContact O-NH1 2.94Å; N20-R168 WeakPolarHBondContact OD1-CA 3.4Å
21F85.9Confident93.8Very high29 Ų2935.6 Ų35.613%0.12718%0.181CC..THydrogen-bonded Turntrans-109.9-30.6179-89-75000113.1F18 E19 S230 L231 V286 M297F18-F21 PolarHBondContact O-N 2.04Å; E19-F21 HydrophobicContact CB-CD2 4.49Å; E19-F21 VanDerWaalsContact O-CD2 3.31Å; E19-F21 WeakPolarHBondContact O-CD2 3.43Å; E19-F21 PolarHBondContact O-N 2.88Å; E19-F21 VanDerWaalsContact O-N 3.11Å; F21-S230 WeakPolarHBondContact O-CB 3.32Å; F21-S230 PolarHBondContact O-OG 2.85Å; F21-L231 HydrophobicContact CE1-CD2 4.14Å; F21-V286 HydrophobicContact CD2-CG1 4.01Å; F21-V286 HydrophobicContact CE1-CG1 4.29Å; F21-V286 HydrophobicContact CE2-CB 4.48Å; F21-V286 HydrophobicContact CE2-CG1 3.26Å; F21-V286 HydrophobicContact CZ-CB 4.28Å; F21-V286 HydrophobicContact CZ-CG1 3.41Å; F21-V286 VanDerWaalsContact CZ-CG1 3.41Å; F21-M297 HydrophobicContact CE2-CE 3.69Å; F21-M297 HydrophobicContact CZ-CE 3.5Å; F21-M297 VanDerWaalsContact CZ-CE 3.5Å
22Q90.3Very high93.9Very high28 Ų2839.3 Ų39.313%0.13121%0.205CC..EExtended strand (participates in β ladder)trans-137.8130.2-177.7-57.7173.536.300110F18 Y24 N125 Y128F18-Q22 HydrophobicContact CB-CB 4.34Å; F18-Q22 PolarHBondContact N-O 3.2Å; F18-Q22 PolarHBondContact O-N 3.02Å; Q22-Y24 HydrophobicContact CB-CD1 4.3Å; Q22-N125 PolarHBondContact NE2-O 3.41Å; Q22-Y128 HydrophobicContact CG-CE1 4.48Å
23Y94.8Very high94.1Very high6 Ų640.1 Ų40.12%0.02421%0.209CC..EExtended strand (participates in β ladder)trans-117.7113.9174.3-63.3-95.4000109.6I16 N17 N20 L39 L166 N167 R168 G175 D315I16-Y23 VanDerWaalsContact O-CA 3.32Å; I16-Y23 WeakPolarHBondContact O-CA 3.45Å; N17-Y23 HydrophobicContact CB-CD1 3.89Å; N17-Y23 HydrophobicContact CB-CE1 3.6Å; N17-Y23 VanDerWaalsContact CG-CE1 3.48Å; N20-Y23 PolarHBondContact OD1-OH 3.31Å; Y23-L39 WeakPolarHBondContact O-CD1 3.31Å; Y23-L166 HydrophobicContact CD1-CB 4.26Å; Y23-L166 HydrophobicContact CD1-CD2 3.93Å; Y23-L166 HydrophobicContact CD2-CD1 4.21Å; Y23-L166 HydrophobicContact CD2-CD2 4.32Å; Y23-L166 HydrophobicContact CE1-CB 3.96Å; Y23-L166 HydrophobicContact CE1-CD2 4.5Å; Y23-L166 HydrophobicContact CE2-CB 4.39Å; Y23-L166 HydrophobicContact CE2-CD1 4.36Å; Y23-L166 HydrophobicContact CG-CD2 3.83Å; Y23-N167 WeakPolarHBondContact CE1-O 3.47Å; Y23-N167 PolarHBondContact OH-O 2.82Å; Y23-R168 VanDerWaalsContact OH-CD 3.27Å; Y23-R168 WeakPolarHBondContact OH-CD 3.5Å; Y23-R168 PolarHBondContact OH-NH1 2.82Å; Y23-G175 WeakPolarHBondContact CD1-O 3.05Å; Y23-G175 WeakPolarHBondContact CE1-O 3.43Å; Y23-D315 HydrophobicContact CD2-CB 4.24Å; Y23-D315 VanDerWaalsContact CD2-OD2 3.23Å; Y23-D315 WeakPolarHBondContact CD2-OD2 3.45Å; Y23-D315 HydrophobicContact CE2-CB 3.81Å; Y23-D315 WeakPolarHBondContact CE2-OD2 3.41Å
24Y95.7Very high94.1Very high19 Ų1940.4 Ų40.48%0.07521%0.21CC..EExtended strand (participates in β ladder)trans-136.8147.1-175.656.5-91.6000111.9L15 I16 F18 Q22 R37 V38 K127L15-Y24 CarbonylContact C-O 3.36Å; L15-Y24 WeakPolarHBondContact CA-O 3.36Å; I16-Y24 HydrophobicContact CB-CD2 4.09Å; I16-Y24 HydrophobicContact CB-CE1 4.42Å; I16-Y24 HydrophobicContact CB-CE2 3.7Å; I16-Y24 HydrophobicContact CD1-CD2 4.08Å; I16-Y24 HydrophobicContact CD1-CE2 3.55Å; I16-Y24 HydrophobicContact CG1-CE2 4.21Å; I16-Y24 HydrophobicContact CG2-CE1 4.25Å; I16-Y24 HydrophobicContact CG2-CE2 3.9Å; I16-Y24 WeakPolarHBondContact CG2-OH 2.93Å; I16-Y24 PolarHBondContact N-O 2.87Å; I16-Y24 PolarHBondContact O-N 3.19Å; I16-Y24 VanDerWaalsContact O-N 3.09Å; F18-Y24 HydrophobicContact CB-CE1 3.92Å; Q22-Y24 HydrophobicContact CB-CD1 4.3Å; Y24-R37 HydrophobicContact CD2-CB 3.89Å; Y24-R37 HydrophobicContact CD2-CG 4.2Å; Y24-R37 HydrophobicContact CE2-CB 4.31Å; Y24-R37 HydrophobicContact CE2-CG 4.2Å; Y24-V38 CarbonylContact C-O 3.59Å; Y24-V38 WeakPolarHBondContact CA-O 3.38Å; Y24-V38 WeakPolarHBondContact CB-O 3.04Å; Y24-K127 HydrophobicContact CD1-CB 4.38Å; Y24-K127 HydrophobicContact CE1-CB 3.53Å
25G96.1Very high94.2Very high0 Ų040.4 Ų40.40%021%0.208CC..EExtended strand (participates in β ladder)trans-103.2-179.1175.100000112.4R37 V38G25-R37 CarbonylContact O-C 3.54Å; G25-R37 VanDerWaalsContact O-CA 3.27Å; G25-R37 WeakPolarHBondContact O-CA 3.49Å; G25-V38 PolarHBondContact N-O 3.36Å; G25-V38 PolarHBondContact O-N 2.96Å
26E96.4Very high94.2Very high67 Ų6740.3 Ų40.331%0.31321%0.208SC..EExtended strand (participates in β ladder)trans-115.8118.7173.3-171.9175.395.500110E13 K35 R65E13-E26 PolarHBondContact OE1-N 3.16Å; E26-K35 HydrophobicContact CG-CB 4.42Å; E26-K35 VanDerWaalsContact OE1-CD 3.3Å; E26-K35 WeakPolarHBondContact OE1-CD 3.36Å; E26-K35 WeakPolarHBondContact OE1-CE 3.07Å; E26-K35 IonicContact OE1-NZ 3.24Å; E26-K35 PolarHBondContact OE1-NZ 2.84Å; E26-R65 IonicContact OE2-NH1 3.38Å
27I97.4Very high94.3Very high1 Ų139.2 Ų39.21%0.00520%0.199CC..EExtended strand (participates in β ladder)trans-110.6173.1175.264161.7000110.1V29 K35 L36 V38 F40 F49 I100 R101 I102 I132I27-V29 HydrophobicContact CD1-CG2 3.87Å; I27-V29 HydrophobicContact CG1-CG2 4.49Å; I27-K35 WeakPolarHBondContact O-CA 3.2Å; I27-L36 HydrophobicContact CG1-CB 4.27Å; I27-L36 PolarHBondContact N-O 2.88Å; I27-L36 PolarHBondContact O-N 3.43Å; I27-V38 HydrophobicContact CB-CG2 4.34Å; I27-V38 HydrophobicContact CD1-CB 4.46Å; I27-V38 HydrophobicContact CD1-CG1 3.55Å; I27-V38 HydrophobicContact CD1-CG2 4.12Å; I27-V38 HydrophobicContact CG1-CB 4.47Å; I27-V38 HydrophobicContact CG1-CG1 3.7Å; I27-V38 HydrophobicContact CG1-CG2 3.9Å; I27-V38 HydrophobicContact CG2-CG2 3.59Å; I27-F40 HydrophobicContact CG2-CZ 3.92Å; I27-F49 HydrophobicContact CD1-CE1 3.75Å; I27-F49 HydrophobicContact CD1-CZ 3.64Å; I27-I100 HydrophobicContact CD1-CG2 3.96Å; I27-R101 WeakPolarHBondContact CA-O 3.09Å; I27-R101 WeakPolarHBondContact CB-O 3.31Å; I27-I102 HydrophobicContact CG2-CG1 3.87Å; I27-I132 HydrophobicContact CD1-CD1 3.93Å; I27-I132 HydrophobicContact CG2-CD1 4.29Å
28S97.9Very high94.5Very high23 Ų2337.3 Ų37.316%0.16119%0.188CC..EExtended strand (participates in β ladder)trans-126.8140.9166.1-56.10000112.6Q34 I100 R101S28-Q34 CarbonylContact C-O 3.58Å; S28-Q34 VanDerWaalsContact CA-O 3.27Å; S28-Q34 WeakPolarHBondContact CA-O 3.33Å; S28-I100 CarbonylContact O-C 3.5Å; S28-I100 WeakPolarHBondContact O-CA 3.23Å; S28-R101 PolarHBondContact N-O 3.18Å; S28-R101 PolarHBondContact O-N 3.05Å
29V98.4Very high94.9Very high0 Ų035 Ų350%018%0.178CC..EExtended strand (participates in β ladder)trans-122.4135.8-178.7-1710000109.9I27 Q34 L36 F49 Y67 D98 T99 I100 F112I27-V29 HydrophobicContact CD1-CG2 3.87Å; I27-V29 HydrophobicContact CG1-CG2 4.49Å; V29-Q34 PolarHBondContact N-O 3.39Å; V29-Q34 WeakPolarHBondContact O-CB 3.46Å; V29-Q34 PolarHBondContact O-N 3.18Å; V29-L36 HydrophobicContact CB-CD1 4.39Å; V29-L36 HydrophobicContact CG2-CD1 3.74Å; V29-F49 HydrophobicContact CG1-CE2 4.29Å; V29-F49 HydrophobicContact CG2-CD2 4.15Å; V29-F49 HydrophobicContact CG2-CE2 3.66Å; V29-F49 HydrophobicContact CG2-CZ 4.02Å; V29-Y67 HydrophobicContact CB-CD2 4.04Å; V29-Y67 HydrophobicContact CB-CE2 4.18Å; V29-Y67 HydrophobicContact CG1-CD2 3.75Å; V29-Y67 HydrophobicContact CG1-CE2 3.52Å; V29-D98 HydrophobicContact CG1-CB 4.22Å; V29-T99 WeakPolarHBondContact CA-O 3.42Å; V29-I100 HydrophobicContact CG1-CG1 4.14Å; V29-I100 HydrophobicContact CG2-CG1 4.17Å; V29-F112 HydrophobicContact CG1-CE1 4.12Å; V29-F112 HydrophobicContact CG1-CZ 4.05Å
30G98.4Very high95.6Very high0 Ų030 Ų300%016%0.155CC..THydrogen-bonded Turntrans83.3-176.8175.400000116P32 P33 S72 D98 T99 R101G30-P32 CarbonylContact C-O 3.59Å; G30-P32 CarbonylContact O-C 3.53Å; G30-P33 WeakPolarHBondContact O-CA 3.41Å; G30-S72 WeakPolarHBondContact CA-OG 3.47Å; G30-D98 WeakPolarHBondContact CA-OD1 3.25Å; G30-D98 VanDerWaalsContact CA-OD2 3.25Å; G30-D98 WeakPolarHBondContact CA-OD2 3.41Å; G30-T99 PolarHBondContact N-O 2.73Å; G30-R101 PolarHBondContact O-NH1 3.44Å
31T98.3Very high96.2Very high38 Ų3829 Ų2923%0.23315%0.15CC..THydrogen-bonded Turntrans-138113.1-179.9-55.20000110.3S72 S73 T74 R101T31-S72 PolarHBondContact N-OG 3.28Å; T31-S72 CarbonylContact O-C 3.6Å; T31-S72 VanDerWaalsContact O-CA 3.32Å; T31-S72 WeakPolarHBondContact O-CA 3.45Å; T31-S73 PolarHBondContact O-N 2.75Å; T31-S73 PolarHBondContact O-OG 3.07Å; T31-T74 WeakPolarHBondContact CB-OG1 3.22Å; T31-T74 PolarHBondContact N-OG1 2.83Å; T31-T74 VanDerWaalsContact OG1-CG2 3.31Å; T31-T74 WeakPolarHBondContact OG1-CG2 3.39Å; T31-T74 PolarHBondContact OG1-OG1 2.79Å; T31-R101 PolarHBondContact OG1-NH2 3.42Å
32P97.9Very high96.8Very high90 Ų9027.7 Ų27.758%0.58414%0.144SC*.THydrogen-bonded Turncis-60.1153.4-1.626.5-37.3000113.1G30 Q34 K71G30-P32 CarbonylContact C-O 3.59Å; G30-P32 CarbonylContact O-C 3.53Å; P32-Q34 PolarHBondContact O-N 3.32Å; P32-K71 WeakPolarHBondContact CD-O 3.33Å
33P97.5Very high97Very high75 Ų7527.5 Ų27.549%0.48715%0.15SC..THydrogen-bonded Turntrans-64.2129-176.3-17.729.8000112.6G30G30-P33 WeakPolarHBondContact O-CA 3.41Å
34Q97.3Very high97Very high29 Ų2927.7 Ų27.714%0.13615%0.152CC..EExtended strand (participates in β ladder)trans-103.4118.1175-56.6176.551.600109.3S28 V29 P32 D68S28-Q34 CarbonylContact C-O 3.58Å; S28-Q34 VanDerWaalsContact CA-O 3.27Å; S28-Q34 WeakPolarHBondContact CA-O 3.33Å; V29-Q34 PolarHBondContact N-O 3.39Å; V29-Q34 WeakPolarHBondContact O-CB 3.46Å; V29-Q34 PolarHBondContact O-N 3.18Å; P32-Q34 PolarHBondContact O-N 3.32Å; Q34-D68 PolarHBondContact NE2-O 3.44Å; Q34-D68 PolarHBondContact OE1-O 2.96Å
35K96.6Very high97Very high122 Ų12228.2 Ų28.253%0.5316%0.156SC..EExtended strand (participates in β ladder)trans-75.1130.4-177.3-71.8179.1164.5-140.90111.8E26 I27E26-K35 HydrophobicContact CG-CB 4.42Å; E26-K35 VanDerWaalsContact OE1-CD 3.3Å; E26-K35 WeakPolarHBondContact OE1-CD 3.36Å; E26-K35 WeakPolarHBondContact OE1-CE 3.07Å; E26-K35 IonicContact OE1-NZ 3.24Å; E26-K35 PolarHBondContact OE1-NZ 2.84Å; I27-K35 WeakPolarHBondContact O-CA 3.2Å
36L96Very high97.1Very high3 Ų329 Ų292%0.01616%0.16CC..EExtended strand (participates in β ladder)trans-134.2144.1176.1-61.3175.7000109.8I27 V29 V38 F49 R65 D129I27-L36 HydrophobicContact CG1-CB 4.27Å; I27-L36 PolarHBondContact N-O 2.88Å; I27-L36 PolarHBondContact O-N 3.43Å; V29-L36 HydrophobicContact CB-CD1 4.39Å; V29-L36 HydrophobicContact CG2-CD1 3.74Å; L36-V38 HydrophobicContact CB-CG1 4.5Å; L36-F49 HydrophobicContact CD1-CB 3.91Å; L36-F49 HydrophobicContact CD1-CD1 3.84Å; L36-F49 HydrophobicContact CD1-CD2 3.99Å; L36-F49 HydrophobicContact CD1-CE1 4.47Å; L36-F49 HydrophobicContact CD1-CG 3.61Å; L36-R65 WeakPolarHBondContact CD2-O 3.23Å; L36-D129 HydrophobicContact CB-CB 4.44Å; L36-D129 HydrophobicContact CD2-CB 4.21Å
37R95.8Very high97.2Very high60 Ų6025.9 Ų25.923%0.22615%0.146CC..EExtended strand (participates in β ladder)trans-87.7133.8170.2-63.5166.9-65169.86.2109Y24 G25 K127 D129 G130Y24-R37 HydrophobicContact CD2-CB 3.89Å; Y24-R37 HydrophobicContact CD2-CG 4.2Å; Y24-R37 HydrophobicContact CE2-CB 4.31Å; Y24-R37 HydrophobicContact CE2-CG 4.2Å; G25-R37 CarbonylContact O-C 3.54Å; G25-R37 VanDerWaalsContact O-CA 3.27Å; G25-R37 WeakPolarHBondContact O-CA 3.49Å; R37-K127 WeakPolarHBondContact CD-O 3.4Å; R37-K127 PolarHBondContact NE-O 3.01Å; R37-K127 PolarHBondContact NH1-O 2.94Å; R37-D129 WeakPolarHBondContact CB-OD2 3.28Å; R37-D129 IonicContact CZ-OD1 3.86Å; R37-D129 IonicContact CZ-OD2 2.71Å; R37-D129 PolarHBondContact N-OD2 3.42Å; R37-D129 IonicContact NE-OD1 3.06Å; R37-D129 PolarHBondContact NE-OD1 2.86Å; R37-D129 IonicContact NE-OD2 3.74Å; R37-D129 PolarHBondContact NE-OD2 3.15Å; R37-D129 IonicContact NH2-OD1 3.96Å; R37-D129 PolarHBondContact NH2-OD1 3.08Å; R37-D129 IonicContact NH2-OD2 2.63Å; R37-D129 WeakPolarHBondContact O-CA 3.47Å; R37-D129 PolarHBondContact O-N 2.92Å; R37-G130 PolarHBondContact O-N 3.07Å
38V96.6Very high97.1Very high0 Ų026 Ų260%015%0.146CC..EExtended strand (participates in β ladder)trans-135.6136.8-175.2-64.20000112.6Y24 G25 I27 L36 F40 F49 G130 I132Y24-V38 CarbonylContact C-O 3.59Å; Y24-V38 WeakPolarHBondContact CA-O 3.38Å; Y24-V38 WeakPolarHBondContact CB-O 3.04Å; G25-V38 PolarHBondContact N-O 3.36Å; G25-V38 PolarHBondContact O-N 2.96Å; I27-V38 HydrophobicContact CB-CG2 4.34Å; I27-V38 HydrophobicContact CD1-CB 4.46Å; I27-V38 HydrophobicContact CD1-CG1 3.55Å; I27-V38 HydrophobicContact CD1-CG2 4.12Å; I27-V38 HydrophobicContact CG1-CB 4.47Å; I27-V38 HydrophobicContact CG1-CG1 3.7Å; I27-V38 HydrophobicContact CG1-CG2 3.9Å; I27-V38 HydrophobicContact CG2-CG2 3.59Å; L36-V38 HydrophobicContact CB-CG1 4.5Å; V38-F40 HydrophobicContact CG2-CD2 4.39Å; V38-F40 HydrophobicContact CG2-CE1 4.22Å; V38-F40 HydrophobicContact CG2-CE2 3.82Å; V38-F40 HydrophobicContact CG2-CZ 3.73Å; V38-F49 HydrophobicContact CG1-CD1 4.09Å; V38-F49 HydrophobicContact CG1-CE1 3.61Å; V38-G130 VanDerWaalsContact CA-O 3.32Å; V38-G130 WeakPolarHBondContact CA-O 3.4Å; V38-I132 HydrophobicContact CB-CD1 4.46Å; V38-I132 HydrophobicContact CB-CG1 4.42Å; V38-I132 HydrophobicContact CG2-CD1 3.96Å; V38-I132 HydrophobicContact CG2-CG1 4.42Å
39L96.4Very high97Very high9 Ų925 Ų255%0.04714%0.139CC..EExtended strand (participates in β ladder)trans-80.3124.5164.3178.467.2000108.2Y23 D41 Y128 G130 I131 I132Y23-L39 WeakPolarHBondContact O-CD1 3.31Å; L39-D41 HydrophobicContact CG-CB 4.36Å; L39-Y128 HydrophobicContact CB-CD1 3.95Å; L39-Y128 HydrophobicContact CB-CD2 4.03Å; L39-Y128 HydrophobicContact CB-CE1 4.04Å; L39-Y128 HydrophobicContact CB-CE2 4.1Å; L39-Y128 HydrophobicContact CB-CG 3.94Å; L39-Y128 HydrophobicContact CD2-CE1 3.88Å; L39-Y128 HydrophobicContact CD2-CE2 4.28Å; L39-Y128 HydrophobicContact CG-CE1 4.46Å; L39-G130 PolarHBondContact N-O 2.73Å; L39-I131 HydrophobicContact CB-CG1 4.28Å; L39-I131 HydrophobicContact CD2-CD1 4.32Å; L39-I131 HydrophobicContact CD2-CG1 4.35Å; L39-I131 CarbonylContact O-C 3.35Å; L39-I131 WeakPolarHBondContact O-CA 3.36Å; L39-I132 PolarHBondContact O-N 2.93Å
40F98.2Very high96.7Very high3 Ų325 Ų251%0.01314%0.139CC..EExtended strand (participates in β ladder)trans-89.6107.1171.8-67.2-82.4000107.8E13 L15 I27 V38 I102 I132 M134 F164 L178 T227E13-F40 HydrophobicContact CG-CE2 4.01Å; E13-F40 HydrophobicContact CG-CZ 4.23Å; L15-F40 HydrophobicContact CD2-CD2 3.91Å; L15-F40 HydrophobicContact CD2-CE2 4.12Å; I27-F40 HydrophobicContact CG2-CZ 3.92Å; V38-F40 HydrophobicContact CG2-CD2 4.39Å; V38-F40 HydrophobicContact CG2-CE1 4.22Å; V38-F40 HydrophobicContact CG2-CE2 3.82Å; V38-F40 HydrophobicContact CG2-CZ 3.73Å; F40-I102 HydrophobicContact CE1-CD1 4.01Å; F40-I102 HydrophobicContact CZ-CD1 4.45Å; F40-I102 HydrophobicContact CZ-CG2 4.5Å; F40-I132 HydrophobicContact CD1-CB 3.94Å; F40-I132 HydrophobicContact CD1-CD1 4.08Å; F40-I132 HydrophobicContact CD1-CG2 4.1Å; F40-I132 HydrophobicContact CE1-CB 4.3Å; F40-I132 HydrophobicContact CE1-CD1 3.53Å; F40-I132 HydrophobicContact CE1-CG1 4.45Å; F40-I132 HydrophobicContact CE1-CG2 4.44Å; F40-I132 HydrophobicContact CZ-CD1 4.26Å; F40-M134 HydrophobicContact CB-CG 4.45Å; F40-M134 HydrophobicContact CB-SD 3.71Å; F40-M134 HydrophobicContact CD1-SD 3.76Å; F40-M134 HydrophobicContact CG-SD 4.15Å; F40-F164 HydrophobicContact CB-CE1 4.08Å; F40-F164 HydrophobicContact CB-CZ 3.73Å; F40-L178 HydrophobicContact CB-CD2 4.35Å; F40-L178 HydrophobicContact CD1-CD2 3.63Å; F40-L178 HydrophobicContact CD2-CD2 3.89Å; F40-L178 HydrophobicContact CE1-CD2 3.74Å; F40-L178 HydrophobicContact CE2-CD2 3.99Å; F40-L178 HydrophobicContact CG-CD2 3.7Å; F40-L178 HydrophobicContact CZ-CD2 3.92Å; F40-T227 WeakPolarHBondContact O-CB 3.33Å; F40-T227 PolarHBondContact O-OG1 2.98Å
41D97.8Very high96.4Very high8 Ų825 Ų254%0.04314%0.139CC..EExtended strand (participates in β ladder)trans-113.7108.9-162.11748.2000111.2L39 G43 S44 I131 I132 G133 M134 D226 T227L39-D41 HydrophobicContact CG-CB 4.36Å; D41-G43 VanDerWaalsContact C-N 3.28Å; D41-G43 PolarHBondContact O-N 3.26Å; D41-G43 VanDerWaalsContact OD1-CA 3.31Å; D41-G43 WeakPolarHBondContact OD1-CA 3.05Å; D41-G43 PolarHBondContact OD1-N 2.68Å; D41-S44 PolarHBondContact O-N 3.29Å; D41-S44 PolarHBondContact OD1-N 3.18Å; D41-S44 WeakPolarHBondContact OD2-CB 3.5Å; D41-S44 PolarHBondContact OD2-OG 3.32Å; D41-I131 HydrophobicContact CB-CG2 3.52Å; D41-I132 PolarHBondContact N-O 2.74Å; D41-G133 CarbonylContact O-C 3.53Å; D41-M134 PolarHBondContact O-N 3.11Å; D41-D226 VanDerWaalsContact OD1-OD1 3.06Å; D41-T227 WeakPolarHBondContact CA-OG1 3.36Å
42T98Very high96Very high0 Ų025.8 Ų25.80%014%0.138CC..THydrogen-bonded Turntrans-78.3-11.9178.558.30000113.7M134 F162 F164 I225 D226 T227 F325T42-M134 HydrophobicContact CG2-CB 3.95Å; T42-F162 HydrophobicContact CG2-CE2 3.82Å; T42-F162 HydrophobicContact CG2-CZ 4.27Å; T42-F164 HydrophobicContact CG2-CE2 4.23Å; T42-I225 PolarHBondContact OG1-O 2.87Å; T42-D226 VanDerWaalsContact OG1-CA 3.29Å; T42-D226 WeakPolarHBondContact OG1-CA 3.37Å; T42-T227 HydrophobicContact CG2-CG2 4.09Å; T42-T227 PolarHBondContact N-OG1 3.02Å; T42-T227 PolarHBondContact OG1-N 3.01Å; T42-T227 PolarHBondContact OG1-OG1 2.79Å; T42-F325 HydrophobicContact CG2-CD1 4.28Å; T42-F325 HydrophobicContact CG2-CD2 4.37Å; T42-F325 HydrophobicContact CG2-CE1 3.81Å; T42-F325 HydrophobicContact CG2-CE2 3.93Å; T42-F325 HydrophobicContact CG2-CZ 3.62Å
43G95.5Very high95.4Very high24 Ų2426.2 Ų26.225%0.24713%0.127CC..THydrogen-bonded Turntrans-78.7-17.717200000113.9D41 D226D41-G43 VanDerWaalsContact C-N 3.28Å; D41-G43 PolarHBondContact O-N 3.26Å; D41-G43 VanDerWaalsContact OD1-CA 3.31Å; D41-G43 WeakPolarHBondContact OD1-CA 3.05Å; D41-G43 PolarHBondContact OD1-N 2.68Å; G43-D226 WeakPolarHBondContact CA-OD1 3.44Å; G43-D226 PolarHBondContact N-OD1 2.85Å
44S95.4Very high94.6Very high11 Ų1123.5 Ų23.58%0.07711%0.11CC..  trans-123.6163.3-178.974.80000115.3D41 G133 M134 S135D41-S44 PolarHBondContact O-N 3.29Å; D41-S44 PolarHBondContact OD1-N 3.18Å; D41-S44 WeakPolarHBondContact OD2-CB 3.5Å; D41-S44 PolarHBondContact OD2-OG 3.32Å; S44-G133 CarbonylContact O-C 3.58Å; S44-G133 WeakPolarHBondContact O-CA 3.39Å; S44-M134 PolarHBondContact O-N 3.5Å; S44-S135 VanDerWaalsContact O-CB 3.28Å; S44-S135 WeakPolarHBondContact O-CB 3Å; S44-S135 PolarHBondContact O-N 3.46Å
45I96.1Very high93.4Very high29 Ų2929.1 Ų29.115%0.14913%0.13CC..  trans-102.2-44-171.9-62.5148.8000111.3S135 R137 P146I45-S135 WeakPolarHBondContact CG1-OG 3.33Å; I45-R137 HydrophobicContact CD1-CB 4.5Å; I45-R137 HydrophobicContact CG1-CB 4.07Å; I45-R137 HydrophobicContact CG2-CB 4.28Å; I45-P146 HydrophobicContact CG2-CB 4.42Å; I45-P146 HydrophobicContact CG2-CG 3.71Å
46D97.1Very high92Very high17 Ų1730.3 Ų30.39%0.09114%0.136CC..  trans-89.4146.7-167.7-60.6-59.5000111.9F82 W95 G133 S140D46-F82 HydrophobicContact CB-CE2 3.89Å; D46-F82 HydrophobicContact CB-CZ 3.6Å; D46-W95 HydrophobicContact CB-CH2 4.08Å; D46-W95 WeakPolarHBondContact OD1-CH2 3.32Å; D46-G133 PolarHBondContact O-N 2.89Å; D46-G133 VanDerWaalsContact O-N 3.09Å; D46-S140 WeakPolarHBondContact OD1-CB 3.43Å
47T97.8Very high90.6Very high2 Ų235 Ų351%0.01216%0.16CC..EExtended strand (participates in β ladder)trans-91.6134.9169.4-61.70000108.9F49 I100 F112 A113 I131 I132 M147T47-F49 HydrophobicContact CG2-CE1 3.9Å; T47-F49 HydrophobicContact CG2-CE2 3.98Å; T47-F49 HydrophobicContact CG2-CZ 3.42Å; T47-F49 VanDerWaalsContact CG2-CZ 3.42Å; T47-I100 HydrophobicContact CG2-CD1 4.37Å; T47-F112 HydrophobicContact CG2-CB 3.7Å; T47-F112 CarbonylContact O-C 3.59Å; T47-F112 WeakPolarHBondContact O-CA 3.39Å; T47-F112 WeakPolarHBondContact O-CB 3.38Å; T47-A113 PolarHBondContact O-N 2.77Å; T47-I131 CarbonylContact C-O 3.53Å; T47-I131 VanDerWaalsContact CA-O 3.32Å; T47-I131 WeakPolarHBondContact CA-O 3.19Å; T47-I132 HydrophobicContact CG2-CG1 3.83Å; T47-M147 HydrophobicContact CG2-CE 4.15Å
48W96.2Very high89.5Confident4 Ų434 Ų342%0.01516%0.159CC..EExtended strand (participates in β ladder)trans-146.5150173.665-101.7000112.3Y86 A113 M115 I118 G130 I131W48-Y86 HydrophobicContact CZ2-CE2 4.32Å; W48-Y86 AromaticContact NE1-CE2 3.28Å; W48-Y86 VanDerWaalsContact NE1-CE2 3.28Å; W48-Y86 AromaticContact NE1-CZ 3.43Å; W48-Y86 PolarHBondContact NE1-OH 3.19Å; W48-A113 CarbonylContact C-O 3.56Å; W48-A113 WeakPolarHBondContact CA-O 3.46Å; W48-A113 HydrophobicContact CB-CB 3.9Å; W48-A113 WeakPolarHBondContact CB-O 3.41Å; W48-M115 HydrophobicContact CB-CE 3.53Å; W48-M115 HydrophobicContact CB-CG 3.96Å; W48-M115 HydrophobicContact CD2-CE 3.89Å; W48-M115 HydrophobicContact CD2-CG 3.78Å; W48-M115 HydrophobicContact CE3-CB 4.26Å; W48-M115 HydrophobicContact CE3-CE 4.5Å; W48-M115 HydrophobicContact CE3-CG 3.47Å; W48-M115 VanDerWaalsContact CE3-CG 3.47Å; W48-M115 HydrophobicContact CG-CE 3.44Å; W48-M115 VanDerWaalsContact CG-CE 3.44Å; W48-M115 HydrophobicContact CG-CG 4.02Å; W48-M115 HydrophobicContact CZ3-CG 4.24Å; W48-I118 HydrophobicContact CE3-CD1 4.14Å; W48-I118 HydrophobicContact CH2-CD1 3.72Å; W48-I118 HydrophobicContact CZ3-CD1 3.26Å; W48-I118 HydrophobicContact CZ3-CG1 4.44Å; W48-G130 CarbonylContact O-C 3.53Å; W48-G130 VanDerWaalsContact O-CA 3.24Å; W48-G130 WeakPolarHBondContact O-CA 3.16Å; W48-I131 HydrophobicContact CD2-CB 4.33Å; W48-I131 HydrophobicContact CH2-CD1 4.36Å; W48-I131 HydrophobicContact CH2-CG1 4.1Å; W48-I131 HydrophobicContact CZ2-CB 4.02Å; W48-I131 HydrophobicContact CZ2-CD1 3.36Å; W48-I131 HydrophobicContact CZ2-CG1 3.4Å; W48-I131 VanDerWaalsContact CZ2-CG1 3.4Å; W48-I131 PolarHBondContact N-O 2.83Å; W48-I131 PolarHBondContact O-N 3.02Å
49F95.1Very high88.1Confident1 Ų138.7 Ų38.70%0.00419%0.188CC..EExtended strand (participates in β ladder)trans-129.5145.9175.4-52.7-51.2000110.1I27 V29 L36 V38 T47 S51 I100 F112 A113 M115 I132I27-F49 HydrophobicContact CD1-CE1 3.75Å; I27-F49 HydrophobicContact CD1-CZ 3.64Å; V29-F49 HydrophobicContact CG1-CE2 4.29Å; V29-F49 HydrophobicContact CG2-CD2 4.15Å; V29-F49 HydrophobicContact CG2-CE2 3.66Å; V29-F49 HydrophobicContact CG2-CZ 4.02Å; L36-F49 HydrophobicContact CD1-CB 3.91Å; L36-F49 HydrophobicContact CD1-CD1 3.84Å; L36-F49 HydrophobicContact CD1-CD2 3.99Å; L36-F49 HydrophobicContact CD1-CE1 4.47Å; L36-F49 HydrophobicContact CD1-CG 3.61Å; V38-F49 HydrophobicContact CG1-CD1 4.09Å; V38-F49 HydrophobicContact CG1-CE1 3.61Å; T47-F49 HydrophobicContact CG2-CE1 3.9Å; T47-F49 HydrophobicContact CG2-CE2 3.98Å; T47-F49 HydrophobicContact CG2-CZ 3.42Å; T47-F49 VanDerWaalsContact CG2-CZ 3.42Å; F49-S51 PolarHBondContact O-N 2.81Å; F49-I100 HydrophobicContact CE2-CD1 3.72Å; F49-I100 HydrophobicContact CZ-CD1 3.77Å; F49-F112 HydrophobicContact CD2-CB 4.44Å; F49-F112 AromaticContact CD2-CD2 3.39Å; F49-F112 HydrophobicContact CD2-CD2 3.39Å; F49-F112 AromaticContact CD2-CE2 3.67Å; F49-F112 HydrophobicContact CD2-CE2 3.67Å; F49-F112 AromaticContact CD2-CG 3.87Å; F49-F112 HydrophobicContact CD2-CG 3.87Å; F49-F112 HydrophobicContact CD2-CZ 4.36Å; F49-F112 HydrophobicContact CE2-CB 4.12Å; F49-F112 HydrophobicContact CE2-CD1 4.12Å; F49-F112 AromaticContact CE2-CD2 3.76Å; F49-F112 HydrophobicContact CE2-CD2 3.76Å; F49-F112 HydrophobicContact CE2-CE2 4.2Å; F49-F112 AromaticContact CE2-CG 3.72Å; F49-F112 HydrophobicContact CE2-CG 3.72Å; F49-F112 HydrophobicContact CG-CD2 4.4Å; F49-A113 PolarHBondContact N-O 2.88Å; F49-M115 PolarHBondContact O-N 3.04Å; F49-I132 HydrophobicContact CE1-CG1 4.43Å
50A92.1Very high86.9Confident1 Ų142.1 Ų42.11%0.00820%0.203CC..EExtended strand (participates in β ladder)trans-58.5130.2168.300000110.5F66 Y67 I118 D129A50-F66 HydrophobicContact CB-CD1 3.26Å; A50-F66 HydrophobicContact CB-CD2 4.2Å; A50-F66 HydrophobicContact CB-CE1 3.26Å; A50-F66 HydrophobicContact CB-CE2 4.15Å; A50-F66 HydrophobicContact CB-CG 3.78Å; A50-F66 HydrophobicContact CB-CZ 3.73Å; A50-F66 WeakPolarHBondContact O-CA 3.16Å; A50-F66 WeakPolarHBondContact O-CB 3.2Å; A50-Y67 PolarHBondContact O-N 3.31Å; A50-I118 HydrophobicContact CB-CD1 3.92Å; A50-D129 WeakPolarHBondContact CB-O 3.44Å; A50-D129 PolarHBondContact N-O 3.17Å
51S92.1Very high85.7Confident0 Ų042 Ų420%020%0.202CC..BIsolated β-bridgetrans-98.7139.4-172.3-179.70000112.3F49 R53 C54 F66 E114 M115F49-S51 PolarHBondContact O-N 2.81Å; S51-R53 PolarHBondContact O-N 3.16Å; S51-R53 WeakPolarHBondContact OG-CB 3.35Å; S51-R53 PolarHBondContact OG-N 2.89Å; S51-C54 PolarHBondContact O-N 3.13Å; S51-F66 VanDerWaalsContact O-CD2 3.22Å; S51-F66 WeakPolarHBondContact O-CD2 3.41Å; S51-E114 WeakPolarHBondContact CB-OE2 3.44Å; S51-E114 PolarHBondContact OG-OE2 3.23Å; S51-M115 WeakPolarHBondContact CB-O 3.47Å; S51-M115 PolarHBondContact N-O 3.49Å
52R89.5Confident84.3Confident54 Ų5449.3 Ų49.320%0.20423%0.229CC..THydrogen-bonded Turntrans-66.3-15.8167.8-164.863.463174.92.1112.3C54 C61 F64 F66 Y67 D68R52-C54 PolarHBondContact O-N 3.39Å; R52-C61 PolarHBondContact NH1-O 3.48Å; R52-F64 PolarHBondContact NH1-O 3.32Å; R52-F64 PolarHBondContact NH2-O 2.9Å; R52-F66 HydrophobicContact CB-CB 4.47Å; R52-F66 PolarHBondContact NH2-O 2.84Å; R52-Y67 VanDerWaalsContact CB-O 3.25Å; R52-Y67 WeakPolarHBondContact CB-O 3.34Å; R52-Y67 PolarHBondContact N-O 3.04Å; R52-D68 HydrophobicContact CB-CB 3.97Å; R52-D68 HydrophobicContact CG-CB 4.28Å
53R86.2Confident82.9Confident98 Ų9855 Ų5537%0.3726%0.257SS..THydrogen-bonded Turntrans-87.937.5175.1-55.8-171.9-177175.82.6112.5S51 S69 Y75 F94 R116S51-R53 PolarHBondContact O-N 3.16Å; S51-R53 WeakPolarHBondContact OG-CB 3.35Å; S51-R53 PolarHBondContact OG-N 2.89Å; R53-S69 PolarHBondContact NE-OG 3Å; R53-S69 VanDerWaalsContact NE-OG 3.12Å; R53-S69 PolarHBondContact NH2-OG 3.36Å; R53-Y75 PolarHBondContact NH1-OH 3.4Å; R53-F94 HydrophobicContact CB-CE1 4.45Å; R53-F94 HydrophobicContact CB-CZ 4.43Å; R53-R116 WeakPolarHBondContact O-CD 3.36Å; R53-R116 WeakPolarHBondContact O-CG 3.5Å; R53-R116 PolarHBondContact O-NE 2.72Å
54C80.2Confident81.9Confident19 Ų1957 Ų5713%0.12826%0.259CS..SBendtrans-71.1177.9170.561.50000111.8S51 R52 C61S51-C54 PolarHBondContact O-N 3.13Å; R52-C54 PolarHBondContact O-N 3.39Å; C54-C61 HydrophobicContact CB-CB 3.63Å; C54-C61 WeakPolarHBondContact CB-SG 3.41Å; C54-C61 WeakPolarHBondContact SG-CB 3.37Å; C54-C61 CovalentContact SG-SG 1.96Å; C54-C61 PolarHBondContact SG-SG 3.45Å
55W71.8Confident81.3Confident147 Ų14762.9 Ų62.956%0.55728%0.28SS*.  trans-70.9137.7175.7-168.357000111.6L57 D58W55-L57 HydrophobicContact CD2-CB 4.14Å; W55-L57 HydrophobicContact CE3-CB 3.63Å; W55-L57 HydrophobicContact CH2-CB 3.78Å; W55-L57 HydrophobicContact CH2-CD1 3.3Å; W55-L57 HydrophobicContact CH2-CG 4.02Å; W55-L57 HydrophobicContact CZ2-CB 4.26Å; W55-L57 HydrophobicContact CZ2-CD1 3.55Å; W55-L57 HydrophobicContact CZ2-CG 4.21Å; W55-L57 HydrophobicContact CZ3-CB 3.43Å; W55-L57 VanDerWaalsContact CZ3-CB 3.43Å; W55-L57 HydrophobicContact CZ3-CD1 3.92Å; W55-L57 HydrophobicContact CZ3-CG 4.2Å; W55-L57 PolarHBondContact O-N 3.26Å; W55-L57 VanDerWaalsContact O-N 3.12Å; W55-D58 WeakPolarHBondContact O-CB 3.39Å; W55-D58 PolarHBondContact O-N 2.63Å
56F67.4Low81.1Confident146 Ų14661.8 Ų61.864%0.6427%0.274SS*.THydrogen-bonded Turntrans-64.9-21.2-16971.3-83.3000114.7
57L67.8Low81Confident102 Ų10261 Ų6153%0.53427%0.27SS..THydrogen-bonded Turntrans-88-5.8176.1-67.7174.8000113.1W55 V59W55-L57 HydrophobicContact CD2-CB 4.14Å; W55-L57 HydrophobicContact CE3-CB 3.63Å; W55-L57 HydrophobicContact CH2-CB 3.78Å; W55-L57 HydrophobicContact CH2-CD1 3.3Å; W55-L57 HydrophobicContact CH2-CG 4.02Å; W55-L57 HydrophobicContact CZ2-CB 4.26Å; W55-L57 HydrophobicContact CZ2-CD1 3.55Å; W55-L57 HydrophobicContact CZ2-CG 4.21Å; W55-L57 HydrophobicContact CZ3-CB 3.43Å; W55-L57 VanDerWaalsContact CZ3-CB 3.43Å; W55-L57 HydrophobicContact CZ3-CD1 3.92Å; W55-L57 HydrophobicContact CZ3-CG 4.2Å; W55-L57 PolarHBondContact O-N 3.26Å; W55-L57 VanDerWaalsContact O-N 3.12Å; L57-V59 VanDerWaalsContact C-N 3.31Å; L57-V59 PolarHBondContact O-N 2.85Å
58D71.6Confident80.8Confident39 Ų3961.7 Ų61.721%0.20927%0.273CS..  trans-75.686.2169.9-81.7-43000109.8W55 F60 C61 F119W55-D58 WeakPolarHBondContact O-CB 3.39Å; W55-D58 PolarHBondContact O-N 2.63Å; D58-F60 PolarHBondContact O-N 2.95Å; D58-F60 VanDerWaalsContact O-N 3.08Å; D58-C61 HydrophobicContact CB-CB 4.14Å; D58-C61 WeakPolarHBondContact O-CB 3.4Å; D58-C61 PolarHBondContact O-N 3.25Å; D58-F119 HydrophobicContact CB-CD2 3.89Å; D58-F119 HydrophobicContact CB-CE2 3.59Å; D58-F119 HydrophobicContact CB-CZ 4.49Å; D58-F119 VanDerWaalsContact CG-CD2 3.44Å; D58-F119 WeakPolarHBondContact OD2-CD2 3.39Å
59V68.6Low80.9Confident99 Ų9961.6 Ų61.660%0.627%0.273SS*.Hα-helixtrans-50.2-36.7176.1177.50000111.2L57 C61 W62L57-V59 VanDerWaalsContact C-N 3.31Å; L57-V59 PolarHBondContact O-N 2.85Å; V59-C61 PolarHBondContact O-N 3.31Å; V59-W62 PolarHBondContact O-N 3.27Å; V59-W62 VanDerWaalsContact O-N 3.1Å
60F70.3Confident80.9Confident81 Ų8166.1 Ų66.136%0.35531%0.305SS..Hα-helixtrans-57.7-34.2176.8-68.1-70.5000113.4D58 W62 M63 F64 F119 Y124D58-F60 PolarHBondContact O-N 2.95Å; D58-F60 VanDerWaalsContact O-N 3.08Å; F60-W62 PolarHBondContact O-N 3.23Å; F60-M63 HydrophobicContact CD1-CE 3.25Å; F60-M63 HydrophobicContact CE1-CE 3.59Å; F60-M63 HydrophobicContact CG-CE 4.2Å; F60-M63 PolarHBondContact O-N 3.36Å; F60-F64 HydrophobicContact CB-CD2 4.12Å; F60-F64 HydrophobicContact CB-CE2 3.86Å; F60-F64 AromaticContact CD1-CE2 3.85Å; F60-F64 HydrophobicContact CD1-CE2 3.85Å; F60-F64 HydrophobicContact CD1-CZ 4.47Å; F60-F64 HydrophobicContact CG-CE2 4.28Å; F60-F64 WeakPolarHBondContact O-CD2 3.31Å; F60-F64 PolarHBondContact O-N 2.64Å; F60-F119 HydrophobicContact CB-CD1 3.81Å; F60-F119 HydrophobicContact CB-CE1 3.39Å; F60-F119 HydrophobicContact CB-CE2 4.45Å; F60-F119 HydrophobicContact CB-CG 4.5Å; F60-F119 HydrophobicContact CB-CZ 3.73Å; F60-F119 HydrophobicContact CG-CE1 4.47Å; F60-Y124 HydrophobicContact CB-CE1 4.39Å; F60-Y124 AromaticContact CD1-CE1 3.67Å; F60-Y124 HydrophobicContact CD1-CE1 3.67Å; F60-Y124 HydrophobicContact CD2-CE1 4.02Å; F60-Y124 AromaticContact CD2-CZ 3.95Å; F60-Y124 WeakPolarHBondContact CD2-OH 3.3Å; F60-Y124 AromaticContact CE1-CE1 3.88Å; F60-Y124 HydrophobicContact CE1-CE1 3.88Å; F60-Y124 HydrophobicContact CE2-CE1 4.18Å; F60-Y124 AromaticContact CE2-CZ 3.99Å; F60-Y124 VanDerWaalsContact CE2-OH 3.24Å; F60-Y124 WeakPolarHBondContact CE2-OH 3.23Å; F60-Y124 AromaticContact CG-CE1 3.75Å; F60-Y124 HydrophobicContact CG-CE1 3.75Å; F60-Y124 HydrophobicContact CZ-CE1 4.13Å
61C73.8Confident81.2Confident0 Ų071.9 Ų71.90%033%0.33CS..Hα-helixtrans-63-25.7178.7-178.10000114.2R52 C54 D58 V59 F66 F119R52-C61 PolarHBondContact NH1-O 3.48Å; C54-C61 HydrophobicContact CB-CB 3.63Å; C54-C61 WeakPolarHBondContact CB-SG 3.41Å; C54-C61 WeakPolarHBondContact SG-CB 3.37Å; C54-C61 CovalentContact SG-SG 1.96Å; C54-C61 PolarHBondContact SG-SG 3.45Å; D58-C61 HydrophobicContact CB-CB 4.14Å; D58-C61 WeakPolarHBondContact O-CB 3.4Å; D58-C61 PolarHBondContact O-N 3.25Å; V59-C61 PolarHBondContact O-N 3.31Å; C61-F66 HydrophobicContact CB-CD2 4.28Å; C61-F66 HydrophobicContact CB-CE2 3.86Å; C61-F66 VanDerWaalsContact SG-CD2 3.52Å; C61-F119 HydrophobicContact CB-CE2 4Å; C61-F119 HydrophobicContact CB-CZ 3.86Å
62W67.1Low81.5Confident162 Ų16272.5 Ų72.561%0.61433%0.334SS*.Hα-helixtrans-83.7-21.3175.4-61.9103.9000112.6V59 F60V59-W62 PolarHBondContact O-N 3.27Å; V59-W62 VanDerWaalsContact O-N 3.1Å; F60-W62 PolarHBondContact O-N 3.23Å
63M69.2Low81.9Confident120 Ų12074.7 Ų74.759%0.59136%0.358SS*.Hα-helixtrans-86.7-25.8-178-61.1-162.7-54.400113.9F60F60-M63 HydrophobicContact CD1-CE 3.25Å; F60-M63 HydrophobicContact CE1-CE 3.59Å; F60-M63 HydrophobicContact CG-CE 4.2Å; F60-M63 PolarHBondContact O-N 3.36Å
64F75.4Confident82.5Confident64 Ų6472.3 Ų72.328%0.28135%0.354SS..SBendtrans-97.2162.6-174-67.5-67.9000114.1R52 F60 F66 F119 Y124R52-F64 PolarHBondContact NH1-O 3.32Å; R52-F64 PolarHBondContact NH2-O 2.9Å; F60-F64 HydrophobicContact CB-CD2 4.12Å; F60-F64 HydrophobicContact CB-CE2 3.86Å; F60-F64 AromaticContact CD1-CE2 3.85Å; F60-F64 HydrophobicContact CD1-CE2 3.85Å; F60-F64 HydrophobicContact CD1-CZ 4.47Å; F60-F64 HydrophobicContact CG-CE2 4.28Å; F60-F64 WeakPolarHBondContact O-CD2 3.31Å; F60-F64 PolarHBondContact O-N 2.64Å; F64-F66 HydrophobicContact CB-CD1 3.65Å; F64-F66 HydrophobicContact CB-CE1 3.16Å; F64-F66 HydrophobicContact CB-CZ 3.71Å; F64-F66 HydrophobicContact CD2-CE1 4.33Å; F64-F66 HydrophobicContact CD2-CZ 4.19Å; F64-F66 HydrophobicContact CG-CE1 4.05Å; F64-F66 HydrophobicContact CG-CZ 4.35Å; F64-F66 PolarHBondContact O-N 2.85Å; F64-F66 VanDerWaalsContact O-N 3.15Å; F64-F119 HydrophobicContact CD2-CE1 4.06Å; F64-F119 HydrophobicContact CE2-CE1 4.27Å; F64-Y124 HydrophobicContact CE2-CE1 4.4Å; F64-Y124 HydrophobicContact CZ-CD1 4.49Å
65R82.5Confident83.3Confident135 Ų13573.7 Ų73.751%0.50936%0.357SS..  trans-8089176.1-74-174.2-179.3-179.30.9110E26 L36 D129E26-R65 IonicContact OE2-NH1 3.38Å; L36-R65 WeakPolarHBondContact CD2-O 3.23Å; R65-D129 WeakPolarHBondContact O-CB 3.42Å
66F90.4Very high84.6Confident7 Ų770.5 Ų70.53%0.03135%0.353CS..  trans-107.8149.8-179.7-67.7-2.2000111.9A50 S51 R52 C61 F64 F119 Y123A50-F66 HydrophobicContact CB-CD1 3.26Å; A50-F66 HydrophobicContact CB-CD2 4.2Å; A50-F66 HydrophobicContact CB-CE1 3.26Å; A50-F66 HydrophobicContact CB-CE2 4.15Å; A50-F66 HydrophobicContact CB-CG 3.78Å; A50-F66 HydrophobicContact CB-CZ 3.73Å; A50-F66 WeakPolarHBondContact O-CA 3.16Å; A50-F66 WeakPolarHBondContact O-CB 3.2Å; S51-F66 VanDerWaalsContact O-CD2 3.22Å; S51-F66 WeakPolarHBondContact O-CD2 3.41Å; R52-F66 HydrophobicContact CB-CB 4.47Å; R52-F66 PolarHBondContact NH2-O 2.84Å; C61-F66 HydrophobicContact CB-CD2 4.28Å; C61-F66 HydrophobicContact CB-CE2 3.86Å; C61-F66 VanDerWaalsContact SG-CD2 3.52Å; F64-F66 HydrophobicContact CB-CD1 3.65Å; F64-F66 HydrophobicContact CB-CE1 3.16Å; F64-F66 HydrophobicContact CB-CZ 3.71Å; F64-F66 HydrophobicContact CD2-CE1 4.33Å; F64-F66 HydrophobicContact CD2-CZ 4.19Å; F64-F66 HydrophobicContact CG-CE1 4.05Å; F64-F66 HydrophobicContact CG-CZ 4.35Å; F64-F66 PolarHBondContact O-N 2.85Å; F64-F66 VanDerWaalsContact O-N 3.15Å; F66-F119 HydrophobicContact CE2-CE1 4.31Å; F66-F119 HydrophobicContact CE2-CE2 4.39Å; F66-F119 AromaticContact CE2-CZ 3.57Å; F66-F119 HydrophobicContact CE2-CZ 3.57Å; F66-F119 AromaticContact CZ-CE1 3.79Å; F66-F119 HydrophobicContact CZ-CE1 3.79Å; F66-F119 AromaticContact CZ-CZ 3.54Å; F66-F119 HydrophobicContact CZ-CZ 3.54Å; F66-Y123 HydrophobicContact CE1-CE1 4.37Å; F66-Y123 WeakPolarHBondContact CE1-OH 3.27Å; F66-Y123 HydrophobicContact CZ-CE1 4.39Å
67Y95.5Very high86.1Confident0 Ų066.9 Ų66.90%035%0.351CS..BIsolated β-bridgetrans-63.8133173.4174.1-107.2000110.6V29 A50 R52 Y75 D98 F112 E114V29-Y67 HydrophobicContact CB-CD2 4.04Å; V29-Y67 HydrophobicContact CB-CE2 4.18Å; V29-Y67 HydrophobicContact CG1-CD2 3.75Å; V29-Y67 HydrophobicContact CG1-CE2 3.52Å; A50-Y67 PolarHBondContact O-N 3.31Å; R52-Y67 VanDerWaalsContact CB-O 3.25Å; R52-Y67 WeakPolarHBondContact CB-O 3.34Å; R52-Y67 PolarHBondContact N-O 3.04Å; Y67-Y75 WeakPolarHBondContact OH-CD2 3.47Å; Y67-D98 PolarHBondContact OH-OD2 2.77Å; Y67-F112 AromaticContact CD1-CE2 3.82Å; Y67-F112 HydrophobicContact CD1-CE2 3.82Å; Y67-F112 HydrophobicContact CD1-CZ 4.09Å; Y67-F112 AromaticContact CE1-CE2 3.74Å; Y67-F112 HydrophobicContact CE1-CE2 3.74Å; Y67-F112 AromaticContact CE1-CZ 3.59Å; Y67-F112 HydrophobicContact CE1-CZ 3.59Å; Y67-F112 HydrophobicContact CE2-CZ 4.18Å; Y67-F112 HydrophobicContact CG-CE2 4.34Å; Y67-F112 AromaticContact CZ-CZ 3.65Å; Y67-E114 HydrophobicContact CD1-CG 3.75Å; Y67-E114 HydrophobicContact CE1-CG 3.99Å
68D95Very high87.4Confident17 Ų1765.6 Ų65.69%0.09134%0.344CS..  trans-123.297.4178.4-174.2-9.8000110Q34 R52 S70 K71Q34-D68 PolarHBondContact NE2-O 3.44Å; Q34-D68 PolarHBondContact OE1-O 2.96Å; R52-D68 HydrophobicContact CB-CB 3.97Å; R52-D68 HydrophobicContact CG-CB 4.28Å; D68-S70 PolarHBondContact O-N 2.88Å; D68-S70 VanDerWaalsContact O-N 3.15Å; D68-S70 WeakPolarHBondContact OD1-CB 3.18Å; D68-S70 PolarHBondContact OD1-N 3.18Å; D68-S70 VanDerWaalsContact OD1-N 3.09Å; D68-S70 PolarHBondContact OD1-OG 2.72Å; D68-K71 HydrophobicContact CB-CD 4.18Å; D68-K71 HydrophobicContact CB-CG 4.38Å; D68-K71 PolarHBondContact O-N 3.46Å; D68-K71 VanDerWaalsContact O-N 3.08Å; D68-K71 WeakPolarHBondContact OD2-CD 3.29Å; D68-K71 VanDerWaalsContact OD2-CE 3.28Å; D68-K71 WeakPolarHBondContact OD2-CE 3.15Å; D68-K71 IonicContact OD2-NZ 3.53Å; D68-K71 PolarHBondContact OD2-NZ 3.01Å
69S96.9Very high88.6Confident2 Ų265.9 Ų65.91%0.01436%0.357CS..G310 helixtrans-58.9-24.5179.136.60000113.6R53 K71 S72 E114R53-S69 PolarHBondContact NE-OG 3Å; R53-S69 VanDerWaalsContact NE-OG 3.12Å; R53-S69 PolarHBondContact NH2-OG 3.36Å; S69-K71 PolarHBondContact O-N 3.11Å; S69-S72 PolarHBondContact O-N 2.95Å; S69-E114 PolarHBondContact OG-OE1 2.94Å; S69-E114 VanDerWaalsContact OG-OE1 3.1Å
70S96.2Very high90Very high95 Ų9563.8 Ų63.866%0.66435%0.346SS*.G310 helixtrans-67.9-18.2178.3750000113.4D68D68-S70 PolarHBondContact O-N 2.88Å; D68-S70 VanDerWaalsContact O-N 3.15Å; D68-S70 WeakPolarHBondContact OD1-CB 3.18Å; D68-S70 PolarHBondContact OD1-N 3.18Å; D68-S70 VanDerWaalsContact OD1-N 3.09Å; D68-S70 PolarHBondContact OD1-OG 2.72Å
71K96.8Very high91.2Very high122 Ų12263.7 Ų63.753%0.5336%0.356SS..G310 helixtrans-97.22.5179.8-66.4179.4178.6126.40113.3P32 D68 S69P32-K71 WeakPolarHBondContact CD-O 3.33Å; D68-K71 HydrophobicContact CB-CD 4.18Å; D68-K71 HydrophobicContact CB-CG 4.38Å; D68-K71 PolarHBondContact O-N 3.46Å; D68-K71 VanDerWaalsContact O-N 3.08Å; D68-K71 WeakPolarHBondContact OD2-CD 3.29Å; D68-K71 VanDerWaalsContact OD2-CE 3.28Å; D68-K71 WeakPolarHBondContact OD2-CE 3.15Å; D68-K71 IonicContact OD2-NZ 3.53Å; D68-K71 PolarHBondContact OD2-NZ 3.01Å; S69-K71 PolarHBondContact O-N 3.11Å
72S98.4Very high92.3Very high14 Ų1463.7 Ų63.710%0.09836%0.356CS..  trans-111.7123.4-178.7-176.30000111.7G30 T31 S69 T74 Y75 D98G30-S72 WeakPolarHBondContact CA-OG 3.47Å; T31-S72 PolarHBondContact N-OG 3.28Å; T31-S72 CarbonylContact O-C 3.6Å; T31-S72 VanDerWaalsContact O-CA 3.32Å; T31-S72 WeakPolarHBondContact O-CA 3.45Å; S69-S72 PolarHBondContact O-N 2.95Å; S72-T74 VanDerWaalsContact C-N 3.31Å; S72-T74 PolarHBondContact OG-N 2.91Å; S72-T74 PolarHBondContact OG-OG1 3.2Å; S72-Y75 PolarHBondContact OG-N 2.87Å; S72-D98 WeakPolarHBondContact CB-OD2 3.49Å; S72-D98 VanDerWaalsContact OG-CG 3.28Å; S72-D98 PolarHBondContact OG-OD1 3.09Å; S72-D98 PolarHBondContact OG-OD2 3.09Å
73S98.4Very high93.6Very high100 Ų10061.4 Ų61.470%0.69935%0.352SS*.THydrogen-bonded Turntrans-79.5-12.9173.768.80000113.3T31T31-S73 PolarHBondContact O-N 2.75Å; T31-S73 PolarHBondContact O-OG 3.07Å
74T98.6Very high94.7Very high48 Ų4856.9 Ų56.929%0.29433%0.331SS..THydrogen-bonded Turntrans-100.70.6176.946.80000112.9T31 S72 D98T31-T74 WeakPolarHBondContact CB-OG1 3.22Å; T31-T74 PolarHBondContact N-OG1 2.83Å; T31-T74 VanDerWaalsContact OG1-CG2 3.31Å; T31-T74 WeakPolarHBondContact OG1-CG2 3.39Å; T31-T74 PolarHBondContact OG1-OG1 2.79Å; S72-T74 VanDerWaalsContact C-N 3.31Å; S72-T74 PolarHBondContact OG-N 2.91Å; S72-T74 PolarHBondContact OG-OG1 3.2Å; T74-D98 VanDerWaalsContact CB-OD1 3.26Å; T74-D98 WeakPolarHBondContact CB-OD1 3.46Å; T74-D98 PolarHBondContact OG1-OD1 3.03Å
75Y98.6Very high95.3Very high48 Ų4857.5 Ų57.519%0.18834%0.343CS..  trans-66134.3175.7165.4-108.2000111.4R53 Y67 S72 A77 V97 D98R53-Y75 PolarHBondContact NH1-OH 3.4Å; Y67-Y75 WeakPolarHBondContact OH-CD2 3.47Å; S72-Y75 PolarHBondContact OG-N 2.87Å; Y75-A77 HydrophobicContact CE1-CB 3.97Å; Y75-A77 WeakPolarHBondContact OH-CB 3.33Å; Y75-V97 WeakPolarHBondContact CA-O 3.44Å; Y75-D98 PolarHBondContact N-OD1 3.42Å
76V98.5Very high95.4Very high79 Ų7953.1 Ų53.148%0.47933%0.327SS..EExtended strand (participates in β ladder)trans-122.8123.6169.8179.20000107.9V97V76-V97 HydrophobicContact CB-CB 4.1Å; V76-V97 HydrophobicContact CB-CG1 4.47Å; V76-V97 PolarHBondContact N-O 3.41Å; V76-V97 PolarHBondContact O-N 2.84Å
77A97.7Very high94.7Very high71 Ų7158 Ų5859%0.58735%0.353SS*.EExtended strand (participates in β ladder)trans-71.9133177.400000110.7Y75Y75-A77 HydrophobicContact CE1-CB 3.97Å; Y75-A77 WeakPolarHBondContact OH-CB 3.33Å
78D96.9Very high93.7Very high74 Ų7463.9 Ų63.940%0.39638%0.384SS..EExtended strand (participates in β ladder)trans-111.9-63.1167.4176.3-42.4000108.5S80 W95D78-S80 VanDerWaalsContact C-N 3.3Å; D78-S80 PolarHBondContact O-N 3.15Å; D78-S80 WeakPolarHBondContact OD1-CB 3.25Å; D78-S80 PolarHBondContact OD1-N 2.87Å; D78-S80 PolarHBondContact OD1-OG 2.83Å; D78-W95 HydrophobicContact CB-CB 4.06Å
79G96Very high93Very high46 Ų4663.9 Ų63.947%0.47439%0.386SS..EExtended strand (participates in β ladder)trans82.9-4.5172.700000115.3W95G79-W95 PolarHBondContact N-O 3.38Å
80S97.3Very high92.6Very high54 Ų5469.3 Ų69.338%0.37841%0.414SS..EExtended strand (participates in β ladder)trans-62.3146.1171.660.50000111.6D78 F94 W95D78-S80 VanDerWaalsContact C-N 3.3Å; D78-S80 PolarHBondContact O-N 3.15Å; D78-S80 WeakPolarHBondContact OD1-CB 3.25Å; D78-S80 PolarHBondContact OD1-N 2.87Å; D78-S80 PolarHBondContact OD1-OG 2.83Å; S80-F94 CarbonylContact O-C 3.46Å; S80-F94 WeakPolarHBondContact O-CA 3.02Å; S80-W95 PolarHBondContact O-N 2.88Å; S80-W95 VanDerWaalsContact OG-CD1 3.29Å
81S96.5Very high92.2Very high79 Ų7965.8 Ų65.855%0.55239%0.387SS*.EExtended strand (participates in β ladder)trans-67.8143.5-175.1-58.40000112.3Y142S81-Y142 WeakPolarHBondContact O-CE1 3.45Å
82F96.5Very high92.1Very high0 Ų061 Ų610%037%0.368CS..EExtended strand (participates in β ladder)trans-123.9133.8171.2-178.4-111.3000110.7D46 V84 S92 G93 W95 A113 M115 Y142D46-F82 HydrophobicContact CB-CE2 3.89Å; D46-F82 HydrophobicContact CB-CZ 3.6Å; F82-V84 HydrophobicContact CD1-CG1 4.43Å; F82-V84 HydrophobicContact CE1-CB 3.76Å; F82-V84 HydrophobicContact CE1-CG1 3.55Å; F82-V84 HydrophobicContact CZ-CB 3.71Å; F82-V84 HydrophobicContact CZ-CG1 4Å; F82-V84 HydrophobicContact CZ-CG2 4.38Å; F82-S92 CarbonylContact O-C 3.48Å; F82-S92 VanDerWaalsContact O-CA 3.25Å; F82-S92 WeakPolarHBondContact O-CA 3.34Å; F82-S92 WeakPolarHBondContact O-CB 3.24Å; F82-G93 PolarHBondContact N-O 2.81Å; F82-G93 PolarHBondContact O-N 2.87Å; F82-W95 AromaticContact CD2-CE2 3.54Å; F82-W95 HydrophobicContact CD2-CH2 4.3Å; F82-W95 AromaticContact CD2-CZ2 3.37Å; F82-W95 HydrophobicContact CD2-CZ2 3.37Å; F82-W95 AromaticContact CD2-NE1 3.58Å; F82-W95 HydrophobicContact CE2-CH2 4.21Å; F82-W95 AromaticContact CE2-CZ2 3.57Å; F82-W95 HydrophobicContact CE2-CZ2 3.57Å; F82-W95 HydrophobicContact CG-CZ2 4.3Å; F82-A113 HydrophobicContact CB-CB 3.76Å; F82-A113 HydrophobicContact CD1-CB 3.17Å; F82-A113 HydrophobicContact CD2-CB 4.29Å; F82-A113 HydrophobicContact CE1-CB 3.75Å; F82-A113 HydrophobicContact CG-CB 3.47Å; F82-A113 VanDerWaalsContact CG-CB 3.47Å; F82-M115 HydrophobicContact CD1-CE 3.31Å; F82-M115 HydrophobicContact CD1-SD 4.25Å; F82-M115 HydrophobicContact CE1-CE 3.16Å; F82-M115 HydrophobicContact CZ-CE 4.47Å; F82-Y142 AromaticContact CD2-CD2 3.77Å; F82-Y142 HydrophobicContact CD2-CD2 3.77Å; F82-Y142 HydrophobicContact CD2-CE1 4.27Å; F82-Y142 AromaticContact CD2-CE2 3.39Å; F82-Y142 HydrophobicContact CD2-CE2 3.39Å; F82-Y142 HydrophobicContact CD2-CG 4.37Å; F82-Y142 AromaticContact CD2-CZ 3.67Å; F82-Y142 AromaticContact CE2-CD2 3.76Å; F82-Y142 HydrophobicContact CE2-CD2 3.76Å; F82-Y142 AromaticContact CE2-CE2 3.38Å; F82-Y142 HydrophobicContact CE2-CE2 3.38Å
83H95.1Very high91.9Very high114 Ų11461 Ų6153%0.52837%0.371SS..EExtended strand (participates in β ladder)trans-133.9135175-61.4-83.8000109.4S92 Y142H83-S92 WeakPolarHBondContact ND1-CB 3.21Å; H83-Y142 PolarHBondContact N-OH 3.02Å; H83-Y142 PolarHBondContact O-OH 2.98Å
84V91.9Very high91.8Very high25 Ų2556.9 Ų56.915%0.15234%0.34CS..EExtended strand (participates in β ladder)trans-145.3145.7176.365.80000110.4F82 Y86 Y91 M115F82-V84 HydrophobicContact CD1-CG1 4.43Å; F82-V84 HydrophobicContact CE1-CB 3.76Å; F82-V84 HydrophobicContact CE1-CG1 3.55Å; F82-V84 HydrophobicContact CZ-CB 3.71Å; F82-V84 HydrophobicContact CZ-CG1 4Å; F82-V84 HydrophobicContact CZ-CG2 4.38Å; V84-Y86 HydrophobicContact CB-CE2 4.32Å; V84-Y86 HydrophobicContact CG1-CD2 4.11Å; V84-Y86 HydrophobicContact CG1-CE2 3.57Å; V84-Y86 HydrophobicContact CG2-CD2 4.2Å; V84-Y86 HydrophobicContact CG2-CE1 4.45Å; V84-Y86 HydrophobicContact CG2-CE2 3.72Å; V84-Y91 PolarHBondContact N-O 3.07Å; V84-Y91 PolarHBondContact O-N 3.26Å; V84-M115 HydrophobicContact CG1-CE 3.76Å
85S88.3Confident91.8Very high77 Ų7754.7 Ų54.754%0.53833%0.327SS..EExtended strand (participates in β ladder)trans-115.7126.3172.8-51.40000108.3S89 N90S85-S89 CarbonylContact C-O 3.58Å; S85-S89 VanDerWaalsContact CA-O 3.31Å; S85-S89 WeakPolarHBondContact CA-O 3.37Å; S85-N90 WeakPolarHBondContact CB-OD1 3.21Å; S85-N90 PolarHBondContact OG-OD1 2.96Å
86Y83Confident91.8Very high44 Ų4452.4 Ų52.417%0.17332%0.318CS..EExtended strand (participates in β ladder)trans-112.1110.4170.5-68.9-77.1000108W48 V84 D88 S89 Y91 I131W48-Y86 HydrophobicContact CZ2-CE2 4.32Å; W48-Y86 AromaticContact NE1-CE2 3.28Å; W48-Y86 VanDerWaalsContact NE1-CE2 3.28Å; W48-Y86 AromaticContact NE1-CZ 3.43Å; W48-Y86 PolarHBondContact NE1-OH 3.19Å; V84-Y86 HydrophobicContact CB-CE2 4.32Å; V84-Y86 HydrophobicContact CG1-CD2 4.11Å; V84-Y86 HydrophobicContact CG1-CE2 3.57Å; V84-Y86 HydrophobicContact CG2-CD2 4.2Å; V84-Y86 HydrophobicContact CG2-CE1 4.45Å; V84-Y86 HydrophobicContact CG2-CE2 3.72Å; Y86-D88 PolarHBondContact O-N 2.85Å; Y86-D88 VanDerWaalsContact O-N 3.07Å; Y86-S89 PolarHBondContact N-O 3.36Å; Y86-S89 PolarHBondContact O-N 3.23Å; Y86-Y91 AromaticContact CD2-CD2 3.61Å; Y86-Y91 HydrophobicContact CD2-CD2 3.61Å; Y86-Y91 AromaticContact CD2-CE2 3.73Å; Y86-Y91 HydrophobicContact CD2-CE2 3.73Å; Y86-Y91 HydrophobicContact CE2-CD2 4.37Å; Y86-Y91 HydrophobicContact CG-CE2 4.4Å; Y86-I131 HydrophobicContact CE1-CD1 4.3Å; Y86-I131 HydrophobicContact CE2-CD1 4.33Å
87L76.6Confident91.8Very high109 Ų10950 Ų5057%0.57130%0.303SS*.THydrogen-bonded Turntrans52.8-113.2-172.4-54.3174.5000109.9L233 H303L87-L233 HydrophobicContact CD2-CD1 4.47Å; L87-H303 VanDerWaalsContact CD2-NE2 3.35Å; L87-H303 WeakPolarHBondContact CD2-NE2 3.33Å
88D74.3Confident91.8Very high124 Ų12446.6 Ų46.666%0.66328%0.275SS*.THydrogen-bonded Turntrans-96.9-1.4-177.3-56.4-48000113.2Y86 H303Y86-D88 PolarHBondContact O-N 2.85Å; Y86-D88 VanDerWaalsContact O-N 3.07Å; D88-H303 IonicContact OD2-CE1 3.3Å
89S81.1Confident91.9Very high17 Ų1743.7 Ų43.712%0.11926%0.26CS..EExtended strand (participates in β ladder)trans-104.8135-175.8-870000112.4S85 Y86 D122S85-S89 CarbonylContact C-O 3.58Å; S85-S89 VanDerWaalsContact CA-O 3.31Å; S85-S89 WeakPolarHBondContact CA-O 3.37Å; Y86-S89 PolarHBondContact N-O 3.36Å; Y86-S89 PolarHBondContact O-N 3.23Å; S89-D122 WeakPolarHBondContact CB-OD2 3.42Å; S89-D122 PolarHBondContact OG-OD2 2.92Å
90N87.3Confident92Very high116 Ų11641.5 Ų41.562%0.6224%0.237SC*.EExtended strand (participates in β ladder)trans-109136.8-179.4-65.5-68.6000111.1S85S85-N90 WeakPolarHBondContact CB-OD1 3.21Å; S85-N90 PolarHBondContact OG-OD1 2.96Å
91Y89.5Confident92Very high21 Ų2141.6 Ų41.68%0.08223%0.229CC..EExtended strand (participates in β ladder)trans-130.7148.3-179.1-55.9-92.1000109.7V84 Y86 I118 N120V84-Y91 PolarHBondContact N-O 3.07Å; V84-Y91 PolarHBondContact O-N 3.26Å; Y86-Y91 AromaticContact CD2-CD2 3.61Å; Y86-Y91 HydrophobicContact CD2-CD2 3.61Å; Y86-Y91 AromaticContact CD2-CE2 3.73Å; Y86-Y91 HydrophobicContact CD2-CE2 3.73Å; Y86-Y91 HydrophobicContact CE2-CD2 4.37Å; Y86-Y91 HydrophobicContact CG-CE2 4.4Å; Y91-I118 HydrophobicContact CD1-CB 4.45Å; Y91-I118 HydrophobicContact CD1-CG1 3.92Å; Y91-I118 HydrophobicContact CE1-CG1 4.04Å; Y91-N120 VanDerWaalsContact CE1-ND2 3.26Å; Y91-N120 WeakPolarHBondContact CE1-ND2 3.08Å; Y91-N120 PolarHBondContact OH-ND2 2.9Å
92S93Very high92Very high21 Ų2137.9 Ų37.915%0.14720%0.203CC..EExtended strand (participates in β ladder)trans-149.3152.8175.666.90000113.5F82 H83 R116 N117F82-S92 CarbonylContact O-C 3.48Å; F82-S92 VanDerWaalsContact O-CA 3.25Å; F82-S92 WeakPolarHBondContact O-CA 3.34Å; F82-S92 WeakPolarHBondContact O-CB 3.24Å; H83-S92 WeakPolarHBondContact ND1-CB 3.21Å; S92-R116 PolarHBondContact O-N 2.92Å; S92-N117 PolarHBondContact O-N 3.3Å; S92-N117 WeakPolarHBondContact OG-CB 3.45Å; S92-N117 PolarHBondContact OG-ND2 2.89Å
93G94.7Very high91.7Very high14 Ų1440.5 Ų40.514%0.14423%0.23CC..EExtended strand (participates in β ladder)trans-165.4-149.7-176.100000111.4F82 E114F82-G93 PolarHBondContact N-O 2.81Å; F82-G93 PolarHBondContact O-N 2.87Å; G93-E114 WeakPolarHBondContact CA-O 3.35Å
94F96.9Very high91.5Very high13 Ų1340.2 Ų40.26%0.05724%0.241CC..EExtended strand (participates in β ladder)trans-144.1151.1177.261.5-79.3000110.1R53 S80 S96 A113 E114 R116R53-F94 HydrophobicContact CB-CE1 4.45Å; R53-F94 HydrophobicContact CB-CZ 4.43Å; S80-F94 CarbonylContact O-C 3.46Å; S80-F94 WeakPolarHBondContact O-CA 3.02Å; F94-S96 WeakPolarHBondContact CE2-OG 3.37Å; F94-A113 CarbonylContact O-C 3.53Å; F94-A113 WeakPolarHBondContact O-CA 3.26Å; F94-E114 HydrophobicContact CD1-CB 4.1Å; F94-E114 HydrophobicContact CD2-CB 4.33Å; F94-E114 HydrophobicContact CE1-CB 3.52Å; F94-E114 HydrophobicContact CE2-CB 3.81Å; F94-E114 HydrophobicContact CE2-CG 4.11Å; F94-E114 WeakPolarHBondContact CE2-OE1 3.46Å; F94-E114 HydrophobicContact CG-CB 4.46Å; F94-E114 HydrophobicContact CZ-CB 3.37Å; F94-E114 HydrophobicContact CZ-CG 3.88Å; F94-E114 WeakPolarHBondContact CZ-OE1 3.38Å; F94-E114 PolarHBondContact N-O 3.09Å; F94-E114 VanDerWaalsContact N-O 3.17Å; F94-E114 PolarHBondContact O-N 2.94Å; F94-R116 HydrophobicContact CD1-CG 4.23Å; F94-R116 HydrophobicContact CE1-CG 4.06Å; F94-R116 VanDerWaalsContact CE1-CZ 3.47Å
95W98.1Very high91.6Very high3 Ų339.7 Ų39.71%0.01124%0.237CC..EExtended strand (participates in β ladder)trans-71.1146.7178.5-72.8102.5000112D46 D78 G79 S80 F82 A111 Y142 N144D46-W95 HydrophobicContact CB-CH2 4.08Å; D46-W95 WeakPolarHBondContact OD1-CH2 3.32Å; D78-W95 HydrophobicContact CB-CB 4.06Å; G79-W95 PolarHBondContact N-O 3.38Å; S80-W95 PolarHBondContact O-N 2.88Å; S80-W95 VanDerWaalsContact OG-CD1 3.29Å; F82-W95 AromaticContact CD2-CE2 3.54Å; F82-W95 HydrophobicContact CD2-CH2 4.3Å; F82-W95 AromaticContact CD2-CZ2 3.37Å; F82-W95 HydrophobicContact CD2-CZ2 3.37Å; F82-W95 AromaticContact CD2-NE1 3.58Å; F82-W95 HydrophobicContact CE2-CH2 4.21Å; F82-W95 AromaticContact CE2-CZ2 3.57Å; F82-W95 HydrophobicContact CE2-CZ2 3.57Å; F82-W95 HydrophobicContact CG-CZ2 4.3Å; W95-A111 HydrophobicContact CE3-CB 4.15Å; W95-A111 HydrophobicContact CZ3-CB 4.17Å; W95-Y142 AromaticContact CE2-CG 3.91Å; W95-Y142 AromaticContact CZ2-CD2 3.73Å; W95-Y142 HydrophobicContact CZ2-CD2 3.73Å; W95-Y142 AromaticContact CZ2-CG 3.81Å; W95-Y142 HydrophobicContact CZ2-CG 3.81Å; W95-Y142 AromaticContact NE1-CD1 3.5Å; W95-Y142 AromaticContact NE1-CG 3.44Å; W95-N144 VanDerWaalsContact CE2-ND2 3.25Å; W95-N144 VanDerWaalsContact CE3-ND2 3.32Å; W95-N144 HydrophobicContact CH2-CB 4.16Å; W95-N144 HydrophobicContact CZ3-CB 4.16Å
96S98.5Very high91.9Very high0 Ų039.6 Ų39.60%023%0.233CC..EExtended strand (participates in β ladder)trans-146.2160.1173.9-71.90000109.3F94 A111 F112 E114F94-S96 WeakPolarHBondContact CE2-OG 3.37Å; S96-A111 CarbonylContact O-C 3.57Å; S96-A111 WeakPolarHBondContact O-CA 3.45Å; S96-F112 PolarHBondContact N-O 2.85Å; S96-F112 PolarHBondContact O-N 2.79Å; S96-E114 PolarHBondContact OG-OE1 2.76Å; S96-E114 VanDerWaalsContact OG-OE1 3.07Å
97V98.6Very high92.5Very high27 Ų2737.6 Ų37.616%0.16423%0.225CC..EExtended strand (participates in β ladder)trans-126.9133.6177.8176.60000108.5Y75 V76 N109 Q110 A111Y75-V97 WeakPolarHBondContact CA-O 3.44Å; V76-V97 HydrophobicContact CB-CB 4.1Å; V76-V97 HydrophobicContact CB-CG1 4.47Å; V76-V97 PolarHBondContact N-O 3.41Å; V76-V97 PolarHBondContact O-N 2.84Å; V97-N109 HydrophobicContact CG1-CB 4.27Å; V97-Q110 WeakPolarHBondContact CA-O 3.32Å; V97-A111 HydrophobicContact CG2-CB 4.22Å
98D98.7Very high93.5Very high1 Ų134.3 Ų34.31%0.00521%0.211CC..EExtended strand (participates in β ladder)trans-156.9179.8175-149.4-25.2000110.6V29 G30 Y67 S72 T74 Y75 Q110 F112V29-D98 HydrophobicContact CG1-CB 4.22Å; G30-D98 WeakPolarHBondContact CA-OD1 3.25Å; G30-D98 VanDerWaalsContact CA-OD2 3.25Å; G30-D98 WeakPolarHBondContact CA-OD2 3.41Å; Y67-D98 PolarHBondContact OH-OD2 2.77Å; S72-D98 WeakPolarHBondContact CB-OD2 3.49Å; S72-D98 VanDerWaalsContact OG-CG 3.28Å; S72-D98 PolarHBondContact OG-OD1 3.09Å; S72-D98 PolarHBondContact OG-OD2 3.09Å; T74-D98 VanDerWaalsContact CB-OD1 3.26Å; T74-D98 WeakPolarHBondContact CB-OD1 3.46Å; T74-D98 PolarHBondContact OG1-OD1 3.03Å; Y75-D98 PolarHBondContact N-OD1 3.42Å; D98-Q110 PolarHBondContact N-O 2.63Å; D98-Q110 VanDerWaalsContact N-O 3.13Å; D98-Q110 PolarHBondContact O-N 2.94Å; D98-F112 HydrophobicContact CB-CE1 3.61Å; D98-F112 HydrophobicContact CB-CZ 4.04Å
99T98.3Very high94.6Very high13 Ų1333.9 Ų33.98%0.0821%0.208CC..EExtended strand (participates in β ladder)trans-87.4125.9172.7-58.80000110.1V29 G30 V106 I107V29-T99 WeakPolarHBondContact CA-O 3.42Å; G30-T99 PolarHBondContact N-O 2.73Å; T99-V106 HydrophobicContact CG2-CG1 3.56Å; T99-I107 WeakPolarHBondContact CA-O 3.32Å
100I98.3Very high95.4Very high0 Ų033.1 Ų33.10%020%0.203CC..EExtended strand (participates in β ladder)trans-107.1144.7173.7-61.8-178.1000109.2I27 S28 V29 T47 F49 I107 Q110 F112 M147I27-I100 HydrophobicContact CD1-CG2 3.96Å; S28-I100 CarbonylContact O-C 3.5Å; S28-I100 WeakPolarHBondContact O-CA 3.23Å; V29-I100 HydrophobicContact CG1-CG1 4.14Å; V29-I100 HydrophobicContact CG2-CG1 4.17Å; T47-I100 HydrophobicContact CG2-CD1 4.37Å; F49-I100 HydrophobicContact CE2-CD1 3.72Å; F49-I100 HydrophobicContact CZ-CD1 3.77Å; I100-I107 PolarHBondContact N-O 3.13Å; I100-I107 WeakPolarHBondContact O-CD1 3.39Å; I100-I107 PolarHBondContact O-N 3.38Å; I100-Q110 HydrophobicContact CD1-CB 4.01Å; I100-Q110 HydrophobicContact CD1-CG 3.68Å; I100-Q110 HydrophobicContact CG1-CB 4.19Å; I100-Q110 HydrophobicContact CG1-CG 4.38Å; I100-F112 HydrophobicContact CD1-CD1 4.15Å; I100-M147 HydrophobicContact CB-CE 4.36Å; I100-M147 HydrophobicContact CD1-CE 3.57Å; I100-M147 HydrophobicContact CG2-CE 4.04Å
101R97.4Very high95.9Very high55 Ų5528 Ų2821%0.20818%0.177CC..EExtended strand (participates in β ladder)trans-127.2129.2177.4-60.2-179-175.877.1-4.6110.5I27 S28 G30 T31 L105 V106I27-R101 WeakPolarHBondContact CA-O 3.09Å; I27-R101 WeakPolarHBondContact CB-O 3.31Å; S28-R101 PolarHBondContact N-O 3.18Å; S28-R101 PolarHBondContact O-N 3.05Å; G30-R101 PolarHBondContact O-NH1 3.44Å; T31-R101 PolarHBondContact OG1-NH2 3.42Å; R101-L105 WeakPolarHBondContact CA-O 3.39Å; R101-V106 HydrophobicContact CG-CG1 4.37Å; R101-V106 HydrophobicContact CG-CG2 4.19Å
102I96.2Very high96.3Very high2 Ų227 Ų271%0.0117%0.173CC..EExtended strand (participates in β ladder)trans-118.6106.4173.5-54.4175.3000106.2T11 E13 I27 F40 S104 L105 I107 L180T11-I102 HydrophobicContact CG2-CG2 4.45Å; T11-I102 WeakPolarHBondContact CG2-O 3.26Å; E13-I102 HydrophobicContact CB-CG2 3.95Å; E13-I102 HydrophobicContact CG-CG2 4.21Å; I27-I102 HydrophobicContact CG2-CG1 3.87Å; F40-I102 HydrophobicContact CE1-CD1 4.01Å; F40-I102 HydrophobicContact CZ-CD1 4.45Å; F40-I102 HydrophobicContact CZ-CG2 4.5Å; I102-S104 PolarHBondContact O-N 3.46Å; I102-S104 VanDerWaalsContact O-N 3.16Å; I102-L105 PolarHBondContact N-O 3.14Å; I102-L105 VanDerWaalsContact O-CB 3.32Å; I102-L105 WeakPolarHBondContact O-CB 3.47Å; I102-L105 PolarHBondContact O-N 2.92Å; I102-I107 HydrophobicContact CD1-CD1 4.19Å; I102-I107 HydrophobicContact CG1-CD1 4.08Å; I102-L180 HydrophobicContact CD1-CD1 4Å; I102-L180 HydrophobicContact CG2-CD1 4.27Å
103G90.1Very high96.6Very high54 Ų5426 Ų2656%0.55717%0.166SC*.THydrogen-bonded Turntrans52.3-121-166.600000112.1
104S89.9Confident96.6Very high109 Ų10925.4 Ų25.476%0.76216%0.159SC*.THydrogen-bonded Turntrans-85.9-11176.556.70000114.5I102 V106I102-S104 PolarHBondContact O-N 3.46Å; I102-S104 VanDerWaalsContact O-N 3.16Å; S104-V106 PolarHBondContact O-N 2.97Å
105L94.4Very high96.4Very high14 Ų1424.8 Ų24.87%0.07316%0.157CC..EExtended strand (participates in β ladder)trans-74.9123.7179.8178.564.4000109.6T11 R101 I102 I107 I151 V156 L180T11-L105 HydrophobicContact CG2-CB 3.97Å; R101-L105 WeakPolarHBondContact CA-O 3.39Å; I102-L105 PolarHBondContact N-O 3.14Å; I102-L105 VanDerWaalsContact O-CB 3.32Å; I102-L105 WeakPolarHBondContact O-CB 3.47Å; I102-L105 PolarHBondContact O-N 2.92Å; L105-I107 HydrophobicContact CD2-CD1 4.06Å; L105-I107 HydrophobicContact CD2-CG1 4.32Å; L105-I107 HydrophobicContact CG-CD1 3.91Å; L105-I107 HydrophobicContact CG-CG1 4.16Å; L105-I151 HydrophobicContact CD2-CD1 3.98Å; L105-I151 HydrophobicContact CD2-CG1 4.03Å; L105-I151 HydrophobicContact CD2-CG2 3.99Å; L105-V156 HydrophobicContact CD1-CG1 4.22Å; L105-V156 HydrophobicContact CD1-CG2 3.86Å; L105-L180 HydrophobicContact CD2-CD1 3.78Å
106V95.1Very high95.9Very high75 Ų7529.5 Ų29.546%0.45518%0.175SC..EExtended strand (participates in β ladder)trans-106.7119.8177.1-175.90000108.8T99 R101 S104 P108T99-V106 HydrophobicContact CG2-CG1 3.56Å; R101-V106 HydrophobicContact CG-CG1 4.37Å; R101-V106 HydrophobicContact CG-CG2 4.19Å; S104-V106 PolarHBondContact O-N 2.97Å; V106-P108 WeakPolarHBondContact O-CD 3.5Å
107I96.5Very high95.3Very high1 Ų134.3 Ų34.31%0.00520%0.2CC..EExtended strand (participates in β ladder)trans-110.995.3178.1-49.796.2000108.5T99 I100 I102 L105 Q110 M147 N150 I151T99-I107 WeakPolarHBondContact CA-O 3.32Å; I100-I107 PolarHBondContact N-O 3.13Å; I100-I107 WeakPolarHBondContact O-CD1 3.39Å; I100-I107 PolarHBondContact O-N 3.38Å; I102-I107 HydrophobicContact CD1-CD1 4.19Å; I102-I107 HydrophobicContact CG1-CD1 4.08Å; L105-I107 HydrophobicContact CD2-CD1 4.06Å; L105-I107 HydrophobicContact CD2-CG1 4.32Å; L105-I107 HydrophobicContact CG-CD1 3.91Å; L105-I107 HydrophobicContact CG-CG1 4.16Å; I107-Q110 HydrophobicContact CG2-CB 4.26Å; I107-M147 HydrophobicContact CD1-SD 4.35Å; I107-M147 HydrophobicContact CG1-SD 4.34Å; I107-M147 HydrophobicContact CG2-SD 4.37Å; I107-N150 HydrophobicContact CG2-CB 4.35Å; I107-N150 VanDerWaalsContact CG2-ND2 3.34Å; I107-N150 WeakPolarHBondContact CG2-ND2 3.41Å; I107-I151 HydrophobicContact CD1-CG1 4.37Å; I107-I151 HydrophobicContact CG1-CD1 4.37Å; I107-I151 HydrophobicContact CG1-CG1 3.64Å; I107-I151 HydrophobicContact CG2-CG1 4.49Å
108P96.6Very high94.4Very high40 Ų4033.1 Ų33.126%0.2619%0.193SC..EExtended strand (participates in β ladder)trans-73.1161176.232.8-35.5000111.2V106 Q110 N150 N154V106-P108 WeakPolarHBondContact O-CD 3.5Å; P108-Q110 PolarHBondContact O-N 3.35Å; P108-Q110 VanDerWaalsContact O-N 3.13Å; P108-N150 PolarHBondContact O-ND2 3.05Å; P108-N154 VanDerWaalsContact CG-OD1 3.25Å; P108-N154 WeakPolarHBondContact CG-OD1 3.45Å
109N96.6Very high93.3Very high115 Ų11535 Ų3562%0.61520%0.201SC*.EExtended strand (participates in β ladder)trans52.236.1172.5-52.9-43.6000114V97 A111V97-N109 HydrophobicContact CG1-CB 4.27Å; N109-A111 PolarHBondContact O-N 3.05Å
110Q98.3Very high92.3Very high1 Ų136 Ų361%0.00521%0.206CC..EExtended strand (participates in β ladder)trans-81.5122.1176.8-177.354.556.500109.4V97 D98 I100 I107 P108 F112 I145 M147 N150V97-Q110 WeakPolarHBondContact CA-O 3.32Å; D98-Q110 PolarHBondContact N-O 2.63Å; D98-Q110 VanDerWaalsContact N-O 3.13Å; D98-Q110 PolarHBondContact O-N 2.94Å; I100-Q110 HydrophobicContact CD1-CB 4.01Å; I100-Q110 HydrophobicContact CD1-CG 3.68Å; I100-Q110 HydrophobicContact CG1-CB 4.19Å; I100-Q110 HydrophobicContact CG1-CG 4.38Å; I107-Q110 HydrophobicContact CG2-CB 4.26Å; P108-Q110 PolarHBondContact O-N 3.35Å; P108-Q110 VanDerWaalsContact O-N 3.13Å; Q110-F112 WeakPolarHBondContact O-CD1 3.1Å; Q110-I145 PolarHBondContact NE2-O 3.02Å; Q110-M147 HydrophobicContact CG-CE 3.86Å; Q110-M147 HydrophobicContact CG-SD 4Å; Q110-N150 PolarHBondContact OE1-ND2 2.83Å
111A98.3Very high90.9Very high10 Ų1039.9 Ų39.98%0.08323%0.233CC..EExtended strand (participates in β ladder)trans-74.3135.3169.600000110.5W95 S96 V97 N109 N144W95-A111 HydrophobicContact CE3-CB 4.15Å; W95-A111 HydrophobicContact CZ3-CB 4.17Å; S96-A111 CarbonylContact O-C 3.57Å; S96-A111 WeakPolarHBondContact O-CA 3.45Å; V97-A111 HydrophobicContact CG2-CB 4.22Å; N109-A111 PolarHBondContact O-N 3.05Å; A111-N144 HydrophobicContact CB-CB 3.87Å
112F98.5Very high89.7Confident0 Ų040.9 Ų40.90%024%0.243CC..EExtended strand (participates in β ladder)trans-150.1158.4172.461.6-87.4000110.2V29 T47 F49 Y67 S96 D98 I100 Q110 E114V29-F112 HydrophobicContact CG1-CE1 4.12Å; V29-F112 HydrophobicContact CG1-CZ 4.05Å; T47-F112 HydrophobicContact CG2-CB 3.7Å; T47-F112 CarbonylContact O-C 3.59Å; T47-F112 WeakPolarHBondContact O-CA 3.39Å; T47-F112 WeakPolarHBondContact O-CB 3.38Å; F49-F112 HydrophobicContact CD2-CB 4.44Å; F49-F112 AromaticContact CD2-CD2 3.39Å; F49-F112 HydrophobicContact CD2-CD2 3.39Å; F49-F112 AromaticContact CD2-CE2 3.67Å; F49-F112 HydrophobicContact CD2-CE2 3.67Å; F49-F112 AromaticContact CD2-CG 3.87Å; F49-F112 HydrophobicContact CD2-CG 3.87Å; F49-F112 HydrophobicContact CD2-CZ 4.36Å; F49-F112 HydrophobicContact CE2-CB 4.12Å; F49-F112 HydrophobicContact CE2-CD1 4.12Å; F49-F112 AromaticContact CE2-CD2 3.76Å; F49-F112 HydrophobicContact CE2-CD2 3.76Å; F49-F112 HydrophobicContact CE2-CE2 4.2Å; F49-F112 AromaticContact CE2-CG 3.72Å; F49-F112 HydrophobicContact CE2-CG 3.72Å; F49-F112 HydrophobicContact CG-CD2 4.4Å; Y67-F112 AromaticContact CD1-CE2 3.82Å; Y67-F112 HydrophobicContact CD1-CE2 3.82Å; Y67-F112 HydrophobicContact CD1-CZ 4.09Å; Y67-F112 AromaticContact CE1-CE2 3.74Å; Y67-F112 HydrophobicContact CE1-CE2 3.74Å; Y67-F112 AromaticContact CE1-CZ 3.59Å; Y67-F112 HydrophobicContact CE1-CZ 3.59Å; Y67-F112 HydrophobicContact CE2-CZ 4.18Å; Y67-F112 HydrophobicContact CG-CE2 4.34Å; Y67-F112 AromaticContact CZ-CZ 3.65Å; S96-F112 PolarHBondContact N-O 2.85Å; S96-F112 PolarHBondContact O-N 2.79Å; D98-F112 HydrophobicContact CB-CE1 3.61Å; D98-F112 HydrophobicContact CB-CZ 4.04Å; I100-F112 HydrophobicContact CD1-CD1 4.15Å; Q110-F112 WeakPolarHBondContact O-CD1 3.1Å; F112-E114 HydrophobicContact CE2-CG 3.91Å
113A97.7Very high88.7Confident0 Ų041.2 Ų41.20%024%0.244CC..EExtended strand (participates in β ladder)trans-89.6132.9174.200000111.9T47 W48 F49 F82 F94 M115T47-A113 PolarHBondContact O-N 2.77Å; W48-A113 CarbonylContact C-O 3.56Å; W48-A113 WeakPolarHBondContact CA-O 3.46Å; W48-A113 HydrophobicContact CB-CB 3.9Å; W48-A113 WeakPolarHBondContact CB-O 3.41Å; F49-A113 PolarHBondContact N-O 2.88Å; F82-A113 HydrophobicContact CB-CB 3.76Å; F82-A113 HydrophobicContact CD1-CB 3.17Å; F82-A113 HydrophobicContact CD2-CB 4.29Å; F82-A113 HydrophobicContact CE1-CB 3.75Å; F82-A113 HydrophobicContact CG-CB 3.47Å; F82-A113 VanDerWaalsContact CG-CB 3.47Å; F94-A113 CarbonylContact O-C 3.53Å; F94-A113 WeakPolarHBondContact O-CA 3.26Å; A113-M115 HydrophobicContact CB-CE 4.28Å
114E96.3Very high88.1Confident0 Ų042.7 Ų42.70%023%0.233CC..EExtended strand (participates in β ladder)trans-86.1103.6167.1-79.9-156.8-117.500109.2S51 Y67 S69 G93 F94 S96 F112S51-E114 WeakPolarHBondContact CB-OE2 3.44Å; S51-E114 PolarHBondContact OG-OE2 3.23Å; Y67-E114 HydrophobicContact CD1-CG 3.75Å; Y67-E114 HydrophobicContact CE1-CG 3.99Å; S69-E114 PolarHBondContact OG-OE1 2.94Å; S69-E114 VanDerWaalsContact OG-OE1 3.1Å; G93-E114 WeakPolarHBondContact CA-O 3.35Å; F94-E114 HydrophobicContact CD1-CB 4.1Å; F94-E114 HydrophobicContact CD2-CB 4.33Å; F94-E114 HydrophobicContact CE1-CB 3.52Å; F94-E114 HydrophobicContact CE2-CB 3.81Å; F94-E114 HydrophobicContact CE2-CG 4.11Å; F94-E114 WeakPolarHBondContact CE2-OE1 3.46Å; F94-E114 HydrophobicContact CG-CB 4.46Å; F94-E114 HydrophobicContact CZ-CB 3.37Å; F94-E114 HydrophobicContact CZ-CG 3.88Å; F94-E114 WeakPolarHBondContact CZ-OE1 3.38Å; F94-E114 PolarHBondContact N-O 3.09Å; F94-E114 VanDerWaalsContact N-O 3.17Å; F94-E114 PolarHBondContact O-N 2.94Å; S96-E114 PolarHBondContact OG-OE1 2.76Å; S96-E114 VanDerWaalsContact OG-OE1 3.07Å; F112-E114 HydrophobicContact CE2-CG 3.91Å
115M92.3Very high87.5Confident1 Ų142.8 Ų42.81%0.00523%0.225CC..EExtended strand (participates in β ladder)trans-75.8125.3-176.7-71.6-61.1178.700112.6W48 F49 S51 F82 V84 A113 I118W48-M115 HydrophobicContact CB-CE 3.53Å; W48-M115 HydrophobicContact CB-CG 3.96Å; W48-M115 HydrophobicContact CD2-CE 3.89Å; W48-M115 HydrophobicContact CD2-CG 3.78Å; W48-M115 HydrophobicContact CE3-CB 4.26Å; W48-M115 HydrophobicContact CE3-CE 4.5Å; W48-M115 HydrophobicContact CE3-CG 3.47Å; W48-M115 VanDerWaalsContact CE3-CG 3.47Å; W48-M115 HydrophobicContact CG-CE 3.44Å; W48-M115 VanDerWaalsContact CG-CE 3.44Å; W48-M115 HydrophobicContact CG-CG 4.02Å; W48-M115 HydrophobicContact CZ3-CG 4.24Å; F49-M115 PolarHBondContact O-N 3.04Å; S51-M115 WeakPolarHBondContact CB-O 3.47Å; S51-M115 PolarHBondContact N-O 3.49Å; F82-M115 HydrophobicContact CD1-CE 3.31Å; F82-M115 HydrophobicContact CD1-SD 4.25Å; F82-M115 HydrophobicContact CE1-CE 3.16Å; F82-M115 HydrophobicContact CZ-CE 4.47Å; V84-M115 HydrophobicContact CG1-CE 3.76Å; A113-M115 HydrophobicContact CB-CE 4.28Å; M115-I118 HydrophobicContact CB-CB 4.3Å; M115-I118 HydrophobicContact CB-CD1 4.08Å
116R88.1Confident87.1Confident102 Ų10243.3 Ų43.339%0.38523%0.23SC..EExtended strand (participates in β ladder)trans-103.7-43.2176.1-65-169.9174.7160.59.5112.2R53 S92 F94 I118R53-R116 WeakPolarHBondContact O-CD 3.36Å; R53-R116 WeakPolarHBondContact O-CG 3.5Å; R53-R116 PolarHBondContact O-NE 2.72Å; S92-R116 PolarHBondContact O-N 2.92Å; F94-R116 HydrophobicContact CD1-CG 4.23Å; F94-R116 HydrophobicContact CE1-CG 4.06Å; F94-R116 VanDerWaalsContact CE1-CZ 3.47Å; R116-I118 PolarHBondContact O-N 3.17Å
117N84.8Confident86.7Confident100 Ų10043.1 Ų43.154%0.53522%0.223SC..EExtended strand (participates in β ladder)trans-99.182.4-179.8-63.1-21.4000108.2S92S92-N117 PolarHBondContact O-N 3.3Å; S92-N117 WeakPolarHBondContact OG-CB 3.45Å; S92-N117 PolarHBondContact OG-ND2 2.89Å
118I81.1Confident86.4Confident2 Ų244.6 Ų44.61%0.0123%0.229CC..  trans-122.3-18.2-175.4-161.8171000113.7W48 A50 Y91 M115 R116 N120 Y123W48-I118 HydrophobicContact CE3-CD1 4.14Å; W48-I118 HydrophobicContact CH2-CD1 3.72Å; W48-I118 HydrophobicContact CZ3-CD1 3.26Å; W48-I118 HydrophobicContact CZ3-CG1 4.44Å; A50-I118 HydrophobicContact CB-CD1 3.92Å; Y91-I118 HydrophobicContact CD1-CB 4.45Å; Y91-I118 HydrophobicContact CD1-CG1 3.92Å; Y91-I118 HydrophobicContact CE1-CG1 4.04Å; M115-I118 HydrophobicContact CB-CB 4.3Å; M115-I118 HydrophobicContact CB-CD1 4.08Å; R116-I118 PolarHBondContact O-N 3.17Å; I118-N120 PolarHBondContact O-N 3.47Å; I118-Y123 HydrophobicContact CD1-CD1 4.48Å; I118-Y123 HydrophobicContact CD1-CD2 3.57Å; I118-Y123 HydrophobicContact CD1-CE1 4.27Å; I118-Y123 HydrophobicContact CD1-CE2 3.32Å; I118-Y123 HydrophobicContact CD1-CG 4.15Å; I118-Y123 HydrophobicContact CG1-CD1 4.15Å; I118-Y123 HydrophobicContact CG1-CD2 3.61Å; I118-Y123 HydrophobicContact CG1-CE1 4.38Å; I118-Y123 HydrophobicContact CG1-CE2 3.89Å; I118-Y123 HydrophobicContact CG1-CG 3.75Å; I118-Y123 HydrophobicContact CG2-CD1 4.34Å; I118-Y123 HydrophobicContact CG2-CE1 4.26Å; I118-Y123 WeakPolarHBondContact O-CB 3Å
119F75.5Confident86.2Confident40 Ų4042.8 Ų42.818%0.17522%0.217CC..  trans-77.190.8-175.2-61.9-62.1000111.6D58 F60 C61 F64 F66 Y123 Y124D58-F119 HydrophobicContact CB-CD2 3.89Å; D58-F119 HydrophobicContact CB-CE2 3.59Å; D58-F119 HydrophobicContact CB-CZ 4.49Å; D58-F119 VanDerWaalsContact CG-CD2 3.44Å; D58-F119 WeakPolarHBondContact OD2-CD2 3.39Å; F60-F119 HydrophobicContact CB-CD1 3.81Å; F60-F119 HydrophobicContact CB-CE1 3.39Å; F60-F119 HydrophobicContact CB-CE2 4.45Å; F60-F119 HydrophobicContact CB-CG 4.5Å; F60-F119 HydrophobicContact CB-CZ 3.73Å; F60-F119 HydrophobicContact CG-CE1 4.47Å; C61-F119 HydrophobicContact CB-CE2 4Å; C61-F119 HydrophobicContact CB-CZ 3.86Å; F64-F119 HydrophobicContact CD2-CE1 4.06Å; F64-F119 HydrophobicContact CE2-CE1 4.27Å; F66-F119 HydrophobicContact CE2-CE1 4.31Å; F66-F119 HydrophobicContact CE2-CE2 4.39Å; F66-F119 AromaticContact CE2-CZ 3.57Å; F66-F119 HydrophobicContact CE2-CZ 3.57Å; F66-F119 AromaticContact CZ-CE1 3.79Å; F66-F119 HydrophobicContact CZ-CE1 3.79Å; F66-F119 AromaticContact CZ-CZ 3.54Å; F66-F119 HydrophobicContact CZ-CZ 3.54Å; F119-Y123 HydrophobicContact CD1-CD1 4.31Å; F119-Y123 HydrophobicContact CE1-CE1 4.36Å; F119-Y124 HydrophobicContact CD1-CE1 4.04Å
120N76.1Confident86Confident35 Ų3537.3 Ų37.319%0.18719%0.187CC..SBendtrans-129.8172167.563.428.9000109.6Y91 I118 D122 Y123 Y124Y91-N120 VanDerWaalsContact CE1-ND2 3.26Å; Y91-N120 WeakPolarHBondContact CE1-ND2 3.08Å; Y91-N120 PolarHBondContact OH-ND2 2.9Å; I118-N120 PolarHBondContact O-N 3.47Å; N120-D122 PolarHBondContact O-N 2.86Å; N120-D122 WeakPolarHBondContact OD1-CB 3.46Å; N120-D122 PolarHBondContact OD1-N 2.92Å; N120-D122 VanDerWaalsContact OD1-N 3.13Å; N120-Y123 PolarHBondContact O-N 3.24Å; N120-Y123 PolarHBondContact OD1-N 3.29Å; N120-Y124 WeakPolarHBondContact O-CD2 3.49Å; N120-Y124 PolarHBondContact O-N 2.63Å
121S70.3Confident85.9Confident82 Ų8237.6 Ų37.657%0.57319%0.189SC*.Hα-helixtrans-51.8-37.7179470000113Y124 N125S121-Y124 PolarHBondContact O-N 3.13Å; S121-N125 PolarHBondContact O-ND2 3.49Å; S121-N125 VanDerWaalsContact O-ND2 3.17Å
122D71.8Confident85.9Confident75 Ų7537.1 Ų37.140%0.40119%0.185SC..Hα-helixtrans-69.2-47.3-174.6-55.7-11.2000110S89 N120 Y124 N125 C126S89-D122 WeakPolarHBondContact CB-OD2 3.42Å; S89-D122 PolarHBondContact OG-OD2 2.92Å; N120-D122 PolarHBondContact O-N 2.86Å; N120-D122 WeakPolarHBondContact OD1-CB 3.46Å; N120-D122 PolarHBondContact OD1-N 2.92Å; N120-D122 VanDerWaalsContact OD1-N 3.13Å; D122-Y124 VanDerWaalsContact C-N 3.3Å; D122-Y124 PolarHBondContact O-N 2.77Å; D122-N125 PolarHBondContact O-N 2.87Å; D122-N125 VanDerWaalsContact O-N 3.08Å; D122-C126 PolarHBondContact O-N 2.86Å; D122-C126 PolarHBondContact O-SG 2.82Å; D122-C126 VanDerWaalsContact O-SG 3.35Å
123Y75.1Confident85.8Confident10 Ų1037.1 Ų37.14%0.03919%0.185CC..Hα-helixtrans-62.5-35.2179.8-174.6-105.9000112.8F66 I118 F119 N120 N125 C126F66-Y123 HydrophobicContact CE1-CE1 4.37Å; F66-Y123 WeakPolarHBondContact CE1-OH 3.27Å; F66-Y123 HydrophobicContact CZ-CE1 4.39Å; I118-Y123 HydrophobicContact CD1-CD1 4.48Å; I118-Y123 HydrophobicContact CD1-CD2 3.57Å; I118-Y123 HydrophobicContact CD1-CE1 4.27Å; I118-Y123 HydrophobicContact CD1-CE2 3.32Å; I118-Y123 HydrophobicContact CD1-CG 4.15Å; I118-Y123 HydrophobicContact CG1-CD1 4.15Å; I118-Y123 HydrophobicContact CG1-CD2 3.61Å; I118-Y123 HydrophobicContact CG1-CE1 4.38Å; I118-Y123 HydrophobicContact CG1-CE2 3.89Å; I118-Y123 HydrophobicContact CG1-CG 3.75Å; I118-Y123 HydrophobicContact CG2-CD1 4.34Å; I118-Y123 HydrophobicContact CG2-CE1 4.26Å; I118-Y123 WeakPolarHBondContact O-CB 3Å; F119-Y123 HydrophobicContact CD1-CD1 4.31Å; F119-Y123 HydrophobicContact CE1-CE1 4.36Å; N120-Y123 PolarHBondContact O-N 3.24Å; N120-Y123 PolarHBondContact OD1-N 3.29Å; Y123-N125 PolarHBondContact O-N 3.25Å; Y123-C126 HydrophobicContact CD2-CB 4.43Å; Y123-C126 WeakPolarHBondContact O-CB 3.2Å; Y123-C126 PolarHBondContact O-N 3.25Å
124Y76.2Confident85.8Confident85 Ų8537.3 Ų37.333%0.33319%0.186SC..Hα-helixtrans-63.5-24.3177.6-70-60.5000113.4F60 F64 F119 N120 S121 D122F60-Y124 HydrophobicContact CB-CE1 4.39Å; F60-Y124 AromaticContact CD1-CE1 3.67Å; F60-Y124 HydrophobicContact CD1-CE1 3.67Å; F60-Y124 HydrophobicContact CD2-CE1 4.02Å; F60-Y124 AromaticContact CD2-CZ 3.95Å; F60-Y124 WeakPolarHBondContact CD2-OH 3.3Å; F60-Y124 AromaticContact CE1-CE1 3.88Å; F60-Y124 HydrophobicContact CE1-CE1 3.88Å; F60-Y124 HydrophobicContact CE2-CE1 4.18Å; F60-Y124 AromaticContact CE2-CZ 3.99Å; F60-Y124 VanDerWaalsContact CE2-OH 3.24Å; F60-Y124 WeakPolarHBondContact CE2-OH 3.23Å; F60-Y124 AromaticContact CG-CE1 3.75Å; F60-Y124 HydrophobicContact CG-CE1 3.75Å; F60-Y124 HydrophobicContact CZ-CE1 4.13Å; F64-Y124 HydrophobicContact CE2-CE1 4.4Å; F64-Y124 HydrophobicContact CZ-CD1 4.49Å; F119-Y124 HydrophobicContact CD1-CE1 4.04Å; N120-Y124 WeakPolarHBondContact O-CD2 3.49Å; N120-Y124 PolarHBondContact O-N 2.63Å; S121-Y124 PolarHBondContact O-N 3.13Å; D122-Y124 VanDerWaalsContact C-N 3.3Å; D122-Y124 PolarHBondContact O-N 2.77Å
125N78.4Confident85.8Confident110 Ų11037.4 Ų37.459%0.58819%0.187SC*.Hα-helixtrans-87.7-15.1175.7-66-42.7000112.5Q22 S121 D122 Y123Q22-N125 PolarHBondContact NE2-O 3.41Å; S121-N125 PolarHBondContact O-ND2 3.49Å; S121-N125 VanDerWaalsContact O-ND2 3.17Å; D122-N125 PolarHBondContact O-N 2.87Å; D122-N125 VanDerWaalsContact O-N 3.08Å; Y123-N125 PolarHBondContact O-N 3.25Å
126C84.9Confident86Confident26 Ų2638 Ų3818%0.17619%0.191CC..  trans-70.6140.6176.7-62.80000111.7D122 Y123 Y128D122-C126 PolarHBondContact O-N 2.86Å; D122-C126 PolarHBondContact O-SG 2.82Å; D122-C126 VanDerWaalsContact O-SG 3.35Å; Y123-C126 HydrophobicContact CD2-CB 4.43Å; Y123-C126 WeakPolarHBondContact O-CB 3.2Å; Y123-C126 PolarHBondContact O-N 3.25Å; C126-Y128 HydrophobicContact CB-CD1 4.21Å; C126-Y128 HydrophobicContact CB-CD2 4.46Å; C126-Y128 HydrophobicContact CB-CE1 3.91Å; C126-Y128 HydrophobicContact CB-CE2 4.2Å; C126-Y128 HydrophobicContact CB-CG 4.49Å; C126-Y128 VanDerWaalsContact SG-CZ 3.58Å; C126-Y128 PolarHBondContact SG-OH 2.75Å; C126-Y128 VanDerWaalsContact SG-OH 3.38Å
127K88.5Confident86.3Confident70 Ų7036.4 Ų36.430%0.30419%0.185SC..  trans-103.13.7173.9-57.7-51.3-178.9-161.20113.1F18 Y24 R37F18-K127 HydrophobicContact CB-CG 4.32Å; F18-K127 HydrophobicContact CD1-CG 3.61Å; F18-K127 HydrophobicContact CD2-CG 3.82Å; F18-K127 HydrophobicContact CE1-CD 4.36Å; F18-K127 HydrophobicContact CE1-CG 3.83Å; F18-K127 HydrophobicContact CE2-CD 4.34Å; F18-K127 HydrophobicContact CE2-CG 4.03Å; F18-K127 HydrophobicContact CG-CB 4.43Å; F18-K127 HydrophobicContact CG-CG 3.62Å; F18-K127 HydrophobicContact CZ-CD 4.25Å; F18-K127 HydrophobicContact CZ-CG 4.05Å; Y24-K127 HydrophobicContact CD1-CB 4.38Å; Y24-K127 HydrophobicContact CE1-CB 3.53Å; R37-K127 WeakPolarHBondContact CD-O 3.4Å; R37-K127 PolarHBondContact NE-O 3.01Å; R37-K127 PolarHBondContact NH1-O 2.94Å
128Y90.4Very high86.8Confident32 Ų3238 Ų3813%0.12518%0.184CC..SBendtrans-108.1155.7173.255.8-95.1000111.5Q22 L39 C126 G130 I131Q22-Y128 HydrophobicContact CG-CE1 4.48Å; L39-Y128 HydrophobicContact CB-CD1 3.95Å; L39-Y128 HydrophobicContact CB-CD2 4.03Å; L39-Y128 HydrophobicContact CB-CE1 4.04Å; L39-Y128 HydrophobicContact CB-CE2 4.1Å; L39-Y128 HydrophobicContact CB-CG 3.94Å; L39-Y128 HydrophobicContact CD2-CE1 3.88Å; L39-Y128 HydrophobicContact CD2-CE2 4.28Å; L39-Y128 HydrophobicContact CG-CE1 4.46Å; C126-Y128 HydrophobicContact CB-CD1 4.21Å; C126-Y128 HydrophobicContact CB-CD2 4.46Å; C126-Y128 HydrophobicContact CB-CE1 3.91Å; C126-Y128 HydrophobicContact CB-CE2 4.2Å; C126-Y128 HydrophobicContact CB-CG 4.49Å; C126-Y128 VanDerWaalsContact SG-CZ 3.58Å; C126-Y128 PolarHBondContact SG-OH 2.75Å; C126-Y128 VanDerWaalsContact SG-OH 3.38Å; Y128-G130 WeakPolarHBondContact CD2-O 3.15Å; Y128-I131 HydrophobicContact CD2-CG1 4.44Å; Y128-I131 HydrophobicContact CE2-CD1 4.29Å; Y128-I131 HydrophobicContact CE2-CG1 3.85Å
129D90.7Very high87.5Confident2 Ų242.6 Ų42.61%0.01121%0.207CC..SBendtrans-97.7-11-175.1-50.1-51.1000112.1L36 R37 A50 R65L36-D129 HydrophobicContact CB-CB 4.44Å; L36-D129 HydrophobicContact CD2-CB 4.21Å; R37-D129 WeakPolarHBondContact CB-OD2 3.28Å; R37-D129 IonicContact CZ-OD1 3.86Å; R37-D129 IonicContact CZ-OD2 2.71Å; R37-D129 PolarHBondContact N-OD2 3.42Å; R37-D129 IonicContact NE-OD1 3.06Å; R37-D129 PolarHBondContact NE-OD1 2.86Å; R37-D129 IonicContact NE-OD2 3.74Å; R37-D129 PolarHBondContact NE-OD2 3.15Å; R37-D129 IonicContact NH2-OD1 3.96Å; R37-D129 PolarHBondContact NH2-OD1 3.08Å; R37-D129 IonicContact NH2-OD2 2.63Å; R37-D129 WeakPolarHBondContact O-CA 3.47Å; R37-D129 PolarHBondContact O-N 2.92Å; A50-D129 WeakPolarHBondContact CB-O 3.44Å; A50-D129 PolarHBondContact N-O 3.17Å; R65-D129 WeakPolarHBondContact O-CB 3.42Å
130G93.3Very high88.4Confident0 Ų041 Ų410%020%0.201CC..EExtended strand (participates in β ladder)trans-172.7-175.4174.500000114.4R37 V38 L39 W48 Y128R37-G130 PolarHBondContact O-N 3.07Å; V38-G130 VanDerWaalsContact CA-O 3.32Å; V38-G130 WeakPolarHBondContact CA-O 3.4Å; L39-G130 PolarHBondContact N-O 2.73Å; W48-G130 CarbonylContact O-C 3.53Å; W48-G130 VanDerWaalsContact O-CA 3.24Å; W48-G130 WeakPolarHBondContact O-CA 3.16Å; Y128-G130 WeakPolarHBondContact CD2-O 3.15Å
131I95.7Very high89.2Confident7 Ų746.2 Ų46.24%0.03622%0.224CC..EExtended strand (participates in β ladder)trans-123.7138.2-179.3-64.3-176.9000109.2L39 D41 T47 W48 Y86 Y128L39-I131 HydrophobicContact CB-CG1 4.28Å; L39-I131 HydrophobicContact CD2-CD1 4.32Å; L39-I131 HydrophobicContact CD2-CG1 4.35Å; L39-I131 CarbonylContact O-C 3.35Å; L39-I131 WeakPolarHBondContact O-CA 3.36Å; D41-I131 HydrophobicContact CB-CG2 3.52Å; T47-I131 CarbonylContact C-O 3.53Å; T47-I131 VanDerWaalsContact CA-O 3.32Å; T47-I131 WeakPolarHBondContact CA-O 3.19Å; W48-I131 HydrophobicContact CD2-CB 4.33Å; W48-I131 HydrophobicContact CH2-CD1 4.36Å; W48-I131 HydrophobicContact CH2-CG1 4.1Å; W48-I131 HydrophobicContact CZ2-CB 4.02Å; W48-I131 HydrophobicContact CZ2-CD1 3.36Å; W48-I131 HydrophobicContact CZ2-CG1 3.4Å; W48-I131 VanDerWaalsContact CZ2-CG1 3.4Å; W48-I131 PolarHBondContact N-O 2.83Å; W48-I131 PolarHBondContact O-N 3.02Å; Y86-I131 HydrophobicContact CE1-CD1 4.3Å; Y86-I131 HydrophobicContact CE2-CD1 4.33Å; Y128-I131 HydrophobicContact CD2-CG1 4.44Å; Y128-I131 HydrophobicContact CE2-CD1 4.29Å; Y128-I131 HydrophobicContact CE2-CG1 3.85Å
132I98Very high90.3Very high0 Ų046.7 Ų46.70%021%0.214CC..EExtended strand (participates in β ladder)trans-105.4109.2161.3-69.7175.1000107.5I27 V38 L39 F40 D41 T47 F49 M134 M147I27-I132 HydrophobicContact CD1-CD1 3.93Å; I27-I132 HydrophobicContact CG2-CD1 4.29Å; V38-I132 HydrophobicContact CB-CD1 4.46Å; V38-I132 HydrophobicContact CB-CG1 4.42Å; V38-I132 HydrophobicContact CG2-CD1 3.96Å; V38-I132 HydrophobicContact CG2-CG1 4.42Å; L39-I132 PolarHBondContact O-N 2.93Å; F40-I132 HydrophobicContact CD1-CB 3.94Å; F40-I132 HydrophobicContact CD1-CD1 4.08Å; F40-I132 HydrophobicContact CD1-CG2 4.1Å; F40-I132 HydrophobicContact CE1-CB 4.3Å; F40-I132 HydrophobicContact CE1-CD1 3.53Å; F40-I132 HydrophobicContact CE1-CG1 4.45Å; F40-I132 HydrophobicContact CE1-CG2 4.44Å; F40-I132 HydrophobicContact CZ-CD1 4.26Å; D41-I132 PolarHBondContact N-O 2.74Å; T47-I132 HydrophobicContact CG2-CG1 3.83Å; F49-I132 HydrophobicContact CE1-CG1 4.43Å; I132-M134 HydrophobicContact CG2-CG 4.1Å; I132-M134 PolarHBondContact O-N 3.17Å; I132-M147 HydrophobicContact CD1-CE 3.67Å; I132-M147 HydrophobicContact CG1-CE 3.9Å; I132-M147 HydrophobicContact CG2-CB 3.65Å; I132-M147 HydrophobicContact CG2-CE 3.98Å; I132-M147 HydrophobicContact CG2-CG 3.76Å
133G97.6Very high91.5Very high0 Ų045.6 Ų45.60%022%0.22CC..EExtended strand (participates in β ladder)trans-63.6129.4170.600000112.1D41 S44 D46D41-G133 CarbonylContact O-C 3.53Å; S44-G133 CarbonylContact O-C 3.58Å; S44-G133 WeakPolarHBondContact O-CA 3.39Å; D46-G133 PolarHBondContact O-N 2.89Å; D46-G133 VanDerWaalsContact O-N 3.09Å
134M97.5Very high92.5Very high4 Ų446.6 Ų46.62%0.0223%0.226CC..  trans-127.123.8-176.4-64-158.374.600112.5F40 D41 T42 S44 I132 F148 F162 F164 L178 L180 W203F40-M134 HydrophobicContact CB-CG 4.45Å; F40-M134 HydrophobicContact CB-SD 3.71Å; F40-M134 HydrophobicContact CD1-SD 3.76Å; F40-M134 HydrophobicContact CG-SD 4.15Å; D41-M134 PolarHBondContact O-N 3.11Å; T42-M134 HydrophobicContact CG2-CB 3.95Å; S44-M134 PolarHBondContact O-N 3.5Å; I132-M134 HydrophobicContact CG2-CG 4.1Å; I132-M134 PolarHBondContact O-N 3.17Å; M134-F148 HydrophobicContact CE-CD2 4.34Å; M134-F162 HydrophobicContact CB-CE2 4.32Å; M134-F162 HydrophobicContact CB-CZ 4.16Å; M134-F162 HydrophobicContact CE-CB 4.35Å; M134-F162 HydrophobicContact CE-CD1 3.91Å; M134-F162 HydrophobicContact CE-CD2 3.6Å; M134-F162 HydrophobicContact CE-CE1 4.05Å; M134-F162 HydrophobicContact CE-CE2 3.75Å; M134-F162 HydrophobicContact CE-CG 3.68Å; M134-F162 HydrophobicContact CE-CZ 3.97Å; M134-F162 WeakPolarHBondContact O-CZ 3.35Å; M134-F162 HydrophobicContact SD-CD2 4.49Å; M134-F162 HydrophobicContact SD-CE2 4.38Å; M134-F164 HydrophobicContact SD-CE2 4.36Å; M134-F164 HydrophobicContact SD-CZ 4.12Å; M134-L178 HydrophobicContact CE-CD1 4.42Å; M134-L178 HydrophobicContact SD-CD2 4.3Å; M134-L180 HydrophobicContact CE-CD2 3.94Å; M134-W203 PolarHBondContact O-NE1 3.32Å
135S96.5Very high93.5Very high3 Ų346.6 Ų46.62%0.02123%0.231CC..  trans-55.8169172.574.80000113.4S44 I45 R137 Y201 W203S44-S135 VanDerWaalsContact O-CB 3.28Å; S44-S135 WeakPolarHBondContact O-CB 3Å; S44-S135 PolarHBondContact O-N 3.46Å; I45-S135 WeakPolarHBondContact CG1-OG 3.33Å; S135-R137 PolarHBondContact O-N 3.02Å; S135-R137 PolarHBondContact OG-N 3.21Å; S135-Y201 WeakPolarHBondContact CB-O 3.38Å; S135-W203 VanDerWaalsContact C-NE1 3.29Å
136S95.5Very high94.4Very high13 Ų1341.6 Ų41.69%0.09121%0.205CC..SBendtrans-77.32.6176.363.50000114.2N200 Y201 M202 F327S136-N200 CarbonylContact C-O 3.51Å; S136-N200 VanDerWaalsContact O-O 3.13Å; S136-Y201 VanDerWaalsContact OG-C 3.22Å; S136-Y201 PolarHBondContact OG-N 3.08Å; S136-M202 WeakPolarHBondContact OG-CA 3.45Å; S136-M202 PolarHBondContact OG-N 2.88Å; S136-M202 PolarHBondContact OG-O 3.35Å; S136-F327 VanDerWaalsContact O-CE2 3.26Å; S136-F327 WeakPolarHBondContact O-CE2 3.28Å
137R95.1Very high95Very high68 Ų6840.5 Ų40.526%0.25720%0.197SC..  trans-75.5141.1-177.8-151.7176-178.7165.50.3111.5I45 S135 I139 E141I45-R137 HydrophobicContact CD1-CB 4.5Å; I45-R137 HydrophobicContact CG1-CB 4.07Å; I45-R137 HydrophobicContact CG2-CB 4.28Å; S135-R137 PolarHBondContact O-N 3.02Å; S135-R137 PolarHBondContact OG-N 3.21Å; R137-I139 WeakPolarHBondContact CD-O 2.96Å; R137-I139 WeakPolarHBondContact CG-O 3.36Å; R137-I139 PolarHBondContact NE-O 3.37Å; R137-E141 IonicContact NH1-OE1 2.99Å; R137-E141 PolarHBondContact NH1-OE1 3.07Å
138R95.2Very high95.3Very high135 Ų13537.2 Ų37.251%0.50918%0.183SC..SBendtrans-89.5-23.4178.6-72.5179.5179.7-94.6-3.2114.4P146 F327R138-P146 VanDerWaalsContact O-CD 3.25Å; R138-P146 WeakPolarHBondContact O-CD 3.27Å; R138-F327 HydrophobicContact CG-CE1 3.93Å; R138-F327 HydrophobicContact CG-CZ 3.62Å; R138-F327 VanDerWaalsContact CZ-CE1 3.47Å
139I95.5Very high95.6Very high97 Ų9736.4 Ų36.450%0.49718%0.181SC..SBendtrans-143.6132.3-177.8-55.6179.1000107.4R137R137-I139 WeakPolarHBondContact CD-O 2.96Å; R137-I139 WeakPolarHBondContact CG-O 3.36Å; R137-I139 PolarHBondContact NE-O 3.37Å
140S93.9Very high95.9Very high6 Ų637 Ų374%0.04219%0.185CC..  trans-68.2170.7174.564.70000112.6D46 Y142 G143 N144D46-S140 WeakPolarHBondContact OD1-CB 3.43Å; S140-Y142 PolarHBondContact O-N 2.73Å; S140-Y142 PolarHBondContact OG-N 3.46Å; S140-G143 PolarHBondContact O-N 3.13Å; S140-G143 VanDerWaalsContact O-N 3.12Å; S140-G143 PolarHBondContact OG-N 3.14Å; S140-N144 WeakPolarHBondContact CB-O 3.43Å; S140-N144 PolarHBondContact N-O 2.99Å; S140-N144 WeakPolarHBondContact OG-CA 3.37Å; S140-N144 WeakPolarHBondContact OG-CB 3.4Å; S140-N144 PolarHBondContact OG-N 3.38Å; S140-N144 PolarHBondContact OG-O 3.06Å
141E92.6Very high96Very high146 Ų14637.1 Ų37.168%0.68219%0.185SC*.THydrogen-bonded Turntrans-65.1-24.3174.3-59.1-166.6162.200112.6R137 G143R137-E141 IonicContact NH1-OE1 2.99Å; R137-E141 PolarHBondContact NH1-OE1 3.07Å; E141-G143 VanDerWaalsContact C-N 3.3Å
142Y95.1Very high95.9Very high92 Ų9238.9 Ų38.936%0.36120%0.195SC..THydrogen-bonded Turntrans-873.2176.8-63.7-89.7000113.1S81 F82 H83 W95 S140 N144S81-Y142 WeakPolarHBondContact O-CE1 3.45Å; F82-Y142 AromaticContact CD2-CD2 3.77Å; F82-Y142 HydrophobicContact CD2-CD2 3.77Å; F82-Y142 HydrophobicContact CD2-CE1 4.27Å; F82-Y142 AromaticContact CD2-CE2 3.39Å; F82-Y142 HydrophobicContact CD2-CE2 3.39Å; F82-Y142 HydrophobicContact CD2-CG 4.37Å; F82-Y142 AromaticContact CD2-CZ 3.67Å; F82-Y142 AromaticContact CE2-CD2 3.76Å; F82-Y142 HydrophobicContact CE2-CD2 3.76Å; F82-Y142 AromaticContact CE2-CE2 3.38Å; F82-Y142 HydrophobicContact CE2-CE2 3.38Å; H83-Y142 PolarHBondContact N-OH 3.02Å; H83-Y142 PolarHBondContact O-OH 2.98Å; W95-Y142 AromaticContact CE2-CG 3.91Å; W95-Y142 AromaticContact CZ2-CD2 3.73Å; W95-Y142 HydrophobicContact CZ2-CD2 3.73Å; W95-Y142 AromaticContact CZ2-CG 3.81Å; W95-Y142 HydrophobicContact CZ2-CG 3.81Å; W95-Y142 AromaticContact NE1-CD1 3.5Å; W95-Y142 AromaticContact NE1-CG 3.44Å; S140-Y142 PolarHBondContact O-N 2.73Å; S140-Y142 PolarHBondContact OG-N 3.46Å; Y142-N144 VanDerWaalsContact C-N 3.25Å; Y142-N144 PolarHBondContact O-N 3.25Å
143G95.4Very high95.7Very high52 Ų5242.5 Ų42.554%0.53622%0.224SC..SBendtrans81-2.1-179.600000114.9S140 E141S140-G143 PolarHBondContact O-N 3.13Å; S140-G143 VanDerWaalsContact O-N 3.12Å; S140-G143 PolarHBondContact OG-N 3.14Å; E141-G143 VanDerWaalsContact C-N 3.3Å
144N96.5Very high95.2Very high31 Ų3145.6 Ų45.617%0.16624%0.241CC..PPolyproline II helixtrans-77149176.3-70.7-47.7000112.3W95 A111 S140 Y142 P146W95-N144 VanDerWaalsContact CE2-ND2 3.25Å; W95-N144 VanDerWaalsContact CE3-ND2 3.32Å; W95-N144 HydrophobicContact CH2-CB 4.16Å; W95-N144 HydrophobicContact CZ3-CB 4.16Å; A111-N144 HydrophobicContact CB-CB 3.87Å; S140-N144 WeakPolarHBondContact CB-O 3.43Å; S140-N144 PolarHBondContact N-O 2.99Å; S140-N144 WeakPolarHBondContact OG-CA 3.37Å; S140-N144 WeakPolarHBondContact OG-CB 3.4Å; S140-N144 PolarHBondContact OG-N 3.38Å; S140-N144 PolarHBondContact OG-O 3.06Å; Y142-N144 VanDerWaalsContact C-N 3.25Å; Y142-N144 PolarHBondContact O-N 3.25Å; N144-P146 WeakPolarHBondContact O-CD 3.37Å
145I97.1Very high93.9Very high84 Ų8448.7 Ų48.743%0.43127%0.274SS..PPolyproline II helixtrans-81.9119.7177.1-57.5178.1000109.3Q110 P149 N150Q110-I145 PolarHBondContact NE2-O 3.02Å; I145-P149 HydrophobicContact CG2-CB 3.76Å; I145-N150 HydrophobicContact CG2-CB 3.91Å
146P97.4Very high93.1Very high6 Ų650.2 Ų50.24%0.03928%0.283CS..PPolyproline II helixtrans-63.2163.8175.5-22.635.3000112.6I45 R138 N144 F148 P149 N150I45-P146 HydrophobicContact CG2-CB 4.42Å; I45-P146 HydrophobicContact CG2-CG 3.71Å; R138-P146 VanDerWaalsContact O-CD 3.25Å; R138-P146 WeakPolarHBondContact O-CD 3.27Å; N144-P146 WeakPolarHBondContact O-CD 3.37Å; P146-F148 PolarHBondContact O-N 2.61Å; P146-P149 HydrophobicContact CB-CG 4.2Å; P146-P149 HydrophobicContact CG-CG 4.45Å; P146-P149 VanDerWaalsContact O-CD 3.3Å; P146-P149 WeakPolarHBondContact O-CD 3.41Å; P146-N150 PolarHBondContact O-N 2.83Å
147M96.7Very high92.8Very high2 Ų253.9 Ų53.91%0.0130%0.302CS..Hα-helixtrans-53.8-55.8-172.6-176.972.36800113.3T47 I100 I107 Q110 I132 N150 I151T47-M147 HydrophobicContact CG2-CE 4.15Å; I100-M147 HydrophobicContact CB-CE 4.36Å; I100-M147 HydrophobicContact CD1-CE 3.57Å; I100-M147 HydrophobicContact CG2-CE 4.04Å; I107-M147 HydrophobicContact CD1-SD 4.35Å; I107-M147 HydrophobicContact CG1-SD 4.34Å; I107-M147 HydrophobicContact CG2-SD 4.37Å; Q110-M147 HydrophobicContact CG-CE 3.86Å; Q110-M147 HydrophobicContact CG-SD 4Å; I132-M147 HydrophobicContact CD1-CE 3.67Å; I132-M147 HydrophobicContact CG1-CE 3.9Å; I132-M147 HydrophobicContact CG2-CB 3.65Å; I132-M147 HydrophobicContact CG2-CE 3.98Å; I132-M147 HydrophobicContact CG2-CG 3.76Å; M147-N150 PolarHBondContact O-N 3.23Å; M147-N150 VanDerWaalsContact O-N 3.11Å; M147-I151 HydrophobicContact CG-CD1 3.95Å; M147-I151 WeakPolarHBondContact O-CG1 3.21Å; M147-I151 PolarHBondContact O-N 3.22Å
148F96.5Very high92.6Very high2 Ų251.4 Ų51.41%0.00929%0.293CS..Hα-helixtrans-65.1-44.9-173.8-166.9-109.3000113M134 P146 N150 I151 L152 I161 F162 L180 F327M134-F148 HydrophobicContact CE-CD2 4.34Å; P146-F148 PolarHBondContact O-N 2.61Å; F148-N150 VanDerWaalsContact C-N 3.29Å; F148-N150 PolarHBondContact O-N 2.81Å; F148-I151 HydrophobicContact CD2-CD1 4.32Å; F148-I151 WeakPolarHBondContact O-CB 3.48Å; F148-I151 PolarHBondContact O-N 2.99Å; F148-L152 HydrophobicContact CD1-CD1 4.11Å; F148-L152 HydrophobicContact CE1-CD1 3.77Å; F148-L152 HydrophobicContact CE1-CD2 4.43Å; F148-L152 HydrophobicContact CE1-CG 4.23Å; F148-L152 HydrophobicContact CZ-CD1 4.35Å; F148-L152 HydrophobicContact CZ-CD2 4.18Å; F148-L152 HydrophobicContact CZ-CG 4.39Å; F148-L152 WeakPolarHBondContact O-CG 3.21Å; F148-L152 PolarHBondContact O-N 2.89Å; F148-L152 VanDerWaalsContact O-N 3.13Å; F148-I161 WeakPolarHBondContact CZ-O 3.41Å; F148-F162 AromaticContact CD1-CD1 3.83Å; F148-F162 HydrophobicContact CD1-CD1 3.83Å; F148-F162 AromaticContact CD1-CE1 3.88Å; F148-F162 HydrophobicContact CD1-CE1 3.88Å; F148-F162 AromaticContact CD2-CD1 3.84Å; F148-F162 HydrophobicContact CD2-CD1 3.84Å; F148-F162 HydrophobicContact CD2-CE1 4.44Å; F148-F162 AromaticContact CE1-CD1 3.7Å; F148-F162 HydrophobicContact CE1-CD1 3.7Å; F148-F162 HydrophobicContact CE1-CE1 4.1Å; F148-F162 HydrophobicContact CE2-CB 4.14Å; F148-F162 AromaticContact CE2-CD1 3.73Å; F148-F162 HydrophobicContact CE2-CD1 3.73Å; F148-F162 HydrophobicContact CE2-CG 4.36Å; F148-F162 AromaticContact CG-CD1 3.9Å; F148-F162 HydrophobicContact CG-CD1 3.9Å; F148-F162 HydrophobicContact CG-CE1 4.06Å; F148-F162 HydrophobicContact CZ-CB 4.44Å; F148-F162 AromaticContact CZ-CD1 3.66Å; F148-F162 HydrophobicContact CZ-CD1 3.66Å; F148-F162 HydrophobicContact CZ-CE1 4.5Å; F148-L180 HydrophobicContact CD2-CD2 4.03Å; F148-L180 HydrophobicContact CE2-CD2 4.05Å; F148-F327 HydrophobicContact CD1-CB 4.05Å; F148-F327 HydrophobicContact CD1-CD1 4.44Å; F148-F327 AromaticContact CD1-CD2 3.94Å; F148-F327 HydrophobicContact CD1-CD2 3.94Å; F148-F327 AromaticContact CD1-CG 3.92Å; F148-F327 HydrophobicContact CD1-CG 3.92Å; F148-F327 HydrophobicContact CE1-CB 3.63Å; F148-F327 HydrophobicContact CE1-CD1 4.48Å; F148-F327 HydrophobicContact CE1-CD2 4.4Å; F148-F327 AromaticContact CE1-CG 3.97Å; F148-F327 HydrophobicContact CE1-CG 3.97Å
149P96Very high92.6Very high14 Ų1447.7 Ų47.79%0.09128%0.282CS..Hα-helixtrans-53.6-40.9167.7-28.635000114.4I145 P146 L152 A153 F327I145-P149 HydrophobicContact CG2-CB 3.76Å; P146-P149 HydrophobicContact CB-CG 4.2Å; P146-P149 HydrophobicContact CG-CG 4.45Å; P146-P149 VanDerWaalsContact O-CD 3.3Å; P146-P149 WeakPolarHBondContact O-CD 3.41Å; P149-L152 PolarHBondContact O-N 2.94Å; P149-A153 WeakPolarHBondContact O-CB 3.04Å; P149-A153 PolarHBondContact O-N 2.71Å; P149-F327 HydrophobicContact CG-CE1 4.49Å; P149-F327 HydrophobicContact CG-CE2 4.34Å; P149-F327 HydrophobicContact CG-CZ 3.79Å
150N96.7Very high92.6Very high16 Ų1645 Ų459%0.08627%0.27CS..Hα-helixtrans-68.7-38.1178.7-164.927.1000111.9I107 P108 Q110 I145 P146 M147 F148 L152 A153 N154I107-N150 HydrophobicContact CG2-CB 4.35Å; I107-N150 VanDerWaalsContact CG2-ND2 3.34Å; I107-N150 WeakPolarHBondContact CG2-ND2 3.41Å; P108-N150 PolarHBondContact O-ND2 3.05Å; Q110-N150 PolarHBondContact OE1-ND2 2.83Å; I145-N150 HydrophobicContact CG2-CB 3.91Å; P146-N150 PolarHBondContact O-N 2.83Å; M147-N150 PolarHBondContact O-N 3.23Å; M147-N150 VanDerWaalsContact O-N 3.11Å; F148-N150 VanDerWaalsContact C-N 3.29Å; F148-N150 PolarHBondContact O-N 2.81Å; N150-L152 VanDerWaalsContact C-N 3.31Å; N150-L152 PolarHBondContact O-N 2.95Å; N150-A153 PolarHBondContact O-N 2.94Å; N150-N154 PolarHBondContact O-N 2.94Å; N150-N154 PolarHBondContact O-ND2 3.31Å; N150-N154 PolarHBondContact OD1-ND2 3.18Å
151I95.4Very high92.7Very high2 Ų244.8 Ų44.81%0.0127%0.269CS..Hα-helixtrans-54.4-50172-70.9165.7000110.3L105 I107 M147 F148 A153 N154 V156 M158 L180L105-I151 HydrophobicContact CD2-CD1 3.98Å; L105-I151 HydrophobicContact CD2-CG1 4.03Å; L105-I151 HydrophobicContact CD2-CG2 3.99Å; I107-I151 HydrophobicContact CD1-CG1 4.37Å; I107-I151 HydrophobicContact CG1-CD1 4.37Å; I107-I151 HydrophobicContact CG1-CG1 3.64Å; I107-I151 HydrophobicContact CG2-CG1 4.49Å; M147-I151 HydrophobicContact CG-CD1 3.95Å; M147-I151 WeakPolarHBondContact O-CG1 3.21Å; M147-I151 PolarHBondContact O-N 3.22Å; F148-I151 HydrophobicContact CD2-CD1 4.32Å; F148-I151 WeakPolarHBondContact O-CB 3.48Å; F148-I151 PolarHBondContact O-N 2.99Å; I151-A153 VanDerWaalsContact C-N 3.31Å; I151-A153 PolarHBondContact O-N 3.29Å; I151-N154 PolarHBondContact O-N 2.59Å; I151-V156 WeakPolarHBondContact O-CG2 3.1Å; I151-M158 HydrophobicContact CG2-SD 4.08Å; I151-L180 HydrophobicContact CD1-CD1 4.09Å
152L93.8Very high93Very high44 Ų4437.8 Ų37.823%0.2324%0.236CC..Hα-helixtrans-65.6-34.5179.8-60.9176.8000112.3F148 P149 N150 P160 F327F148-L152 HydrophobicContact CD1-CD1 4.11Å; F148-L152 HydrophobicContact CE1-CD1 3.77Å; F148-L152 HydrophobicContact CE1-CD2 4.43Å; F148-L152 HydrophobicContact CE1-CG 4.23Å; F148-L152 HydrophobicContact CZ-CD1 4.35Å; F148-L152 HydrophobicContact CZ-CD2 4.18Å; F148-L152 HydrophobicContact CZ-CG 4.39Å; F148-L152 WeakPolarHBondContact O-CG 3.21Å; F148-L152 PolarHBondContact O-N 2.89Å; F148-L152 VanDerWaalsContact O-N 3.13Å; P149-L152 PolarHBondContact O-N 2.94Å; N150-L152 VanDerWaalsContact C-N 3.31Å; N150-L152 PolarHBondContact O-N 2.95Å; L152-P160 HydrophobicContact CD1-CB 3.93Å; L152-P160 HydrophobicContact CD2-CB 4.28Å; L152-F327 HydrophobicContact CD1-CD1 4.06Å; L152-F327 HydrophobicContact CD1-CE1 4.45Å
153A92.7Very high93.1Very high75 Ų7533.4 Ų33.462%0.6222%0.219SC*.Hα-helixtrans-72.6-25.6179.900000113.5P149 N150 I151 G155P149-A153 WeakPolarHBondContact O-CB 3.04Å; P149-A153 PolarHBondContact O-N 2.71Å; N150-A153 PolarHBondContact O-N 2.94Å; I151-A153 VanDerWaalsContact C-N 3.31Å; I151-A153 PolarHBondContact O-N 3.29Å; A153-G155 PolarHBondContact O-N 2.96Å
154N87.4Confident93.3Very high65 Ų6531.1 Ų31.135%0.34819%0.194SC..THydrogen-bonded Turntrans-77.418.4-179.3-83.2-78.3000114.1P108 N150 I151 V156P108-N154 VanDerWaalsContact CG-OD1 3.25Å; P108-N154 WeakPolarHBondContact CG-OD1 3.45Å; N150-N154 PolarHBondContact O-N 2.94Å; N150-N154 PolarHBondContact O-ND2 3.31Å; N150-N154 PolarHBondContact OD1-ND2 3.18Å; I151-N154 PolarHBondContact O-N 2.59Å; N154-V156 PolarHBondContact O-N 2.79Å
155G70.6Confident93.3Very high70 Ų7030.2 Ų30.272%0.72219%0.189SC*.THydrogen-bonded Turntrans70.517.4173.300000114.3A153 N157A153-G155 PolarHBondContact O-N 2.96Å; G155-N157 PolarHBondContact O-N 2.01Å
156V80.8Confident93.2Very high35 Ų3526.3 Ų26.321%0.21217%0.169CC..  trans-68.4121.9174.5-169.70000107.6T9 L105 I151 N154 M158T9-V156 WeakPolarHBondContact OG1-CG1 3.31Å; L105-V156 HydrophobicContact CD1-CG1 4.22Å; L105-V156 HydrophobicContact CD1-CG2 3.86Å; I151-V156 WeakPolarHBondContact O-CG2 3.1Å; N154-V156 PolarHBondContact O-N 2.79Å; V156-M158 HydrophobicContact CB-CB 4.32Å; V156-M158 HydrophobicContact CG1-CB 3.9Å; V156-M158 HydrophobicContact CG1-CE 4.26Å; V156-M158 PolarHBondContact O-N 3.42Å
157N88.5Confident93Very high90 Ų9026.6 Ų26.648%0.48117%0.17SC..  trans-72.677.9176.7-171.142000109.5Q7 N8 T9 G155Q7-N157 PolarHBondContact O-ND2 3.4Å; N8-N157 CarbonylContact C-O 3.4Å; N8-N157 WeakPolarHBondContact CA-O 3.37Å; T9-N157 PolarHBondContact N-O 3.09Å; T9-N157 PolarHBondContact OG1-O 3.05Å; G155-N157 PolarHBondContact O-N 2.01Å
158M91.4Very high92.5Very high15 Ų1527.7 Ų27.77%0.07417%0.174CC..  trans-132.3138-169.1-174.7176.5-83.300109.1I151 V156 L180 G181I151-M158 HydrophobicContact CG2-SD 4.08Å; V156-M158 HydrophobicContact CB-CB 4.32Å; V156-M158 HydrophobicContact CG1-CB 3.9Å; V156-M158 HydrophobicContact CG1-CE 4.26Å; V156-M158 PolarHBondContact O-N 3.42Å; M158-L180 HydrophobicContact CE-CB 3.82Å; M158-L180 WeakPolarHBondContact CE-O 3.33Å; M158-L180 VanDerWaalsContact SD-C 3.55Å; M158-L180 HydrophobicContact SD-CB 3.86Å; M158-G181 WeakPolarHBondContact SD-CA 3.33Å; M158-G181 PolarHBondContact SD-N 2.94Å; M158-G181 VanDerWaalsContact SD-N 3.37Å
159E94Very high91.5Very high58 Ų5829.2 Ų29.227%0.27119%0.19SC..  trans-60.6142.1169.6-72.3-72.6140.200109.7Y2 N8 I161Y2-E159 WeakPolarHBondContact OH-CG 3.3Å; N8-E159 HydrophobicContact CB-CG 4.37Å; N8-E159 WeakPolarHBondContact ND2-CG 3.19Å; N8-E159 PolarHBondContact ND2-OE1 2.86Å; E159-I161 HydrophobicContact CB-CD1 4.48Å; E159-I161 HydrophobicContact CB-CG1 3.99Å; E159-I161 PolarHBondContact O-N 2.82Å
160P95.5Very high89.9Confident40 Ų4034.7 Ų34.726%0.2623%0.229SC..SBendtrans-76.650.6178.735.2-38.4000111.1L152 F327 G328L152-P160 HydrophobicContact CD1-CB 3.93Å; L152-P160 HydrophobicContact CD2-CB 4.28Å; P160-F327 WeakPolarHBondContact O-CA 3.48Å; P160-F327 WeakPolarHBondContact O-CB 3.4Å; P160-F327 PolarHBondContact O-N 2.96Å; P160-G328 PolarHBondContact O-N 2.91Å
161I96.9Very high88.2Confident1 Ų138 Ų381%0.00527%0.266CS..EExtended strand (participates in β ladder)trans-132.4154.8177.575.5174.4000109.7Y2 F148 E159 G181 V324 F325 D326Y2-I161 HydrophobicContact CE2-CD1 4.32Å; Y2-I161 WeakPolarHBondContact OH-CD1 3.48Å; F148-I161 WeakPolarHBondContact CZ-O 3.41Å; E159-I161 HydrophobicContact CB-CD1 4.48Å; E159-I161 HydrophobicContact CB-CG1 3.99Å; E159-I161 PolarHBondContact O-N 2.82Å; I161-G181 WeakPolarHBondContact O-CA 3.43Å; I161-G181 PolarHBondContact O-N 3.07Å; I161-V324 HydrophobicContact CB-CG1 4.32Å; I161-V324 HydrophobicContact CD1-CG1 4.27Å; I161-F325 VanDerWaalsContact CA-O 3.27Å; I161-F325 WeakPolarHBondContact CA-O 3.41Å; I161-D326 HydrophobicContact CG2-CB 3.98Å
162F97.8Very high86.9Confident0 Ų040.9 Ų40.90%029%0.287CS..EExtended strand (participates in β ladder)trans-139.9160.7161.857-88000109.2T42 M134 F148 F164 L178 V179 L180 W203 F325T42-F162 HydrophobicContact CG2-CE2 3.82Å; T42-F162 HydrophobicContact CG2-CZ 4.27Å; M134-F162 HydrophobicContact CB-CE2 4.32Å; M134-F162 HydrophobicContact CB-CZ 4.16Å; M134-F162 HydrophobicContact CE-CB 4.35Å; M134-F162 HydrophobicContact CE-CD1 3.91Å; M134-F162 HydrophobicContact CE-CD2 3.6Å; M134-F162 HydrophobicContact CE-CE1 4.05Å; M134-F162 HydrophobicContact CE-CE2 3.75Å; M134-F162 HydrophobicContact CE-CG 3.68Å; M134-F162 HydrophobicContact CE-CZ 3.97Å; M134-F162 WeakPolarHBondContact O-CZ 3.35Å; M134-F162 HydrophobicContact SD-CD2 4.49Å; M134-F162 HydrophobicContact SD-CE2 4.38Å; F148-F162 AromaticContact CD1-CD1 3.83Å; F148-F162 HydrophobicContact CD1-CD1 3.83Å; F148-F162 AromaticContact CD1-CE1 3.88Å; F148-F162 HydrophobicContact CD1-CE1 3.88Å; F148-F162 AromaticContact CD2-CD1 3.84Å; F148-F162 HydrophobicContact CD2-CD1 3.84Å; F148-F162 HydrophobicContact CD2-CE1 4.44Å; F148-F162 AromaticContact CE1-CD1 3.7Å; F148-F162 HydrophobicContact CE1-CD1 3.7Å; F148-F162 HydrophobicContact CE1-CE1 4.1Å; F148-F162 HydrophobicContact CE2-CB 4.14Å; F148-F162 AromaticContact CE2-CD1 3.73Å; F148-F162 HydrophobicContact CE2-CD1 3.73Å; F148-F162 HydrophobicContact CE2-CG 4.36Å; F148-F162 AromaticContact CG-CD1 3.9Å; F148-F162 HydrophobicContact CG-CD1 3.9Å; F148-F162 HydrophobicContact CG-CE1 4.06Å; F148-F162 HydrophobicContact CZ-CB 4.44Å; F148-F162 AromaticContact CZ-CD1 3.66Å; F148-F162 HydrophobicContact CZ-CD1 3.66Å; F148-F162 HydrophobicContact CZ-CE1 4.5Å; F162-F164 HydrophobicContact CD2-CD2 4.18Å; F162-F164 AromaticContact CD2-CE2 3.73Å; F162-F164 HydrophobicContact CD2-CE2 3.73Å; F162-F164 HydrophobicContact CE2-CD2 4.47Å; F162-F164 AromaticContact CE2-CE2 3.89Å; F162-F164 HydrophobicContact CE2-CE2 3.89Å; F162-L178 HydrophobicContact CB-CD1 4.17Å; F162-L178 HydrophobicContact CD2-CD1 4.28Å; F162-V179 CarbonylContact C-O 3.38Å; F162-V179 WeakPolarHBondContact CA-O 3.39Å; F162-V179 WeakPolarHBondContact CB-O 3.29Å; F162-L180 HydrophobicContact CB-CD2 4Å; F162-W203 AromaticContact CE1-CZ2 3.85Å; F162-W203 HydrophobicContact CE1-CZ2 3.85Å; F162-W203 AromaticContact CZ-CZ2 3.76Å; F162-W203 HydrophobicContact CZ-CZ2 3.76Å; F162-W203 AromaticContact CZ-NE1 3.91Å; F162-F325 HydrophobicContact CD1-CB 4.13Å; F162-F325 HydrophobicContact CD2-CB 3.77Å; F162-F325 AromaticContact CD2-CD2 3.7Å; F162-F325 HydrophobicContact CD2-CD2 3.7Å; F162-F325 HydrophobicContact CD2-CG 4.01Å; F162-F325 HydrophobicContact CE1-CB 3.74Å; F162-F325 HydrophobicContact CE2-CB 3.33Å; F162-F325 HydrophobicContact CE2-CD1 4.21Å; F162-F325 AromaticContact CE2-CD2 3.33Å; F162-F325 HydrophobicContact CE2-CD2 3.33Å; F162-F325 HydrophobicContact CE2-CE2 4.14Å; F162-F325 AromaticContact CE2-CG 3.36Å; F162-F325 HydrophobicContact CE2-CG 3.36Å; F162-F325 HydrophobicContact CG-CB 4.15Å; F162-F325 HydrophobicContact CZ-CB 3.32Å; F162-F325 HydrophobicContact CZ-CD1 4.31Å; F162-F325 HydrophobicContact CZ-CD2 4.15Å; F162-F325 AromaticContact CZ-CG 3.69Å; F162-F325 HydrophobicContact CZ-CG 3.69Å; F162-F325 PolarHBondContact N-O 2.8Å; F162-F325 PolarHBondContact O-N 2.88Å
163S98.4Very high86.1Confident0 Ų043.9 Ų43.90%032%0.318CS..EExtended strand (participates in β ladder)trans-145.6154.5-176.961.10000113.6L178 V179 G182 L183 Y322 T323S163-L178 CarbonylContact O-C 3.57Å; S163-L178 WeakPolarHBondContact O-CA 3.27Å; S163-V179 PolarHBondContact N-O 2.58Å; S163-V179 PolarHBondContact O-N 3.07Å; S163-G182 PolarHBondContact OG-O 2.87Å; S163-L183 WeakPolarHBondContact OG-CA 3.29Å; S163-Y322 VanDerWaalsContact CB-CE1 3.49Å; S163-Y322 WeakPolarHBondContact CB-OH 3.29Å; S163-Y322 PolarHBondContact OG-OH 2.86Å; S163-T323 CarbonylContact C-O 3.43Å; S163-T323 WeakPolarHBondContact CA-O 3.26Å; S163-T323 VanDerWaalsContact CB-O 3.29Å; S163-T323 WeakPolarHBondContact CB-O 3.25Å
164F98.4Very high85.7Confident4 Ų442.1 Ų42.12%0.01830%0.298CS..EExtended strand (participates in β ladder)trans-124.1132.9-176.8-78.3-95.9000111.3L15 F40 T42 M134 F162 L166 E177 L178 T227 M318 T323 F325L15-F164 HydrophobicContact CD1-CD1 3.88Å; L15-F164 HydrophobicContact CD1-CE1 3.99Å; F40-F164 HydrophobicContact CB-CE1 4.08Å; F40-F164 HydrophobicContact CB-CZ 3.73Å; T42-F164 HydrophobicContact CG2-CE2 4.23Å; M134-F164 HydrophobicContact SD-CE2 4.36Å; M134-F164 HydrophobicContact SD-CZ 4.12Å; F162-F164 HydrophobicContact CD2-CD2 4.18Å; F162-F164 AromaticContact CD2-CE2 3.73Å; F162-F164 HydrophobicContact CD2-CE2 3.73Å; F162-F164 HydrophobicContact CE2-CD2 4.47Å; F162-F164 AromaticContact CE2-CE2 3.89Å; F162-F164 HydrophobicContact CE2-CE2 3.89Å; F164-L166 HydrophobicContact CD1-CD2 4.07Å; F164-E177 WeakPolarHBondContact CA-O 3.29Å; F164-L178 HydrophobicContact CD1-CB 4.48Å; F164-L178 HydrophobicContact CD2-CD1 4.16Å; F164-L178 HydrophobicContact CE1-CB 4.14Å; F164-L178 HydrophobicContact CE1-CD1 4.24Å; F164-L178 HydrophobicContact CE2-CD1 3.68Å; F164-L178 HydrophobicContact CZ-CB 4.43Å; F164-L178 HydrophobicContact CZ-CD1 3.73Å; F164-L178 HydrophobicContact CZ-CD2 4.47Å; F164-L178 HydrophobicContact CZ-CG 4.43Å; F164-T227 HydrophobicContact CD1-CG2 3.93Å; F164-T227 HydrophobicContact CD2-CG2 3.93Å; F164-T227 HydrophobicContact CE1-CG2 3.97Å; F164-T227 HydrophobicContact CE2-CG2 3.95Å; F164-T227 HydrophobicContact CG-CG2 3.89Å; F164-T227 HydrophobicContact CZ-CG2 3.96Å; F164-M318 HydrophobicContact CB-CE 4.07Å; F164-T323 PolarHBondContact N-O 3.18Å; F164-T323 PolarHBondContact O-N 2.76Å; F164-F325 AromaticContact CD2-CD2 3.98Å; F164-F325 HydrophobicContact CD2-CD2 3.98Å; F164-F325 AromaticContact CD2-CE2 3.65Å; F164-F325 HydrophobicContact CD2-CE2 3.65Å; F164-F325 HydrophobicContact CE2-CD2 4.4Å; F164-F325 HydrophobicContact CE2-CE2 4.18Å
165Y97Very high86Confident12 Ų1239.3 Ų39.35%0.04729%0.285CS..EExtended strand (participates in β ladder)trans-114.1123.2158.7166.7-112.7000108.4N167 G176 E177 Y187 A337Y165-N167 HydrophobicContact CE1-CB 3.89Å; Y165-G176 CarbonylContact O-C 3.55Å; Y165-G176 WeakPolarHBondContact O-CA 3.19Å; Y165-E177 PolarHBondContact N-O 2.97Å; Y165-E177 PolarHBondContact O-N 3.23Å; Y165-Y187 AromaticContact CD1-CD1 3.79Å; Y165-Y187 HydrophobicContact CD1-CD1 3.79Å; Y165-Y187 AromaticContact CD1-CD2 3.86Å; Y165-Y187 HydrophobicContact CD1-CD2 3.86Å; Y165-Y187 HydrophobicContact CD1-CE1 4.14Å; Y165-Y187 HydrophobicContact CD1-CE2 4.19Å; Y165-Y187 AromaticContact CD1-CG 3.68Å; Y165-Y187 HydrophobicContact CD1-CG 3.68Å; Y165-Y187 HydrophobicContact CD2-CD1 4.36Å; Y165-Y187 HydrophobicContact CD2-CG 4.11Å; Y165-Y187 AromaticContact CE1-CD1 3.65Å; Y165-Y187 HydrophobicContact CE1-CD1 3.65Å; Y165-Y187 AromaticContact CE1-CE1 3.83Å; Y165-Y187 HydrophobicContact CE1-CE1 3.83Å; Y165-Y187 HydrophobicContact CE1-CG 4.04Å; Y165-Y187 HydrophobicContact CE2-CD1 4.23Å; Y165-Y187 HydrophobicContact CE2-CG 4.43Å; Y165-Y187 HydrophobicContact CG-CD1 4.14Å; Y165-Y187 HydrophobicContact CG-CD2 4.05Å; Y165-Y187 AromaticContact CG-CG 3.7Å; Y165-Y187 HydrophobicContact CG-CG 3.7Å; Y165-Y187 AromaticContact CZ-CD1 3.87Å; Y165-A337 HydrophobicContact CD2-CB 4.34Å; Y165-A337 HydrophobicContact CE2-CB 4.34Å
166L95.6Very high87.2Confident2 Ų236 Ų361%0.0125%0.25CS..EExtended strand (participates in β ladder)trans-114.5115.2176.3-53.5-176.8000108.9L15 Y23 F164 D315 M318 G319L15-L166 HydrophobicContact CD1-CD2 3.91Å; Y23-L166 HydrophobicContact CD1-CB 4.26Å; Y23-L166 HydrophobicContact CD1-CD2 3.93Å; Y23-L166 HydrophobicContact CD2-CD1 4.21Å; Y23-L166 HydrophobicContact CD2-CD2 4.32Å; Y23-L166 HydrophobicContact CE1-CB 3.96Å; Y23-L166 HydrophobicContact CE1-CD2 4.5Å; Y23-L166 HydrophobicContact CE2-CB 4.39Å; Y23-L166 HydrophobicContact CE2-CD1 4.36Å; Y23-L166 HydrophobicContact CG-CD2 3.83Å; F164-L166 HydrophobicContact CD1-CD2 4.07Å; L166-D315 HydrophobicContact CD1-CB 4.02Å; L166-D315 WeakPolarHBondContact CD1-OD1 3.31Å; L166-M318 HydrophobicContact CD1-CB 3.82Å; L166-G319 WeakPolarHBondContact O-CA 2.94Å
167N92.3Very high87.9Confident11 Ų1135.1 Ų35.16%0.05924%0.244CC..  trans-81.1127.1-179-167.3-11.6000110.2N17 N20 Y23 Y165 G169 S172 I174 G175N17-N167 PolarHBondContact ND2-O 3.33Å; N20-N167 PolarHBondContact OD1-O 2.67Å; Y23-N167 WeakPolarHBondContact CE1-O 3.47Å; Y23-N167 PolarHBondContact OH-O 2.82Å; Y165-N167 HydrophobicContact CE1-CB 3.89Å; N167-G169 PolarHBondContact OD1-N 3.06Å; N167-S172 WeakPolarHBondContact ND2-CB 3.26Å; N167-S172 PolarHBondContact ND2-OG 3.26Å; N167-I174 PolarHBondContact ND2-O 2.81Å; N167-I174 VanDerWaalsContact ND2-O 3.13Å; N167-G175 WeakPolarHBondContact CA-O 3.37Å; N167-G175 WeakPolarHBondContact CB-O 3.29Å; N167-G175 PolarHBondContact N-O 3.31Å
168R86.9Confident88.4Confident25 Ų2530.8 Ų30.89%0.09422%0.221CC..  trans-98-10.9176.8-58.7-65.4-73.7-177.81.9113.7N20 Y23N20-R168 PolarHBondContact ND2-O 3.13Å; N20-R168 PolarHBondContact O-NH1 2.94Å; N20-R168 WeakPolarHBondContact OD1-CA 3.4Å; Y23-R168 VanDerWaalsContact OH-CD 3.27Å; Y23-R168 WeakPolarHBondContact OH-CD 3.5Å; Y23-R168 PolarHBondContact OH-NH1 2.82Å
169G76.3Confident88.6Confident35 Ų3530.3 Ų30.336%0.36122%0.219SC..SBendtrans-73.8133.1-177.500000112.6N167 G171N167-G169 PolarHBondContact OD1-N 3.06Å; G169-G171 PolarHBondContact O-N 3.08Å
170S62.1Low88.8Confident128 Ų12827.7 Ų27.790%0.89521%0.206SC*.THydrogen-bonded Turntrans-73.4123.9174.456.90000110.8
171G59.9Low88.8Confident85 Ų8525.8 Ų25.888%0.87619%0.194SC*.THydrogen-bonded Turntrans100.94.9171.200000116.5G169G169-G171 PolarHBondContact O-N 3.08Å
172S68.4Low88.7Confident63 Ų6325.7 Ų25.744%0.44119%0.194SC..  trans-72.3138.6168.2170.90000110.8N167 I174N167-S172 WeakPolarHBondContact ND2-CB 3.26Å; N167-S172 PolarHBondContact ND2-OG 3.26Å; S172-I174 WeakPolarHBondContact CB-O 3.37Å; S172-I174 PolarHBondContact O-N 3.1Å; S172-I174 PolarHBondContact OG-N 2.87Å; S172-I174 VanDerWaalsContact OG-N 3.16Å; S172-I174 PolarHBondContact OG-O 3.28Å
173A76.4Confident88.6Confident108 Ų10827.1 Ų27.189%0.89320%0.201SC*.SBendtrans-63.5-26.7173.500000112.8
174I85.9Confident88.4Confident37 Ų3728.8 Ų28.819%0.1921%0.21CC..  trans-105118.3178-58.8173.6000108.2N167 S172 G176N167-I174 PolarHBondContact ND2-O 2.81Å; N167-I174 VanDerWaalsContact ND2-O 3.13Å; S172-I174 WeakPolarHBondContact CB-O 3.37Å; S172-I174 PolarHBondContact O-N 3.1Å; S172-I174 PolarHBondContact OG-N 2.87Å; S172-I174 VanDerWaalsContact OG-N 3.16Å; S172-I174 PolarHBondContact OG-O 3.28Å; I174-G176 WeakPolarHBondContact CG2-O 3.42Å
175G92.9Very high88.2Confident7 Ų733 Ų337%0.07224%0.238CC..  trans-79.3-26.8176.200000113.3L15 Y23 N167L15-G175 CarbonylContact O-C 3.55Å; L15-G175 WeakPolarHBondContact O-CA 3.13Å; L15-G175 PolarHBondContact O-N 3.18Å; Y23-G175 WeakPolarHBondContact CD1-O 3.05Å; Y23-G175 WeakPolarHBondContact CE1-O 3.43Å; N167-G175 WeakPolarHBondContact CA-O 3.37Å; N167-G175 WeakPolarHBondContact CB-O 3.29Å; N167-G175 PolarHBondContact N-O 3.31Å
176G95.5Very high88.1Confident0 Ų038.9 Ų38.90%026%0.264CS..EExtended strand (participates in β ladder)trans178.1-174.717400000111L15 Y165 I174L15-G176 PolarHBondContact N-O 3.42Å; L15-G176 PolarHBondContact O-N 2.95Å; Y165-G176 CarbonylContact O-C 3.55Å; Y165-G176 WeakPolarHBondContact O-CA 3.19Å; I174-G176 WeakPolarHBondContact CG2-O 3.42Å
177E96.4Very high88Confident16 Ų1639.8 Ų39.88%0.07527%0.267CS..EExtended strand (participates in β ladder)trans-144.9133.6174.4-174-179.3-134.500109.9S12 E13 F164 Y165 V179 N184 Y187S12-E177 VanDerWaalsContact CB-OE1 3.28Å; S12-E177 WeakPolarHBondContact CB-OE1 3.42Å; S12-E177 PolarHBondContact OG-OE1 3.17Å; E13-E177 WeakPolarHBondContact O-CA 3.45Å; F164-E177 WeakPolarHBondContact CA-O 3.29Å; Y165-E177 PolarHBondContact N-O 2.97Å; Y165-E177 PolarHBondContact O-N 3.23Å; E177-V179 HydrophobicContact CG-CG2 3.86Å; E177-N184 PolarHBondContact OE1-ND2 2.85Å; E177-N184 WeakPolarHBondContact OE2-CB 3.43Å; E177-N184 PolarHBondContact OE2-ND2 3.34Å; E177-Y187 HydrophobicContact CB-CE2 4.32Å; E177-Y187 WeakPolarHBondContact OE2-CD2 3.06Å; E177-Y187 WeakPolarHBondContact OE2-CE2 3.06Å
178L97.8Very high88.2Confident0 Ų040.9 Ų40.90%027%0.271CS..EExtended strand (participates in β ladder)trans-97.7129.1159.816463.5000107.9S12 E13 L15 F40 M134 F162 S163 F164 L180S12-L178 CarbonylContact C-O 3.51Å; S12-L178 WeakPolarHBondContact CA-O 3.15Å; E13-L178 HydrophobicContact CB-CB 4.36Å; E13-L178 PolarHBondContact N-O 3.32Å; E13-L178 PolarHBondContact O-N 3.23Å; L15-L178 HydrophobicContact CD2-CB 4.41Å; F40-L178 HydrophobicContact CB-CD2 4.35Å; F40-L178 HydrophobicContact CD1-CD2 3.63Å; F40-L178 HydrophobicContact CD2-CD2 3.89Å; F40-L178 HydrophobicContact CE1-CD2 3.74Å; F40-L178 HydrophobicContact CE2-CD2 3.99Å; F40-L178 HydrophobicContact CG-CD2 3.7Å; F40-L178 HydrophobicContact CZ-CD2 3.92Å; M134-L178 HydrophobicContact CE-CD1 4.42Å; M134-L178 HydrophobicContact SD-CD2 4.3Å; F162-L178 HydrophobicContact CB-CD1 4.17Å; F162-L178 HydrophobicContact CD2-CD1 4.28Å; S163-L178 CarbonylContact O-C 3.57Å; S163-L178 WeakPolarHBondContact O-CA 3.27Å; F164-L178 HydrophobicContact CD1-CB 4.48Å; F164-L178 HydrophobicContact CD2-CD1 4.16Å; F164-L178 HydrophobicContact CE1-CB 4.14Å; F164-L178 HydrophobicContact CE1-CD1 4.24Å; F164-L178 HydrophobicContact CE2-CD1 3.68Å; F164-L178 HydrophobicContact CZ-CB 4.43Å; F164-L178 HydrophobicContact CZ-CD1 3.73Å; F164-L178 HydrophobicContact CZ-CD2 4.47Å; F164-L178 HydrophobicContact CZ-CG 4.43Å; L178-L180 HydrophobicContact CD1-CD2 4.14Å; L178-L180 HydrophobicContact CD2-CD2 4.23Å; L178-L180 HydrophobicContact CD2-CG 4.41Å; L178-L180 HydrophobicContact CG-CD2 4.34Å; L178-L180 HydrophobicContact CG-CG 4.35Å
179V97.1Very high88.5Confident4 Ų444.2 Ų44.22%0.02429%0.291CS..EExtended strand (participates in β ladder)trans-114.4114.3169.6-172.70000109F162 S163 E177 N184F162-V179 CarbonylContact C-O 3.38Å; F162-V179 WeakPolarHBondContact CA-O 3.39Å; F162-V179 WeakPolarHBondContact CB-O 3.29Å; S163-V179 PolarHBondContact N-O 2.58Å; S163-V179 PolarHBondContact O-N 3.07Å; E177-V179 HydrophobicContact CG-CG2 3.86Å; V179-N184 HydrophobicContact CG2-CB 4.18Å
180L96.5Very high89.2Confident3 Ų345.5 Ų45.52%0.01630%0.304CS..EExtended strand (participates in β ladder)trans-83.4127.8168.8-59.6170.4000108.4T10 T11 I102 L105 M134 F148 I151 M158 F162 L178T10-L180 WeakPolarHBondContact CA-O 3.4Å; T11-L180 HydrophobicContact CG2-CD1 4.48Å; T11-L180 PolarHBondContact N-O 3.35Å; T11-L180 PolarHBondContact O-N 3.28Å; I102-L180 HydrophobicContact CD1-CD1 4Å; I102-L180 HydrophobicContact CG2-CD1 4.27Å; L105-L180 HydrophobicContact CD2-CD1 3.78Å; M134-L180 HydrophobicContact CE-CD2 3.94Å; F148-L180 HydrophobicContact CD2-CD2 4.03Å; F148-L180 HydrophobicContact CE2-CD2 4.05Å; I151-L180 HydrophobicContact CD1-CD1 4.09Å; M158-L180 HydrophobicContact CE-CB 3.82Å; M158-L180 WeakPolarHBondContact CE-O 3.33Å; M158-L180 VanDerWaalsContact SD-C 3.55Å; M158-L180 HydrophobicContact SD-CB 3.86Å; F162-L180 HydrophobicContact CB-CD2 4Å; L178-L180 HydrophobicContact CD1-CD2 4.14Å; L178-L180 HydrophobicContact CD2-CD2 4.23Å; L178-L180 HydrophobicContact CD2-CG 4.41Å; L178-L180 HydrophobicContact CG-CD2 4.34Å; L178-L180 HydrophobicContact CG-CG 4.35Å
181G95.5Very high90.6Very high0 Ų044.7 Ų44.70%029%0.29CS..THydrogen-bonded Turntrans86.35.8175.500000116.7M158 I161M158-G181 WeakPolarHBondContact SD-CA 3.33Å; M158-G181 PolarHBondContact SD-N 2.94Å; M158-G181 VanDerWaalsContact SD-N 3.37Å; I161-G181 WeakPolarHBondContact O-CA 3.43Å; I161-G181 PolarHBondContact O-N 3.07Å
182G95Very high92.3Very high0 Ų042.3 Ų42.30%026%0.255CS..SBendtrans-174.2-162.4-17000000113.6S163S163-G182 PolarHBondContact OG-O 2.87Å
183L95.9Very high93.7Very high30 Ų3039.5 Ų39.516%0.15724%0.235CC..  trans-142.4156.1179.35083000108.9Y2 S163 F188 F192 Y322Y2-L183 HydrophobicContact CD1-CD2 4.01Å; Y2-L183 HydrophobicContact CE1-CD2 4.25Å; S163-L183 WeakPolarHBondContact OG-CA 3.29Å; L183-F188 HydrophobicContact CB-CE1 4.34Å; L183-F188 HydrophobicContact CD1-CE1 3.72Å; L183-F188 HydrophobicContact CD1-CZ 3.83Å; L183-F188 HydrophobicContact CG-CE1 4.46Å; L183-F192 HydrophobicContact CD2-CE2 4.25Å; L183-Y322 WeakPolarHBondContact CA-OH 3.25Å; L183-Y322 HydrophobicContact CB-CE1 4.23Å
184N94.9Very high94.7Very high35 Ų3536.3 Ų36.319%0.18720%0.2CC..  trans-108108.5175.6-168.9-21.7000110.5E177 V179 K186 Y187 F188 Y322E177-N184 PolarHBondContact OE1-ND2 2.85Å; E177-N184 WeakPolarHBondContact OE2-CB 3.43Å; E177-N184 PolarHBondContact OE2-ND2 3.34Å; V179-N184 HydrophobicContact CG2-CB 4.18Å; N184-K186 PolarHBondContact O-N 3.15Å; N184-K186 WeakPolarHBondContact OD1-CB 3.03Å; N184-K186 PolarHBondContact OD1-N 3.01Å; N184-K186 VanDerWaalsContact OD1-N 3.09Å; N184-Y187 HydrophobicContact CB-CD2 3.87Å; N184-Y187 HydrophobicContact CB-CE2 4.41Å; N184-Y187 VanDerWaalsContact ND2-CE2 3.33Å; N184-Y187 WeakPolarHBondContact ND2-CE2 3.17Å; N184-Y187 PolarHBondContact O-N 3.49Å; N184-Y187 VanDerWaalsContact O-N 3.09Å; N184-F188 WeakPolarHBondContact O-CD1 3.26Å; N184-F188 WeakPolarHBondContact O-CE1 3.45Å; N184-Y322 PolarHBondContact N-OH 2.83Å
185P94.4Very high95.3Very high93 Ų9334.9 Ų34.960%0.60419%0.193SC*.THydrogen-bonded Turntrans-63.6-12.5-177.427.4-34.7000113.9Y187 F188P185-Y187 VanDerWaalsContact C-N 3.26Å; P185-Y187 PolarHBondContact O-N 3.02Å; P185-F188 VanDerWaalsContact CA-CE1 3.43Å; P185-F188 HydrophobicContact CB-CE1 4.33Å; P185-F188 HydrophobicContact CB-CZ 4.26Å
186K93.8Very high95.5Very high135 Ų13539 Ų3959%0.58722%0.219SC*.THydrogen-bonded Turntrans-68-24.3174.4-172.2-178171.9-165.20113.2N184N184-K186 PolarHBondContact O-N 3.15Å; N184-K186 WeakPolarHBondContact OD1-CB 3.03Å; N184-K186 PolarHBondContact OD1-N 3.01Å; N184-K186 VanDerWaalsContact OD1-N 3.09Å
187Y95Very high95.6Very high20 Ų2040 Ų408%0.07823%0.225CC..SBendtrans-111.45.8-165.5-63.1-49.3000115.2Y165 E177 N184 P185 A337 V338Y165-Y187 AromaticContact CD1-CD1 3.79Å; Y165-Y187 HydrophobicContact CD1-CD1 3.79Å; Y165-Y187 AromaticContact CD1-CD2 3.86Å; Y165-Y187 HydrophobicContact CD1-CD2 3.86Å; Y165-Y187 HydrophobicContact CD1-CE1 4.14Å; Y165-Y187 HydrophobicContact CD1-CE2 4.19Å; Y165-Y187 AromaticContact CD1-CG 3.68Å; Y165-Y187 HydrophobicContact CD1-CG 3.68Å; Y165-Y187 HydrophobicContact CD2-CD1 4.36Å; Y165-Y187 HydrophobicContact CD2-CG 4.11Å; Y165-Y187 AromaticContact CE1-CD1 3.65Å; Y165-Y187 HydrophobicContact CE1-CD1 3.65Å; Y165-Y187 AromaticContact CE1-CE1 3.83Å; Y165-Y187 HydrophobicContact CE1-CE1 3.83Å; Y165-Y187 HydrophobicContact CE1-CG 4.04Å; Y165-Y187 HydrophobicContact CE2-CD1 4.23Å; Y165-Y187 HydrophobicContact CE2-CG 4.43Å; Y165-Y187 HydrophobicContact CG-CD1 4.14Å; Y165-Y187 HydrophobicContact CG-CD2 4.05Å; Y165-Y187 AromaticContact CG-CG 3.7Å; Y165-Y187 HydrophobicContact CG-CG 3.7Å; Y165-Y187 AromaticContact CZ-CD1 3.87Å; E177-Y187 HydrophobicContact CB-CE2 4.32Å; E177-Y187 WeakPolarHBondContact OE2-CD2 3.06Å; E177-Y187 WeakPolarHBondContact OE2-CE2 3.06Å; N184-Y187 HydrophobicContact CB-CD2 3.87Å; N184-Y187 HydrophobicContact CB-CE2 4.41Å; N184-Y187 VanDerWaalsContact ND2-CE2 3.33Å; N184-Y187 WeakPolarHBondContact ND2-CE2 3.17Å; N184-Y187 PolarHBondContact O-N 3.49Å; N184-Y187 VanDerWaalsContact O-N 3.09Å; P185-Y187 VanDerWaalsContact C-N 3.26Å; P185-Y187 PolarHBondContact O-N 3.02Å; Y187-A337 WeakPolarHBondContact O-CA 3.24Å; Y187-V338 PolarHBondContact O-N 2.98Å
188F95.3Very high95.5Very high34 Ų3442.8 Ų42.815%0.14924%0.243CC..EExtended strand (participates in β ladder)trans-138.6157173.766.6-92.4000113.1L183 N184 P185 F192 Y322 A335 D336L183-F188 HydrophobicContact CB-CE1 4.34Å; L183-F188 HydrophobicContact CD1-CE1 3.72Å; L183-F188 HydrophobicContact CD1-CZ 3.83Å; L183-F188 HydrophobicContact CG-CE1 4.46Å; N184-F188 WeakPolarHBondContact O-CD1 3.26Å; N184-F188 WeakPolarHBondContact O-CE1 3.45Å; P185-F188 VanDerWaalsContact CA-CE1 3.43Å; P185-F188 HydrophobicContact CB-CE1 4.33Å; P185-F188 HydrophobicContact CB-CZ 4.26Å; F188-F192 HydrophobicContact CD1-CE2 4.32Å; F188-F192 AromaticContact CD1-CZ 3.97Å; F188-F192 HydrophobicContact CD1-CZ 3.97Å; F188-F192 AromaticContact CD2-CE2 3.76Å; F188-F192 HydrophobicContact CD2-CE2 3.76Å; F188-F192 AromaticContact CD2-CZ 3.98Å; F188-F192 HydrophobicContact CD2-CZ 3.98Å; F188-F192 HydrophobicContact CE1-CE2 4.1Å; F188-F192 HydrophobicContact CE1-CZ 4.1Å; F188-F192 HydrophobicContact CE2-CD2 4.46Å; F188-F192 AromaticContact CE2-CE2 3.54Å; F188-F192 HydrophobicContact CE2-CE2 3.54Å; F188-F192 HydrophobicContact CE2-CZ 4.14Å; F188-F192 HydrophobicContact CG-CE2 4.16Å; F188-F192 AromaticContact CG-CZ 3.92Å; F188-F192 HydrophobicContact CG-CZ 3.92Å; F188-F192 AromaticContact CZ-CE2 3.74Å; F188-F192 HydrophobicContact CZ-CE2 3.74Å; F188-F192 HydrophobicContact CZ-CZ 4.2Å; F188-Y322 HydrophobicContact CB-CD1 4.48Å; F188-Y322 HydrophobicContact CB-CD2 4.16Å; F188-Y322 HydrophobicContact CB-CG 3.89Å; F188-Y322 HydrophobicContact CD1-CD1 4.26Å; F188-Y322 HydrophobicContact CD1-CD2 4.24Å; F188-Y322 HydrophobicContact CD1-CE1 4.3Å; F188-Y322 HydrophobicContact CD1-CE2 4.28Å; F188-Y322 HydrophobicContact CD1-CG 4.23Å; F188-Y322 HydrophobicContact CG-CG 4.45Å; F188-A335 HydrophobicContact CB-CB 4.16Å; F188-A335 HydrophobicContact CD2-CB 4.45Å; F188-D336 CarbonylContact C-O 3.58Å; F188-D336 VanDerWaalsContact CA-O 3.24Å; F188-D336 WeakPolarHBondContact CA-O 3.46Å
189N93Very high95.1Very high96 Ų9645.6 Ų45.651%0.51326%0.256SS..EExtended strand (participates in β ladder)trans-121.4146174.6-67.9-54.5000110.8D336 V338N189-D336 PolarHBondContact N-O 2.95Å; N189-V338 WeakPolarHBondContact ND2-CG2 3.45Å
190G90.7Very high94.7Very high61 Ų6150 Ų5063%0.62928%0.279SS*.EExtended strand (participates in β ladder)trans70.7-167174.300000114
191D92.2Very high94.4Very high111 Ų11154.4 Ų54.459%0.59430%0.296SS*.EExtended strand (participates in β ladder)trans-88.1143.4-176.3-69.6-51.6000113.4K275D191-K275 PolarHBondContact O-NZ 3.39Å
192F96.4Very high94.4Very high35 Ų3557 Ų5715%0.15431%0.309CS..EExtended strand (participates in β ladder)trans-67.5136.7170-72.8-86.2000112.6L183 F188 Y194 Y322 V324 L334 A335L183-F192 HydrophobicContact CD2-CE2 4.25Å; F188-F192 HydrophobicContact CD1-CE2 4.32Å; F188-F192 AromaticContact CD1-CZ 3.97Å; F188-F192 HydrophobicContact CD1-CZ 3.97Å; F188-F192 AromaticContact CD2-CE2 3.76Å; F188-F192 HydrophobicContact CD2-CE2 3.76Å; F188-F192 AromaticContact CD2-CZ 3.98Å; F188-F192 HydrophobicContact CD2-CZ 3.98Å; F188-F192 HydrophobicContact CE1-CE2 4.1Å; F188-F192 HydrophobicContact CE1-CZ 4.1Å; F188-F192 HydrophobicContact CE2-CD2 4.46Å; F188-F192 AromaticContact CE2-CE2 3.54Å; F188-F192 HydrophobicContact CE2-CE2 3.54Å; F188-F192 HydrophobicContact CE2-CZ 4.14Å; F188-F192 HydrophobicContact CG-CE2 4.16Å; F188-F192 AromaticContact CG-CZ 3.92Å; F188-F192 HydrophobicContact CG-CZ 3.92Å; F188-F192 AromaticContact CZ-CE2 3.74Å; F188-F192 HydrophobicContact CZ-CE2 3.74Å; F188-F192 HydrophobicContact CZ-CZ 4.2Å; F192-Y194 HydrophobicContact CB-CD2 3.99Å; F192-Y194 HydrophobicContact CB-CE2 3.58Å; F192-Y194 HydrophobicContact CG-CE2 4.25Å; F192-Y322 AromaticContact CE1-CD1 3.82Å; F192-Y322 HydrophobicContact CE1-CD1 3.82Å; F192-Y322 HydrophobicContact CE1-CE1 4.44Å; F192-Y322 AromaticContact CZ-CD1 3.8Å; F192-Y322 HydrophobicContact CZ-CD1 3.8Å; F192-Y322 HydrophobicContact CZ-CE1 4.16Å; F192-V324 HydrophobicContact CD1-CG2 4.15Å; F192-V324 HydrophobicContact CE1-CB 4.49Å; F192-V324 HydrophobicContact CE1-CG2 3.48Å; F192-V324 VanDerWaalsContact CE1-CG2 3.48Å; F192-V324 HydrophobicContact CZ-CG2 3.83Å; F192-L334 CarbonylContact C-O 3.51Å; F192-L334 VanDerWaalsContact CA-O 3.28Å; F192-L334 WeakPolarHBondContact CA-O 3.47Å; F192-A335 HydrophobicContact CD1-CB 3.7Å; F192-A335 HydrophobicContact CD2-CB 4.44Å; F192-A335 HydrophobicContact CE1-CB 3.61Å; F192-A335 HydrophobicContact CE2-CB 4.38Å; F192-A335 HydrophobicContact CG-CB 4.12Å; F192-A335 HydrophobicContact CZ-CB 3.98Å
193E97Very high94.5Very high4 Ų457.1 Ų57.12%0.01931%0.309CS..EExtended strand (participates in β ladder)trans-93118.7155.1-171.6-178.3176.500109.2I195 H273 R274 K275 Y277 G333 L334E193-I195 HydrophobicContact CG-CG1 4.16Å; E193-H273 WeakPolarHBondContact OE1-CA 3.39Å; E193-H273 WeakPolarHBondContact OE1-CB 3.4Å; E193-H273 PolarHBondContact OE1-N 3.22Å; E193-R274 PolarHBondContact OE1-N 3.46Å; E193-K275 HydrophobicContact CB-CD 4.37Å; E193-K275 WeakPolarHBondContact OE2-CB 3.09Å; E193-K275 PolarHBondContact OE2-N 3.44Å; E193-Y277 WeakPolarHBondContact CB-OH 3.47Å; E193-Y277 WeakPolarHBondContact OE2-CE2 3.28Å; E193-Y277 PolarHBondContact OE2-OH 3.34Å; E193-G333 WeakPolarHBondContact O-CA 3.48Å; E193-L334 PolarHBondContact N-O 2.86Å; E193-L334 PolarHBondContact O-N 2.94Å
194Y97.7Very high94.6Very high41 Ų4156 Ų5616%0.16130%0.304CS..EExtended strand (participates in β ladder)trans-93.1128.4172.3-75.4-82.5000111.1F192 V324 R331 I332F192-Y194 HydrophobicContact CB-CD2 3.99Å; F192-Y194 HydrophobicContact CB-CE2 3.58Å; F192-Y194 HydrophobicContact CG-CE2 4.25Å; Y194-V324 HydrophobicContact CE1-CG1 4.4Å; Y194-R331 HydrophobicContact CD1-CG 3.85Å; Y194-I332 CarbonylContact C-O 3.57Å; Y194-I332 VanDerWaalsContact CA-O 3.29Å; Y194-I332 WeakPolarHBondContact CA-O 3.42Å
195I97.9Very high94.7Very high7 Ų754.3 Ų54.34%0.03630%0.295CS..EExtended strand (participates in β ladder)trans-122.5122.4-176.5-53161.6000108.2E193 I205 F272 R331 I332 L334E193-I195 HydrophobicContact CG-CG1 4.16Å; I195-I205 HydrophobicContact CB-CB 4.5Å; I195-I205 HydrophobicContact CB-CG2 4.28Å; I195-I205 HydrophobicContact CD1-CD1 3.89Å; I195-I205 HydrophobicContact CG2-CB 3.87Å; I195-I205 HydrophobicContact CG2-CD1 4.47Å; I195-I205 HydrophobicContact CG2-CG2 4.06Å; I195-F272 HydrophobicContact CD1-CB 3.54Å; I195-F272 HydrophobicContact CD1-CD1 3.66Å; I195-F272 HydrophobicContact CD1-CD2 4.11Å; I195-F272 HydrophobicContact CD1-CE1 4.37Å; I195-F272 HydrophobicContact CD1-CG 3.5Å; I195-F272 VanDerWaalsContact CD1-CG 3.5Å; I195-F272 HydrophobicContact CG1-CB 4.38Å; I195-R331 CarbonylContact O-C 3.59Å; I195-R331 WeakPolarHBondContact O-CA 3.43Å; I195-R331 VanDerWaalsContact O-CB 3.29Å; I195-R331 WeakPolarHBondContact O-CB 3.46Å; I195-I332 PolarHBondContact N-O 3.01Å; I195-I332 PolarHBondContact O-N 2.81Å; I195-L334 HydrophobicContact CD1-CD1 4.02Å
196P97.5Very high94.9Very high95 Ų9556.6 Ų56.662%0.61729%0.292SS*.EExtended strand (participates in β ladder)trans-64.9143.7-179.227.6-34.3000111.3
197T97.3Very high95.1Very high20 Ų2050.1 Ų50.112%0.12326%0.264CS..BIsolated β-bridgetrans-72.9145.8172.959.80000110.6H199 W203 V204 I205 R330 I332T197-H199 VanDerWaalsContact C-N 3.3Å; T197-H199 WeakPolarHBondContact CB-O 3.42Å; T197-H199 PolarHBondContact OG1-O 2.9Å; T197-W203 HydrophobicContact CG2-CE3 3.7Å; T197-W203 HydrophobicContact CG2-CZ3 4.13Å; T197-V204 CarbonylContact C-O 3.45Å; T197-V204 WeakPolarHBondContact CA-O 3.46Å; T197-I205 HydrophobicContact CG2-CG2 4.39Å; T197-R330 PolarHBondContact N-O 2.95Å; T197-R330 PolarHBondContact OG1-O 3.44Å; T197-I332 HydrophobicContact CG2-CG1 4.32Å
198V95Very high95.2Very high74 Ų7452 Ų5245%0.44828%0.275SS..SBendtrans-76.3-25.3177.1-171.80000110.9V204 R206V198-V204 HydrophobicContact CB-CG1 4.3Å; V198-V204 HydrophobicContact CG2-CG1 4.19Å; V198-V204 PolarHBondContact N-O 2.57Å; V198-R206 HydrophobicContact CG2-CB 4.44Å
199H88.9Confident95.3Very high60 Ų6050.6 Ų50.628%0.27827%0.269SS..  trans-131.8162-173.2-61.8-36.2000111.9T197 Y201T197-H199 VanDerWaalsContact C-N 3.3Å; T197-H199 WeakPolarHBondContact CB-O 3.42Å; T197-H199 PolarHBondContact OG1-O 2.9Å; H199-Y201 HydrophobicContact CB-CD1 3.72Å; H199-Y201 HydrophobicContact CB-CE1 3.42Å; H199-Y201 VanDerWaalsContact CB-CE1 3.42Å; H199-Y201 HydrophobicContact CB-CG 4.41Å; H199-Y201 AromaticContact CD2-CE1 3.99Å; H199-Y201 AromaticContact CD2-CZ 3.68Å; H199-Y201 PolarHBondContact CD2-OH 3.04Å; H199-Y201 VanDerWaalsContact CD2-OH 3.24Å; H199-Y201 AromaticContact CG-CE1 3.48Å; H199-Y201 VanDerWaalsContact CG-CE1 3.48Å; H199-Y201 AromaticContact CG-CZ 3.69Å; H199-Y201 AromaticContact ND1-CE1 3.93Å; H199-Y201 PolarHBondContact NE2-OH 3.24Å
200N88.3Confident95.6Very high97 Ų9746 Ų4652%0.51925%0.245SC..SBendtrans-99.89.2176.8-57.7-28.9000113S136 R330S136-N200 CarbonylContact C-O 3.51Å; S136-N200 VanDerWaalsContact O-O 3.13Å; N200-R330 PolarHBondContact ND2-NH1 3.3Å; N200-R330 VanDerWaalsContact ND2-NH1 3.18Å; N200-R330 WeakPolarHBondContact OD1-CD 3.18Å; N200-R330 PolarHBondContact OD1-NH1 2.99Å
201Y91.5Very high95.9Very high95 Ų9547.7 Ų47.737%0.37323%0.232SC..SBendtrans-129-16.2-17463-90.3000113.7S135 S136 H199S135-Y201 WeakPolarHBondContact CB-O 3.38Å; S136-Y201 VanDerWaalsContact OG-C 3.22Å; S136-Y201 PolarHBondContact OG-N 3.08Å; H199-Y201 HydrophobicContact CB-CD1 3.72Å; H199-Y201 HydrophobicContact CB-CE1 3.42Å; H199-Y201 VanDerWaalsContact CB-CE1 3.42Å; H199-Y201 HydrophobicContact CB-CG 4.41Å; H199-Y201 AromaticContact CD2-CE1 3.99Å; H199-Y201 AromaticContact CD2-CZ 3.68Å; H199-Y201 PolarHBondContact CD2-OH 3.04Å; H199-Y201 VanDerWaalsContact CD2-OH 3.24Å; H199-Y201 AromaticContact CG-CE1 3.48Å; H199-Y201 VanDerWaalsContact CG-CE1 3.48Å; H199-Y201 AromaticContact CG-CZ 3.69Å; H199-Y201 AromaticContact ND1-CE1 3.93Å; H199-Y201 PolarHBondContact NE2-OH 3.24Å
202M94.8Very high96.1Very high55 Ų5542.4 Ų42.427%0.27120%0.204SC..SBendtrans-138.9161.3173.1-70.8-174.2-56.700110.7S136 V204 L224S136-M202 WeakPolarHBondContact OG-CA 3.45Å; S136-M202 PolarHBondContact OG-N 2.88Å; S136-M202 PolarHBondContact OG-O 3.35Å; M202-V204 HydrophobicContact CB-CG2 3.86Å; M202-V204 HydrophobicContact CE-CG2 4Å; M202-V204 PolarHBondContact O-N 2.74Å; M202-L224 HydrophobicContact CB-CD1 4.07Å
203W97.7Very high95.9Very high1 Ų146.4 Ų46.40%0.00423%0.227CC..  trans-83.853.4175.9-63.7112.6000112M134 S135 F162 T197 L224 I225 F325 F327 I332M134-W203 PolarHBondContact O-NE1 3.32Å; S135-W203 VanDerWaalsContact C-NE1 3.29Å; F162-W203 AromaticContact CE1-CZ2 3.85Å; F162-W203 HydrophobicContact CE1-CZ2 3.85Å; F162-W203 AromaticContact CZ-CZ2 3.76Å; F162-W203 HydrophobicContact CZ-CZ2 3.76Å; F162-W203 AromaticContact CZ-NE1 3.91Å; T197-W203 HydrophobicContact CG2-CE3 3.7Å; T197-W203 HydrophobicContact CG2-CZ3 4.13Å; W203-L224 HydrophobicContact CB-CD1 4.45Å; W203-I225 PolarHBondContact O-N 2.86Å; W203-F325 HydrophobicContact CB-CD1 4.13Å; W203-F325 HydrophobicContact CB-CE1 3.93Å; W203-F325 AromaticContact CD1-CD1 3.85Å; W203-F325 AromaticContact CD1-CE1 3.98Å; W203-F325 HydrophobicContact CD2-CB 4.44Å; W203-F325 AromaticContact CD2-CD1 3.44Å; W203-F325 HydrophobicContact CD2-CD1 3.44Å; W203-F325 VanDerWaalsContact CD2-CD1 3.44Å; W203-F325 HydrophobicContact CD2-CE1 4.15Å; W203-F325 HydrophobicContact CD2-CG 4.39Å; W203-F325 AromaticContact CE2-CD1 3.66Å; W203-F325 HydrophobicContact CE3-CB 4.48Å; W203-F325 AromaticContact CE3-CD1 3.84Å; W203-F325 HydrophobicContact CE3-CD1 3.84Å; W203-F325 AromaticContact CG-CD1 3.55Å; W203-F325 HydrophobicContact CG-CD1 3.55Å; W203-F325 AromaticContact CG-CE1 3.75Å; W203-F325 HydrophobicContact CG-CE1 3.75Å; W203-F325 HydrophobicContact CH2-CB 3.85Å; W203-F325 HydrophobicContact CZ2-CB 3.8Å; W203-F325 HydrophobicContact CZ2-CD1 4.25Å; W203-F325 HydrophobicContact CZ2-CG 4.47Å; W203-F325 HydrophobicContact CZ3-CB 4.2Å; W203-F325 HydrophobicContact CZ3-CD1 4.4Å; W203-F325 AromaticContact NE1-CD1 3.87Å; W203-F327 HydrophobicContact CH2-CB 4.15Å; W203-F327 HydrophobicContact CH2-CD2 4.18Å; W203-F327 AromaticContact CZ2-CD2 3.96Å; W203-F327 HydrophobicContact CZ2-CD2 3.96Å; W203-I332 HydrophobicContact CB-CD1 3.9Å; W203-I332 HydrophobicContact CE3-CD1 4.37Å; W203-I332 HydrophobicContact CE3-CG1 3.99Å
204V97.7Very high95.7Very high7 Ų749.6 Ų49.64%0.04226%0.26CS..EExtended strand (participates in β ladder)trans-90.8126177.8179.50000109.3T197 V198 M202 A223 L224T197-V204 CarbonylContact C-O 3.45Å; T197-V204 WeakPolarHBondContact CA-O 3.46Å; V198-V204 HydrophobicContact CB-CG1 4.3Å; V198-V204 HydrophobicContact CG2-CG1 4.19Å; V198-V204 PolarHBondContact N-O 2.57Å; M202-V204 HydrophobicContact CB-CG2 3.86Å; M202-V204 HydrophobicContact CE-CG2 4Å; M202-V204 PolarHBondContact O-N 2.74Å; V204-A223 CarbonylContact C-O 3.56Å; V204-A223 WeakPolarHBondContact CA-O 3.27Å; V204-L224 HydrophobicContact CG2-CB 4.23Å; V204-L224 HydrophobicContact CG2-CD1 3.95Å
205I97.6Very high95.6Very high0 Ų049.7 Ų49.70%027%0.265CS..EExtended strand (participates in β ladder)trans-118.6157.6174.156.7172000110.8I195 T197 A223 I225 F272 I332I195-I205 HydrophobicContact CB-CB 4.5Å; I195-I205 HydrophobicContact CB-CG2 4.28Å; I195-I205 HydrophobicContact CD1-CD1 3.89Å; I195-I205 HydrophobicContact CG2-CB 3.87Å; I195-I205 HydrophobicContact CG2-CD1 4.47Å; I195-I205 HydrophobicContact CG2-CG2 4.06Å; T197-I205 HydrophobicContact CG2-CG2 4.39Å; I205-A223 HydrophobicContact CG1-CB 4.3Å; I205-A223 PolarHBondContact N-O 2.85Å; I205-A223 PolarHBondContact O-N 3.01Å; I205-I225 HydrophobicContact CD1-CD1 3.96Å; I205-I225 HydrophobicContact CD1-CG1 4.03Å; I205-I225 HydrophobicContact CG1-CD1 4.23Å; I205-I225 HydrophobicContact CG1-CG1 4.19Å; I205-F272 HydrophobicContact CD1-CD1 3.92Å; I205-F272 HydrophobicContact CD1-CE1 3.4Å; I205-F272 VanDerWaalsContact CD1-CE1 3.4Å; I205-F272 HydrophobicContact CD1-CZ 3.98Å; I205-F272 HydrophobicContact CG1-CE1 3.97Å; I205-I332 HydrophobicContact CD1-CD1 4.48Å; I205-I332 HydrophobicContact CG2-CB 4.09Å; I205-I332 HydrophobicContact CG2-CD1 3.63Å; I205-I332 HydrophobicContact CG2-CG1 3.87Å
206R97.6Very high95.6Very high140 Ų14052.2 Ų52.253%0.52828%0.277SS..EExtended strand (participates in β ladder)trans-82.2117.7176.5-177178.51741772110.1V198 V220 F272V198-R206 HydrophobicContact CG2-CB 4.44Å; R206-V220 HydrophobicContact CG-CG1 4.41Å; R206-V220 VanDerWaalsContact NE-CG1 3.31Å; R206-F272 WeakPolarHBondContact O-CD1 3.19Å
207M98Very high95.5Very high0 Ų048.1 Ų48.10%025%0.249CC..EExtended strand (participates in β ladder)trans-97.3126.7170.2-177.5165.166.100109.3L210 V220 C221 A223 F270 F272 W311M207-L210 HydrophobicContact CE-CB 4Å; M207-V220 CarbonylContact O-C 3.55Å; M207-V220 WeakPolarHBondContact O-CA 3.09Å; M207-C221 WeakPolarHBondContact CE-SG 3.35Å; M207-C221 PolarHBondContact N-O 2.99Å; M207-C221 PolarHBondContact O-N 3.48Å; M207-A223 HydrophobicContact CB-CB 4.14Å; M207-F270 HydrophobicContact CE-CD1 4.41Å; M207-F270 HydrophobicContact SD-CB 4.07Å; M207-F270 HydrophobicContact SD-CD1 3.62Å; M207-F270 HydrophobicContact SD-CG 4.33Å; M207-F272 HydrophobicContact CB-CD1 4.11Å; M207-F272 HydrophobicContact CB-CE1 3.79Å; M207-F272 HydrophobicContact CG-CD1 4.35Å; M207-F272 HydrophobicContact CG-CE1 4.05Å; M207-F272 HydrophobicContact CG-CZ 4.44Å; M207-F272 HydrophobicContact SD-CE1 4.41Å; M207-F272 HydrophobicContact SD-CZ 4.3Å; M207-W311 HydrophobicContact CE-CB 4.38Å; M207-W311 HydrophobicContact CE-CG 4.05Å
208L97.6Very high95.3Very high60 Ų6047.4 Ų47.431%0.31425%0.245SC..EExtended strand (participates in β ladder)trans-74.3-39.4-178.6-63.3-169.6000111.8V220 I271 F272L208-V220 PolarHBondContact O-N 3.46Å; L208-I271 WeakPolarHBondContact CA-O 3.35Å; L208-I271 HydrophobicContact CB-CG2 4.34Å; L208-I271 WeakPolarHBondContact CB-O 3.07Å; L208-I271 PolarHBondContact N-O 3.04Å; L208-F272 WeakPolarHBondContact CD1-O 3.48Å; L208-F272 VanDerWaalsContact CG-O 3.26Å; L208-F272 WeakPolarHBondContact CG-O 3.28Å
209S97.5Very high95.2Very high4 Ų448.9 Ų48.93%0.02825%0.25CS..EExtended strand (participates in β ladder)trans-160.5147.1-178.2-175.90000111.8R211 E216 C218 I271S209-R211 VanDerWaalsContact OG-CG 3.29Å; S209-R211 WeakPolarHBondContact OG-CG 3.32Å; S209-R211 PolarHBondContact OG-NE 2.84Å; S209-R211 VanDerWaalsContact OG-NE 3.13Å; S209-E216 WeakPolarHBondContact CB-OE1 3.33Å; S209-E216 WeakPolarHBondContact OG-CG 3.13Å; S209-E216 PolarHBondContact OG-OE1 2.9Å; S209-C218 WeakPolarHBondContact CA-O 3.17Å; S209-C218 PolarHBondContact OG-O 2.8Å; S209-I271 PolarHBondContact N-O 2.97Å; S209-I271 PolarHBondContact O-N 3.32Å
210L98Very high95.5Very high0 Ų048.7 Ų48.70%025%0.253CS..EExtended strand (participates in β ladder)trans-113.7119165.5172.660.5000108M207 F217 C218 I242 I268 E269 F270 F300 W311M207-L210 HydrophobicContact CE-CB 4Å; L210-F217 HydrophobicContact CB-CB 4.49Å; L210-F217 HydrophobicContact CD2-CB 4.2Å; L210-F217 HydrophobicContact CG-CB 4.27Å; L210-F217 PolarHBondContact O-N 2.86Å; L210-C218 HydrophobicContact CB-CB 4.26Å; L210-C218 PolarHBondContact N-O 2.85Å; L210-I242 HydrophobicContact CD2-CD1 4.05Å; L210-I268 HydrophobicContact CD1-CG2 3.62Å; L210-E269 WeakPolarHBondContact CA-O 3.34Å; L210-F270 HydrophobicContact CD1-CD1 3.8Å; L210-F270 HydrophobicContact CD1-CE1 3.54Å; L210-F270 HydrophobicContact CD1-CE2 4.37Å; L210-F270 HydrophobicContact CD1-CG 4.29Å; L210-F270 HydrophobicContact CD1-CZ 3.83Å; L210-F300 HydrophobicContact CD2-CE1 4.32Å; L210-W311 HydrophobicContact CD2-CD2 4.11Å; L210-W311 HydrophobicContact CD2-CE3 4.03Å; L210-W311 HydrophobicContact CD2-CH2 3.5Å; L210-W311 VanDerWaalsContact CD2-CH2 3.5Å; L210-W311 HydrophobicContact CD2-CZ2 3.55Å; L210-W311 HydrophobicContact CD2-CZ3 3.74Å
211R97.5Very high95.9Very high96 Ų9644.2 Ų44.236%0.36223%0.23SC..EExtended strand (participates in β ladder)trans-124.8141.3-177.1-59.8-174.7176.4175.3-4.5113.1S209 V215 E216 E269 I271S209-R211 VanDerWaalsContact OG-CG 3.29Å; S209-R211 WeakPolarHBondContact OG-CG 3.32Å; S209-R211 PolarHBondContact OG-NE 2.84Å; S209-R211 VanDerWaalsContact OG-NE 3.13Å; R211-V215 VanDerWaalsContact CA-O 3.23Å; R211-V215 WeakPolarHBondContact CA-O 3.38Å; R211-E216 HydrophobicContact CG-CB 4.45Å; R211-E216 IonicContact CZ-OE1 3.46Å; R211-E216 IonicContact NE-OE1 3.51Å; R211-E216 PolarHBondContact NE-OE1 3Å; R211-E216 IonicContact NH2-OE1 3.77Å; R211-E216 PolarHBondContact NH2-OE1 2.89Å; R211-E269 HydrophobicContact CB-CB 4.3Å; R211-E269 PolarHBondContact N-O 3.3Å; R211-E269 PolarHBondContact O-N 2.78Å; R211-I271 HydrophobicContact CG-CD1 4.29Å
212I96.9Very high96.2Very high0 Ų041.5 Ų41.50%022%0.224CC..EExtended strand (participates in β ladder)trans-137.4122.7171.8-50.8176.8000107.2G214 V215 F217 I242 L245 L246 P266 I268 F300I212-G214 PolarHBondContact O-N 3.24Å; I212-V215 PolarHBondContact N-O 2.87Å; I212-V215 WeakPolarHBondContact O-CB 3.24Å; I212-V215 PolarHBondContact O-N 2.82Å; I212-F217 HydrophobicContact CB-CD2 4.44Å; I212-F217 HydrophobicContact CB-CE2 3.84Å; I212-F217 HydrophobicContact CD1-CD2 4.36Å; I212-F217 HydrophobicContact CD1-CE2 4.13Å; I212-F217 HydrophobicContact CG1-CD2 4.2Å; I212-F217 HydrophobicContact CG1-CE2 4.02Å; I212-I242 HydrophobicContact CD1-CB 4.32Å; I212-I242 HydrophobicContact CD1-CD1 4.17Å; I212-I242 HydrophobicContact CD1-CG1 3.95Å; I212-I242 HydrophobicContact CD1-CG2 3.52Å; I212-L245 HydrophobicContact CB-CD2 3.87Å; I212-L245 HydrophobicContact CG2-CD2 3.7Å; I212-L246 HydrophobicContact CG2-CD2 4.01Å; I212-P266 HydrophobicContact CG2-CB 3.97Å; I212-P266 HydrophobicContact CG2-CG 3.46Å; I212-P266 VanDerWaalsContact CG2-CG 3.46Å; I212-I268 HydrophobicContact CD1-CG1 4.14Å; I212-I268 HydrophobicContact CD1-CG2 4.33Å; I212-I268 HydrophobicContact CG1-CB 4.39Å; I212-I268 HydrophobicContact CG1-CG1 4.17Å; I212-I268 HydrophobicContact CG1-CG2 4.05Å; I212-F300 HydrophobicContact CD1-CE2 4.07Å; I212-F300 HydrophobicContact CD1-CZ 4.11Å
213N92.4Very high96.3Very high119 Ų11938.9 Ų38.964%0.63621%0.211SC*.THydrogen-bonded Turntrans49.440.5-175.1-84.9-7.8000114V215 P266N213-V215 PolarHBondContact O-N 3.17Å; N213-P266 HydrophobicContact CB-CB 4.44Å; N213-P266 WeakPolarHBondContact ND2-CB 3.17Å; N213-P266 WeakPolarHBondContact OD1-CB 3.32Å
214G92.3Very high96.3Very high70 Ų7039.8 Ų39.872%0.72222%0.216SC*.THydrogen-bonded Turntrans75.1-5.1-17900000115.2I212I212-G214 PolarHBondContact O-N 3.24Å
215V96.4Very high96.4Very high43 Ų4339.4 Ų39.426%0.26121%0.214SC..EExtended strand (participates in β ladder)trans-83.6129.2173.4-175.80000109.4R211 I212 N213 F217 L245R211-V215 VanDerWaalsContact CA-O 3.23Å; R211-V215 WeakPolarHBondContact CA-O 3.38Å; I212-V215 PolarHBondContact N-O 2.87Å; I212-V215 WeakPolarHBondContact O-CB 3.24Å; I212-V215 PolarHBondContact O-N 2.82Å; N213-V215 PolarHBondContact O-N 3.17Å; V215-F217 HydrophobicContact CB-CE2 3.89Å; V215-F217 HydrophobicContact CB-CZ 4.24Å; V215-F217 HydrophobicContact CG1-CD2 4.48Å; V215-F217 HydrophobicContact CG1-CE1 4.46Å; V215-F217 HydrophobicContact CG1-CE2 3.84Å; V215-F217 HydrophobicContact CG1-CZ 3.86Å; V215-F217 WeakPolarHBondContact O-CD2 3.36Å; V215-L245 HydrophobicContact CG2-CD1 4.49Å
216E96.6Very high96.4Very high61 Ų6140.1 Ų40.129%0.28522%0.218SC..EExtended strand (participates in β ladder)trans-91129.3177.6-174163.6-8500111.2S209 R211 C218 N219S209-E216 WeakPolarHBondContact CB-OE1 3.33Å; S209-E216 WeakPolarHBondContact OG-CG 3.13Å; S209-E216 PolarHBondContact OG-OE1 2.9Å; R211-E216 HydrophobicContact CG-CB 4.45Å; R211-E216 IonicContact CZ-OE1 3.46Å; R211-E216 IonicContact NE-OE1 3.51Å; R211-E216 PolarHBondContact NE-OE1 3Å; R211-E216 IonicContact NH2-OE1 3.77Å; R211-E216 PolarHBondContact NH2-OE1 2.89Å; E216-C218 WeakPolarHBondContact CG-O 3.31Å; E216-N219 WeakPolarHBondContact OE2-CB 3.37Å; E216-N219 PolarHBondContact OE2-ND2 3.46Å
217F96.1Very high96.4Very high8 Ų833.6 Ų33.64%0.03519%0.194CC..EExtended strand (participates in β ladder)trans-113.3-14.2-178.2-68.9-84.1000113.7L210 I212 V215 Q238 R241 I242 L245L210-F217 HydrophobicContact CB-CB 4.49Å; L210-F217 HydrophobicContact CD2-CB 4.2Å; L210-F217 HydrophobicContact CG-CB 4.27Å; L210-F217 PolarHBondContact O-N 2.86Å; I212-F217 HydrophobicContact CB-CD2 4.44Å; I212-F217 HydrophobicContact CB-CE2 3.84Å; I212-F217 HydrophobicContact CD1-CD2 4.36Å; I212-F217 HydrophobicContact CD1-CE2 4.13Å; I212-F217 HydrophobicContact CG1-CD2 4.2Å; I212-F217 HydrophobicContact CG1-CE2 4.02Å; V215-F217 HydrophobicContact CB-CE2 3.89Å; V215-F217 HydrophobicContact CB-CZ 4.24Å; V215-F217 HydrophobicContact CG1-CD2 4.48Å; V215-F217 HydrophobicContact CG1-CE1 4.46Å; V215-F217 HydrophobicContact CG1-CE2 3.84Å; V215-F217 HydrophobicContact CG1-CZ 3.86Å; V215-F217 WeakPolarHBondContact O-CD2 3.36Å; F217-Q238 WeakPolarHBondContact O-CG 3.35Å; F217-Q238 PolarHBondContact O-OE1 2.73Å; F217-R241 HydrophobicContact CE1-CB 3.95Å; F217-R241 HydrophobicContact CE1-CG 3.8Å; F217-I242 HydrophobicContact CB-CD1 4.16Å; F217-I242 HydrophobicContact CB-CG1 4.38Å; F217-I242 HydrophobicContact CD1-CD1 3.98Å; F217-I242 HydrophobicContact CD1-CG1 3.31Å; F217-I242 HydrophobicContact CD2-CD1 4.36Å; F217-I242 HydrophobicContact CD2-CG1 3.95Å; F217-I242 HydrophobicContact CE1-CB 4.26Å; F217-I242 HydrophobicContact CE1-CD1 4.47Å; F217-I242 HydrophobicContact CE1-CG1 3.35Å; F217-I242 HydrophobicContact CE2-CG1 4.02Å; F217-I242 HydrophobicContact CG-CD1 3.9Å; F217-I242 HydrophobicContact CG-CG1 3.61Å; F217-I242 HydrophobicContact CZ-CG1 3.72Å; F217-L245 HydrophobicContact CE2-CD2 4.11Å; F217-L245 HydrophobicContact CZ-CB 4.5Å; F217-L245 HydrophobicContact CZ-CD2 3.9Å
218C93.6Very high96.2Very high5 Ų534.9 Ų34.93%0.03421%0.207CC..EExtended strand (participates in β ladder)trans-142.5143.3166.1132.10000107.9S209 L210 E216 C221S209-C218 WeakPolarHBondContact CA-O 3.17Å; S209-C218 PolarHBondContact OG-O 2.8Å; L210-C218 HydrophobicContact CB-CB 4.26Å; L210-C218 PolarHBondContact N-O 2.85Å; E216-C218 WeakPolarHBondContact CG-O 3.31Å; C218-C221 HydrophobicContact CB-CB 3.85Å; C218-C221 WeakPolarHBondContact CB-SG 3.5Å; C218-C221 WeakPolarHBondContact SG-CB 3.36Å; C218-C221 PolarHBondContact SG-N 2.74Å; C218-C221 VanDerWaalsContact SG-N 3.42Å; C218-C221 CovalentContact SG-SG 2.01Å; C218-C221 PolarHBondContact SG-SG 2.9Å
219N91.8Very high96Very high105 Ų10532.9 Ų32.956%0.56120%0.197SC*.EExtended strand (participates in β ladder)trans-123.3113.5167-170.9-44.5000107.6E216E216-N219 WeakPolarHBondContact OE2-CB 3.37Å; E216-N219 PolarHBondContact OE2-ND2 3.46Å
220V95.9Very high95.8Very high56 Ų5634.1 Ų34.134%0.33921%0.206SC..EExtended strand (participates in β ladder)trans48.882.6-174.5-179.30000111.8R206 M207 L208 N309R206-V220 HydrophobicContact CG-CG1 4.41Å; R206-V220 VanDerWaalsContact NE-CG1 3.31Å; M207-V220 CarbonylContact O-C 3.55Å; M207-V220 WeakPolarHBondContact O-CA 3.09Å; L208-V220 PolarHBondContact O-N 3.46Å; V220-N309 PolarHBondContact O-ND2 3.16Å
221C96.9Very high95.6Very high4 Ų434.5 Ų34.53%0.02721%0.208CC..EExtended strand (participates in β ladder)trans-117.3168.1178.950.70000112.8M207 C218 N309 W311M207-C221 WeakPolarHBondContact CE-SG 3.35Å; M207-C221 PolarHBondContact N-O 2.99Å; M207-C221 PolarHBondContact O-N 3.48Å; C218-C221 HydrophobicContact CB-CB 3.85Å; C218-C221 WeakPolarHBondContact CB-SG 3.5Å; C218-C221 WeakPolarHBondContact SG-CB 3.36Å; C218-C221 PolarHBondContact SG-N 2.74Å; C218-C221 VanDerWaalsContact SG-N 3.42Å; C218-C221 CovalentContact SG-SG 2.01Å; C218-C221 PolarHBondContact SG-SG 2.9Å; C221-N309 WeakPolarHBondContact CA-O 3.11Å; C221-N309 WeakPolarHBondContact CB-O 3.44Å; C221-N309 WeakPolarHBondContact CB-OD1 3.35Å; C221-W311 VanDerWaalsContact SG-CD1 3.56Å
222S97Very high95.6Very high37 Ų3729.9 Ų29.926%0.25919%0.19SC..EExtended strand (participates in β ladder)trans-87.5136.3168.5-680000109.8N309 T310 W311S222-N309 PolarHBondContact N-O 2.62Å; S222-T310 CarbonylContact O-C 3.53Å; S222-T310 WeakPolarHBondContact O-CA 3.2Å; S222-W311 PolarHBondContact O-N 2.59Å
223A97.9Very high95.6Very high0 Ų030.3 Ų30.30%019%0.193CC..EExtended strand (participates in β ladder)trans-125.6113.9173.500000109.2V204 I205 M207 W311 L313V204-A223 CarbonylContact C-O 3.56Å; V204-A223 WeakPolarHBondContact CA-O 3.27Å; I205-A223 HydrophobicContact CG1-CB 4.3Å; I205-A223 PolarHBondContact N-O 2.85Å; I205-A223 PolarHBondContact O-N 3.01Å; M207-A223 HydrophobicContact CB-CB 4.14Å; A223-W311 CarbonylContact C-O 3.41Å; A223-W311 WeakPolarHBondContact CA-O 3.16Å; A223-L313 HydrophobicContact CB-CD1 3.93Å; A223-L313 HydrophobicContact CB-CG 4.11Å
224L97.7Very high95.8Very high20 Ų2024.7 Ų24.711%0.10516%0.162CC..EExtended strand (participates in β ladder)trans-78.7128.7168.1176.564.4000108.7M202 W203 V204 D226 W311 V312 L313M202-L224 HydrophobicContact CB-CD1 4.07Å; W203-L224 HydrophobicContact CB-CD1 4.45Å; V204-L224 HydrophobicContact CG2-CB 4.23Å; V204-L224 HydrophobicContact CG2-CD1 3.95Å; L224-D226 HydrophobicContact CD2-CB 4.25Å; L224-D226 HydrophobicContact CG-CB 4.15Å; L224-W311 PolarHBondContact N-O 3.39Å; L224-V312 HydrophobicContact CB-CG2 4.41Å; L224-V312 HydrophobicContact CD2-CG1 4.36Å; L224-V312 HydrophobicContact CD2-CG2 4.36Å; L224-V312 WeakPolarHBondContact O-CA 3.26Å; L224-L313 PolarHBondContact O-N 2.89Å
225I98.3Very high95.9Very high0 Ų022.4 Ų22.40%014%0.135CC..EExtended strand (participates in β ladder)trans-94.7114.7171.7-50.2-53.9000108.6T42 W203 I205 L313 M318 T323 F325 I332T42-I225 PolarHBondContact OG1-O 2.87Å; W203-I225 PolarHBondContact O-N 2.86Å; I205-I225 HydrophobicContact CD1-CD1 3.96Å; I205-I225 HydrophobicContact CD1-CG1 4.03Å; I205-I225 HydrophobicContact CG1-CD1 4.23Å; I205-I225 HydrophobicContact CG1-CG1 4.19Å; I225-L313 HydrophobicContact CD1-CB 3.78Å; I225-L313 HydrophobicContact CD1-CD1 3.74Å; I225-L313 HydrophobicContact CD1-CG 4.11Å; I225-M318 HydrophobicContact CG2-CE 4.17Å; I225-M318 HydrophobicContact CG2-CG 4.03Å; I225-M318 HydrophobicContact CG2-SD 3.59Å; I225-M318 VanDerWaalsContact CG2-SD 3.59Å; I225-T323 HydrophobicContact CG2-CG2 3.98Å; I225-F325 HydrophobicContact CB-CE1 4.18Å; I225-F325 HydrophobicContact CB-CZ 4.43Å; I225-F325 HydrophobicContact CG2-CE1 4.07Å; I225-F325 HydrophobicContact CG2-CZ 3.83Å; I225-I332 HydrophobicContact CB-CD1 3.75Å; I225-I332 HydrophobicContact CG1-CD1 3.33Å; I225-I332 HydrophobicContact CG1-CG2 4.5Å
226D97.7Very high95.9Very high14 Ų1421.6 Ų21.68%0.07513%0.13CC..  trans-134.6103.4-163-1749.8000113.1D41 T42 G43 L224 G228 T229 V312 L313 G314D41-D226 VanDerWaalsContact OD1-OD1 3.06Å; T42-D226 VanDerWaalsContact OG1-CA 3.29Å; T42-D226 WeakPolarHBondContact OG1-CA 3.37Å; G43-D226 WeakPolarHBondContact CA-OD1 3.44Å; G43-D226 PolarHBondContact N-OD1 2.85Å; L224-D226 HydrophobicContact CD2-CB 4.25Å; L224-D226 HydrophobicContact CG-CB 4.15Å; D226-G228 PolarHBondContact O-N 2.92Å; D226-G228 WeakPolarHBondContact OD1-CA 3.34Å; D226-G228 PolarHBondContact OD1-N 3.16Å; D226-T229 PolarHBondContact O-N 2.77Å; D226-T229 WeakPolarHBondContact OD2-CB 3.43Å; D226-T229 PolarHBondContact OD2-OG1 2.92Å; D226-V312 HydrophobicContact CB-CG1 3.49Å; D226-V312 VanDerWaalsContact CB-CG1 3.49Å; D226-L313 PolarHBondContact N-O 2.97Å; D226-G314 VanDerWaalsContact O-CA 3.29Å; D226-G314 WeakPolarHBondContact O-CA 3.43Å
227T97.5Very high95.8Very high4 Ų425 Ų253%0.02515%0.146CC..THydrogen-bonded Turntrans-69.3-11.9173.753.30000113.7F40 D41 T42 F164 T229 M318 F325F40-T227 WeakPolarHBondContact O-CB 3.33Å; F40-T227 PolarHBondContact O-OG1 2.98Å; D41-T227 WeakPolarHBondContact CA-OG1 3.36Å; T42-T227 HydrophobicContact CG2-CG2 4.09Å; T42-T227 PolarHBondContact N-OG1 3.02Å; T42-T227 PolarHBondContact OG1-N 3.01Å; T42-T227 PolarHBondContact OG1-OG1 2.79Å; F164-T227 HydrophobicContact CD1-CG2 3.93Å; F164-T227 HydrophobicContact CD2-CG2 3.93Å; F164-T227 HydrophobicContact CE1-CG2 3.97Å; F164-T227 HydrophobicContact CE2-CG2 3.95Å; F164-T227 HydrophobicContact CG-CG2 3.89Å; F164-T227 HydrophobicContact CZ-CG2 3.96Å; T227-T229 VanDerWaalsContact C-N 3.34Å; T227-M318 HydrophobicContact CG2-CE 3.34Å; T227-M318 HydrophobicContact CG2-SD 3.72Å; T227-F325 HydrophobicContact CG2-CE2 4.45Å; T227-F325 HydrophobicContact CG2-CZ 4.42Å
228G94.8Very high95.8Very high27 Ų2726.5 Ų26.528%0.27815%0.154SC..THydrogen-bonded Turntrans-84.9-8.2173.900000113.9D226D226-G228 PolarHBondContact O-N 2.92Å; D226-G228 WeakPolarHBondContact OD1-CA 3.34Å; D226-G228 PolarHBondContact OD1-N 3.16Å
229T94.4Very high95.9Very high17 Ų1726.3 Ų26.310%0.10415%0.152CC..  trans-109126.3-179.1-71.30000110.2D226 T227 L231 L233 V312 G314 D315D226-T229 PolarHBondContact O-N 2.77Å; D226-T229 WeakPolarHBondContact OD2-CB 3.43Å; D226-T229 PolarHBondContact OD2-OG1 2.92Å; T227-T229 VanDerWaalsContact C-N 3.34Å; T229-L231 WeakPolarHBondContact CG2-O 3.27Å; T229-L233 HydrophobicContact CG2-CD1 3.96Å; T229-L233 HydrophobicContact CG2-CD2 4.39Å; T229-L233 HydrophobicContact CG2-CG 3.83Å; T229-V312 HydrophobicContact CG2-CG1 3.94Å; T229-G314 CarbonylContact O-C 3.59Å; T229-G314 WeakPolarHBondContact O-CA 3.2Å; T229-D315 PolarHBondContact O-N 3.04Å
230S92.3Very high96Very high30 Ų3028.9 Ų28.921%0.2115%0.154CC..SBendtrans-73.3-30.4179.8-38.80000113.8F21 A316F21-S230 WeakPolarHBondContact O-CB 3.32Å; F21-S230 PolarHBondContact O-OG 2.85Å; S230-A316 PolarHBondContact O-N 3.37Å
231L94.2Very high96.1Very high8 Ų832.1 Ų32.14%0.04216%0.16CC..SBendtrans-115.4-168.3-166.1-61.4-178.9000112.7F21 T229 L233 V286 P299 E301 G314F21-L231 HydrophobicContact CE1-CD2 4.14Å; T229-L231 WeakPolarHBondContact CG2-O 3.27Å; L231-L233 HydrophobicContact CB-CD2 4.41Å; L231-V286 HydrophobicContact CD2-CG2 3.93Å; L231-P299 WeakPolarHBondContact CB-O 3.43Å; L231-E301 HydrophobicContact CD1-CB 3.92Å; L231-E301 WeakPolarHBondContact CD1-OE2 3.25Å; L231-G314 VanDerWaalsContact O-CA 3.26Å; L231-G314 WeakPolarHBondContact O-CA 3.39Å; L231-G314 PolarHBondContact O-N 2.96Å
232I96.6Very high96Very high0 Ų031.9 Ų31.90%016%0.159CC..EExtended strand (participates in β ladder)trans-106.9106.9170.5-53.3-176000108.1F270 L279 P299 F300 E301 W311 V312 L313 A316I232-F270 HydrophobicContact CD1-CE1 4.28Å; I232-F270 HydrophobicContact CD1-CE2 4.45Å; I232-F270 HydrophobicContact CD1-CZ 3.6Å; I232-L279 HydrophobicContact CD1-CD1 4.02Å; I232-P299 WeakPolarHBondContact CA-O 3.33Å; I232-P299 WeakPolarHBondContact CB-O 3.45Å; I232-P299 HydrophobicContact CD1-CB 4.47Å; I232-P299 PolarHBondContact N-O 3.1Å; I232-F300 HydrophobicContact CB-CD1 3.89Å; I232-F300 HydrophobicContact CB-CE1 4.07Å; I232-F300 HydrophobicContact CD1-CE1 4.28Å; I232-F300 HydrophobicContact CG2-CD1 3.75Å; I232-F300 HydrophobicContact CG2-CE1 3.65Å; I232-F300 WeakPolarHBondContact O-CA 3.41Å; I232-E301 PolarHBondContact O-N 2.85Å; I232-W311 HydrophobicContact CG2-CE3 3.95Å; I232-W311 HydrophobicContact CG2-CZ3 4.32Å; I232-V312 CarbonylContact C-O 3.56Å; I232-V312 WeakPolarHBondContact CA-O 3.2Å; I232-L313 HydrophobicContact CG2-CD2 3.96Å; I232-A316 HydrophobicContact CD1-CB 4.5Å; I232-A316 HydrophobicContact CG1-CB 4.06Å
233L96.6Very high96Very high9 Ų930.3 Ų30.35%0.04715%0.147CC..EExtended strand (participates in β ladder)trans-90.9143.9177.7-46.8-178.1000110L87 T229 L231 E301 H303 L306 W311 V312L87-L233 HydrophobicContact CD2-CD1 4.47Å; T229-L233 HydrophobicContact CG2-CD1 3.96Å; T229-L233 HydrophobicContact CG2-CD2 4.39Å; T229-L233 HydrophobicContact CG2-CG 3.83Å; L231-L233 HydrophobicContact CB-CD2 4.41Å; L233-E301 WeakPolarHBondContact CA-O 3.44Å; L233-E301 HydrophobicContact CD2-CB 3.76Å; L233-E301 HydrophobicContact CD2-CG 4.41Å; L233-H303 HydrophobicContact CB-CB 4.29Å; L233-H303 HydrophobicContact CD1-CB 4.42Å; L233-L306 HydrophobicContact CB-CD1 3.85Å; L233-W311 CarbonylContact O-C 3.47Å; L233-W311 VanDerWaalsContact O-CA 3.31Å; L233-W311 WeakPolarHBondContact O-CA 3.32Å; L233-V312 HydrophobicContact CB-CB 3.89Å; L233-V312 HydrophobicContact CB-CG2 4.12Å; L233-V312 HydrophobicContact CD1-CB 4.33Å; L233-V312 HydrophobicContact CD1-CG2 4.33Å; L233-V312 HydrophobicContact CG-CB 4.16Å; L233-V312 PolarHBondContact N-O 3.13Å; L233-V312 PolarHBondContact O-N 3.3Å
234G97Very high95.8Very high0 Ų035 Ų350%018%0.18CC..EExtended strand (participates in β ladder)trans-159.2-179178.100000114.3E301 H303G234-E301 PolarHBondContact N-O 2.82Å; G234-H303 PolarHBondContact O-N 2.74Å; G234-H303 VanDerWaalsContact O-N 3.14Å
235P95.8Very high95.6Very high22 Ų2237.5 Ų37.514%0.14319%0.193CC..  trans-59.9132.6-178.3-23.535.2000110.8E237 Q238 V239 T310P235-E237 PolarHBondContact O-N 3.37Å; P235-E237 VanDerWaalsContact O-N 3.07Å; P235-Q238 HydrophobicContact CB-CB 4.43Å; P235-Q238 HydrophobicContact CB-CG 4.27Å; P235-Q238 PolarHBondContact O-N 2.82Å; P235-V239 PolarHBondContact O-N 2.94Å; P235-T310 WeakPolarHBondContact CD-O 3.29Å
236P94.7Very high95.4Very high26 Ų2638 Ų3817%0.16920%0.195CC..Hα-helixtrans-56.1-32.7-172.2-29.934.9000115.3R240 P302 Y304P236-R240 WeakPolarHBondContact O-CB 3.35Å; P236-R240 VanDerWaalsContact O-CG 3.26Å; P236-R240 WeakPolarHBondContact O-CG 3.47Å; P236-R240 PolarHBondContact O-N 2.78Å; P236-R240 VanDerWaalsContact O-N 3.14Å; P236-R240 PolarHBondContact O-NE 2.93Å; P236-R240 VanDerWaalsContact O-NE 3.13Å; P236-P302 HydrophobicContact CB-CB 3.93Å; P236-P302 HydrophobicContact CG-CB 4.23Å; P236-Y304 HydrophobicContact CB-CD1 4.37Å; P236-Y304 HydrophobicContact CB-CE1 3.99Å; P236-Y304 HydrophobicContact CG-CD1 3.72Å; P236-Y304 HydrophobicContact CG-CD2 4.48Å; P236-Y304 HydrophobicContact CG-CE1 3.85Å; P236-Y304 HydrophobicContact CG-CG 4.07Å
237E94.3Very high95.1Very high133 Ų13339.8 Ų39.862%0.62122%0.217SC*.Hα-helixtrans-68.2-47.6175.4-169.6-169.8159.700112.1P235 R240 R241P235-E237 PolarHBondContact O-N 3.37Å; P235-E237 VanDerWaalsContact O-N 3.07Å; E237-R240 PolarHBondContact O-N 2.81Å; E237-R241 PolarHBondContact O-N 3.1Å
238Q95.9Very high94.9Very high40 Ų4040.6 Ų40.619%0.18722%0.222CC..Hα-helixtrans-67.1-42.9-179.3-61.1-55-33.400110.8F217 P235 R240 R241 I242 W311F217-Q238 WeakPolarHBondContact O-CG 3.35Å; F217-Q238 PolarHBondContact O-OE1 2.73Å; P235-Q238 HydrophobicContact CB-CB 4.43Å; P235-Q238 HydrophobicContact CB-CG 4.27Å; P235-Q238 PolarHBondContact O-N 2.82Å; Q238-R240 PolarHBondContact O-N 2.78Å; Q238-R241 PolarHBondContact O-N 3.22Å; Q238-I242 VanDerWaalsContact O-CG1 3.32Å; Q238-I242 WeakPolarHBondContact O-CG1 3.32Å; Q238-I242 PolarHBondContact O-N 2.94Å; Q238-W311 HydrophobicContact CB-CH2 4.1Å; Q238-W311 HydrophobicContact CB-CZ2 3.91Å
239V96.2Very high94.7Very high1 Ų144 Ų441%0.00623%0.234CC..Hα-helixtrans-62.9-41.9177.5172.60000111.7P235 R241 I242 N243 F300 P302 W311P235-V239 PolarHBondContact O-N 2.94Å; V239-R241 VanDerWaalsContact C-N 3.32Å; V239-R241 PolarHBondContact O-N 3.05Å; V239-I242 PolarHBondContact O-N 3.12Å; V239-N243 VanDerWaalsContact CG1-ND2 3.35Å; V239-N243 WeakPolarHBondContact CG1-ND2 3.44Å; V239-N243 WeakPolarHBondContact O-CB 3.42Å; V239-N243 PolarHBondContact O-N 2.96Å; V239-N243 PolarHBondContact O-ND2 3.27Å; V239-F300 HydrophobicContact CG1-CB 3.96Å; V239-P302 HydrophobicContact CB-CB 4.13Å; V239-P302 HydrophobicContact CG1-CB 4.12Å; V239-P302 HydrophobicContact CG1-CG 4.4Å; V239-W311 HydrophobicContact CG2-CH2 4.24Å; V239-W311 HydrophobicContact CG2-CZ3 4.12Å
240R95.2Very high94.4Very high158 Ų15848.9 Ų48.960%0.59626%0.26SS*.Hα-helixtrans-60.2-42.9174-79.5-176.5-69.7163-3.1111.8P236 E237 Q238 N243 S244P236-R240 WeakPolarHBondContact O-CB 3.35Å; P236-R240 VanDerWaalsContact O-CG 3.26Å; P236-R240 WeakPolarHBondContact O-CG 3.47Å; P236-R240 PolarHBondContact O-N 2.78Å; P236-R240 VanDerWaalsContact O-N 3.14Å; P236-R240 PolarHBondContact O-NE 2.93Å; P236-R240 VanDerWaalsContact O-NE 3.13Å; E237-R240 PolarHBondContact O-N 2.81Å; Q238-R240 PolarHBondContact O-N 2.78Å; R240-N243 PolarHBondContact O-N 2.73Å; R240-S244 WeakPolarHBondContact O-CB 3.37Å; R240-S244 PolarHBondContact O-N 2.84Å
241R96.1Very high93.9Very high124 Ų12451.7 Ų51.747%0.46827%0.267SS..Hα-helixtrans-65.1-40.4177.6-165.6-177167.3-151-1.1112F217 E237 Q238 V239 S244 L245F217-R241 HydrophobicContact CE1-CB 3.95Å; F217-R241 HydrophobicContact CE1-CG 3.8Å; E237-R241 PolarHBondContact O-N 3.1Å; Q238-R241 PolarHBondContact O-N 3.22Å; V239-R241 VanDerWaalsContact C-N 3.32Å; V239-R241 PolarHBondContact O-N 3.05Å; R241-S244 PolarHBondContact O-N 2.83Å; R241-L245 WeakPolarHBondContact O-CB 3.18Å; R241-L245 PolarHBondContact O-N 2.93Å
242I96.7Very high93.3Very high0 Ų059.8 Ų59.80%030%0.302CS..Hα-helixtrans-61.8-53.4174.1-70172.5000110.4L210 I212 F217 Q238 V239 S244 L245 L246 F300 W311L210-I242 HydrophobicContact CD2-CD1 4.05Å; I212-I242 HydrophobicContact CD1-CB 4.32Å; I212-I242 HydrophobicContact CD1-CD1 4.17Å; I212-I242 HydrophobicContact CD1-CG1 3.95Å; I212-I242 HydrophobicContact CD1-CG2 3.52Å; F217-I242 HydrophobicContact CB-CD1 4.16Å; F217-I242 HydrophobicContact CB-CG1 4.38Å; F217-I242 HydrophobicContact CD1-CD1 3.98Å; F217-I242 HydrophobicContact CD1-CG1 3.31Å; F217-I242 HydrophobicContact CD2-CD1 4.36Å; F217-I242 HydrophobicContact CD2-CG1 3.95Å; F217-I242 HydrophobicContact CE1-CB 4.26Å; F217-I242 HydrophobicContact CE1-CD1 4.47Å; F217-I242 HydrophobicContact CE1-CG1 3.35Å; F217-I242 HydrophobicContact CE2-CG1 4.02Å; F217-I242 HydrophobicContact CG-CD1 3.9Å; F217-I242 HydrophobicContact CG-CG1 3.61Å; F217-I242 HydrophobicContact CZ-CG1 3.72Å; Q238-I242 VanDerWaalsContact O-CG1 3.32Å; Q238-I242 WeakPolarHBondContact O-CG1 3.32Å; Q238-I242 PolarHBondContact O-N 2.94Å; V239-I242 PolarHBondContact O-N 3.12Å; I242-S244 PolarHBondContact O-N 2.73Å; I242-L245 WeakPolarHBondContact O-CB 3.19Å; I242-L245 PolarHBondContact O-N 2.93Å; I242-L246 HydrophobicContact CG2-CD1 3.64Å; I242-L246 HydrophobicContact CG2-CG 4.14Å; I242-L246 WeakPolarHBondContact O-CG 3.41Å; I242-L246 PolarHBondContact O-N 3.34Å; I242-F300 HydrophobicContact CD1-CD1 4.12Å; I242-F300 HydrophobicContact CD1-CE1 3.92Å; I242-F300 HydrophobicContact CD1-CZ 4.15Å; I242-F300 HydrophobicContact CG2-CD2 3.42Å; I242-F300 VanDerWaalsContact CG2-CD2 3.42Å; I242-F300 HydrophobicContact CG2-CE2 3.55Å; I242-F300 HydrophobicContact CG2-CG 3.95Å; I242-F300 HydrophobicContact CG2-CZ 4.17Å; I242-W311 HydrophobicContact CD1-CH2 3.58Å; I242-W311 HydrophobicContact CD1-CZ3 4.18Å
243N95.6Very high92.6Very high4 Ų469.3 Ų69.32%0.02135%0.346CS..Hα-helixtrans-61.1-32.8-178.6-82-40.7000112.3V239 R240 G247 T248 K255 S298 F300V239-N243 VanDerWaalsContact CG1-ND2 3.35Å; V239-N243 WeakPolarHBondContact CG1-ND2 3.44Å; V239-N243 WeakPolarHBondContact O-CB 3.42Å; V239-N243 PolarHBondContact O-N 2.96Å; V239-N243 PolarHBondContact O-ND2 3.27Å; R240-N243 PolarHBondContact O-N 2.73Å; N243-G247 PolarHBondContact O-N 1.96Å; N243-T248 HydrophobicContact CB-CG2 4.29Å; N243-T248 WeakPolarHBondContact CB-OG1 3.47Å; N243-T248 PolarHBondContact O-N 2.82Å; N243-T248 PolarHBondContact O-OG1 3.47Å; N243-K255 HydrophobicContact CB-CG 4.2Å; N243-S298 VanDerWaalsContact OD1-CB 3.3Å; N243-S298 WeakPolarHBondContact OD1-CB 3.42Å; N243-S298 PolarHBondContact OD1-OG 3.15Å; N243-F300 PolarHBondContact ND2-O 3.42Å
244S94.3Very high92Very high97 Ų9772.2 Ų72.268%0.67836%0.356SS*.Hα-helixtrans-68.7-43.8170.8-176.40000112.5R240 R241 I242 L246 G247R240-S244 WeakPolarHBondContact O-CB 3.37Å; R240-S244 PolarHBondContact O-N 2.84Å; R241-S244 PolarHBondContact O-N 2.83Å; I242-S244 PolarHBondContact O-N 2.73Å; S244-L246 VanDerWaalsContact C-N 3.29Å; S244-L246 PolarHBondContact O-N 2.83Å; S244-G247 PolarHBondContact O-N 2.82Å
245L94.2Very high91.8Very high74 Ų7475.5 Ų75.539%0.38737%0.371SS..Hα-helixtrans-61.4-39.6177-175.283.9000111.4I212 V215 F217 R241 I242 G247I212-L245 HydrophobicContact CB-CD2 3.87Å; I212-L245 HydrophobicContact CG2-CD2 3.7Å; V215-L245 HydrophobicContact CG2-CD1 4.49Å; F217-L245 HydrophobicContact CE2-CD2 4.11Å; F217-L245 HydrophobicContact CZ-CB 4.5Å; F217-L245 HydrophobicContact CZ-CD2 3.9Å; R241-L245 WeakPolarHBondContact O-CB 3.18Å; R241-L245 PolarHBondContact O-N 2.93Å; I242-L245 WeakPolarHBondContact O-CB 3.19Å; I242-L245 PolarHBondContact O-N 2.93Å; L245-G247 PolarHBondContact O-N 3.49Å
246L93.5Very high91.6Very high9 Ų975 Ų755%0.04737%0.368CS..THydrogen-bonded Turntrans-76.7-7.1179.9-62.1175.9000113.2I212 I242 S244 T248 F257 P266 F300I212-L246 HydrophobicContact CG2-CD2 4.01Å; I242-L246 HydrophobicContact CG2-CD1 3.64Å; I242-L246 HydrophobicContact CG2-CG 4.14Å; I242-L246 WeakPolarHBondContact O-CG 3.41Å; I242-L246 PolarHBondContact O-N 3.34Å; S244-L246 VanDerWaalsContact C-N 3.29Å; S244-L246 PolarHBondContact O-N 2.83Å; L246-T248 HydrophobicContact CB-CG2 4.43Å; L246-F257 HydrophobicContact CB-CE1 3.73Å; L246-F257 HydrophobicContact CB-CZ 4.08Å; L246-F257 HydrophobicContact CD1-CZ 4.08Å; L246-P266 HydrophobicContact CD2-CG 3.41Å; L246-P266 VanDerWaalsContact CD2-CG 3.41Å; L246-F300 HydrophobicContact CD1-CD2 4.18Å; L246-F300 HydrophobicContact CD1-CE2 4.25Å
247G91.9Very high91.4Very high52 Ų5274.6 Ų74.654%0.53636%0.364SS..THydrogen-bonded Turntrans69.238178.800000113.7N243 S244 L245N243-G247 PolarHBondContact O-N 1.96Å; S244-G247 PolarHBondContact O-N 2.82Å; L245-G247 PolarHBondContact O-N 3.49Å
248T93Very high91Very high21 Ų2172.1 Ų72.113%0.12936%0.355CS..PPolyproline II helixtrans-70.6149.8178.156.60000112.8N243 L246 K255 S256 F257N243-T248 HydrophobicContact CB-CG2 4.29Å; N243-T248 WeakPolarHBondContact CB-OG1 3.47Å; N243-T248 PolarHBondContact O-N 2.82Å; N243-T248 PolarHBondContact O-OG1 3.47Å; L246-T248 HydrophobicContact CB-CG2 4.43Å; T248-K255 HydrophobicContact CG2-CB 4.08Å; T248-S256 CarbonylContact C-O 3.5Å; T248-S256 WeakPolarHBondContact CA-O 3.43Å; T248-S256 WeakPolarHBondContact CB-O 3.46Å; T248-F257 HydrophobicContact CG2-CD1 3.89Å; T248-F257 HydrophobicContact CG2-CE1 3.25Å; T248-F257 HydrophobicContact CG2-CE2 4.31Å; T248-F257 HydrophobicContact CG2-CZ 3.51Å
249N90.1Very high90.6Very high99 Ų9972.2 Ų72.253%0.52936%0.359SS..EExtended strand (participates in β ladder)trans-102158.6167.8-61.8-51.5000110.5S256N249-S256 PolarHBondContact N-O 3.06Å; N249-S256 PolarHBondContact O-N 2.91Å; N249-S256 PolarHBondContact O-OG 2.86Å
250D87.8Confident90.2Very high119 Ų11975.3 Ų75.364%0.63639%0.392SS*.EExtended strand (participates in β ladder)trans-76.6131.4169.3-70.5-50.9000110.8K255D250-K255 WeakPolarHBondContact OD1-CE 3.31Å; D250-K255 IonicContact OD1-NZ 3.62Å; D250-K255 PolarHBondContact OD1-NZ 3.3Å; D250-K255 IonicContact OD2-NZ 2.72Å
251Y82Confident89.9Confident90 Ų9075.4 Ų75.435%0.35339%0.392SS..EExtended strand (participates in β ladder)trans-138.5103.3171.8-176.2-94.6000108.7E253 R254 S256 I295Y251-E253 PolarHBondContact O-N 3.09Å; Y251-R254 CarbonylContact C-O 3.53Å; Y251-R254 PolarHBondContact N-O 2.89Å; Y251-R254 PolarHBondContact O-N 3.4Å; Y251-R254 VanDerWaalsContact O-O 3.07Å; Y251-S256 WeakPolarHBondContact CB-OG 2.98Å; Y251-I295 HydrophobicContact CD1-CD1 4.3Å; Y251-I295 HydrophobicContact CD1-CG2 4.18Å; Y251-I295 HydrophobicContact CE1-CD1 3.42Å; Y251-I295 VanDerWaalsContact CE1-CD1 3.42Å; Y251-I295 HydrophobicContact CE1-CG1 4.26Å; Y251-I295 HydrophobicContact CE1-CG2 4.37Å; Y251-I295 HydrophobicContact CE2-CD1 4.28Å; Y251-I295 VanDerWaalsContact CZ-CD1 3.41Å; Y251-I295 VanDerWaalsContact OH-CD1 3.31Å; Y251-I295 WeakPolarHBondContact OH-CD1 2.78Å
252F82.2Confident89.5Confident177 Ų17770.2 Ų70.278%0.77637%0.373SS*.THydrogen-bonded Turntrans49-129.4-164.1-66.2-85.9000110.7R254F252-R254 PolarHBondContact O-N 2.82Å
253E81.1Confident89.2Confident200 Ų20077.2 Ų77.294%0.93541%0.411SS*.THydrogen-bonded Turntrans-86.410.3-179.6-60.4-177.717000112.7Y251Y251-E253 PolarHBondContact O-N 3.09Å
254R84.3Confident89Confident70 Ų7084.5 Ų84.526%0.26445%0.446SS..EExtended strand (participates in β ladder)trans-124.6158.6-174.1-53.8-166.481.2174.712.1112.5Y251 F252 M297 E301Y251-R254 CarbonylContact C-O 3.53Å; Y251-R254 PolarHBondContact N-O 2.89Å; Y251-R254 PolarHBondContact O-N 3.4Å; Y251-R254 VanDerWaalsContact O-O 3.07Å; F252-R254 PolarHBondContact O-N 2.82Å; R254-M297 HydrophobicContact CB-SD 4.45Å; R254-M297 PolarHBondContact NH1-SD 3.08Å; R254-E301 IonicContact NH2-OE2 2.73Å; R254-E301 PolarHBondContact NH2-OE2 3.41Å
255K92Very high89Confident69 Ų6981.1 Ų81.130%0.342%0.421SS..EExtended strand (participates in β ladder)trans-93.4132.4175.3-64.9-60.3-170.8177.70110.1N243 T248 D250 M297 S298N243-K255 HydrophobicContact CB-CG 4.2Å; T248-K255 HydrophobicContact CG2-CB 4.08Å; D250-K255 WeakPolarHBondContact OD1-CE 3.31Å; D250-K255 IonicContact OD1-NZ 3.62Å; D250-K255 PolarHBondContact OD1-NZ 3.3Å; D250-K255 IonicContact OD2-NZ 2.72Å; K255-M297 WeakPolarHBondContact O-CA 3.22Å; K255-S298 PolarHBondContact O-N 2.84Å
256S92.3Very high89Confident13 Ų1378.4 Ų78.49%0.09141%0.408CS..EExtended strand (participates in β ladder)trans-131.1164.9-174.867.60000112.8T248 N249 Y251 C296T248-S256 CarbonylContact C-O 3.5Å; T248-S256 WeakPolarHBondContact CA-O 3.43Å; T248-S256 WeakPolarHBondContact CB-O 3.46Å; N249-S256 PolarHBondContact N-O 3.06Å; N249-S256 PolarHBondContact O-N 2.91Å; N249-S256 PolarHBondContact O-OG 2.86Å; Y251-S256 WeakPolarHBondContact CB-OG 2.98Å; S256-C296 CarbonylContact C-O 3.43Å; S256-C296 VanDerWaalsContact CA-O 3.25Å; S256-C296 WeakPolarHBondContact CA-O 3.46Å
257F90.2Very high89.2Confident17 Ų1780 Ų808%0.07542%0.42CS..EExtended strand (participates in β ladder)trans-122.2156.2175.4-56.6-76.2000110.2L246 T248 C259 L265 I285 C296L246-F257 HydrophobicContact CB-CE1 3.73Å; L246-F257 HydrophobicContact CB-CZ 4.08Å; L246-F257 HydrophobicContact CD1-CZ 4.08Å; T248-F257 HydrophobicContact CG2-CD1 3.89Å; T248-F257 HydrophobicContact CG2-CE1 3.25Å; T248-F257 HydrophobicContact CG2-CE2 4.31Å; T248-F257 HydrophobicContact CG2-CZ 3.51Å; F257-C259 PolarHBondContact O-N 2.91Å; F257-L265 HydrophobicContact CD1-CD1 3.96Å; F257-L265 HydrophobicContact CD1-CD2 3.93Å; F257-L265 HydrophobicContact CD2-CD1 4.25Å; F257-L265 HydrophobicContact CE1-CD1 4.01Å; F257-L265 HydrophobicContact CE1-CD2 3.88Å; F257-L265 HydrophobicContact CE2-CD1 4.23Å; F257-L265 HydrophobicContact CG-CD1 4.07Å; F257-L265 HydrophobicContact CZ-CD1 4.14Å; F257-I285 HydrophobicContact CD2-CD1 3.23Å; F257-I285 HydrophobicContact CE2-CD1 3.28Å; F257-I285 HydrophobicContact CG-CD1 4.17Å; F257-I285 HydrophobicContact CZ-CD1 4.31Å; F257-C296 HydrophobicContact CB-CB 4.25Å; F257-C296 PolarHBondContact N-O 3.17Å
258D86.8Confident89.4Confident81 Ų8177.6 Ų77.643%0.43339%0.394SS..  trans-64.3113.7157.4177.9-1.4000108.8G260 R261D258-G260 PolarHBondContact O-N 2.77Å; D258-G260 VanDerWaalsContact O-N 3.09Å; D258-G260 PolarHBondContact OD1-N 3.47Å; D258-R261 HydrophobicContact CB-CB 4.4Å; D258-R261 HydrophobicContact CB-CG 4.14Å; D258-R261 PolarHBondContact O-N 2.76Å; D258-R261 IonicContact OD2-NE 2.9Å; D258-R261 PolarHBondContact OD2-NE 3.24Å
259C87.8Confident89.7Confident41 Ų4179.3 Ų79.328%0.27740%0.401SS..G310 helixtrans-57.5-23.5179.2-72.70000113.4F257 R261 I262 K294 C296F257-C259 PolarHBondContact O-N 2.91Å; C259-R261 PolarHBondContact O-N 3.3Å; C259-I262 WeakPolarHBondContact O-CD1 3.48Å; C259-I262 WeakPolarHBondContact O-CG1 3.28Å; C259-K294 PolarHBondContact SG-O 2.65Å; C259-K294 VanDerWaalsContact SG-O 3.33Å; C259-C296 WeakPolarHBondContact CA-SG 3.46Å; C259-C296 HydrophobicContact CB-CB 4.12Å; C259-C296 WeakPolarHBondContact CB-SG 3.5Å; C259-C296 WeakPolarHBondContact SG-CB 3.31Å; C259-C296 PolarHBondContact SG-N 2.58Å; C259-C296 CovalentContact SG-SG 2.04Å; C259-C296 PolarHBondContact SG-SG 2.77Å
260G87.7Confident90Very high67 Ų6774.6 Ų74.669%0.69138%0.376SS*.G310 helixtrans-73.4-10.6175.300000114.4D258D258-G260 PolarHBondContact O-N 2.77Å; D258-G260 VanDerWaalsContact O-N 3.09Å; D258-G260 PolarHBondContact OD1-N 3.47Å
261R87.8Confident90.5Very high159 Ų15970.4 Ų70.460%0.635%0.353SS*.G310 helixtrans-114.17.3-174.6-61-176.6-174.1-155-6.6114.2D258 C259 D263 M264D258-R261 HydrophobicContact CB-CB 4.4Å; D258-R261 HydrophobicContact CB-CG 4.14Å; D258-R261 PolarHBondContact O-N 2.76Å; D258-R261 IonicContact OD2-NE 2.9Å; D258-R261 PolarHBondContact OD2-NE 3.24Å; C259-R261 PolarHBondContact O-N 3.3Å; R261-D263 VanDerWaalsContact C-N 3.25Å; R261-D263 PolarHBondContact O-N 2.79Å; R261-M264 WeakPolarHBondContact O-CB 3.25Å; R261-M264 PolarHBondContact O-N 2.92Å
262I89.2Confident91.2Very high15 Ų1566.2 Ų66.28%0.07734%0.337CS..G310 helixtrans-53.4-45.4-178.2-63.7167.1000111.1C259 M264 L265 P281 I285 C296C259-I262 WeakPolarHBondContact O-CD1 3.48Å; C259-I262 WeakPolarHBondContact O-CG1 3.28Å; I262-M264 PolarHBondContact O-N 3.25Å; I262-L265 WeakPolarHBondContact O-CB 3.34Å; I262-L265 WeakPolarHBondContact O-CG 3.39Å; I262-L265 PolarHBondContact O-N 3.4Å; I262-P281 HydrophobicContact CG2-CB 3.78Å; I262-P281 WeakPolarHBondContact O-CB 3.22Å; I262-I285 HydrophobicContact CB-CG1 4.44Å; I262-I285 HydrophobicContact CD1-CB 4.48Å; I262-I285 HydrophobicContact CD1-CG1 4.35Å; I262-I285 HydrophobicContact CD1-CG2 3.97Å; I262-I285 HydrophobicContact CG1-CG1 4.07Å; I262-I285 HydrophobicContact CG1-CG2 4.42Å; I262-I285 HydrophobicContact CG2-CB 4.49Å; I262-I285 HydrophobicContact CG2-CG1 3.67Å; I262-C296 HydrophobicContact CD1-CB 4.37Å; I262-C296 VanDerWaalsContact CD1-SG 3.55Å
263D88.6Confident91.6Very high148 Ų14864.5 Ų64.579%0.79133%0.331SS*.G310 helixtrans-65.7-13.5-175.6-64.4-33.9000113.5R261R261-D263 VanDerWaalsContact C-N 3.25Å; R261-D263 PolarHBondContact O-N 2.79Å
264M91.4Very high92Very high156 Ų15663.6 Ų63.677%0.76832%0.319SS*.G310 helixtrans-90.9-11.2175.6-57.5-178.9-178.100113.1R261 I262R261-M264 WeakPolarHBondContact O-CB 3.25Å; R261-M264 PolarHBondContact O-N 2.92Å; I262-M264 PolarHBondContact O-N 3.25Å
265L94.5Very high92.5Very high26 Ų2664.3 Ų64.314%0.13632%0.324CS..SBendtrans-69.5153.8-179.3-61.1172.3000110.6F257 I262 P281 Y284 I285F257-L265 HydrophobicContact CD1-CD1 3.96Å; F257-L265 HydrophobicContact CD1-CD2 3.93Å; F257-L265 HydrophobicContact CD2-CD1 4.25Å; F257-L265 HydrophobicContact CE1-CD1 4.01Å; F257-L265 HydrophobicContact CE1-CD2 3.88Å; F257-L265 HydrophobicContact CE2-CD1 4.23Å; F257-L265 HydrophobicContact CG-CD1 4.07Å; F257-L265 HydrophobicContact CZ-CD1 4.14Å; I262-L265 WeakPolarHBondContact O-CB 3.34Å; I262-L265 WeakPolarHBondContact O-CG 3.39Å; I262-L265 PolarHBondContact O-N 3.4Å; L265-P281 HydrophobicContact CB-CB 4.06Å; L265-P281 HydrophobicContact CB-CG 3.92Å; L265-P281 WeakPolarHBondContact O-CG 3.41Å; L265-Y284 WeakPolarHBondContact CB-OH 3.22Å; L265-Y284 HydrophobicContact CD1-CE2 4.15Å; L265-I285 HydrophobicContact CD1-CD1 3.72Å; L265-I285 HydrophobicContact CD1-CG1 4.33Å
266P95.9Very high92.7Very high18 Ų1867.5 Ų67.512%0.11734%0.338CS..PPolyproline II helixtrans-75.7161.6179.332.3-37.6000112.4I212 N213 L246 Y284I212-P266 HydrophobicContact CG2-CB 3.97Å; I212-P266 HydrophobicContact CG2-CG 3.46Å; I212-P266 VanDerWaalsContact CG2-CG 3.46Å; N213-P266 HydrophobicContact CB-CB 4.44Å; N213-P266 WeakPolarHBondContact ND2-CB 3.17Å; N213-P266 WeakPolarHBondContact OD1-CB 3.32Å; L246-P266 HydrophobicContact CD2-CG 3.41Å; L246-P266 VanDerWaalsContact CD2-CG 3.41Å; P266-Y284 WeakPolarHBondContact O-CE1 3.41Å; P266-Y284 PolarHBondContact O-OH 3.33Å
267S96.5Very high92.9Very high43 Ų4367.3 Ų67.330%0.30134%0.335SS..PPolyproline II helixtrans-76.2148.2166.7-62.20000110.8L279S267-L279 CarbonylContact C-O 3.58Å; S267-L279 VanDerWaalsContact CA-O 3.31Å; S267-L279 WeakPolarHBondContact CA-O 3.45Å
268I97.2Very high93.2Very high0 Ų069.4 Ų69.40%035%0.346CS..EExtended strand (participates in β ladder)trans-104.6127.7175.3-54.1162.4000107.7L210 I212 F270 I278 L279 Y284 P299 F300L210-I268 HydrophobicContact CD1-CG2 3.62Å; I212-I268 HydrophobicContact CD1-CG1 4.14Å; I212-I268 HydrophobicContact CD1-CG2 4.33Å; I212-I268 HydrophobicContact CG1-CB 4.39Å; I212-I268 HydrophobicContact CG1-CG1 4.17Å; I212-I268 HydrophobicContact CG1-CG2 4.05Å; I268-F270 HydrophobicContact CB-CE2 4.12Å; I268-F270 HydrophobicContact CG2-CD2 4.19Å; I268-F270 HydrophobicContact CG2-CE2 3.38Å; I268-F270 HydrophobicContact CG2-CZ 3.57Å; I268-I278 CarbonylContact O-C 3.6Å; I268-I278 WeakPolarHBondContact O-CA 3.36Å; I268-L279 HydrophobicContact CB-CB 4.31Å; I268-L279 PolarHBondContact N-O 3.18Å; I268-L279 PolarHBondContact O-N 2.87Å; I268-Y284 HydrophobicContact CD1-CD1 3.4Å; I268-Y284 HydrophobicContact CD1-CD2 4.15Å; I268-Y284 HydrophobicContact CD1-CE1 3.57Å; I268-Y284 HydrophobicContact CD1-CE2 4.34Å; I268-Y284 HydrophobicContact CD1-CG 3.68Å; I268-Y284 HydrophobicContact CG1-CD1 4.03Å; I268-Y284 HydrophobicContact CG1-CE1 3.79Å; I268-P299 HydrophobicContact CD1-CG 4.37Å; I268-F300 HydrophobicContact CD1-CE2 3.45Å; I268-F300 VanDerWaalsContact CD1-CE2 3.45Å; I268-F300 HydrophobicContact CD1-CZ 3.75Å; I268-F300 HydrophobicContact CG1-CE2 4.24Å; I268-F300 HydrophobicContact CG1-CZ 4.37Å; I268-F300 HydrophobicContact CG2-CZ 3.97Å
269E97.7Very high93.7Very high57 Ų5765.6 Ų65.627%0.26633%0.326SS..EExtended strand (participates in β ladder)trans-112.4118.4-177.1-53.6-176.416400110.8L210 R211 I278L210-E269 WeakPolarHBondContact CA-O 3.34Å; R211-E269 HydrophobicContact CB-CB 4.3Å; R211-E269 PolarHBondContact N-O 3.3Å; R211-E269 PolarHBondContact O-N 2.78Å; E269-I278 HydrophobicContact CG-CG1 4.3Å
270F98.1Very high94Very high0 Ų068.9 Ų68.90%034%0.335CS..EExtended strand (participates in β ladder)trans-100.5114.7170.8-57.3-98.1000108M207 L210 I232 I268 F272 K276 Y277 L279 L313 F317M207-F270 HydrophobicContact CE-CD1 4.41Å; M207-F270 HydrophobicContact SD-CB 4.07Å; M207-F270 HydrophobicContact SD-CD1 3.62Å; M207-F270 HydrophobicContact SD-CG 4.33Å; L210-F270 HydrophobicContact CD1-CD1 3.8Å; L210-F270 HydrophobicContact CD1-CE1 3.54Å; L210-F270 HydrophobicContact CD1-CE2 4.37Å; L210-F270 HydrophobicContact CD1-CG 4.29Å; L210-F270 HydrophobicContact CD1-CZ 3.83Å; I232-F270 HydrophobicContact CD1-CE1 4.28Å; I232-F270 HydrophobicContact CD1-CE2 4.45Å; I232-F270 HydrophobicContact CD1-CZ 3.6Å; I268-F270 HydrophobicContact CB-CE2 4.12Å; I268-F270 HydrophobicContact CG2-CD2 4.19Å; I268-F270 HydrophobicContact CG2-CE2 3.38Å; I268-F270 HydrophobicContact CG2-CZ 3.57Å; F270-F272 HydrophobicContact CB-CE2 3.95Å; F270-F272 HydrophobicContact CB-CZ 4.45Å; F270-K276 WeakPolarHBondContact O-CA 3.32Å; F270-Y277 WeakPolarHBondContact CD2-O 3.25Å; F270-Y277 PolarHBondContact N-O 3.23Å; F270-Y277 PolarHBondContact O-N 3.13Å; F270-L279 HydrophobicContact CD2-CG 4.48Å; F270-L279 HydrophobicContact CE2-CD1 3.64Å; F270-L279 HydrophobicContact CE2-CG 3.88Å; F270-L279 HydrophobicContact CZ-CD1 4.19Å; F270-L313 HydrophobicContact CD1-CD1 4.2Å; F270-L313 HydrophobicContact CD1-CD2 3.96Å; F270-L313 HydrophobicContact CE1-CD2 3.59Å; F270-F317 HydrophobicContact CB-CE2 4.01Å; F270-F317 HydrophobicContact CD1-CD2 4.27Å; F270-F317 HydrophobicContact CD1-CE2 4.27Å; F270-F317 AromaticContact CD2-CD2 3.92Å; F270-F317 HydrophobicContact CD2-CD2 3.92Å; F270-F317 AromaticContact CD2-CE2 3.89Å; F270-F317 HydrophobicContact CD2-CE2 3.89Å; F270-F317 HydrophobicContact CE1-CD2 4.43Å; F270-F317 HydrophobicContact CE2-CD2 4.08Å; F270-F317 HydrophobicContact CG-CD2 4.06Å; F270-F317 AromaticContact CG-CE2 3.78Å; F270-F317 HydrophobicContact CG-CE2 3.78Å; F270-F317 HydrophobicContact CZ-CD2 4.36Å
271I97.6Very high94.1Very high32 Ų3266.4 Ų66.416%0.16431%0.307CS..EExtended strand (participates in β ladder)trans-105.4116-175-57.1173.4000108.1L208 S209 R211L208-I271 WeakPolarHBondContact CA-O 3.35Å; L208-I271 HydrophobicContact CB-CG2 4.34Å; L208-I271 WeakPolarHBondContact CB-O 3.07Å; L208-I271 PolarHBondContact N-O 3.04Å; S209-I271 PolarHBondContact N-O 2.97Å; S209-I271 PolarHBondContact O-N 3.32Å; R211-I271 HydrophobicContact CG-CD1 4.29Å
272F96.6Very high94.1Very high1 Ų166.5 Ų66.50%0.00431%0.308CS..  trans-103.2-138.4172.6-61.4-82.9000109.5I195 I205 R206 M207 L208 F270 K275 Y277 L313 F317 L334I195-F272 HydrophobicContact CD1-CB 3.54Å; I195-F272 HydrophobicContact CD1-CD1 3.66Å; I195-F272 HydrophobicContact CD1-CD2 4.11Å; I195-F272 HydrophobicContact CD1-CE1 4.37Å; I195-F272 HydrophobicContact CD1-CG 3.5Å; I195-F272 VanDerWaalsContact CD1-CG 3.5Å; I195-F272 HydrophobicContact CG1-CB 4.38Å; I205-F272 HydrophobicContact CD1-CD1 3.92Å; I205-F272 HydrophobicContact CD1-CE1 3.4Å; I205-F272 VanDerWaalsContact CD1-CE1 3.4Å; I205-F272 HydrophobicContact CD1-CZ 3.98Å; I205-F272 HydrophobicContact CG1-CE1 3.97Å; R206-F272 WeakPolarHBondContact O-CD1 3.19Å; M207-F272 HydrophobicContact CB-CD1 4.11Å; M207-F272 HydrophobicContact CB-CE1 3.79Å; M207-F272 HydrophobicContact CG-CD1 4.35Å; M207-F272 HydrophobicContact CG-CE1 4.05Å; M207-F272 HydrophobicContact CG-CZ 4.44Å; M207-F272 HydrophobicContact SD-CE1 4.41Å; M207-F272 HydrophobicContact SD-CZ 4.3Å; L208-F272 WeakPolarHBondContact CD1-O 3.48Å; L208-F272 VanDerWaalsContact CG-O 3.26Å; L208-F272 WeakPolarHBondContact CG-O 3.28Å; F270-F272 HydrophobicContact CB-CE2 3.95Å; F270-F272 HydrophobicContact CB-CZ 4.45Å; F272-K275 PolarHBondContact N-O 2.95Å; F272-Y277 AromaticContact CD2-CD2 3.5Å; F272-Y277 HydrophobicContact CD2-CD2 3.5Å; F272-Y277 AromaticContact CD2-CE2 3.85Å; F272-Y277 HydrophobicContact CD2-CE2 3.85Å; F272-Y277 HydrophobicContact CD2-CG 4.46Å; F272-Y277 AromaticContact CE2-CD2 3.89Å; F272-Y277 HydrophobicContact CE2-CD2 3.89Å; F272-Y277 HydrophobicContact CE2-CE2 4.47Å; F272-Y277 HydrophobicContact CE2-CG 4.44Å; F272-L313 HydrophobicContact CZ-CD1 3.91Å; F272-F317 HydrophobicContact CE2-CE2 4.38Å; F272-F317 AromaticContact CE2-CZ 3.98Å; F272-F317 HydrophobicContact CE2-CZ 3.98Å; F272-F317 HydrophobicContact CZ-CZ 4.25Å; F272-L334 HydrophobicContact CD2-CD1 4.3Å; F272-L334 HydrophobicContact CE2-CD1 3.97Å; F272-L334 HydrophobicContact CZ-CD1 4.36Å
273H90.4Very high94.1Very high141 Ų14166.3 Ų66.365%0.65331%0.306SS*.SBendtrans-78.5-53-169.3-173.652.6000112.4E193E193-H273 WeakPolarHBondContact OE1-CA 3.39Å; E193-H273 WeakPolarHBondContact OE1-CB 3.4Å; E193-H273 PolarHBondContact OE1-N 3.22Å
274R90.8Very high94Very high182 Ų18259.2 Ų59.269%0.68727%0.269SS*.SBendtrans-115.9-28.8-172.2-71.1-177.2-81.3-173.2-8.4113.3E193E193-R274 PolarHBondContact OE1-N 3.46Å
275K94.2Very high93.6Very high85 Ų8552.3 Ų52.337%0.3724%0.235SC..  trans-121.1160.1-177.4-56.3-176.7175.6-178.40112.4D191 E193 F272 Y277D191-K275 PolarHBondContact O-NZ 3.39Å; E193-K275 HydrophobicContact CB-CD 4.37Å; E193-K275 WeakPolarHBondContact OE2-CB 3.09Å; E193-K275 PolarHBondContact OE2-N 3.44Å; F272-K275 PolarHBondContact N-O 2.95Å; K275-Y277 HydrophobicContact CB-CD2 4.49Å; K275-Y277 HydrophobicContact CB-CE2 3.9Å
276K95.8Very high92.7Very high136 Ų13651.1 Ų51.159%0.59123%0.229SC*.EExtended strand (participates in β ladder)trans-103130.5167.5-26.3178.5-171.8179.20107.1F270 I278F270-K276 WeakPolarHBondContact O-CA 3.32Å; K276-I278 HydrophobicContact CB-CG1 4.35Å
277Y96.9Very high91.7Very high8 Ų856.6 Ų56.63%0.03125%0.25CS..EExtended strand (participates in β ladder)trans-105.2115.9175.1-70.4-93.3000107.6E193 F270 F272 K275 F321 L334E193-Y277 WeakPolarHBondContact CB-OH 3.47Å; E193-Y277 WeakPolarHBondContact OE2-CE2 3.28Å; E193-Y277 PolarHBondContact OE2-OH 3.34Å; F270-Y277 WeakPolarHBondContact CD2-O 3.25Å; F270-Y277 PolarHBondContact N-O 3.23Å; F270-Y277 PolarHBondContact O-N 3.13Å; F272-Y277 AromaticContact CD2-CD2 3.5Å; F272-Y277 HydrophobicContact CD2-CD2 3.5Å; F272-Y277 AromaticContact CD2-CE2 3.85Å; F272-Y277 HydrophobicContact CD2-CE2 3.85Å; F272-Y277 HydrophobicContact CD2-CG 4.46Å; F272-Y277 AromaticContact CE2-CD2 3.89Å; F272-Y277 HydrophobicContact CE2-CD2 3.89Å; F272-Y277 HydrophobicContact CE2-CE2 4.47Å; F272-Y277 HydrophobicContact CE2-CG 4.44Å; K275-Y277 HydrophobicContact CB-CD2 4.49Å; K275-Y277 HydrophobicContact CB-CE2 3.9Å; Y277-F321 HydrophobicContact CD1-CB 4.45Å; Y277-F321 AromaticContact CD1-CD1 3.46Å; Y277-F321 HydrophobicContact CD1-CD1 3.46Å; Y277-F321 VanDerWaalsContact CD1-CD1 3.46Å; Y277-F321 HydrophobicContact CD1-CD2 4.2Å; Y277-F321 AromaticContact CD1-CE1 3.6Å; Y277-F321 HydrophobicContact CD1-CE1 3.6Å; Y277-F321 HydrophobicContact CD1-CE2 4.35Å; Y277-F321 AromaticContact CD1-CG 3.76Å; Y277-F321 HydrophobicContact CD1-CG 3.76Å; Y277-F321 HydrophobicContact CD1-CZ 4.08Å; Y277-F321 HydrophobicContact CE1-CD1 4.19Å; Y277-F321 HydrophobicContact CG-CD1 4.44Å; Y277-F321 HydrophobicContact CG-CE1 4.28Å; Y277-F321 HydrophobicContact CG-CZ 4.34Å; Y277-L334 HydrophobicContact CD1-CB 4.42Å; Y277-L334 HydrophobicContact CE1-CB 3.54Å; Y277-L334 HydrophobicContact CE1-CD1 4.36Å; Y277-L334 HydrophobicContact CE2-CB 4.36Å; Y277-L334 HydrophobicContact CE2-CD1 4.18Å; Y277-L334 WeakPolarHBondContact OH-CB 3.4Å; Y277-L334 PolarHBondContact OH-O 2.87Å
278I96.6Very high90.3Very high62 Ų6256.5 Ų56.532%0.31825%0.247SC..EExtended strand (participates in β ladder)trans-111.8118.3-167.6-54.6179.9000110.4I268 E269 K276I268-I278 CarbonylContact O-C 3.6Å; I268-I278 WeakPolarHBondContact O-CA 3.36Å; E269-I278 HydrophobicContact CG-CG1 4.3Å; K276-I278 HydrophobicContact CB-CG1 4.35Å
279L95.8Very high88.8Confident0 Ų060.6 Ų60.60%027%0.268CS..EExtended strand (participates in β ladder)trans-90.6112.8166.6-58.2-180000108.8I232 S267 I268 F270 H283 Y284 R320 F321I232-L279 HydrophobicContact CD1-CD1 4.02Å; S267-L279 CarbonylContact C-O 3.58Å; S267-L279 VanDerWaalsContact CA-O 3.31Å; S267-L279 WeakPolarHBondContact CA-O 3.45Å; I268-L279 HydrophobicContact CB-CB 4.31Å; I268-L279 PolarHBondContact N-O 3.18Å; I268-L279 PolarHBondContact O-N 2.87Å; F270-L279 HydrophobicContact CD2-CG 4.48Å; F270-L279 HydrophobicContact CE2-CD1 3.64Å; F270-L279 HydrophobicContact CE2-CG 3.88Å; F270-L279 HydrophobicContact CZ-CD1 4.19Å; L279-H283 HydrophobicContact CB-CB 4.44Å; L279-H283 HydrophobicContact CD2-CB 4.16Å; L279-Y284 HydrophobicContact CB-CD1 3.79Å; L279-R320 HydrophobicContact CD2-CB 3.54Å; L279-R320 HydrophobicContact CD2-CG 3.81Å; L279-F321 HydrophobicContact CD2-CD2 4.44Å; L279-F321 HydrophobicContact CD2-CE2 3.56Å; L279-F321 HydrophobicContact CD2-CZ 4Å; L279-F321 HydrophobicContact CG-CE2 4.22Å
280K94.2Very high87Confident110 Ų11060.1 Ų60.148%0.47827%0.27SS..  trans-75.1159.8168.2-63.3-176.9179.8-179.50109R282 H283 Y284K280-R282 VanDerWaalsContact C-N 3.29Å; K280-R282 PolarHBondContact O-N 2.83Å; K280-R282 VanDerWaalsContact O-N 3.13Å; K280-H283 PolarHBondContact N-ND1 3.22Å; K280-H283 VanDerWaalsContact N-ND1 3.19Å; K280-H283 WeakPolarHBondContact O-CB 3.47Å; K280-H283 PolarHBondContact O-N 3.34Å; K280-Y284 WeakPolarHBondContact O-CD1 3.47Å
281P91.4Very high85.2Confident15 Ų1567.5 Ų67.510%0.09731%0.309CS..Hα-helixtrans-45.9-48.4-178.9-3337.8000115.4I262 L265 H283 Y284 I285I262-P281 HydrophobicContact CG2-CB 3.78Å; I262-P281 WeakPolarHBondContact O-CB 3.22Å; L265-P281 HydrophobicContact CB-CB 4.06Å; L265-P281 HydrophobicContact CB-CG 3.92Å; L265-P281 WeakPolarHBondContact O-CG 3.41Å; P281-H283 PolarHBondContact O-N 2.9Å; P281-H283 VanDerWaalsContact O-N 3.11Å; P281-Y284 HydrophobicContact CB-CE1 4.41Å; P281-Y284 HydrophobicContact CG-CE1 4.41Å; P281-Y284 PolarHBondContact O-N 3.06Å; P281-I285 WeakPolarHBondContact O-CG1 3.44Å; P281-I285 PolarHBondContact O-N 2.79Å
282R87.9Confident83.5Confident161 Ų16175.5 Ų75.561%0.60834%0.343SS*.Hα-helixtrans-60.4-23.3178.773.8-172.9-171.3172.611.1114.9K280K280-R282 VanDerWaalsContact C-N 3.29Å; K280-R282 PolarHBondContact O-N 2.83Å; K280-R282 VanDerWaalsContact O-N 3.13Å
283H89.3Confident82Confident11 Ų1180.3 Ų80.35%0.05137%0.368CS..Hα-helixtrans-82.8-32.4-177.2-53.9156.7000112.1L279 K280 P281 T340L279-H283 HydrophobicContact CB-CB 4.44Å; L279-H283 HydrophobicContact CD2-CB 4.16Å; K280-H283 PolarHBondContact N-ND1 3.22Å; K280-H283 VanDerWaalsContact N-ND1 3.19Å; K280-H283 WeakPolarHBondContact O-CB 3.47Å; K280-H283 PolarHBondContact O-N 3.34Å; P281-H283 PolarHBondContact O-N 2.9Å; P281-H283 VanDerWaalsContact O-N 3.11Å; H283-T340 PolarHBondContact CD2-OXT 2.61Å
284Y86.1Confident81.3Confident0 Ų080.8 Ų80.80%037%0.368CS..Hα-helixtrans-105.8-10.8-170.666.2-114.9000114.1L265 P266 I268 L279 K280 P281 V286 P299L265-Y284 WeakPolarHBondContact CB-OH 3.22Å; L265-Y284 HydrophobicContact CD1-CE2 4.15Å; P266-Y284 WeakPolarHBondContact O-CE1 3.41Å; P266-Y284 PolarHBondContact O-OH 3.33Å; I268-Y284 HydrophobicContact CD1-CD1 3.4Å; I268-Y284 HydrophobicContact CD1-CD2 4.15Å; I268-Y284 HydrophobicContact CD1-CE1 3.57Å; I268-Y284 HydrophobicContact CD1-CE2 4.34Å; I268-Y284 HydrophobicContact CD1-CG 3.68Å; I268-Y284 HydrophobicContact CG1-CD1 4.03Å; I268-Y284 HydrophobicContact CG1-CE1 3.79Å; L279-Y284 HydrophobicContact CB-CD1 3.79Å; K280-Y284 WeakPolarHBondContact O-CD1 3.47Å; P281-Y284 HydrophobicContact CB-CE1 4.41Å; P281-Y284 HydrophobicContact CG-CE1 4.41Å; P281-Y284 PolarHBondContact O-N 3.06Å; Y284-V286 PolarHBondContact O-N 2.83Å; Y284-P299 HydrophobicContact CD2-CG 3.76Å; Y284-P299 HydrophobicContact CG-CG 4.09Å; Y284-P299 WeakPolarHBondContact O-CB 3.2Å
285I83.2Confident80.9Confident11 Ų1172.7 Ų72.76%0.05634%0.338CS..PPolyproline II helixtrans-72.4124.4173.5-65.2-63.4000109.7F257 I262 L265 P281 K287 C296F257-I285 HydrophobicContact CD2-CD1 3.23Å; F257-I285 HydrophobicContact CE2-CD1 3.28Å; F257-I285 HydrophobicContact CG-CD1 4.17Å; F257-I285 HydrophobicContact CZ-CD1 4.31Å; I262-I285 HydrophobicContact CB-CG1 4.44Å; I262-I285 HydrophobicContact CD1-CB 4.48Å; I262-I285 HydrophobicContact CD1-CG1 4.35Å; I262-I285 HydrophobicContact CD1-CG2 3.97Å; I262-I285 HydrophobicContact CG1-CG1 4.07Å; I262-I285 HydrophobicContact CG1-CG2 4.42Å; I262-I285 HydrophobicContact CG2-CB 4.49Å; I262-I285 HydrophobicContact CG2-CG1 3.67Å; L265-I285 HydrophobicContact CD1-CD1 3.72Å; L265-I285 HydrophobicContact CD1-CG1 4.33Å; P281-I285 WeakPolarHBondContact O-CG1 3.44Å; P281-I285 PolarHBondContact O-N 2.79Å; I285-K287 HydrophobicContact CG2-CG 4.08Å; I285-C296 HydrophobicContact CG2-CB 3.61Å
286V74.8Confident80.6Confident1 Ų168.7 Ų68.71%0.00632%0.321CS..EExtended strand (participates in β ladder)trans-91.1116.8170-166.60000107.8F21 L231 Y284 M297F21-V286 HydrophobicContact CD2-CG1 4.01Å; F21-V286 HydrophobicContact CE1-CG1 4.29Å; F21-V286 HydrophobicContact CE2-CB 4.48Å; F21-V286 HydrophobicContact CE2-CG1 3.26Å; F21-V286 HydrophobicContact CZ-CB 4.28Å; F21-V286 HydrophobicContact CZ-CG1 3.41Å; F21-V286 VanDerWaalsContact CZ-CG1 3.41Å; L231-V286 HydrophobicContact CD2-CG2 3.93Å; Y284-V286 PolarHBondContact O-N 2.83Å; V286-M297 HydrophobicContact CB-CB 4.37Å; V286-M297 HydrophobicContact CG1-CE 4.35Å; V286-M297 PolarHBondContact N-O 3.22Å; V286-M297 PolarHBondContact O-N 3.24Å
287K74.2Confident80.3Confident133 Ų13362.5 Ų62.558%0.57829%0.294SS*.EExtended strand (participates in β ladder)trans-94.8119.6177.1-65.2-179.6-177.5174.40108I285 I295I285-K287 HydrophobicContact CG2-CG 4.08Å; K287-I295 WeakPolarHBondContact CA-O 3.43Å
288D66.8Low80.2Confident41 Ų4162.3 Ų62.322%0.21929%0.294CS..EExtended strand (participates in β ladder)trans-111143.5170.3-170.410.3000107.9P290 I295 M297D288-P290 WeakPolarHBondContact OD1-CD 3.19Å; D288-I295 PolarHBondContact N-O 2.96Å; D288-I295 PolarHBondContact O-N 2.58Å; D288-M297 HydrophobicContact CB-CE 3.5Å; D288-M297 VanDerWaalsContact CB-CE 3.5Å
289D67.2Low80Confident85 Ų8559.4 Ų59.446%0.45528%0.279SS..  trans-12856.6-178.2-157.7-10.1000111.1L291 F292 I293D289-L291 PolarHBondContact O-N 3.03Å; D289-L291 VanDerWaalsContact O-N 3.16Å; D289-F292 WeakPolarHBondContact OD1-CA 3.47Å; D289-F292 PolarHBondContact OD1-N 2.89Å; D289-I293 PolarHBondContact OD1-N 3.01Å
290P60.1Low80Confident48 Ų4859.7 Ų59.731%0.31228%0.28SS..G310 helixtrans-68.7119.1174.429.4-31000107.7D288 F292 I293 I295D288-P290 WeakPolarHBondContact OD1-CD 3.19Å; P290-F292 PolarHBondContact O-N 3.24Å; P290-I293 WeakPolarHBondContact CD-O 3.38Å; P290-I293 PolarHBondContact O-N 2.95Å; P290-I295 HydrophobicContact CG-CD1 3.49Å; P290-I295 VanDerWaalsContact CG-CD1 3.49Å
291L60.4Low80Confident154 Ų15458 Ų5881%0.80627%0.274SS*.G310 helixtrans5843170.1-63.2152.3000113.6D289 I293D289-L291 PolarHBondContact O-N 3.03Å; D289-L291 VanDerWaalsContact O-N 3.16Å; L291-I293 VanDerWaalsContact C-N 3.26Å; L291-I293 PolarHBondContact O-N 3Å
292F61.7Low80.1Confident200 Ų20059.4 Ų59.488%0.87728%0.283SS*.G310 helixtrans70.113.3176-49.1-84.1000115.3D289 P290D289-F292 WeakPolarHBondContact OD1-CA 3.47Å; D289-F292 PolarHBondContact OD1-N 2.89Å; P290-F292 PolarHBondContact O-N 3.24Å
293I64.9Low80.3Confident103 Ų10352.5 Ų52.553%0.52826%0.258SS..  trans-105.6109.8172.7-55.8177.4000108.2D289 P290 L291 I295D289-I293 PolarHBondContact OD1-N 3.01Å; P290-I293 WeakPolarHBondContact CD-O 3.38Å; P290-I293 PolarHBondContact O-N 2.95Å; L291-I293 VanDerWaalsContact C-N 3.26Å; L291-I293 PolarHBondContact O-N 3Å; I293-I295 HydrophobicContact CG2-CG1 4.16Å; I293-I295 PolarHBondContact O-N 3.09Å
294K75.6Confident80.3Confident150 Ų15060.5 Ų60.565%0.65229%0.289SS*.  trans-69.6113.8172.1-73.1-179.1-179.1173.20110.1C259C259-K294 PolarHBondContact SG-O 2.65Å; C259-K294 VanDerWaalsContact SG-O 3.33Å
295I81.2Confident80.3Confident12 Ų1264.4 Ų64.46%0.06232%0.316CS..EExtended strand (participates in β ladder)trans-108.1131.9173.7-59.9153.9000108Y251 K287 D288 P290 I293 M297Y251-I295 HydrophobicContact CD1-CD1 4.3Å; Y251-I295 HydrophobicContact CD1-CG2 4.18Å; Y251-I295 HydrophobicContact CE1-CD1 3.42Å; Y251-I295 VanDerWaalsContact CE1-CD1 3.42Å; Y251-I295 HydrophobicContact CE1-CG1 4.26Å; Y251-I295 HydrophobicContact CE1-CG2 4.37Å; Y251-I295 HydrophobicContact CE2-CD1 4.28Å; Y251-I295 VanDerWaalsContact CZ-CD1 3.41Å; Y251-I295 VanDerWaalsContact OH-CD1 3.31Å; Y251-I295 WeakPolarHBondContact OH-CD1 2.78Å; K287-I295 WeakPolarHBondContact CA-O 3.43Å; D288-I295 PolarHBondContact N-O 2.96Å; D288-I295 PolarHBondContact O-N 2.58Å; P290-I295 HydrophobicContact CG-CD1 3.49Å; P290-I295 VanDerWaalsContact CG-CD1 3.49Å; I293-I295 HydrophobicContact CG2-CG1 4.16Å; I293-I295 PolarHBondContact O-N 3.09Å; I295-M297 HydrophobicContact CG2-CG 3.95Å
296C89Confident80.4Confident1 Ų165.7 Ų65.71%0.00732%0.323CS..EExtended strand (participates in β ladder)trans-108.1107.3178.4-68.60000108.4S256 F257 C259 I262 I285S256-C296 CarbonylContact C-O 3.43Å; S256-C296 VanDerWaalsContact CA-O 3.25Å; S256-C296 WeakPolarHBondContact CA-O 3.46Å; F257-C296 HydrophobicContact CB-CB 4.25Å; F257-C296 PolarHBondContact N-O 3.17Å; C259-C296 WeakPolarHBondContact CA-SG 3.46Å; C259-C296 HydrophobicContact CB-CB 4.12Å; C259-C296 WeakPolarHBondContact CB-SG 3.5Å; C259-C296 WeakPolarHBondContact SG-CB 3.31Å; C259-C296 PolarHBondContact SG-N 2.58Å; C259-C296 CovalentContact SG-SG 2.04Å; C259-C296 PolarHBondContact SG-SG 2.77Å; I262-C296 HydrophobicContact CD1-CB 4.37Å; I262-C296 VanDerWaalsContact CD1-SG 3.55Å; I285-C296 HydrophobicContact CG2-CB 3.61Å
297M89.8Confident81Confident6 Ų671.8 Ų71.83%0.0336%0.355CS..EExtended strand (participates in β ladder)trans-93.8151.2-175.1-68.9-176.6-77.800112.4F21 R254 K255 V286 D288 I295F21-M297 HydrophobicContact CE2-CE 3.69Å; F21-M297 HydrophobicContact CZ-CE 3.5Å; F21-M297 VanDerWaalsContact CZ-CE 3.5Å; R254-M297 HydrophobicContact CB-SD 4.45Å; R254-M297 PolarHBondContact NH1-SD 3.08Å; K255-M297 WeakPolarHBondContact O-CA 3.22Å; V286-M297 HydrophobicContact CB-CB 4.37Å; V286-M297 HydrophobicContact CG1-CE 4.35Å; V286-M297 PolarHBondContact N-O 3.22Å; V286-M297 PolarHBondContact O-N 3.24Å; D288-M297 HydrophobicContact CB-CE 3.5Å; D288-M297 VanDerWaalsContact CB-CE 3.5Å; I295-M297 HydrophobicContact CG2-CG 3.95Å
298S93.3Very high81.6Confident5 Ų570.9 Ų70.94%0.03536%0.362CS..  trans-64137.7168.2-172.90000110.9N243 K255 F300N243-S298 VanDerWaalsContact OD1-CB 3.3Å; N243-S298 WeakPolarHBondContact OD1-CB 3.42Å; N243-S298 PolarHBondContact OD1-OG 3.15Å; K255-S298 PolarHBondContact O-N 2.84Å; S298-F300 PolarHBondContact O-N 2.64Å; S298-F300 PolarHBondContact OG-N 3.07Å
299P93.6Very high82.8Confident0 Ų072.4 Ų72.40%037%0.371CS..SBendtrans-73.1-9.917133.3-38.2000112.3L231 I232 I268 Y284 A316L231-P299 WeakPolarHBondContact CB-O 3.43Å; I232-P299 WeakPolarHBondContact CA-O 3.33Å; I232-P299 WeakPolarHBondContact CB-O 3.45Å; I232-P299 HydrophobicContact CD1-CB 4.47Å; I232-P299 PolarHBondContact N-O 3.1Å; I268-P299 HydrophobicContact CD1-CG 4.37Å; Y284-P299 HydrophobicContact CD2-CG 3.76Å; Y284-P299 HydrophobicContact CG-CG 4.09Å; Y284-P299 WeakPolarHBondContact O-CB 3.2Å; P299-A316 HydrophobicContact CB-CB 4.18Å
300F95.6Very high84.2Confident6 Ų669.5 Ų69.53%0.02636%0.356CS..EExtended strand (participates in β ladder)trans-103123.7-172.4-67.5-77.3000112.5L210 I212 I232 V239 I242 N243 L246 I268 S298 W311L210-F300 HydrophobicContact CD2-CE1 4.32Å; I212-F300 HydrophobicContact CD1-CE2 4.07Å; I212-F300 HydrophobicContact CD1-CZ 4.11Å; I232-F300 HydrophobicContact CB-CD1 3.89Å; I232-F300 HydrophobicContact CB-CE1 4.07Å; I232-F300 HydrophobicContact CD1-CE1 4.28Å; I232-F300 HydrophobicContact CG2-CD1 3.75Å; I232-F300 HydrophobicContact CG2-CE1 3.65Å; I232-F300 WeakPolarHBondContact O-CA 3.41Å; V239-F300 HydrophobicContact CG1-CB 3.96Å; I242-F300 HydrophobicContact CD1-CD1 4.12Å; I242-F300 HydrophobicContact CD1-CE1 3.92Å; I242-F300 HydrophobicContact CD1-CZ 4.15Å; I242-F300 HydrophobicContact CG2-CD2 3.42Å; I242-F300 VanDerWaalsContact CG2-CD2 3.42Å; I242-F300 HydrophobicContact CG2-CE2 3.55Å; I242-F300 HydrophobicContact CG2-CG 3.95Å; I242-F300 HydrophobicContact CG2-CZ 4.17Å; N243-F300 PolarHBondContact ND2-O 3.42Å; L246-F300 HydrophobicContact CD1-CD2 4.18Å; L246-F300 HydrophobicContact CD1-CE2 4.25Å; I268-F300 HydrophobicContact CD1-CE2 3.45Å; I268-F300 VanDerWaalsContact CD1-CE2 3.45Å; I268-F300 HydrophobicContact CD1-CZ 3.75Å; I268-F300 HydrophobicContact CG1-CE2 4.24Å; I268-F300 HydrophobicContact CG1-CZ 4.37Å; I268-F300 HydrophobicContact CG2-CZ 3.97Å; S298-F300 PolarHBondContact O-N 2.64Å; S298-F300 PolarHBondContact OG-N 3.07Å; F300-W311 AromaticContact CD1-CZ3 3.92Å; F300-W311 HydrophobicContact CD1-CZ3 3.92Å; F300-W311 AromaticContact CE1-CZ3 3.96Å; F300-W311 HydrophobicContact CE1-CZ3 3.96Å
301E93.6Very high86Confident75 Ų7567.2 Ų67.235%0.3534%0.341SS..EExtended strand (participates in β ladder)trans-126.6130.6178.9-167169.912800110.9L231 I232 L233 G234 R254L231-E301 HydrophobicContact CD1-CB 3.92Å; L231-E301 WeakPolarHBondContact CD1-OE2 3.25Å; I232-E301 PolarHBondContact O-N 2.85Å; L233-E301 WeakPolarHBondContact CA-O 3.44Å; L233-E301 HydrophobicContact CD2-CB 3.76Å; L233-E301 HydrophobicContact CD2-CG 4.41Å; G234-E301 PolarHBondContact N-O 2.82Å; R254-E301 IonicContact NH2-OE2 2.73Å; R254-E301 PolarHBondContact NH2-OE2 3.41Å
302P94.1Very high87.8Confident44 Ų4460.2 Ų60.229%0.28630%0.304SS..EExtended strand (participates in β ladder)trans-73.4135.8178.831.1-33.3000109.2P236 V239P236-P302 HydrophobicContact CB-CB 3.93Å; P236-P302 HydrophobicContact CG-CB 4.23Å; V239-P302 HydrophobicContact CB-CB 4.13Å; V239-P302 HydrophobicContact CG1-CB 4.12Å; V239-P302 HydrophobicContact CG1-CG 4.4Å
303H92.3Very high89.5Confident16 Ų1650.7 Ų50.77%0.07426%0.263CS..  trans-129123.3172.6-162.964.6000111.3L87 D88 L233 G234 S305 L306L87-H303 VanDerWaalsContact CD2-NE2 3.35Å; L87-H303 WeakPolarHBondContact CD2-NE2 3.33Å; D88-H303 IonicContact OD2-CE1 3.3Å; L233-H303 HydrophobicContact CB-CB 4.29Å; L233-H303 HydrophobicContact CD1-CB 4.42Å; G234-H303 PolarHBondContact O-N 2.74Å; G234-H303 VanDerWaalsContact O-N 3.14Å; H303-S305 WeakPolarHBondContact NE2-CB 3.35Å; H303-L306 HydrophobicContact CB-CD1 3.92Å; H303-L306 HydrophobicContact CB-CG 3.96Å
304Y88.8Confident91Very high180 Ų18045.8 Ų45.871%0.70624%0.237SC*.THydrogen-bonded Turntrans-79.6-24.9-169.5-68.3-90.6000113.2P236 L306P236-Y304 HydrophobicContact CB-CD1 4.37Å; P236-Y304 HydrophobicContact CB-CE1 3.99Å; P236-Y304 HydrophobicContact CG-CD1 3.72Å; P236-Y304 HydrophobicContact CG-CD2 4.48Å; P236-Y304 HydrophobicContact CG-CE1 3.85Å; P236-Y304 HydrophobicContact CG-CG 4.07Å; Y304-L306 VanDerWaalsContact C-N 3.31Å
305S86Confident91.9Very high81 Ų8138.7 Ų38.757%0.56621%0.207SC*.THydrogen-bonded Turntrans-84.7-5.5179.1-51.80000112.9H303H303-S305 WeakPolarHBondContact NE2-CB 3.35Å
306L85.8Confident92.6Very high39 Ų3938.2 Ų38.220%0.20420%0.204CC..SBendtrans-69.4139.6173.7-71.6178.3000110.9L233 H303 Y304 V312L233-L306 HydrophobicContact CB-CD1 3.85Å; H303-L306 HydrophobicContact CB-CD1 3.92Å; H303-L306 HydrophobicContact CB-CG 3.96Å; Y304-L306 VanDerWaalsContact C-N 3.31Å; L306-V312 HydrophobicContact CD1-CG2 4.26Å; L306-V312 HydrophobicContact CD2-CG2 3.73Å
307L86.7Confident92.9Very high129 Ų12938.1 Ų38.168%0.67520%0.204SC*.PPolyproline II helixtrans-58.3148169.6-67.2174.9000110.5N309 T310L307-N309 PolarHBondContact O-N 3.16Å; L307-T310 VanDerWaalsContact O-CB 3.28Å; L307-T310 WeakPolarHBondContact O-CB 3.45Å; L307-T310 PolarHBondContact O-N 3.34Å; L307-T310 PolarHBondContact O-OG1 3.03Å
308P87.6Confident93.3Very high114 Ų11438 Ų3874%0.7420%0.203SC*.THydrogen-bonded Turntrans-51.4142173.1-25.734.1000111.2T310P308-T310 PolarHBondContact O-N 3.41Å
309N92.6Very high93.3Very high73 Ų7337.8 Ų37.839%0.3920%0.202SC..THydrogen-bonded Turntrans5832.4178.2-157.339.3000114V220 C221 S222 L307V220-N309 PolarHBondContact O-ND2 3.16Å; C221-N309 WeakPolarHBondContact CA-O 3.11Å; C221-N309 WeakPolarHBondContact CB-O 3.44Å; C221-N309 WeakPolarHBondContact CB-OD1 3.35Å; S222-N309 PolarHBondContact N-O 2.62Å; L307-N309 PolarHBondContact O-N 3.16Å
310T95.6Very high93.4Very high23 Ų2339.8 Ų39.814%0.14121%0.21CC..EExtended strand (participates in β ladder)trans-118.7140.8174-57.70000110.7S222 P235 L307 P308S222-T310 CarbonylContact O-C 3.53Å; S222-T310 WeakPolarHBondContact O-CA 3.2Å; P235-T310 WeakPolarHBondContact CD-O 3.29Å; L307-T310 VanDerWaalsContact O-CB 3.28Å; L307-T310 WeakPolarHBondContact O-CB 3.45Å; L307-T310 PolarHBondContact O-N 3.34Å; L307-T310 PolarHBondContact O-OG1 3.03Å; P308-T310 PolarHBondContact O-N 3.41Å
311W97.8Very high93.5Very high1 Ų139.5 Ų39.50%0.00421%0.208CC..EExtended strand (participates in β ladder)trans-122.8150.6175.6-66.381000109.9M207 L210 C221 S222 A223 L224 I232 L233 Q238 V239 I242 F300 L313M207-W311 HydrophobicContact CE-CB 4.38Å; M207-W311 HydrophobicContact CE-CG 4.05Å; L210-W311 HydrophobicContact CD2-CD2 4.11Å; L210-W311 HydrophobicContact CD2-CE3 4.03Å; L210-W311 HydrophobicContact CD2-CH2 3.5Å; L210-W311 VanDerWaalsContact CD2-CH2 3.5Å; L210-W311 HydrophobicContact CD2-CZ2 3.55Å; L210-W311 HydrophobicContact CD2-CZ3 3.74Å; C221-W311 VanDerWaalsContact SG-CD1 3.56Å; S222-W311 PolarHBondContact O-N 2.59Å; A223-W311 CarbonylContact C-O 3.41Å; A223-W311 WeakPolarHBondContact CA-O 3.16Å; L224-W311 PolarHBondContact N-O 3.39Å; I232-W311 HydrophobicContact CG2-CE3 3.95Å; I232-W311 HydrophobicContact CG2-CZ3 4.32Å; L233-W311 CarbonylContact O-C 3.47Å; L233-W311 VanDerWaalsContact O-CA 3.31Å; L233-W311 WeakPolarHBondContact O-CA 3.32Å; Q238-W311 HydrophobicContact CB-CH2 4.1Å; Q238-W311 HydrophobicContact CB-CZ2 3.91Å; V239-W311 HydrophobicContact CG2-CH2 4.24Å; V239-W311 HydrophobicContact CG2-CZ3 4.12Å; I242-W311 HydrophobicContact CD1-CH2 3.58Å; I242-W311 HydrophobicContact CD1-CZ3 4.18Å; F300-W311 AromaticContact CD1-CZ3 3.92Å; F300-W311 HydrophobicContact CD1-CZ3 3.92Å; F300-W311 AromaticContact CE1-CZ3 3.96Å; F300-W311 HydrophobicContact CE1-CZ3 3.96Å; W311-L313 HydrophobicContact CB-CD2 4.43Å
312V97.8Very high93.7Very high6 Ų636 Ų364%0.03619%0.192CC..EExtended strand (participates in β ladder)trans-111.6122166.2-173.90000107.2L224 D226 T229 I232 L233 L306L224-V312 HydrophobicContact CB-CG2 4.41Å; L224-V312 HydrophobicContact CD2-CG1 4.36Å; L224-V312 HydrophobicContact CD2-CG2 4.36Å; L224-V312 WeakPolarHBondContact O-CA 3.26Å; D226-V312 HydrophobicContact CB-CG1 3.49Å; D226-V312 VanDerWaalsContact CB-CG1 3.49Å; T229-V312 HydrophobicContact CG2-CG1 3.94Å; I232-V312 CarbonylContact C-O 3.56Å; I232-V312 WeakPolarHBondContact CA-O 3.2Å; L233-V312 HydrophobicContact CB-CB 3.89Å; L233-V312 HydrophobicContact CB-CG2 4.12Å; L233-V312 HydrophobicContact CD1-CB 4.33Å; L233-V312 HydrophobicContact CD1-CG2 4.33Å; L233-V312 HydrophobicContact CG-CB 4.16Å; L233-V312 PolarHBondContact N-O 3.13Å; L233-V312 PolarHBondContact O-N 3.3Å; L306-V312 HydrophobicContact CD1-CG2 4.26Å; L306-V312 HydrophobicContact CD2-CG2 3.73Å
313L98Very high93.9Very high0 Ų033.9 Ų33.90%018%0.178CC..EExtended strand (participates in β ladder)trans-102.794.3177.3-55-172.8000107.9A223 L224 I225 D226 I232 F270 F272 W311 F317A223-L313 HydrophobicContact CB-CD1 3.93Å; A223-L313 HydrophobicContact CB-CG 4.11Å; L224-L313 PolarHBondContact O-N 2.89Å; I225-L313 HydrophobicContact CD1-CB 3.78Å; I225-L313 HydrophobicContact CD1-CD1 3.74Å; I225-L313 HydrophobicContact CD1-CG 4.11Å; D226-L313 PolarHBondContact N-O 2.97Å; I232-L313 HydrophobicContact CG2-CD2 3.96Å; F270-L313 HydrophobicContact CD1-CD1 4.2Å; F270-L313 HydrophobicContact CD1-CD2 3.96Å; F270-L313 HydrophobicContact CE1-CD2 3.59Å; F272-L313 HydrophobicContact CZ-CD1 3.91Å; W311-L313 HydrophobicContact CB-CD2 4.43Å; L313-F317 HydrophobicContact CB-CB 3.96Å; L313-F317 HydrophobicContact CB-CD1 3.95Å; L313-F317 HydrophobicContact CB-CG 3.93Å; L313-F317 HydrophobicContact CD1-CD1 4.21Å; L313-F317 HydrophobicContact CD1-CD2 4.13Å; L313-F317 HydrophobicContact CD1-CE1 4.21Å; L313-F317 HydrophobicContact CD1-CE2 4.13Å; L313-F317 HydrophobicContact CD1-CG 4.18Å; L313-F317 HydrophobicContact CD1-CZ 4.17Å
314G97Very high94.2Very high0 Ų033.1 Ų33.10%018%0.175CC..  trans-88.6-154.1-179.700000114.5D226 T229 L231 A316 F317 M318D226-G314 VanDerWaalsContact O-CA 3.29Å; D226-G314 WeakPolarHBondContact O-CA 3.43Å; T229-G314 CarbonylContact O-C 3.59Å; T229-G314 WeakPolarHBondContact O-CA 3.2Å; L231-G314 VanDerWaalsContact O-CA 3.26Å; L231-G314 WeakPolarHBondContact O-CA 3.39Å; L231-G314 PolarHBondContact O-N 2.96Å; G314-A316 PolarHBondContact O-N 3.13Å; G314-F317 WeakPolarHBondContact O-CA 3.42Å; G314-F317 WeakPolarHBondContact O-CB 2.99Å; G314-F317 PolarHBondContact O-N 2.9Å; G314-M318 PolarHBondContact O-N 2.83Å
315D94.7Very high94.7Very high2 Ų224.5 Ų24.51%0.01114%0.141CC..Hα-helixtrans-59.2-30.6-175.4-59.6-25.2000113.7Y23 L166 T229 F317 M318 G319Y23-D315 HydrophobicContact CD2-CB 4.24Å; Y23-D315 VanDerWaalsContact CD2-OD2 3.23Å; Y23-D315 WeakPolarHBondContact CD2-OD2 3.45Å; Y23-D315 HydrophobicContact CE2-CB 3.81Å; Y23-D315 WeakPolarHBondContact CE2-OD2 3.41Å; L166-D315 HydrophobicContact CD1-CB 4.02Å; L166-D315 WeakPolarHBondContact CD1-OD1 3.31Å; T229-D315 PolarHBondContact O-N 3.04Å; D315-F317 PolarHBondContact O-N 3.32Å; D315-M318 PolarHBondContact O-N 2.96Å; D315-G319 WeakPolarHBondContact O-CA 3.09Å; D315-G319 PolarHBondContact O-N 2.9Å
316A94.2Very high95.3Very high1 Ų120.8 Ų20.81%0.00812%0.115CC..Hα-helixtrans-60.2-31.2173.600000112.7S230 I232 P299 G314S230-A316 PolarHBondContact O-N 3.37Å; I232-A316 HydrophobicContact CD1-CB 4.5Å; I232-A316 HydrophobicContact CG1-CB 4.06Å; P299-A316 HydrophobicContact CB-CB 4.18Å; G314-A316 PolarHBondContact O-N 3.13Å
317F97Very high95.8Very high0 Ų019.2 Ų19.20%011%0.106CC..Hα-helixtrans-87.4-52.2172.7176.2-92000111F270 F272 L313 G314 D315 G319 R320 F321 L334F270-F317 HydrophobicContact CB-CE2 4.01Å; F270-F317 HydrophobicContact CD1-CD2 4.27Å; F270-F317 HydrophobicContact CD1-CE2 4.27Å; F270-F317 AromaticContact CD2-CD2 3.92Å; F270-F317 HydrophobicContact CD2-CD2 3.92Å; F270-F317 AromaticContact CD2-CE2 3.89Å; F270-F317 HydrophobicContact CD2-CE2 3.89Å; F270-F317 HydrophobicContact CE1-CD2 4.43Å; F270-F317 HydrophobicContact CE2-CD2 4.08Å; F270-F317 HydrophobicContact CG-CD2 4.06Å; F270-F317 AromaticContact CG-CE2 3.78Å; F270-F317 HydrophobicContact CG-CE2 3.78Å; F270-F317 HydrophobicContact CZ-CD2 4.36Å; F272-F317 HydrophobicContact CE2-CE2 4.38Å; F272-F317 AromaticContact CE2-CZ 3.98Å; F272-F317 HydrophobicContact CE2-CZ 3.98Å; F272-F317 HydrophobicContact CZ-CZ 4.25Å; L313-F317 HydrophobicContact CB-CB 3.96Å; L313-F317 HydrophobicContact CB-CD1 3.95Å; L313-F317 HydrophobicContact CB-CG 3.93Å; L313-F317 HydrophobicContact CD1-CD1 4.21Å; L313-F317 HydrophobicContact CD1-CD2 4.13Å; L313-F317 HydrophobicContact CD1-CE1 4.21Å; L313-F317 HydrophobicContact CD1-CE2 4.13Å; L313-F317 HydrophobicContact CD1-CG 4.18Å; L313-F317 HydrophobicContact CD1-CZ 4.17Å; G314-F317 WeakPolarHBondContact O-CA 3.42Å; G314-F317 WeakPolarHBondContact O-CB 2.99Å; G314-F317 PolarHBondContact O-N 2.9Å; D315-F317 PolarHBondContact O-N 3.32Å; F317-G319 PolarHBondContact O-N 3.11Å; F317-R320 PolarHBondContact O-N 3.05Å; F317-F321 HydrophobicContact CD1-CD2 4.1Å; F317-F321 AromaticContact CD2-CD2 3.74Å; F317-F321 HydrophobicContact CD2-CD2 3.74Å; F317-F321 AromaticContact CD2-CE2 3.82Å; F317-F321 HydrophobicContact CD2-CE2 3.82Å; F317-F321 HydrophobicContact CE1-CB 4.36Å; F317-F321 AromaticContact CE1-CD2 3.85Å; F317-F321 HydrophobicContact CE1-CD2 3.85Å; F317-F321 AromaticContact CE2-CD2 3.47Å; F317-F321 HydrophobicContact CE2-CD2 3.47Å; F317-F321 VanDerWaalsContact CE2-CD2 3.47Å; F317-F321 AromaticContact CE2-CE2 3.57Å; F317-F321 HydrophobicContact CE2-CE2 3.57Å; F317-F321 HydrophobicContact CG-CD2 4.05Å; F317-F321 AromaticContact CZ-CD2 3.52Å; F317-F321 HydrophobicContact CZ-CD2 3.52Å; F317-F321 HydrophobicContact CZ-CE2 4.08Å; F317-F321 HydrophobicContact CZ-CG 4.31Å; F317-F321 VanDerWaalsContact O-CD2 3.25Å; F317-F321 WeakPolarHBondContact O-CD2 3.3Å; F317-F321 PolarHBondContact O-N 3.17Å; F317-L334 HydrophobicContact CE1-CD1 4.24Å; F317-L334 HydrophobicContact CE1-CD2 4.09Å; F317-L334 HydrophobicContact CZ-CD1 4.06Å
318M97Very high96.1Very high2 Ų214.9 Ų14.91%0.019%0.093CC..Hα-helixtrans-65.1-25.2-175.1-64.5-175.263.400113.1F164 L166 I225 T227 G314 D315 R320 F321 T323 F325F164-M318 HydrophobicContact CB-CE 4.07Å; L166-M318 HydrophobicContact CD1-CB 3.82Å; I225-M318 HydrophobicContact CG2-CE 4.17Å; I225-M318 HydrophobicContact CG2-CG 4.03Å; I225-M318 HydrophobicContact CG2-SD 3.59Å; I225-M318 VanDerWaalsContact CG2-SD 3.59Å; T227-M318 HydrophobicContact CG2-CE 3.34Å; T227-M318 HydrophobicContact CG2-SD 3.72Å; G314-M318 PolarHBondContact O-N 2.83Å; D315-M318 PolarHBondContact O-N 2.96Å; M318-R320 PolarHBondContact O-N 2.96Å; M318-F321 CarbonylContact O-C 3.6Å; M318-F321 PolarHBondContact O-N 3.41Å; M318-T323 HydrophobicContact CE-CG2 3.94Å; M318-F325 HydrophobicContact CE-CE2 3.92Å; M318-F325 HydrophobicContact CE-CZ 3.89Å
319G94.3Very high96.6Very high1 Ų115 Ų151%0.018%0.083CC..THydrogen-bonded Turntrans-63.8-22.217400000114.2L166 D315 F317 T340L166-G319 WeakPolarHBondContact O-CA 2.94Å; D315-G319 WeakPolarHBondContact O-CA 3.09Å; D315-G319 PolarHBondContact O-N 2.9Å; F317-G319 PolarHBondContact O-N 3.11Å; G319-T340 WeakPolarHBondContact O-CG2 3.21Å
320R95.4Very high96.7Very high43 Ų4317.1 Ų17.116%0.1629%0.086CC..THydrogen-bonded Turntrans-99.4-21.7174.4177.457.3-163.312911.9112.4L279 F317 M318 D336 A337 T340L279-R320 HydrophobicContact CD2-CB 3.54Å; L279-R320 HydrophobicContact CD2-CG 3.81Å; F317-R320 PolarHBondContact O-N 3.05Å; M318-R320 PolarHBondContact O-N 2.96Å; R320-D336 IonicContact CZ-OD1 3.95Å; R320-D336 IonicContact NE-OD1 3.17Å; R320-D336 VanDerWaalsContact NH2-CG 3.28Å; R320-D336 IonicContact NH2-OD1 3.47Å; R320-D336 PolarHBondContact NH2-OD1 3.04Å; R320-A337 PolarHBondContact NH1-O 3.12Å; R320-A337 WeakPolarHBondContact O-CB 3.34Å; R320-A337 PolarHBondContact O-N 2.78Å; R320-T340 WeakPolarHBondContact CD-OG1 3.2Å; R320-T340 PolarHBondContact NH1-OG1 2.93Å
321F97.5Very high96.8Very high0 Ų018.6 Ų18.60%09%0.089CC..EExtended strand (participates in β ladder)trans-125.3112-172.1-52.7-59.3000111.1Y277 L279 F317 M318 T323 A335Y277-F321 HydrophobicContact CD1-CB 4.45Å; Y277-F321 AromaticContact CD1-CD1 3.46Å; Y277-F321 HydrophobicContact CD1-CD1 3.46Å; Y277-F321 VanDerWaalsContact CD1-CD1 3.46Å; Y277-F321 HydrophobicContact CD1-CD2 4.2Å; Y277-F321 AromaticContact CD1-CE1 3.6Å; Y277-F321 HydrophobicContact CD1-CE1 3.6Å; Y277-F321 HydrophobicContact CD1-CE2 4.35Å; Y277-F321 AromaticContact CD1-CG 3.76Å; Y277-F321 HydrophobicContact CD1-CG 3.76Å; Y277-F321 HydrophobicContact CD1-CZ 4.08Å; Y277-F321 HydrophobicContact CE1-CD1 4.19Å; Y277-F321 HydrophobicContact CG-CD1 4.44Å; Y277-F321 HydrophobicContact CG-CE1 4.28Å; Y277-F321 HydrophobicContact CG-CZ 4.34Å; L279-F321 HydrophobicContact CD2-CD2 4.44Å; L279-F321 HydrophobicContact CD2-CE2 3.56Å; L279-F321 HydrophobicContact CD2-CZ 4Å; L279-F321 HydrophobicContact CG-CE2 4.22Å; F317-F321 HydrophobicContact CD1-CD2 4.1Å; F317-F321 AromaticContact CD2-CD2 3.74Å; F317-F321 HydrophobicContact CD2-CD2 3.74Å; F317-F321 AromaticContact CD2-CE2 3.82Å; F317-F321 HydrophobicContact CD2-CE2 3.82Å; F317-F321 HydrophobicContact CE1-CB 4.36Å; F317-F321 AromaticContact CE1-CD2 3.85Å; F317-F321 HydrophobicContact CE1-CD2 3.85Å; F317-F321 AromaticContact CE2-CD2 3.47Å; F317-F321 HydrophobicContact CE2-CD2 3.47Å; F317-F321 VanDerWaalsContact CE2-CD2 3.47Å; F317-F321 AromaticContact CE2-CE2 3.57Å; F317-F321 HydrophobicContact CE2-CE2 3.57Å; F317-F321 HydrophobicContact CG-CD2 4.05Å; F317-F321 AromaticContact CZ-CD2 3.52Å; F317-F321 HydrophobicContact CZ-CD2 3.52Å; F317-F321 HydrophobicContact CZ-CE2 4.08Å; F317-F321 HydrophobicContact CZ-CG 4.31Å; F317-F321 VanDerWaalsContact O-CD2 3.25Å; F317-F321 WeakPolarHBondContact O-CD2 3.3Å; F317-F321 PolarHBondContact O-N 3.17Å; M318-F321 CarbonylContact O-C 3.6Å; M318-F321 PolarHBondContact O-N 3.41Å; F321-T323 PolarHBondContact O-N 3.36Å; F321-T323 PolarHBondContact O-OG1 3.27Å; F321-A335 CarbonylContact C-O 3.57Å; F321-A335 WeakPolarHBondContact CA-O 3.41Å
322Y98Very high96.9Very high0 Ų018.5 Ų18.50%09%0.089CC..EExtended strand (participates in β ladder)trans-58.5129.5173.6-170.3-77.2000108.7S163 L183 N184 F188 F192 V324 A335S163-Y322 VanDerWaalsContact CB-CE1 3.49Å; S163-Y322 WeakPolarHBondContact CB-OH 3.29Å; S163-Y322 PolarHBondContact OG-OH 2.86Å; L183-Y322 WeakPolarHBondContact CA-OH 3.25Å; L183-Y322 HydrophobicContact CB-CE1 4.23Å; N184-Y322 PolarHBondContact N-OH 2.83Å; F188-Y322 HydrophobicContact CB-CD1 4.48Å; F188-Y322 HydrophobicContact CB-CD2 4.16Å; F188-Y322 HydrophobicContact CB-CG 3.89Å; F188-Y322 HydrophobicContact CD1-CD1 4.26Å; F188-Y322 HydrophobicContact CD1-CD2 4.24Å; F188-Y322 HydrophobicContact CD1-CE1 4.3Å; F188-Y322 HydrophobicContact CD1-CE2 4.28Å; F188-Y322 HydrophobicContact CD1-CG 4.23Å; F188-Y322 HydrophobicContact CG-CG 4.45Å; F192-Y322 AromaticContact CE1-CD1 3.82Å; F192-Y322 HydrophobicContact CE1-CD1 3.82Å; F192-Y322 HydrophobicContact CE1-CE1 4.44Å; F192-Y322 AromaticContact CZ-CD1 3.8Å; F192-Y322 HydrophobicContact CZ-CD1 3.8Å; F192-Y322 HydrophobicContact CZ-CE1 4.16Å; Y322-V324 HydrophobicContact CD1-CG2 4.17Å; Y322-V324 HydrophobicContact CE1-CG2 3.86Å; Y322-A335 PolarHBondContact N-O 3.37Å; Y322-A335 PolarHBondContact O-N 2.97Å; Y322-A335 VanDerWaalsContact O-N 3.08Å
323T98.7Very high96.9Very high0 Ų018.2 Ų18.20%09%0.087CC..EExtended strand (participates in β ladder)trans-121.4126.2-168.9-590000110.4S163 F164 I225 M318 F321 F325 I332 G333 L334S163-T323 CarbonylContact C-O 3.43Å; S163-T323 WeakPolarHBondContact CA-O 3.26Å; S163-T323 VanDerWaalsContact CB-O 3.29Å; S163-T323 WeakPolarHBondContact CB-O 3.25Å; F164-T323 PolarHBondContact N-O 3.18Å; F164-T323 PolarHBondContact O-N 2.76Å; I225-T323 HydrophobicContact CG2-CG2 3.98Å; M318-T323 HydrophobicContact CE-CG2 3.94Å; F321-T323 PolarHBondContact O-N 3.36Å; F321-T323 PolarHBondContact O-OG1 3.27Å; T323-F325 HydrophobicContact CG2-CD2 4.09Å; T323-F325 HydrophobicContact CG2-CE1 4.29Å; T323-F325 HydrophobicContact CG2-CE2 3.52Å; T323-F325 HydrophobicContact CG2-CZ 3.65Å; T323-I332 HydrophobicContact CG2-CG2 3.79Å; T323-G333 CarbonylContact C-O 3.39Å; T323-G333 WeakPolarHBondContact CA-O 3.36Å; T323-L334 HydrophobicContact CG2-CD2 4.09Å
324V98.6Very high96.9Very high0 Ų018.2 Ų18.20%09%0.087CC..EExtended strand (participates in β ladder)trans-108.8127.4173.61790000108.5I161 F192 Y194 Y322 I332 G333I161-V324 HydrophobicContact CB-CG1 4.32Å; I161-V324 HydrophobicContact CD1-CG1 4.27Å; F192-V324 HydrophobicContact CD1-CG2 4.15Å; F192-V324 HydrophobicContact CE1-CB 4.49Å; F192-V324 HydrophobicContact CE1-CG2 3.48Å; F192-V324 VanDerWaalsContact CE1-CG2 3.48Å; F192-V324 HydrophobicContact CZ-CG2 3.83Å; Y194-V324 HydrophobicContact CE1-CG1 4.4Å; Y322-V324 HydrophobicContact CD1-CG2 4.17Å; Y322-V324 HydrophobicContact CE1-CG2 3.86Å; V324-I332 CarbonylContact O-C 3.58Å; V324-I332 VanDerWaalsContact O-CA 3.27Å; V324-I332 WeakPolarHBondContact O-CA 3.4Å; V324-G333 PolarHBondContact N-O 3.5Å; V324-G333 PolarHBondContact O-N 3.05Å
325F98.5Very high96.9Very high0 Ų018.3 Ų18.30%09%0.088CC..EExtended strand (participates in β ladder)trans-101.7101.4172.8-63.3-89.3000108.2T42 I161 F162 F164 W203 I225 T227 M318 T323 F327 I332T42-F325 HydrophobicContact CG2-CD1 4.28Å; T42-F325 HydrophobicContact CG2-CD2 4.37Å; T42-F325 HydrophobicContact CG2-CE1 3.81Å; T42-F325 HydrophobicContact CG2-CE2 3.93Å; T42-F325 HydrophobicContact CG2-CZ 3.62Å; I161-F325 VanDerWaalsContact CA-O 3.27Å; I161-F325 WeakPolarHBondContact CA-O 3.41Å; F162-F325 HydrophobicContact CD1-CB 4.13Å; F162-F325 HydrophobicContact CD2-CB 3.77Å; F162-F325 AromaticContact CD2-CD2 3.7Å; F162-F325 HydrophobicContact CD2-CD2 3.7Å; F162-F325 HydrophobicContact CD2-CG 4.01Å; F162-F325 HydrophobicContact CE1-CB 3.74Å; F162-F325 HydrophobicContact CE2-CB 3.33Å; F162-F325 HydrophobicContact CE2-CD1 4.21Å; F162-F325 AromaticContact CE2-CD2 3.33Å; F162-F325 HydrophobicContact CE2-CD2 3.33Å; F162-F325 HydrophobicContact CE2-CE2 4.14Å; F162-F325 AromaticContact CE2-CG 3.36Å; F162-F325 HydrophobicContact CE2-CG 3.36Å; F162-F325 HydrophobicContact CG-CB 4.15Å; F162-F325 HydrophobicContact CZ-CB 3.32Å; F162-F325 HydrophobicContact CZ-CD1 4.31Å; F162-F325 HydrophobicContact CZ-CD2 4.15Å; F162-F325 AromaticContact CZ-CG 3.69Å; F162-F325 HydrophobicContact CZ-CG 3.69Å; F162-F325 PolarHBondContact N-O 2.8Å; F162-F325 PolarHBondContact O-N 2.88Å; F164-F325 AromaticContact CD2-CD2 3.98Å; F164-F325 HydrophobicContact CD2-CD2 3.98Å; F164-F325 AromaticContact CD2-CE2 3.65Å; F164-F325 HydrophobicContact CD2-CE2 3.65Å; F164-F325 HydrophobicContact CE2-CD2 4.4Å; F164-F325 HydrophobicContact CE2-CE2 4.18Å; W203-F325 HydrophobicContact CB-CD1 4.13Å; W203-F325 HydrophobicContact CB-CE1 3.93Å; W203-F325 AromaticContact CD1-CD1 3.85Å; W203-F325 AromaticContact CD1-CE1 3.98Å; W203-F325 HydrophobicContact CD2-CB 4.44Å; W203-F325 AromaticContact CD2-CD1 3.44Å; W203-F325 HydrophobicContact CD2-CD1 3.44Å; W203-F325 VanDerWaalsContact CD2-CD1 3.44Å; W203-F325 HydrophobicContact CD2-CE1 4.15Å; W203-F325 HydrophobicContact CD2-CG 4.39Å; W203-F325 AromaticContact CE2-CD1 3.66Å; W203-F325 HydrophobicContact CE3-CB 4.48Å; W203-F325 AromaticContact CE3-CD1 3.84Å; W203-F325 HydrophobicContact CE3-CD1 3.84Å; W203-F325 AromaticContact CG-CD1 3.55Å; W203-F325 HydrophobicContact CG-CD1 3.55Å; W203-F325 AromaticContact CG-CE1 3.75Å; W203-F325 HydrophobicContact CG-CE1 3.75Å; W203-F325 HydrophobicContact CH2-CB 3.85Å; W203-F325 HydrophobicContact CZ2-CB 3.8Å; W203-F325 HydrophobicContact CZ2-CD1 4.25Å; W203-F325 HydrophobicContact CZ2-CG 4.47Å; W203-F325 HydrophobicContact CZ3-CB 4.2Å; W203-F325 HydrophobicContact CZ3-CD1 4.4Å; W203-F325 AromaticContact NE1-CD1 3.87Å; I225-F325 HydrophobicContact CB-CE1 4.18Å; I225-F325 HydrophobicContact CB-CZ 4.43Å; I225-F325 HydrophobicContact CG2-CE1 4.07Å; I225-F325 HydrophobicContact CG2-CZ 3.83Å; T227-F325 HydrophobicContact CG2-CE2 4.45Å; T227-F325 HydrophobicContact CG2-CZ 4.42Å; M318-F325 HydrophobicContact CE-CE2 3.92Å; M318-F325 HydrophobicContact CE-CZ 3.89Å; T323-F325 HydrophobicContact CG2-CD2 4.09Å; T323-F325 HydrophobicContact CG2-CE1 4.29Å; T323-F325 HydrophobicContact CG2-CE2 3.52Å; T323-F325 HydrophobicContact CG2-CZ 3.65Å; F325-F327 PolarHBondContact O-N 3.35Å; F325-I332 HydrophobicContact CD1-CD1 4.48Å; F325-I332 HydrophobicContact CD1-CG1 4.45Å; F325-I332 HydrophobicContact CE1-CD1 4.35Å
326D97.8Very high96.9Very high3 Ų321.6 Ų21.62%0.01611%0.105CC..EExtended strand (participates in β ladder)trans-93.292.5-177.8-175.4-19.6000109I161 G328 Q329 R330 R331I161-D326 HydrophobicContact CG2-CB 3.98Å; D326-G328 VanDerWaalsContact C-N 3.3Å; D326-G328 PolarHBondContact OD1-N 2.81Å; D326-Q329 WeakPolarHBondContact OD1-CB 3.45Å; D326-Q329 PolarHBondContact OD1-N 2.95Å; D326-R330 VanDerWaalsContact O-CA 3.31Å; D326-R330 WeakPolarHBondContact O-CA 3.48Å; D326-R330 PolarHBondContact O-N 2.91Å; D326-R331 HydrophobicContact CB-CG 3.69Å; D326-R331 WeakPolarHBondContact CB-O 3.43Å; D326-R331 PolarHBondContact N-O 3.42Å; D326-R331 PolarHBondContact O-N 3.48Å; D326-R331 IonicContact OD2-CZ 2.94Å; D326-R331 VanDerWaalsContact OD2-CZ 3.3Å; D326-R331 IonicContact OD2-NE 2.73Å; D326-R331 PolarHBondContact OD2-NE 3.12Å; D326-R331 IonicContact OD2-NH2 2.78Å; D326-R331 PolarHBondContact OD2-NH2 2.78Å
327F96.3Very high97Very high5 Ų521.6 Ų21.62%0.02211%0.105CC..THydrogen-bonded Turntrans-69.2-30.7-178.2-165.6-90.4000112S136 R138 F148 P149 L152 P160 W203 F325S136-F327 VanDerWaalsContact O-CE2 3.26Å; S136-F327 WeakPolarHBondContact O-CE2 3.28Å; R138-F327 HydrophobicContact CG-CE1 3.93Å; R138-F327 HydrophobicContact CG-CZ 3.62Å; R138-F327 VanDerWaalsContact CZ-CE1 3.47Å; F148-F327 HydrophobicContact CD1-CB 4.05Å; F148-F327 HydrophobicContact CD1-CD1 4.44Å; F148-F327 AromaticContact CD1-CD2 3.94Å; F148-F327 HydrophobicContact CD1-CD2 3.94Å; F148-F327 AromaticContact CD1-CG 3.92Å; F148-F327 HydrophobicContact CD1-CG 3.92Å; F148-F327 HydrophobicContact CE1-CB 3.63Å; F148-F327 HydrophobicContact CE1-CD1 4.48Å; F148-F327 HydrophobicContact CE1-CD2 4.4Å; F148-F327 AromaticContact CE1-CG 3.97Å; F148-F327 HydrophobicContact CE1-CG 3.97Å; P149-F327 HydrophobicContact CG-CE1 4.49Å; P149-F327 HydrophobicContact CG-CE2 4.34Å; P149-F327 HydrophobicContact CG-CZ 3.79Å; L152-F327 HydrophobicContact CD1-CD1 4.06Å; L152-F327 HydrophobicContact CD1-CE1 4.45Å; P160-F327 WeakPolarHBondContact O-CA 3.48Å; P160-F327 WeakPolarHBondContact O-CB 3.4Å; P160-F327 PolarHBondContact O-N 2.96Å; W203-F327 HydrophobicContact CH2-CB 4.15Å; W203-F327 HydrophobicContact CH2-CD2 4.18Å; W203-F327 AromaticContact CZ2-CD2 3.96Å; W203-F327 HydrophobicContact CZ2-CD2 3.96Å; F325-F327 PolarHBondContact O-N 3.35Å
328G94.7Very high96.6Very high38 Ų3823.9 Ų23.939%0.39212%0.119SC..THydrogen-bonded Turntrans-66.4-49.6176.600000112.3P160 D326P160-G328 PolarHBondContact O-N 2.91Å; D326-G328 VanDerWaalsContact C-N 3.3Å; D326-G328 PolarHBondContact OD1-N 2.81Å
329Q96.4Very high95.4Very high117 Ų11726.8 Ų26.855%0.54715%0.149SC..THydrogen-bonded Turntrans-99.11.7-175.4-54.7-168.440.600114D326 R331D326-Q329 WeakPolarHBondContact OD1-CB 3.45Å; D326-Q329 PolarHBondContact OD1-N 2.95Å; Q329-R331 HydrophobicContact CB-CG 3.99Å; Q329-R331 VanDerWaalsContact OE1-NH2 3.14Å
330R96.4Very high93.7Very high117 Ų11728.6 Ų28.644%0.44216%0.16SC..THydrogen-bonded Turntrans54.659.8177.5-56.3-174.5-173.6169.85.8112.3T197 N200 D326T197-R330 PolarHBondContact N-O 2.95Å; T197-R330 PolarHBondContact OG1-O 3.44Å; N200-R330 PolarHBondContact ND2-NH1 3.3Å; N200-R330 VanDerWaalsContact ND2-NH1 3.18Å; N200-R330 WeakPolarHBondContact OD1-CD 3.18Å; N200-R330 PolarHBondContact OD1-NH1 2.99Å; D326-R330 VanDerWaalsContact O-CA 3.31Å; D326-R330 WeakPolarHBondContact O-CA 3.48Å; D326-R330 PolarHBondContact O-N 2.91Å
331R97.7Very high93.6Very high54 Ų5427.9 Ų27.920%0.20416%0.16CC..EExtended strand (participates in β ladder)trans-153.3159.4-176.660.9-171.8-167.4178.2-3110.8Y194 I195 D326 Q329Y194-R331 HydrophobicContact CD1-CG 3.85Å; I195-R331 CarbonylContact O-C 3.59Å; I195-R331 WeakPolarHBondContact O-CA 3.43Å; I195-R331 VanDerWaalsContact O-CB 3.29Å; I195-R331 WeakPolarHBondContact O-CB 3.46Å; D326-R331 HydrophobicContact CB-CG 3.69Å; D326-R331 WeakPolarHBondContact CB-O 3.43Å; D326-R331 PolarHBondContact N-O 3.42Å; D326-R331 PolarHBondContact O-N 3.48Å; D326-R331 IonicContact OD2-CZ 2.94Å; D326-R331 VanDerWaalsContact OD2-CZ 3.3Å; D326-R331 IonicContact OD2-NE 2.73Å; D326-R331 PolarHBondContact OD2-NE 3.12Å; D326-R331 IonicContact OD2-NH2 2.78Å; D326-R331 PolarHBondContact OD2-NH2 2.78Å; Q329-R331 HydrophobicContact CB-CG 3.99Å; Q329-R331 VanDerWaalsContact OE1-NH2 3.14Å
332I98.3Very high93.4Very high0 Ų029.3 Ų29.30%017%0.169CC..EExtended strand (participates in β ladder)trans-110.1130.4173.5-59.7-177.7000108.2Y194 I195 T197 W203 I205 I225 T323 V324 F325 L334Y194-I332 CarbonylContact C-O 3.57Å; Y194-I332 VanDerWaalsContact CA-O 3.29Å; Y194-I332 WeakPolarHBondContact CA-O 3.42Å; I195-I332 PolarHBondContact N-O 3.01Å; I195-I332 PolarHBondContact O-N 2.81Å; T197-I332 HydrophobicContact CG2-CG1 4.32Å; W203-I332 HydrophobicContact CB-CD1 3.9Å; W203-I332 HydrophobicContact CE3-CD1 4.37Å; W203-I332 HydrophobicContact CE3-CG1 3.99Å; I205-I332 HydrophobicContact CD1-CD1 4.48Å; I205-I332 HydrophobicContact CG2-CB 4.09Å; I205-I332 HydrophobicContact CG2-CD1 3.63Å; I205-I332 HydrophobicContact CG2-CG1 3.87Å; I225-I332 HydrophobicContact CB-CD1 3.75Å; I225-I332 HydrophobicContact CG1-CD1 3.33Å; I225-I332 HydrophobicContact CG1-CG2 4.5Å; T323-I332 HydrophobicContact CG2-CG2 3.79Å; V324-I332 CarbonylContact O-C 3.58Å; V324-I332 VanDerWaalsContact O-CA 3.27Å; V324-I332 WeakPolarHBondContact O-CA 3.4Å; F325-I332 HydrophobicContact CD1-CD1 4.48Å; F325-I332 HydrophobicContact CD1-CG1 4.45Å; F325-I332 HydrophobicContact CE1-CD1 4.35Å; I332-L334 HydrophobicContact CG2-CD2 4.04Å; I332-L334 HydrophobicContact CG2-CG 4.21Å
333G98.1Very high93.1Very high0 Ų030.9 Ų30.90%018%0.178CC..EExtended strand (participates in β ladder)trans-97.5128.5170.400000110.4E193 T323 V324E193-G333 WeakPolarHBondContact O-CA 3.48Å; T323-G333 CarbonylContact C-O 3.39Å; T323-G333 WeakPolarHBondContact CA-O 3.36Å; V324-G333 PolarHBondContact N-O 3.5Å; V324-G333 PolarHBondContact O-N 3.05Å
334L98.1Very high92.8Very high0 Ų032.8 Ų32.80%019%0.188CC..EExtended strand (participates in β ladder)trans-118.8136.2175.5-63174.6000111F192 E193 I195 F272 Y277 F317 T323 I332F192-L334 CarbonylContact C-O 3.51Å; F192-L334 VanDerWaalsContact CA-O 3.28Å; F192-L334 WeakPolarHBondContact CA-O 3.47Å; E193-L334 PolarHBondContact N-O 2.86Å; E193-L334 PolarHBondContact O-N 2.94Å; I195-L334 HydrophobicContact CD1-CD1 4.02Å; F272-L334 HydrophobicContact CD2-CD1 4.3Å; F272-L334 HydrophobicContact CE2-CD1 3.97Å; F272-L334 HydrophobicContact CZ-CD1 4.36Å; Y277-L334 HydrophobicContact CD1-CB 4.42Å; Y277-L334 HydrophobicContact CE1-CB 3.54Å; Y277-L334 HydrophobicContact CE1-CD1 4.36Å; Y277-L334 HydrophobicContact CE2-CB 4.36Å; Y277-L334 HydrophobicContact CE2-CD1 4.18Å; Y277-L334 WeakPolarHBondContact OH-CB 3.4Å; Y277-L334 PolarHBondContact OH-O 2.87Å; F317-L334 HydrophobicContact CE1-CD1 4.24Å; F317-L334 HydrophobicContact CE1-CD2 4.09Å; F317-L334 HydrophobicContact CZ-CD1 4.06Å; T323-L334 HydrophobicContact CG2-CD2 4.09Å; I332-L334 HydrophobicContact CG2-CD2 4.04Å; I332-L334 HydrophobicContact CG2-CG 4.21Å
335A96.9Very high92.4Very high2 Ų234.8 Ų34.82%0.01720%0.2CC..EExtended strand (participates in β ladder)trans-142.6163.6172.600000110.6F188 F192 F321 Y322 A337F188-A335 HydrophobicContact CB-CB 4.16Å; F188-A335 HydrophobicContact CD2-CB 4.45Å; F192-A335 HydrophobicContact CD1-CB 3.7Å; F192-A335 HydrophobicContact CD2-CB 4.44Å; F192-A335 HydrophobicContact CE1-CB 3.61Å; F192-A335 HydrophobicContact CE2-CB 4.38Å; F192-A335 HydrophobicContact CG-CB 4.12Å; F192-A335 HydrophobicContact CZ-CB 3.98Å; F321-A335 CarbonylContact C-O 3.57Å; F321-A335 WeakPolarHBondContact CA-O 3.41Å; Y322-A335 PolarHBondContact N-O 3.37Å; Y322-A335 PolarHBondContact O-N 2.97Å; Y322-A335 VanDerWaalsContact O-N 3.08Å; A335-A337 PolarHBondContact O-N 3.41Å
336D95.8Very high92Very high70 Ų7037.1 Ų37.137%0.37421%0.214SC..EExtended strand (participates in β ladder)trans-68.7126.2175.4-78.1-57.5000110.3F188 N189 R320F188-D336 CarbonylContact C-O 3.58Å; F188-D336 VanDerWaalsContact CA-O 3.24Å; F188-D336 WeakPolarHBondContact CA-O 3.46Å; N189-D336 PolarHBondContact N-O 2.95Å; R320-D336 IonicContact CZ-OD1 3.95Å; R320-D336 IonicContact NE-OD1 3.17Å; R320-D336 VanDerWaalsContact NH2-CG 3.28Å; R320-D336 IonicContact NH2-OD1 3.47Å; R320-D336 PolarHBondContact NH2-OD1 3.04Å
337A95Very high91.6Very high2 Ų239.6 Ų39.62%0.01723%0.228CC..EExtended strand (participates in β ladder)trans-72.4148.7174.400000111.5Y165 Y187 R320 A335 T340Y165-A337 HydrophobicContact CD2-CB 4.34Å; Y165-A337 HydrophobicContact CE2-CB 4.34Å; Y187-A337 WeakPolarHBondContact O-CA 3.24Å; R320-A337 PolarHBondContact NH1-O 3.12Å; R320-A337 WeakPolarHBondContact O-CB 3.34Å; R320-A337 PolarHBondContact O-N 2.78Å; A335-A337 PolarHBondContact O-N 3.41Å; A337-T340 HydrophobicContact CB-CG2 4.17Å; A337-T340 PolarHBondContact O-OG1 3.44Å
338V89Confident91.3Very high47 Ų4742.2 Ų42.229%0.28524%0.243SC..SBendtrans-78.8139.4173.1176.60000109.9Y187 N189Y187-V338 PolarHBondContact O-N 2.98Å; N189-V338 WeakPolarHBondContact ND2-CG2 3.45Å
339G72Confident91Very high63 Ų6342.6 Ų42.665%0.64923%0.231SC*.  trans75.634.9167.700000115.8
340T58Low90.5Very high39 Ų3935.8 Ų35.824%0.23920%0.202CC..  trans-123.80-174.648.60000113.9H283 G319 R320 A337H283-T340 PolarHBondContact CD2-OXT 2.61Å; G319-T340 WeakPolarHBondContact O-CG2 3.21Å; R320-T340 WeakPolarHBondContact CD-OG1 3.2Å; R320-T340 PolarHBondContact NH1-OG1 2.93Å; A337-T340 HydrophobicContact CB-CG2 4.17Å; A337-T340 PolarHBondContact O-OG1 3.44Å

Retrieved 340 of 340 residues in 231.5 ms (Link to these results)

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