A0A060WSH4_ONCMY Loading...

AP-5 complex subunit mu-1

AlphaFold DB , UniProt , Accession A0A060WSH4, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene n/a, Length 491 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
1M71.5Confident90.3Very high62 Ų6213.5 Ų13.531%0.3057%0.066SC..  01290-77.2-53.1-147.800107.2D114 F127 P175M1-D114 HydrophobicContact SD-CB 4.24Å; M1-F127 HydrophobicContact CB-CD1 4.39Å; M1-F127 HydrophobicContact CE-CB 3.85Å; M1-F127 HydrophobicContact CE-CD1 4.28Å; M1-F127 HydrophobicContact CG-CD1 3.6Å; M1-F127 HydrophobicContact CG-CE1 4.19Å; M1-P175 WeakPolarHBondContact O-CD 3.41Å
2S87.9Confident88.9Confident10 Ų1017.6 Ų17.67%0.078%0.084CC..  trans-144.7152.2-161.2-54.60000112.3V112 G173 T174S2-V112 WeakPolarHBondContact O-CB 3.23Å; S2-V112 PolarHBondContact O-N 3.23Å; S2-G173 CarbonylContact C-O 3.56Å; S2-G173 WeakPolarHBondContact CA-O 3.39Å; S2-G173 VanDerWaalsContact CB-O 3.31Å; S2-G173 WeakPolarHBondContact CB-O 3.45Å; S2-T174 PolarHBondContact OG-OG1 3.36Å
3V92.4Very high86.9Confident3 Ų333 Ų332%0.01814%0.141CC..EExtended strand (participates in β ladder)trans-103.9129.1178.1175.50000108.1A5 Y25 C109 L110 L135 G173 P175V3-A5 WeakPolarHBondContact CG1-O 3.48Å; V3-Y25 WeakPolarHBondContact O-CD2 3.36Å; V3-C109 HydrophobicContact CG1-CB 3.72Å; V3-L110 CarbonylContact C-O 3.52Å; V3-L110 WeakPolarHBondContact CA-O 3.08Å; V3-L135 HydrophobicContact CG2-CD2 4.22Å; V3-G173 PolarHBondContact N-O 3.4Å; V3-P175 HydrophobicContact CG2-CG 3.98Å
4R94.4Very high84.6Confident21 Ų2136.4 Ų36.48%0.07919%0.19CC..EExtended strand (participates in β ladder)trans-73.4-43.1177.8-63174.759.3-170.2-0.5111.1Y25 V28 E29 A32 V41 V43 L110 V112R4-Y25 PolarHBondContact O-N 2.89Å; R4-V28 HydrophobicContact CG-CG1 3.99Å; R4-E29 IonicContact CZ-OE1 2.68Å; R4-E29 IonicContact CZ-OE2 2.65Å; R4-E29 VanDerWaalsContact CZ-OE2 3.3Å; R4-E29 IonicContact NE-OE1 3.82Å; R4-E29 IonicContact NE-OE2 3.67Å; R4-E29 PolarHBondContact NE-OE2 3.19Å; R4-E29 IonicContact NH2-OE1 3.91Å; R4-E29 PolarHBondContact NH2-OE1 3.37Å; R4-E29 IonicContact NH2-OE2 2.82Å; R4-E29 PolarHBondContact NH2-OE2 2.81Å; R4-A32 HydrophobicContact CG-CB 4.42Å; R4-V41 PolarHBondContact NH1-O 2.95Å; R4-V41 PolarHBondContact NH2-O 2.97Å; R4-V43 HydrophobicContact CB-CG2 4.45Å; R4-L110 HydrophobicContact CB-CB 4.38Å; R4-L110 HydrophobicContact CB-CD2 4.07Å; R4-L110 HydrophobicContact CB-CG 4.23Å; R4-L110 PolarHBondContact N-O 3.44Å; R4-V112 HydrophobicContact CG-CG2 3.43Å; R4-V112 VanDerWaalsContact CG-CG2 3.43Å
5A95.9Very high83.2Confident0 Ų040.5 Ų40.50%021%0.208CC..EExtended strand (participates in β ladder)trans-156.1156.5-178.700000112.5V3 W7 R23 R24 V43 C109 L110V3-A5 WeakPolarHBondContact CG1-O 3.48Å; A5-W7 HydrophobicContact CB-CE3 4.45Å; A5-W7 HydrophobicContact CB-CH2 3.28Å; A5-W7 HydrophobicContact CB-CZ2 3.6Å; A5-W7 HydrophobicContact CB-CZ3 3.73Å; A5-R23 CarbonylContact C-O 3.58Å; A5-R23 WeakPolarHBondContact CA-O 3.4Å; A5-R24 HydrophobicContact CB-CG 4.11Å; A5-V43 HydrophobicContact CB-CG1 4.25Å; A5-C109 CarbonylContact O-C 3.6Å; A5-C109 VanDerWaalsContact O-CA 3.28Å; A5-C109 WeakPolarHBondContact O-CA 3.49Å; A5-L110 PolarHBondContact O-N 3.3Å
6L95.9Very high82.4Confident1 Ų144 Ų441%0.00524%0.237CC..EExtended strand (participates in β ladder)trans-134.4140.8-178.2177.379.7000109.3F21 S22 R23 A108 C109 L136 L139 L166L6-F21 HydrophobicContact CD2-CE1 4.29Å; L6-S22 CarbonylContact O-C 3.06Å; L6-S22 VanDerWaalsContact O-CA 3.29Å; L6-S22 WeakPolarHBondContact O-CA 3.46Å; L6-R23 HydrophobicContact CB-CB 4.49Å; L6-R23 PolarHBondContact N-O 2.88Å; L6-R23 PolarHBondContact O-N 3.47Å; L6-A108 CarbonylContact C-O 3.6Å; L6-A108 WeakPolarHBondContact CA-O 3.5Å; L6-C109 HydrophobicContact CD1-CB 3.77Å; L6-L136 HydrophobicContact CD1-CD2 3.59Å; L6-L139 HydrophobicContact CD1-CD1 3.88Å; L6-L139 HydrophobicContact CD2-CD1 3.75Å; L6-L139 HydrophobicContact CG-CD1 4.45Å; L6-L166 HydrophobicContact CD2-CD1 3.68Å; L6-L166 HydrophobicContact CD2-CD2 3.8Å; L6-L166 HydrophobicContact CD2-CG 4.39Å
7W96.4Very high82.6Confident3 Ų343.9 Ų43.91%0.01124%0.239CC..EExtended strand (participates in β ladder)trans-134142.8176.5-60.4-92.3000111.4A5 I9 F21 V43 D46 V49 M97 A108 L110A5-W7 HydrophobicContact CB-CE3 4.45Å; A5-W7 HydrophobicContact CB-CH2 3.28Å; A5-W7 HydrophobicContact CB-CZ2 3.6Å; A5-W7 HydrophobicContact CB-CZ3 3.73Å; W7-I9 HydrophobicContact CB-CD1 4.43Å; W7-I9 HydrophobicContact CB-CG1 4.48Å; W7-F21 CarbonylContact C-O 3.57Å; W7-F21 WeakPolarHBondContact CA-O 3.47Å; W7-V43 HydrophobicContact CH2-CG1 3.84Å; W7-V43 HydrophobicContact CZ2-CG1 3.67Å; W7-D46 PolarHBondContact NE1-OD1 2.8Å; W7-V49 HydrophobicContact CD2-CG1 4.15Å; W7-V49 HydrophobicContact CE3-CG1 4.48Å; W7-V49 HydrophobicContact CH2-CG1 4.21Å; W7-V49 HydrophobicContact CZ2-CB 4.34Å; W7-V49 HydrophobicContact CZ2-CG1 3.9Å; W7-V49 HydrophobicContact CZ2-CG2 3.93Å; W7-M97 HydrophobicContact CE3-CE 4.04Å; W7-M97 HydrophobicContact CE3-SD 4.47Å; W7-M97 HydrophobicContact CZ3-CE 3.71Å; W7-M97 HydrophobicContact CZ3-SD 4.05Å; W7-A108 HydrophobicContact CE3-CB 4.47Å; W7-A108 PolarHBondContact N-O 3.17Å; W7-A108 PolarHBondContact O-N 3.26Å; W7-L110 HydrophobicContact CH2-CB 4.23Å; W7-L110 HydrophobicContact CZ3-CB 3.95Å
8I94.3Very high82.9Confident0 Ų043.2 Ų43.20%024%0.24CC..EExtended strand (participates in β ladder)trans-122.7120.8167.9-55.5167.4000106.9R20 F21 L105 L107 L143 L159 M162I8-R20 PolarHBondContact O-N 2.74Å; I8-F21 HydrophobicContact CB-CB 4.09Å; I8-F21 HydrophobicContact CD1-CB 3.97Å; I8-F21 HydrophobicContact CD1-CD1 3.94Å; I8-F21 HydrophobicContact CD1-CG 4.19Å; I8-F21 HydrophobicContact CG1-CB 4.3Å; I8-F21 HydrophobicContact CG1-CD1 4.35Å; I8-F21 PolarHBondContact N-O 2.87Å; I8-F21 PolarHBondContact O-N 3.19Å; I8-L105 HydrophobicContact CG2-CD2 4.37Å; I8-L107 HydrophobicContact CG1-CG 4.34Å; I8-L107 HydrophobicContact CG2-CG 4.49Å; I8-L143 HydrophobicContact CD1-CD1 3.73Å; I8-L143 HydrophobicContact CG1-CD1 4.29Å; I8-L143 HydrophobicContact CG2-CD1 4.04Å; I8-L159 HydrophobicContact CD1-CD2 3.99Å; I8-L159 HydrophobicContact CG2-CD2 4.15Å; I8-M162 HydrophobicContact CD1-CG 4.09Å; I8-M162 HydrophobicContact CD1-SD 3.88Å
9I92.8Very high83.4Confident1 Ų143.3 Ų43.31%0.00524%0.241CC..EExtended strand (participates in β ladder)trans-121.3133.3-172.8-62159.9000108.2W7 V17 A18 V19 L50 L53 L105 I106W7-I9 HydrophobicContact CB-CD1 4.43Å; W7-I9 HydrophobicContact CB-CG1 4.48Å; I9-V17 HydrophobicContact CG2-CG1 3.73Å; I9-A18 WeakPolarHBondContact CA-O 3.19Å; I9-V19 HydrophobicContact CG1-CG2 4.2Å; I9-L50 HydrophobicContact CD1-CD1 3.78Å; I9-L50 HydrophobicContact CG1-CD1 4.1Å; I9-L50 HydrophobicContact CG2-CD1 3.66Å; I9-L53 HydrophobicContact CD1-CD2 3.46Å; I9-L53 VanDerWaalsContact CD1-CD2 3.46Å; I9-L105 WeakPolarHBondContact O-CA 3.2Å; I9-I106 HydrophobicContact CB-CB 4.2Å; I9-I106 PolarHBondContact N-O 2.82Å; I9-I106 PolarHBondContact O-N 3.32Å
10S89Confident83.9Confident13 Ų1347.8 Ų47.89%0.09125%0.254CS..EExtended strand (participates in β ladder)trans-90.5129168.862.70000110V17 A18 R20 P104S10-V17 WeakPolarHBondContact O-CG1 3.38Å; S10-A18 PolarHBondContact N-O 3.33Å; S10-A18 PolarHBondContact O-N 3.25Å; S10-A18 PolarHBondContact OG-O 3.09Å; S10-R20 PolarHBondContact OG-NE 2.61Å; S10-R20 PolarHBondContact OG-NH2 2.88Å; S10-R20 VanDerWaalsContact OG-NH2 3.17Å; S10-P104 CarbonylContact C-O 3.12Å; S10-P104 WeakPolarHBondContact CA-O 3.4Å
11Y82.8Confident84.4Confident35 Ų3546.9 Ų46.914%0.13725%0.248CC..  trans-132.899.1176.8-178.8-97.2000109.1R13 V17 L54 L59 P104 I106Y11-R13 HydrophobicContact CE1-CG 4.41Å; Y11-V17 HydrophobicContact CD2-CB 4.42Å; Y11-V17 HydrophobicContact CD2-CG1 4.07Å; Y11-V17 HydrophobicContact CD2-CG2 3.48Å; Y11-V17 VanDerWaalsContact CD2-CG2 3.48Å; Y11-V17 HydrophobicContact CE2-CG2 3.81Å; Y11-L54 HydrophobicContact CD2-CD2 4.26Å; Y11-L59 HydrophobicContact CD1-CD1 4.26Å; Y11-L59 HydrophobicContact CD2-CD1 4.28Å; Y11-L59 HydrophobicContact CE1-CD1 4.09Å; Y11-L59 HydrophobicContact CE1-CD2 4.05Å; Y11-L59 HydrophobicContact CE2-CB 3.91Å; Y11-L59 HydrophobicContact CE2-CD1 4.14Å; Y11-L59 HydrophobicContact CE2-CG 4.42Å; Y11-L59 HydrophobicContact CG-CD1 4.36Å; Y11-P104 PolarHBondContact N-O 2.65Å; Y11-P104 CarbonylContact O-C 3.57Å; Y11-P104 VanDerWaalsContact O-CA 3.28Å; Y11-P104 WeakPolarHBondContact O-CA 3.35Å; Y11-I106 HydrophobicContact CG-CD1 4.08Å
12E73.9Confident85.5Confident62 Ų6246 Ų4629%0.2925%0.248SC..  trans-108.9129170.2-75.3-175.7-177.300108.2G14 E15 P104 R152E12-G14 PolarHBondContact O-N 3.37Å; E12-G14 VanDerWaalsContact O-N 3.07Å; E12-E15 HydrophobicContact CB-CB 4.06Å; E12-E15 HydrophobicContact CB-CG 4.17Å; E12-E15 PolarHBondContact O-N 2.91Å; E12-E15 VanDerWaalsContact OE2-CD 3.31Å; E12-P104 HydrophobicContact CG-CB 3.54Å; E12-R152 IonicContact OE1-NH1 3.07Å; E12-R152 PolarHBondContact OE1-NH1 3.38Å; E12-R152 IonicContact OE2-NH1 2.89Å; E12-R152 PolarHBondContact OE2-NH1 2.81Å
13R62.2Low85.8Confident218 Ų21850.7 Ų50.782%0.82326%0.264SS*.THydrogen-bonded Turntrans-58.3116.6179.3-78.7-173.2-177.2-173.7-0.7109.2Y11Y11-R13 HydrophobicContact CE1-CG 4.41Å
14G55.8Low86Confident80 Ų8055.6 Ų55.683%0.82528%0.283SS*.THydrogen-bonded Turntrans92-2.6-179.600000115.7E12E12-G14 PolarHBondContact O-N 3.37Å; E12-G14 VanDerWaalsContact O-N 3.07Å
15E63.6Low86Confident98 Ų9855 Ų5546%0.45828%0.28SS..SBendtrans-105.4167.4168.8-66.1-161.6162.800111.7E12 V17E12-E15 HydrophobicContact CB-CB 4.06Å; E12-E15 HydrophobicContact CB-CG 4.17Å; E12-E15 PolarHBondContact O-N 2.91Å; E12-E15 VanDerWaalsContact OE2-CD 3.31Å; E15-V17 PolarHBondContact O-N 2.73Å
16S69.9Low85.9Confident97 Ų9759.8 Ų59.868%0.67831%0.312SS*.  trans-67.2122.8175.861.20000111.6
17V84.8Confident85.6Confident43 Ų4363.2 Ų63.226%0.26133%0.333SS..  trans-69131.1172.1-167.60000109.8I9 S10 Y11 E15 L50 L54I9-V17 HydrophobicContact CG2-CG1 3.73Å; S10-V17 WeakPolarHBondContact O-CG1 3.38Å; Y11-V17 HydrophobicContact CD2-CB 4.42Å; Y11-V17 HydrophobicContact CD2-CG1 4.07Å; Y11-V17 HydrophobicContact CD2-CG2 3.48Å; Y11-V17 VanDerWaalsContact CD2-CG2 3.48Å; Y11-V17 HydrophobicContact CE2-CG2 3.81Å; E15-V17 PolarHBondContact O-N 2.73Å; V17-L50 HydrophobicContact CG1-CD1 3.95Å; V17-L54 HydrophobicContact CB-CD1 4.18Å; V17-L54 HydrophobicContact CG1-CD1 3.91Å; V17-L54 HydrophobicContact CG1-CD2 4.03Å; V17-L54 HydrophobicContact CG1-CG 4.5Å; V17-L54 HydrophobicContact CG2-CD1 4.35Å
18A89.3Confident85.4Confident31 Ų3163.3 Ų63.326%0.25633%0.334SS..EExtended strand (participates in β ladder)trans-146.9141.8-176.800000112.9I9 S10 R20I9-A18 WeakPolarHBondContact CA-O 3.19Å; S10-A18 PolarHBondContact N-O 3.33Å; S10-A18 PolarHBondContact O-N 3.25Å; S10-A18 PolarHBondContact OG-O 3.09Å; A18-R20 PolarHBondContact O-N 2.78Å
19V92.8Very high85.4Confident44 Ų4464.9 Ų64.927%0.26734%0.341SS..EExtended strand (participates in β ladder)trans-70.8115.5167.1-178.10000108.1I9 D46 L50I9-V19 HydrophobicContact CG1-CG2 4.2Å; V19-D46 HydrophobicContact CG2-CB 4.38Å; V19-L50 HydrophobicContact CG2-CB 4.16Å; V19-L50 HydrophobicContact CG2-CD1 4.45Å; V19-L50 HydrophobicContact CG2-CD2 4.21Å
20R92.4Very high85.3Confident134 Ų13471.4 Ų71.451%0.50637%0.371SS..EExtended strand (participates in β ladder)trans-88.5-29178.7-62.8-61.6-178.4143.81.6112.5I8 S10 A18 L159I8-R20 PolarHBondContact O-N 2.74Å; S10-R20 PolarHBondContact OG-NE 2.61Å; S10-R20 PolarHBondContact OG-NH2 2.88Å; S10-R20 VanDerWaalsContact OG-NH2 3.17Å; A18-R20 PolarHBondContact O-N 2.78Å; R20-L159 HydrophobicContact CB-CD1 4.17Å
21F94.1Very high85.3Confident29 Ų2975.6 Ų75.613%0.12739%0.385CS..EExtended strand (participates in β ladder)trans-154.4139.1178.5179.7-90.1000109.8L6 W7 I8 R23 L159 M162 P163 L166L6-F21 HydrophobicContact CD2-CE1 4.29Å; W7-F21 CarbonylContact C-O 3.57Å; W7-F21 WeakPolarHBondContact CA-O 3.47Å; I8-F21 HydrophobicContact CB-CB 4.09Å; I8-F21 HydrophobicContact CD1-CB 3.97Å; I8-F21 HydrophobicContact CD1-CD1 3.94Å; I8-F21 HydrophobicContact CD1-CG 4.19Å; I8-F21 HydrophobicContact CG1-CB 4.3Å; I8-F21 HydrophobicContact CG1-CD1 4.35Å; I8-F21 PolarHBondContact N-O 2.87Å; I8-F21 PolarHBondContact O-N 3.19Å; F21-R23 HydrophobicContact CE1-CB 3.76Å; F21-R23 HydrophobicContact CZ-CB 4.05Å; F21-L159 HydrophobicContact CB-CD2 4.44Å; F21-M162 HydrophobicContact CD2-CB 3.87Å; F21-M162 HydrophobicContact CE1-CB 4.4Å; F21-M162 HydrophobicContact CE2-CB 3.7Å; F21-M162 HydrophobicContact CG-CB 4.3Å; F21-M162 HydrophobicContact CZ-CB 3.99Å; F21-P163 HydrophobicContact CE2-CG 4.09Å; F21-L166 HydrophobicContact CE1-CD1 3.38Å; F21-L166 HydrophobicContact CZ-CD1 3.52Å
22S95.4Very high85.7Confident44 Ų4474.4 Ų74.431%0.30838%0.382SS..EExtended strand (participates in β ladder)trans-138146.617065.60000110.7L6 D46L6-S22 CarbonylContact O-C 3.06Å; L6-S22 VanDerWaalsContact O-CA 3.29Å; L6-S22 WeakPolarHBondContact O-CA 3.46Å; S22-D46 VanDerWaalsContact CB-OD2 3.23Å; S22-D46 WeakPolarHBondContact CB-OD2 3.39Å; S22-D46 PolarHBondContact OG-OD2 2.91Å
23R94.9Very high86.5Confident108 Ų10877.3 Ų77.341%0.40839%0.394SS..EExtended strand (participates in β ladder)trans-140.4124.4175.1-176.868.5179.4-1650.1109.4A5 L6 F21 Y25 L166A5-R23 CarbonylContact C-O 3.58Å; A5-R23 WeakPolarHBondContact CA-O 3.4Å; L6-R23 HydrophobicContact CB-CB 4.49Å; L6-R23 PolarHBondContact N-O 2.88Å; L6-R23 PolarHBondContact O-N 3.47Å; F21-R23 HydrophobicContact CE1-CB 3.76Å; F21-R23 HydrophobicContact CZ-CB 4.05Å; R23-Y25 HydrophobicContact CG-CE1 3.97Å; R23-Y25 HydrophobicContact CG-CE2 4.01Å; R23-L166 HydrophobicContact CB-CD1 4.2Å; R23-L166 HydrophobicContact CG-CD1 4.34Å
24R95.4Very high87.7Confident106 Ų10671.8 Ų71.840%0.439%0.388SS..EExtended strand (participates in β ladder)trans-105.5146.1170.8-58.8-176.8-171.6140.27.9109.5A5 P26 P44 D46A5-R24 HydrophobicContact CB-CG 4.11Å; R24-P26 WeakPolarHBondContact O-CD 3.5Å; R24-P44 PolarHBondContact NH2-O 2.85Å; R24-D46 IonicContact CZ-OD1 2.68Å; R24-D46 IonicContact NE-OD1 3.49Å; R24-D46 IonicContact NH2-OD1 3.92Å; R24-D46 PolarHBondContact NH2-OD1 2.89Å; R24-D46 IonicContact NH2-OD2 2.98Å
25Y94.8Very high89.2Confident8 Ų872.3 Ų72.33%0.03137%0.369CS..  trans-114.693.6-179.8-63.9-78.2000110V3 R4 R23 T27 V28 E29 C170 G173V3-Y25 WeakPolarHBondContact O-CD2 3.36Å; R4-Y25 PolarHBondContact O-N 2.89Å; R23-Y25 HydrophobicContact CG-CE1 3.97Å; R23-Y25 HydrophobicContact CG-CE2 4.01Å; Y25-T27 PolarHBondContact O-N 3.41Å; Y25-V28 PolarHBondContact O-N 3.47Å; Y25-E29 PolarHBondContact O-N 3.36Å; Y25-C170 WeakPolarHBondContact CE1-O 3.48Å; Y25-G173 VanDerWaalsContact CG-CA 3.4Å
26P92.9Very high90.1Very high101 Ų10169.6 Ų69.666%0.65636%0.364SS*.Hα-helixtrans-57.7-34.8-174.4-26.835.2000114R24 V28 E29 Q30R24-P26 WeakPolarHBondContact O-CD 3.5Å; P26-V28 VanDerWaalsContact C-N 3.34Å; P26-V28 PolarHBondContact O-N 2.66Å; P26-E29 PolarHBondContact O-N 2.91Å; P26-Q30 WeakPolarHBondContact O-CB 3.44Å; P26-Q30 PolarHBondContact O-N 3.05Å
27T90.5Very high90.9Very high73 Ų7367.3 Ų67.345%0.44836%0.355SS..Hα-helixtrans-61.9-42.6176.846.10000112Y25 R31 L172Y25-T27 PolarHBondContact O-N 3.41Å; T27-R31 PolarHBondContact O-N 3.5Å; T27-L172 PolarHBondContact OG1-O 3.01Å
28V92.7Very high90.7Very high5 Ų571.1 Ų71.13%0.0338%0.384CS..Hα-helixtrans-74-37.4178.7-174.30000110.5R4 Y25 P26 R31 A32 V112 L172R4-V28 HydrophobicContact CG-CG1 3.99Å; Y25-V28 PolarHBondContact O-N 3.47Å; P26-V28 VanDerWaalsContact C-N 3.34Å; P26-V28 PolarHBondContact O-N 2.66Å; V28-R31 PolarHBondContact O-N 3.35Å; V28-A32 WeakPolarHBondContact O-CB 3.38Å; V28-A32 PolarHBondContact O-N 3.3Å; V28-V112 HydrophobicContact CG1-CG2 3.26Å; V28-L172 WeakPolarHBondContact CG2-O 3.48Å
29E93.2Very high90.5Very high33 Ų3375 Ų7515%0.15440%0.4CS..Hα-helixtrans-62.6-43.4176.2-170.464.5-172.900112R4 Y25 P26 A32 K33 Y40 V43R4-E29 IonicContact CZ-OE1 2.68Å; R4-E29 IonicContact CZ-OE2 2.65Å; R4-E29 VanDerWaalsContact CZ-OE2 3.3Å; R4-E29 IonicContact NE-OE1 3.82Å; R4-E29 IonicContact NE-OE2 3.67Å; R4-E29 PolarHBondContact NE-OE2 3.19Å; R4-E29 IonicContact NH2-OE1 3.91Å; R4-E29 PolarHBondContact NH2-OE1 3.37Å; R4-E29 IonicContact NH2-OE2 2.82Å; R4-E29 PolarHBondContact NH2-OE2 2.81Å; Y25-E29 PolarHBondContact O-N 3.36Å; P26-E29 PolarHBondContact O-N 2.91Å; E29-A32 PolarHBondContact O-N 2.87Å; E29-K33 PolarHBondContact O-N 3.4Å; E29-Y40 PolarHBondContact OE1-OH 3Å; E29-V43 PolarHBondContact OE1-N 2.96Å; E29-V43 WeakPolarHBondContact OE2-CG2 3.37Å
30Q91Very high90.3Very high137 Ų13775.5 Ų75.564%0.6440%0.397SS*.Hα-helixtrans-62.7-43.2174.7-174.4176.6600111.5P26 K33 C34P26-Q30 WeakPolarHBondContact O-CB 3.44Å; P26-Q30 PolarHBondContact O-N 3.05Å; Q30-K33 PolarHBondContact O-N 2.9Å; Q30-C34 PolarHBondContact O-N 3.12Å; Q30-C34 PolarHBondContact O-SG 3.06Å
31R89.9Confident90.2Very high102 Ų10269.8 Ų69.839%0.38538%0.378SS..Hα-helixtrans-60.6-46.5174.9177.1178.4167.5178.6-4.6111.4T27 V28 K33 C34 M35 D114T27-R31 PolarHBondContact O-N 3.5Å; V28-R31 PolarHBondContact O-N 3.35Å; R31-K33 VanDerWaalsContact C-N 3.28Å; R31-K33 PolarHBondContact O-N 3.32Å; R31-C34 PolarHBondContact O-N 3.01Å; R31-C34 VanDerWaalsContact O-N 3.16Å; R31-M35 HydrophobicContact CG-CG 4.36Å; R31-M35 HydrophobicContact CG-SD 3.76Å; R31-M35 VanDerWaalsContact O-CG 3.3Å; R31-M35 WeakPolarHBondContact O-CG 3.46Å; R31-M35 PolarHBondContact O-N 3.07Å; R31-D114 IonicContact CZ-OD1 3.99Å; R31-D114 IonicContact CZ-OD2 4Å; R31-D114 IonicContact NE-OD1 2.75Å; R31-D114 IonicContact NH2-OD1 2.79Å; R31-D114 PolarHBondContact NH2-OD1 3.32Å; R31-D114 IonicContact NH2-OD2 3.9Å; R31-D114 PolarHBondContact NH2-OD2 2.97Å
32A89.7Confident90Very high9 Ų970.8 Ų70.87%0.07439%0.388CS..Hα-helixtrans-58.8-41.4177.600000111.5R4 V28 E29 M35 A36 V112R4-A32 HydrophobicContact CG-CB 4.42Å; V28-A32 WeakPolarHBondContact O-CB 3.38Å; V28-A32 PolarHBondContact O-N 3.3Å; E29-A32 PolarHBondContact O-N 2.87Å; A32-M35 PolarHBondContact O-N 3.33Å; A32-A36 WeakPolarHBondContact O-CB 3.47Å; A32-A36 PolarHBondContact O-N 3.49Å; A32-V112 HydrophobicContact CB-CG2 4.41Å
33K90.8Very high89.9Confident124 Ų12469.7 Ų69.754%0.53938%0.38SS..Hα-helixtrans-61.8-44.6174.3-174174-178.71770112.8E29 Q30 R31 M35 G37 Y40E29-K33 PolarHBondContact O-N 3.4Å; Q30-K33 PolarHBondContact O-N 2.9Å; R31-K33 VanDerWaalsContact C-N 3.28Å; R31-K33 PolarHBondContact O-N 3.32Å; K33-M35 VanDerWaalsContact C-N 3.3Å; K33-M35 PolarHBondContact O-N 3.11Å; K33-G37 PolarHBondContact O-N 2.74Å; K33-G37 VanDerWaalsContact O-N 3.12Å; K33-Y40 VanDerWaalsContact CA-CD2 3.41Å; K33-Y40 HydrophobicContact CB-CD1 4.23Å; K33-Y40 HydrophobicContact CB-CD2 3.77Å; K33-Y40 HydrophobicContact CB-CE1 4.21Å; K33-Y40 HydrophobicContact CB-CE2 3.76Å; K33-Y40 HydrophobicContact CB-CG 3.99Å; K33-Y40 HydrophobicContact CD-CD1 4.18Å; K33-Y40 HydrophobicContact CD-CE1 3.94Å; K33-Y40 HydrophobicContact CG-CD1 3.8Å; K33-Y40 HydrophobicContact CG-CD2 4.21Å; K33-Y40 HydrophobicContact CG-CE1 3.97Å; K33-Y40 HydrophobicContact CG-CE2 4.38Å; K33-Y40 HydrophobicContact CG-CG 3.89Å
34C88.6Confident89.8Confident102 Ų10265.5 Ų65.569%0.68937%0.366SS*.Hα-helixtrans-63.9-36.4177-67.30000112.5Q30 R31Q30-C34 PolarHBondContact O-N 3.12Å; Q30-C34 PolarHBondContact O-SG 3.06Å; R31-C34 PolarHBondContact O-N 3.01Å; R31-C34 VanDerWaalsContact O-N 3.16Å
35M85.5Confident89.6Confident90 Ų9067.6 Ų67.644%0.44338%0.381SS..Hα-helixtrans-77.5-44-178.1-69.4178.462.300112.9R31 A32 K33 D114R31-M35 HydrophobicContact CG-CG 4.36Å; R31-M35 HydrophobicContact CG-SD 3.76Å; R31-M35 VanDerWaalsContact O-CG 3.3Å; R31-M35 WeakPolarHBondContact O-CG 3.46Å; R31-M35 PolarHBondContact O-N 3.07Å; A32-M35 PolarHBondContact O-N 3.33Å; K33-M35 VanDerWaalsContact C-N 3.3Å; K33-M35 PolarHBondContact O-N 3.11Å; M35-D114 HydrophobicContact CE-CB 4.34Å; M35-D114 WeakPolarHBondContact CE-OD1 3.43Å
36A84.1Confident89.6Confident42 Ų4269 Ų6935%0.34739%0.389SS..Hα-helixtrans-82.1-17.5-175.800000113.4A32 S38 L39A32-A36 WeakPolarHBondContact O-CB 3.47Å; A32-A36 PolarHBondContact O-N 3.49Å; A36-S38 PolarHBondContact O-N 2.81Å; A36-L39 WeakPolarHBondContact O-CB 3.32Å; A36-L39 PolarHBondContact O-N 2.96Å
37G85.1Confident89.5Confident48 Ų4866.7 Ų66.750%0.49538%0.383SS..G310 helixtrans56.2-120.8176.600000112.2K33 L39 Y40K33-G37 PolarHBondContact O-N 2.74Å; K33-G37 VanDerWaalsContact O-N 3.12Å; G37-L39 VanDerWaalsContact C-N 3.27Å; G37-L39 PolarHBondContact O-N 2.92Å; G37-Y40 VanDerWaalsContact O-CB 3.31Å; G37-Y40 WeakPolarHBondContact O-CB 3.25Å; G37-Y40 PolarHBondContact O-N 2.99Å
38S82.5Confident89.5Confident124 Ų12466.1 Ų66.187%0.86738%0.38SS*.G310 helixtrans-71.3-17.7178550000114.4A36 Y40A36-S38 PolarHBondContact O-N 2.81Å; S38-Y40 VanDerWaalsContact C-N 3.29Å
39L84.2Confident89.5Confident112 Ų11265.9 Ų65.959%0.58638%0.378SS*.G310 helixtrans-89.76177.3-59.7174.1000112.3A36 G37 V41 A117A36-L39 WeakPolarHBondContact O-CB 3.32Å; A36-L39 PolarHBondContact O-N 2.96Å; G37-L39 VanDerWaalsContact C-N 3.27Å; G37-L39 PolarHBondContact O-N 2.92Å; L39-V41 PolarHBondContact O-N 2.85Å; L39-A117 HydrophobicContact CD1-CB 4.06Å
40Y88.4Confident89.5Confident54 Ų5465.5 Ų65.521%0.21238%0.377CS..  trans-68.6129.1-179.5168.5-105.4000112E29 K33 G37 S38 S42E29-Y40 PolarHBondContact OE1-OH 3Å; K33-Y40 VanDerWaalsContact CA-CD2 3.41Å; K33-Y40 HydrophobicContact CB-CD1 4.23Å; K33-Y40 HydrophobicContact CB-CD2 3.77Å; K33-Y40 HydrophobicContact CB-CE1 4.21Å; K33-Y40 HydrophobicContact CB-CE2 3.76Å; K33-Y40 HydrophobicContact CB-CG 3.99Å; K33-Y40 HydrophobicContact CD-CD1 4.18Å; K33-Y40 HydrophobicContact CD-CE1 3.94Å; K33-Y40 HydrophobicContact CG-CD1 3.8Å; K33-Y40 HydrophobicContact CG-CD2 4.21Å; K33-Y40 HydrophobicContact CG-CE1 3.97Å; K33-Y40 HydrophobicContact CG-CE2 4.38Å; K33-Y40 HydrophobicContact CG-CG 3.89Å; G37-Y40 VanDerWaalsContact O-CB 3.31Å; G37-Y40 WeakPolarHBondContact O-CB 3.25Å; G37-Y40 PolarHBondContact O-N 2.99Å; S38-Y40 VanDerWaalsContact C-N 3.29Å; Y40-S42 WeakPolarHBondContact OH-CA 3.48Å
41V89.9Confident89.5Confident15 Ų1565.2 Ų65.29%0.09138%0.376CS..  trans-114.2121.1172.6-174.80000108.5R4 L39 V86 L94R4-V41 PolarHBondContact NH1-O 2.95Å; R4-V41 PolarHBondContact NH2-O 2.97Å; L39-V41 PolarHBondContact O-N 2.85Å; V41-V86 HydrophobicContact CG1-CG2 4.33Å; V41-L94 HydrophobicContact CB-CD2 4.04Å; V41-L94 HydrophobicContact CG1-CD2 3.73Å; V41-L94 HydrophobicContact CG1-CG 4.18Å
42S90.8Very high89.5Confident50 Ų5062 Ų6235%0.3537%0.366SS..  trans-72146.4177.855.60000112.2Y40 P44Y40-S42 WeakPolarHBondContact OH-CA 3.48Å; S42-P44 VanDerWaalsContact O-CD 3.24Å; S42-P44 WeakPolarHBondContact O-CD 3.42Å
43V92.4Very high89.5Confident21 Ų2161.7 Ų61.713%0.12736%0.363CS..  trans-66.2120.4173.3-175.50000110.3R4 A5 W7 E29 L110R4-V43 HydrophobicContact CB-CG2 4.45Å; A5-V43 HydrophobicContact CB-CG1 4.25Å; W7-V43 HydrophobicContact CH2-CG1 3.84Å; W7-V43 HydrophobicContact CZ2-CG1 3.67Å; E29-V43 PolarHBondContact OE1-N 2.96Å; E29-V43 WeakPolarHBondContact OE2-CG2 3.37Å; V43-L110 HydrophobicContact CG2-CD2 3.71Å
44P92.4Very high89.4Confident20 Ų2056.6 Ų56.613%0.1334%0.342CS..  trans-67.4178.6178.1-21.633.9000113.7R24 S42 T48 V49 V86 L94R24-P44 PolarHBondContact NH2-O 2.85Å; S42-P44 VanDerWaalsContact O-CD 3.24Å; S42-P44 WeakPolarHBondContact O-CD 3.42Å; P44-T48 HydrophobicContact CB-CG2 3.98Å; P44-V49 HydrophobicContact CB-CG2 4.19Å; P44-V49 HydrophobicContact CG-CG2 4.42Å; P44-V86 HydrophobicContact CG-CB 4.49Å; P44-V86 HydrophobicContact CG-CG1 3.81Å; P44-V86 HydrophobicContact CG-CG2 3.77Å; P44-L94 HydrophobicContact CG-CD1 4.21Å
45E92.4Very high89.3Confident149 Ų14954.9 Ų54.970%0.69633%0.328SS*.  trans-65.9155.5170.6-64.4-169169.700112.2G47 T48 V49E45-G47 VanDerWaalsContact C-N 3.26Å; E45-G47 PolarHBondContact O-N 2.84Å; E45-T48 WeakPolarHBondContact O-CB 3.09Å; E45-T48 PolarHBondContact O-N 3.06Å; E45-V49 PolarHBondContact O-N 2.79Å
46D93.7Very high89.3Confident39 Ų3952.9 Ų52.921%0.20932%0.318CS..Hα-helixtrans-62.9-32.8-171.9-70.9-15.5000112.5W7 V19 S22 R24 V49 L50W7-D46 PolarHBondContact NE1-OD1 2.8Å; V19-D46 HydrophobicContact CG2-CB 4.38Å; S22-D46 VanDerWaalsContact CB-OD2 3.23Å; S22-D46 WeakPolarHBondContact CB-OD2 3.39Å; S22-D46 PolarHBondContact OG-OD2 2.91Å; R24-D46 IonicContact CZ-OD1 2.68Å; R24-D46 IonicContact NE-OD1 3.49Å; R24-D46 IonicContact NH2-OD1 3.92Å; R24-D46 PolarHBondContact NH2-OD1 2.89Å; R24-D46 IonicContact NH2-OD2 2.98Å; D46-V49 PolarHBondContact O-N 3.07Å; D46-L50 VanDerWaalsContact O-CB 3.27Å; D46-L50 WeakPolarHBondContact O-CB 3.41Å; D46-L50 PolarHBondContact O-N 2.84Å
47G91.1Very high89.2Confident52 Ų5252.5 Ų52.554%0.53631%0.31SS..Hα-helixtrans-64.5-40.517500000112.7E45 L50 Q51E45-G47 VanDerWaalsContact C-N 3.26Å; E45-G47 PolarHBondContact O-N 2.84Å; G47-L50 PolarHBondContact O-N 2.81Å; G47-Q51 PolarHBondContact O-N 3.04Å
48T91.8Very high88.9Confident60 Ų6050.2 Ų50.237%0.36829%0.286SS..Hα-helixtrans-68-45.2176.5-49.50000111P44 E45 L50 Q51 L52P44-T48 HydrophobicContact CB-CG2 3.98Å; E45-T48 WeakPolarHBondContact O-CB 3.09Å; E45-T48 PolarHBondContact O-N 3.06Å; T48-L50 VanDerWaalsContact C-N 3.31Å; T48-L50 PolarHBondContact O-N 3.45Å; T48-Q51 PolarHBondContact O-N 3.3Å; T48-L52 HydrophobicContact CG2-CD1 4.16Å; T48-L52 HydrophobicContact CG2-CG 4.5Å; T48-L52 WeakPolarHBondContact O-CG 3.44Å; T48-L52 PolarHBondContact O-N 3.44Å
49V92.6Very high88.8Confident1 Ų145.8 Ų45.81%0.00625%0.252CS..Hα-helixtrans-60.9-42.9176.4176.50000110.8W7 P44 E45 D46 L52 L53 L84W7-V49 HydrophobicContact CD2-CG1 4.15Å; W7-V49 HydrophobicContact CE3-CG1 4.48Å; W7-V49 HydrophobicContact CH2-CG1 4.21Å; W7-V49 HydrophobicContact CZ2-CB 4.34Å; W7-V49 HydrophobicContact CZ2-CG1 3.9Å; W7-V49 HydrophobicContact CZ2-CG2 3.93Å; P44-V49 HydrophobicContact CB-CG2 4.19Å; P44-V49 HydrophobicContact CG-CG2 4.42Å; E45-V49 PolarHBondContact O-N 2.79Å; D46-V49 PolarHBondContact O-N 3.07Å; V49-L52 PolarHBondContact O-N 3.39Å; V49-L53 WeakPolarHBondContact O-CB 3.05Å; V49-L53 PolarHBondContact O-N 3.23Å; V49-L84 HydrophobicContact CG1-CD1 4.36Å
50L92.5Very high88.3Confident25 Ų2542.9 Ų42.913%0.13124%0.242CC..Hα-helixtrans-58.7-49.7176.5177.463.5000111.2I9 V17 V19 D46 G47 T48 L53 L54I9-L50 HydrophobicContact CD1-CD1 3.78Å; I9-L50 HydrophobicContact CG1-CD1 4.1Å; I9-L50 HydrophobicContact CG2-CD1 3.66Å; V17-L50 HydrophobicContact CG1-CD1 3.95Å; V19-L50 HydrophobicContact CG2-CB 4.16Å; V19-L50 HydrophobicContact CG2-CD1 4.45Å; V19-L50 HydrophobicContact CG2-CD2 4.21Å; D46-L50 VanDerWaalsContact O-CB 3.27Å; D46-L50 WeakPolarHBondContact O-CB 3.41Å; D46-L50 PolarHBondContact O-N 2.84Å; G47-L50 PolarHBondContact O-N 2.81Å; T48-L50 VanDerWaalsContact C-N 3.31Å; T48-L50 PolarHBondContact O-N 3.45Å; L50-L53 PolarHBondContact O-N 3.14Å; L50-L54 HydrophobicContact CD1-CD1 3.95Å; L50-L54 HydrophobicContact CD1-CG 4.03Å; L50-L54 HydrophobicContact CG-CD1 3.98Å; L50-L54 HydrophobicContact CG-CG 4.42Å; L50-L54 VanDerWaalsContact O-CG 3.28Å; L50-L54 WeakPolarHBondContact O-CG 3.28Å; L50-L54 PolarHBondContact O-N 2.97Å
51Q90.6Very high87.5Confident130 Ų13043.6 Ų43.661%0.60725%0.249SC*.Hα-helixtrans-61.5-46.9-180-175.2-178.3-3.100111.8G47 T48 L53 L54 T55G47-Q51 PolarHBondContact O-N 3.04Å; T48-Q51 PolarHBondContact O-N 3.3Å; Q51-L53 VanDerWaalsContact C-N 3.32Å; Q51-L53 PolarHBondContact O-N 3.47Å; Q51-L54 PolarHBondContact O-N 3.01Å; Q51-T55 WeakPolarHBondContact O-CB 3.42Å; Q51-T55 PolarHBondContact O-N 2.95Å; Q51-T55 PolarHBondContact O-OG1 3.03Å
52L90.5Very high86.1Confident36 Ų3646.9 Ų46.919%0.18827%0.273CS..Hα-helixtrans-61.3-42.3177.8-68.5175.6000111.4T48 V49 T55 E56 L84 H85 V86T48-L52 HydrophobicContact CG2-CD1 4.16Å; T48-L52 HydrophobicContact CG2-CG 4.5Å; T48-L52 WeakPolarHBondContact O-CG 3.44Å; T48-L52 PolarHBondContact O-N 3.44Å; V49-L52 PolarHBondContact O-N 3.39Å; L52-T55 PolarHBondContact O-N 2.92Å; L52-E56 WeakPolarHBondContact O-CB 3.46Å; L52-E56 WeakPolarHBondContact O-CG 2.92Å; L52-E56 PolarHBondContact O-N 3.5Å; L52-L84 HydrophobicContact CB-CB 4.38Å; L52-L84 HydrophobicContact CB-CD1 4.39Å; L52-L84 HydrophobicContact CB-CD2 4.31Å; L52-L84 HydrophobicContact CD1-CB 4.36Å; L52-H85 WeakPolarHBondContact CD1-O 3.49Å; L52-H85 WeakPolarHBondContact CD2-O 3.09Å; L52-V86 HydrophobicContact CD1-CG2 4.12Å
53L90.2Very high84.6Confident1 Ų151.7 Ų51.71%0.00530%0.295CS..Hα-helixtrans-66.2-43.1179.1-176.965.7000112.1I9 V49 L50 Q51 T55 E56 L57 L82 M97 V99 I106 A108I9-L53 HydrophobicContact CD1-CD2 3.46Å; I9-L53 VanDerWaalsContact CD1-CD2 3.46Å; V49-L53 WeakPolarHBondContact O-CB 3.05Å; V49-L53 PolarHBondContact O-N 3.23Å; L50-L53 PolarHBondContact O-N 3.14Å; Q51-L53 VanDerWaalsContact C-N 3.32Å; Q51-L53 PolarHBondContact O-N 3.47Å; L53-T55 VanDerWaalsContact C-N 3.34Å; L53-E56 PolarHBondContact O-N 2.85Å; L53-L57 HydrophobicContact CD1-CD1 4.04Å; L53-L57 HydrophobicContact CD1-CG 4.25Å; L53-L57 HydrophobicContact CG-CD1 3.89Å; L53-L57 HydrophobicContact CG-CG 4.43Å; L53-L57 WeakPolarHBondContact O-CB 3.12Å; L53-L57 WeakPolarHBondContact O-CG 3.47Å; L53-L57 PolarHBondContact O-N 2.9Å; L53-L82 HydrophobicContact CD1-CD1 3.76Å; L53-M97 HydrophobicContact CD1-CG 4.41Å; L53-V99 HydrophobicContact CD1-CG1 4.3Å; L53-V99 HydrophobicContact CD1-CG2 3.55Å; L53-I106 HydrophobicContact CD2-CG2 4.09Å; L53-A108 HydrophobicContact CD2-CB 4.05Å
54L88.5Confident83.1Confident18 Ų1856 Ų569%0.09431%0.312CS..Hα-helixtrans-66.1-39.1176.5-67.6174.5000111.7Y11 V17 L50 Q51 L57 G58 L59 S60Y11-L54 HydrophobicContact CD2-CD2 4.26Å; V17-L54 HydrophobicContact CB-CD1 4.18Å; V17-L54 HydrophobicContact CG1-CD1 3.91Å; V17-L54 HydrophobicContact CG1-CD2 4.03Å; V17-L54 HydrophobicContact CG1-CG 4.5Å; V17-L54 HydrophobicContact CG2-CD1 4.35Å; L50-L54 HydrophobicContact CD1-CD1 3.95Å; L50-L54 HydrophobicContact CD1-CG 4.03Å; L50-L54 HydrophobicContact CG-CD1 3.98Å; L50-L54 HydrophobicContact CG-CG 4.42Å; L50-L54 VanDerWaalsContact O-CG 3.28Å; L50-L54 WeakPolarHBondContact O-CG 3.28Å; L50-L54 PolarHBondContact O-N 2.97Å; Q51-L54 PolarHBondContact O-N 3.01Å; L54-L57 CarbonylContact O-C 3.57Å; L54-L57 PolarHBondContact O-N 2.94Å; L54-G58 PolarHBondContact O-N 3.49Å; L54-L59 HydrophobicContact CB-CB 4.43Å; L54-L59 HydrophobicContact CD2-CB 3.84Å; L54-L59 HydrophobicContact CD2-CD1 4.21Å; L54-L59 PolarHBondContact O-N 3.43Å; L54-S60 PolarHBondContact O-N 2.78Å; L54-S60 PolarHBondContact O-OG 2.92Å
55T86.5Confident81.3Confident65 Ų6560.3 Ų60.340%0.39934%0.34SS..Hα-helixtrans-63.1-50176.7-66.30000109.8Q51 L52 L53 L57 G58 S60 L69Q51-T55 WeakPolarHBondContact O-CB 3.42Å; Q51-T55 PolarHBondContact O-N 2.95Å; Q51-T55 PolarHBondContact O-OG1 3.03Å; L52-T55 PolarHBondContact O-N 2.92Å; L53-T55 VanDerWaalsContact C-N 3.34Å; T55-L57 PolarHBondContact O-N 3.36Å; T55-G58 PolarHBondContact O-N 2.82Å; T55-G58 VanDerWaalsContact O-N 3.14Å; T55-S60 WeakPolarHBondContact CA-OG 3.28Å; T55-S60 PolarHBondContact N-OG 3.3Å; T55-S60 PolarHBondContact OG1-OG 3.48Å; T55-L69 WeakPolarHBondContact O-CD2 3.44Å
56E85.2Confident79.7Confident49 Ų4955.6 Ų55.623%0.22932%0.316CS..Hα-helixtrans-56.3-57173.8-76.8-55.1141.700109.1L52 L53 G58 L69 R78 L82 L84L52-E56 WeakPolarHBondContact O-CB 3.46Å; L52-E56 WeakPolarHBondContact O-CG 2.92Å; L52-E56 PolarHBondContact O-N 3.5Å; L53-E56 PolarHBondContact O-N 2.85Å; E56-G58 PolarHBondContact O-N 3.05Å; E56-L69 WeakPolarHBondContact O-CD2 3.42Å; E56-R78 PolarHBondContact O-NH1 2.84Å; E56-R78 PolarHBondContact O-NH2 2.91Å; E56-R78 IonicContact OE2-CZ 3.53Å; E56-R78 IonicContact OE2-NH2 3.36Å; E56-R78 PolarHBondContact OE2-NH2 2.87Å; E56-L82 HydrophobicContact CB-CD1 4.15Å; E56-L84 HydrophobicContact CB-CD2 4.34Å; E56-L84 HydrophobicContact CG-CD2 3.76Å
57L81.9Confident78.2Confident33 Ų3355.1 Ų55.117%0.17331%0.313CS..THydrogen-bonded Turntrans-61.7-3.3-177.8-66173.8000115.4L53 L54 T55 L59 L82 V99 I106L53-L57 HydrophobicContact CD1-CD1 4.04Å; L53-L57 HydrophobicContact CD1-CG 4.25Å; L53-L57 HydrophobicContact CG-CD1 3.89Å; L53-L57 HydrophobicContact CG-CG 4.43Å; L53-L57 WeakPolarHBondContact O-CB 3.12Å; L53-L57 WeakPolarHBondContact O-CG 3.47Å; L53-L57 PolarHBondContact O-N 2.9Å; L54-L57 CarbonylContact O-C 3.57Å; L54-L57 PolarHBondContact O-N 2.94Å; T55-L57 PolarHBondContact O-N 3.36Å; L57-L59 VanDerWaalsContact C-N 3.28Å; L57-L59 HydrophobicContact CB-CD1 3.84Å; L57-L59 HydrophobicContact CB-CG 3.81Å; L57-L59 HydrophobicContact CD1-CD1 4.14Å; L57-L59 PolarHBondContact O-N 3.16Å; L57-L82 HydrophobicContact CD2-CD1 3.96Å; L57-L82 HydrophobicContact CG-CD1 4.31Å; L57-V99 HydrophobicContact CD1-CG1 4.24Å; L57-V99 HydrophobicContact CD2-CG1 4.36Å; L57-I106 HydrophobicContact CD1-CD1 4.02Å; L57-I106 HydrophobicContact CD1-CG2 4.05Å
58G78.8Confident76.8Confident0 Ų055.1 Ų55.10%031%0.308CS..THydrogen-bonded Turntrans65.933.5-177.200000112.4L54 T55 E56L54-G58 PolarHBondContact O-N 3.49Å; T55-G58 PolarHBondContact O-N 2.82Å; T55-G58 VanDerWaalsContact O-N 3.14Å; E56-G58 PolarHBondContact O-N 3.05Å
59L79.8Confident75.4Confident31 Ų3155.3 Ų55.316%0.16231%0.306CS..  trans-113.12.6-177.5-57.3-179.9000112.9Y11 L54 L57 I106Y11-L59 HydrophobicContact CD1-CD1 4.26Å; Y11-L59 HydrophobicContact CD2-CD1 4.28Å; Y11-L59 HydrophobicContact CE1-CD1 4.09Å; Y11-L59 HydrophobicContact CE1-CD2 4.05Å; Y11-L59 HydrophobicContact CE2-CB 3.91Å; Y11-L59 HydrophobicContact CE2-CD1 4.14Å; Y11-L59 HydrophobicContact CE2-CG 4.42Å; Y11-L59 HydrophobicContact CG-CD1 4.36Å; L54-L59 HydrophobicContact CB-CB 4.43Å; L54-L59 HydrophobicContact CD2-CB 3.84Å; L54-L59 HydrophobicContact CD2-CD1 4.21Å; L54-L59 PolarHBondContact O-N 3.43Å; L57-L59 VanDerWaalsContact C-N 3.28Å; L57-L59 HydrophobicContact CB-CD1 3.84Å; L57-L59 HydrophobicContact CB-CG 3.81Å; L57-L59 HydrophobicContact CD1-CD1 4.14Å; L57-L59 PolarHBondContact O-N 3.16Å; L59-I106 HydrophobicContact CD1-CD1 3.76Å
60S75.2Confident74.1Confident52 Ų5258.9 Ų58.936%0.36432%0.32SS..SBendtrans-69.8-34.2-179.4-65.40000113.7L54 T55L54-S60 PolarHBondContact O-N 2.78Å; L54-S60 PolarHBondContact O-OG 2.92Å; T55-S60 WeakPolarHBondContact CA-OG 3.28Å; T55-S60 PolarHBondContact N-OG 3.3Å; T55-S60 PolarHBondContact OG1-OG 3.48Å
61D69.8Low72.4Confident68 Ų6859.6 Ų59.636%0.36432%0.324SS..  trans-108.185.9-178.9-68.3-23.3000110.3D63 K64 M67D61-D63 PolarHBondContact O-N 2.95Å; D61-K64 HydrophobicContact CB-CB 4.28Å; D61-K64 HydrophobicContact CB-CD 3.94Å; D61-K64 HydrophobicContact CB-CG 4.13Å; D61-K64 PolarHBondContact O-N 2.64Å; D61-K64 WeakPolarHBondContact OD2-CE 3.14Å; D61-K64 IonicContact OD2-NZ 2.73Å; D61-K64 PolarHBondContact OD2-NZ 3.46Å; D61-M67 HydrophobicContact CB-SD 3.92Å
62S60.9Low70.8Confident85 Ų8555.4 Ų55.459%0.59431%0.305SS*.THydrogen-bonded Turntrans-61.3-24.9179.656.40000114
63D59.5Low68.7Low151 Ų15155.6 Ų55.681%0.80731%0.309SS*.THydrogen-bonded Turntrans-87.8-10.4-171.7-59.6-12.4000112.6D61 P65D61-D63 PolarHBondContact O-N 2.95Å; D63-P65 WeakPolarHBondContact O-CD 3.39Å
64K60.8Low66.6Low111 Ų11160.6 Ų60.648%0.48334%0.336SS..  trans-88.9118.3176-71.6-179.1-174.9159.30110D61 Y66 M67D61-K64 HydrophobicContact CB-CB 4.28Å; D61-K64 HydrophobicContact CB-CD 3.94Å; D61-K64 HydrophobicContact CB-CG 4.13Å; D61-K64 PolarHBondContact O-N 2.64Å; D61-K64 WeakPolarHBondContact OD2-CE 3.14Å; D61-K64 IonicContact OD2-NZ 2.73Å; D61-K64 PolarHBondContact OD2-NZ 3.46Å; K64-Y66 PolarHBondContact O-N 2.74Å; K64-M67 HydrophobicContact CB-CG 4.24Å
65P55.1Low64.8Low111 Ų11162.6 Ų62.672%0.72134%0.344SS*.SBendtrans-66.1-28.9179.426-33.2000112.2D63 R70D63-P65 WeakPolarHBondContact O-CD 3.39Å; P65-R70 PolarHBondContact O-NH2 3.38Å
66Y58.2Low63Low49 Ų4967.5 Ų67.519%0.19236%0.363CS..  trans-125.6131.3176.4179.6-96.1000111K64 A68 D71 D72 F364K64-Y66 PolarHBondContact O-N 2.74Å; Y66-A68 HydrophobicContact CE1-CB 4.23Å; Y66-D71 WeakPolarHBondContact CA-OD2 3.28Å; Y66-D71 HydrophobicContact CD2-CB 3.43Å; Y66-D71 VanDerWaalsContact CD2-CB 3.43Å; Y66-D71 HydrophobicContact CE2-CB 3.41Å; Y66-D71 VanDerWaalsContact CE2-CB 3.41Å; Y66-D71 HydrophobicContact CG-CB 4.38Å; Y66-D72 WeakPolarHBondContact OH-CA 3.36Å; Y66-F364 HydrophobicContact CD2-CB 3.79Å; Y66-F364 HydrophobicContact CE2-CB 4.24Å
67M63.3Low61.4Low29 Ų2971.3 Ų71.314%0.14338%0.38CS..  trans-129.4120.6168.4-77.4-17158.800108.9D61 K64 L69 R70 D71D61-M67 HydrophobicContact CB-SD 3.92Å; K64-M67 HydrophobicContact CB-CG 4.24Å; M67-L69 PolarHBondContact O-N 3.41Å; M67-L69 VanDerWaalsContact O-N 3.16Å; M67-R70 HydrophobicContact CB-CB 4.14Å; M67-R70 PolarHBondContact O-N 2.94Å; M67-D71 PolarHBondContact N-OD2 3.36Å; M67-D71 WeakPolarHBondContact O-CB 3.47Å; M67-D71 PolarHBondContact O-N 3.32Å
68A61.6Low60.3Low53 Ų5373 Ų7344%0.43839%0.385SS..Hα-helixtrans-52.8-41.9-179.200000112.6Y66 R70 D72Y66-A68 HydrophobicContact CE1-CB 4.23Å; A68-R70 PolarHBondContact O-N 3.27Å; A68-D72 HydrophobicContact CB-CB 4.14Å; A68-D72 WeakPolarHBondContact O-CA 3.26Å; A68-D72 WeakPolarHBondContact O-CB 3.36Å; A68-D72 PolarHBondContact O-N 3.25Å
69L62.8Low59.7Low64 Ų6475.5 Ų75.534%0.33540%0.402SS..Hα-helixtrans-63.8-13.6177.6-161.973.1000115T55 E56 M67 H75T55-L69 WeakPolarHBondContact O-CD2 3.44Å; E56-L69 WeakPolarHBondContact O-CD2 3.42Å; M67-L69 PolarHBondContact O-N 3.41Å; M67-L69 VanDerWaalsContact O-N 3.16Å; L69-H75 PolarHBondContact O-CD2 2.87Å; L69-H75 VanDerWaalsContact O-CD2 3.32Å; L69-H75 PolarHBondContact O-CE1 3.17Å; L69-H75 PolarHBondContact O-NE2 2.81Å
70R63.6Low59.7Low75 Ų7576.4 Ų76.428%0.28341%0.409SS..Hα-helixtrans-112.9-39.9179.6-174.2-172.570.6-155.9-0.3112.2P65 M67 A68P65-R70 PolarHBondContact O-NH2 3.38Å; M67-R70 HydrophobicContact CB-CB 4.14Å; M67-R70 PolarHBondContact O-N 2.94Å; A68-R70 PolarHBondContact O-N 3.27Å
71D57.1Low60.3Low41 Ų4174.4 Ų74.422%0.21940%0.396CS..Hα-helixtrans-117.4-11.7-163.6-53.6-47.7000113Y66 M67Y66-D71 WeakPolarHBondContact CA-OD2 3.28Å; Y66-D71 HydrophobicContact CD2-CB 3.43Å; Y66-D71 VanDerWaalsContact CD2-CB 3.43Å; Y66-D71 HydrophobicContact CE2-CB 3.41Å; Y66-D71 VanDerWaalsContact CE2-CB 3.41Å; Y66-D71 HydrophobicContact CG-CB 4.38Å; M67-D71 PolarHBondContact N-OD2 3.36Å; M67-D71 WeakPolarHBondContact O-CB 3.47Å; M67-D71 PolarHBondContact O-N 3.32Å
72D57.5Low61.2Low41 Ų4171.7 Ų71.722%0.21938%0.382CS..  trans-68.1136169.7-168.4-6.3000108.8Y66 A68 L74 H75Y66-D72 WeakPolarHBondContact OH-CA 3.36Å; A68-D72 HydrophobicContact CB-CB 4.14Å; A68-D72 WeakPolarHBondContact O-CA 3.26Å; A68-D72 WeakPolarHBondContact O-CB 3.36Å; A68-D72 PolarHBondContact O-N 3.25Å; D72-L74 VanDerWaalsContact C-N 3.33Å; D72-L74 PolarHBondContact OD1-N 3.33Å; D72-H75 WeakPolarHBondContact O-CB 3.37Å; D72-H75 PolarHBondContact O-N 3.45Å
73C46.7Very low62.6Low40 Ų4071.2 Ų71.227%0.2737%0.37SS..THydrogen-bonded Turntrans-89.2-3179-63.70000111.6H75 L427 Y430 W476C73-H75 PolarHBondContact O-N 2.97Å; C73-L427 HydrophobicContact CB-CB 3.23Å; C73-L427 HydrophobicContact CB-CD1 4.36Å; C73-L427 HydrophobicContact CB-CG 4.41Å; C73-L427 WeakPolarHBondContact CB-O 3.31Å; C73-L427 WeakPolarHBondContact O-CD1 3.25Å; C73-L427 PolarHBondContact SG-O 2.78Å; C73-Y430 VanDerWaalsContact SG-CE1 3.55Å; C73-W476 HydrophobicContact CB-CH2 4.25Å
74L46.3Very low64.1Low107 Ų10764 Ų6456%0.5633%0.332SS*.THydrogen-bonded Turntrans-71.4-17.2163-74.7171.3000111.3D72 Q76 L427D72-L74 VanDerWaalsContact C-N 3.33Å; D72-L74 PolarHBondContact OD1-N 3.33Å; L74-Q76 PolarHBondContact O-N 3Å; L74-L427 VanDerWaalsContact CA-CD1 3.44Å; L74-L427 HydrophobicContact CB-CD1 4.04Å; L74-L427 HydrophobicContact CD2-CD1 3.36Å; L74-L427 HydrophobicContact CD2-CG 3.92Å; L74-L427 HydrophobicContact CG-CD1 3.56Å; L74-L427 HydrophobicContact CG-CG 3.88Å; L74-L427 VanDerWaalsContact N-CD1 3.25Å
75H50.1Low65.5Low59 Ų5963.8 Ų63.827%0.27333%0.332SS..SBendtrans-65.7101172.7-152.564000108.7L69 D72 C73 Q77 R78L69-H75 PolarHBondContact O-CD2 2.87Å; L69-H75 VanDerWaalsContact O-CD2 3.32Å; L69-H75 PolarHBondContact O-CE1 3.17Å; L69-H75 PolarHBondContact O-NE2 2.81Å; D72-H75 WeakPolarHBondContact O-CB 3.37Å; D72-H75 PolarHBondContact O-N 3.45Å; C73-H75 PolarHBondContact O-N 2.97Å; H75-Q77 PolarHBondContact O-N 2.81Å; H75-Q77 VanDerWaalsContact O-N 3.17Å; H75-R78 PolarHBondContact CE1-NE 2.8Å; H75-R78 WeakPolarHBondContact NE2-CD 3.39Å; H75-R78 PolarHBondContact NE2-NE 3.18Å
76Q48.7Very low67.1Low168 Ų16859.5 Ų59.579%0.78530%0.304SS*.  trans-49.7127.1169.7-78.6178.5-25.900107.7L74 R78L74-Q76 PolarHBondContact O-N 3Å; Q76-R78 WeakPolarHBondContact O-CA 3.45Å; Q76-R78 PolarHBondContact O-N 2.94Å
77Q52.1Low68.2Low129 Ų12966.2 Ų66.260%0.60334%0.337SS*.  trans-40.8110.2175.2-168.1-1781300107.7H75 S79 E472H75-Q77 PolarHBondContact O-N 2.81Å; H75-Q77 VanDerWaalsContact O-N 3.17Å; Q77-S79 PolarHBondContact O-N 2.79Å; Q77-E472 VanDerWaalsContact CD-OE1 3.23Å; Q77-E472 PolarHBondContact NE2-OE1 2.76Å; Q77-E472 PolarHBondContact OE1-OE1 2.85Å
78R58.4Low68.5Low70 Ų7067.2 Ų67.226%0.26436%0.355SS..  trans-61122.9-162.6-87.3-174.7161.5177.45.8108.8E56 H75 Q76E56-R78 PolarHBondContact O-NH1 2.84Å; E56-R78 PolarHBondContact O-NH2 2.91Å; E56-R78 IonicContact OE2-CZ 3.53Å; E56-R78 IonicContact OE2-NH2 3.36Å; E56-R78 PolarHBondContact OE2-NH2 2.87Å; H75-R78 PolarHBondContact CE1-NE 2.8Å; H75-R78 WeakPolarHBondContact NE2-CD 3.39Å; H75-R78 PolarHBondContact NE2-NE 3.18Å; Q76-R78 WeakPolarHBondContact O-CA 3.45Å; Q76-R78 PolarHBondContact O-N 2.94Å
79S66.8Low68.3Low51 Ų5171.9 Ų71.936%0.35738%0.38SS..  trans-44.5134.8159.3-176.80000107.3Q77 A81 L123Q77-S79 PolarHBondContact O-N 2.79Å; S79-A81 PolarHBondContact O-N 3.34Å; S79-A81 PolarHBondContact OG-N 3.31Å; S79-L123 WeakPolarHBondContact OG-CD1 3.47Å
80P79.3Confident68Low50 Ų5072.4 Ų72.433%0.32539%0.39SS..SBendtrans-63.9-5.217831-38.6000111.5L98 V99 L133P80-L98 CarbonylContact O-C 3.57Å; P80-L98 WeakPolarHBondContact O-CA 3.47Å; P80-V99 PolarHBondContact O-N 3.44Å; P80-L133 HydrophobicContact CB-CD1 4.43Å; P80-L133 HydrophobicContact CB-CD2 3.57Å; P80-L133 HydrophobicContact CG-CD1 3.63Å; P80-L133 HydrophobicContact CG-CD2 3.73Å; P80-L133 HydrophobicContact CG-CG 4.33Å
81A88.1Confident68.2Low11 Ų1171 Ų719%0.09140%0.398CS..EExtended strand (participates in β ladder)trans-94.9111.816900000112.3S79 P96 M97 L98 L123S79-A81 PolarHBondContact O-N 3.34Å; S79-A81 PolarHBondContact OG-N 3.31Å; A81-P96 HydrophobicContact CB-CB 3.75Å; A81-M97 CarbonylContact C-O 3.58Å; A81-M97 WeakPolarHBondContact CA-O 3.42Å; A81-L98 HydrophobicContact CB-CD2 3.74Å; A81-L123 HydrophobicContact CB-CD1 3.81Å; A81-L123 HydrophobicContact CB-CD2 3.57Å; A81-L123 HydrophobicContact CB-CG 4.37Å
82L89.3Confident69.6Low11 Ų1170.2 Ų70.26%0.05840%0.4CS..EExtended strand (participates in β ladder)trans-95.6163.2174.9-52.4-178.1000112.4L53 E56 L57 M97 V99L53-L82 HydrophobicContact CD1-CD1 3.76Å; E56-L82 HydrophobicContact CB-CD1 4.15Å; L57-L82 HydrophobicContact CD2-CD1 3.96Å; L57-L82 HydrophobicContact CG-CD1 4.31Å; L82-M97 HydrophobicContact CB-CB 4.23Å; L82-M97 HydrophobicContact CB-CG 4.49Å; L82-M97 PolarHBondContact N-O 2.93Å; L82-M97 WeakPolarHBondContact O-CB 3.37Å; L82-M97 PolarHBondContact O-N 2.91Å; L82-V99 HydrophobicContact CD1-CB 4.38Å; L82-V99 HydrophobicContact CD1-CG2 3.68Å; L82-V99 HydrophobicContact CG-CG2 4.04Å
83E90Very high71.1Confident75 Ų7570.8 Ų70.835%0.3541%0.405SS..EExtended strand (participates in β ladder)trans-111.2114.9171-70.1-172.4-144.800109.3V93 W95 R120E83-V93 HydrophobicContact CB-CG1 3.9Å; E83-V93 HydrophobicContact CG-CG1 4.17Å; E83-W95 HydrophobicContact CG-CB 4.22Å; E83-W95 HydrophobicContact CG-CG 4.04Å; E83-R120 IonicContact OE1-CZ 3.81Å; E83-R120 IonicContact OE1-NH1 2.86Å; E83-R120 PolarHBondContact OE1-NH1 3.18Å; E83-R120 IonicContact OE2-CZ 3.1Å; E83-R120 IonicContact OE2-NH1 3.14Å; E83-R120 PolarHBondContact OE2-NH1 3.49Å
84L90.6Very high73.2Confident0 Ų069 Ų690%039%0.393CS..EExtended strand (participates in β ladder)trans-99.1117.1175.7-52.3-175000109.8V49 L52 E56 L94 M97V49-L84 HydrophobicContact CG1-CD1 4.36Å; L52-L84 HydrophobicContact CB-CB 4.38Å; L52-L84 HydrophobicContact CB-CD1 4.39Å; L52-L84 HydrophobicContact CB-CD2 4.31Å; L52-L84 HydrophobicContact CD1-CB 4.36Å; E56-L84 HydrophobicContact CB-CD2 4.34Å; E56-L84 HydrophobicContact CG-CD2 3.76Å; L84-L94 HydrophobicContact CB-CB 4.22Å; L84-L94 PolarHBondContact N-O 2.98Å; L84-L94 PolarHBondContact O-N 2.91Å; L84-M97 HydrophobicContact CD1-CB 4.25Å; L84-M97 HydrophobicContact CD1-CG 3.71Å; L84-M97 HydrophobicContact CD1-SD 3.61Å; L84-M97 HydrophobicContact CD2-CG 4.29Å; L84-M97 HydrophobicContact CG-CB 3.99Å; L84-M97 HydrophobicContact CG-CG 3.87Å; L84-M97 HydrophobicContact CG-SD 4.4Å
85H90.1Very high75.3Confident105 Ų10565.5 Ų65.549%0.48637%0.372SS..EExtended strand (participates in β ladder)trans-84.3115.3176.7-67.680.5000109.7L52L52-H85 WeakPolarHBondContact CD1-O 3.49Å; L52-H85 WeakPolarHBondContact CD2-O 3.09Å
86V88.6Confident77.3Confident22 Ų2262.7 Ų62.713%0.13336%0.359CS..EExtended strand (participates in β ladder)trans-95.6118.2179.7-176.10000109.2V41 P44 L52 G91 G92 L94V41-V86 HydrophobicContact CG1-CG2 4.33Å; P44-V86 HydrophobicContact CG-CB 4.49Å; P44-V86 HydrophobicContact CG-CG1 3.81Å; P44-V86 HydrophobicContact CG-CG2 3.77Å; L52-V86 HydrophobicContact CD1-CG2 4.12Å; V86-G91 WeakPolarHBondContact O-CA 3.34Å; V86-G92 PolarHBondContact N-O 2.92Å; V86-G92 PolarHBondContact O-N 2.81Å; V86-L94 HydrophobicContact CG2-CD1 3.72Å; V86-L94 HydrophobicContact CG2-CG 3.85Å
87E81.3Confident79.5Confident190 Ų19054.8 Ų54.889%0.88832%0.322SS*.  trans-78.6138174.8-61.4-172.1164.600111.3
88G69.3Low81.5Confident50 Ų5048.6 Ų48.652%0.51529%0.293SS..SBendtrans145.7-176.417400000115.5S90 G91G88-S90 PolarHBondContact O-N 2.91Å; G88-G91 WeakPolarHBondContact O-CA 3.5Å; G88-G91 PolarHBondContact O-N 3.36Å
89P57.1Low83.1Confident150 Ų15045.9 Ų45.997%0.97428%0.284SS*.THydrogen-bonded Turntrans-64.3-25.4-177.4-18.730.8000114
90S58Low84.2Confident76 Ų7644.9 Ų44.953%0.53128%0.275SS..THydrogen-bonded Turntrans-107.529.9172.459.70000111.3G88G88-S90 PolarHBondContact O-N 2.91Å
91G68.1Low84.4Confident45 Ų4546.7 Ų46.746%0.46429%0.288SS..  trans-57145.5-173.900000112.4V86 G88V86-G91 WeakPolarHBondContact O-CA 3.34Å; G88-G91 WeakPolarHBondContact O-CA 3.5Å; G88-G91 PolarHBondContact O-N 3.36Å
92G84.8Confident83.8Confident24 Ų2451.4 Ų51.425%0.24731%0.309CS..EExtended strand (participates in β ladder)trans175.6-175.8-176.700000112.2V86V86-G92 PolarHBondContact N-O 2.92Å; V86-G92 PolarHBondContact O-N 2.81Å
93V89.6Confident83.2Confident54 Ų5454.2 Ų54.233%0.32734%0.34SS..EExtended strand (participates in β ladder)trans-104.6125.3-174.1-176.50000110.4E83 W95E83-V93 HydrophobicContact CB-CG1 3.9Å; E83-V93 HydrophobicContact CG-CG1 4.17Å; V93-W95 HydrophobicContact CG1-CB 4.2Å
94L90.9Very high82.8Confident2 Ų252.5 Ų52.51%0.0134%0.335CS..EExtended strand (participates in β ladder)trans-87.5115.5166-62.1171.5000109.1V41 P44 L84 V86 L110V41-L94 HydrophobicContact CB-CD2 4.04Å; V41-L94 HydrophobicContact CG1-CD2 3.73Å; V41-L94 HydrophobicContact CG1-CG 4.18Å; P44-L94 HydrophobicContact CG-CD1 4.21Å; L84-L94 HydrophobicContact CB-CB 4.22Å; L84-L94 PolarHBondContact N-O 2.98Å; L84-L94 PolarHBondContact O-N 2.91Å; V86-L94 HydrophobicContact CG2-CD1 3.72Å; V86-L94 HydrophobicContact CG2-CG 3.85Å; L94-L110 HydrophobicContact CB-CD1 4.12Å; L94-L110 HydrophobicContact CD2-CD2 4.03Å
95W91.2Very high82.7Confident34 Ų3452.8 Ų52.813%0.12934%0.337CS..EExtended strand (participates in β ladder)trans-152.2146.2178.817789.1000111.7E83 V93 V113 R120 L123 L126E83-W95 HydrophobicContact CG-CB 4.22Å; E83-W95 HydrophobicContact CG-CG 4.04Å; V93-W95 HydrophobicContact CG1-CB 4.2Å; W95-V113 HydrophobicContact CE3-CG2 4Å; W95-V113 HydrophobicContact CZ3-CB 4.47Å; W95-V113 HydrophobicContact CZ3-CG1 4.29Å; W95-V113 HydrophobicContact CZ3-CG2 3.71Å; W95-R120 VanDerWaalsContact CE2-NE 3.35Å; W95-R120 HydrophobicContact CE3-CG 4.46Å; W95-R120 VanDerWaalsContact CG-CZ 3.43Å; W95-R120 VanDerWaalsContact CH2-CD 3.4Å; W95-R120 HydrophobicContact CH2-CG 3.3Å; W95-R120 HydrophobicContact CZ2-CG 3.79Å; W95-R120 HydrophobicContact CZ3-CG 3.68Å; W95-L123 HydrophobicContact CH2-CD2 4.26Å; W95-L123 HydrophobicContact CZ2-CD2 3.37Å; W95-L123 HydrophobicContact CZ2-CG 4.02Å; W95-L126 HydrophobicContact CH2-CD1 3.58Å; W95-L126 HydrophobicContact CZ2-CD1 4.26Å; W95-L126 HydrophobicContact CZ3-CD1 4.16Å
96P92.1Very high82.7Confident0 Ų048 Ų480%032%0.315CS..EExtended strand (participates in β ladder)cis-85126.2-6.630.7-30.7000111.3A81 L98 A111 V113 L123 V129A81-P96 HydrophobicContact CB-CB 3.75Å; P96-L98 HydrophobicContact CB-CD2 4.22Å; P96-L98 PolarHBondContact O-N 2.8Å; P96-A111 HydrophobicContact CG-CB 4.16Å; P96-A111 PolarHBondContact O-N 2.9Å; P96-V113 HydrophobicContact CG-CG2 4.04Å; P96-L123 HydrophobicContact CB-CD2 4.22Å; P96-V129 HydrophobicContact CB-CG2 4.43Å; P96-V129 HydrophobicContact CG-CG2 3.98Å
97M93.9Very high82.9Confident1 Ų146.9 Ų46.91%0.00531%0.308CS..EExtended strand (participates in β ladder)trans-84.9100.1169.8175.479.9-8100108.1W7 L53 A81 L82 L84 V99 A108 C109 L110W7-M97 HydrophobicContact CE3-CE 4.04Å; W7-M97 HydrophobicContact CE3-SD 4.47Å; W7-M97 HydrophobicContact CZ3-CE 3.71Å; W7-M97 HydrophobicContact CZ3-SD 4.05Å; L53-M97 HydrophobicContact CD1-CG 4.41Å; A81-M97 CarbonylContact C-O 3.58Å; A81-M97 WeakPolarHBondContact CA-O 3.42Å; L82-M97 HydrophobicContact CB-CB 4.23Å; L82-M97 HydrophobicContact CB-CG 4.49Å; L82-M97 PolarHBondContact N-O 2.93Å; L82-M97 WeakPolarHBondContact O-CB 3.37Å; L82-M97 PolarHBondContact O-N 2.91Å; L84-M97 HydrophobicContact CD1-CB 4.25Å; L84-M97 HydrophobicContact CD1-CG 3.71Å; L84-M97 HydrophobicContact CD1-SD 3.61Å; L84-M97 HydrophobicContact CD2-CG 4.29Å; L84-M97 HydrophobicContact CG-CB 3.99Å; L84-M97 HydrophobicContact CG-CG 3.87Å; L84-M97 HydrophobicContact CG-SD 4.4Å; M97-V99 HydrophobicContact CG-CG2 4.02Å; M97-A108 HydrophobicContact CE-CB 3.78Å; M97-A108 HydrophobicContact SD-CB 4.38Å; M97-C109 VanDerWaalsContact CE-N 3.33Å; M97-C109 WeakPolarHBondContact CE-O 3.18Å; M97-L110 HydrophobicContact CE-CB 4.12Å
98L94.6Very high83.6Confident0 Ų037.9 Ų37.90%027%0.266CS..EExtended strand (participates in β ladder)trans-80.6134.6-178.5-55.6174.5000110.2P80 A81 P96 A108 C109 A111 V129 L133 L136P80-L98 CarbonylContact O-C 3.57Å; P80-L98 WeakPolarHBondContact O-CA 3.47Å; A81-L98 HydrophobicContact CB-CD2 3.74Å; P96-L98 HydrophobicContact CB-CD2 4.22Å; P96-L98 PolarHBondContact O-N 2.8Å; L98-A108 CarbonylContact O-C 3.54Å; L98-A108 WeakPolarHBondContact O-CA 3.49Å; L98-C109 WeakPolarHBondContact CB-O 3.5Å; L98-C109 PolarHBondContact N-O 3.02Å; L98-C109 PolarHBondContact O-N 3.49Å; L98-A111 HydrophobicContact CD1-CB 4.06Å; L98-V129 HydrophobicContact CD2-CB 4.35Å; L98-V129 HydrophobicContact CD2-CG1 3.84Å; L98-V129 HydrophobicContact CD2-CG2 4.26Å; L98-L133 HydrophobicContact CB-CD2 4.2Å; L98-L133 HydrophobicContact CD1-CG 4.47Å; L98-L133 HydrophobicContact CD2-CD2 4.34Å; L98-L133 HydrophobicContact CD2-CG 4.45Å; L98-L136 HydrophobicContact CB-CD1 3.95Å; L98-L136 WeakPolarHBondContact O-CD1 3.32Å
99V92.3Very high84.9Confident13 Ų1335.5 Ų35.58%0.07924%0.241CC..EExtended strand (participates in β ladder)trans-141.2135-173.9-1720000110.5L53 L57 P80 L82 M97 I106 L107 A108L53-V99 HydrophobicContact CD1-CG1 4.3Å; L53-V99 HydrophobicContact CD1-CG2 3.55Å; L57-V99 HydrophobicContact CD1-CG1 4.24Å; L57-V99 HydrophobicContact CD2-CG1 4.36Å; P80-V99 PolarHBondContact O-N 3.44Å; L82-V99 HydrophobicContact CD1-CB 4.38Å; L82-V99 HydrophobicContact CD1-CG2 3.68Å; L82-V99 HydrophobicContact CG-CG2 4.04Å; M97-V99 HydrophobicContact CG-CG2 4.02Å; V99-I106 HydrophobicContact CG1-CG2 3.75Å; V99-L107 WeakPolarHBondContact CA-O 3.2Å; V99-A108 HydrophobicContact CG2-CB 4.1Å
100I89.4Confident86.7Confident30 Ų3028.4 Ų28.415%0.15420%0.195CC..EExtended strand (participates in β ladder)trans-129.9143.2166.166.1175.7000109.6L107 L133 L136 Q140I100-L107 HydrophobicContact CD1-CB 4.49Å; I100-L107 HydrophobicContact CG1-CB 3.92Å; I100-L107 PolarHBondContact N-O 2.89Å; I100-L107 PolarHBondContact O-N 2.93Å; I100-L133 HydrophobicContact CG2-CD2 4.35Å; I100-L136 HydrophobicContact CD1-CB 3.54Å; I100-L136 VanDerWaalsContact CD1-O 3.32Å; I100-L136 WeakPolarHBondContact CD1-O 3.5Å; I100-L136 HydrophobicContact CG1-CB 3.89Å; I100-L136 HydrophobicContact CG1-CD1 4.45Å; I100-L136 HydrophobicContact CG2-CB 4.45Å; I100-L136 HydrophobicContact CG2-CD1 4.48Å; I100-Q140 HydrophobicContact CD1-CB 3.82Å; I100-Q140 HydrophobicContact CD1-CG 4.39Å
101S84.1Confident88.4Confident87 Ų8724.9 Ų24.961%0.60817%0.171SC*.EExtended strand (participates in β ladder)trans-128.9127178.558.70000110.2L105S101-L105 WeakPolarHBondContact CA-O 3.27Å
102Q74.9Confident89.5Confident111 Ų11123.2 Ų23.252%0.51915%0.152SC..EExtended strand (participates in β ladder)trans-147126.6171.7-170.4-177.42200109.7L105 Q140Q102-L105 PolarHBondContact N-O 2.74Å; Q102-L105 VanDerWaalsContact N-O 3.12Å; Q102-L105 PolarHBondContact O-N 3.27Å; Q102-Q140 HydrophobicContact CB-CG 4.47Å
103G76.1Confident89.6Confident70 Ų7023.4 Ų23.472%0.72215%0.148SC*.THydrogen-bonded Turntrans57.9-134.5-175.700000111.3L105G103-L105 VanDerWaalsContact C-N 3.26Å; G103-L105 PolarHBondContact O-N 3.28Å
104P81.8Confident89.1Confident38 Ų3823.6 Ų23.625%0.24715%0.147CC..THydrogen-bonded Turntrans-8510.7-175.636.1-36.7000114.2S10 Y11 E12S10-P104 CarbonylContact C-O 3.12Å; S10-P104 WeakPolarHBondContact CA-O 3.4Å; Y11-P104 PolarHBondContact N-O 2.65Å; Y11-P104 CarbonylContact O-C 3.57Å; Y11-P104 VanDerWaalsContact O-CA 3.28Å; Y11-P104 WeakPolarHBondContact O-CA 3.35Å; E12-P104 HydrophobicContact CG-CB 3.54Å
105L87.6Confident88.5Confident6 Ų625.3 Ų25.33%0.03116%0.162CC..EExtended strand (participates in β ladder)trans-121.5134-174.5-66.1175.3000111.9I8 I9 S101 Q102 G103 L107 L143 L155I8-L105 HydrophobicContact CG2-CD2 4.37Å; I9-L105 WeakPolarHBondContact O-CA 3.2Å; S101-L105 WeakPolarHBondContact CA-O 3.27Å; Q102-L105 PolarHBondContact N-O 2.74Å; Q102-L105 VanDerWaalsContact N-O 3.12Å; Q102-L105 PolarHBondContact O-N 3.27Å; G103-L105 VanDerWaalsContact C-N 3.26Å; G103-L105 PolarHBondContact O-N 3.28Å; L105-L107 HydrophobicContact CB-CD1 3.96Å; L105-L143 HydrophobicContact CD1-CB 4.25Å; L105-L155 HydrophobicContact CD1-CD1 3.85Å; L105-L155 HydrophobicContact CD1-CD2 4.23Å; L105-L155 HydrophobicContact CD2-CD2 4.3Å
106I91.3Very high87.6Confident4 Ų428.3 Ų28.32%0.02119%0.185CC..EExtended strand (participates in β ladder)trans-113.5120.8168.7-57.5168.7000106.9I9 Y11 L53 L57 L59 V99I9-I106 HydrophobicContact CB-CB 4.2Å; I9-I106 PolarHBondContact N-O 2.82Å; I9-I106 PolarHBondContact O-N 3.32Å; Y11-I106 HydrophobicContact CG-CD1 4.08Å; L53-I106 HydrophobicContact CD2-CG2 4.09Å; L57-I106 HydrophobicContact CD1-CD1 4.02Å; L57-I106 HydrophobicContact CD1-CG2 4.05Å; L59-I106 HydrophobicContact CD1-CD1 3.76Å; V99-I106 HydrophobicContact CG1-CG2 3.75Å
107L93.4Very high86.5Confident0 Ų031 Ų310%021%0.208CC..EExtended strand (participates in β ladder)trans-109.9133.8174.9-73.676.2000108.5I8 V99 I100 L105 L136 L139 Q140 L143I8-L107 HydrophobicContact CG1-CG 4.34Å; I8-L107 HydrophobicContact CG2-CG 4.49Å; V99-L107 WeakPolarHBondContact CA-O 3.2Å; I100-L107 HydrophobicContact CD1-CB 4.49Å; I100-L107 HydrophobicContact CG1-CB 3.92Å; I100-L107 PolarHBondContact N-O 2.89Å; I100-L107 PolarHBondContact O-N 2.93Å; L105-L107 HydrophobicContact CB-CD1 3.96Å; L107-L136 HydrophobicContact CB-CD2 4.11Å; L107-L139 HydrophobicContact CD2-CB 3.65Å; L107-Q140 HydrophobicContact CD1-CB 4.4Å; L107-Q140 HydrophobicContact CD2-CB 4.06Å; L107-L143 HydrophobicContact CD1-CD1 4.48Å; L107-L143 HydrophobicContact CD2-CD1 4.04Å; L107-L143 HydrophobicContact CG-CD1 4.48Å
108A95.8Very high85.5Confident0 Ų037.3 Ų37.30%024%0.242CC..EExtended strand (participates in β ladder)trans-137.5142.6-178.200000112L6 W7 L53 M97 L98 V99L6-A108 CarbonylContact C-O 3.6Å; L6-A108 WeakPolarHBondContact CA-O 3.5Å; W7-A108 HydrophobicContact CE3-CB 4.47Å; W7-A108 PolarHBondContact N-O 3.17Å; W7-A108 PolarHBondContact O-N 3.26Å; L53-A108 HydrophobicContact CD2-CB 4.05Å; M97-A108 HydrophobicContact CE-CB 3.78Å; M97-A108 HydrophobicContact SD-CB 4.38Å; L98-A108 CarbonylContact O-C 3.54Å; L98-A108 WeakPolarHBondContact O-CA 3.49Å; V99-A108 HydrophobicContact CG2-CB 4.1Å
109C95.6Very high84.8Confident0 Ų043 Ų430%028%0.279CS..EExtended strand (participates in β ladder)trans-141.3138.6171.475.70000112.8V3 A5 L6 M97 L98 L136V3-C109 HydrophobicContact CG1-CB 3.72Å; A5-C109 CarbonylContact O-C 3.6Å; A5-C109 VanDerWaalsContact O-CA 3.28Å; A5-C109 WeakPolarHBondContact O-CA 3.49Å; L6-C109 HydrophobicContact CD1-CB 3.77Å; M97-C109 VanDerWaalsContact CE-N 3.33Å; M97-C109 WeakPolarHBondContact CE-O 3.18Å; L98-C109 WeakPolarHBondContact CB-O 3.5Å; L98-C109 PolarHBondContact N-O 3.02Å; L98-C109 PolarHBondContact O-N 3.49Å; C109-L136 HydrophobicContact CB-CD2 3.8Å; C109-L136 HydrophobicContact CB-CG 4.33Å
110L95.7Very high84.4Confident1 Ų147.1 Ų47.11%0.00529%0.293CS..EExtended strand (participates in β ladder)trans-93.6108.7179.7179.765.5000108.8V3 R4 A5 W7 V43 L94 M97V3-L110 CarbonylContact C-O 3.52Å; V3-L110 WeakPolarHBondContact CA-O 3.08Å; R4-L110 HydrophobicContact CB-CB 4.38Å; R4-L110 HydrophobicContact CB-CD2 4.07Å; R4-L110 HydrophobicContact CB-CG 4.23Å; R4-L110 PolarHBondContact N-O 3.44Å; A5-L110 PolarHBondContact O-N 3.3Å; W7-L110 HydrophobicContact CH2-CB 4.23Å; W7-L110 HydrophobicContact CZ3-CB 3.95Å; V43-L110 HydrophobicContact CG2-CD2 3.71Å; L94-L110 HydrophobicContact CB-CD1 4.12Å; L94-L110 HydrophobicContact CD2-CD2 4.03Å; M97-L110 HydrophobicContact CE-CB 4.12Å
111A93.1Very high84.2Confident3 Ų346.8 Ų46.83%0.02529%0.293CS..EExtended strand (participates in β ladder)trans-83.5150.7-178.600000111.9P96 L98P96-A111 HydrophobicContact CG-CB 4.16Å; P96-A111 PolarHBondContact O-N 2.9Å; L98-A111 HydrophobicContact CD1-CB 4.06Å
112V90.6Very high84.2Confident9 Ų947.2 Ų47.26%0.05529%0.293CS..  trans-83138.3166.2179.60000109.3S2 R4 V28 A32 S128S2-V112 WeakPolarHBondContact O-CB 3.23Å; S2-V112 PolarHBondContact O-N 3.23Å; R4-V112 HydrophobicContact CG-CG2 3.43Å; R4-V112 VanDerWaalsContact CG-CG2 3.43Å; V28-V112 HydrophobicContact CG1-CG2 3.26Å; A32-V112 HydrophobicContact CB-CG2 4.41Å; V112-S128 WeakPolarHBondContact O-CB 3.2Å; V112-S128 PolarHBondContact O-OG 3.23Å
113V88.2Confident84.7Confident28 Ų2844.1 Ų44.117%0.1728%0.28CS..  trans-102.6112.7172.6179.20000108.6W95 P96 A115 P121 L126W95-V113 HydrophobicContact CE3-CG2 4Å; W95-V113 HydrophobicContact CZ3-CB 4.47Å; W95-V113 HydrophobicContact CZ3-CG1 4.29Å; W95-V113 HydrophobicContact CZ3-CG2 3.71Å; P96-V113 HydrophobicContact CG-CG2 4.04Å; V113-A115 HydrophobicContact CG1-CB 3.86Å; V113-A115 PolarHBondContact O-N 2.89Å; V113-A115 VanDerWaalsContact O-N 3.15Å; V113-P121 HydrophobicContact CG1-CG 4.17Å; V113-L126 HydrophobicContact CG1-CD1 4.26Å; V113-L126 HydrophobicContact CG1-CD2 3.9Å; V113-L126 HydrophobicContact CG2-CD1 4.12Å
114D79.1Confident84.9Confident58 Ų5844.3 Ų44.331%0.3128%0.275SS..  trans-86.551176.7-72.3-28.6000110.7M1 R31 M35M1-D114 HydrophobicContact SD-CB 4.24Å; R31-D114 IonicContact CZ-OD1 3.99Å; R31-D114 IonicContact CZ-OD2 4Å; R31-D114 IonicContact NE-OD1 2.75Å; R31-D114 IonicContact NH2-OD1 2.79Å; R31-D114 PolarHBondContact NH2-OD1 3.32Å; R31-D114 IonicContact NH2-OD2 3.9Å; R31-D114 PolarHBondContact NH2-OD2 2.97Å; M35-D114 HydrophobicContact CE-CB 4.34Å; M35-D114 WeakPolarHBondContact CE-OD1 3.43Å
115A77.1Confident85Confident38 Ų3846.2 Ų46.231%0.31429%0.289SS..SBendtrans-148.6159.7-178.900000111V113 P121V113-A115 HydrophobicContact CG1-CB 3.86Å; V113-A115 PolarHBondContact O-N 2.89Å; V113-A115 VanDerWaalsContact O-N 3.15Å; A115-P121 HydrophobicContact CB-CG 3.88Å
116P72.1Confident85Confident97 Ų9746.4 Ų46.463%0.6329%0.29SS*.  trans-54.6142.3174.8-21.732.4000111.3D118P116-D118 VanDerWaalsContact C-N 3.3Å; P116-D118 PolarHBondContact O-N 2.89Å
117A69.7Low84.7Confident58 Ų5851.7 Ų51.748%0.47931%0.313SS..SBendtrans-67.7-33.2178.900000112L39 R120L39-A117 HydrophobicContact CD1-CB 4.06Å; A117-R120 WeakPolarHBondContact O-CA 3.33Å; A117-R120 PolarHBondContact O-N 3.41Å
118D74Confident84.4Confident133 Ų13351.9 Ų51.971%0.71131%0.314SS*.SBendtrans-131.9125.2-176.7-69.7-49.7000112P116P116-D118 VanDerWaalsContact C-N 3.3Å; P116-D118 PolarHBondContact O-N 2.89Å
119P79.6Confident84.1Confident119 Ų11952.3 Ų52.377%0.77332%0.317SS*.SBendcis-69.4145.5-9.630.8-34.2000111.4
120R83Confident83.6Confident99 Ų9955.1 Ų55.137%0.37434%0.336SS..PPolyproline II helixtrans-59.6128.7177.5179.2174.6-99.4164.32.6110.5E83 W95 A117E83-R120 IonicContact OE1-CZ 3.81Å; E83-R120 IonicContact OE1-NH1 2.86Å; E83-R120 PolarHBondContact OE1-NH1 3.18Å; E83-R120 IonicContact OE2-CZ 3.1Å; E83-R120 IonicContact OE2-NH1 3.14Å; E83-R120 PolarHBondContact OE2-NH1 3.49Å; W95-R120 VanDerWaalsContact CE2-NE 3.35Å; W95-R120 HydrophobicContact CE3-CG 4.46Å; W95-R120 VanDerWaalsContact CG-CZ 3.43Å; W95-R120 VanDerWaalsContact CH2-CD 3.4Å; W95-R120 HydrophobicContact CH2-CG 3.3Å; W95-R120 HydrophobicContact CZ2-CG 3.79Å; W95-R120 HydrophobicContact CZ3-CG 3.68Å; A117-R120 WeakPolarHBondContact O-CA 3.33Å; A117-R120 PolarHBondContact O-N 3.41Å
121P84.9Confident83.3Confident24 Ų2457.1 Ų57.116%0.15635%0.346CS..PPolyproline II helixtrans-69148.2178.428-36.2000111.7V113 A115 L123 L126V113-P121 HydrophobicContact CG1-CG 4.17Å; A115-P121 HydrophobicContact CB-CG 3.88Å; P121-L123 PolarHBondContact O-N 2.65Å; P121-L126 HydrophobicContact CB-CD2 4.05Å; P121-L126 HydrophobicContact CB-CG 4.47Å; P121-L126 HydrophobicContact CG-CD1 4.18Å; P121-L126 HydrophobicContact CG-CD2 3.62Å; P121-L126 HydrophobicContact CG-CG 4.16Å
122P85.1Confident83.1Confident95 Ų9557 Ų5762%0.61735%0.345SS*.PPolyproline II helixtrans-58.6137.4173.6-22.632.6000111.7A124 S125P122-A124 PolarHBondContact O-N 2.61Å; P122-S125 WeakPolarHBondContact O-CB 3.45Å; P122-S125 PolarHBondContact O-N 2.84Å; P122-S125 PolarHBondContact O-OG 2.79Å
123L85.6Confident83.1Confident47 Ų4758.6 Ų58.625%0.24635%0.353CS..G310 helixtrans-55.9-38.5-178.4-73.7168.6000113S79 A81 W95 P96 P121 S125 L126 V129S79-L123 WeakPolarHBondContact OG-CD1 3.47Å; A81-L123 HydrophobicContact CB-CD1 3.81Å; A81-L123 HydrophobicContact CB-CD2 3.57Å; A81-L123 HydrophobicContact CB-CG 4.37Å; W95-L123 HydrophobicContact CH2-CD2 4.26Å; W95-L123 HydrophobicContact CZ2-CD2 3.37Å; W95-L123 HydrophobicContact CZ2-CG 4.02Å; P96-L123 HydrophobicContact CB-CD2 4.22Å; P121-L123 PolarHBondContact O-N 2.65Å; L123-S125 PolarHBondContact O-N 2.61Å; L123-L126 HydrophobicContact CD2-CD1 4.38Å; L123-L126 WeakPolarHBondContact O-CB 3.01Å; L123-L126 PolarHBondContact O-N 2.96Å; L123-V129 HydrophobicContact CD2-CG2 3.85Å
124A80.5Confident83Confident73 Ų7361.3 Ų61.360%0.60337%0.37SS*.G310 helixtrans-62.5-23.3177.900000113.5P122 L491P122-A124 PolarHBondContact O-N 2.61Å; A124-L491 HydrophobicContact CB-CD1 4.1Å
125S83.1Confident83.5Confident78 Ų7858.7 Ų58.755%0.54536%0.356SS..G310 helixtrans-84.4-11.8176.474.60000113.3P122 L123 F127P122-S125 WeakPolarHBondContact O-CB 3.45Å; P122-S125 PolarHBondContact O-N 2.84Å; P122-S125 PolarHBondContact O-OG 2.79Å; L123-S125 PolarHBondContact O-N 2.61Å; S125-F127 PolarHBondContact O-N 3.36Å
126L87.2Confident84.2Confident10 Ų1056.9 Ų56.95%0.05234%0.341CS..  trans-90.6103.1-174.2-67.1-178.9000111.3W95 V113 P121 L123 S128 V129 S130W95-L126 HydrophobicContact CH2-CD1 3.58Å; W95-L126 HydrophobicContact CZ2-CD1 4.26Å; W95-L126 HydrophobicContact CZ3-CD1 4.16Å; V113-L126 HydrophobicContact CG1-CD1 4.26Å; V113-L126 HydrophobicContact CG1-CD2 3.9Å; V113-L126 HydrophobicContact CG2-CD1 4.12Å; P121-L126 HydrophobicContact CB-CD2 4.05Å; P121-L126 HydrophobicContact CB-CG 4.47Å; P121-L126 HydrophobicContact CG-CD1 4.18Å; P121-L126 HydrophobicContact CG-CD2 3.62Å; P121-L126 HydrophobicContact CG-CG 4.16Å; L123-L126 HydrophobicContact CD2-CD1 4.38Å; L123-L126 WeakPolarHBondContact O-CB 3.01Å; L123-L126 PolarHBondContact O-N 2.96Å; L126-S128 PolarHBondContact O-N 3.5Å; L126-S128 VanDerWaalsContact O-N 3.12Å; L126-V129 HydrophobicContact CB-CB 4.14Å; L126-V129 HydrophobicContact CB-CG2 3.62Å; L126-V129 HydrophobicContact CD1-CG2 3.97Å; L126-V129 HydrophobicContact CG-CG2 4.46Å; L126-V129 WeakPolarHBondContact O-CB 3.4Å; L126-V129 PolarHBondContact O-N 2.79Å; L126-S130 PolarHBondContact O-N 3.13Å
127F84.8Confident84.9Confident115 Ų11554.4 Ų54.450%0.50433%0.329SS..Hα-helixtrans-60-25.8175.6-179.2-121000113.3M1 S125 V129 S130 Q131M1-F127 HydrophobicContact CB-CD1 4.39Å; M1-F127 HydrophobicContact CE-CB 3.85Å; M1-F127 HydrophobicContact CE-CD1 4.28Å; M1-F127 HydrophobicContact CG-CD1 3.6Å; M1-F127 HydrophobicContact CG-CE1 4.19Å; S125-F127 PolarHBondContact O-N 3.36Å; F127-V129 VanDerWaalsContact C-N 3.31Å; F127-V129 PolarHBondContact O-N 2.82Å; F127-S130 PolarHBondContact O-N 3.32Å; F127-Q131 HydrophobicContact CD1-CG 4.2Å; F127-Q131 HydrophobicContact CD2-CG 4.27Å; F127-Q131 HydrophobicContact CE1-CG 3.73Å; F127-Q131 HydrophobicContact CE2-CG 3.83Å; F127-Q131 HydrophobicContact CG-CG 4.43Å; F127-Q131 HydrophobicContact CZ-CG 3.52Å; F127-Q131 WeakPolarHBondContact O-CB 3.24Å; F127-Q131 WeakPolarHBondContact O-CG 3.09Å; F127-Q131 PolarHBondContact O-N 3.39Å
128S87.3Confident85.6Confident4 Ų452.4 Ų52.43%0.02831%0.313CS..Hα-helixtrans-68.8-27.9174.3590000113.3V112 L126 G132V112-S128 WeakPolarHBondContact O-CB 3.2Å; V112-S128 PolarHBondContact O-OG 3.23Å; L126-S128 PolarHBondContact O-N 3.5Å; L126-S128 VanDerWaalsContact O-N 3.12Å; S128-G132 PolarHBondContact O-N 2.95Å
129V89.3Confident86.2Confident10 Ų1046.1 Ų46.16%0.06128%0.28CS..Hα-helixtrans-66.8-53.5171.5172.90000109.2P96 L98 L123 L126 F127 Q131 G132 L133P96-V129 HydrophobicContact CB-CG2 4.43Å; P96-V129 HydrophobicContact CG-CG2 3.98Å; L98-V129 HydrophobicContact CD2-CB 4.35Å; L98-V129 HydrophobicContact CD2-CG1 3.84Å; L98-V129 HydrophobicContact CD2-CG2 4.26Å; L123-V129 HydrophobicContact CD2-CG2 3.85Å; L126-V129 HydrophobicContact CB-CB 4.14Å; L126-V129 HydrophobicContact CB-CG2 3.62Å; L126-V129 HydrophobicContact CD1-CG2 3.97Å; L126-V129 HydrophobicContact CG-CG2 4.46Å; L126-V129 WeakPolarHBondContact O-CB 3.4Å; L126-V129 PolarHBondContact O-N 2.79Å; F127-V129 VanDerWaalsContact C-N 3.31Å; F127-V129 PolarHBondContact O-N 2.82Å; V129-Q131 PolarHBondContact O-N 3.28Å; V129-G132 PolarHBondContact O-N 3.34Å; V129-L133 HydrophobicContact CG1-CD1 3.87Å; V129-L133 HydrophobicContact CG1-CG 4.41Å; V129-L133 VanDerWaalsContact O-CG 3.3Å; V129-L133 WeakPolarHBondContact O-CG 3.34Å; V129-L133 PolarHBondContact O-N 2.96Å
130S86.6Confident86.5Confident58 Ų5841.8 Ų41.841%0.40625%0.249SC..Hα-helixtrans-57.8-48.5179.2-51.90000112.1L126 F127 G132 L133 T134L126-S130 PolarHBondContact O-N 3.13Å; F127-S130 PolarHBondContact O-N 3.32Å; S130-G132 PolarHBondContact O-N 3.36Å; S130-L133 PolarHBondContact O-N 3.21Å; S130-T134 WeakPolarHBondContact O-CB 3.28Å; S130-T134 PolarHBondContact O-N 3.13Å; S130-T134 PolarHBondContact O-OG1 3.18Å
131Q87.7Confident86.4Confident44 Ų4439.4 Ų39.421%0.20625%0.251CS..Hα-helixtrans-62.9-40.7177.8-75.1-162.8-31.600113.2F127 V129 T134 L135F127-Q131 HydrophobicContact CD1-CG 4.2Å; F127-Q131 HydrophobicContact CD2-CG 4.27Å; F127-Q131 HydrophobicContact CE1-CG 3.73Å; F127-Q131 HydrophobicContact CE2-CG 3.83Å; F127-Q131 HydrophobicContact CG-CG 4.43Å; F127-Q131 HydrophobicContact CZ-CG 3.52Å; F127-Q131 WeakPolarHBondContact O-CB 3.24Å; F127-Q131 WeakPolarHBondContact O-CG 3.09Å; F127-Q131 PolarHBondContact O-N 3.39Å; V129-Q131 PolarHBondContact O-N 3.28Å; Q131-T134 PolarHBondContact O-N 3.16Å; Q131-L135 WeakPolarHBondContact O-CB 3.41Å; Q131-L135 PolarHBondContact O-N 2.88Å
132G90.5Very high86.3Confident1 Ų140.3 Ų40.31%0.0125%0.252CS..Hα-helixtrans-64.3-44.1177.500000111.7S128 V129 S130 L135 L136S128-G132 PolarHBondContact O-N 2.95Å; V129-G132 PolarHBondContact O-N 3.34Å; S130-G132 PolarHBondContact O-N 3.36Å; G132-L135 WeakPolarHBondContact O-CB 3.42Å; G132-L135 PolarHBondContact O-N 3.12Å; G132-L136 VanDerWaalsContact O-CG 3.31Å; G132-L136 WeakPolarHBondContact O-CG 3.45Å; G132-L136 PolarHBondContact O-N 2.81Å
133L89.8Confident86.3Confident42 Ų4235.8 Ų35.822%0.2222%0.223CC..Hα-helixtrans-63.9-41.2175.3-66.2173.1000112.2P80 L98 I100 V129 S130 L136 A137P80-L133 HydrophobicContact CB-CD1 4.43Å; P80-L133 HydrophobicContact CB-CD2 3.57Å; P80-L133 HydrophobicContact CG-CD1 3.63Å; P80-L133 HydrophobicContact CG-CD2 3.73Å; P80-L133 HydrophobicContact CG-CG 4.33Å; L98-L133 HydrophobicContact CB-CD2 4.2Å; L98-L133 HydrophobicContact CD1-CG 4.47Å; L98-L133 HydrophobicContact CD2-CD2 4.34Å; L98-L133 HydrophobicContact CD2-CG 4.45Å; I100-L133 HydrophobicContact CG2-CD2 4.35Å; V129-L133 HydrophobicContact CG1-CD1 3.87Å; V129-L133 HydrophobicContact CG1-CG 4.41Å; V129-L133 VanDerWaalsContact O-CG 3.3Å; V129-L133 WeakPolarHBondContact O-CG 3.34Å; V129-L133 PolarHBondContact O-N 2.96Å; S130-L133 PolarHBondContact O-N 3.21Å; L133-L136 PolarHBondContact O-N 2.86Å; L133-A137 WeakPolarHBondContact O-CB 3.39Å; L133-A137 PolarHBondContact O-N 3.5Å
134T86.9Confident85.9Confident85 Ų8535.7 Ų35.752%0.52123%0.226SC..Hα-helixtrans-58.8-48.7173.5-57.80000110.5S130 Q131 L136 A137 G138 I178S130-T134 WeakPolarHBondContact O-CB 3.28Å; S130-T134 PolarHBondContact O-N 3.13Å; S130-T134 PolarHBondContact O-OG1 3.18Å; Q131-T134 PolarHBondContact O-N 3.16Å; T134-L136 PolarHBondContact O-N 3.42Å; T134-A137 PolarHBondContact O-N 2.85Å; T134-G138 PolarHBondContact O-N 3.4Å; T134-I178 VanDerWaalsContact C-CD1 3.41Å; T134-I178 HydrophobicContact CG2-CD1 3.66Å; T134-I178 WeakPolarHBondContact O-CD1 3.38Å
135L89.9Confident85.3Confident2 Ų233.6 Ų33.61%0.0121%0.211CC..Hα-helixtrans-56.1-48.7176.2175.165.6000111.7V3 Q131 G132 G138 L139 I169 C170 P175V3-L135 HydrophobicContact CG2-CD2 4.22Å; Q131-L135 WeakPolarHBondContact O-CB 3.41Å; Q131-L135 PolarHBondContact O-N 2.88Å; G132-L135 WeakPolarHBondContact O-CB 3.42Å; G132-L135 PolarHBondContact O-N 3.12Å; L135-G138 PolarHBondContact O-N 3.07Å; L135-L139 HydrophobicContact CD1-CD1 4.09Å; L135-L139 HydrophobicContact CD1-CG 4.25Å; L135-L139 HydrophobicContact CG-CD1 4.09Å; L135-L139 WeakPolarHBondContact O-CB 3.42Å; L135-L139 WeakPolarHBondContact O-CG 3.26Å; L135-L139 PolarHBondContact O-N 3.49Å; L135-I169 HydrophobicContact CD1-CD1 3.77Å; L135-I169 HydrophobicContact CD1-CG1 4.26Å; L135-C170 HydrophobicContact CD1-CB 4.42Å; L135-C170 HydrophobicContact CD2-CB 4.42Å; L135-P175 HydrophobicContact CB-CB 4.44Å; L135-P175 HydrophobicContact CD2-CG 4.17Å
136L91.4Very high84.1Confident0 Ų035.7 Ų35.70%023%0.226CC..Hα-helixtrans-61.9-47.8179.5-66.3-175.3000111.3L6 L98 I100 L107 C109 G132 L133 T134 G138 L139 Q140L6-L136 HydrophobicContact CD1-CD2 3.59Å; L98-L136 HydrophobicContact CB-CD1 3.95Å; L98-L136 WeakPolarHBondContact O-CD1 3.32Å; I100-L136 HydrophobicContact CD1-CB 3.54Å; I100-L136 VanDerWaalsContact CD1-O 3.32Å; I100-L136 WeakPolarHBondContact CD1-O 3.5Å; I100-L136 HydrophobicContact CG1-CB 3.89Å; I100-L136 HydrophobicContact CG1-CD1 4.45Å; I100-L136 HydrophobicContact CG2-CB 4.45Å; I100-L136 HydrophobicContact CG2-CD1 4.48Å; L107-L136 HydrophobicContact CB-CD2 4.11Å; C109-L136 HydrophobicContact CB-CD2 3.8Å; C109-L136 HydrophobicContact CB-CG 4.33Å; G132-L136 VanDerWaalsContact O-CG 3.31Å; G132-L136 WeakPolarHBondContact O-CG 3.45Å; G132-L136 PolarHBondContact O-N 2.81Å; L133-L136 PolarHBondContact O-N 2.86Å; T134-L136 PolarHBondContact O-N 3.42Å; L136-G138 VanDerWaalsContact C-N 3.31Å; L136-G138 PolarHBondContact O-N 3.39Å; L136-L139 PolarHBondContact O-N 3.01Å; L136-Q140 WeakPolarHBondContact O-CB 3.34Å; L136-Q140 PolarHBondContact O-N 3.49Å
137A86.1Confident82.4Confident46 Ų4637.7 Ų37.738%0.3825%0.249SC..Hα-helixtrans-61.4-40-179.400000112L133 T134 Q140 A141L133-A137 WeakPolarHBondContact O-CB 3.39Å; L133-A137 PolarHBondContact O-N 3.5Å; T134-A137 PolarHBondContact O-N 2.85Å; A137-Q140 PolarHBondContact O-N 3.21Å; A137-A141 WeakPolarHBondContact O-CB 3.48Å; A137-A141 PolarHBondContact O-N 3.29Å
138G83.7Confident80.5Confident15 Ų1538.5 Ų38.516%0.15527%0.269CS..Hα-helixtrans-67.6-41.6175.200000113.9T134 L135 L136 Q140 A141 F142T134-G138 PolarHBondContact O-N 3.4Å; L135-G138 PolarHBondContact O-N 3.07Å; L136-G138 VanDerWaalsContact C-N 3.31Å; L136-G138 PolarHBondContact O-N 3.39Å; G138-Q140 VanDerWaalsContact C-N 3.31Å; G138-Q140 PolarHBondContact O-N 3.13Å; G138-A141 PolarHBondContact O-N 3.39Å; G138-F142 WeakPolarHBondContact O-CB 3.45Å; G138-F142 PolarHBondContact O-N 3.5Å
139L87.7Confident78.9Confident2 Ų246.6 Ų46.61%0.0130%0.304CS..Hα-helixtrans-62.5-40.6173-74.9174.4000111.4L6 L107 L135 L136 F142 L143 M162 L166 I169L6-L139 HydrophobicContact CD1-CD1 3.88Å; L6-L139 HydrophobicContact CD2-CD1 3.75Å; L6-L139 HydrophobicContact CG-CD1 4.45Å; L107-L139 HydrophobicContact CD2-CB 3.65Å; L135-L139 HydrophobicContact CD1-CD1 4.09Å; L135-L139 HydrophobicContact CD1-CG 4.25Å; L135-L139 HydrophobicContact CG-CD1 4.09Å; L135-L139 WeakPolarHBondContact O-CB 3.42Å; L135-L139 WeakPolarHBondContact O-CG 3.26Å; L135-L139 PolarHBondContact O-N 3.49Å; L136-L139 PolarHBondContact O-N 3.01Å; L139-F142 PolarHBondContact O-N 2.89Å; L139-L143 WeakPolarHBondContact O-CB 3.47Å; L139-L143 WeakPolarHBondContact O-CG 3.3Å; L139-L143 PolarHBondContact O-N 2.85Å; L139-M162 HydrophobicContact CD2-CE 4.3Å; L139-M162 HydrophobicContact CD2-SD 3.91Å; L139-L166 HydrophobicContact CD1-CD2 4.36Å; L139-L166 HydrophobicContact CD2-CD2 4.35Å; L139-I169 HydrophobicContact CD2-CD1 3.77Å; L139-I169 HydrophobicContact CG-CD1 4.31Å
140Q86.3Confident77.4Confident27 Ų2751.1 Ų51.113%0.12633%0.334CS..Hα-helixtrans-61.7-49.1175175.7179.766.900111.3I100 Q102 L107 L136 A137 G138 F142 L143 C144I100-Q140 HydrophobicContact CD1-CB 3.82Å; I100-Q140 HydrophobicContact CD1-CG 4.39Å; Q102-Q140 HydrophobicContact CB-CG 4.47Å; L107-Q140 HydrophobicContact CD1-CB 4.4Å; L107-Q140 HydrophobicContact CD2-CB 4.06Å; L136-Q140 WeakPolarHBondContact O-CB 3.34Å; L136-Q140 PolarHBondContact O-N 3.49Å; A137-Q140 PolarHBondContact O-N 3.21Å; G138-Q140 VanDerWaalsContact C-N 3.31Å; G138-Q140 PolarHBondContact O-N 3.13Å; Q140-F142 VanDerWaalsContact C-N 3.28Å; Q140-F142 PolarHBondContact O-N 2.83Å; Q140-L143 PolarHBondContact O-N 2.87Å; Q140-C144 VanDerWaalsContact O-CB 3.32Å; Q140-C144 WeakPolarHBondContact O-CB 3.48Å; Q140-C144 PolarHBondContact O-N 2.85Å; Q140-C144 PolarHBondContact O-SG 2.93Å; Q140-C144 VanDerWaalsContact O-SG 3.36Å
141A80.6Confident76.7Confident50 Ų5052.2 Ų52.241%0.41334%0.335SS..Hα-helixtrans-58.8-41.3176.600000111.9A137 G138 G145A137-A141 WeakPolarHBondContact O-CB 3.48Å; A137-A141 PolarHBondContact O-N 3.29Å; G138-A141 PolarHBondContact O-N 3.39Å; A141-G145 PolarHBondContact O-N 3.42Å; A141-G145 VanDerWaalsContact O-N 3.1Å
142F82.9Confident76Confident42 Ų4256.6 Ų56.618%0.18435%0.35CS..Hα-helixtrans-61.5-53174177-96000111.4G138 L139 Q140 C144 G145 R158 M161 M162 I165G138-F142 WeakPolarHBondContact O-CB 3.45Å; G138-F142 PolarHBondContact O-N 3.5Å; L139-F142 PolarHBondContact O-N 2.89Å; Q140-F142 VanDerWaalsContact C-N 3.28Å; Q140-F142 PolarHBondContact O-N 2.83Å; F142-C144 PolarHBondContact O-N 3.31Å; F142-G145 PolarHBondContact O-N 3.02Å; F142-R158 HydrophobicContact CD1-CB 4.29Å; F142-R158 HydrophobicContact CE1-CB 3.56Å; F142-R158 HydrophobicContact CE1-CG 3.85Å; F142-R158 HydrophobicContact CZ-CB 4.04Å; F142-R158 HydrophobicContact CZ-CG 3.85Å; F142-R158 WeakPolarHBondContact O-CD 3.29Å; F142-R158 PolarHBondContact O-NE 2.96Å; F142-R158 VanDerWaalsContact O-NE 3.15Å; F142-M161 HydrophobicContact CZ-CE 4.12Å; F142-M162 HydrophobicContact CD1-CE 3.21Å; F142-M162 HydrophobicContact CE1-CE 3.14Å; F142-M162 HydrophobicContact CG-CE 4.4Å; F142-M162 HydrophobicContact CZ-CE 4.29Å; F142-I165 HydrophobicContact CD1-CD1 4.22Å; F142-I165 HydrophobicContact CD2-CD1 4.42Å; F142-I165 HydrophobicContact CE1-CD1 3.41Å; F142-I165 VanDerWaalsContact CE1-CD1 3.41Å; F142-I165 HydrophobicContact CE2-CD1 3.66Å; F142-I165 HydrophobicContact CZ-CD1 3.09Å
143L84Confident75.2Confident1 Ų164.4 Ų64.41%0.00539%0.386CS..Hα-helixtrans-65.4-40.7-175.3-69.7168.2000112.9I8 L105 L107 L139 Q140 L155 R158 L159 M162I8-L143 HydrophobicContact CD1-CD1 3.73Å; I8-L143 HydrophobicContact CG1-CD1 4.29Å; I8-L143 HydrophobicContact CG2-CD1 4.04Å; L105-L143 HydrophobicContact CD1-CB 4.25Å; L107-L143 HydrophobicContact CD1-CD1 4.48Å; L107-L143 HydrophobicContact CD2-CD1 4.04Å; L107-L143 HydrophobicContact CG-CD1 4.48Å; L139-L143 WeakPolarHBondContact O-CB 3.47Å; L139-L143 WeakPolarHBondContact O-CG 3.3Å; L139-L143 PolarHBondContact O-N 2.85Å; Q140-L143 PolarHBondContact O-N 2.87Å; L143-L155 HydrophobicContact CB-CD1 3.94Å; L143-L155 HydrophobicContact CD2-CD1 4.03Å; L143-R158 HydrophobicContact CD2-CB 4.33Å; L143-R158 VanDerWaalsContact O-CZ 3.29Å; L143-R158 PolarHBondContact O-NE 3.02Å; L143-R158 PolarHBondContact O-NH2 3.43Å; L143-L159 HydrophobicContact CD2-CD2 3.74Å; L143-L159 HydrophobicContact CD2-CG 4.02Å; L143-M162 HydrophobicContact CD2-CE 3.93Å; L143-M162 HydrophobicContact CD2-CG 4.47Å; L143-M162 HydrophobicContact CD2-SD 4.23Å; L143-M162 HydrophobicContact CG-CE 4.48Å
144C77.2Confident74.8Confident45 Ų4563 Ų6330%0.30438%0.381SS..Hα-helixtrans-74.4-28.7179.9-66.10000112.7Q140 F142Q140-C144 VanDerWaalsContact O-CB 3.32Å; Q140-C144 WeakPolarHBondContact O-CB 3.48Å; Q140-C144 PolarHBondContact O-N 2.85Å; Q140-C144 PolarHBondContact O-SG 2.93Å; Q140-C144 VanDerWaalsContact O-SG 3.36Å; F142-C144 PolarHBondContact O-N 3.31Å
145G68.8Low74.6Confident29 Ų2960.6 Ų60.630%0.29937%0.365SS..  trans70.4-179-175.600000113.1A141 F142 G147A141-G145 PolarHBondContact O-N 3.42Å; A141-G145 VanDerWaalsContact O-N 3.1Å; F142-G145 PolarHBondContact O-N 3.02Å; G145-G147 VanDerWaalsContact C-N 3.29Å; G145-G147 PolarHBondContact O-N 2.85Å
146S56.9Low74.4Confident121 Ų12165 Ų6585%0.84639%0.392SS*.SBendtrans-855-178.662.10000114.5
147G52Low74.1Confident53 Ų5368.3 Ų68.355%0.54642%0.415SS..  trans-92.8146.9-175.500000113.7G145 K149G145-G147 VanDerWaalsContact C-N 3.29Å; G145-G147 PolarHBondContact O-N 2.85Å; G147-K149 VanDerWaalsContact C-N 3.27Å; G147-K149 PolarHBondContact O-N 2.85Å
148S44.1Very low74.2Confident132 Ų13268.2 Ų68.292%0.92341%0.405SS*.SBendtrans-77.1-4.8178.956.90000115
149K54.2Low74.4Confident174 Ų17468.8 Ų68.876%0.75740%0.404SS*.SBendtrans-122.3145.7179.6-71.8-173.4178.4-178.20111.3G147 D151G147-K149 VanDerWaalsContact C-N 3.27Å; G147-K149 PolarHBondContact O-N 2.85Å; K149-D151 PolarHBondContact O-N 2.86Å
150P58.6Low74.4Confident105 Ų10572.5 Ų72.568%0.68244%0.435SS*.  trans-66104.4176.326.7-32.8000110.4R152P150-R152 PolarHBondContact O-N 2.92Å
151D71.4Confident74.5Confident81 Ų8174.1 Ų74.143%0.43344%0.444SS..  trans-82.794.8172176.711.7000109.3K149 E153 G154 L155K149-D151 PolarHBondContact O-N 2.86Å; D151-E153 VanDerWaalsContact C-N 3.31Å; D151-E153 PolarHBondContact O-N 3.15Å; D151-E153 PolarHBondContact OD1-N 3.22Å; D151-G154 VanDerWaalsContact CG-N 3.26Å; D151-G154 PolarHBondContact O-N 2.9Å; D151-G154 PolarHBondContact OD1-N 3.09Å; D151-G154 VanDerWaalsContact OD2-CA 3.23Å; D151-G154 WeakPolarHBondContact OD2-CA 3.3Å; D151-G154 PolarHBondContact OD2-N 2.9Å; D151-L155 VanDerWaalsContact O-CB 3.3Å; D151-L155 WeakPolarHBondContact O-CB 3.35Å; D151-L155 PolarHBondContact O-N 3.35Å
152R73.2Confident75Confident136 Ų13671.8 Ų71.851%0.51342%0.424SS..Hα-helixtrans-63.1-36.3-178.2-70.2178.177.3106.7-14.7112.2E12 P150 T156E12-R152 IonicContact OE1-NH1 3.07Å; E12-R152 PolarHBondContact OE1-NH1 3.38Å; E12-R152 IonicContact OE2-NH1 2.89Å; E12-R152 PolarHBondContact OE2-NH1 2.81Å; P150-R152 PolarHBondContact O-N 2.92Å; R152-T156 PolarHBondContact O-N 2.8Å; R152-T156 VanDerWaalsContact O-N 3.13Å; R152-T156 PolarHBondContact O-OG1 2.94Å
153E73.9Confident75.3Confident164 Ų16472.9 Ų72.977%0.76644%0.435SS*.Hα-helixtrans-71.3-46.4177.8-71-177.2177.200110.7D151 L155 T156 S157D151-E153 VanDerWaalsContact C-N 3.31Å; D151-E153 PolarHBondContact O-N 3.15Å; D151-E153 PolarHBondContact OD1-N 3.22Å; E153-L155 VanDerWaalsContact C-N 3.34Å; E153-L155 PolarHBondContact O-N 2.86Å; E153-T156 PolarHBondContact O-N 2.85Å; E153-S157 PolarHBondContact O-N 2.92Å; E153-S157 VanDerWaalsContact O-N 3.07Å
154G80.9Confident75.5Confident12 Ų1275.4 Ų75.412%0.12445%0.453CS..Hα-helixtrans-61.1-39.8174.500000113.1D151 T156 S157 R158D151-G154 VanDerWaalsContact CG-N 3.26Å; D151-G154 PolarHBondContact O-N 2.9Å; D151-G154 PolarHBondContact OD1-N 3.09Å; D151-G154 VanDerWaalsContact OD2-CA 3.23Å; D151-G154 WeakPolarHBondContact OD2-CA 3.3Å; D151-G154 PolarHBondContact OD2-N 2.9Å; G154-T156 VanDerWaalsContact C-N 3.35Å; G154-T156 PolarHBondContact O-N 2.96Å; G154-S157 PolarHBondContact O-N 2.91Å; G154-R158 WeakPolarHBondContact O-CB 3.35Å; G154-R158 VanDerWaalsContact O-CG 3.27Å; G154-R158 WeakPolarHBondContact O-CG 3.28Å; G154-R158 PolarHBondContact O-N 3.3Å
155L83.5Confident75.9Confident36 Ų3674 Ų7419%0.18844%0.442CS..Hα-helixtrans-61.2-43.6174.9177.761.7000111.5L105 L143 D151 E153 R158 L159L105-L155 HydrophobicContact CD1-CD1 3.85Å; L105-L155 HydrophobicContact CD1-CD2 4.23Å; L105-L155 HydrophobicContact CD2-CD2 4.3Å; L143-L155 HydrophobicContact CB-CD1 3.94Å; L143-L155 HydrophobicContact CD2-CD1 4.03Å; D151-L155 VanDerWaalsContact O-CB 3.3Å; D151-L155 WeakPolarHBondContact O-CB 3.35Å; D151-L155 PolarHBondContact O-N 3.35Å; E153-L155 VanDerWaalsContact C-N 3.34Å; E153-L155 PolarHBondContact O-N 2.86Å; L155-R158 PolarHBondContact O-N 3.04Å; L155-L159 HydrophobicContact CD1-CD1 4.2Å; L155-L159 HydrophobicContact CD1-CG 4.17Å; L155-L159 HydrophobicContact CG-CD1 4.01Å; L155-L159 HydrophobicContact CG-CG 4.42Å; L155-L159 WeakPolarHBondContact O-CB 3.27Å; L155-L159 WeakPolarHBondContact O-CG 3.23Å; L155-L159 PolarHBondContact O-N 2.87Å
156T85Confident76.9Confident95 Ų9572.9 Ų72.958%0.58343%0.429SS*.Hα-helixtrans-62.1-45.3178.8-570000111.3R152 E153 G154 R158 L159 A160R152-T156 PolarHBondContact O-N 2.8Å; R152-T156 VanDerWaalsContact O-N 3.13Å; R152-T156 PolarHBondContact O-OG1 2.94Å; E153-T156 PolarHBondContact O-N 2.85Å; G154-T156 VanDerWaalsContact C-N 3.35Å; G154-T156 PolarHBondContact O-N 2.96Å; T156-R158 PolarHBondContact O-N 3.17Å; T156-L159 PolarHBondContact O-N 2.77Å; T156-A160 PolarHBondContact O-N 2.84Å
157S85.4Confident78.3Confident68 Ų6872.5 Ų72.548%0.47642%0.418SS..Hα-helixtrans-61.3-43.3175.6179.80000112.1E153 G154 A160 M161E153-S157 PolarHBondContact O-N 2.92Å; E153-S157 VanDerWaalsContact O-N 3.07Å; G154-S157 PolarHBondContact O-N 2.91Å; S157-A160 WeakPolarHBondContact O-CB 3.29Å; S157-A160 PolarHBondContact O-N 3.04Å; S157-M161 PolarHBondContact O-N 3.29Å
158R87.3Confident79.8Confident44 Ų4475.6 Ų75.617%0.16642%0.418CS..Hα-helixtrans-67.2-38.8178-73.6-170.2-68.1-94.54.7113F142 L143 G154 L155 T156 A160 M161 M162F142-R158 HydrophobicContact CD1-CB 4.29Å; F142-R158 HydrophobicContact CE1-CB 3.56Å; F142-R158 HydrophobicContact CE1-CG 3.85Å; F142-R158 HydrophobicContact CZ-CB 4.04Å; F142-R158 HydrophobicContact CZ-CG 3.85Å; F142-R158 WeakPolarHBondContact O-CD 3.29Å; F142-R158 PolarHBondContact O-NE 2.96Å; F142-R158 VanDerWaalsContact O-NE 3.15Å; L143-R158 HydrophobicContact CD2-CB 4.33Å; L143-R158 VanDerWaalsContact O-CZ 3.29Å; L143-R158 PolarHBondContact O-NE 3.02Å; L143-R158 PolarHBondContact O-NH2 3.43Å; G154-R158 WeakPolarHBondContact O-CB 3.35Å; G154-R158 VanDerWaalsContact O-CG 3.27Å; G154-R158 WeakPolarHBondContact O-CG 3.28Å; G154-R158 PolarHBondContact O-N 3.3Å; L155-R158 PolarHBondContact O-N 3.04Å; T156-R158 PolarHBondContact O-N 3.17Å; R158-A160 VanDerWaalsContact C-N 3.34Å; R158-M161 HydrophobicContact CG-CE 4.07Å; R158-M161 PolarHBondContact O-N 2.99Å; R158-M162 PolarHBondContact O-N 2.89Å
159L88.8Confident81.8Confident28 Ų2869.4 Ų69.415%0.14737%0.374CS..Hα-helixtrans-62.2-40.5172.1-77.2170.6000111.7I8 R20 F21 L143 L155 T156 M161 M162I8-L159 HydrophobicContact CD1-CD2 3.99Å; I8-L159 HydrophobicContact CG2-CD2 4.15Å; R20-L159 HydrophobicContact CB-CD1 4.17Å; F21-L159 HydrophobicContact CB-CD2 4.44Å; L143-L159 HydrophobicContact CD2-CD2 3.74Å; L143-L159 HydrophobicContact CD2-CG 4.02Å; L155-L159 HydrophobicContact CD1-CD1 4.2Å; L155-L159 HydrophobicContact CD1-CG 4.17Å; L155-L159 HydrophobicContact CG-CD1 4.01Å; L155-L159 HydrophobicContact CG-CG 4.42Å; L155-L159 WeakPolarHBondContact O-CB 3.27Å; L155-L159 WeakPolarHBondContact O-CG 3.23Å; L155-L159 PolarHBondContact O-N 2.87Å; T156-L159 PolarHBondContact O-N 2.77Å; L159-M161 PolarHBondContact O-N 3.34Å; L159-M162 HydrophobicContact CD2-CG 4.28Å; L159-M162 VanDerWaalsContact O-CB 3.23Å; L159-M162 WeakPolarHBondContact O-CB 3.46Å; L159-M162 WeakPolarHBondContact O-CG 3.2Å; L159-M162 PolarHBondContact O-N 3.06Å
160A88.2Confident83.5Confident79 Ų7961.1 Ų61.165%0.65334%0.338SS*.Hα-helixtrans-62.8-28.8176.100000112.8T156 S157 R158 P163T156-A160 PolarHBondContact O-N 2.84Å; S157-A160 WeakPolarHBondContact O-CB 3.29Å; S157-A160 PolarHBondContact O-N 3.04Å; R158-A160 VanDerWaalsContact C-N 3.34Å; A160-P163 WeakPolarHBondContact O-CD 3.29Å
161M88.7Confident85Confident62 Ų6258.1 Ų58.131%0.30532%0.319SS..THydrogen-bonded Turntrans-82.3-7174.6-65.8-173.4-74.900114.1F142 S157 R158 L159 S164 I165F142-M161 HydrophobicContact CZ-CE 4.12Å; S157-M161 PolarHBondContact O-N 3.29Å; R158-M161 HydrophobicContact CG-CE 4.07Å; R158-M161 PolarHBondContact O-N 2.99Å; L159-M161 PolarHBondContact O-N 3.34Å; M161-S164 PolarHBondContact O-N 2.75Å; M161-S164 PolarHBondContact O-OG 2.75Å; M161-I165 HydrophobicContact CB-CD1 3.83Å; M161-I165 HydrophobicContact CB-CG1 4.46Å; M161-I165 WeakPolarHBondContact O-CG1 3.47Å; M161-I165 PolarHBondContact O-N 3.21Å; M161-I165 VanDerWaalsContact O-N 3.08Å
162M89.9Confident85.9Confident0 Ų060.2 Ų60.20%033%0.329CS..Hα-helixtrans-55.1-44-177.6-76.2-68.7105.900114.6I8 F21 L139 F142 L143 R158 L159 S164 I165 L166I8-M162 HydrophobicContact CD1-CG 4.09Å; I8-M162 HydrophobicContact CD1-SD 3.88Å; F21-M162 HydrophobicContact CD2-CB 3.87Å; F21-M162 HydrophobicContact CE1-CB 4.4Å; F21-M162 HydrophobicContact CE2-CB 3.7Å; F21-M162 HydrophobicContact CG-CB 4.3Å; F21-M162 HydrophobicContact CZ-CB 3.99Å; L139-M162 HydrophobicContact CD2-CE 4.3Å; L139-M162 HydrophobicContact CD2-SD 3.91Å; F142-M162 HydrophobicContact CD1-CE 3.21Å; F142-M162 HydrophobicContact CE1-CE 3.14Å; F142-M162 HydrophobicContact CG-CE 4.4Å; F142-M162 HydrophobicContact CZ-CE 4.29Å; L143-M162 HydrophobicContact CD2-CE 3.93Å; L143-M162 HydrophobicContact CD2-CG 4.47Å; L143-M162 HydrophobicContact CD2-SD 4.23Å; L143-M162 HydrophobicContact CG-CE 4.48Å; R158-M162 PolarHBondContact O-N 2.89Å; L159-M162 HydrophobicContact CD2-CG 4.28Å; L159-M162 VanDerWaalsContact O-CB 3.23Å; L159-M162 WeakPolarHBondContact O-CB 3.46Å; L159-M162 WeakPolarHBondContact O-CG 3.2Å; L159-M162 PolarHBondContact O-N 3.06Å; M162-S164 VanDerWaalsContact C-N 3.33Å; M162-S164 PolarHBondContact O-N 3.22Å; M162-I165 HydrophobicContact CE-CD1 3.93Å; M162-I165 PolarHBondContact O-N 3.27Å; M162-L166 WeakPolarHBondContact O-CB 3.39Å; M162-L166 WeakPolarHBondContact O-CG 3.4Å; M162-L166 PolarHBondContact O-N 2.95Å
163P90Very high86.6Confident65 Ų6553.7 Ų53.742%0.42231%0.305SS..Hα-helixtrans-58.5-42.7179.4-24.233.4000113.3F21 A160 L167F21-P163 HydrophobicContact CE2-CG 4.09Å; A160-P163 WeakPolarHBondContact O-CD 3.29Å; P163-L167 WeakPolarHBondContact O-CG 3.33Å; P163-L167 PolarHBondContact O-N 2.87Å
164S86.8Confident87.3Confident55 Ų5548.4 Ų48.439%0.38528%0.283SS..Hα-helixtrans-73.5-37.9-179.256.50000111.9M161 M162 L167M161-S164 PolarHBondContact O-N 2.75Å; M161-S164 PolarHBondContact O-OG 2.75Å; M162-S164 VanDerWaalsContact C-N 3.33Å; M162-S164 PolarHBondContact O-N 3.22Å; S164-L167 PolarHBondContact O-N 2.88Å
165I87.1Confident87.6Confident15 Ų1548.4 Ų48.48%0.07728%0.281CS..Hα-helixtrans-64.5-47177-69.9168.1000110.7F142 M161 M162 L167 Q168 I169 P179F142-I165 HydrophobicContact CD1-CD1 4.22Å; F142-I165 HydrophobicContact CD2-CD1 4.42Å; F142-I165 HydrophobicContact CE1-CD1 3.41Å; F142-I165 VanDerWaalsContact CE1-CD1 3.41Å; F142-I165 HydrophobicContact CE2-CD1 3.66Å; F142-I165 HydrophobicContact CZ-CD1 3.09Å; M161-I165 HydrophobicContact CB-CD1 3.83Å; M161-I165 HydrophobicContact CB-CG1 4.46Å; M161-I165 WeakPolarHBondContact O-CG1 3.47Å; M161-I165 PolarHBondContact O-N 3.21Å; M161-I165 VanDerWaalsContact O-N 3.08Å; M162-I165 HydrophobicContact CE-CD1 3.93Å; M162-I165 PolarHBondContact O-N 3.27Å; I165-L167 PolarHBondContact O-N 2.86Å; I165-Q168 WeakPolarHBondContact O-CA 3.4Å; I165-Q168 WeakPolarHBondContact O-CB 3.42Å; I165-Q168 PolarHBondContact O-N 3.22Å; I165-I169 HydrophobicContact CG2-CD1 3.87Å; I165-I169 HydrophobicContact CG2-CG1 4.13Å; I165-I169 HydrophobicContact CG2-CG2 4.08Å; I165-I169 WeakPolarHBondContact O-CG1 3.46Å; I165-I169 WeakPolarHBondContact O-CG2 3.29Å; I165-I169 PolarHBondContact O-N 3.36Å; I165-P179 HydrophobicContact CG2-CG 4.37Å
166L88.6Confident87.5Confident5 Ų551.1 Ų51.13%0.02630%0.296CS..Hα-helixtrans-62.8-28.4179.5-73.4175.9000113.4L6 F21 R23 L139 M162 Q168 I169 C170L6-L166 HydrophobicContact CD2-CD1 3.68Å; L6-L166 HydrophobicContact CD2-CD2 3.8Å; L6-L166 HydrophobicContact CD2-CG 4.39Å; F21-L166 HydrophobicContact CE1-CD1 3.38Å; F21-L166 HydrophobicContact CZ-CD1 3.52Å; R23-L166 HydrophobicContact CB-CD1 4.2Å; R23-L166 HydrophobicContact CG-CD1 4.34Å; L139-L166 HydrophobicContact CD1-CD2 4.36Å; L139-L166 HydrophobicContact CD2-CD2 4.35Å; M162-L166 WeakPolarHBondContact O-CB 3.39Å; M162-L166 WeakPolarHBondContact O-CG 3.4Å; M162-L166 PolarHBondContact O-N 2.95Å; L166-Q168 PolarHBondContact O-N 3.5Å; L166-I169 HydrophobicContact CD2-CD1 4.24Å; L166-I169 HydrophobicContact CD2-CG1 4.1Å; L166-I169 PolarHBondContact O-N 2.87Å; L166-C170 HydrophobicContact CD2-CB 4.16Å; L166-C170 CarbonylContact O-C 3.57Å; L166-C170 WeakPolarHBondContact O-CA 3.42Å; L166-C170 PolarHBondContact O-N 3.22Å
167L87.2Confident86.7Confident114 Ų11453.4 Ų53.460%0.59730%0.304SS*.Hα-helixtrans-65.2-27.9172.1-71.4172.1000112.8P163 S164 I165P163-L167 WeakPolarHBondContact O-CG 3.33Å; P163-L167 PolarHBondContact O-N 2.87Å; S164-L167 PolarHBondContact O-N 2.88Å; I165-L167 PolarHBondContact O-N 2.86Å
168Q84.1Confident85.6Confident117 Ų11752.5 Ų52.555%0.54729%0.293SS..Hα-helixtrans-86.5-37.5177.7-64.3178.9-15.500111.9I165 L166I165-Q168 WeakPolarHBondContact O-CA 3.4Å; I165-Q168 WeakPolarHBondContact O-CB 3.42Å; I165-Q168 PolarHBondContact O-N 3.22Å; L166-Q168 PolarHBondContact O-N 3.5Å
169I85.9Confident83.9Confident3 Ų352.1 Ų52.12%0.01530%0.297CS..Hα-helixtrans-107.9-18.4-163.976.9163.5000113.2L135 L139 I165 L166 P175 L176 P179L135-I169 HydrophobicContact CD1-CD1 3.77Å; L135-I169 HydrophobicContact CD1-CG1 4.26Å; L139-I169 HydrophobicContact CD2-CD1 3.77Å; L139-I169 HydrophobicContact CG-CD1 4.31Å; I165-I169 HydrophobicContact CG2-CD1 3.87Å; I165-I169 HydrophobicContact CG2-CG1 4.13Å; I165-I169 HydrophobicContact CG2-CG2 4.08Å; I165-I169 WeakPolarHBondContact O-CG1 3.46Å; I165-I169 WeakPolarHBondContact O-CG2 3.29Å; I165-I169 PolarHBondContact O-N 3.36Å; L166-I169 HydrophobicContact CD2-CD1 4.24Å; L166-I169 HydrophobicContact CD2-CG1 4.1Å; L166-I169 PolarHBondContact O-N 2.87Å; I169-P175 CarbonylContact O-C 3.54Å; I169-P175 WeakPolarHBondContact O-CA 3.24Å; I169-L176 PolarHBondContact O-N 3.36Å; I169-P179 HydrophobicContact CB-CG 4.44Å; I169-P179 HydrophobicContact CG2-CG 3.13Å
170C89.9Confident82.2Confident0 Ų053.3 Ų53.30%030%0.302CS..SBendtrans-143.250.5176.8-162.10000110.9Y25 L135 L166 L172 G173 T174Y25-C170 WeakPolarHBondContact CE1-O 3.48Å; L135-C170 HydrophobicContact CD1-CB 4.42Å; L135-C170 HydrophobicContact CD2-CB 4.42Å; L166-C170 HydrophobicContact CD2-CB 4.16Å; L166-C170 CarbonylContact O-C 3.57Å; L166-C170 WeakPolarHBondContact O-CA 3.42Å; L166-C170 PolarHBondContact O-N 3.22Å; C170-L172 PolarHBondContact O-N 2.75Å; C170-G173 PolarHBondContact O-N 2.86Å; C170-G173 VanDerWaalsContact O-N 3.12Å; C170-G173 VanDerWaalsContact SG-C 3.52Å; C170-T174 CarbonylContact C-O 3.45Å; C170-T174 VanDerWaalsContact CA-O 3.31Å; C170-T174 WeakPolarHBondContact CA-O 3.05Å
171P89.6Confident80.2Confident41 Ų4152.4 Ų52.427%0.26629%0.289SS..G310 helixtrans-58.6132-179.725.2-34000110.5G173 T174 L176P171-G173 PolarHBondContact O-N 3.15Å; P171-T174 WeakPolarHBondContact CD-O 3.44Å; P171-T174 PolarHBondContact O-N 3.1Å; P171-L176 HydrophobicContact CG-CD1 3.46Å; P171-L176 VanDerWaalsContact CG-CD1 3.46Å; P171-L176 HydrophobicContact CG-CG 3.97Å
172L89.1Confident78.4Confident125 Ų12553 Ų5365%0.65431%0.311SS*.G310 helixtrans51.728-179.4-55.2175.1000113.4T27 V28 C170 T174T27-L172 PolarHBondContact OG1-O 3.01Å; V28-L172 WeakPolarHBondContact CG2-O 3.48Å; C170-L172 PolarHBondContact O-N 2.75Å; L172-T174 VanDerWaalsContact C-N 3.34Å
173G88.1Confident76.3Confident0 Ų055.4 Ų55.40%033%0.331CS..G310 helixtrans79.213.1178.900000113.9S2 V3 Y25 C170 P171 P175S2-G173 CarbonylContact C-O 3.56Å; S2-G173 WeakPolarHBondContact CA-O 3.39Å; S2-G173 VanDerWaalsContact CB-O 3.31Å; S2-G173 WeakPolarHBondContact CB-O 3.45Å; V3-G173 PolarHBondContact N-O 3.4Å; Y25-G173 VanDerWaalsContact CG-CA 3.4Å; C170-G173 PolarHBondContact O-N 2.86Å; C170-G173 VanDerWaalsContact O-N 3.12Å; C170-G173 VanDerWaalsContact SG-C 3.52Å; P171-G173 PolarHBondContact O-N 3.15Å; G173-P175 WeakPolarHBondContact O-CD 3.13Å
174T89.7Confident74Confident52 Ų5256.8 Ų56.832%0.31934%0.342SS..  trans-101.4109.3175.5-58.90000109.4S2 C170 P171 L172 L176S2-T174 PolarHBondContact OG-OG1 3.36Å; C170-T174 CarbonylContact C-O 3.45Å; C170-T174 VanDerWaalsContact CA-O 3.31Å; C170-T174 WeakPolarHBondContact CA-O 3.05Å; P171-T174 WeakPolarHBondContact CD-O 3.44Å; P171-T174 PolarHBondContact O-N 3.1Å; L172-T174 VanDerWaalsContact C-N 3.34Å; T174-L176 PolarHBondContact O-N 3.45Å
175P86.8Confident71.8Confident13 Ų1358.1 Ų58.18%0.08435%0.351CS..  trans-59.4127.9176.3-20.732.7000110.7M1 V3 L135 I169 G173M1-P175 WeakPolarHBondContact O-CD 3.41Å; V3-P175 HydrophobicContact CG2-CG 3.98Å; L135-P175 HydrophobicContact CB-CB 4.44Å; L135-P175 HydrophobicContact CD2-CG 4.17Å; I169-P175 CarbonylContact O-C 3.54Å; I169-P175 WeakPolarHBondContact O-CA 3.24Å; G173-P175 WeakPolarHBondContact O-CD 3.13Å
176L82.3Confident69.4Low93 Ų9360.3 Ų60.349%0.48737%0.372SS..  trans-107.1-166.3170.6-62.2-177.1000109I169 P171 T174 I178I169-L176 PolarHBondContact O-N 3.36Å; P171-L176 HydrophobicContact CG-CD1 3.46Å; P171-L176 VanDerWaalsContact CG-CD1 3.46Å; P171-L176 HydrophobicContact CG-CG 3.97Å; T174-L176 PolarHBondContact O-N 3.45Å; L176-I178 PolarHBondContact O-N 3.33Å
177D66.4Low67Low143 Ų14366.3 Ų66.377%0.76541%0.414SS*.PPolyproline II helixtrans-63.3133.2173.1-67.6-34000111.1
178I63.1Low64.5Low48 Ų4864.3 Ų64.325%0.24641%0.414CS..PPolyproline II helixtrans-77.3136.1-177.1-59.8176.3000108.6T134 L176 Q180T134-I178 VanDerWaalsContact C-CD1 3.41Å; T134-I178 HydrophobicContact CG2-CD1 3.66Å; T134-I178 WeakPolarHBondContact O-CD1 3.38Å; L176-I178 PolarHBondContact O-N 3.33Å; I178-Q180 PolarHBondContact O-N 2.84Å
179P51Low62.1Low36 Ų3667.2 Ų67.223%0.23443%0.43CS..PPolyproline II helixtrans-67.1134.4177.9-7.325.1000108.3I165 I169 A183I165-P179 HydrophobicContact CG2-CG 4.37Å; I169-P179 HydrophobicContact CB-CG 4.44Å; I169-P179 HydrophobicContact CG2-CG 3.13Å; P179-A183 HydrophobicContact CB-CB 4.13Å
180Q54.2Low59.7Low54 Ų5472.1 Ų72.125%0.25246%0.462SS..PPolyproline II helixtrans-64.9144.8169.8-60.6-150.7-3700109.9I178 G182 A183 W201I178-Q180 PolarHBondContact O-N 2.84Å; Q180-G182 PolarHBondContact O-N 2.76Å; Q180-G182 VanDerWaalsContact O-N 3.11Å; Q180-A183 PolarHBondContact O-N 3.07Å; Q180-W201 PolarHBondContact OE1-O 3.34Å
181P46.5Very low57.3Low60 Ų6077.8 Ų77.839%0.3950%0.497SS..THydrogen-bonded Turntrans-51.4121.7169.6-21.431.6000109.1
182G49.2Very low55Low75 Ų7580 Ų8077%0.77351%0.511SS*.THydrogen-bonded Turntrans101.6-1.3-176.800000115.9Q180 S184Q180-G182 PolarHBondContact O-N 2.76Å; Q180-G182 VanDerWaalsContact O-N 3.11Å; G182-S184 PolarHBondContact O-N 2.81Å
183A46.9Very low52.8Low49 Ų4979.6 Ų79.641%0.40553%0.526SS..  trans-65104.8164.100000109.3P179 Q180 S185P179-A183 HydrophobicContact CB-CB 4.13Å; Q180-A183 PolarHBondContact O-N 3.07Å; A183-S185 PolarHBondContact O-N 3.12Å
184S42.2Very low51Low94 Ų9481.8 Ų81.866%0.65755%0.549SS*.  trans-55.6130.7173.250.60000109.9G182 A186G182-S184 PolarHBondContact O-N 2.81Å; S184-A186 PolarHBondContact O-N 2.86Å
185S39.9Very low48.8Very low83 Ų8386.9 Ų86.958%0.5858%0.58SS**SBendtrans-64.33.1171.854.10000114A183 S187A183-S185 PolarHBondContact O-N 3.12Å; S185-S187 PolarHBondContact O-N 3.45Å
186A37.3Very low47.3Very low62 Ų6291.8 Ų91.851%0.51260%0.602SS.*  trans-76.6117.9173.300000109.8S184 A188S184-A186 PolarHBondContact O-N 2.86Å; A186-A188 PolarHBondContact O-N 2.83Å
187S36.8Very low46.1Very low131 Ų13196.8 Ų96.892%0.91662%0.62SS**  trans-62.843.1165.464.50000113.3S185S185-S187 PolarHBondContact O-N 3.45Å
188A34.7Very low45.7Very low72 Ų7294.2 Ų94.260%0.59560%0.603SS**  trans-100.587.9164.600000105.9A186 P190A186-A188 PolarHBondContact O-N 2.83Å; A188-P190 WeakPolarHBondContact O-CD 3.45Å
189M34.1Very low45.7Very low177 Ų17793.2 Ų93.287%0.87260%0.6SS**  trans-48.9115.9152.4-86.4-176.115000105.8T191M189-T191 PolarHBondContact O-N 3.16Å
190P36.8Very low46.2Very low106 Ų10695.5 Ų95.569%0.68862%0.622SS**  trans-64.4103.2158.4-3.521.2000103A188 P192A188-P190 WeakPolarHBondContact O-CD 3.45Å; P190-P192 WeakPolarHBondContact O-CD 3.38Å
191T38.6Very low46.6Very low119 Ų11996.3 Ų96.373%0.7362%0.622SS**  trans-49.6118.6164.639.80000105.7M189 A193M189-T191 PolarHBondContact O-N 3.16Å; T191-A193 PolarHBondContact O-N 2.84Å
192P41.1Very low47.4Very low87 Ų8794.4 Ų94.457%0.56561%0.608SS**  trans-58.6115.9179.521.9-30.4000106.6P190 G194P190-P192 WeakPolarHBondContact O-CD 3.38Å; P192-G194 PolarHBondContact O-N 2.76Å
193A43.1Very low47.6Very low117 Ų11795.2 Ų95.297%0.96760%0.598SS**SBendtrans-70.976.6165.800000106.6T191T191-A193 PolarHBondContact O-N 2.84Å
194G50.7Low48.1Very low47 Ų4794.1 Ų94.149%0.48559%0.591SS.*SBendtrans152147.7-178.500000113.4P192 Q196P192-G194 PolarHBondContact O-N 2.76Å; G194-Q196 PolarHBondContact O-N 2.79Å; G194-Q196 VanDerWaalsContact O-N 3.1Å
195T44.1Very low49Very low158 Ų15894.1 Ų94.197%0.96959%0.587SS**SBendtrans-68.35.1174.728.50000114.5
196Q54.8Low50.2Low117 Ų11792.4 Ų92.455%0.54757%0.57SS.*PPolyproline II helixtrans-89.6123.9-177.6-107-176.3-10.500111.7G194 Q198G194-Q196 PolarHBondContact O-N 2.79Å; G194-Q196 VanDerWaalsContact O-N 3.1Å; Q196-Q198 PolarHBondContact O-N 2.79Å
197K56.6Low51.5Low198 Ų198100.4 Ų100.486%0.86159%0.587SS**PPolyproline II helixtrans-66.5121.2172.4-65.5-177.1178.5-178.50109.5
198Q58.1Low53.2Low88 Ų8895.8 Ų95.841%0.41156%0.56SS.*PPolyproline II helixtrans-95.8136.6176.3-175.1164.9-3.700110Q196 K202Q196-Q198 PolarHBondContact O-N 2.79Å; Q198-K202 VanDerWaalsContact CD-O 3.29Å; Q198-K202 HydrophobicContact CG-CB 4.08Å; Q198-K202 PolarHBondContact NE2-O 2.83Å
199P63.5Low55.3Low28 Ų28103 Ų10318%0.18257%0.572CS.*PPolyproline II helixtrans-61.7145.5175.9-20.531.4000111.8W201 K202 L250P199-W201 HydrophobicContact CB-CD2 3.84Å; P199-W201 VanDerWaalsContact CB-CE2 3.49Å; P199-W201 HydrophobicContact CB-CE3 4.19Å; P199-W201 HydrophobicContact CB-CG 4.47Å; P199-W201 HydrophobicContact CB-CH2 3.97Å; P199-W201 HydrophobicContact CB-CZ2 3.57Å; P199-W201 HydrophobicContact CB-CZ3 4.25Å; P199-W201 HydrophobicContact CG-CZ2 4.23Å; P199-W201 PolarHBondContact O-N 3.47Å; P199-W201 VanDerWaalsContact O-N 3.14Å; P199-K202 PolarHBondContact O-N 2.86Å; P199-L250 HydrophobicContact CG-CD2 4.05Å
200A60.3Low57.8Low84 Ų8495.4 Ų95.469%0.69454%0.537SS*.THydrogen-bonded Turntrans-59-29.5-174.200000114K202A200-K202 VanDerWaalsContact C-N 3.25Å; A200-K202 PolarHBondContact O-N 3.19Å
201W63.8Low60.3Low71 Ų7191.5 Ų91.527%0.26951%0.512SS..THydrogen-bonded Turntrans-82.77.1179.35785.7000114.4Q180 P199 C274 S305 P307Q180-W201 PolarHBondContact OE1-O 3.34Å; P199-W201 HydrophobicContact CB-CD2 3.84Å; P199-W201 VanDerWaalsContact CB-CE2 3.49Å; P199-W201 HydrophobicContact CB-CE3 4.19Å; P199-W201 HydrophobicContact CB-CG 4.47Å; P199-W201 HydrophobicContact CB-CH2 3.97Å; P199-W201 HydrophobicContact CB-CZ2 3.57Å; P199-W201 HydrophobicContact CB-CZ3 4.25Å; P199-W201 HydrophobicContact CG-CZ2 4.23Å; P199-W201 PolarHBondContact O-N 3.47Å; P199-W201 VanDerWaalsContact O-N 3.14Å; W201-C274 HydrophobicContact CH2-CB 4.41Å; W201-C274 HydrophobicContact CZ2-CB 3.72Å; W201-S305 PolarHBondContact NE1-O 3.27Å; W201-P307 HydrophobicContact CG-CG 4.42Å
202K62.8Low62.9Low20 Ų2085.9 Ų85.99%0.08748%0.477CS..  trans-118.496.6-179.5-164.2174.4-179.2173.80109.8Q198 P199 A200 G248 V249Q198-K202 VanDerWaalsContact CD-O 3.29Å; Q198-K202 HydrophobicContact CG-CB 4.08Å; Q198-K202 PolarHBondContact NE2-O 2.83Å; P199-K202 PolarHBondContact O-N 2.86Å; A200-K202 VanDerWaalsContact C-N 3.25Å; A200-K202 PolarHBondContact O-N 3.19Å; K202-G248 PolarHBondContact NZ-O 2.95Å; K202-V249 PolarHBondContact NZ-O 3.36Å
203T53.9Low65.4Low91 Ų9184.2 Ų84.256%0.55846%0.463SS*.  trans-103.8-1.3-17751.90000113.8
204G57.6Low68Low26 Ų2678.8 Ų78.827%0.26842%0.418SS..  trans-154.4169.1-177.100000114.5
205V61.2Low70.2Confident95 Ų9578 Ų7858%0.57641%0.407SS*.  trans-107.9122.1174.5-175.50000107.6R207V205-R207 PolarHBondContact O-N 2.55Å
206H65Low72.7Confident46 Ų4670.6 Ų70.621%0.21336%0.362CS..  trans-62.4133.4170.3-178.164.4000109.4R209 E245H206-R209 PolarHBondContact NE2-O 3.45Å; H206-E245 VanDerWaalsContact CD2-C 3.49Å
207R64.1Low74.7Confident230 Ų23066.2 Ų66.287%0.86834%0.343SS*.  trans-120.3107.6171.4-68.1-174.1179.8-173.90.3107.3V205V205-R207 PolarHBondContact O-N 2.55Å
208G71.6Confident76.7Confident35 Ų3556.8 Ų56.836%0.36130%0.302SS..SBendtrans159.4-173.2-175.400000114A210 E247G208-A210 PolarHBondContact O-N 3.41Å; G208-E247 PolarHBondContact N-OE1 2.72Å; G208-E247 VanDerWaalsContact N-OE1 3.13Å
209R80.1Confident78.5Confident223 Ų22356.1 Ų56.184%0.84230%0.3SS*.  trans-63.2132.1177.5-71.5-175.1-179.3-175.30.8109.6H206 V211H206-R209 PolarHBondContact NE2-O 3.45Å; R209-V211 PolarHBondContact O-N 2.76Å
210A85.6Confident80Confident17 Ų1754.8 Ų54.814%0.1429%0.291CS..  trans-74.6116.1179.500000110.3G208 E245 P460 R461G208-A210 PolarHBondContact O-N 3.41Å; A210-E245 CarbonylContact C-O 3.56Å; A210-E245 WeakPolarHBondContact CA-O 3.46Å; A210-P460 HydrophobicContact CB-CB 3.87Å; A210-P460 CarbonylContact O-C 3.54Å; A210-P460 VanDerWaalsContact O-CA 3.25Å; A210-P460 WeakPolarHBondContact O-CA 3.23Å; A210-R461 PolarHBondContact O-N 2.97Å
211V90.3Very high81.5Confident25 Ų2552.7 Ų52.715%0.15227%0.265CS..EExtended strand (participates in β ladder)trans-137.4136.5-179.3-173.60000110.5R209 E245 R461R209-V211 PolarHBondContact O-N 2.76Å; V211-E245 HydrophobicContact CB-CB 4.47Å; V211-E245 PolarHBondContact N-O 2.77Å; V211-E245 WeakPolarHBondContact O-CA 3.2Å; V211-E245 PolarHBondContact O-N 3.33Å; V211-R461 CarbonylContact C-O 3.5Å; V211-R461 VanDerWaalsContact CA-O 3.31Å; V211-R461 WeakPolarHBondContact CA-O 3.38Å; V211-R461 HydrophobicContact CG2-CB 4.37Å
212V92.1Very high82.9Confident0 Ų049.3 Ų49.30%025%0.252CS..EExtended strand (participates in β ladder)trans-120.2117.2170.2176.50000108.6V214 C244 V246 V452 V454 P460 R461 I462 V463V212-V214 HydrophobicContact CG1-CG2 4.05Å; V212-C244 HydrophobicContact CG2-CB 4.41Å; V212-V246 HydrophobicContact CG2-CG1 3.81Å; V212-V452 HydrophobicContact CG1-CG1 4.13Å; V212-V454 HydrophobicContact CG2-CG2 3.91Å; V212-P460 HydrophobicContact CG2-CB 4.27Å; V212-P460 HydrophobicContact CG2-CG 4.37Å; V212-R461 PolarHBondContact N-O 2.75Å; V212-I462 CarbonylContact O-C 3.47Å; V212-I462 WeakPolarHBondContact O-CA 3.16Å; V212-V463 PolarHBondContact O-N 2.97Å
213N94.7Very high84.2Confident53 Ų5349.4 Ų49.428%0.28325%0.253SS..EExtended strand (participates in β ladder)trans-105.1127.2174.6-57.1-70.4000108.9C242 K243 V463N213-C242 CarbonylContact O-C 3.53Å; N213-C242 VanDerWaalsContact O-CA 3.31Å; N213-C242 WeakPolarHBondContact O-CA 3.47Å; N213-K243 HydrophobicContact CB-CB 4.37Å; N213-K243 PolarHBondContact N-O 2.87Å; N213-K243 PolarHBondContact O-N 3.31Å; N213-V463 CarbonylContact C-O 3.55Å; N213-V463 WeakPolarHBondContact CA-O 3.37Å; N213-V463 WeakPolarHBondContact OD1-CB 3.32Å
214V96.8Very high86.1Confident3 Ų345.1 Ų45.12%0.01823%0.227CC..EExtended strand (participates in β ladder)trans-123.8118174-172.70000108.5V212 V240 T241 V255 V447 V452 V463 T464 S465V212-V214 HydrophobicContact CG1-CG2 4.05Å; V214-V240 HydrophobicContact CG1-CG1 3.8Å; V214-T241 WeakPolarHBondContact CA-O 3.28Å; V214-V255 HydrophobicContact CG1-CG1 4.25Å; V214-V255 HydrophobicContact CG2-CG2 4.01Å; V214-V447 HydrophobicContact CG1-CB 4.36Å; V214-V447 HydrophobicContact CG1-CG1 4.13Å; V214-V447 HydrophobicContact CG1-CG2 4.14Å; V214-V452 HydrophobicContact CG2-CG2 4.24Å; V214-V463 PolarHBondContact N-O 2.72Å; V214-T464 HydrophobicContact CB-CG2 4.32Å; V214-T464 CarbonylContact O-C 3.57Å; V214-T464 VanDerWaalsContact O-CA 3.25Å; V214-T464 WeakPolarHBondContact O-CA 3.25Å; V214-S465 PolarHBondContact O-N 2.87Å
215A96.8Very high87.5Confident31 Ų3144.6 Ų44.626%0.25622%0.217SC..EExtended strand (participates in β ladder)trans-114.9125.2178.600000109.6V240 T241 S465A215-V240 WeakPolarHBondContact O-CA 3.1Å; A215-T241 PolarHBondContact N-O 3.5Å; A215-T241 PolarHBondContact O-N 3.4Å; A215-S465 WeakPolarHBondContact CA-O 2.99Å; A215-S465 WeakPolarHBondContact CB-OG 3.4Å
216L97.2Very high88.4Confident2 Ų242 Ų421%0.0121%0.21CC..EExtended strand (participates in β ladder)trans-106.2116.7175.2175.567000109.8V240 Y316 T441 C445 S465 R466 E467L216-V240 HydrophobicContact CD1-CG2 3.61Å; L216-Y316 HydrophobicContact CD1-CE1 3.87Å; L216-Y316 WeakPolarHBondContact CD1-OH 3.43Å; L216-T441 HydrophobicContact CD2-CG2 3.44Å; L216-T441 VanDerWaalsContact CD2-CG2 3.44Å; L216-T441 HydrophobicContact CG-CG2 3.95Å; L216-C445 HydrophobicContact CD2-CB 4.16Å; L216-C445 VanDerWaalsContact CD2-O 3.26Å; L216-C445 WeakPolarHBondContact CD2-O 3.49Å; L216-S465 PolarHBondContact N-O 2.77Å; L216-R466 HydrophobicContact CB-CB 4.16Å; L216-R466 HydrophobicContact CD2-CB 4.49Å; L216-R466 CarbonylContact O-C 3.58Å; L216-R466 WeakPolarHBondContact O-CA 3.43Å; L216-E467 PolarHBondContact O-N 2.98Å
217T97.5Very high89Confident24 Ų2442.6 Ų42.615%0.14722%0.215CC..EExtended strand (participates in β ladder)trans-116.3121.8177.1-58.60000108.5M219 G238 T239 E467 L469T217-M219 HydrophobicContact CG2-CE 4.45Å; T217-G238 CarbonylContact O-C 3.42Å; T217-G238 WeakPolarHBondContact O-CA 3.25Å; T217-T239 PolarHBondContact N-O 3.4Å; T217-T239 PolarHBondContact O-N 3.25Å; T217-E467 HydrophobicContact CG2-CG 3.93Å; T217-E467 PolarHBondContact OG1-OE1 2.93Å; T217-E467 VanDerWaalsContact OG1-OE1 3.05Å; T217-L469 HydrophobicContact CG2-CD1 3.52Å; T217-L469 HydrophobicContact CG2-CG 4.06Å
218E96.9Very high89.4Confident0 Ų043.5 Ų43.50%022%0.218CC..EExtended strand (participates in β ladder)trans-102.1132.1169.1-77.6-174.1-176.100110.3V236 Y316 T441 L442 S443 E467 L468 L469E218-V236 HydrophobicContact CB-CG1 3.89Å; E218-V236 HydrophobicContact CG-CG1 3.87Å; E218-Y316 PolarHBondContact OE1-OH 3.5Å; E218-T441 HydrophobicContact CG-CG2 4.05Å; E218-T441 WeakPolarHBondContact OE1-CB 3.31Å; E218-T441 WeakPolarHBondContact OE2-CA 3.32Å; E218-L442 WeakPolarHBondContact OE2-CA 3.45Å; E218-L442 PolarHBondContact OE2-N 3.11Å; E218-S443 VanDerWaalsContact OE1-CB 3.31Å; E218-S443 WeakPolarHBondContact OE1-CB 3.46Å; E218-S443 PolarHBondContact OE1-OG 2.86Å; E218-S443 PolarHBondContact OE2-N 2.84Å; E218-E467 PolarHBondContact N-O 3.45Å; E218-L468 HydrophobicContact CB-CD1 3.99Å; E218-L468 CarbonylContact O-C 3.6Å; E218-L468 WeakPolarHBondContact O-CA 3.49Å; E218-L469 PolarHBondContact O-N 2.83Å
219M96.4Very high89.7Confident75 Ų7549 Ų4937%0.36924%0.239SC..EExtended strand (participates in β ladder)trans-108.5127.4172.7-67.3-176.4179.800108.9T217 V236 Y237 L469T217-M219 HydrophobicContact CG2-CE 4.45Å; M219-V236 WeakPolarHBondContact O-CA 3.4Å; M219-Y237 PolarHBondContact N-O 3.24Å; M219-Y237 PolarHBondContact O-N 2.98Å; M219-L469 CarbonylContact C-O 3.55Å; M219-L469 VanDerWaalsContact CA-O 3.27Å; M219-L469 WeakPolarHBondContact CA-O 3.43Å; M219-L469 HydrophobicContact CE-CD1 4.23Å; M219-L469 HydrophobicContact CG-CB 4.31Å
220V94.9Very high89.7Confident0 Ų042.7 Ų42.70%022%0.216CC..EExtended strand (participates in β ladder)trans-102132.6175.356.90000110.7P324 F435 L442 L468 L469 S471 Y473V220-P324 HydrophobicContact CG1-CG 4.13Å; V220-P324 HydrophobicContact CG2-CG 4.43Å; V220-F435 HydrophobicContact CG1-CE2 4Å; V220-F435 HydrophobicContact CG1-CZ 3.57Å; V220-L442 HydrophobicContact CB-CD2 4.48Å; V220-L442 HydrophobicContact CG2-CD2 4.23Å; V220-L468 HydrophobicContact CB-CD1 4.33Å; V220-L468 HydrophobicContact CG1-CD1 4.17Å; V220-L469 WeakPolarHBondContact CG1-O 3.35Å; V220-L469 PolarHBondContact N-O 3.03Å; V220-S471 PolarHBondContact O-N 3.04Å; V220-Y473 HydrophobicContact CG1-CD2 3.95Å; V220-Y473 HydrophobicContact CG1-CE2 4.05Å; V220-Y473 HydrophobicContact CG2-CD2 4.21Å; V220-Y473 HydrophobicContact CG2-CE2 3.94Å
221R92.6Very high89.6Confident39 Ų3950 Ų5015%0.14725%0.247CC..EExtended strand (participates in β ladder)trans-109.7143.7166.9-54.1-176.7-70.4-178.8-3.8108.5W234 D235 E472 M489R221-W234 WeakPolarHBondContact O-CA 3.33Å; R221-W234 WeakPolarHBondContact O-CB 3.21Å; R221-D235 WeakPolarHBondContact CB-OD1 3.37Å; R221-D235 IonicContact CZ-OD1 2.83Å; R221-D235 IonicContact CZ-OD2 3.16Å; R221-D235 PolarHBondContact N-O 2.84Å; R221-D235 IonicContact NE-OD1 2.97Å; R221-D235 PolarHBondContact NE-OD1 2.78Å; R221-D235 IonicContact NE-OD2 2.76Å; R221-D235 IonicContact NH2-OD1 2.76Å; R221-D235 PolarHBondContact NH2-OD1 3.41Å; R221-D235 IonicContact NH2-OD2 3.3Å; R221-D235 PolarHBondContact NH2-OD2 2.9Å; R221-D235 PolarHBondContact O-N 2.77Å; R221-D235 VanDerWaalsContact O-N 3.11Å; R221-E472 CarbonylContact C-O 3.51Å; R221-E472 WeakPolarHBondContact CA-O 3.26Å; R221-E472 HydrophobicContact CB-CB 4.17Å; R221-E472 WeakPolarHBondContact CD-OE2 3.49Å; R221-E472 HydrophobicContact CG-CB 4Å; R221-E472 IonicContact NH1-OE2 3.8Å; R221-M489 HydrophobicContact CB-CE 3.94Å; R221-M489 PolarHBondContact NH1-O 3.12Å; R221-M489 VanDerWaalsContact NH1-O 3.15Å; R221-M489 PolarHBondContact NH2-O 3.16Å
222S92.2Very high89.5Confident0 Ų051 Ų510%025%0.251CS..EExtended strand (participates in β ladder)trans-152.3135.3-179.4-172.20000109.7Q224 L233 E472 Y473 F474S222-Q224 WeakPolarHBondContact OG-CG 3.42Å; S222-Q224 PolarHBondContact OG-NE2 3.13Å; S222-Q224 VanDerWaalsContact OG-NE2 3.13Å; S222-L233 CarbonylContact C-O 3.56Å; S222-L233 WeakPolarHBondContact CA-O 3.43Å; S222-E472 PolarHBondContact N-O 2.78Å; S222-E472 VanDerWaalsContact O-O 3.08Å; S222-Y473 VanDerWaalsContact CB-CE2 3.43Å; S222-Y473 CarbonylContact O-C 3.45Å; S222-F474 PolarHBondContact O-N 3.11Å
223M90.9Very high89.4Confident23 Ų2353.6 Ų53.611%0.11327%0.265CS..EExtended strand (participates in β ladder)trans-122.6103.3173.2-61.7-69.1179.100107Y225 D232 L233 F474 M489M223-Y225 HydrophobicContact CB-CE2 4.21Å; M223-D232 VanDerWaalsContact O-CA 3.31Å; M223-D232 WeakPolarHBondContact O-CA 3.35Å; M223-L233 HydrophobicContact CB-CB 4.46Å; M223-L233 PolarHBondContact N-O 3.36Å; M223-L233 PolarHBondContact O-N 3.02Å; M223-F474 HydrophobicContact CE-CD2 3.5Å; M223-F474 HydrophobicContact CE-CE2 3.92Å; M223-F474 HydrophobicContact SD-CB 3.81Å; M223-F474 HydrophobicContact SD-CD2 3.55Å; M223-F474 VanDerWaalsContact SD-CD2 3.55Å; M223-F474 HydrophobicContact SD-CE2 4.49Å; M223-F474 HydrophobicContact SD-CG 4.06Å; M223-M489 HydrophobicContact CE-CE 3.95Å; M223-M489 HydrophobicContact CG-CE 4.08Å; M223-M489 HydrophobicContact CG-SD 4.09Å
224Q92.6Very high89.3Confident1 Ų154.2 Ų54.21%0.00526%0.263CS..EExtended strand (participates in β ladder)trans-108.2122.8-178.1-60.3179.438.100109.6S222 D232 I325 Y473 F474 I475 W476S222-Q224 WeakPolarHBondContact OG-CG 3.42Å; S222-Q224 PolarHBondContact OG-NE2 3.13Å; S222-Q224 VanDerWaalsContact OG-NE2 3.13Å; Q224-D232 WeakPolarHBondContact CA-OD1 3.46Å; Q224-D232 HydrophobicContact CG-CB 4.41Å; Q224-I325 PolarHBondContact NE2-O 3.41Å; Q224-Y473 PolarHBondContact NE2-OH 3.37Å; Q224-F474 PolarHBondContact N-O 2.89Å; Q224-I475 HydrophobicContact CB-CG1 4.28Å; Q224-I475 CarbonylContact O-C 3.58Å; Q224-W476 PolarHBondContact O-N 2.95Å
225Y88.7Confident89Confident14 Ų1454.4 Ų54.46%0.05526%0.264CS..  trans-102.3-21.4-174.7-57.2-75.7000112.8M223 N227 R230 Q231 D232 W476 S478 A482 P483M223-Y225 HydrophobicContact CB-CE2 4.21Å; Y225-N227 PolarHBondContact O-N 3.09Å; Y225-R230 HydrophobicContact CD2-CB 4.1Å; Y225-R230 HydrophobicContact CG-CB 4.13Å; Y225-Q231 WeakPolarHBondContact CD2-O 3.32Å; Y225-Q231 WeakPolarHBondContact CE2-O 3.45Å; Y225-D232 PolarHBondContact N-OD1 3.05Å; Y225-W476 HydrophobicContact CD1-CB 4.11Å; Y225-W476 AromaticContact CD1-CD1 3.71Å; Y225-W476 HydrophobicContact CD1-CG 4.02Å; Y225-W476 AromaticContact CE1-CD1 3.62Å; Y225-W476 HydrophobicContact CE1-CG 4.19Å; Y225-S478 WeakPolarHBondContact O-CA 3.35Å; Y225-S478 WeakPolarHBondContact O-CB 3.44Å; Y225-A482 HydrophobicContact CD1-CB 3.54Å; Y225-A482 HydrophobicContact CE1-CB 3.72Å; Y225-P483 PolarHBondContact OH-O 2.98Å
226G80.3Confident88.9Confident42 Ų4253 Ų5343%0.43325%0.252SS..  trans58.922-178.300000113.7S478G226-S478 WeakPolarHBondContact O-CB 3.5Å
227N76.8Confident88.8Confident58 Ų5856.2 Ų56.231%0.3127%0.265SS..  trans-121129.2-176-175.3-25.4000109.9Y225 N229 R230Y225-N227 PolarHBondContact O-N 3.09Å; N227-N229 PolarHBondContact O-N 3.35Å; N227-N229 VanDerWaalsContact O-N 3.09Å; N227-N229 PolarHBondContact OD1-N 3.08Å; N227-R230 CarbonylContact O-C 3.58Å; N227-R230 PolarHBondContact O-N 3.24Å
228R72.9Confident88.7Confident248 Ų24855.1 Ų55.194%0.93626%0.258SS*.THydrogen-bonded Turntrans-60.6-23.6-179-64.7-175.7179.2-168.8-0.6114.2
229N77.1Confident88.7Confident151 Ų15155.8 Ų55.881%0.80726%0.262SS*.THydrogen-bonded Turntrans-85.8-9.7-179.3-62.1-20.8000113N227N227-N229 PolarHBondContact O-N 3.35Å; N227-N229 VanDerWaalsContact O-N 3.09Å; N227-N229 PolarHBondContact OD1-N 3.08Å
230R80.3Confident88.7Confident91 Ų9152.2 Ų52.234%0.34324%0.244SC..SBendtrans-129.6125.2-178-65.6-173.4-179.6-163.3-0.1109.7Y225 N227 A482Y225-R230 HydrophobicContact CD2-CB 4.1Å; Y225-R230 HydrophobicContact CG-CB 4.13Å; N227-R230 CarbonylContact O-C 3.58Å; N227-R230 PolarHBondContact O-N 3.24Å; R230-A482 PolarHBondContact NH1-O 3.11Å
231Q83.8Confident88.7Confident170 Ų17054.5 Ų54.579%0.79426%0.259SS*.  trans-78.8136.7177-66.7-174.5-0.700110.2Y225Y225-Q231 WeakPolarHBondContact CD2-O 3.32Å; Y225-Q231 WeakPolarHBondContact CE2-O 3.45Å
232D88.9Confident88.7Confident47 Ų4752.7 Ų52.725%0.25125%0.252SS..  trans-65.5144.7169.9-64.6-12000109.2M223 Q224 Y225 W234M223-D232 VanDerWaalsContact O-CA 3.31Å; M223-D232 WeakPolarHBondContact O-CA 3.35Å; Q224-D232 WeakPolarHBondContact CA-OD1 3.46Å; Q224-D232 HydrophobicContact CG-CB 4.41Å; Y225-D232 PolarHBondContact N-OD1 3.05Å; D232-W234 HydrophobicContact CB-CE3 4.18Å; D232-W234 HydrophobicContact CB-CZ3 3.82Å; D232-W234 WeakPolarHBondContact O-CZ3 3.29Å
233L89.9Confident88.7Confident53 Ų5356 Ų5628%0.27727%0.266SS..EExtended strand (participates in β ladder)trans-122145.4179.9-60.4173000109.5S222 M223 M489S222-L233 CarbonylContact C-O 3.56Å; S222-L233 WeakPolarHBondContact CA-O 3.43Å; M223-L233 HydrophobicContact CB-CB 4.46Å; M223-L233 PolarHBondContact N-O 3.36Å; M223-L233 PolarHBondContact O-N 3.02Å; L233-M489 HydrophobicContact CB-SD 4.18Å
234W91.5Very high88.6Confident66 Ų6655.1 Ų55.125%0.2526%0.262CS..EExtended strand (participates in β ladder)trans-159.4154.6172.458.186.4000110.2R221 D232 V320 P321 P323R221-W234 WeakPolarHBondContact O-CA 3.33Å; R221-W234 WeakPolarHBondContact O-CB 3.21Å; D232-W234 HydrophobicContact CB-CE3 4.18Å; D232-W234 HydrophobicContact CB-CZ3 3.82Å; D232-W234 WeakPolarHBondContact O-CZ3 3.29Å; W234-V320 PolarHBondContact NE1-O 2.89Å; W234-P321 VanDerWaalsContact CZ2-O 3.26Å; W234-P321 WeakPolarHBondContact CZ2-O 3.49Å; W234-P323 HydrophobicContact CB-CB 4.18Å; W234-P323 HydrophobicContact CD2-CB 4.32Å; W234-P323 HydrophobicContact CD2-CG 4.14Å; W234-P323 HydrophobicContact CE3-CG 4.15Å; W234-P323 HydrophobicContact CG-CB 4.06Å; W234-P323 HydrophobicContact CG-CG 4.4Å
235D90.9Very high88.3Confident8 Ų857.5 Ų57.54%0.04327%0.274CS..EExtended strand (participates in β ladder)trans-151167.8170.866.23.7000110.8R221R221-D235 WeakPolarHBondContact CB-OD1 3.37Å; R221-D235 IonicContact CZ-OD1 2.83Å; R221-D235 IonicContact CZ-OD2 3.16Å; R221-D235 PolarHBondContact N-O 2.84Å; R221-D235 IonicContact NE-OD1 2.97Å; R221-D235 PolarHBondContact NE-OD1 2.78Å; R221-D235 IonicContact NE-OD2 2.76Å; R221-D235 IonicContact NH2-OD1 2.76Å; R221-D235 PolarHBondContact NH2-OD1 3.41Å; R221-D235 IonicContact NH2-OD2 3.3Å; R221-D235 PolarHBondContact NH2-OD2 2.9Å; R221-D235 PolarHBondContact O-N 2.77Å; R221-D235 VanDerWaalsContact O-N 3.11Å
236V94.1Very high87.9Confident0 Ų057.2 Ų57.20%027%0.273CS..EExtended strand (participates in β ladder)trans-121.5130.7178.3177.30000109.2E218 M219 T317 S318 V320 L442E218-V236 HydrophobicContact CB-CG1 3.89Å; E218-V236 HydrophobicContact CG-CG1 3.87Å; M219-V236 WeakPolarHBondContact O-CA 3.4Å; V236-T317 CarbonylContact O-C 3.41Å; V236-T317 VanDerWaalsContact O-CA 3.24Å; V236-T317 WeakPolarHBondContact O-CA 3.31Å; V236-S318 PolarHBondContact N-O 2.92Å; V236-S318 PolarHBondContact O-N 3.27Å; V236-V320 HydrophobicContact CB-CG1 4.4Å; V236-V320 HydrophobicContact CG2-CB 4.31Å; V236-V320 HydrophobicContact CG2-CG1 3.68Å; V236-V320 HydrophobicContact CG2-CG2 3.67Å; V236-L442 HydrophobicContact CG2-CB 4.24Å; V236-L442 HydrophobicContact CG2-CD2 3.78Å; V236-L442 HydrophobicContact CG2-CG 4.47Å
237Y95.2Very high87.4Confident71 Ų7158.7 Ų58.728%0.27827%0.269SS..EExtended strand (participates in β ladder)trans-111.3114.2171.1178.4-102.3000109.8M219 T239 R312 S315 Y316 T317M219-Y237 PolarHBondContact N-O 3.24Å; M219-Y237 PolarHBondContact O-N 2.98Å; Y237-T239 WeakPolarHBondContact CE1-OG1 3.16Å; Y237-R312 PolarHBondContact OH-NH1 3.31Å; Y237-S315 VanDerWaalsContact OH-CB 3.31Å; Y237-S315 WeakPolarHBondContact OH-CB 3.18Å; Y237-S315 PolarHBondContact OH-OG 2.84Å; Y237-Y316 CarbonylContact C-O 3.56Å; Y237-Y316 WeakPolarHBondContact CA-O 3.48Å; Y237-T317 HydrophobicContact CD2-CG2 4.41Å
238G95.8Very high86.7Confident0 Ų057.3 Ų57.30%027%0.268CS..EExtended strand (participates in β ladder)trans-96.6143.7177.300000112.4T217 S315 Y316T217-G238 CarbonylContact O-C 3.42Å; T217-G238 WeakPolarHBondContact O-CA 3.25Å; G238-S315 CarbonylContact O-C 3.55Å; G238-S315 WeakPolarHBondContact O-CA 3.47Å; G238-Y316 PolarHBondContact N-O 2.89Å; G238-Y316 PolarHBondContact O-N 3.23Å
239T96.5Very high85.9Confident14 Ų1449.3 Ų49.39%0.08625%0.247CC..EExtended strand (participates in β ladder)trans-133.4128.5172.9-66.40000110.2T217 Y237 R312 S315T217-T239 PolarHBondContact N-O 3.4Å; T217-T239 PolarHBondContact O-N 3.25Å; Y237-T239 WeakPolarHBondContact CE1-OG1 3.16Å; T239-R312 HydrophobicContact CG2-CG 3.87Å; T239-S315 PolarHBondContact OG1-OG 3.4Å
240V96.4Very high85.3Confident0 Ų045.6 Ų45.60%023%0.227CC..EExtended strand (participates in β ladder)trans-104.9116.1174.7-175.80000108.5V214 A215 L216 L257 R312 L313 C314 Y316V214-V240 HydrophobicContact CG1-CG1 3.8Å; A215-V240 WeakPolarHBondContact O-CA 3.1Å; L216-V240 HydrophobicContact CD1-CG2 3.61Å; V240-L257 HydrophobicContact CG2-CD1 4.05Å; V240-L257 HydrophobicContact CG2-CD2 3.92Å; V240-R312 CarbonylContact O-C 3.48Å; V240-L313 HydrophobicContact CG1-CB 4.3Å; V240-L313 HydrophobicContact CG1-CD2 4.24Å; V240-L313 PolarHBondContact O-N 3.12Å; V240-C314 PolarHBondContact N-O 3.32Å; V240-C314 PolarHBondContact O-N 2.99Å; V240-Y316 HydrophobicContact CG2-CE1 4.37Å
241T95.1Very high84.9Confident49 Ų4941.5 Ų41.530%0.30121%0.212SC..EExtended strand (participates in β ladder)trans-107.3136.3176.7-560000109.8V214 A215 F311V214-T241 WeakPolarHBondContact CA-O 3.28Å; A215-T241 PolarHBondContact N-O 3.5Å; A215-T241 PolarHBondContact O-N 3.4Å; T241-F311 CarbonylContact C-O 3.57Å; T241-F311 WeakPolarHBondContact CA-O 3.47Å; T241-F311 WeakPolarHBondContact CG2-O 3.44Å
242C93.4Very high84.9Confident1 Ų136.2 Ų36.21%0.00719%0.189CC..EExtended strand (participates in β ladder)trans-124.2140.9179.2-68.20000111.3N213 P310 F311 L313N213-C242 CarbonylContact O-C 3.53Å; N213-C242 VanDerWaalsContact O-CA 3.31Å; N213-C242 WeakPolarHBondContact O-CA 3.47Å; C242-P310 WeakPolarHBondContact O-CA 3.14Å; C242-F311 HydrophobicContact CB-CD1 4.44Å; C242-F311 HydrophobicContact CB-CE1 3.74Å; C242-F311 HydrophobicContact CB-CZ 3.83Å; C242-F311 PolarHBondContact N-O 3.04Å; C242-F311 VanDerWaalsContact O-CD1 3.27Å; C242-F311 WeakPolarHBondContact O-CD1 3.43Å; C242-F311 PolarHBondContact O-N 3.18Å; C242-L313 HydrophobicContact CB-CB 4.46Å
243K91.3Very high84.9Confident69 Ų6934 Ų3430%0.318%0.177SC..EExtended strand (participates in β ladder)trans-129116.5164.5-170.2-168.9-166.3-164.50108.4N213 E245 P310N213-K243 HydrophobicContact CB-CB 4.37Å; N213-K243 PolarHBondContact N-O 2.87Å; N213-K243 PolarHBondContact O-N 3.31Å; K243-E245 WeakPolarHBondContact CE-OE1 3.1Å; K243-E245 IonicContact NZ-OE1 3.79Å; K243-E245 PolarHBondContact NZ-OE1 3.39Å; K243-P310 HydrophobicContact CB-CB 4.36Å; K243-P310 HydrophobicContact CB-CG 4.25Å; K243-P310 HydrophobicContact CD-CG 3.95Å; K243-P310 HydrophobicContact CG-CG 3.96Å
244C88.8Confident85.1Confident5 Ų532.1 Ų32.13%0.03417%0.168CC..EExtended strand (participates in β ladder)trans-116.5100.4-175.4-58.80000110.2V212 V246 P306V212-C244 HydrophobicContact CG2-CB 4.41Å; C244-V246 HydrophobicContact CB-CG2 4.15Å; C244-V246 PolarHBondContact O-N 3.43Å; C244-P306 HydrophobicContact CB-CB 3.46Å; C244-P306 VanDerWaalsContact CB-CB 3.46Å; C244-P306 HydrophobicContact CB-CG 3.56Å
245E86.4Confident85.2Confident51 Ų5129 Ų2924%0.23816%0.156CC..EExtended strand (participates in β ladder)trans-93.377.7174.7-70.3178.4176.400108.1H206 A210 V211 K243H206-E245 VanDerWaalsContact CD2-C 3.49Å; A210-E245 CarbonylContact C-O 3.56Å; A210-E245 WeakPolarHBondContact CA-O 3.46Å; V211-E245 HydrophobicContact CB-CB 4.47Å; V211-E245 PolarHBondContact N-O 2.77Å; V211-E245 WeakPolarHBondContact O-CA 3.2Å; V211-E245 PolarHBondContact O-N 3.33Å; K243-E245 WeakPolarHBondContact CE-OE1 3.1Å; K243-E245 IonicContact NZ-OE1 3.79Å; K243-E245 PolarHBondContact NZ-OE1 3.39Å
246V79.9Confident85.3Confident8 Ų829.2 Ų29.25%0.04816%0.158CC..  trans-128.1137.2-173.2-73.80000111.9V212 C244 P251 P306 V454 P460V212-V246 HydrophobicContact CG2-CG1 3.81Å; C244-V246 HydrophobicContact CB-CG2 4.15Å; C244-V246 PolarHBondContact O-N 3.43Å; V246-P251 HydrophobicContact CB-CB 4.22Å; V246-P251 HydrophobicContact CB-CG 4.4Å; V246-P251 HydrophobicContact CG2-CB 3.59Å; V246-P251 HydrophobicContact CG2-CG 3.46Å; V246-P251 VanDerWaalsContact CG2-CG 3.46Å; V246-P306 HydrophobicContact CG2-CG 4.32Å; V246-V454 HydrophobicContact CG1-CG1 4.21Å; V246-P460 HydrophobicContact CG1-CB 4.12Å
247E70.2Confident85.3Confident72 Ų7229.3 Ų29.334%0.33616%0.158SC..  trans-79.8143.2-179.4-54.8-165.3151.700111.6G208G208-E247 PolarHBondContact N-OE1 2.72Å; G208-E247 VanDerWaalsContact N-OE1 3.13Å
248G62.4Low85Confident29 Ų2928.1 Ų28.130%0.29916%0.158SC..SBendtrans128.8161173.800000114.6K202K202-G248 PolarHBondContact NZ-O 2.95Å
249V56.2Low84.8Confident80 Ų8029.1 Ų29.149%0.48516%0.164SC..SBendtrans-71.1-31.6-175.9-177.80000111.5K202K202-V249 PolarHBondContact NZ-O 3.36Å
250L64.4Low84.3Confident74 Ų7431.1 Ų31.139%0.38718%0.177SC..  trans-150.374.9177.4-75.1162.8000111.2P199 N252P199-L250 HydrophobicContact CG-CD2 4.05Å; L250-N252 PolarHBondContact O-N 2.93Å
251P71.3Confident83.5Confident4 Ų437 Ų373%0.02622%0.215CC..  trans-68.1118.917028.4-27.4000107.5V246 P306 Y455V246-P251 HydrophobicContact CB-CB 4.22Å; V246-P251 HydrophobicContact CB-CG 4.4Å; V246-P251 HydrophobicContact CG2-CB 3.59Å; V246-P251 HydrophobicContact CG2-CG 3.46Å; V246-P251 VanDerWaalsContact CG2-CG 3.46Å; P251-P306 HydrophobicContact CG-CG 4.35Å; P251-P306 VanDerWaalsContact O-CD 3.31Å; P251-P306 WeakPolarHBondContact O-CD 3.45Å; P251-Y455 WeakPolarHBondContact CA-O 3.14Å
252N83.5Confident82.6Confident59 Ų5942.4 Ų42.432%0.31624%0.242SC..EExtended strand (participates in β ladder)trans-90.2122172-166.8-24.9000107.4L250 Y455L250-N252 PolarHBondContact O-N 2.93Å; N252-Y455 HydrophobicContact CB-CD2 4.09Å; N252-Y455 WeakPolarHBondContact O-CD2 3.42Å; N252-Y455 PolarHBondContact O-N 3.37Å
253V90.1Very high82Confident0 Ų043 Ų430%025%0.249CC..EExtended strand (participates in β ladder)trans-114.1129.7178.3-179.80000107.8V255 P303 F304 P306 V452 Q453 V454V253-V255 HydrophobicContact CG1-CG2 4.31Å; V253-P303 CarbonylContact O-C 3.59Å; V253-P303 WeakPolarHBondContact O-CA 3.46Å; V253-F304 HydrophobicContact CB-CD2 4.31Å; V253-F304 HydrophobicContact CB-CE1 4.27Å; V253-F304 HydrophobicContact CB-CE2 3.82Å; V253-F304 HydrophobicContact CB-CZ 3.81Å; V253-F304 HydrophobicContact CG1-CE1 4.04Å; V253-F304 HydrophobicContact CG1-CE2 4.03Å; V253-F304 HydrophobicContact CG1-CZ 3.54Å; V253-F304 PolarHBondContact N-O 3.49Å; V253-F304 VanDerWaalsContact O-CD1 3.3Å; V253-F304 WeakPolarHBondContact O-CD1 3.34Å; V253-F304 PolarHBondContact O-N 2.85Å; V253-P306 HydrophobicContact CG2-CG 4.08Å; V253-V452 HydrophobicContact CG1-CG1 4.3Å; V253-Q453 CarbonylContact C-O 3.52Å; V253-Q453 WeakPolarHBondContact CA-O 3.35Å; V253-V454 HydrophobicContact CG1-CG2 4.3Å; V253-V454 HydrophobicContact CG2-CG1 4.1Å; V253-V454 HydrophobicContact CG2-CG2 4.31Å
254T93Very high81.7Confident15 Ų1540.5 Ų40.59%0.09224%0.24CC..EExtended strand (participates in β ladder)trans-112.3118170.7-53.70000108.7K301 F302 V452 Q453T254-K301 HydrophobicContact CG2-CB 4.33Å; T254-F302 WeakPolarHBondContact CA-O 3.31Å; T254-V452 CarbonylContact O-C 3.55Å; T254-V452 WeakPolarHBondContact O-CA 3.47Å; T254-Q453 PolarHBondContact N-O 3.13Å; T254-Q453 PolarHBondContact O-N 2.92Å
255V94.4Very high81.5Confident0 Ų042.6 Ų42.60%025%0.253CS..EExtended strand (participates in β ladder)trans-99132169.1171.50000108.3V214 V253 L257 F302 F304 L313 V447 V452V214-V255 HydrophobicContact CG1-CG1 4.25Å; V214-V255 HydrophobicContact CG2-CG2 4.01Å; V253-V255 HydrophobicContact CG1-CG2 4.31Å; V255-L257 HydrophobicContact CG1-CD2 4.27Å; V255-F302 PolarHBondContact N-O 3.36Å; V255-F302 PolarHBondContact O-N 3.32Å; V255-F304 HydrophobicContact CB-CE1 4.08Å; V255-F304 HydrophobicContact CG2-CE1 3.67Å; V255-F304 HydrophobicContact CG2-CZ 3.83Å; V255-L313 HydrophobicContact CB-CD2 3.71Å; V255-L313 HydrophobicContact CG1-CD2 4.04Å; V255-L313 HydrophobicContact CG2-CD2 3.97Å; V255-V447 HydrophobicContact CG1-CG1 3.95Å; V255-V447 HydrophobicContact CG1-CG2 4.35Å; V255-V452 HydrophobicContact CG2-CG1 4.43Å; V255-V452 HydrophobicContact CG2-CG2 4.39Å
256T93.6Very high81.6Confident13 Ų1340.3 Ų40.38%0.0824%0.243CC..EExtended strand (participates in β ladder)trans-116.4118.3178.7-51.40000110.1T258 P299 Y300 K301 S451T256-T258 HydrophobicContact CG2-CG2 4.35Å; T256-P299 HydrophobicContact CG2-CB 3.57Å; T256-Y300 CarbonylContact C-O 3.59Å; T256-Y300 VanDerWaalsContact CA-O 3.26Å; T256-Y300 WeakPolarHBondContact CA-O 3.19Å; T256-K301 HydrophobicContact CG2-CG 3.93Å; T256-S451 PolarHBondContact O-OG 3.42Å; T256-S451 PolarHBondContact OG1-O 2.8Å; T256-S451 VanDerWaalsContact OG1-O 3.11Å
257L92.8Very high82Confident1 Ų143.8 Ų43.81%0.00526%0.259CS..EExtended strand (participates in β ladder)trans-87.1134.5170.2-48.2-178.9000109.5V240 V255 L266 P299 Y300 F302 Y316 V447V240-L257 HydrophobicContact CG2-CD1 4.05Å; V240-L257 HydrophobicContact CG2-CD2 3.92Å; V255-L257 HydrophobicContact CG1-CD2 4.27Å; L257-L266 HydrophobicContact CD1-CD1 3.97Å; L257-P299 WeakPolarHBondContact O-CA 3.31Å; L257-Y300 PolarHBondContact N-O 3.18Å; L257-Y300 PolarHBondContact O-N 3.27Å; L257-F302 HydrophobicContact CD1-CE2 3.63Å; L257-F302 HydrophobicContact CD1-CZ 4.23Å; L257-F302 HydrophobicContact CG-CD2 4.26Å; L257-F302 HydrophobicContact CG-CE2 3.68Å; L257-Y316 HydrophobicContact CD1-CE1 4.38Å; L257-V447 HydrophobicContact CD2-CG2 3.28Å
258T90.6Very high82.6Confident46 Ų4643 Ų4328%0.28226%0.258SS..BIsolated β-bridgetrans-123.5142.1177.549.20000110.4T256 P299 C445 C446T256-T258 HydrophobicContact CG2-CG2 4.35Å; T258-P299 HydrophobicContact CG2-CB 4.21Å; T258-C445 WeakPolarHBondContact O-CA 3.4Å; T258-C446 PolarHBondContact N-O 2.95Å; T258-C446 PolarHBondContact O-N 2.84Å; T258-C446 PolarHBondContact OG1-O 2.73Å; T258-C446 PolarHBondContact OG1-SG 3Å
259L89.7Confident83.8Confident22 Ų2241.7 Ų41.712%0.11524%0.244CC..  trans-108.2151.5169.6-63.2164.9000109.6S264 L266 S297 Y300 C445L259-S264 VanDerWaalsContact CD1-O 3.29Å; L259-S264 WeakPolarHBondContact CD1-O 3.36Å; L259-S264 WeakPolarHBondContact CD2-O 3.36Å; L259-L266 HydrophobicContact CD1-CD2 4.38Å; L259-L266 HydrophobicContact CD1-CG 4.15Å; L259-L266 HydrophobicContact CD2-CD2 3.98Å; L259-L266 HydrophobicContact CD2-CG 4.47Å; L259-S297 WeakPolarHBondContact CB-O 3.46Å; L259-Y300 HydrophobicContact CD1-CE2 3.97Å; L259-C445 HydrophobicContact CD2-CB 3.85Å
260P86.8Confident85.4Confident56 Ų5643.5 Ų43.536%0.36425%0.25SS..  trans-64.9161.9167.327.1-31.4000110.5N262 G263 G444P260-N262 PolarHBondContact O-N 3.11Å; P260-G263 PolarHBondContact O-N 3.03Å; P260-G444 WeakPolarHBondContact CD-O 3.24Å
261P79.7Confident86.6Confident122 Ų12242.1 Ų42.179%0.79225%0.245SC*.THydrogen-bonded Turntrans-54-29.3-179.7-28.135.1000114.9
262N77Confident87.3Confident163 Ų16344.3 Ų44.387%0.87225%0.254SS*.THydrogen-bonded Turntrans-109.819.4177.4-58.2-24.3000112.2P260P260-N262 PolarHBondContact O-N 3.11Å
263G79.9Confident87.3Confident15 Ų1546.5 Ų46.516%0.15527%0.272CS..PPolyproline II helixtrans-72.4150.7177.300000111.2P260P260-G263 PolarHBondContact O-N 3.03Å
264S84.7Confident87.1Confident16 Ų1646.7 Ų46.711%0.11227%0.273CS..PPolyproline II helixtrans-67.6133.6173.8-69.20000109.8L259 S318 Q319 V320 S443L259-S264 VanDerWaalsContact CD1-O 3.29Å; L259-S264 WeakPolarHBondContact CD1-O 3.36Å; L259-S264 WeakPolarHBondContact CD2-O 3.36Å; S264-S318 WeakPolarHBondContact CB-OG 3.45Å; S264-Q319 VanDerWaalsContact CB-O 3.22Å; S264-Q319 WeakPolarHBondContact CB-O 3.3Å; S264-Q319 PolarHBondContact OG-O 3.45Å; S264-V320 WeakPolarHBondContact OG-CA 3.43Å; S264-S443 PolarHBondContact N-O 3.13Å
265P85.3Confident86.9Confident49 Ų4946.8 Ų46.832%0.31827%0.274SS..PPolyproline II helixtrans-60.3153.4177.526-33.4000110.9S318P265-S318 PolarHBondContact O-OG 2.92Å
266L88.9Confident86.3Confident2 Ų250.7 Ų50.71%0.0130%0.301CS..EExtended strand (participates in β ladder)trans-86.7132.5172.4-53.4-170.7000108.1L257 L259 V269 A285 Y300 Y316 C445L257-L266 HydrophobicContact CD1-CD1 3.97Å; L259-L266 HydrophobicContact CD1-CD2 4.38Å; L259-L266 HydrophobicContact CD1-CG 4.15Å; L259-L266 HydrophobicContact CD2-CD2 3.98Å; L259-L266 HydrophobicContact CD2-CG 4.47Å; L266-V269 HydrophobicContact CB-CG2 4.06Å; L266-A285 WeakPolarHBondContact O-CB 3.44Å; L266-Y300 HydrophobicContact CB-CE1 4.34Å; L266-Y300 HydrophobicContact CB-CE2 4.33Å; L266-Y300 HydrophobicContact CD1-CD2 3.92Å; L266-Y300 HydrophobicContact CD1-CE2 3.98Å; L266-Y300 HydrophobicContact CD1-CG 4.3Å; L266-Y300 HydrophobicContact CG-CD2 4.41Å; L266-Y300 HydrophobicContact CG-CE2 3.95Å; L266-Y316 HydrophobicContact CB-CD2 4.49Å; L266-Y316 HydrophobicContact CB-CG 4.45Å; L266-Y316 HydrophobicContact CD1-CD1 4.18Å; L266-Y316 HydrophobicContact CD1-CE1 4.38Å; L266-Y316 HydrophobicContact CD1-CG 4.24Å; L266-Y316 HydrophobicContact CD2-CD2 3.61Å; L266-Y316 HydrophobicContact CD2-CE2 3.56Å; L266-Y316 HydrophobicContact CD2-CG 4.13Å; L266-Y316 HydrophobicContact CG-CD2 4.42Å; L266-C445 HydrophobicContact CD2-CB 4.37Å
267M86.9Confident85.6Confident81 Ų8153.2 Ų53.240%0.39932%0.319SS..EExtended strand (participates in β ladder)trans-122.4165.1179.5-54.9-63.2-80.800109.2V269 T317M267-V269 PolarHBondContact O-N 3.02Å; M267-T317 WeakPolarHBondContact CB-OG1 3.45Å; M267-T317 PolarHBondContact N-O 3.35Å; M267-T317 PolarHBondContact O-N 3.39Å; M267-T317 PolarHBondContact O-OG1 2.9Å
268D84.5Confident84.8Confident57 Ų5755.4 Ų55.431%0.30533%0.331SS..EExtended strand (participates in β ladder)trans46.541.8176.3-50.4-51.6000113.5L270 A285 T317 M490D268-L270 PolarHBondContact O-N 2.9Å; D268-L270 VanDerWaalsContact O-N 3.11Å; D268-A285 PolarHBondContact N-O 3.3Å; D268-T317 HydrophobicContact CB-CG2 4.14Å; D268-T317 WeakPolarHBondContact CB-OG1 3.37Å; D268-T317 PolarHBondContact OD2-OG1 2.86Å; D268-M490 WeakPolarHBondContact OD2-CE 3.42Å
269V87.8Confident83.8Confident1 Ų156.8 Ų56.81%0.00634%0.336CS..EExtended strand (participates in β ladder)trans-67.3115.5-174.2-177.90000109L266 M267 V271 V282 A285 M286 F302 S315L266-V269 HydrophobicContact CB-CG2 4.06Å; M267-V269 PolarHBondContact O-N 3.02Å; V269-V271 HydrophobicContact CG1-CG1 4.24Å; V269-V282 HydrophobicContact CB-CG1 4.3Å; V269-V282 HydrophobicContact CG1-CG1 3.98Å; V269-A285 HydrophobicContact CG2-CB 3.87Å; V269-M286 WeakPolarHBondContact O-CE 3.46Å; V269-M286 WeakPolarHBondContact O-CG 3.32Å; V269-F302 HydrophobicContact CG1-CE1 4.14Å; V269-F302 HydrophobicContact CG1-CZ 4.09Å; V269-S315 CarbonylContact C-O 3.58Å; V269-S315 VanDerWaalsContact CA-O 3.31Å; V269-S315 WeakPolarHBondContact CA-O 3.32Å
270L88.5Confident82.5Confident118 Ų11858.8 Ų58.862%0.61836%0.356SS*.EExtended strand (participates in β ladder)trans-104.1129.7174.7-62.2179.4000109.6D268 C314 S315D268-L270 PolarHBondContact O-N 2.9Å; D268-L270 VanDerWaalsContact O-N 3.11Å; L270-C314 CarbonylContact O-C 3.41Å; L270-C314 WeakPolarHBondContact O-CA 3.39Å; L270-C314 WeakPolarHBondContact O-CB 3.32Å; L270-S315 PolarHBondContact N-O 3.38Å; L270-S315 PolarHBondContact O-N 2.55Å
271V89.4Confident81.4Confident45 Ų4556.7 Ų56.727%0.27334%0.343SS..EExtended strand (participates in β ladder)trans-113.2151.5-176.3-63.50000112.9V269 V275 L278 M286 F302 C314V269-V271 HydrophobicContact CG1-CG1 4.24Å; V271-V275 HydrophobicContact CB-CG2 4.23Å; V271-L278 HydrophobicContact CB-CD1 4.31Å; V271-L278 HydrophobicContact CG1-CD1 4.09Å; V271-L278 HydrophobicContact CG1-CD2 4.48Å; V271-L278 HydrophobicContact CG2-CD1 3.66Å; V271-L278 HydrophobicContact CG2-CD2 4.3Å; V271-M286 HydrophobicContact CG1-CE 4.31Å; V271-M286 HydrophobicContact CG2-CE 3.97Å; V271-F302 HydrophobicContact CG1-CD1 3.79Å; V271-F302 HydrophobicContact CG1-CE1 3.51Å; V271-C314 HydrophobicContact CG1-CB 4.17Å
272H87Confident80.9Confident49 Ų4950.9 Ų50.923%0.22731%0.305CS..  trans-69.2144.3172-164.6-96000111.3C274 V275 F311 R312 L313H272-C274 WeakPolarHBondContact ND1-CB 3.39Å; H272-C274 PolarHBondContact ND1-N 3.18Å; H272-C274 PolarHBondContact ND1-SG 2.86Å; H272-C274 PolarHBondContact O-N 2.83Å; H272-V275 WeakPolarHBondContact O-CB 3.33Å; H272-V275 WeakPolarHBondContact O-CG2 3.31Å; H272-V275 PolarHBondContact O-N 3.3Å; H272-F311 HydrophobicContact CB-CD2 4.28Å; H272-F311 HydrophobicContact CB-CE2 4.34Å; H272-F311 AromaticContact CD2-CD2 3.94Å; H272-F311 AromaticContact CG-CD2 3.79Å; H272-F311 AromaticContact ND1-CD2 3.92Å; H272-R312 VanDerWaalsContact CB-O 3.3Å; H272-R312 WeakPolarHBondContact CB-O 3.08Å; H272-R312 PolarHBondContact CD2-O 2.91Å; H272-L313 WeakPolarHBondContact CB-O 3.45Å; H272-L313 PolarHBondContact N-O 2.94Å
273P83.9Confident80.4Confident105 Ų10547.7 Ų47.768%0.68229%0.288SS*.THydrogen-bonded Turntrans-59.1-14.1177.7-27.235.6000115.7V275P273-V275 PolarHBondContact O-N 3.05Å
274C84.3Confident79.8Confident4 Ų450.7 Ų50.73%0.02730%0.303CS..THydrogen-bonded Turntrans-75.7-10.8176.772.20000113.6W201 H272 S276 F304 S305 F311W201-C274 HydrophobicContact CH2-CB 4.41Å; W201-C274 HydrophobicContact CZ2-CB 3.72Å; H272-C274 WeakPolarHBondContact ND1-CB 3.39Å; H272-C274 PolarHBondContact ND1-N 3.18Å; H272-C274 PolarHBondContact ND1-SG 2.86Å; H272-C274 PolarHBondContact O-N 2.83Å; C274-S276 PolarHBondContact O-N 2.94Å; C274-F304 HydrophobicContact CB-CB 4.45Å; C274-F304 VanDerWaalsContact O-CA 3.25Å; C274-F304 WeakPolarHBondContact O-CA 3.48Å; C274-F304 WeakPolarHBondContact O-CB 3.33Å; C274-S305 WeakPolarHBondContact CB-O 3.44Å; C274-S305 PolarHBondContact O-N 2.89Å; C274-F311 WeakPolarHBondContact SG-CE2 3.2Å
275V88.5Confident78.6Confident18 Ų1850.4 Ų50.411%0.10930%0.302CS..BIsolated β-bridgetrans-72.5120176.1-179.70000109V271 H272 P273 L278 F302 P303 F304 L313V271-V275 HydrophobicContact CB-CG2 4.23Å; H272-V275 WeakPolarHBondContact O-CB 3.33Å; H272-V275 WeakPolarHBondContact O-CG2 3.31Å; H272-V275 PolarHBondContact O-N 3.3Å; P273-V275 PolarHBondContact O-N 3.05Å; V275-L278 HydrophobicContact CG1-CD1 3.72Å; V275-F302 HydrophobicContact CG2-CB 4.49Å; V275-P303 CarbonylContact C-O 3.55Å; V275-P303 VanDerWaalsContact CA-O 3.32Å; V275-P303 WeakPolarHBondContact CA-O 3.17Å; V275-P303 WeakPolarHBondContact CG1-O 3.42Å; V275-F304 HydrophobicContact CG2-CB 4.23Å; V275-L313 HydrophobicContact CG2-CD1 3.69Å
276S83.3Confident77.4Confident81 Ų8151.1 Ų51.157%0.56630%0.301SS*.  trans-82-25.1-17055.60000113.8C274 P303C274-S276 PolarHBondContact O-N 2.94Å; S276-P303 PolarHBondContact N-O 3.38Å; S276-P303 PolarHBondContact OG-O 2.94Å
277S79.2Confident75.9Confident67 Ų6753.8 Ų53.847%0.46932%0.32SS..  trans-154.8135.7178.858.40000110P303S277-P303 WeakPolarHBondContact O-CD 3.42Å; S277-P303 WeakPolarHBondContact OG-CG 3.27Å
278L74.9Confident74.1Confident46 Ų4656.6 Ų56.624%0.24134%0.342CS..  trans-94.3133.7166-100.866.2000109.2V271 V275 V282 L283 M286V271-L278 HydrophobicContact CB-CD1 4.31Å; V271-L278 HydrophobicContact CG1-CD1 4.09Å; V271-L278 HydrophobicContact CG1-CD2 4.48Å; V271-L278 HydrophobicContact CG2-CD1 3.66Å; V271-L278 HydrophobicContact CG2-CD2 4.3Å; V275-L278 HydrophobicContact CG1-CD1 3.72Å; L278-V282 HydrophobicContact CB-CB 4.3Å; L278-V282 HydrophobicContact CD2-CB 3.9Å; L278-V282 HydrophobicContact CD2-CG1 3.41Å; L278-V282 VanDerWaalsContact CD2-CG1 3.41Å; L278-V282 HydrophobicContact CG-CB 3.84Å; L278-V282 HydrophobicContact CG-CG1 3.67Å; L278-V282 HydrophobicContact CG-CG2 4.48Å; L278-L283 HydrophobicContact CB-CD2 4.09Å; L278-L283 HydrophobicContact CB-CG 4.22Å; L278-L283 HydrophobicContact CD2-CD2 3.95Å; L278-M286 HydrophobicContact CD2-CE 3.45Å; L278-M286 VanDerWaalsContact CD2-CE 3.45Å; L278-M286 HydrophobicContact CD2-SD 3.35Å; L278-M286 WeakPolarHBondContact CD2-SD 3.42Å
279D70Confident72.3Confident75 Ų7561.5 Ų61.540%0.40136%0.363SS..  trans-69.3154.3168.4-171.49.7000109.7S281 V282 L283D279-S281 WeakPolarHBondContact CB-OG 3.49Å; D279-S281 VanDerWaalsContact CG-OG 3.25Å; D279-S281 PolarHBondContact O-N 3.25Å; D279-S281 VanDerWaalsContact O-N 3.12Å; D279-S281 PolarHBondContact OD2-OG 2.68Å; D279-V282 HydrophobicContact CB-CG2 4.43Å; D279-V282 PolarHBondContact O-N 3.16Å; D279-L283 PolarHBondContact O-N 3.34Å
280A62.4Low70.4Confident65 Ų6570 Ų7054%0.53741%0.408SS..Hα-helixtrans-54-33.1178.300000111.8L283 T284A280-L283 WeakPolarHBondContact O-CB 3.5Å; A280-L283 PolarHBondContact O-N 3.22Å; A280-T284 PolarHBondContact O-N 3.32Å; A280-T284 PolarHBondContact O-OG1 3Å; A280-T284 VanDerWaalsContact O-OG1 3.11Å
281S64.4Low68.3Low11 Ų1168.9 Ų68.98%0.07741%0.409CS..Hα-helixtrans-60.6-41.2173.649.90000114.7D279 L283 T284 A285 F296D279-S281 WeakPolarHBondContact CB-OG 3.49Å; D279-S281 VanDerWaalsContact CG-OG 3.25Å; D279-S281 PolarHBondContact O-N 3.25Å; D279-S281 VanDerWaalsContact O-N 3.12Å; D279-S281 PolarHBondContact OD2-OG 2.68Å; S281-L283 VanDerWaalsContact C-N 3.33Å; S281-T284 PolarHBondContact O-N 3.37Å; S281-A285 PolarHBondContact O-N 2.94Å; S281-A285 VanDerWaalsContact O-N 3.13Å; S281-F296 VanDerWaalsContact CB-CZ 3.45Å
282V68.4Low66.2Low0 Ų073.6 Ų73.60%043%0.433CS..Hα-helixtrans-70.9-35.6177.1-171.40000109.9V269 L278 D279 A285 M286 Y300 F302V269-V282 HydrophobicContact CB-CG1 4.3Å; V269-V282 HydrophobicContact CG1-CG1 3.98Å; L278-V282 HydrophobicContact CB-CB 4.3Å; L278-V282 HydrophobicContact CD2-CB 3.9Å; L278-V282 HydrophobicContact CD2-CG1 3.41Å; L278-V282 VanDerWaalsContact CD2-CG1 3.41Å; L278-V282 HydrophobicContact CG-CB 3.84Å; L278-V282 HydrophobicContact CG-CG1 3.67Å; L278-V282 HydrophobicContact CG-CG2 4.48Å; D279-V282 HydrophobicContact CB-CG2 4.43Å; D279-V282 PolarHBondContact O-N 3.16Å; V282-A285 PolarHBondContact O-N 2.87Å; V282-M286 VanDerWaalsContact O-CG 3.3Å; V282-M286 WeakPolarHBondContact O-CG 3.39Å; V282-M286 PolarHBondContact O-N 3.17Å; V282-Y300 HydrophobicContact CG2-CD1 4.22Å; V282-F302 HydrophobicContact CG1-CE1 4.16Å; V282-F302 HydrophobicContact CG2-CE1 4.36Å; V282-F302 HydrophobicContact CG2-CZ 4.5Å
283L67.3Low64.3Low97 Ų9777.3 Ų77.351%0.50846%0.464SS..Hα-helixtrans-66-36.7175.4-63174.9000112.1L278 D279 A280 S281 M286 S287L278-L283 HydrophobicContact CB-CD2 4.09Å; L278-L283 HydrophobicContact CB-CG 4.22Å; L278-L283 HydrophobicContact CD2-CD2 3.95Å; D279-L283 PolarHBondContact O-N 3.34Å; A280-L283 WeakPolarHBondContact O-CB 3.5Å; A280-L283 PolarHBondContact O-N 3.22Å; S281-L283 VanDerWaalsContact C-N 3.33Å; L283-M286 HydrophobicContact CD2-SD 4.32Å; L283-M286 WeakPolarHBondContact O-CB 3.44Å; L283-M286 PolarHBondContact O-N 3.04Å; L283-S287 PolarHBondContact O-N 3.3Å
284T65.3Low62.8Low78 Ų7877.6 Ų77.648%0.47947%0.469SS..Hα-helixtrans-64.8-44172.2-53.90000111.5A280 S281 M286 S287A280-T284 PolarHBondContact O-N 3.32Å; A280-T284 PolarHBondContact O-OG1 3Å; A280-T284 VanDerWaalsContact O-OG1 3.11Å; S281-T284 PolarHBondContact O-N 3.37Å; T284-M286 PolarHBondContact O-N 3.43Å; T284-S287 PolarHBondContact O-N 2.99Å; T284-S287 PolarHBondContact O-OG 3.12Å
285A60.2Low61.5Low10 Ų1080 Ų808%0.08349%0.485CS..Hα-helixtrans-67.2-15175.800000114.1L266 D268 V269 S281 V282 Y300L266-A285 WeakPolarHBondContact O-CB 3.44Å; D268-A285 PolarHBondContact N-O 3.3Å; V269-A285 HydrophobicContact CG2-CB 3.87Å; S281-A285 PolarHBondContact O-N 2.94Å; S281-A285 VanDerWaalsContact O-N 3.13Å; V282-A285 PolarHBondContact O-N 2.87Å; A285-Y300 HydrophobicContact CB-CE1 3.97Å
286M60.3Low60.3Low63 Ų6383.1 Ų83.131%0.3150%0.498SS..THydrogen-bonded Turntrans-90-13.6172.4-77.4178.615500113.5V269 V271 L278 V282 L283 T284V269-M286 WeakPolarHBondContact O-CE 3.46Å; V269-M286 WeakPolarHBondContact O-CG 3.32Å; V271-M286 HydrophobicContact CG1-CE 4.31Å; V271-M286 HydrophobicContact CG2-CE 3.97Å; L278-M286 HydrophobicContact CD2-CE 3.45Å; L278-M286 VanDerWaalsContact CD2-CE 3.45Å; L278-M286 HydrophobicContact CD2-SD 3.35Å; L278-M286 WeakPolarHBondContact CD2-SD 3.42Å; V282-M286 VanDerWaalsContact O-CG 3.3Å; V282-M286 WeakPolarHBondContact O-CG 3.39Å; V282-M286 PolarHBondContact O-N 3.17Å; L283-M286 HydrophobicContact CD2-SD 4.32Å; L283-M286 WeakPolarHBondContact O-CB 3.44Å; L283-M286 PolarHBondContact O-N 3.04Å; T284-M286 PolarHBondContact O-N 3.43Å
287S56.7Low59.3Low59 Ų5981.8 Ų81.841%0.41349%0.489SS..  trans-81.7137.7-17571.50000111.7L283 T284 E289L283-S287 PolarHBondContact O-N 3.3Å; T284-S287 PolarHBondContact O-N 2.99Å; T284-S287 PolarHBondContact O-OG 3.12Å; S287-E289 VanDerWaalsContact C-N 3.29Å
288V50Low58.7Low140 Ų14079.7 Ų79.785%0.84848%0.477SS*.  trans-88.34.5-175.3-166.30000111.7
289E47.5Very low59.1Low160 Ų16080.3 Ų80.375%0.74848%0.484SS*.  trans-84.9130.4-176.7-68.5-168.1171.500111.7S287 C291S287-E289 VanDerWaalsContact C-N 3.29Å; E289-C291 PolarHBondContact O-N 3.31Å
290D46.2Very low60Low180 Ų18076.8 Ų76.896%0.96347%0.465SS*.  trans-71.851.1-177.6-134.83.1000111.4
291C44.8Very low61.3Low94 Ų9478.5 Ų78.564%0.63546%0.46SS*.  trans-89.3119.7179.3-102.10000110.3E289 S293 S295E289-C291 PolarHBondContact O-N 3.31Å; C291-S293 PolarHBondContact O-N 2.91Å; C291-S295 PolarHBondContact O-OG 3.16Å
292D46.1Very low62.7Low143 Ų14378 Ų7877%0.76546%0.457SS*.  trans1299.5168.4-77.1-16.4000114.6S294 S295D292-S294 PolarHBondContact O-N 3.45Å; D292-S294 PolarHBondContact O-OG 3.38Å; D292-S295 PolarHBondContact O-OG 2.96Å
293S46.4Very low63.8Low127 Ų12778.9 Ų78.989%0.88846%0.463SS*.SBendtrans-58.134.9-17563.40000117.1C291C291-S293 PolarHBondContact O-N 2.91Å
294S52.7Low64.9Low112 Ų11274.3 Ų74.378%0.78344%0.438SS*.  trans-103.917.1171.963.20000112.2D292 F296D292-S294 PolarHBondContact O-N 3.45Å; D292-S294 PolarHBondContact O-OG 3.38Å; S294-F296 PolarHBondContact O-N 3.32Å; S294-F296 VanDerWaalsContact O-N 3.16Å
295S58Low65.9Low53 Ų5371.8 Ų71.837%0.37142%0.424SS..  trans-83.292.7-159.2-31.70000112.2C291 D292C291-S295 PolarHBondContact O-OG 3.16Å; D292-S295 PolarHBondContact O-OG 2.96Å
296F62.1Low67Low85 Ų8571.7 Ų71.737%0.37342%0.423SS..  trans49.6108.3160.7-171.5-97.5000118.4S281 S294 G298 Y300S281-F296 VanDerWaalsContact CB-CZ 3.45Å; S294-F296 PolarHBondContact O-N 3.32Å; S294-F296 VanDerWaalsContact O-N 3.16Å; F296-G298 VanDerWaalsContact CE1-N 3.32Å; F296-G298 VanDerWaalsContact CZ-C 3.43Å; F296-G298 PolarHBondContact O-N 3.29Å; F296-Y300 HydrophobicContact CD1-CE1 4.25Å; F296-Y300 HydrophobicContact CE1-CE1 4.33Å; F296-Y300 HydrophobicContact CE1-CE2 4.47Å; F296-Y300 PolarHBondContact O-OH 2.91Å
297S62.4Low68.1Low53 Ų5368.8 Ų68.837%0.37141%0.408SS..  trans-94.324.9176.954.60000114.9L259L259-S297 WeakPolarHBondContact CB-O 3.46Å
298G67Low68.9Low22 Ų2268.6 Ų68.623%0.22740%0.403CS..  trans93.5175.917700000114.5F296F296-G298 VanDerWaalsContact CE1-N 3.32Å; F296-G298 VanDerWaalsContact CZ-C 3.43Å; F296-G298 PolarHBondContact O-N 3.29Å
299P83.2Confident70.2Confident59 Ų5965.5 Ų65.538%0.38338%0.379SS..  cis-78.7144.215.329.5-35.3000115.1T256 L257 T258T256-P299 HydrophobicContact CG2-CB 3.57Å; L257-P299 WeakPolarHBondContact O-CA 3.31Å; T258-P299 HydrophobicContact CG2-CB 4.21Å
300Y88.5Confident72Confident2 Ų261.3 Ų61.31%0.00837%0.365CS..EExtended strand (participates in β ladder)trans-98.6119.6174.1-60.2-98.5000110T256 L257 L259 L266 V282 A285 F296T256-Y300 CarbonylContact C-O 3.59Å; T256-Y300 VanDerWaalsContact CA-O 3.26Å; T256-Y300 WeakPolarHBondContact CA-O 3.19Å; L257-Y300 PolarHBondContact N-O 3.18Å; L257-Y300 PolarHBondContact O-N 3.27Å; L259-Y300 HydrophobicContact CD1-CE2 3.97Å; L266-Y300 HydrophobicContact CB-CE1 4.34Å; L266-Y300 HydrophobicContact CB-CE2 4.33Å; L266-Y300 HydrophobicContact CD1-CD2 3.92Å; L266-Y300 HydrophobicContact CD1-CE2 3.98Å; L266-Y300 HydrophobicContact CD1-CG 4.3Å; L266-Y300 HydrophobicContact CG-CD2 4.41Å; L266-Y300 HydrophobicContact CG-CE2 3.95Å; V282-Y300 HydrophobicContact CG2-CD1 4.22Å; A285-Y300 HydrophobicContact CB-CE1 3.97Å; F296-Y300 HydrophobicContact CD1-CE1 4.25Å; F296-Y300 HydrophobicContact CE1-CE1 4.33Å; F296-Y300 HydrophobicContact CE1-CE2 4.47Å; F296-Y300 PolarHBondContact O-OH 2.91Å
301K90.6Very high73.8Confident101 Ų10153.5 Ų53.544%0.43932%0.323SS..EExtended strand (participates in β ladder)trans-111.1130.8-174.1-64.1178.4-176.11730111.5T254 T256 P303T254-K301 HydrophobicContact CG2-CB 4.33Å; T256-K301 HydrophobicContact CG2-CG 3.93Å; K301-P303 WeakPolarHBondContact O-CD 3.29Å
302F92Very high76Confident0 Ų055.1 Ų55.10%032%0.316CS..EExtended strand (participates in β ladder)trans-12290.5179.2-56.2-82.8000108.9T254 V255 L257 V269 V271 V275 V282 F304 L313 C314T254-F302 WeakPolarHBondContact CA-O 3.31Å; V255-F302 PolarHBondContact N-O 3.36Å; V255-F302 PolarHBondContact O-N 3.32Å; L257-F302 HydrophobicContact CD1-CE2 3.63Å; L257-F302 HydrophobicContact CD1-CZ 4.23Å; L257-F302 HydrophobicContact CG-CD2 4.26Å; L257-F302 HydrophobicContact CG-CE2 3.68Å; V269-F302 HydrophobicContact CG1-CE1 4.14Å; V269-F302 HydrophobicContact CG1-CZ 4.09Å; V271-F302 HydrophobicContact CG1-CD1 3.79Å; V271-F302 HydrophobicContact CG1-CE1 3.51Å; V275-F302 HydrophobicContact CG2-CB 4.49Å; V282-F302 HydrophobicContact CG1-CE1 4.16Å; V282-F302 HydrophobicContact CG2-CE1 4.36Å; V282-F302 HydrophobicContact CG2-CZ 4.5Å; F302-F304 HydrophobicContact CB-CD1 4.48Å; F302-F304 WeakPolarHBondContact O-CD1 3.48Å; F302-F304 WeakPolarHBondContact O-CE1 3.43Å; F302-L313 HydrophobicContact CB-CD1 4.32Å; F302-L313 HydrophobicContact CB-CD2 4.06Å; F302-L313 HydrophobicContact CB-CG 4.39Å; F302-L313 HydrophobicContact CG-CD2 4.49Å; F302-C314 HydrophobicContact CE1-CB 4.23Å; F302-C314 HydrophobicContact CZ-CB 4.47Å
303P91.9Very high78.2Confident19 Ų1948.3 Ų48.312%0.12328%0.279CS..EExtended strand (participates in β ladder)trans-78.8129.3169.131-31.9000110V253 V275 S276 S277 K301V253-P303 CarbonylContact O-C 3.59Å; V253-P303 WeakPolarHBondContact O-CA 3.46Å; V275-P303 CarbonylContact C-O 3.55Å; V275-P303 VanDerWaalsContact CA-O 3.32Å; V275-P303 WeakPolarHBondContact CA-O 3.17Å; V275-P303 WeakPolarHBondContact CG1-O 3.42Å; S276-P303 PolarHBondContact N-O 3.38Å; S276-P303 PolarHBondContact OG-O 2.94Å; S277-P303 WeakPolarHBondContact O-CD 3.42Å; S277-P303 WeakPolarHBondContact OG-CG 3.27Å; K301-P303 WeakPolarHBondContact O-CD 3.29Å
304F90.4Very high80.4Confident0 Ų042.4 Ų42.40%024%0.238CC..EExtended strand (participates in β ladder)trans-150.1160.6-177.657.9-86.7000113.5V253 V255 C274 V275 F302 P306 F311 L313V253-F304 HydrophobicContact CB-CD2 4.31Å; V253-F304 HydrophobicContact CB-CE1 4.27Å; V253-F304 HydrophobicContact CB-CE2 3.82Å; V253-F304 HydrophobicContact CB-CZ 3.81Å; V253-F304 HydrophobicContact CG1-CE1 4.04Å; V253-F304 HydrophobicContact CG1-CE2 4.03Å; V253-F304 HydrophobicContact CG1-CZ 3.54Å; V253-F304 PolarHBondContact N-O 3.49Å; V253-F304 VanDerWaalsContact O-CD1 3.3Å; V253-F304 WeakPolarHBondContact O-CD1 3.34Å; V253-F304 PolarHBondContact O-N 2.85Å; V255-F304 HydrophobicContact CB-CE1 4.08Å; V255-F304 HydrophobicContact CG2-CE1 3.67Å; V255-F304 HydrophobicContact CG2-CZ 3.83Å; C274-F304 HydrophobicContact CB-CB 4.45Å; C274-F304 VanDerWaalsContact O-CA 3.25Å; C274-F304 WeakPolarHBondContact O-CA 3.48Å; C274-F304 WeakPolarHBondContact O-CB 3.33Å; V275-F304 HydrophobicContact CG2-CB 4.23Å; F302-F304 HydrophobicContact CB-CD1 4.48Å; F302-F304 WeakPolarHBondContact O-CD1 3.48Å; F302-F304 WeakPolarHBondContact O-CE1 3.43Å; F304-P306 HydrophobicContact CD2-CB 4.02Å; F304-P306 HydrophobicContact CE2-CB 3.89Å; F304-P306 HydrophobicContact CE2-CG 4.47Å; F304-F311 AromaticContact CD2-CZ 3.85Å; F304-F311 HydrophobicContact CD2-CZ 3.85Å; F304-F311 HydrophobicContact CE2-CE1 4.33Å; F304-F311 AromaticContact CE2-CZ 3.61Å; F304-F311 HydrophobicContact CE2-CZ 3.61Å; F304-F311 HydrophobicContact CZ-CZ 4.33Å; F304-L313 HydrophobicContact CB-CD1 4.49Å; F304-L313 HydrophobicContact CD1-CD1 3.39Å; F304-L313 HydrophobicContact CD1-CD2 4.19Å; F304-L313 HydrophobicContact CD1-CG 4.45Å; F304-L313 HydrophobicContact CD2-CD1 4.39Å; F304-L313 HydrophobicContact CE1-CD1 3.54Å; F304-L313 HydrophobicContact CE1-CD2 3.54Å; F304-L313 HydrophobicContact CE1-CG 4.19Å; F304-L313 HydrophobicContact CE2-CD1 4.5Å; F304-L313 HydrophobicContact CG-CD1 3.87Å; F304-L313 HydrophobicContact CZ-CD1 4.11Å; F304-L313 HydrophobicContact CZ-CD2 4.1Å
305S86.7Confident82.4Confident26 Ų2637.2 Ų37.218%0.18220%0.202CC..  trans-101106.3165.6-66.50000109.1W201 C274W201-S305 PolarHBondContact NE1-O 3.27Å; C274-S305 WeakPolarHBondContact CB-O 3.44Å; C274-S305 PolarHBondContact O-N 2.89Å
306P84.4Confident84.1Confident8 Ų834.7 Ų34.75%0.05218%0.184CC..  trans-67.3141-16822.6-31.2000113.8C244 V246 P251 V253 F304 F311C244-P306 HydrophobicContact CB-CB 3.46Å; C244-P306 VanDerWaalsContact CB-CB 3.46Å; C244-P306 HydrophobicContact CB-CG 3.56Å; V246-P306 HydrophobicContact CG2-CG 4.32Å; P251-P306 HydrophobicContact CG-CG 4.35Å; P251-P306 VanDerWaalsContact O-CD 3.31Å; P251-P306 WeakPolarHBondContact O-CD 3.45Å; V253-P306 HydrophobicContact CG2-CG 4.08Å; F304-P306 HydrophobicContact CD2-CB 4.02Å; F304-P306 HydrophobicContact CE2-CB 3.89Å; F304-P306 HydrophobicContact CE2-CG 4.47Å; P306-F311 HydrophobicContact CB-CE1 4.16Å; P306-F311 HydrophobicContact CB-CZ 4.49Å
307P82.3Confident85.5Confident1 Ų131.7 Ų31.71%0.00617%0.173CC..  trans-53.6158.8152-27.436.1000113.7W201 F311W201-P307 HydrophobicContact CG-CG 4.42Å; P307-F311 HydrophobicContact CB-CD1 3.96Å; P307-F311 HydrophobicContact CB-CG 4.28Å; P307-F311 HydrophobicContact CG-CB 4.3Å; P307-F311 HydrophobicContact CG-CD1 3.83Å; P307-F311 HydrophobicContact CG-CD2 4.19Å; P307-F311 HydrophobicContact CG-CE1 4.23Å; P307-F311 HydrophobicContact CG-CG 3.83Å
308L73.2Confident86.8Confident56 Ų5629.2 Ų29.229%0.29316%0.155SC..SBendtrans-74.7-40.6176.4-68.3173.2000112.1
309E78.8Confident87.8Confident74 Ų7433.5 Ų33.535%0.34617%0.169SC..SBendtrans-82.4157.5179.2-69.7-57.1139.200112F311E309-F311 PolarHBondContact O-N 3.45Å
310P83.9Confident88Confident72 Ų7231 Ų3147%0.46815%0.153SC..  trans-54130.5170.6-21.331.7000110.9C242 K243C242-P310 WeakPolarHBondContact O-CA 3.14Å; K243-P310 HydrophobicContact CB-CB 4.36Å; K243-P310 HydrophobicContact CB-CG 4.25Å; K243-P310 HydrophobicContact CD-CG 3.95Å; K243-P310 HydrophobicContact CG-CG 3.96Å
311F85.1Confident87.9Confident16 Ų1635.9 Ų35.97%0.0719%0.185CC..EExtended strand (participates in β ladder)trans-139.8154.7-178.271.8-76.9000110.6T241 C242 H272 C274 F304 P306 P307 E309 L313T241-F311 CarbonylContact C-O 3.57Å; T241-F311 WeakPolarHBondContact CA-O 3.47Å; T241-F311 WeakPolarHBondContact CG2-O 3.44Å; C242-F311 HydrophobicContact CB-CD1 4.44Å; C242-F311 HydrophobicContact CB-CE1 3.74Å; C242-F311 HydrophobicContact CB-CZ 3.83Å; C242-F311 PolarHBondContact N-O 3.04Å; C242-F311 VanDerWaalsContact O-CD1 3.27Å; C242-F311 WeakPolarHBondContact O-CD1 3.43Å; C242-F311 PolarHBondContact O-N 3.18Å; H272-F311 HydrophobicContact CB-CD2 4.28Å; H272-F311 HydrophobicContact CB-CE2 4.34Å; H272-F311 AromaticContact CD2-CD2 3.94Å; H272-F311 AromaticContact CG-CD2 3.79Å; H272-F311 AromaticContact ND1-CD2 3.92Å; C274-F311 WeakPolarHBondContact SG-CE2 3.2Å; F304-F311 AromaticContact CD2-CZ 3.85Å; F304-F311 HydrophobicContact CD2-CZ 3.85Å; F304-F311 HydrophobicContact CE2-CE1 4.33Å; F304-F311 AromaticContact CE2-CZ 3.61Å; F304-F311 HydrophobicContact CE2-CZ 3.61Å; F304-F311 HydrophobicContact CZ-CZ 4.33Å; P306-F311 HydrophobicContact CB-CE1 4.16Å; P306-F311 HydrophobicContact CB-CZ 4.49Å; P307-F311 HydrophobicContact CB-CD1 3.96Å; P307-F311 HydrophobicContact CB-CG 4.28Å; P307-F311 HydrophobicContact CG-CB 4.3Å; P307-F311 HydrophobicContact CG-CD1 3.83Å; P307-F311 HydrophobicContact CG-CD2 4.19Å; P307-F311 HydrophobicContact CG-CE1 4.23Å; P307-F311 HydrophobicContact CG-CG 3.83Å; E309-F311 PolarHBondContact O-N 3.45Å; F311-L313 HydrophobicContact CE2-CB 4.07Å; F311-L313 HydrophobicContact CE2-CD1 4.02Å; F311-L313 HydrophobicContact CZ-CD1 4.42Å; F311-L313 PolarHBondContact O-N 2.75Å
312R89.9Confident87.9Confident129 Ų12933 Ų3349%0.48718%0.175SC..EExtended strand (participates in β ladder)trans-77112.4171.9176.3179.8-66.9-166.17.1108.5Y237 T239 V240 H272 S315Y237-R312 PolarHBondContact OH-NH1 3.31Å; T239-R312 HydrophobicContact CG2-CG 3.87Å; V240-R312 CarbonylContact O-C 3.48Å; H272-R312 VanDerWaalsContact CB-O 3.3Å; H272-R312 WeakPolarHBondContact CB-O 3.08Å; H272-R312 PolarHBondContact CD2-O 2.91Å; R312-S315 VanDerWaalsContact CD-OG 3.31Å; R312-S315 WeakPolarHBondContact CD-OG 3.38Å; R312-S315 PolarHBondContact NH1-OG 3Å
313L92.8Very high87.9Confident0 Ų033 Ų330%018%0.176CC..EExtended strand (participates in β ladder)trans-72.8-47.8177.6174.563.4000111.4V240 C242 V255 H272 V275 F302 F304 F311V240-L313 HydrophobicContact CG1-CB 4.3Å; V240-L313 HydrophobicContact CG1-CD2 4.24Å; V240-L313 PolarHBondContact O-N 3.12Å; C242-L313 HydrophobicContact CB-CB 4.46Å; V255-L313 HydrophobicContact CB-CD2 3.71Å; V255-L313 HydrophobicContact CG1-CD2 4.04Å; V255-L313 HydrophobicContact CG2-CD2 3.97Å; H272-L313 WeakPolarHBondContact CB-O 3.45Å; H272-L313 PolarHBondContact N-O 2.94Å; V275-L313 HydrophobicContact CG2-CD1 3.69Å; F302-L313 HydrophobicContact CB-CD1 4.32Å; F302-L313 HydrophobicContact CB-CD2 4.06Å; F302-L313 HydrophobicContact CB-CG 4.39Å; F302-L313 HydrophobicContact CG-CD2 4.49Å; F304-L313 HydrophobicContact CB-CD1 4.49Å; F304-L313 HydrophobicContact CD1-CD1 3.39Å; F304-L313 HydrophobicContact CD1-CD2 4.19Å; F304-L313 HydrophobicContact CD1-CG 4.45Å; F304-L313 HydrophobicContact CD2-CD1 4.39Å; F304-L313 HydrophobicContact CE1-CD1 3.54Å; F304-L313 HydrophobicContact CE1-CD2 3.54Å; F304-L313 HydrophobicContact CE1-CG 4.19Å; F304-L313 HydrophobicContact CE2-CD1 4.5Å; F304-L313 HydrophobicContact CG-CD1 3.87Å; F304-L313 HydrophobicContact CZ-CD1 4.11Å; F304-L313 HydrophobicContact CZ-CD2 4.1Å; F311-L313 HydrophobicContact CE2-CB 4.07Å; F311-L313 HydrophobicContact CE2-CD1 4.02Å; F311-L313 HydrophobicContact CZ-CD1 4.42Å; F311-L313 PolarHBondContact O-N 2.75Å
314C93.6Very high88Confident2 Ų232.1 Ų32.11%0.01417%0.17CC..EExtended strand (participates in β ladder)trans-155163.717463.60000111.9V240 L270 V271 F302V240-C314 PolarHBondContact N-O 3.32Å; V240-C314 PolarHBondContact O-N 2.99Å; L270-C314 CarbonylContact O-C 3.41Å; L270-C314 WeakPolarHBondContact O-CA 3.39Å; L270-C314 WeakPolarHBondContact O-CB 3.32Å; V271-C314 HydrophobicContact CG1-CB 4.17Å; F302-C314 HydrophobicContact CE1-CB 4.23Å; F302-C314 HydrophobicContact CZ-CB 4.47Å
315S93.9Very high88.3Confident3 Ų332.1 Ų32.12%0.02117%0.17CC..EExtended strand (participates in β ladder)trans-128.8156.8167.7-71.70000109.3Y237 G238 T239 V269 L270 R312Y237-S315 VanDerWaalsContact OH-CB 3.31Å; Y237-S315 WeakPolarHBondContact OH-CB 3.18Å; Y237-S315 PolarHBondContact OH-OG 2.84Å; G238-S315 CarbonylContact O-C 3.55Å; G238-S315 WeakPolarHBondContact O-CA 3.47Å; T239-S315 PolarHBondContact OG1-OG 3.4Å; V269-S315 CarbonylContact C-O 3.58Å; V269-S315 VanDerWaalsContact CA-O 3.31Å; V269-S315 WeakPolarHBondContact CA-O 3.32Å; L270-S315 PolarHBondContact N-O 3.38Å; L270-S315 PolarHBondContact O-N 2.55Å; R312-S315 VanDerWaalsContact CD-OG 3.31Å; R312-S315 WeakPolarHBondContact CD-OG 3.38Å; R312-S315 PolarHBondContact NH1-OG 3Å
316Y92.9Very high88.8Confident1 Ų134.1 Ų34.10%0.00418%0.178CC..EExtended strand (participates in β ladder)trans-152.1161.2177.859.6-98.7000110.3L216 E218 Y237 G238 V240 L257 L266 C445L216-Y316 HydrophobicContact CD1-CE1 3.87Å; L216-Y316 WeakPolarHBondContact CD1-OH 3.43Å; E218-Y316 PolarHBondContact OE1-OH 3.5Å; Y237-Y316 CarbonylContact C-O 3.56Å; Y237-Y316 WeakPolarHBondContact CA-O 3.48Å; G238-Y316 PolarHBondContact N-O 2.89Å; G238-Y316 PolarHBondContact O-N 3.23Å; V240-Y316 HydrophobicContact CG2-CE1 4.37Å; L257-Y316 HydrophobicContact CD1-CE1 4.38Å; L266-Y316 HydrophobicContact CB-CD2 4.49Å; L266-Y316 HydrophobicContact CB-CG 4.45Å; L266-Y316 HydrophobicContact CD1-CD1 4.18Å; L266-Y316 HydrophobicContact CD1-CE1 4.38Å; L266-Y316 HydrophobicContact CD1-CG 4.24Å; L266-Y316 HydrophobicContact CD2-CD2 3.61Å; L266-Y316 HydrophobicContact CD2-CE2 3.56Å; L266-Y316 HydrophobicContact CD2-CG 4.13Å; L266-Y316 HydrophobicContact CG-CD2 4.42Å; Y316-C445 VanDerWaalsContact OH-CB 3.31Å; Y316-C445 WeakPolarHBondContact OH-CB 3.37Å
317T92.2Very high89.2Confident22 Ų2234 Ų3414%0.13518%0.179CC..EExtended strand (participates in β ladder)trans-104.8158.5164.860.80000109.4V236 Y237 M267 D268V236-T317 CarbonylContact O-C 3.41Å; V236-T317 VanDerWaalsContact O-CA 3.24Å; V236-T317 WeakPolarHBondContact O-CA 3.31Å; Y237-T317 HydrophobicContact CD2-CG2 4.41Å; M267-T317 WeakPolarHBondContact CB-OG1 3.45Å; M267-T317 PolarHBondContact N-O 3.35Å; M267-T317 PolarHBondContact O-N 3.39Å; M267-T317 PolarHBondContact O-OG1 2.9Å; D268-T317 HydrophobicContact CB-CG2 4.14Å; D268-T317 WeakPolarHBondContact CB-OG1 3.37Å; D268-T317 PolarHBondContact OD2-OG1 2.86Å
318S90.3Very high89.8Confident0 Ų037.3 Ų37.30%020%0.199CC..EExtended strand (participates in β ladder)trans-150.5139.9172.4-167.30000110.9V236 S264 P265V236-S318 PolarHBondContact N-O 2.92Å; V236-S318 PolarHBondContact O-N 3.27Å; S264-S318 WeakPolarHBondContact CB-OG 3.45Å; P265-S318 PolarHBondContact O-OG 2.92Å
319Q86.8Confident90.7Very high113 Ų11334.7 Ų34.753%0.52819%0.185SC..  trans-94.897.4176.9-67.3-65.2-12.700109.4S264S264-Q319 VanDerWaalsContact CB-O 3.22Å; S264-Q319 WeakPolarHBondContact CB-O 3.3Å; S264-Q319 PolarHBondContact OG-O 3.45Å
320V88.6Confident91.3Very high7 Ų734.5 Ų34.54%0.04219%0.185CC..  trans-86151178.1-63.50000110.8W234 V236 S264 V322 L442W234-V320 PolarHBondContact NE1-O 2.89Å; V236-V320 HydrophobicContact CB-CG1 4.4Å; V236-V320 HydrophobicContact CG2-CB 4.31Å; V236-V320 HydrophobicContact CG2-CG1 3.68Å; V236-V320 HydrophobicContact CG2-CG2 3.67Å; S264-V320 WeakPolarHBondContact OG-CA 3.43Å; V320-V322 PolarHBondContact O-N 3.22Å; V320-L442 HydrophobicContact CB-CD2 4.35Å; V320-L442 HydrophobicContact CB-CG 4.3Å; V320-L442 HydrophobicContact CG1-CB 4.29Å; V320-L442 HydrophobicContact CG1-CD2 4.37Å; V320-L442 HydrophobicContact CG1-CG 4.09Å; V320-L442 HydrophobicContact CG2-CD2 3.74Å; V320-L442 HydrophobicContact CG2-CG 4.23Å
321P85.9Confident91.5Very high103 Ų10331.1 Ų31.167%0.66916%0.163SC*.SBendtrans-73.9-26.5-171.827.3-35.6000114.3W234W234-P321 VanDerWaalsContact CZ2-O 3.26Å; W234-P321 WeakPolarHBondContact CZ2-O 3.49Å
322V89.6Confident91.6Very high40 Ų4035.7 Ų35.724%0.24218%0.182CC..SBendtrans-149.9140.9-176.2-170.40000109.1V320 L326V320-V322 PolarHBondContact O-N 3.22Å; V322-L326 HydrophobicContact CG1-CD1 4.16Å; V322-L326 HydrophobicContact CG1-CD2 4.44Å; V322-L326 HydrophobicContact CG1-CG 4.43Å
323P93.1Very high91.2Very high1 Ų133.1 Ų33.11%0.00618%0.178CC..  trans-73.5156.517534.7-38.8000111.2W234 I325 L326 Y473W234-P323 HydrophobicContact CB-CB 4.18Å; W234-P323 HydrophobicContact CD2-CB 4.32Å; W234-P323 HydrophobicContact CD2-CG 4.14Å; W234-P323 HydrophobicContact CE3-CG 4.15Å; W234-P323 HydrophobicContact CG-CB 4.06Å; W234-P323 HydrophobicContact CG-CG 4.4Å; P323-I325 PolarHBondContact O-N 3.42Å; P323-L326 HydrophobicContact CG-CD2 3.68Å; P323-Y473 HydrophobicContact CB-CE2 4.42Å; P323-Y473 WeakPolarHBondContact CB-OH 3.36Å
324P94.5Very high90.5Very high1 Ų135.9 Ų35.91%0.00619%0.193CC..SBendtrans-60-38.1-172.5-29.437.6000115.8V220 H347 V350 F435 L442 L468V220-P324 HydrophobicContact CG1-CG 4.13Å; V220-P324 HydrophobicContact CG2-CG 4.43Å; P324-H347 WeakPolarHBondContact O-CB 3.48Å; P324-H347 PolarHBondContact O-N 2.91Å; P324-V350 HydrophobicContact CB-CG2 3.77Å; P324-F435 HydrophobicContact CB-CE2 4.48Å; P324-F435 HydrophobicContact CB-CZ 4.14Å; P324-F435 HydrophobicContact CG-CE2 4.49Å; P324-F435 HydrophobicContact CG-CZ 4.15Å; P324-L442 HydrophobicContact CG-CD1 3.82Å; P324-L442 HydrophobicContact CG-CD2 3.58Å; P324-L442 HydrophobicContact CG-CG 4.37Å; P324-L468 HydrophobicContact CG-CD2 3.93Å
325I96.6Very high89.3Confident0 Ų043.2 Ų43.20%023%0.232CC..EExtended strand (participates in β ladder)trans-129.4114.8-177.2-60.9171.5000108.3Q224 P323 L344 K345 L346 F354 F398 L433 F435 Y473Q224-I325 PolarHBondContact NE2-O 3.41Å; P323-I325 PolarHBondContact O-N 3.42Å; I325-L344 HydrophobicContact CG2-CB 4.08Å; I325-K345 CarbonylContact C-O 3.57Å; I325-K345 WeakPolarHBondContact CA-O 3.34Å; I325-L346 HydrophobicContact CG1-CD1 4.05Å; I325-F354 HydrophobicContact CD1-CE1 4.34Å; I325-F354 HydrophobicContact CD1-CZ 4.36Å; I325-F398 HydrophobicContact CD1-CE2 4.14Å; I325-F398 HydrophobicContact CD1-CZ 3.98Å; I325-F398 HydrophobicContact CG1-CZ 4.33Å; I325-F398 HydrophobicContact CG2-CZ 4.4Å; I325-L433 HydrophobicContact CB-CD1 4.02Å; I325-L433 HydrophobicContact CD1-CD1 4.22Å; I325-L433 HydrophobicContact CG2-CD1 3.78Å; I325-F435 HydrophobicContact CD1-CD1 3.91Å; I325-F435 HydrophobicContact CD1-CE1 4.06Å; I325-Y473 VanDerWaalsContact C-OH 3.3Å; I325-Y473 WeakPolarHBondContact CA-OH 3.44Å; I325-Y473 PolarHBondContact N-OH 2.89Å; I325-Y473 PolarHBondContact O-OH 2.83Å
326L95.5Very high88.1Confident67 Ų6749 Ų4935%0.35126%0.263SS..EExtended strand (participates in β ladder)trans-86.2135.4172.8-68.7167.9000109.2V322 P323 L344 K345V322-L326 HydrophobicContact CG1-CD1 4.16Å; V322-L326 HydrophobicContact CG1-CD2 4.44Å; V322-L326 HydrophobicContact CG1-CG 4.43Å; P323-L326 HydrophobicContact CG-CD2 3.68Å; L326-L344 CarbonylContact O-C 3.54Å; L326-L344 WeakPolarHBondContact O-CA 3.47Å; L326-K345 PolarHBondContact N-O 3.41Å; L326-K345 PolarHBondContact O-N 3.35Å
327G94.7Very high87.5Confident7 Ų753 Ų537%0.07228%0.282CS..EExtended strand (participates in β ladder)trans-133.7147-175.500000113S343G327-S343 CarbonylContact C-O 3.58Å; G327-S343 VanDerWaalsContact CA-O 3.25Å; G327-S343 WeakPolarHBondContact CA-O 3.45Å
328T93.5Very high87.2Confident70 Ų7052 Ų5243%0.42928%0.275SS..EExtended strand (participates in β ladder)trans-122.9136.2165.757.90000108.8V342 S343T328-V342 VanDerWaalsContact O-CA 3.29Å; T328-V342 WeakPolarHBondContact O-CA 3.43Å; T328-S343 PolarHBondContact N-O 2.95Å; T328-S343 PolarHBondContact O-N 2.68Å
329Y93.2Very high87.2Confident1 Ų156.5 Ų56.50%0.00429%0.292CS..EExtended strand (participates in β ladder)trans-132.3128.3179176.7-145000109.7L331 I340 V342 L361 A429 I431 N477 S478Y329-L331 HydrophobicContact CE1-CD1 4.31Å; Y329-L331 HydrophobicContact CE1-CG 4.23Å; Y329-L331 HydrophobicContact CE2-CD2 3.57Å; Y329-L331 HydrophobicContact CE2-CG 3.79Å; Y329-L331 WeakPolarHBondContact OH-CD1 3.33Å; Y329-L331 VanDerWaalsContact OH-CD2 3.26Å; Y329-L331 WeakPolarHBondContact OH-CD2 3.43Å; Y329-L331 WeakPolarHBondContact OH-CG 2.91Å; Y329-I340 HydrophobicContact CE2-CG2 4.1Å; Y329-V342 HydrophobicContact CD2-CG2 3.86Å; Y329-V342 HydrophobicContact CE2-CG2 4.29Å; Y329-L361 HydrophobicContact CE2-CD2 4.26Å; Y329-A429 HydrophobicContact CE1-CB 4.49Å; Y329-I431 HydrophobicContact CD1-CD1 4.25Å; Y329-I431 HydrophobicContact CD1-CG1 3.7Å; Y329-I431 HydrophobicContact CD2-CD1 3.79Å; Y329-I431 HydrophobicContact CD2-CG1 4.08Å; Y329-I431 HydrophobicContact CE1-CG1 4Å; Y329-I431 HydrophobicContact CE2-CD1 4.29Å; Y329-I431 HydrophobicContact CE2-CG1 4.34Å; Y329-I431 HydrophobicContact CG-CD1 3.74Å; Y329-I431 HydrophobicContact CG-CG1 3.72Å; Y329-N477 HydrophobicContact CD1-CB 3.82Å; Y329-N477 HydrophobicContact CE1-CB 3.97Å; Y329-N477 WeakPolarHBondContact O-CA 3.33Å; Y329-N477 PolarHBondContact O-OD1 3.41Å; Y329-S478 PolarHBondContact O-N 3.29Å; Y329-S478 PolarHBondContact O-OG 2.9Å
330Q90.9Very high87.5Confident70 Ų7051.1 Ų51.133%0.32727%0.267SS..EExtended strand (participates in β ladder)trans-132.1130.5178-69.7-176.93.600110.4T341 N477 S478 T479Q330-T341 PolarHBondContact N-O 2.99Å; Q330-T341 PolarHBondContact O-N 3.44Å; Q330-N477 WeakPolarHBondContact CA-OD1 3.31Å; Q330-S478 VanDerWaalsContact CG-OG 3.26Å; Q330-S478 WeakPolarHBondContact CG-OG 3.14Å; Q330-S478 PolarHBondContact NE2-OG 3.42Å; Q330-T479 HydrophobicContact CG-CG2 4.42Å
331L88.4Confident87.8Confident1 Ų153.1 Ų53.11%0.00528%0.279CS..EExtended strand (participates in β ladder)trans-111.3138.6166.4-65.4179.5000110.2Y329 L338 R339 I340 C424 A429 N477 T479Y329-L331 HydrophobicContact CE1-CD1 4.31Å; Y329-L331 HydrophobicContact CE1-CG 4.23Å; Y329-L331 HydrophobicContact CE2-CD2 3.57Å; Y329-L331 HydrophobicContact CE2-CG 3.79Å; Y329-L331 WeakPolarHBondContact OH-CD1 3.33Å; Y329-L331 VanDerWaalsContact OH-CD2 3.26Å; Y329-L331 WeakPolarHBondContact OH-CD2 3.43Å; Y329-L331 WeakPolarHBondContact OH-CG 2.91Å; L331-L338 HydrophobicContact CB-CD1 4.18Å; L331-L338 HydrophobicContact CD1-CD2 4.24Å; L331-L338 HydrophobicContact CD2-CD1 4.35Å; L331-L338 HydrophobicContact CD2-CD2 3.88Å; L331-L338 HydrophobicContact CD2-CG 3.99Å; L331-R339 WeakPolarHBondContact CA-O 3.49Å; L331-I340 HydrophobicContact CD2-CB 4.38Å; L331-I340 HydrophobicContact CD2-CG1 3.75Å; L331-C424 HydrophobicContact CD1-CB 4.33Å; L331-A429 HydrophobicContact CD1-CB 3.77Å; L331-N477 PolarHBondContact N-OD1 2.96Å; L331-T479 PolarHBondContact O-OG1 3.44Å
332K86.8Confident88.3Confident111 Ų11148.2 Ų48.248%0.48325%0.248SC..EExtended strand (participates in β ladder)trans-136.1132.6171.4-66.3-179.7-178.2172.70109.2R339K332-R339 HydrophobicContact CB-CB 4.42Å; K332-R339 PolarHBondContact N-O 2.93Å; K332-R339 PolarHBondContact O-N 2.87Å
333D81.3Confident88.6Confident76 Ų7647.4 Ų47.441%0.40624%0.244SC..EExtended strand (participates in β ladder)trans-79.3131.2171.1-162.56.1000109.2L423D333-L423 HydrophobicContact CB-CD2 4.14Å; D333-L423 HydrophobicContact CB-CG 4.49Å
334D79Confident88.8Confident57 Ų5747.4 Ų47.431%0.30524%0.244SC..EExtended strand (participates in β ladder)trans-145.5103.3-177.5-165.134.9000109.8N336 Q337 R339D334-N336 PolarHBondContact O-N 2.82Å; D334-Q337 CarbonylContact C-O 3.56Å; D334-Q337 PolarHBondContact N-O 2.77Å; D334-Q337 WeakPolarHBondContact O-CA 3.17Å; D334-Q337 WeakPolarHBondContact O-CB 3.46Å; D334-Q337 PolarHBondContact O-N 3.4Å; D334-Q337 VanDerWaalsContact O-O 3.04Å; D334-R339 IonicContact OD2-CZ 2.97Å; D334-R339 IonicContact OD2-NH1 2.72Å; D334-R339 PolarHBondContact OD2-NH1 3.15Å; D334-R339 IonicContact OD2-NH2 3.97Å; D334-R339 PolarHBondContact OD2-NH2 3.36Å
335D66.9Low88.9Confident157 Ų15752.1 Ų52.184%0.8426%0.264SS*.THydrogen-bonded Turntrans44.853.9173.8-68.1-29000114.9Q337D335-Q337 PolarHBondContact O-N 2.65Å
336N69.4Low89Confident125 Ų12552.2 Ų52.267%0.66826%0.264SS*.THydrogen-bonded Turntrans70.213.9179.9-153.451.4000114.7D334D334-N336 PolarHBondContact O-N 2.82Å
337Q81.1Confident88.9Confident84 Ų8451.6 Ų51.639%0.39326%0.26SS..EExtended strand (participates in β ladder)trans-120144.3168-58.8-173.92.600110.2D334 D335 S409D334-Q337 CarbonylContact C-O 3.56Å; D334-Q337 PolarHBondContact N-O 2.77Å; D334-Q337 WeakPolarHBondContact O-CA 3.17Å; D334-Q337 WeakPolarHBondContact O-CB 3.46Å; D334-Q337 PolarHBondContact O-N 3.4Å; D334-Q337 VanDerWaalsContact O-O 3.04Å; D335-Q337 PolarHBondContact O-N 2.65Å; Q337-S409 VanDerWaalsContact OE1-CB 3.29Å
338L85.9Confident88.8Confident0 Ų058.4 Ų58.40%029%0.29CS..EExtended strand (participates in β ladder)trans-95.1111.6174.1-172.169.3000109.1L331 F363 S409 V410 F412L331-L338 HydrophobicContact CB-CD1 4.18Å; L331-L338 HydrophobicContact CD1-CD2 4.24Å; L331-L338 HydrophobicContact CD2-CD1 4.35Å; L331-L338 HydrophobicContact CD2-CD2 3.88Å; L331-L338 HydrophobicContact CD2-CG 3.99Å; L338-F363 HydrophobicContact CD2-CD1 4.21Å; L338-F363 HydrophobicContact CD2-CE1 3.74Å; L338-S409 WeakPolarHBondContact O-CA 3.46Å; L338-V410 PolarHBondContact N-O 3.19Å; L338-V410 PolarHBondContact O-N 3.34Å; L338-F412 HydrophobicContact CB-CE2 3.73Å; L338-F412 HydrophobicContact CD2-CE2 3.95Å; L338-F412 HydrophobicContact CD2-CZ 4.1Å
339R90.4Very high88.5Confident95 Ų9559 Ų5936%0.35830%0.296SS..EExtended strand (participates in β ladder)trans-80.1125.3173.4-175.4176.5-75.81271.6109.6L331 K332 D334 G408L331-R339 WeakPolarHBondContact CA-O 3.49Å; K332-R339 HydrophobicContact CB-CB 4.42Å; K332-R339 PolarHBondContact N-O 2.93Å; K332-R339 PolarHBondContact O-N 2.87Å; D334-R339 IonicContact OD2-CZ 2.97Å; D334-R339 IonicContact OD2-NH1 2.72Å; D334-R339 PolarHBondContact OD2-NH1 3.15Å; D334-R339 IonicContact OD2-NH2 3.97Å; D334-R339 PolarHBondContact OD2-NH2 3.36Å; R339-G408 CarbonylContact C-O 3.59Å; R339-G408 WeakPolarHBondContact CA-O 3.26Å
340I92.5Very high88.4Confident0 Ų059 Ų590%030%0.297CS..EExtended strand (participates in β ladder)trans-110.6131.9-177.4-59.3172.4000108.7Y329 L331 V342 L361 F363 L406 E407 G408 V410Y329-I340 HydrophobicContact CE2-CG2 4.1Å; L331-I340 HydrophobicContact CD2-CB 4.38Å; L331-I340 HydrophobicContact CD2-CG1 3.75Å; I340-V342 HydrophobicContact CG2-CG2 3.91Å; I340-L361 HydrophobicContact CG2-CD2 4.23Å; I340-F363 HydrophobicContact CD1-CE1 4.4Å; I340-F363 HydrophobicContact CD1-CZ 3.68Å; I340-L406 HydrophobicContact CB-CD2 4.3Å; I340-L406 HydrophobicContact CG2-CD2 3.51Å; I340-E407 WeakPolarHBondContact O-CA 3.38Å; I340-G408 PolarHBondContact N-O 2.87Å; I340-G408 PolarHBondContact O-N 2.85Å; I340-V410 HydrophobicContact CD1-CB 4.3Å; I340-V410 HydrophobicContact CD1-CG2 3.47Å; I340-V410 VanDerWaalsContact CD1-CG2 3.47Å
341T94.7Very high88.4Confident49 Ų4962.2 Ų62.230%0.30131%0.306SS..EExtended strand (participates in β ladder)trans-134.5124169.6-51.30000109.8Q330 L406Q330-T341 PolarHBondContact N-O 2.99Å; Q330-T341 PolarHBondContact O-N 3.44Å; T341-L406 CarbonylContact C-O 3.56Å; T341-L406 WeakPolarHBondContact CA-O 3.38Å
342V96.4Very high88.7Confident1 Ų164.1 Ų64.11%0.00632%0.316CS..EExtended strand (participates in β ladder)trans-131.2135.1178.6-169.40000109.2T328 Y329 I340 L344 L361 W392 S405 L406 I431T328-V342 VanDerWaalsContact O-CA 3.29Å; T328-V342 WeakPolarHBondContact O-CA 3.43Å; Y329-V342 HydrophobicContact CD2-CG2 3.86Å; Y329-V342 HydrophobicContact CE2-CG2 4.29Å; I340-V342 HydrophobicContact CG2-CG2 3.91Å; V342-L344 HydrophobicContact CG1-CD2 3.99Å; V342-L344 HydrophobicContact CG1-CG 4.03Å; V342-L361 HydrophobicContact CG2-CD2 4.17Å; V342-W392 HydrophobicContact CB-CZ3 4.38Å; V342-W392 HydrophobicContact CG1-CZ3 4.13Å; V342-S405 CarbonylContact O-C 3.24Å; V342-S405 WeakPolarHBondContact O-CA 3.13Å; V342-S405 WeakPolarHBondContact O-CB 3.42Å; V342-L406 HydrophobicContact CB-CB 4.08Å; V342-L406 HydrophobicContact CG2-CB 4.31Å; V342-L406 HydrophobicContact CG2-CD2 4.05Å; V342-L406 PolarHBondContact N-O 3.18Å; V342-L406 PolarHBondContact O-N 2.82Å; V342-I431 HydrophobicContact CB-CD1 4.08Å; V342-I431 HydrophobicContact CG1-CD1 3.35Å; V342-I431 HydrophobicContact CG2-CD1 3.5Å
343S96.4Very high89.1Confident23 Ų2360 Ų6016%0.16130%0.301CS..EExtended strand (participates in β ladder)trans-125133.6162.3-176.70000109.4G327 T328 E403 V404G327-S343 CarbonylContact C-O 3.58Å; G327-S343 VanDerWaalsContact CA-O 3.25Å; G327-S343 WeakPolarHBondContact CA-O 3.45Å; T328-S343 PolarHBondContact N-O 2.95Å; T328-S343 PolarHBondContact O-N 2.68Å; S343-E403 PolarHBondContact OG-OE1 2.76Å; S343-V404 WeakPolarHBondContact CA-O 3.46Å
344L97.4Very high89.8Confident0 Ų056.8 Ų56.80%028%0.284CS..EExtended strand (participates in β ladder)trans-124129.6175.3-53.7174.8000109.2I325 L326 V342 A359 W392 L394 F398 E403 V404 L433 I475I325-L344 HydrophobicContact CG2-CB 4.08Å; L326-L344 CarbonylContact O-C 3.54Å; L326-L344 WeakPolarHBondContact O-CA 3.47Å; V342-L344 HydrophobicContact CG1-CD2 3.99Å; V342-L344 HydrophobicContact CG1-CG 4.03Å; L344-A359 HydrophobicContact CD1-CB 4.27Å; L344-W392 HydrophobicContact CD1-CE3 4.05Å; L344-W392 HydrophobicContact CD1-CH2 4.38Å; L344-W392 HydrophobicContact CD1-CZ3 3.65Å; L344-W392 HydrophobicContact CG-CZ3 4.04Å; L344-L394 HydrophobicContact CD1-CD1 3.88Å; L344-F398 HydrophobicContact CB-CE1 4.4Å; L344-E403 WeakPolarHBondContact O-CA 3.19Å; L344-V404 HydrophobicContact CB-CG2 3.77Å; L344-V404 HydrophobicContact CD1-CG2 4.43Å; L344-V404 HydrophobicContact CG-CG2 4.48Å; L344-V404 PolarHBondContact N-O 2.96Å; L344-V404 PolarHBondContact O-N 2.96Å; L344-L433 HydrophobicContact CD1-CD2 4.06Å; L344-I475 HydrophobicContact CD2-CD1 3.4Å
345K96.9Very high90.7Very high101 Ų10158.3 Ų58.344%0.43929%0.289SS..EExtended strand (participates in β ladder)trans-124.7119.1-179.8-173.6173.9-179.4175.80110.9I325 L326 R402 E403I325-K345 CarbonylContact C-O 3.57Å; I325-K345 WeakPolarHBondContact CA-O 3.34Å; L326-K345 PolarHBondContact N-O 3.41Å; L326-K345 PolarHBondContact O-N 3.35Å; K345-R402 CarbonylContact C-O 3.56Å; K345-R402 WeakPolarHBondContact CA-O 3.48Å; K345-E403 HydrophobicContact CB-CG 4.38Å; K345-E403 HydrophobicContact CG-CB 4.43Å
346L97.3Very high92.1Very high1 Ų155 Ų551%0.00527%0.265CS..EExtended strand (participates in β ladder)trans-72.5125.1173.5178.965.2000110.2I325 V350 N352 F354 F398 R402I325-L346 HydrophobicContact CG1-CD1 4.05Å; L346-V350 HydrophobicContact CD1-CB 3.73Å; L346-V350 HydrophobicContact CD1-CG1 3.65Å; L346-V350 HydrophobicContact CD1-CG2 4.41Å; L346-V350 HydrophobicContact CG-CB 4.4Å; L346-N352 HydrophobicContact CD2-CB 3.68Å; L346-F354 HydrophobicContact CD1-CE2 4.15Å; L346-F354 HydrophobicContact CD1-CZ 3.68Å; L346-F354 HydrophobicContact CD2-CE2 4.01Å; L346-F354 HydrophobicContact CD2-CZ 4.39Å; L346-F398 HydrophobicContact CB-CB 4.45Å; L346-F398 HydrophobicContact CB-CD1 3.85Å; L346-F398 HydrophobicContact CB-CD2 4.14Å; L346-F398 HydrophobicContact CB-CE1 4.08Å; L346-F398 HydrophobicContact CB-CE2 4.37Å; L346-F398 HydrophobicContact CB-CG 3.88Å; L346-F398 HydrophobicContact CB-CZ 4.34Å; L346-F398 HydrophobicContact CD2-CB 4.16Å; L346-F398 HydrophobicContact CD2-CD2 4.01Å; L346-F398 HydrophobicContact CD2-CG 4.12Å; L346-R402 HydrophobicContact CB-CB 4.18Å; L346-R402 PolarHBondContact N-O 2.77Å
347H94.9Very high93.4Very high55 Ų5549.1 Ų49.126%0.25523%0.234SC..  trans-65.1151.8178.7-170.8-102.7000112.1P324 S349 V350 R402P324-H347 WeakPolarHBondContact O-CB 3.48Å; P324-H347 PolarHBondContact O-N 2.91Å; H347-S349 VanDerWaalsContact C-N 3.32Å; H347-S349 PolarHBondContact CE1-OG 2.8Å; H347-S349 PolarHBondContact ND1-N 2.81Å; H347-S349 PolarHBondContact ND1-OG 2.79Å; H347-S349 PolarHBondContact O-N 3.02Å; H347-V350 HydrophobicContact CB-CG2 4.3Å; H347-V350 PolarHBondContact O-N 3.01Å; H347-R402 PolarHBondContact O-NH1 3.11Å
348E91.3Very high94.2Very high150 Ų15047.8 Ų47.870%0.70123%0.228SC*.THydrogen-bonded Turntrans-66.9-33.3-173-68.7-176.5179.800113.3V350 R402E348-V350 PolarHBondContact O-N 2.91Å; E348-R402 VanDerWaalsContact CA-NH1 3.26Å; E348-R402 PolarHBondContact O-NH1 3.34Å
349S86.6Confident94.7Very high81 Ų8147.8 Ų47.857%0.56623%0.228SC*.THydrogen-bonded Turntrans-68.5-17.8178.667.60000113.9H347H347-S349 VanDerWaalsContact C-N 3.32Å; H347-S349 PolarHBondContact CE1-OG 2.8Å; H347-S349 PolarHBondContact ND1-N 2.81Å; H347-S349 PolarHBondContact ND1-OG 2.79Å; H347-S349 PolarHBondContact O-N 3.02Å
350V91.7Very high94.9Very high3 Ų345 Ų452%0.01822%0.219CC..SBendtrans-89.3132.2-176.1-177.10000109.8P324 L346 H347 E348 N352 R402 L440 L442P324-V350 HydrophobicContact CB-CG2 3.77Å; L346-V350 HydrophobicContact CD1-CB 3.73Å; L346-V350 HydrophobicContact CD1-CG1 3.65Å; L346-V350 HydrophobicContact CD1-CG2 4.41Å; L346-V350 HydrophobicContact CG-CB 4.4Å; H347-V350 HydrophobicContact CB-CG2 4.3Å; H347-V350 PolarHBondContact O-N 3.01Å; E348-V350 PolarHBondContact O-N 2.91Å; V350-N352 PolarHBondContact O-N 2.92Å; V350-R402 PolarHBondContact O-NH1 2.99Å; V350-L440 HydrophobicContact CB-CD2 4.47Å; V350-L440 HydrophobicContact CG1-CD2 3.72Å; V350-L442 HydrophobicContact CG2-CD1 4.22Å
351R91.3Very high94.9Very high137 Ų13745 Ų4552%0.51722%0.219SC..  trans-68.1122.7173.8-168.4-176.7178.3-170.9-1.2109.4S353 D439R351-S353 WeakPolarHBondContact CD-OG 3.49Å; R351-S353 VanDerWaalsContact CG-OG 3.29Å; R351-S353 WeakPolarHBondContact CG-OG 3.45Å; R351-S353 PolarHBondContact NE-OG 3.48Å; R351-S353 PolarHBondContact O-N 2.64Å; R351-D439 IonicContact NH1-OD2 2.72Å
352N95Very high94.6Very high41 Ų4142.9 Ų42.922%0.21921%0.206CC..SBendtrans-78.168.3177.4-170.115.4000111.5L346 V350 K397 F398L346-N352 HydrophobicContact CD2-CB 3.68Å; V350-N352 PolarHBondContact O-N 2.92Å; N352-K397 VanDerWaalsContact OD1-CA 3.29Å; N352-K397 WeakPolarHBondContact OD1-CA 3.38Å; N352-F398 PolarHBondContact ND2-N 2.81Å; N352-F398 PolarHBondContact ND2-O 2.74Å; N352-F398 PolarHBondContact OD1-N 3.45Å
353S94.9Very high93.9Very high24 Ų2443 Ų4317%0.16821%0.206CC..  trans-151.179.2179.359.70000109.7R351 P438R351-S353 WeakPolarHBondContact CD-OG 3.49Å; R351-S353 VanDerWaalsContact CG-OG 3.29Å; R351-S353 WeakPolarHBondContact CG-OG 3.45Å; R351-S353 PolarHBondContact NE-OG 3.48Å; R351-S353 PolarHBondContact O-N 2.64Å; S353-P438 WeakPolarHBondContact O-CD 3.45Å
354F96.9Very high92.7Very high8 Ų844.8 Ų44.84%0.03521%0.211CC..  trans-84.4146.5178.9-62.3-97.7000110.2I325 L346 C357 Q396 F398 F435 R436 V437I325-F354 HydrophobicContact CD1-CE1 4.34Å; I325-F354 HydrophobicContact CD1-CZ 4.36Å; L346-F354 HydrophobicContact CD1-CE2 4.15Å; L346-F354 HydrophobicContact CD1-CZ 3.68Å; L346-F354 HydrophobicContact CD2-CE2 4.01Å; L346-F354 HydrophobicContact CD2-CZ 4.39Å; F354-C357 HydrophobicContact CB-CB 4.27Å; F354-C357 HydrophobicContact CD1-CB 3.89Å; F354-C357 HydrophobicContact CE1-CB 4.43Å; F354-C357 HydrophobicContact CG-CB 4.05Å; F354-Q396 WeakPolarHBondContact CB-O 3.27Å; F354-Q396 PolarHBondContact N-O 2.83Å; F354-Q396 WeakPolarHBondContact O-CA 3.47Å; F354-Q396 WeakPolarHBondContact O-CB 3.42Å; F354-Q396 WeakPolarHBondContact O-CG 3.32Å; F354-F398 HydrophobicContact CD2-CD2 4.39Å; F354-F398 AromaticContact CE2-CD2 3.71Å; F354-F398 HydrophobicContact CE2-CD2 3.71Å; F354-F398 AromaticContact CE2-CE2 3.91Å; F354-F398 HydrophobicContact CE2-CE2 3.91Å; F354-F398 HydrophobicContact CZ-CD2 4.22Å; F354-F398 AromaticContact CZ-CE2 3.96Å; F354-F398 HydrophobicContact CZ-CE2 3.96Å; F354-F435 HydrophobicContact CD1-CB 3.9Å; F354-F435 HydrophobicContact CE1-CB 4.02Å; F354-F435 HydrophobicContact CE1-CD2 4.19Å; F354-F435 HydrophobicContact CE1-CG 4.18Å; F354-R436 CarbonylContact C-O 3.5Å; F354-R436 WeakPolarHBondContact CA-O 3.37Å; F354-V437 HydrophobicContact CD1-CG2 3.44Å; F354-V437 VanDerWaalsContact CD1-CG2 3.44Å; F354-V437 HydrophobicContact CE1-CG2 3.4Å; F354-V437 VanDerWaalsContact CE1-CG2 3.4Å; F354-V437 HydrophobicContact CG-CG2 4.21Å; F354-V437 HydrophobicContact CZ-CG2 4.13Å
355E96.5Very high91.4Very high90 Ų9045.7 Ų45.742%0.42122%0.216SC..SBendtrans-73.9-44.6162-173.7176.1143.800109.7R436E355-R436 HydrophobicContact CB-CB 4.21Å; E355-R436 HydrophobicContact CB-CG 4.07Å; E355-R436 PolarHBondContact N-O 3.02Å; E355-R436 IonicContact OE1-CZ 3.86Å; E355-R436 IonicContact OE1-NH1 3.83Å; E355-R436 PolarHBondContact OE1-NH1 2.87Å; E355-R436 WeakPolarHBondContact OE2-CD 3.16Å; E355-R436 IonicContact OE2-CZ 3.95Å; E355-R436 IonicContact OE2-NE 3.94Å; E355-R436 PolarHBondContact OE2-NE 2.83Å; E355-R436 VanDerWaalsContact OE2-NE 3.16Å; E355-R436 IonicContact OE2-NH1 3.66Å; E355-R436 PolarHBondContact OE2-NH1 3.4Å
356Y96.1Very high90.2Very high87 Ų8742.6 Ų42.634%0.34120%0.202SC..EExtended strand (participates in β ladder)trans-149.7155168.862.2-93.9000110.2F435 R436Y356-F435 VanDerWaalsContact O-CA 3.25Å; Y356-F435 WeakPolarHBondContact O-CA 3.37Å; Y356-R436 HydrophobicContact CD1-CB 3.91Å; Y356-R436 HydrophobicContact CE1-CB 3.4Å; Y356-R436 VanDerWaalsContact CE1-CB 3.4Å; Y356-R436 HydrophobicContact CE1-CG 4.3Å; Y356-R436 HydrophobicContact CE2-CB 4.33Å; Y356-R436 PolarHBondContact O-N 3.09Å; Y356-R436 VanDerWaalsContact O-N 3.07Å
357C97.5Very high89Confident1 Ų144.5 Ų44.51%0.00721%0.212CC..EExtended strand (participates in β ladder)trans-151.2121.7172.3-1720000108.9F354 L394 G395 Y434 F435F354-C357 HydrophobicContact CB-CB 4.27Å; F354-C357 HydrophobicContact CD1-CB 3.89Å; F354-C357 HydrophobicContact CE1-CB 4.43Å; F354-C357 HydrophobicContact CG-CB 4.05Å; C357-L394 HydrophobicContact CB-CB 4.17Å; C357-L394 WeakPolarHBondContact O-CB 3.3Å; C357-L394 PolarHBondContact O-N 2.88Å; C357-G395 WeakPolarHBondContact CB-O 3.38Å; C357-G395 PolarHBondContact N-O 2.79Å; C357-G395 PolarHBondContact O-N 3.28Å; C357-G395 VanDerWaalsContact O-N 3.15Å; C357-Y434 CarbonylContact C-O 3.57Å; C357-Y434 VanDerWaalsContact CA-O 3.29Å; C357-Y434 WeakPolarHBondContact CA-O 3.4Å; C357-F435 HydrophobicContact CB-CB 4.13Å
358E97.2Very high88.2Confident56 Ų5645.4 Ų45.426%0.26222%0.216SC..EExtended strand (participates in β ladder)trans-139.7144.9-176.1-61.2176.3-169.700110.1H360 V391 W392 V393 L433 Y434E358-H360 IonicContact OE2-CD2 3Å; E358-H360 IonicContact OE2-CE1 2.96Å; E358-H360 IonicContact OE2-NE2 2.66Å; E358-H360 PolarHBondContact OE2-NE2 2.85Å; E358-V391 HydrophobicContact CB-CG1 4.46Å; E358-W392 CarbonylContact C-O 3.51Å; E358-W392 WeakPolarHBondContact CA-O 3.19Å; E358-V393 HydrophobicContact CG-CG1 4.36Å; E358-V393 HydrophobicContact CG-CG2 4.37Å; E358-L433 WeakPolarHBondContact O-CA 3.17Å; E358-Y434 PolarHBondContact N-O 3.2Å; E358-Y434 PolarHBondContact O-N 2.82Å
359A97Very high87.8Confident0 Ų038.5 Ų38.50%018%0.184CC..EExtended strand (participates in β ladder)trans-115.7121.1173.200000109.5L344 L361 W392 I431 L433L344-A359 HydrophobicContact CD1-CB 4.27Å; A359-L361 HydrophobicContact CB-CD1 4.34Å; A359-W392 HydrophobicContact CB-CB 4.22Å; A359-W392 HydrophobicContact CB-CE3 4.29Å; A359-W392 PolarHBondContact N-O 2.68Å; A359-W392 PolarHBondContact O-N 3.41Å; A359-I431 HydrophobicContact CB-CG2 3.72Å; A359-L433 HydrophobicContact CB-CD2 3.45Å; A359-L433 VanDerWaalsContact CB-CD2 3.45Å
360H94.4Very high87.7Confident37 Ų3736.3 Ų36.317%0.17118%0.175CC..EExtended strand (participates in β ladder)trans-104.2120.5-176.1-75.4-147.7000108.9E358 P362 L389 I431 K432 Y434E358-H360 IonicContact OE2-CD2 3Å; E358-H360 IonicContact OE2-CE1 2.96Å; E358-H360 IonicContact OE2-NE2 2.66Å; E358-H360 PolarHBondContact OE2-NE2 2.85Å; H360-P362 WeakPolarHBondContact O-CD 3.14Å; H360-L389 HydrophobicContact CB-CD1 3.93Å; H360-I431 WeakPolarHBondContact O-CA 3.21Å; H360-K432 PolarHBondContact N-O 3.03Å; H360-K432 PolarHBondContact O-N 2.84Å; H360-Y434 HydrophobicContact CB-CD2 4.27Å; H360-Y434 HydrophobicContact CB-CE2 3.97Å; H360-Y434 AromaticContact CD2-CD2 3.66Å; H360-Y434 AromaticContact CE1-CD2 3.92Å; H360-Y434 AromaticContact CE1-CE2 3.92Å; H360-Y434 AromaticContact CG-CD2 3.69Å; H360-Y434 AromaticContact CG-CE2 3.61Å; H360-Y434 AromaticContact ND1-CD2 3.87Å; H360-Y434 AromaticContact ND1-CE2 3.52Å; H360-Y434 AromaticContact NE2-CD2 3.81Å
361L92.5Very high87.3Confident0 Ų039.3 Ų39.30%020%0.196CC..EExtended strand (participates in β ladder)trans-114.692.2-179.1-6885000109Y329 I340 V342 A359 F363 L390 I431Y329-L361 HydrophobicContact CE2-CD2 4.26Å; I340-L361 HydrophobicContact CG2-CD2 4.23Å; V342-L361 HydrophobicContact CG2-CD2 4.17Å; A359-L361 HydrophobicContact CB-CD1 4.34Å; L361-F363 HydrophobicContact CB-CE2 4.33Å; L361-F363 HydrophobicContact CB-CZ 4.37Å; L361-F363 WeakPolarHBondContact O-CE2 3.31Å; L361-L390 HydrophobicContact CB-CB 4.24Å; L361-L390 PolarHBondContact N-O 2.94Å; L361-L390 PolarHBondContact O-N 2.78Å; L361-I431 HydrophobicContact CD1-CD1 4.46Å; L361-I431 HydrophobicContact CD1-CG2 4.08Å; L361-I431 HydrophobicContact CD2-CD1 4.02Å; L361-I431 HydrophobicContact CD2-CG1 4.2Å; L361-I431 HydrophobicContact CG-CD1 4.13Å; L361-I431 HydrophobicContact CG-CG1 3.94Å; L361-I431 HydrophobicContact CG-CG2 4.26Å
362P87.5Confident87.2Confident5 Ų535.1 Ų35.13%0.03219%0.185CC..EExtended strand (participates in β ladder)trans-78.1149.1179.229.6-32.8000113H360 F364 L389 Y430H360-P362 WeakPolarHBondContact O-CD 3.14Å; P362-F364 HydrophobicContact CB-CD1 4.44Å; P362-F364 HydrophobicContact CB-CD2 3.7Å; P362-F364 HydrophobicContact CB-CE1 4.02Å; P362-F364 HydrophobicContact CB-CE2 3.2Å; P362-F364 HydrophobicContact CB-CG 4.31Å; P362-F364 HydrophobicContact CB-CZ 3.38Å; P362-F364 HydrophobicContact CG-CD2 4.46Å; P362-F364 HydrophobicContact CG-CE2 3.92Å; P362-F364 HydrophobicContact CG-CZ 4.42Å; P362-L389 HydrophobicContact CB-CD1 4.31Å; P362-Y430 WeakPolarHBondContact CD-O 3.44Å; P362-Y430 HydrophobicContact CG-CD2 4.26Å; P362-Y430 HydrophobicContact CG-CE1 4.1Å; P362-Y430 HydrophobicContact CG-CE2 3.64Å
363F81.8Confident87.1Confident2 Ų238.4 Ų38.41%0.00920%0.203CC..  trans-133.355.5176.3-58.9-72000109.9L338 I340 L361 N365 M369 N388 L390 F412L338-F363 HydrophobicContact CD2-CD1 4.21Å; L338-F363 HydrophobicContact CD2-CE1 3.74Å; I340-F363 HydrophobicContact CD1-CE1 4.4Å; I340-F363 HydrophobicContact CD1-CZ 3.68Å; L361-F363 HydrophobicContact CB-CE2 4.33Å; L361-F363 HydrophobicContact CB-CZ 4.37Å; L361-F363 WeakPolarHBondContact O-CE2 3.31Å; F363-N365 VanDerWaalsContact C-N 3.27Å; F363-N365 PolarHBondContact O-N 3.16Å; F363-M369 HydrophobicContact CD2-CE 4.35Å; F363-M369 HydrophobicContact CD2-CG 4.4Å; F363-M369 HydrophobicContact CD2-SD 3.71Å; F363-M369 HydrophobicContact CE2-SD 3.95Å; F363-N388 WeakPolarHBondContact CA-O 3.22Å; F363-N388 PolarHBondContact N-O 3.02Å; F363-L390 HydrophobicContact CE2-CB 3.97Å; F363-F412 HydrophobicContact CB-CE1 3.93Å; F363-F412 HydrophobicContact CB-CZ 4.29Å; F363-F412 HydrophobicContact CD1-CE1 4.29Å; F363-F412 AromaticContact CD1-CZ 3.81Å; F363-F412 HydrophobicContact CD1-CZ 3.81Å; F363-F412 HydrophobicContact CE1-CZ 4.3Å; F363-F412 AromaticContact CG-CE1 4Å; F363-F412 HydrophobicContact CG-CE1 4Å; F363-F412 AromaticContact CG-CZ 3.97Å; F363-F412 HydrophobicContact CG-CZ 3.97Å
364F71.2Confident86.9Confident62 Ų6238.2 Ų38.227%0.27220%0.201SC..THydrogen-bonded Turntrans-70.7-22.2-176.6-53.9-53.2000113.8Y66 P362 N388Y66-F364 HydrophobicContact CD2-CB 3.79Å; Y66-F364 HydrophobicContact CE2-CB 4.24Å; P362-F364 HydrophobicContact CB-CD1 4.44Å; P362-F364 HydrophobicContact CB-CD2 3.7Å; P362-F364 HydrophobicContact CB-CE1 4.02Å; P362-F364 HydrophobicContact CB-CE2 3.2Å; P362-F364 HydrophobicContact CB-CG 4.31Å; P362-F364 HydrophobicContact CB-CZ 3.38Å; P362-F364 HydrophobicContact CG-CD2 4.46Å; P362-F364 HydrophobicContact CG-CE2 3.92Å; P362-F364 HydrophobicContact CG-CZ 4.42Å; F364-N388 HydrophobicContact CD1-CB 4.44Å
365N70.3Confident86.8Confident19 Ų1945.2 Ų45.210%0.10223%0.231CC..THydrogen-bonded Turntrans-103.835.4-176.3-67.5-0.9000112.5F363 P419 D421 T428F363-N365 VanDerWaalsContact C-N 3.27Å; F363-N365 PolarHBondContact O-N 3.16Å; N365-P419 CarbonylContact C-O 3.21Å; N365-P419 HydrophobicContact CB-CB 4.46Å; N365-D421 HydrophobicContact CB-CB 4.24Å; N365-D421 PolarHBondContact O-N 3.35Å; N365-T428 WeakPolarHBondContact ND2-CG2 3.41Å; N365-T428 PolarHBondContact ND2-OG1 3.3Å
366R71.6Confident86.7Confident35 Ų3543.1 Ų43.113%0.13222%0.224CC..SBendtrans-142.2165.3175.6-77.8-68.2-162.3139.48.6108.9F412 D421 P422R366-F412 HydrophobicContact CB-CD1 3.73Å; R366-F412 HydrophobicContact CB-CE1 3.82Å; R366-F412 HydrophobicContact CB-CG 4.07Å; R366-F412 HydrophobicContact CB-CZ 4.27Å; R366-F412 HydrophobicContact CG-CD1 4.3Å; R366-F412 HydrophobicContact CG-CD2 4.27Å; R366-F412 HydrophobicContact CG-CE1 4.15Å; R366-F412 HydrophobicContact CG-CE2 4.15Å; R366-F412 HydrophobicContact CG-CG 4.33Å; R366-F412 HydrophobicContact CG-CZ 4.08Å; R366-D421 WeakPolarHBondContact CD-O 3.45Å; R366-D421 PolarHBondContact NE-O 2.96Å; R366-P422 VanDerWaalsContact NH2-CA 3.25Å; R366-P422 PolarHBondContact NH2-O 3.5Å
367D71.9Confident86.7Confident42 Ų4242.5 Ų42.523%0.22523%0.232CC..SBendtrans-58.9165.9164.4-58.2-37000110.4M369 F412 P417 G418D367-M369 PolarHBondContact O-N 2.88Å; D367-F412 HydrophobicContact CB-CB 4.3Å; D367-F412 WeakPolarHBondContact O-CD1 3.44Å; D367-P417 WeakPolarHBondContact OD1-CA 3.36Å; D367-G418 PolarHBondContact OD1-N 2.86Å
368Q78.8Confident86.5Confident74 Ų7444.3 Ų44.335%0.34625%0.245SC..PPolyproline II helixtrans-57.6141.9175.5-67.3178.3-10.200111.7G370 K387 S413 G414Q368-G370 PolarHBondContact O-N 3.15Å; Q368-K387 HydrophobicContact CB-CB 4.02Å; Q368-K387 HydrophobicContact CG-CB 4.43Å; Q368-S413 PolarHBondContact O-N 3.34Å; Q368-G414 PolarHBondContact O-N 3.36Å
369M83.9Confident86.3Confident4 Ų443.4 Ų43.42%0.0225%0.251CS..EExtended strand (participates in β ladder)trans-58.8124.8175.7-70.8-171.8-73.700110.4F363 D367 V372 V383 K387 L390 V410 F412F363-M369 HydrophobicContact CD2-CE 4.35Å; F363-M369 HydrophobicContact CD2-CG 4.4Å; F363-M369 HydrophobicContact CD2-SD 3.71Å; F363-M369 HydrophobicContact CE2-SD 3.95Å; D367-M369 PolarHBondContact O-N 2.88Å; M369-V372 HydrophobicContact CB-CG2 4.25Å; M369-V372 HydrophobicContact SD-CG2 4.02Å; M369-V383 HydrophobicContact CE-CG1 3.59Å; M369-V383 HydrophobicContact CE-CG2 4.47Å; M369-K387 HydrophobicContact CB-CB 4.37Å; M369-K387 WeakPolarHBondContact CB-O 3.4Å; M369-K387 WeakPolarHBondContact CG-O 3.24Å; M369-K387 PolarHBondContact N-O 3.4Å; M369-L390 HydrophobicContact CE-CB 4.43Å; M369-V410 HydrophobicContact CB-CG1 4.3Å; M369-V410 HydrophobicContact CG-CG1 3.71Å; M369-V410 HydrophobicContact SD-CG1 3.84Å; M369-F412 HydrophobicContact CG-CD1 4.04Å; M369-F412 HydrophobicContact CG-CE1 3.65Å
370G83.4Confident86.2Confident36 Ų3649.6 Ų49.637%0.37128%0.28SS..EExtended strand (participates in β ladder)trans-87.3-94.2173.500000110.3Q368 S411Q368-G370 PolarHBondContact O-N 3.15Å; G370-S411 PolarHBondContact N-O 3.39Å
371S84Confident86.2Confident66 Ų6650.3 Ų50.346%0.46228%0.284SS..EExtended strand (participates in β ladder)trans-94.9129.1176.871.70000111.5S411S371-S411 WeakPolarHBondContact CB-OG 3.08Å; S371-S411 PolarHBondContact N-OG 2.98Å; S371-S411 PolarHBondContact O-N 2.51Å; S371-S411 PolarHBondContact O-OG 3.47Å; S371-S411 WeakPolarHBondContact OG-CB 3.31Å; S371-S411 PolarHBondContact OG-OG 2.79Å
372V89.8Confident86.3Confident48 Ų4855.3 Ų55.329%0.29131%0.308SS..EExtended strand (participates in β ladder)trans-113103.5174.9178.60000107.9M369 V374 V383 L390 V410M369-V372 HydrophobicContact CB-CG2 4.25Å; M369-V372 HydrophobicContact SD-CG2 4.02Å; V372-V374 HydrophobicContact CG1-CB 4.14Å; V372-V374 HydrophobicContact CG1-CG2 3.66Å; V372-V383 HydrophobicContact CG2-CG2 4.17Å; V372-L390 HydrophobicContact CG1-CD1 4.17Å; V372-V410 HydrophobicContact CG1-CG2 4.2Å; V372-V410 HydrophobicContact CG2-CG1 4.25Å; V372-V410 HydrophobicContact CG2-CG2 4.36Å
373D91.1Very high86.4Confident111 Ų11158.4 Ų58.459%0.59433%0.326SS*.EExtended strand (participates in β ladder)trans-107.179.4173.4-176.123000109G408 S409D373-G408 CarbonylContact O-C 3.4Å; D373-G408 VanDerWaalsContact O-CA 3.25Å; D373-G408 WeakPolarHBondContact O-CA 3.47Å; D373-S409 PolarHBondContact N-O 2.93Å; D373-S409 PolarHBondContact O-N 2.67Å
374V92.6Very high86.7Confident20 Ų2059.3 Ų59.312%0.12133%0.333CS..EExtended strand (participates in β ladder)trans-122.5130.8-175.2-178.50000110.1V372 L381 L406 V410V372-V374 HydrophobicContact CG1-CB 4.14Å; V372-V374 HydrophobicContact CG1-CG2 3.66Å; V374-L381 HydrophobicContact CB-CD1 3.75Å; V374-L381 HydrophobicContact CG1-CD1 3.58Å; V374-L406 HydrophobicContact CG1-CD1 4.07Å; V374-L406 HydrophobicContact CG1-CD2 3.36Å; V374-L406 HydrophobicContact CG1-CG 3.45Å; V374-L406 VanDerWaalsContact CG1-CG 3.45Å; V374-V410 HydrophobicContact CG2-CG2 4.02Å
375K93.4Very high87.3Confident155 Ų15565.8 Ų65.867%0.67436%0.361SS*.EExtended strand (participates in β ladder)trans-107135.4176.8-66.6176.2-176169.10109.7L406 E407K375-L406 WeakPolarHBondContact O-CA 3.49Å; K375-E407 PolarHBondContact N-O 2.72Å; K375-E407 PolarHBondContact O-N 2.64Å
376V95.7Very high87.7Confident45 Ų4570.3 Ų70.327%0.27338%0.382SS..EExtended strand (participates in β ladder)trans-117143.4174.7-67.40000110.1S378 L381 W392 S405 L406V376-S378 VanDerWaalsContact C-N 3.34Å; V376-L381 HydrophobicContact CG1-CD1 3.59Å; V376-L381 HydrophobicContact CG1-CD2 3.99Å; V376-L381 HydrophobicContact CG1-CG 3.65Å; V376-L381 HydrophobicContact CG2-CG 4.43Å; V376-W392 HydrophobicContact CB-CZ2 4.22Å; V376-W392 HydrophobicContact CG1-CD2 4.23Å; V376-W392 HydrophobicContact CG1-CG 4.28Å; V376-W392 HydrophobicContact CG1-CZ2 4.2Å; V376-S405 WeakPolarHBondContact CA-O 3.44Å; V376-L406 HydrophobicContact CG1-CB 3.93Å; V376-L406 HydrophobicContact CG1-CD1 3.84Å; V376-L406 HydrophobicContact CG1-CG 3.77Å
377S95.7Very high88.3Confident74 Ų7473.4 Ų73.452%0.51740%0.396SS..SBendtrans-77.7-22.9176.270.30000113V404 S405S377-V404 WeakPolarHBondContact OG-CA 3.47Å; S377-S405 PolarHBondContact N-O 2.84Å; S377-S405 PolarHBondContact OG-N 3.5Å
378S92.9Very high88.7Confident39 Ų3973.1 Ų73.127%0.27339%0.394SS..SBendtrans-155157.6177.3-158.90000110.9V376 W392V376-S378 VanDerWaalsContact C-N 3.34Å; S378-W392 PolarHBondContact O-NE1 3.39Å
379G92.8Very high89.1Confident37 Ų3771.2 Ų71.238%0.38139%0.387SS..SBendtrans81.1-163.7-178.900000114V393G379-V393 CarbonylContact C-O 3.53Å; G379-V393 WeakPolarHBondContact CA-O 3.31Å
380Q94.3Very high89.5Confident131 Ų13171.1 Ų71.161%0.61239%0.386SS*.EExtended strand (participates in β ladder)trans-129.3152.2-178.9-67.6-178.4-32.600110.7V393Q380-V393 PolarHBondContact N-O 2.96Å; Q380-V393 PolarHBondContact O-N 2.93Å
381L95.2Very high90.1Very high51 Ų5170.1 Ų70.127%0.26737%0.373SS..EExtended strand (participates in β ladder)trans-107.8133.7173.7-76.9169.9000110.3V374 V376 L390 V391 W392 L406V374-L381 HydrophobicContact CB-CD1 3.75Å; V374-L381 HydrophobicContact CG1-CD1 3.58Å; V376-L381 HydrophobicContact CG1-CD1 3.59Å; V376-L381 HydrophobicContact CG1-CD2 3.99Å; V376-L381 HydrophobicContact CG1-CG 3.65Å; V376-L381 HydrophobicContact CG2-CG 4.43Å; L381-L390 HydrophobicContact CD2-CD1 4.02Å; L381-L390 HydrophobicContact CD2-CD2 4.25Å; L381-L390 HydrophobicContact CD2-CG 4.07Å; L381-V391 WeakPolarHBondContact CA-O 3.3Å; L381-W392 HydrophobicContact CD2-CB 3.79Å; L381-W392 HydrophobicContact CD2-CG 4.11Å; L381-L406 HydrophobicContact CD2-CD1 3.66Å
382E94.2Very high90.7Very high106 Ų10667 Ų6750%0.49535%0.351SS..EExtended strand (participates in β ladder)trans-126.3139175.7-61.6-174.9177.600109.4V391 V393E382-V391 HydrophobicContact CB-CB 4.36Å; E382-V391 PolarHBondContact N-O 3.46Å; E382-V391 PolarHBondContact O-N 2.9Å; E382-V393 HydrophobicContact CG-CG2 4.41Å
383V90.9Very high91.1Very high69 Ų6966.2 Ų66.242%0.41835%0.346SS..EExtended strand (participates in β ladder)trans-105.4127.9173.1176.10000107.7M369 V372 K387 L390M369-V383 HydrophobicContact CE-CG1 3.59Å; M369-V383 HydrophobicContact CE-CG2 4.47Å; V372-V383 HydrophobicContact CG2-CG2 4.17Å; V383-K387 HydrophobicContact CG1-CG 4.49Å; V383-L390 HydrophobicContact CG2-CD1 3.87Å
384S87.9Confident91.3Very high21 Ų2161.5 Ų61.515%0.14732%0.321CS..  trans-54155.4173.652.70000112.5E386 K387 N388 L389S384-E386 PolarHBondContact O-N 3.48Å; S384-K387 PolarHBondContact O-N 3.12Å; S384-K387 PolarHBondContact OG-N 3.4Å; S384-N388 PolarHBondContact OG-N 3.42Å; S384-N388 PolarHBondContact OG-OD1 3.21Å; S384-L389 WeakPolarHBondContact CB-O 3.49Å; S384-L389 PolarHBondContact N-O 3.31Å; S384-L389 WeakPolarHBondContact OG-CA 3.11Å; S384-L389 WeakPolarHBondContact OG-CB 3.31Å; S384-L389 PolarHBondContact OG-N 3.2Å; S384-L389 PolarHBondContact OG-O 2.94Å
385K83.3Confident91.3Very high199 Ų19961.8 Ų61.887%0.86533%0.328SS*.THydrogen-bonded Turntrans-62.7-33.7179.4-67.5-178.7-179.5177.30112K387K385-K387 PolarHBondContact O-N 2.95Å
386E78.8Confident91.4Very high114 Ų11460.8 Ų60.853%0.53333%0.325SS..THydrogen-bonded Turntrans-77.1-6.7178.4-57.376.9-167.200112.5S384 N388S384-E386 PolarHBondContact O-N 3.48Å; E386-N388 WeakPolarHBondContact CB-OD1 3.12Å; E386-N388 PolarHBondContact O-N 2.96Å
387K83.8Confident91.3Very high99 Ų9965.1 Ų65.143%0.4334%0.341SS..SBendtrans55.530179.2-58.6-178.5175.1-174.20114Q368 M369 V383 S384 K385Q368-K387 HydrophobicContact CB-CB 4.02Å; Q368-K387 HydrophobicContact CG-CB 4.43Å; M369-K387 HydrophobicContact CB-CB 4.37Å; M369-K387 WeakPolarHBondContact CB-O 3.4Å; M369-K387 WeakPolarHBondContact CG-O 3.24Å; M369-K387 PolarHBondContact N-O 3.4Å; V383-K387 HydrophobicContact CG1-CG 4.49Å; S384-K387 PolarHBondContact O-N 3.12Å; S384-K387 PolarHBondContact OG-N 3.4Å; K385-K387 PolarHBondContact O-N 2.95Å
388N80.8Confident91.3Very high36 Ų3662.1 Ų62.119%0.19332%0.318CS..SBendtrans-121.22.2179.867.6-11.2000113F363 F364 S384 E386F363-N388 WeakPolarHBondContact CA-O 3.22Å; F363-N388 PolarHBondContact N-O 3.02Å; F364-N388 HydrophobicContact CD1-CB 4.44Å; S384-N388 PolarHBondContact OG-N 3.42Å; S384-N388 PolarHBondContact OG-OD1 3.21Å; E386-N388 WeakPolarHBondContact CB-OD1 3.12Å; E386-N388 PolarHBondContact O-N 2.96Å
389L87.6Confident91.4Very high35 Ų3562.2 Ų62.218%0.18332%0.318CS..EExtended strand (participates in β ladder)trans-139.4127.517917068000109.6H360 P362 S384 V391H360-L389 HydrophobicContact CB-CD1 3.93Å; P362-L389 HydrophobicContact CB-CD1 4.31Å; S384-L389 WeakPolarHBondContact CB-O 3.49Å; S384-L389 PolarHBondContact N-O 3.31Å; S384-L389 WeakPolarHBondContact OG-CA 3.11Å; S384-L389 WeakPolarHBondContact OG-CB 3.31Å; S384-L389 PolarHBondContact OG-N 3.2Å; S384-L389 PolarHBondContact OG-O 2.94Å; L389-V391 HydrophobicContact CD1-CG2 4.43Å; L389-V391 HydrophobicContact CD2-CG2 3.84Å; L389-V391 HydrophobicContact CG-CG2 3.82Å
390L92.1Very high91.4Very high1 Ų171 Ų711%0.00535%0.345CS..EExtended strand (participates in β ladder)trans-100.9123.5168.9-178.670000108.7L361 F363 M369 V372 L381 V383L361-L390 HydrophobicContact CB-CB 4.24Å; L361-L390 PolarHBondContact N-O 2.94Å; L361-L390 PolarHBondContact O-N 2.78Å; F363-L390 HydrophobicContact CE2-CB 3.97Å; M369-L390 HydrophobicContact CE-CB 4.43Å; V372-L390 HydrophobicContact CG1-CD1 4.17Å; L381-L390 HydrophobicContact CD2-CD1 4.02Å; L381-L390 HydrophobicContact CD2-CD2 4.25Å; L381-L390 HydrophobicContact CD2-CG 4.07Å; V383-L390 HydrophobicContact CG2-CD1 3.87Å
391V95.1Very high91.4Very high16 Ų1668.5 Ų68.510%0.09734%0.343CS..EExtended strand (participates in β ladder)trans-109.8119.9179.9-177.50000108.9E358 L381 E382 L389 V393E358-V391 HydrophobicContact CB-CG1 4.46Å; L381-V391 WeakPolarHBondContact CA-O 3.3Å; E382-V391 HydrophobicContact CB-CB 4.36Å; E382-V391 PolarHBondContact N-O 3.46Å; E382-V391 PolarHBondContact O-N 2.9Å; L389-V391 HydrophobicContact CD1-CG2 4.43Å; L389-V391 HydrophobicContact CD2-CG2 3.84Å; L389-V391 HydrophobicContact CG-CG2 3.82Å; V391-V393 HydrophobicContact CG1-CG2 3.95Å
392W97.1Very high91.4Very high0 Ų069.9 Ų69.90%034%0.344CS..EExtended strand (participates in β ladder)trans-100.1104172.5-178.420.5000109.8V342 L344 E358 A359 V376 S378 L381 L394 V404 S405 L406V342-W392 HydrophobicContact CB-CZ3 4.38Å; V342-W392 HydrophobicContact CG1-CZ3 4.13Å; L344-W392 HydrophobicContact CD1-CE3 4.05Å; L344-W392 HydrophobicContact CD1-CH2 4.38Å; L344-W392 HydrophobicContact CD1-CZ3 3.65Å; L344-W392 HydrophobicContact CG-CZ3 4.04Å; E358-W392 CarbonylContact C-O 3.51Å; E358-W392 WeakPolarHBondContact CA-O 3.19Å; A359-W392 HydrophobicContact CB-CB 4.22Å; A359-W392 HydrophobicContact CB-CE3 4.29Å; A359-W392 PolarHBondContact N-O 2.68Å; A359-W392 PolarHBondContact O-N 3.41Å; V376-W392 HydrophobicContact CB-CZ2 4.22Å; V376-W392 HydrophobicContact CG1-CD2 4.23Å; V376-W392 HydrophobicContact CG1-CG 4.28Å; V376-W392 HydrophobicContact CG1-CZ2 4.2Å; S378-W392 PolarHBondContact O-NE1 3.39Å; L381-W392 HydrophobicContact CD2-CB 3.79Å; L381-W392 HydrophobicContact CD2-CG 4.11Å; W392-L394 HydrophobicContact CD2-CD2 3.88Å; W392-L394 HydrophobicContact CD2-CG 4.45Å; W392-L394 HydrophobicContact CE3-CD2 4.41Å; W392-L394 HydrophobicContact CG-CD2 4.4Å; W392-L394 HydrophobicContact CH2-CD2 4.11Å; W392-L394 HydrophobicContact CZ2-CD2 3.53Å; W392-L394 PolarHBondContact O-N 3.21Å; W392-V404 HydrophobicContact CH2-CB 3.83Å; W392-V404 HydrophobicContact CH2-CG2 3.57Å; W392-V404 HydrophobicContact CZ2-CB 3.86Å; W392-V404 HydrophobicContact CZ2-CG2 3.91Å; W392-V404 HydrophobicContact CZ3-CG2 4.39Å; W392-S405 WeakPolarHBondContact CZ2-O 3.26Å; W392-L406 HydrophobicContact CB-CD1 4.09Å; W392-L406 HydrophobicContact CD2-CB 4.25Å; W392-L406 HydrophobicContact CD2-CD1 3.85Å; W392-L406 HydrophobicContact CE3-CB 3.85Å; W392-L406 HydrophobicContact CE3-CD1 3.79Å; W392-L406 HydrophobicContact CG-CD1 4.02Å; W392-L406 HydrophobicContact CH2-CB 3.88Å; W392-L406 HydrophobicContact CZ2-CB 4.27Å; W392-L406 HydrophobicContact CZ3-CB 3.66Å; W392-L406 HydrophobicContact CZ3-CD1 4.45Å
393V96.9Very high91.5Very high31 Ų3169.1 Ų69.119%0.18834%0.341CS..EExtended strand (participates in β ladder)trans-85.3101-179.6-1750000109.1E358 G379 Q380 E382 V391E358-V393 HydrophobicContact CG-CG1 4.36Å; E358-V393 HydrophobicContact CG-CG2 4.37Å; G379-V393 CarbonylContact C-O 3.53Å; G379-V393 WeakPolarHBondContact CA-O 3.31Å; Q380-V393 PolarHBondContact N-O 2.96Å; Q380-V393 PolarHBondContact O-N 2.93Å; E382-V393 HydrophobicContact CG-CG2 4.41Å; V391-V393 HydrophobicContact CG1-CG2 3.95Å
394L96Very high91.8Very high13 Ų1366 Ų667%0.06832%0.321CS..  trans-77.3-27.7177.8-64.6170.2000111.9L344 C357 W392 F398 V404L344-L394 HydrophobicContact CD1-CD1 3.88Å; C357-L394 HydrophobicContact CB-CB 4.17Å; C357-L394 WeakPolarHBondContact O-CB 3.3Å; C357-L394 PolarHBondContact O-N 2.88Å; W392-L394 HydrophobicContact CD2-CD2 3.88Å; W392-L394 HydrophobicContact CD2-CG 4.45Å; W392-L394 HydrophobicContact CE3-CD2 4.41Å; W392-L394 HydrophobicContact CG-CD2 4.4Å; W392-L394 HydrophobicContact CH2-CD2 4.11Å; W392-L394 HydrophobicContact CZ2-CD2 3.53Å; W392-L394 PolarHBondContact O-N 3.21Å; L394-F398 HydrophobicContact CD1-CE2 4.35Å; L394-F398 HydrophobicContact CD1-CZ 3.93Å; L394-V404 HydrophobicContact CD2-CB 4.28Å; L394-V404 HydrophobicContact CD2-CG1 4.44Å; L394-V404 HydrophobicContact CD2-CG2 3.71Å
395G92.9Very high92.3Very high25 Ų2567.6 Ų67.626%0.25833%0.333SS..THydrogen-bonded Turntrans82.9-145.4176.700000113.3C357C357-G395 WeakPolarHBondContact CB-O 3.38Å; C357-G395 PolarHBondContact N-O 2.79Å; C357-G395 PolarHBondContact O-N 3.28Å; C357-G395 VanDerWaalsContact O-N 3.15Å
396Q94.6Very high92.9Very high135 Ų13558.1 Ų58.163%0.63129%0.292SS*.THydrogen-bonded Turntrans-88-16.9-168.5-66.8-177.9700114.4F354F354-Q396 WeakPolarHBondContact CB-O 3.27Å; F354-Q396 PolarHBondContact N-O 2.83Å; F354-Q396 WeakPolarHBondContact O-CA 3.47Å; F354-Q396 WeakPolarHBondContact O-CB 3.42Å; F354-Q396 WeakPolarHBondContact O-CG 3.32Å
397K94.7Very high93.7Very high136 Ų13658.2 Ų58.259%0.59129%0.292SS*.  trans-151.7139.8-176.1-62.9-173.9-179.11720111.9N352N352-K397 VanDerWaalsContact OD1-CA 3.29Å; N352-K397 WeakPolarHBondContact OD1-CA 3.38Å
398F95.8Very high94.2Very high11 Ų1154.2 Ų54.25%0.04828%0.279CS..  trans-69.2155.5162.8-79.6-112.7000110.7I325 L344 L346 N352 F354 L394 R402 V404I325-F398 HydrophobicContact CD1-CE2 4.14Å; I325-F398 HydrophobicContact CD1-CZ 3.98Å; I325-F398 HydrophobicContact CG1-CZ 4.33Å; I325-F398 HydrophobicContact CG2-CZ 4.4Å; L344-F398 HydrophobicContact CB-CE1 4.4Å; L346-F398 HydrophobicContact CB-CB 4.45Å; L346-F398 HydrophobicContact CB-CD1 3.85Å; L346-F398 HydrophobicContact CB-CD2 4.14Å; L346-F398 HydrophobicContact CB-CE1 4.08Å; L346-F398 HydrophobicContact CB-CE2 4.37Å; L346-F398 HydrophobicContact CB-CG 3.88Å; L346-F398 HydrophobicContact CB-CZ 4.34Å; L346-F398 HydrophobicContact CD2-CB 4.16Å; L346-F398 HydrophobicContact CD2-CD2 4.01Å; L346-F398 HydrophobicContact CD2-CG 4.12Å; N352-F398 PolarHBondContact ND2-N 2.81Å; N352-F398 PolarHBondContact ND2-O 2.74Å; N352-F398 PolarHBondContact OD1-N 3.45Å; F354-F398 HydrophobicContact CD2-CD2 4.39Å; F354-F398 AromaticContact CE2-CD2 3.71Å; F354-F398 HydrophobicContact CE2-CD2 3.71Å; F354-F398 AromaticContact CE2-CE2 3.91Å; F354-F398 HydrophobicContact CE2-CE2 3.91Å; F354-F398 HydrophobicContact CZ-CD2 4.22Å; F354-F398 AromaticContact CZ-CE2 3.96Å; F354-F398 HydrophobicContact CZ-CE2 3.96Å; L394-F398 HydrophobicContact CD1-CE2 4.35Å; L394-F398 HydrophobicContact CD1-CZ 3.93Å; F398-R402 WeakPolarHBondContact CD1-O 3.37Å; F398-V404 HydrophobicContact CD1-CG1 4.07Å; F398-V404 HydrophobicContact CD1-CG2 4.14Å; F398-V404 HydrophobicContact CE1-CG1 4.46Å; F398-V404 HydrophobicContact CE1-CG2 3.71Å
399P94.7Very high94.6Very high41 Ų4153.3 Ų53.327%0.26628%0.276SS..  trans-62.1171.6171.128-36.2000112S401 R402 E403 V404P399-S401 WeakPolarHBondContact CG-OG 3.31Å; P399-S401 PolarHBondContact O-N 2.77Å; P399-R402 WeakPolarHBondContact O-CA 3.43Å; P399-R402 PolarHBondContact O-N 3.29Å; P399-E403 WeakPolarHBondContact CG-O 3.39Å; P399-V404 HydrophobicContact CG-CG1 3.65Å
400K92.8Very high94.7Very high220 Ų22051.6 Ų51.696%0.95727%0.267SS*.THydrogen-bonded Turntrans-57.9-31.5179.5-70.3-175.8179.3178.80113.4R402K400-R402 PolarHBondContact O-N 3.37Å
401S93.9Very high94.5Very high79 Ų7952.6 Ų52.655%0.55227%0.274SS*.THydrogen-bonded Turntrans-64.5-16.917451.20000113.4P399 E403P399-S401 WeakPolarHBondContact CG-OG 3.31Å; P399-S401 PolarHBondContact O-N 2.77Å; S401-E403 PolarHBondContact O-N 2.85Å; S401-E403 VanDerWaalsContact O-N 3.12Å; S401-E403 PolarHBondContact OG-N 3.32Å; S401-E403 PolarHBondContact OG-O 2.83Å; S401-E403 VanDerWaalsContact OG-O 3.09Å
402R95.7Very high93.9Very high81 Ų8152.6 Ų52.631%0.30627%0.272SS..SBendtrans58.112.7-169.2-62.4-172.5179.5-140.510.7114.2K345 L346 H347 E348 V350 F398 P399 K400K345-R402 CarbonylContact C-O 3.56Å; K345-R402 WeakPolarHBondContact CA-O 3.48Å; L346-R402 HydrophobicContact CB-CB 4.18Å; L346-R402 PolarHBondContact N-O 2.77Å; H347-R402 PolarHBondContact O-NH1 3.11Å; E348-R402 VanDerWaalsContact CA-NH1 3.26Å; E348-R402 PolarHBondContact O-NH1 3.34Å; V350-R402 PolarHBondContact O-NH1 2.99Å; F398-R402 WeakPolarHBondContact CD1-O 3.37Å; P399-R402 WeakPolarHBondContact O-CA 3.43Å; P399-R402 PolarHBondContact O-N 3.29Å; K400-R402 PolarHBondContact O-N 3.37Å
403E96.8Very high92.9Very high90 Ų9056.8 Ų56.842%0.42130%0.302SS..EExtended strand (participates in β ladder)trans-129.3136.5-177.7-172.5171.2-176.100109.7S343 L344 K345 P399 S401S343-E403 PolarHBondContact OG-OE1 2.76Å; L344-E403 WeakPolarHBondContact O-CA 3.19Å; K345-E403 HydrophobicContact CB-CG 4.38Å; K345-E403 HydrophobicContact CG-CB 4.43Å; P399-E403 WeakPolarHBondContact CG-O 3.39Å; S401-E403 PolarHBondContact O-N 2.85Å; S401-E403 VanDerWaalsContact O-N 3.12Å; S401-E403 PolarHBondContact OG-N 3.32Å; S401-E403 PolarHBondContact OG-O 2.83Å; S401-E403 VanDerWaalsContact OG-O 3.09Å
404V97.4Very high91.3Very high2 Ų256.3 Ų56.31%0.01230%0.303CS..EExtended strand (participates in β ladder)trans-133.4149.9179.9-64.70000109S343 L344 S377 W392 L394 F398 P399S343-V404 WeakPolarHBondContact CA-O 3.46Å; L344-V404 HydrophobicContact CB-CG2 3.77Å; L344-V404 HydrophobicContact CD1-CG2 4.43Å; L344-V404 HydrophobicContact CG-CG2 4.48Å; L344-V404 PolarHBondContact N-O 2.96Å; L344-V404 PolarHBondContact O-N 2.96Å; S377-V404 WeakPolarHBondContact OG-CA 3.47Å; W392-V404 HydrophobicContact CH2-CB 3.83Å; W392-V404 HydrophobicContact CH2-CG2 3.57Å; W392-V404 HydrophobicContact CZ2-CB 3.86Å; W392-V404 HydrophobicContact CZ2-CG2 3.91Å; W392-V404 HydrophobicContact CZ3-CG2 4.39Å; L394-V404 HydrophobicContact CD2-CB 4.28Å; L394-V404 HydrophobicContact CD2-CG1 4.44Å; L394-V404 HydrophobicContact CD2-CG2 3.71Å; F398-V404 HydrophobicContact CD1-CG1 4.07Å; F398-V404 HydrophobicContact CD1-CG2 4.14Å; F398-V404 HydrophobicContact CE1-CG1 4.46Å; F398-V404 HydrophobicContact CE1-CG2 3.71Å; P399-V404 HydrophobicContact CG-CG1 3.65Å
405S97.1Very high89.3Confident55 Ų5565 Ų6539%0.38534%0.343SS..EExtended strand (participates in β ladder)trans-136151-178.9590000111.4V342 V376 S377 W392V342-S405 CarbonylContact O-C 3.24Å; V342-S405 WeakPolarHBondContact O-CA 3.13Å; V342-S405 WeakPolarHBondContact O-CB 3.42Å; V376-S405 WeakPolarHBondContact CA-O 3.44Å; S377-S405 PolarHBondContact N-O 2.84Å; S377-S405 PolarHBondContact OG-N 3.5Å; W392-S405 WeakPolarHBondContact CZ2-O 3.26Å
406L96.8Very high87.5Confident0 Ų069.7 Ų69.70%036%0.362CS..EExtended strand (participates in β ladder)trans-129.3125173.3177.6162.4000107.4I340 T341 V342 V374 K375 V376 L381 W392I340-L406 HydrophobicContact CB-CD2 4.3Å; I340-L406 HydrophobicContact CG2-CD2 3.51Å; T341-L406 CarbonylContact C-O 3.56Å; T341-L406 WeakPolarHBondContact CA-O 3.38Å; V342-L406 HydrophobicContact CB-CB 4.08Å; V342-L406 HydrophobicContact CG2-CB 4.31Å; V342-L406 HydrophobicContact CG2-CD2 4.05Å; V342-L406 PolarHBondContact N-O 3.18Å; V342-L406 PolarHBondContact O-N 2.82Å; V374-L406 HydrophobicContact CG1-CD1 4.07Å; V374-L406 HydrophobicContact CG1-CD2 3.36Å; V374-L406 HydrophobicContact CG1-CG 3.45Å; V374-L406 VanDerWaalsContact CG1-CG 3.45Å; K375-L406 WeakPolarHBondContact O-CA 3.49Å; V376-L406 HydrophobicContact CG1-CB 3.93Å; V376-L406 HydrophobicContact CG1-CD1 3.84Å; V376-L406 HydrophobicContact CG1-CG 3.77Å; L381-L406 HydrophobicContact CD2-CD1 3.66Å; W392-L406 HydrophobicContact CB-CD1 4.09Å; W392-L406 HydrophobicContact CD2-CB 4.25Å; W392-L406 HydrophobicContact CD2-CD1 3.85Å; W392-L406 HydrophobicContact CE3-CB 3.85Å; W392-L406 HydrophobicContact CE3-CD1 3.79Å; W392-L406 HydrophobicContact CG-CD1 4.02Å; W392-L406 HydrophobicContact CH2-CB 3.88Å; W392-L406 HydrophobicContact CZ2-CB 4.27Å; W392-L406 HydrophobicContact CZ3-CB 3.66Å; W392-L406 HydrophobicContact CZ3-CD1 4.45Å
407E95.9Very high85.6Confident116 Ų11669 Ų6954%0.54237%0.369SS..EExtended strand (participates in β ladder)trans-142.3136.3179-170.2-179.3173.100110.8I340 K375I340-E407 WeakPolarHBondContact O-CA 3.38Å; K375-E407 PolarHBondContact N-O 2.72Å; K375-E407 PolarHBondContact O-N 2.64Å
408G92.7Very high83.7Confident16 Ų1663.6 Ų63.617%0.16535%0.352CS..EExtended strand (participates in β ladder)trans164.4-161.1173.200000113.3R339 I340 D373R339-G408 CarbonylContact C-O 3.59Å; R339-G408 WeakPolarHBondContact CA-O 3.26Å; I340-G408 PolarHBondContact N-O 2.87Å; I340-G408 PolarHBondContact O-N 2.85Å; D373-G408 CarbonylContact O-C 3.4Å; D373-G408 VanDerWaalsContact O-CA 3.25Å; D373-G408 WeakPolarHBondContact O-CA 3.47Å
409S90.8Very high81.9Confident16 Ų1666.3 Ų66.311%0.11237%0.371CS..EExtended strand (participates in β ladder)trans-127.8141.9-176.5-65.70000111.8Q337 L338 D373Q337-S409 VanDerWaalsContact OE1-CB 3.29Å; L338-S409 WeakPolarHBondContact O-CA 3.46Å; D373-S409 PolarHBondContact N-O 2.93Å; D373-S409 PolarHBondContact O-N 2.67Å
410V89.9Confident80.2Confident0 Ų070.3 Ų70.30%039%0.394CS..EExtended strand (participates in β ladder)trans-118.4128.9172.7177.80000108.8L338 I340 M369 V372 V374 F412L338-V410 PolarHBondContact N-O 3.19Å; L338-V410 PolarHBondContact O-N 3.34Å; I340-V410 HydrophobicContact CD1-CB 4.3Å; I340-V410 HydrophobicContact CD1-CG2 3.47Å; I340-V410 VanDerWaalsContact CD1-CG2 3.47Å; M369-V410 HydrophobicContact CB-CG1 4.3Å; M369-V410 HydrophobicContact CG-CG1 3.71Å; M369-V410 HydrophobicContact SD-CG1 3.84Å; V372-V410 HydrophobicContact CG1-CG2 4.2Å; V372-V410 HydrophobicContact CG2-CG1 4.25Å; V372-V410 HydrophobicContact CG2-CG2 4.36Å; V374-V410 HydrophobicContact CG2-CG2 4.02Å; V410-F412 HydrophobicContact CB-CE2 4.45Å; V410-F412 HydrophobicContact CB-CZ 4.33Å; V410-F412 HydrophobicContact CG1-CD1 4.4Å; V410-F412 HydrophobicContact CG1-CE1 3.89Å; V410-F412 HydrophobicContact CG1-CE2 4.06Å; V410-F412 HydrophobicContact CG1-CZ 3.69Å
411S87.6Confident78.7Confident21 Ų2160.7 Ų60.715%0.14735%0.354CS..EExtended strand (participates in β ladder)trans-99148.3169.273.20000110.4G370 S371G370-S411 PolarHBondContact N-O 3.39Å; S371-S411 WeakPolarHBondContact CB-OG 3.08Å; S371-S411 PolarHBondContact N-OG 2.98Å; S371-S411 PolarHBondContact O-N 2.51Å; S371-S411 PolarHBondContact O-OG 3.47Å; S371-S411 WeakPolarHBondContact OG-CB 3.31Å; S371-S411 PolarHBondContact OG-OG 2.79Å
412F82.7Confident76.9Confident16 Ų1660.2 Ų60.27%0.0735%0.349CS..EExtended strand (participates in β ladder)trans-119.2124.8179-59.2-80.9000108.3L338 F363 R366 D367 M369 V410L338-F412 HydrophobicContact CB-CE2 3.73Å; L338-F412 HydrophobicContact CD2-CE2 3.95Å; L338-F412 HydrophobicContact CD2-CZ 4.1Å; F363-F412 HydrophobicContact CB-CE1 3.93Å; F363-F412 HydrophobicContact CB-CZ 4.29Å; F363-F412 HydrophobicContact CD1-CE1 4.29Å; F363-F412 AromaticContact CD1-CZ 3.81Å; F363-F412 HydrophobicContact CD1-CZ 3.81Å; F363-F412 HydrophobicContact CE1-CZ 4.3Å; F363-F412 AromaticContact CG-CE1 4Å; F363-F412 HydrophobicContact CG-CE1 4Å; F363-F412 AromaticContact CG-CZ 3.97Å; F363-F412 HydrophobicContact CG-CZ 3.97Å; R366-F412 HydrophobicContact CB-CD1 3.73Å; R366-F412 HydrophobicContact CB-CE1 3.82Å; R366-F412 HydrophobicContact CB-CG 4.07Å; R366-F412 HydrophobicContact CB-CZ 4.27Å; R366-F412 HydrophobicContact CG-CD1 4.3Å; R366-F412 HydrophobicContact CG-CD2 4.27Å; R366-F412 HydrophobicContact CG-CE1 4.15Å; R366-F412 HydrophobicContact CG-CE2 4.15Å; R366-F412 HydrophobicContact CG-CG 4.33Å; R366-F412 HydrophobicContact CG-CZ 4.08Å; D367-F412 HydrophobicContact CB-CB 4.3Å; D367-F412 WeakPolarHBondContact O-CD1 3.44Å; M369-F412 HydrophobicContact CG-CD1 4.04Å; M369-F412 HydrophobicContact CG-CE1 3.65Å; V410-F412 HydrophobicContact CB-CE2 4.45Å; V410-F412 HydrophobicContact CB-CZ 4.33Å; V410-F412 HydrophobicContact CG1-CD1 4.4Å; V410-F412 HydrophobicContact CG1-CE1 3.89Å; V410-F412 HydrophobicContact CG1-CE2 4.06Å; V410-F412 HydrophobicContact CG1-CZ 3.69Å
413S74.4Confident75.1Confident89 Ų8959.3 Ų59.362%0.62235%0.349SS*.  trans-153.730.5-174.969.90000112.6Q368Q368-S413 PolarHBondContact O-N 3.34Å
414G63.8Low73.3Confident20 Ų2055.1 Ų55.121%0.20633%0.33CS..  trans-64.5151.1-177.900000114.2Q368 L416Q368-G414 PolarHBondContact O-N 3.36Å; G414-L416 VanDerWaalsContact C-N 3.33Å
415E53.7Low71.3Confident195 Ų19557.7 Ų57.791%0.91135%0.346SS*.SBendtrans-73.7-23179.4-64.1-178.716800113.4
416L55Low69.4Low125 Ų12558.9 Ų58.965%0.65435%0.348SS*.SBendtrans-96.4119.8175.5-78.3157.7000108.8G414 G418G414-L416 VanDerWaalsContact C-N 3.33Å; L416-G418 PolarHBondContact O-N 2.9Å; L416-G418 VanDerWaalsContact O-N 3.09Å
417P55.3Low67.5Low119 Ų11959.1 Ų59.177%0.77335%0.349SS*.  trans-66.3111.6178.225.7-31.2000109.4D367D367-P417 WeakPolarHBondContact OD1-CA 3.36Å
418G55.4Low66Low24 Ų2453.7 Ų53.725%0.24732%0.324CS..  trans-78.4172.4166.200000110.8D367 L416 T420D367-G418 PolarHBondContact OD1-N 2.86Å; L416-G418 PolarHBondContact O-N 2.9Å; L416-G418 VanDerWaalsContact O-N 3.09Å; G418-T420 PolarHBondContact O-N 2.97Å
419P57.9Low65.4Low67 Ų6753 Ų5344%0.43532%0.317SS..  trans-53.6132.7165.1-16.528.4000109.2N365 D421N365-P419 CarbonylContact C-O 3.21Å; N365-P419 HydrophobicContact CB-CB 4.46Å; P419-D421 PolarHBondContact O-N 2.85Å
420T57.7Low65.3Low125 Ų12553.5 Ų53.577%0.76732%0.317SS*.  trans-88.385.4174.529.70000109.9G418G418-T420 PolarHBondContact O-N 2.97Å
421D62Low65.4Low18 Ų1853.5 Ų53.510%0.09632%0.317CS..  trans-105.3104.9167.9-173.5-26.2000111N365 R366 P419 L423 C424 T425N365-D421 HydrophobicContact CB-CB 4.24Å; N365-D421 PolarHBondContact O-N 3.35Å; R366-D421 WeakPolarHBondContact CD-O 3.45Å; R366-D421 PolarHBondContact NE-O 2.96Å; P419-D421 PolarHBondContact O-N 2.85Å; D421-L423 PolarHBondContact O-N 2.86Å; D421-L423 VanDerWaalsContact O-N 3.11Å; D421-L423 PolarHBondContact OD1-N 3.37Å; D421-C424 PolarHBondContact O-N 3.35Å; D421-C424 PolarHBondContact OD1-N 2.84Å; D421-C424 VanDerWaalsContact OD1-N 3.12Å; D421-T425 PolarHBondContact OD1-N 2.83Å; D421-T425 PolarHBondContact OD1-OG1 3.29Å; D421-T425 VanDerWaalsContact OD1-OG1 3.05Å; D421-T425 VanDerWaalsContact OD2-CA 3.28Å; D421-T425 WeakPolarHBondContact OD2-CA 3.15Å; D421-T425 WeakPolarHBondContact OD2-CB 3.25Å; D421-T425 PolarHBondContact OD2-N 3.13Å; D421-T425 PolarHBondContact OD2-OG1 2.69Å
422P56.5Low65.6Low69 Ų6954.7 Ų54.745%0.44832%0.319SS..THydrogen-bonded Turntrans-60.8-20.4-174.7-23.133.3000115.9R366R366-P422 VanDerWaalsContact NH2-CA 3.25Å; R366-P422 PolarHBondContact NH2-O 3.5Å
423L58Low66.3Low62 Ų6254 Ų5433%0.32532%0.316SS..THydrogen-bonded Turntrans-124.68.8-178.4-79.8162.5000112.8D333 D421 T425D333-L423 HydrophobicContact CB-CD2 4.14Å; D333-L423 HydrophobicContact CB-CG 4.49Å; D421-L423 PolarHBondContact O-N 2.86Å; D421-L423 VanDerWaalsContact O-N 3.11Å; D421-L423 PolarHBondContact OD1-N 3.37Å; L423-T425 HydrophobicContact CB-CG2 3.7Å; L423-T425 PolarHBondContact O-N 2.88Å
424C59.1Low67.3Low2 Ų253.6 Ų53.61%0.01430%0.301CS..  trans49.644.1-163.1-55.60000109.6L331 D421 T428 A429L331-C424 HydrophobicContact CD1-CB 4.33Å; D421-C424 PolarHBondContact O-N 3.35Å; D421-C424 PolarHBondContact OD1-N 2.84Å; D421-C424 VanDerWaalsContact OD1-N 3.12Å; C424-T428 PolarHBondContact O-OG1 2.83Å; C424-A429 HydrophobicContact CB-CB 3.96Å; C424-A429 WeakPolarHBondContact O-CB 3.5Å; C424-A429 PolarHBondContact O-N 3.03Å
425T55.1Low68.9Low56 Ų5652.6 Ų52.634%0.34429%0.292SS..THydrogen-bonded Turntrans-53163.3175.961.90000111.9D421 L423 T428D421-T425 PolarHBondContact OD1-N 2.83Å; D421-T425 PolarHBondContact OD1-OG1 3.29Å; D421-T425 VanDerWaalsContact OD1-OG1 3.05Å; D421-T425 VanDerWaalsContact OD2-CA 3.28Å; D421-T425 WeakPolarHBondContact OD2-CA 3.15Å; D421-T425 WeakPolarHBondContact OD2-CB 3.25Å; D421-T425 PolarHBondContact OD2-N 3.13Å; D421-T425 PolarHBondContact OD2-OG1 2.69Å; L423-T425 HydrophobicContact CB-CG2 3.7Å; L423-T425 PolarHBondContact O-N 2.88Å; T425-T428 PolarHBondContact O-OG1 2.79Å
426D56.6Low71Confident81 Ų8147 Ų4743%0.43326%0.262SS..G310 helixtrans61.6-138.7-167.6-54.6-43.6000112T428 T481D426-T428 VanDerWaalsContact C-N 3.33Å; D426-T428 PolarHBondContact O-N 3.11Å; D426-T481 VanDerWaalsContact CA-OG1 3.24Å; D426-T481 WeakPolarHBondContact CA-OG1 3.49Å; D426-T481 PolarHBondContact N-OG1 2.83Å; D426-T481 VanDerWaalsContact O-O 3.12Å
427L58.3Low72.9Confident4 Ų441 Ų412%0.02123%0.231CC..G310 helixtrans-99.823-159-54.9-166.1000113.5C73 L74 Y430 W476 P483C73-L427 HydrophobicContact CB-CB 3.23Å; C73-L427 HydrophobicContact CB-CD1 4.36Å; C73-L427 HydrophobicContact CB-CG 4.41Å; C73-L427 WeakPolarHBondContact CB-O 3.31Å; C73-L427 WeakPolarHBondContact O-CD1 3.25Å; C73-L427 PolarHBondContact SG-O 2.78Å; L74-L427 VanDerWaalsContact CA-CD1 3.44Å; L74-L427 HydrophobicContact CB-CD1 4.04Å; L74-L427 HydrophobicContact CD2-CD1 3.36Å; L74-L427 HydrophobicContact CD2-CG 3.92Å; L74-L427 HydrophobicContact CG-CD1 3.56Å; L74-L427 HydrophobicContact CG-CG 3.88Å; L74-L427 VanDerWaalsContact N-CD1 3.25Å; L427-Y430 VanDerWaalsContact O-CD1 3.28Å; L427-Y430 WeakPolarHBondContact O-CD1 3.42Å; L427-Y430 WeakPolarHBondContact O-CE1 3.5Å; L427-W476 HydrophobicContact CB-CH2 4.06Å; L427-W476 HydrophobicContact CB-CZ3 4.07Å; L427-W476 HydrophobicContact CD2-CH2 4.38Å; L427-W476 HydrophobicContact CD2-CZ3 4.14Å; L427-W476 WeakPolarHBondContact O-CZ3 3.41Å; L427-P483 HydrophobicContact CD1-CB 3.56Å; L427-P483 HydrophobicContact CD1-CG 3.66Å; L427-P483 HydrophobicContact CD2-CB 3.98Å; L427-P483 HydrophobicContact CD2-CG 3.6Å; L427-P483 HydrophobicContact CG-CB 4.47Å; L427-P483 HydrophobicContact CG-CG 4.21Å
428T64.4Low74.9Confident2 Ų237.4 Ų37.41%0.01221%0.207CC..G310 helixtrans-105.8-14.9-179.562.60000114N365 C424 T425 D426 Y430N365-T428 WeakPolarHBondContact ND2-CG2 3.41Å; N365-T428 PolarHBondContact ND2-OG1 3.3Å; C424-T428 PolarHBondContact O-OG1 2.83Å; T425-T428 PolarHBondContact O-OG1 2.79Å; D426-T428 VanDerWaalsContact C-N 3.33Å; D426-T428 PolarHBondContact O-N 3.11Å; T428-Y430 PolarHBondContact O-N 3.04Å
429A79.9Confident76.7Confident3 Ų340.4 Ų40.43%0.02522%0.218CC..  trans-86.576.2172.500000112Y329 L331 C424 N477Y329-A429 HydrophobicContact CE1-CB 4.49Å; L331-A429 HydrophobicContact CD1-CB 3.77Å; C424-A429 HydrophobicContact CB-CB 3.96Å; C424-A429 WeakPolarHBondContact O-CB 3.5Å; C424-A429 PolarHBondContact O-N 3.03Å; A429-N477 HydrophobicContact CB-CB 3.6Å; A429-N477 WeakPolarHBondContact O-CB 3.17Å; A429-N477 PolarHBondContact O-N 2.88Å
430Y87.1Confident78.4Confident26 Ų2638.4 Ų38.410%0.10220%0.203CC..EExtended strand (participates in β ladder)trans-135.8165.517264.9-95.2000112.5C73 P362 L427 T428 K432 F474 I475 W476C73-Y430 VanDerWaalsContact SG-CE1 3.55Å; P362-Y430 WeakPolarHBondContact CD-O 3.44Å; P362-Y430 HydrophobicContact CG-CD2 4.26Å; P362-Y430 HydrophobicContact CG-CE1 4.1Å; P362-Y430 HydrophobicContact CG-CE2 3.64Å; L427-Y430 VanDerWaalsContact O-CD1 3.28Å; L427-Y430 WeakPolarHBondContact O-CD1 3.42Å; L427-Y430 WeakPolarHBondContact O-CE1 3.5Å; T428-Y430 PolarHBondContact O-N 3.04Å; Y430-K432 HydrophobicContact CD2-CB 4.08Å; Y430-K432 HydrophobicContact CE2-CB 3.88Å; Y430-F474 AromaticContact CD2-CD1 3.5Å; Y430-F474 HydrophobicContact CD2-CD1 3.5Å; Y430-F474 AromaticContact CD2-CE1 3.78Å; Y430-F474 HydrophobicContact CD2-CE1 3.78Å; Y430-F474 AromaticContact CE2-CD1 3.89Å; Y430-F474 HydrophobicContact CE2-CD1 3.89Å; Y430-F474 AromaticContact CE2-CE1 3.64Å; Y430-F474 HydrophobicContact CE2-CE1 3.64Å; Y430-F474 AromaticContact CG-CD1 3.92Å; Y430-F474 HydrophobicContact CG-CD1 3.92Å; Y430-F474 HydrophobicContact CG-CE1 4.35Å; Y430-I475 CarbonylContact C-O 3.59Å; Y430-I475 WeakPolarHBondContact CA-O 3.49Å; Y430-W476 AromaticContact CD1-CH2 3.86Å; Y430-W476 HydrophobicContact CD1-CH2 3.86Å; Y430-W476 AromaticContact CD1-CZ3 3.77Å; Y430-W476 HydrophobicContact CD1-CZ3 3.77Å; Y430-W476 HydrophobicContact CG-CH2 4.32Å; Y430-W476 HydrophobicContact CG-CZ3 4.21Å
431I92.3Very high80.2Confident0 Ų033 Ų330%017%0.17CC..EExtended strand (participates in β ladder)trans-112.3127.7163-48.9-170.3000107.5Y329 V342 A359 H360 L361 L433 F474 I475Y329-I431 HydrophobicContact CD1-CD1 4.25Å; Y329-I431 HydrophobicContact CD1-CG1 3.7Å; Y329-I431 HydrophobicContact CD2-CD1 3.79Å; Y329-I431 HydrophobicContact CD2-CG1 4.08Å; Y329-I431 HydrophobicContact CE1-CG1 4Å; Y329-I431 HydrophobicContact CE2-CD1 4.29Å; Y329-I431 HydrophobicContact CE2-CG1 4.34Å; Y329-I431 HydrophobicContact CG-CD1 3.74Å; Y329-I431 HydrophobicContact CG-CG1 3.72Å; V342-I431 HydrophobicContact CB-CD1 4.08Å; V342-I431 HydrophobicContact CG1-CD1 3.35Å; V342-I431 HydrophobicContact CG2-CD1 3.5Å; A359-I431 HydrophobicContact CB-CG2 3.72Å; H360-I431 WeakPolarHBondContact O-CA 3.21Å; L361-I431 HydrophobicContact CD1-CD1 4.46Å; L361-I431 HydrophobicContact CD1-CG2 4.08Å; L361-I431 HydrophobicContact CD2-CD1 4.02Å; L361-I431 HydrophobicContact CD2-CG1 4.2Å; L361-I431 HydrophobicContact CG-CD1 4.13Å; L361-I431 HydrophobicContact CG-CG1 3.94Å; L361-I431 HydrophobicContact CG-CG2 4.26Å; I431-L433 HydrophobicContact CG2-CD2 4.4Å; I431-F474 CarbonylContact O-C 3.57Å; I431-F474 WeakPolarHBondContact O-CA 3.03Å; I431-I475 HydrophobicContact CB-CB 4.27Å; I431-I475 PolarHBondContact N-O 2.95Å; I431-I475 PolarHBondContact O-N 3.35Å
432K93.4Very high81.6Confident46 Ų4633.3 Ų33.320%0.217%0.171CC..EExtended strand (participates in β ladder)trans-102123.1171.3-172.1167.9178.21750110H360 Y430 Y434 Y473 F474H360-K432 PolarHBondContact N-O 3.03Å; H360-K432 PolarHBondContact O-N 2.84Å; Y430-K432 HydrophobicContact CD2-CB 4.08Å; Y430-K432 HydrophobicContact CE2-CB 3.88Å; K432-Y434 HydrophobicContact CB-CE2 4.09Å; K432-Y434 HydrophobicContact CD-CE1 4.5Å; K432-Y434 HydrophobicContact CD-CE2 3.92Å; K432-Y434 VanDerWaalsContact CD-OH 3.3Å; K432-Y434 WeakPolarHBondContact CD-OH 3.44Å; K432-Y434 VanDerWaalsContact CE-OH 3.28Å; K432-Y434 WeakPolarHBondContact CE-OH 3.43Å; K432-Y434 HydrophobicContact CG-CD2 4.38Å; K432-Y434 HydrophobicContact CG-CE2 3.7Å; K432-Y434 PolarHBondContact NZ-OH 2.95Å; K432-Y473 CarbonylContact C-O 3.55Å; K432-Y473 WeakPolarHBondContact CA-O 3.31Å; K432-F474 HydrophobicContact CB-CD1 4.19Å; K432-F474 HydrophobicContact CB-CE1 4.14Å; K432-F474 HydrophobicContact CD-CD1 4.46Å; K432-F474 HydrophobicContact CD-CE1 3.71Å; K432-F474 HydrophobicContact CD-CZ 3.96Å; K432-F474 HydrophobicContact CG-CD1 4.33Å; K432-F474 HydrophobicContact CG-CE1 4.06Å
433L95.9Very high83.3Confident0 Ų030.1 Ų30.10%015%0.151CC..EExtended strand (participates in β ladder)trans-91133.5177.7-68.6-177.5000111.1I325 L344 E358 A359 I431 F435 S470 Y473 I475I325-L433 HydrophobicContact CB-CD1 4.02Å; I325-L433 HydrophobicContact CD1-CD1 4.22Å; I325-L433 HydrophobicContact CG2-CD1 3.78Å; L344-L433 HydrophobicContact CD1-CD2 4.06Å; E358-L433 WeakPolarHBondContact O-CA 3.17Å; A359-L433 HydrophobicContact CB-CD2 3.45Å; A359-L433 VanDerWaalsContact CB-CD2 3.45Å; I431-L433 HydrophobicContact CG2-CD2 4.4Å; L433-F435 HydrophobicContact CB-CD1 4.19Å; L433-F435 HydrophobicContact CB-CE1 4.37Å; L433-S470 WeakPolarHBondContact O-CB 3.46Å; L433-S470 PolarHBondContact O-OG 2.83Å; L433-Y473 HydrophobicContact CB-CD1 3.78Å; L433-Y473 HydrophobicContact CB-CG 4.18Å; L433-Y473 HydrophobicContact CD1-CD1 3.67Å; L433-Y473 HydrophobicContact CD1-CE1 3.61Å; L433-Y473 HydrophobicContact CG-CD1 4.02Å; L433-Y473 HydrophobicContact CG-CE1 4.46Å; L433-Y473 PolarHBondContact N-O 3.14Å; L433-I475 HydrophobicContact CD1-CD1 3.76Å; L433-I475 HydrophobicContact CG-CD1 4.08Å
434Y96.6Very high84.9Confident81 Ų8128.3 Ų28.332%0.31815%0.147SC..EExtended strand (participates in β ladder)trans-119.1116173-67.2-87000108.8C357 E358 H360 K432 S470C357-Y434 CarbonylContact C-O 3.57Å; C357-Y434 VanDerWaalsContact CA-O 3.29Å; C357-Y434 WeakPolarHBondContact CA-O 3.4Å; E358-Y434 PolarHBondContact N-O 3.2Å; E358-Y434 PolarHBondContact O-N 2.82Å; H360-Y434 HydrophobicContact CB-CD2 4.27Å; H360-Y434 HydrophobicContact CB-CE2 3.97Å; H360-Y434 AromaticContact CD2-CD2 3.66Å; H360-Y434 AromaticContact CE1-CD2 3.92Å; H360-Y434 AromaticContact CE1-CE2 3.92Å; H360-Y434 AromaticContact CG-CD2 3.69Å; H360-Y434 AromaticContact CG-CE2 3.61Å; H360-Y434 AromaticContact ND1-CD2 3.87Å; H360-Y434 AromaticContact ND1-CE2 3.52Å; H360-Y434 AromaticContact NE2-CD2 3.81Å; K432-Y434 HydrophobicContact CB-CE2 4.09Å; K432-Y434 HydrophobicContact CD-CE1 4.5Å; K432-Y434 HydrophobicContact CD-CE2 3.92Å; K432-Y434 VanDerWaalsContact CD-OH 3.3Å; K432-Y434 WeakPolarHBondContact CD-OH 3.44Å; K432-Y434 VanDerWaalsContact CE-OH 3.28Å; K432-Y434 WeakPolarHBondContact CE-OH 3.43Å; K432-Y434 HydrophobicContact CG-CD2 4.38Å; K432-Y434 HydrophobicContact CG-CE2 3.7Å; K432-Y434 PolarHBondContact NZ-OH 2.95Å; Y434-S470 VanDerWaalsContact CA-OG 3.29Å; Y434-S470 WeakPolarHBondContact CA-OG 2.86Å
435F96.9Very high86.4Confident0 Ų028.2 Ų28.20%015%0.146CC..EExtended strand (participates in β ladder)trans-149.7155.3177.462.4-101.3000113.1V220 P324 I325 F354 Y356 C357 L433 V437 L468 S470 Y473V220-F435 HydrophobicContact CG1-CE2 4Å; V220-F435 HydrophobicContact CG1-CZ 3.57Å; P324-F435 HydrophobicContact CB-CE2 4.48Å; P324-F435 HydrophobicContact CB-CZ 4.14Å; P324-F435 HydrophobicContact CG-CE2 4.49Å; P324-F435 HydrophobicContact CG-CZ 4.15Å; I325-F435 HydrophobicContact CD1-CD1 3.91Å; I325-F435 HydrophobicContact CD1-CE1 4.06Å; F354-F435 HydrophobicContact CD1-CB 3.9Å; F354-F435 HydrophobicContact CE1-CB 4.02Å; F354-F435 HydrophobicContact CE1-CD2 4.19Å; F354-F435 HydrophobicContact CE1-CG 4.18Å; Y356-F435 VanDerWaalsContact O-CA 3.25Å; Y356-F435 WeakPolarHBondContact O-CA 3.37Å; C357-F435 HydrophobicContact CB-CB 4.13Å; L433-F435 HydrophobicContact CB-CD1 4.19Å; L433-F435 HydrophobicContact CB-CE1 4.37Å; F435-V437 HydrophobicContact CD2-CG2 4.28Å; F435-L468 HydrophobicContact CE2-CD2 4.32Å; F435-L468 HydrophobicContact CE2-CG 4.32Å; F435-S470 PolarHBondContact N-OG 2.88Å; F435-S470 PolarHBondContact O-N 2.86Å; F435-S470 PolarHBondContact O-OG 3.01Å; F435-Y473 AromaticContact CE1-CD2 3.93Å; F435-Y473 HydrophobicContact CE1-CD2 3.93Å; F435-Y473 HydrophobicContact CE1-CE2 4.05Å; F435-Y473 HydrophobicContact CE1-CG 4.19Å; F435-Y473 HydrophobicContact CZ-CD2 4.09Å; F435-Y473 HydrophobicContact CZ-CE2 4.04Å
436R96.9Very high88.2Confident76 Ų7627 Ų2729%0.28714%0.14SC..EExtended strand (participates in β ladder)trans-134.2127.2172.2174.6168-170.2-156.18.3110F354 E355 Y356 E467 L468 L469F354-R436 CarbonylContact C-O 3.5Å; F354-R436 WeakPolarHBondContact CA-O 3.37Å; E355-R436 HydrophobicContact CB-CB 4.21Å; E355-R436 HydrophobicContact CB-CG 4.07Å; E355-R436 PolarHBondContact N-O 3.02Å; E355-R436 IonicContact OE1-CZ 3.86Å; E355-R436 IonicContact OE1-NH1 3.83Å; E355-R436 PolarHBondContact OE1-NH1 2.87Å; E355-R436 WeakPolarHBondContact OE2-CD 3.16Å; E355-R436 IonicContact OE2-CZ 3.95Å; E355-R436 IonicContact OE2-NE 3.94Å; E355-R436 PolarHBondContact OE2-NE 2.83Å; E355-R436 VanDerWaalsContact OE2-NE 3.16Å; E355-R436 IonicContact OE2-NH1 3.66Å; E355-R436 PolarHBondContact OE2-NH1 3.4Å; Y356-R436 HydrophobicContact CD1-CB 3.91Å; Y356-R436 HydrophobicContact CE1-CB 3.4Å; Y356-R436 VanDerWaalsContact CE1-CB 3.4Å; Y356-R436 HydrophobicContact CE1-CG 4.3Å; Y356-R436 HydrophobicContact CE2-CB 4.33Å; Y356-R436 PolarHBondContact O-N 3.09Å; Y356-R436 VanDerWaalsContact O-N 3.07Å; R436-E467 IonicContact CZ-OE2 2.74Å; R436-E467 IonicContact NE-OE2 3.18Å; R436-E467 PolarHBondContact NE-OE2 3.46Å; R436-E467 IonicContact NH2-OE2 3.56Å; R436-E467 PolarHBondContact NH2-OE2 2.82Å; R436-L468 WeakPolarHBondContact CA-O 3.43Å; R436-L469 HydrophobicContact CB-CD2 3.65Å; R436-L469 HydrophobicContact CG-CD2 3.45Å; R436-L469 VanDerWaalsContact CG-CD2 3.45Å
437V96.6Very high90Very high0 Ų024 Ų240%012%0.124CC..EExtended strand (participates in β ladder)trans-118.9106.8176.2-1710000108.9F354 F435 L440 E467 L468F354-V437 HydrophobicContact CD1-CG2 3.44Å; F354-V437 VanDerWaalsContact CD1-CG2 3.44Å; F354-V437 HydrophobicContact CE1-CG2 3.4Å; F354-V437 VanDerWaalsContact CE1-CG2 3.4Å; F354-V437 HydrophobicContact CG-CG2 4.21Å; F354-V437 HydrophobicContact CZ-CG2 4.13Å; F435-V437 HydrophobicContact CD2-CG2 4.28Å; V437-L440 HydrophobicContact CB-CB 4.34Å; V437-L440 HydrophobicContact CB-CD2 4.19Å; V437-L440 HydrophobicContact CG1-CB 3.78Å; V437-L440 HydrophobicContact CG1-CD2 3.71Å; V437-L440 HydrophobicContact CG1-CG 4.4Å; V437-E467 WeakPolarHBondContact O-CA 3.29Å; V437-L468 HydrophobicContact CB-CB 4.29Å; V437-L468 PolarHBondContact N-O 3.2Å; V437-L468 PolarHBondContact O-N 2.94Å
438P95.9Very high91.5Very high43 Ų4327.3 Ų27.328%0.27914%0.142SC..EExtended strand (participates in β ladder)trans-67.4154.6174.428.2-35.7000111.7S353 L440S353-P438 WeakPolarHBondContact O-CD 3.45Å; P438-L440 PolarHBondContact O-N 2.68Å; P438-L440 VanDerWaalsContact O-N 3.16Å
439D93.8Very high92.7Very high88 Ų8831.8 Ų31.847%0.47116%0.163SC..THydrogen-bonded Turntrans5922175.1-55.4-43.7000115.4R351 R466R351-D439 IonicContact NH1-OD2 2.72Å; D439-R466 VanDerWaalsContact CA-O 3.32Å; D439-R466 WeakPolarHBondContact CA-O 3.3Å; D439-R466 PolarHBondContact N-O 2.86Å; D439-R466 PolarHBondContact O-NE 2.97Å; D439-R466 PolarHBondContact O-NH2 2.84Å; D439-R466 VanDerWaalsContact O-NH2 3.16Å
440L93.6Very high93.2Very high24 Ų2439.5 Ų39.513%0.12620%0.198CC..  trans-127.2142.4179.4-175.268000111.4V350 V437 P438 E467 L468V350-L440 HydrophobicContact CB-CD2 4.47Å; V350-L440 HydrophobicContact CG1-CD2 3.72Å; V437-L440 HydrophobicContact CB-CB 4.34Å; V437-L440 HydrophobicContact CB-CD2 4.19Å; V437-L440 HydrophobicContact CG1-CB 3.78Å; V437-L440 HydrophobicContact CG1-CD2 3.71Å; V437-L440 HydrophobicContact CG1-CG 4.4Å; P438-L440 PolarHBondContact O-N 2.68Å; P438-L440 VanDerWaalsContact O-N 3.16Å; L440-E467 CarbonylContact O-C 3.54Å; L440-E467 WeakPolarHBondContact O-CA 3.12Å; L440-L468 HydrophobicContact CD2-CD2 3.9Å; L440-L468 PolarHBondContact O-N 2.81Å
441T94.3Very high93.3Very high11 Ų1139.2 Ų39.27%0.06720%0.2CC..  trans-127.8141.1161.446.40000107.5L216 E218 C445 R466L216-T441 HydrophobicContact CD2-CG2 3.44Å; L216-T441 VanDerWaalsContact CD2-CG2 3.44Å; L216-T441 HydrophobicContact CG-CG2 3.95Å; E218-T441 HydrophobicContact CG-CG2 4.05Å; E218-T441 WeakPolarHBondContact OE1-CB 3.31Å; E218-T441 WeakPolarHBondContact OE2-CA 3.32Å; T441-C445 WeakPolarHBondContact CB-O 3.49Å; T441-C445 WeakPolarHBondContact CG2-O 3.21Å; T441-C445 PolarHBondContact OG1-O 2.83Å; T441-R466 HydrophobicContact CG2-CB 4.06Å; T441-R466 HydrophobicContact CG2-CG 4.49Å
442L93Very high93.3Very high25 Ų2539.6 Ų39.613%0.13120%0.202CC..SBendtrans-81-33.2-177.8-158.165.2000112E218 V220 V236 V320 P324 V350 G444 L468E218-L442 WeakPolarHBondContact OE2-CA 3.45Å; E218-L442 PolarHBondContact OE2-N 3.11Å; V220-L442 HydrophobicContact CB-CD2 4.48Å; V220-L442 HydrophobicContact CG2-CD2 4.23Å; V236-L442 HydrophobicContact CG2-CB 4.24Å; V236-L442 HydrophobicContact CG2-CD2 3.78Å; V236-L442 HydrophobicContact CG2-CG 4.47Å; V320-L442 HydrophobicContact CB-CD2 4.35Å; V320-L442 HydrophobicContact CB-CG 4.3Å; V320-L442 HydrophobicContact CG1-CB 4.29Å; V320-L442 HydrophobicContact CG1-CD2 4.37Å; V320-L442 HydrophobicContact CG1-CG 4.09Å; V320-L442 HydrophobicContact CG2-CD2 3.74Å; V320-L442 HydrophobicContact CG2-CG 4.23Å; P324-L442 HydrophobicContact CG-CD1 3.82Å; P324-L442 HydrophobicContact CG-CD2 3.58Å; P324-L442 HydrophobicContact CG-CG 4.37Å; V350-L442 HydrophobicContact CG2-CD1 4.22Å; L442-G444 PolarHBondContact O-N 3.44Å; L442-L468 HydrophobicContact CB-CD1 4.09Å; L442-L468 HydrophobicContact CB-CD2 4.4Å; L442-L468 HydrophobicContact CD1-CD2 4.31Å
443S92.1Very high93.2Very high3 Ų341.8 Ų41.82%0.02121%0.213CC..SBendtrans-70.5-18.217273.90000112.9E218 S264 C445E218-S443 VanDerWaalsContact OE1-CB 3.31Å; E218-S443 WeakPolarHBondContact OE1-CB 3.46Å; E218-S443 PolarHBondContact OE1-OG 2.86Å; E218-S443 PolarHBondContact OE2-N 2.84Å; S264-S443 PolarHBondContact N-O 3.13Å; S443-C445 VanDerWaalsContact C-N 3.26Å; S443-C445 WeakPolarHBondContact OG-CB 3.35Å; S443-C445 PolarHBondContact OG-N 3.42Å
444G90.6Very high92.9Very high23 Ų2343.2 Ų43.224%0.23722%0.222CC..  trans82.6-1.3-168.700000113.7P260 L442 C446P260-G444 WeakPolarHBondContact CD-O 3.24Å; L442-G444 PolarHBondContact O-N 3.44Å; G444-C446 PolarHBondContact O-N 3.21Å
445C92.3Very high92.3Very high0 Ų046.4 Ų46.40%023%0.234CC..  trans-55.6134.6176.9-1750000111L216 T258 L259 L266 Y316 T441 S443L216-C445 HydrophobicContact CD2-CB 4.16Å; L216-C445 VanDerWaalsContact CD2-O 3.26Å; L216-C445 WeakPolarHBondContact CD2-O 3.49Å; T258-C445 WeakPolarHBondContact O-CA 3.4Å; L259-C445 HydrophobicContact CD2-CB 3.85Å; L266-C445 HydrophobicContact CD2-CB 4.37Å; Y316-C445 VanDerWaalsContact OH-CB 3.31Å; Y316-C445 WeakPolarHBondContact OH-CB 3.37Å; T441-C445 WeakPolarHBondContact CB-O 3.49Å; T441-C445 WeakPolarHBondContact CG2-O 3.21Å; T441-C445 PolarHBondContact OG1-O 2.83Å; S443-C445 VanDerWaalsContact C-N 3.26Å; S443-C445 WeakPolarHBondContact OG-CB 3.35Å; S443-C445 PolarHBondContact OG-N 3.42Å
446C92.3Very high91.2Very high32 Ų3248.1 Ų48.122%0.21625%0.247CC..BIsolated β-bridgetrans-144.4159.2176.568.30000112.6T258 G444T258-C446 PolarHBondContact N-O 2.95Å; T258-C446 PolarHBondContact O-N 2.84Å; T258-C446 PolarHBondContact OG1-O 2.73Å; T258-C446 PolarHBondContact OG1-SG 3Å; G444-C446 PolarHBondContact O-N 3.21Å
447V93.5Very high89.9Confident16 Ų1649.7 Ų49.710%0.09727%0.269CS..  trans-119.8111.6168.8-170.80000107.6V214 V255 L257 V452 T464V214-V447 HydrophobicContact CG1-CB 4.36Å; V214-V447 HydrophobicContact CG1-CG1 4.13Å; V214-V447 HydrophobicContact CG1-CG2 4.14Å; V255-V447 HydrophobicContact CG1-CG1 3.95Å; V255-V447 HydrophobicContact CG1-CG2 4.35Å; L257-V447 HydrophobicContact CD2-CG2 3.28Å; V447-V452 HydrophobicContact CG1-CG2 3.71Å; V447-T464 HydrophobicContact CB-CG2 4.3Å; V447-T464 HydrophobicContact CG1-CG2 4.02Å; V447-T464 WeakPolarHBondContact O-CB 3.46Å; V447-T464 WeakPolarHBondContact O-CG2 3.32Å; V447-T464 PolarHBondContact O-OG1 2.86Å
448D89.6Confident88.9Confident75 Ų7551.8 Ų51.840%0.40129%0.287SS..  trans-83.4147.1174.9-173.7-98.3000110.5H450 S451D448-H450 PolarHBondContact O-N 2.8Å; D448-H450 WeakPolarHBondContact OD1-CA 3.28Å; D448-H450 WeakPolarHBondContact OD1-CB 3.49Å; D448-H450 IonicContact OD1-CE1 3.93Å; D448-H450 IonicContact OD1-CG 3.33Å; D448-H450 PolarHBondContact OD1-N 3.23Å; D448-H450 IonicContact OD1-ND1 2.73Å; D448-H450 PolarHBondContact OD1-ND1 3.06Å; D448-S451 PolarHBondContact N-OG 3.03Å; D448-S451 PolarHBondContact O-N 3.27Å; D448-S451 PolarHBondContact O-OG 3.31Å
449Q91Very high88.2Confident96 Ų9659.6 Ų59.645%0.44932%0.316SS..THydrogen-bonded Turntrans-61.1-29.8179.6-65.7179.113.200112.4I462 T464Q449-I462 HydrophobicContact CB-CG2 4.14Å; Q449-I462 HydrophobicContact CG-CG2 4.27Å; Q449-I462 WeakPolarHBondContact O-CD1 3.14Å; Q449-T464 HydrophobicContact CG-CG2 4.04Å
450H90Very high87.9Confident164 Ų16456 Ų5676%0.75930%0.298SS*.THydrogen-bonded Turntrans-81.4-16.2177.3-49.386.7000112.6D448 V452D448-H450 PolarHBondContact O-N 2.8Å; D448-H450 WeakPolarHBondContact OD1-CA 3.28Å; D448-H450 WeakPolarHBondContact OD1-CB 3.49Å; D448-H450 IonicContact OD1-CE1 3.93Å; D448-H450 IonicContact OD1-CG 3.33Å; D448-H450 PolarHBondContact OD1-N 3.23Å; D448-H450 IonicContact OD1-ND1 2.73Å; D448-H450 PolarHBondContact OD1-ND1 3.06Å; H450-V452 VanDerWaalsContact C-N 3.3Å
451S89.8Confident87.8Confident21 Ų2163.6 Ų63.615%0.14733%0.325CS..THydrogen-bonded Turntrans-82.9-10.9177.787.20000112.8T256 D448T256-S451 PolarHBondContact O-OG 3.42Å; T256-S451 PolarHBondContact OG1-O 2.8Å; T256-S451 VanDerWaalsContact OG1-O 3.11Å; D448-S451 PolarHBondContact N-OG 3.03Å; D448-S451 PolarHBondContact O-N 3.27Å; D448-S451 PolarHBondContact O-OG 3.31Å
452V92.1Very high87.8Confident7 Ų764.9 Ų64.94%0.04233%0.331CS..  trans-89.6114.9173.8-178.60000109.7V212 V214 V253 T254 V255 V447 H450 V454 I462V212-V452 HydrophobicContact CG1-CG1 4.13Å; V214-V452 HydrophobicContact CG2-CG2 4.24Å; V253-V452 HydrophobicContact CG1-CG1 4.3Å; T254-V452 CarbonylContact O-C 3.55Å; T254-V452 WeakPolarHBondContact O-CA 3.47Å; V255-V452 HydrophobicContact CG2-CG1 4.43Å; V255-V452 HydrophobicContact CG2-CG2 4.39Å; V447-V452 HydrophobicContact CG1-CG2 3.71Å; H450-V452 VanDerWaalsContact C-N 3.3Å; V452-V454 HydrophobicContact CG1-CG2 4.21Å; V452-I462 HydrophobicContact CB-CD1 4.12Å; V452-I462 HydrophobicContact CB-CG2 3.96Å; V452-I462 HydrophobicContact CG1-CD1 4.27Å; V452-I462 HydrophobicContact CG1-CG1 4.44Å; V452-I462 HydrophobicContact CG1-CG2 4.27Å; V452-I462 HydrophobicContact CG2-CG2 4.09Å; V452-I462 WeakPolarHBondContact O-CD1 3.25Å
453Q91.1Very high87.9Confident92 Ų9265.9 Ų65.943%0.4334%0.338SS..EExtended strand (participates in β ladder)trans-103.9132.6178.2-59.2177.2-13.900109.4V253 T254 Y455V253-Q453 CarbonylContact C-O 3.52Å; V253-Q453 WeakPolarHBondContact CA-O 3.35Å; T254-Q453 PolarHBondContact N-O 3.13Å; T254-Q453 PolarHBondContact O-N 2.92Å; Q453-Y455 HydrophobicContact CB-CE2 4.42Å
454V88.7Confident88.1Confident31 Ų3167.5 Ų67.519%0.18835%0.348CS..EExtended strand (participates in β ladder)trans-128.9120177.9-172.70000109.5V212 V246 V253 V452 S456 P460V212-V454 HydrophobicContact CG2-CG2 3.91Å; V246-V454 HydrophobicContact CG1-CG1 4.21Å; V253-V454 HydrophobicContact CG1-CG2 4.3Å; V253-V454 HydrophobicContact CG2-CG1 4.1Å; V253-V454 HydrophobicContact CG2-CG2 4.31Å; V452-V454 HydrophobicContact CG1-CG2 4.21Å; V454-S456 WeakPolarHBondContact CG1-OG 3.3Å; V454-S456 PolarHBondContact O-N 3.37Å; V454-P460 HydrophobicContact CB-CG 3.66Å; V454-P460 HydrophobicContact CG1-CG 3.86Å; V454-P460 HydrophobicContact CG2-CG 3.66Å
455Y83.5Confident88.4Confident147 Ų14769.6 Ų69.658%0.57636%0.359SS*.EExtended strand (participates in β ladder)trans-95.187.3174-60.7-83.9000108.9P251 N252 Q453P251-Y455 WeakPolarHBondContact CA-O 3.14Å; N252-Y455 HydrophobicContact CB-CD2 4.09Å; N252-Y455 WeakPolarHBondContact O-CD2 3.42Å; N252-Y455 PolarHBondContact O-N 3.37Å; Q453-Y455 HydrophobicContact CB-CE2 4.42Å
456S75.3Confident88.6Confident37 Ų3774.3 Ų74.326%0.25938%0.377SS..SBendtrans-137.1165.3177.853.20000111.7V454 A458V454-S456 WeakPolarHBondContact CG1-OG 3.3Å; V454-S456 PolarHBondContact O-N 3.37Å; S456-A458 VanDerWaalsContact C-N 3.28Å; S456-A458 PolarHBondContact O-N 3.45Å; S456-A458 PolarHBondContact OG-O 3.25Å
457S69.4Low88.8Confident108 Ų10874.6 Ų74.676%0.75538%0.375SS*.SBendtrans-66.3-27.1178.250.10000113.5
458A74.4Confident88.9Confident45 Ų4573.8 Ų73.837%0.37237%0.37SS..SBendtrans-115.6149.8174.900000110.9S456 P460S456-A458 VanDerWaalsContact C-N 3.28Å; S456-A458 PolarHBondContact O-N 3.45Å; S456-A458 PolarHBondContact OG-O 3.25Å; A458-P460 VanDerWaalsContact O-CD 3.28Å; A458-P460 WeakPolarHBondContact O-CD 3.4Å
459K82.5Confident89.3Confident206 Ų20671.5 Ų71.590%0.89636%0.358SS*.  trans-76.9113.5173.9-173176.3-178.4178.10109.5
460P87.2Confident89.4Confident14 Ų1467.8 Ų67.89%0.09134%0.342CS..PPolyproline II helixtrans-76.3154.6-17931.1-34.2000112A210 V212 V246 V454 A458A210-P460 HydrophobicContact CB-CB 3.87Å; A210-P460 CarbonylContact O-C 3.54Å; A210-P460 VanDerWaalsContact O-CA 3.25Å; A210-P460 WeakPolarHBondContact O-CA 3.23Å; V212-P460 HydrophobicContact CG2-CB 4.27Å; V212-P460 HydrophobicContact CG2-CG 4.37Å; V246-P460 HydrophobicContact CG1-CB 4.12Å; V454-P460 HydrophobicContact CB-CG 3.66Å; V454-P460 HydrophobicContact CG1-CG 3.86Å; V454-P460 HydrophobicContact CG2-CG 3.66Å; A458-P460 VanDerWaalsContact O-CD 3.28Å; A458-P460 WeakPolarHBondContact O-CD 3.4Å
461R92Very high89.4Confident183 Ų18362.1 Ų62.169%0.69132%0.321SS*.EExtended strand (participates in β ladder)trans-74.2125.6162.9-179.5-178178.2-173.7-0.4108.6A210 V211 V212 V463A210-R461 PolarHBondContact O-N 2.97Å; V211-R461 CarbonylContact C-O 3.5Å; V211-R461 VanDerWaalsContact CA-O 3.31Å; V211-R461 WeakPolarHBondContact CA-O 3.38Å; V211-R461 HydrophobicContact CG2-CB 4.37Å; V212-R461 PolarHBondContact N-O 2.75Å; R461-V463 HydrophobicContact CG-CG2 4.25Å
462I94.3Very high89.3Confident37 Ų3762.8 Ų62.819%0.1932%0.322CS..EExtended strand (participates in β ladder)trans-101.5128.9177.2-60.1162.9000108.2V212 Q449 V452 T464V212-I462 CarbonylContact O-C 3.47Å; V212-I462 WeakPolarHBondContact O-CA 3.16Å; Q449-I462 HydrophobicContact CB-CG2 4.14Å; Q449-I462 HydrophobicContact CG-CG2 4.27Å; Q449-I462 WeakPolarHBondContact O-CD1 3.14Å; V452-I462 HydrophobicContact CB-CD1 4.12Å; V452-I462 HydrophobicContact CB-CG2 3.96Å; V452-I462 HydrophobicContact CG1-CD1 4.27Å; V452-I462 HydrophobicContact CG1-CG1 4.44Å; V452-I462 HydrophobicContact CG1-CG2 4.27Å; V452-I462 HydrophobicContact CG2-CG2 4.09Å; V452-I462 WeakPolarHBondContact O-CD1 3.25Å; I462-T464 HydrophobicContact CG2-CG2 4.21Å
463V95.3Very high89.4Confident47 Ų4762.4 Ų62.429%0.28532%0.319SS..EExtended strand (participates in β ladder)trans-124.1123.5175.8-177.10000107.3V212 N213 V214 R461V212-V463 PolarHBondContact O-N 2.97Å; N213-V463 CarbonylContact C-O 3.55Å; N213-V463 WeakPolarHBondContact CA-O 3.37Å; N213-V463 WeakPolarHBondContact OD1-CB 3.32Å; V214-V463 PolarHBondContact N-O 2.72Å; R461-V463 HydrophobicContact CG-CG2 4.25Å
464T96.3Very high89.4Confident37 Ų3759.1 Ų59.123%0.22730%0.304CS..EExtended strand (participates in β ladder)trans-117140.4174.260.50000109.5V214 V447 Q449 I462V214-T464 HydrophobicContact CB-CG2 4.32Å; V214-T464 CarbonylContact O-C 3.57Å; V214-T464 VanDerWaalsContact O-CA 3.25Å; V214-T464 WeakPolarHBondContact O-CA 3.25Å; V447-T464 HydrophobicContact CB-CG2 4.3Å; V447-T464 HydrophobicContact CG1-CG2 4.02Å; V447-T464 WeakPolarHBondContact O-CB 3.46Å; V447-T464 WeakPolarHBondContact O-CG2 3.32Å; V447-T464 PolarHBondContact O-OG1 2.86Å; Q449-T464 HydrophobicContact CG-CG2 4.04Å; I462-T464 HydrophobicContact CG2-CG2 4.21Å
465S96.1Very high89.6Confident66 Ų6657.7 Ų57.746%0.46230%0.295SS..EExtended strand (participates in β ladder)trans-137.4153173.662.20000109.9V214 A215 L216V214-S465 PolarHBondContact O-N 2.87Å; A215-S465 WeakPolarHBondContact CA-O 2.99Å; A215-S465 WeakPolarHBondContact CB-OG 3.4Å; L216-S465 PolarHBondContact N-O 2.77Å
466R95.9Very high89.9Confident100 Ų10051 Ų5138%0.37727%0.269SS..EExtended strand (participates in β ladder)trans-142.2151.9172.668.3-177.2178.5-168.3-2.9112.1L216 D439 T441L216-R466 HydrophobicContact CB-CB 4.16Å; L216-R466 HydrophobicContact CD2-CB 4.49Å; L216-R466 CarbonylContact O-C 3.58Å; L216-R466 WeakPolarHBondContact O-CA 3.43Å; D439-R466 VanDerWaalsContact CA-O 3.32Å; D439-R466 WeakPolarHBondContact CA-O 3.3Å; D439-R466 PolarHBondContact N-O 2.86Å; D439-R466 PolarHBondContact O-NE 2.97Å; D439-R466 PolarHBondContact O-NH2 2.84Å; D439-R466 VanDerWaalsContact O-NH2 3.16Å; T441-R466 HydrophobicContact CG2-CB 4.06Å; T441-R466 HydrophobicContact CG2-CG 4.49Å
467E96.4Very high90.6Very high37 Ų3749.5 Ų49.517%0.17326%0.258CS..EExtended strand (participates in β ladder)trans-155.1156.4176.667-173.1164.400112.1L216 T217 E218 R436 V437 L440 L469L216-E467 PolarHBondContact O-N 2.98Å; T217-E467 HydrophobicContact CG2-CG 3.93Å; T217-E467 PolarHBondContact OG1-OE1 2.93Å; T217-E467 VanDerWaalsContact OG1-OE1 3.05Å; E218-E467 PolarHBondContact N-O 3.45Å; R436-E467 IonicContact CZ-OE2 2.74Å; R436-E467 IonicContact NE-OE2 3.18Å; R436-E467 PolarHBondContact NE-OE2 3.46Å; R436-E467 IonicContact NH2-OE2 3.56Å; R436-E467 PolarHBondContact NH2-OE2 2.82Å; V437-E467 WeakPolarHBondContact O-CA 3.29Å; L440-E467 CarbonylContact O-C 3.54Å; L440-E467 WeakPolarHBondContact O-CA 3.12Å; E467-L469 HydrophobicContact CG-CG 4.4Å
468L96.9Very high91.3Very high0 Ų045.4 Ų45.40%023%0.229CC..EExtended strand (participates in β ladder)trans-114.2129.5172.5177.268.5000109.2E218 V220 P324 F435 R436 V437 L440 L442E218-L468 HydrophobicContact CB-CD1 3.99Å; E218-L468 CarbonylContact O-C 3.6Å; E218-L468 WeakPolarHBondContact O-CA 3.49Å; V220-L468 HydrophobicContact CB-CD1 4.33Å; V220-L468 HydrophobicContact CG1-CD1 4.17Å; P324-L468 HydrophobicContact CG-CD2 3.93Å; F435-L468 HydrophobicContact CE2-CD2 4.32Å; F435-L468 HydrophobicContact CE2-CG 4.32Å; R436-L468 WeakPolarHBondContact CA-O 3.43Å; V437-L468 HydrophobicContact CB-CB 4.29Å; V437-L468 PolarHBondContact N-O 3.2Å; V437-L468 PolarHBondContact O-N 2.94Å; L440-L468 HydrophobicContact CD2-CD2 3.9Å; L440-L468 PolarHBondContact O-N 2.81Å; L442-L468 HydrophobicContact CB-CD1 4.09Å; L442-L468 HydrophobicContact CB-CD2 4.4Å; L442-L468 HydrophobicContact CD1-CD2 4.31Å
469L96.8Very high91.4Very high27 Ų2746.8 Ų46.814%0.14123%0.233CC..EExtended strand (participates in β ladder)trans-122.5143179.1-59.1177.5000110.2T217 E218 M219 V220 R436 E467T217-L469 HydrophobicContact CG2-CD1 3.52Å; T217-L469 HydrophobicContact CG2-CG 4.06Å; E218-L469 PolarHBondContact O-N 2.83Å; M219-L469 CarbonylContact C-O 3.55Å; M219-L469 VanDerWaalsContact CA-O 3.27Å; M219-L469 WeakPolarHBondContact CA-O 3.43Å; M219-L469 HydrophobicContact CE-CD1 4.23Å; M219-L469 HydrophobicContact CG-CB 4.31Å; V220-L469 WeakPolarHBondContact CG1-O 3.35Å; V220-L469 PolarHBondContact N-O 3.03Å; R436-L469 HydrophobicContact CB-CD2 3.65Å; R436-L469 HydrophobicContact CG-CD2 3.45Å; R436-L469 VanDerWaalsContact CG-CD2 3.45Å; E467-L469 HydrophobicContact CG-CG 4.4Å
470S94.5Very high91Very high18 Ų1838.3 Ų38.313%0.12620%0.204CC..EExtended strand (participates in β ladder)trans-72.9141.5162.758.70000110.6L433 Y434 F435L433-S470 WeakPolarHBondContact O-CB 3.46Å; L433-S470 PolarHBondContact O-OG 2.83Å; Y434-S470 VanDerWaalsContact CA-OG 3.29Å; Y434-S470 WeakPolarHBondContact CA-OG 2.86Å; F435-S470 PolarHBondContact N-OG 2.88Å; F435-S470 PolarHBondContact O-N 2.86Å; F435-S470 PolarHBondContact O-OG 3.01Å
471S89.6Confident90.1Very high44 Ų4440.9 Ų40.931%0.30822%0.22SC..EExtended strand (participates in β ladder)trans-116.6-97.5167.2179.20000110.1V220 Y473V220-S471 PolarHBondContact O-N 3.04Å; S471-Y473 PolarHBondContact O-N 3.22Å
472E87.9Confident88.9Confident35 Ų3532.7 Ų32.716%0.16419%0.191CC..EExtended strand (participates in β ladder)trans-9175.1176.4-67.1-177.4145.600109.9Q77 R221 S222 F474Q77-E472 VanDerWaalsContact CD-OE1 3.23Å; Q77-E472 PolarHBondContact NE2-OE1 2.76Å; Q77-E472 PolarHBondContact OE1-OE1 2.85Å; R221-E472 CarbonylContact C-O 3.51Å; R221-E472 WeakPolarHBondContact CA-O 3.26Å; R221-E472 HydrophobicContact CB-CB 4.17Å; R221-E472 WeakPolarHBondContact CD-OE2 3.49Å; R221-E472 HydrophobicContact CG-CB 4Å; R221-E472 IonicContact NH1-OE2 3.8Å; S222-E472 PolarHBondContact N-O 2.78Å; S222-E472 VanDerWaalsContact O-O 3.08Å; E472-F474 HydrophobicContact CB-CD2 4.21Å; E472-F474 HydrophobicContact CB-CE2 3.78Å; E472-F474 HydrophobicContact CG-CE2 4.25Å
473Y92.9Very high87.6Confident0 Ų032.4 Ų32.40%019%0.192CC..EExtended strand (participates in β ladder)trans-107.993.4-175.8-152.4-70.6000111.2V220 S222 Q224 P323 I325 K432 L433 F435 S471V220-Y473 HydrophobicContact CG1-CD2 3.95Å; V220-Y473 HydrophobicContact CG1-CE2 4.05Å; V220-Y473 HydrophobicContact CG2-CD2 4.21Å; V220-Y473 HydrophobicContact CG2-CE2 3.94Å; S222-Y473 VanDerWaalsContact CB-CE2 3.43Å; S222-Y473 CarbonylContact O-C 3.45Å; Q224-Y473 PolarHBondContact NE2-OH 3.37Å; P323-Y473 HydrophobicContact CB-CE2 4.42Å; P323-Y473 WeakPolarHBondContact CB-OH 3.36Å; I325-Y473 VanDerWaalsContact C-OH 3.3Å; I325-Y473 WeakPolarHBondContact CA-OH 3.44Å; I325-Y473 PolarHBondContact N-OH 2.89Å; I325-Y473 PolarHBondContact O-OH 2.83Å; K432-Y473 CarbonylContact C-O 3.55Å; K432-Y473 WeakPolarHBondContact CA-O 3.31Å; L433-Y473 HydrophobicContact CB-CD1 3.78Å; L433-Y473 HydrophobicContact CB-CG 4.18Å; L433-Y473 HydrophobicContact CD1-CD1 3.67Å; L433-Y473 HydrophobicContact CD1-CE1 3.61Å; L433-Y473 HydrophobicContact CG-CD1 4.02Å; L433-Y473 HydrophobicContact CG-CE1 4.46Å; L433-Y473 PolarHBondContact N-O 3.14Å; F435-Y473 AromaticContact CE1-CD2 3.93Å; F435-Y473 HydrophobicContact CE1-CD2 3.93Å; F435-Y473 HydrophobicContact CE1-CE2 4.05Å; F435-Y473 HydrophobicContact CE1-CG 4.19Å; F435-Y473 HydrophobicContact CZ-CD2 4.09Å; F435-Y473 HydrophobicContact CZ-CE2 4.04Å; S471-Y473 PolarHBondContact O-N 3.22Å
474F92Very high85.9Confident23 Ų2336.1 Ų36.110%0.10121%0.214CC..EExtended strand (participates in β ladder)trans-112.3135.6-173.5-62.9-80.7000112.3S222 M223 Q224 Y430 I431 K432 E472 W476S222-F474 PolarHBondContact O-N 3.11Å; M223-F474 HydrophobicContact CE-CD2 3.5Å; M223-F474 HydrophobicContact CE-CE2 3.92Å; M223-F474 HydrophobicContact SD-CB 3.81Å; M223-F474 HydrophobicContact SD-CD2 3.55Å; M223-F474 VanDerWaalsContact SD-CD2 3.55Å; M223-F474 HydrophobicContact SD-CE2 4.49Å; M223-F474 HydrophobicContact SD-CG 4.06Å; Q224-F474 PolarHBondContact N-O 2.89Å; Y430-F474 AromaticContact CD2-CD1 3.5Å; Y430-F474 HydrophobicContact CD2-CD1 3.5Å; Y430-F474 AromaticContact CD2-CE1 3.78Å; Y430-F474 HydrophobicContact CD2-CE1 3.78Å; Y430-F474 AromaticContact CE2-CD1 3.89Å; Y430-F474 HydrophobicContact CE2-CD1 3.89Å; Y430-F474 AromaticContact CE2-CE1 3.64Å; Y430-F474 HydrophobicContact CE2-CE1 3.64Å; Y430-F474 AromaticContact CG-CD1 3.92Å; Y430-F474 HydrophobicContact CG-CD1 3.92Å; Y430-F474 HydrophobicContact CG-CE1 4.35Å; I431-F474 CarbonylContact O-C 3.57Å; I431-F474 WeakPolarHBondContact O-CA 3.03Å; K432-F474 HydrophobicContact CB-CD1 4.19Å; K432-F474 HydrophobicContact CB-CE1 4.14Å; K432-F474 HydrophobicContact CD-CD1 4.46Å; K432-F474 HydrophobicContact CD-CE1 3.71Å; K432-F474 HydrophobicContact CD-CZ 3.96Å; K432-F474 HydrophobicContact CG-CD1 4.33Å; K432-F474 HydrophobicContact CG-CE1 4.06Å; E472-F474 HydrophobicContact CB-CD2 4.21Å; E472-F474 HydrophobicContact CB-CE2 3.78Å; E472-F474 HydrophobicContact CG-CE2 4.25Å; F474-W476 HydrophobicContact CB-CZ2 4.43Å; F474-W476 HydrophobicContact CG-CZ2 4.48Å
475I93.1Very high83.9Confident1 Ų136 Ų361%0.00522%0.215CC..EExtended strand (participates in β ladder)trans-116.8108.8167.7-57.7154.4000106.8Q224 L344 Y430 I431 L433Q224-I475 HydrophobicContact CB-CG1 4.28Å; Q224-I475 CarbonylContact O-C 3.58Å; L344-I475 HydrophobicContact CD2-CD1 3.4Å; Y430-I475 CarbonylContact C-O 3.59Å; Y430-I475 WeakPolarHBondContact CA-O 3.49Å; I431-I475 HydrophobicContact CB-CB 4.27Å; I431-I475 PolarHBondContact N-O 2.95Å; I431-I475 PolarHBondContact O-N 3.35Å; L433-I475 HydrophobicContact CD1-CD1 3.76Å; L433-I475 HydrophobicContact CG-CD1 4.08Å
476W89.9Confident81.3Confident7 Ų736.8 Ų36.83%0.02722%0.22CC..EExtended strand (participates in β ladder)trans-80.9150-177.6-6697.5000111.4C73 Q224 Y225 L427 Y430 F474 S478 A482 P483C73-W476 HydrophobicContact CB-CH2 4.25Å; Q224-W476 PolarHBondContact O-N 2.95Å; Y225-W476 HydrophobicContact CD1-CB 4.11Å; Y225-W476 AromaticContact CD1-CD1 3.71Å; Y225-W476 HydrophobicContact CD1-CG 4.02Å; Y225-W476 AromaticContact CE1-CD1 3.62Å; Y225-W476 HydrophobicContact CE1-CG 4.19Å; L427-W476 HydrophobicContact CB-CH2 4.06Å; L427-W476 HydrophobicContact CB-CZ3 4.07Å; L427-W476 HydrophobicContact CD2-CH2 4.38Å; L427-W476 HydrophobicContact CD2-CZ3 4.14Å; L427-W476 WeakPolarHBondContact O-CZ3 3.41Å; Y430-W476 AromaticContact CD1-CH2 3.86Å; Y430-W476 HydrophobicContact CD1-CH2 3.86Å; Y430-W476 AromaticContact CD1-CZ3 3.77Å; Y430-W476 HydrophobicContact CD1-CZ3 3.77Å; Y430-W476 HydrophobicContact CG-CH2 4.32Å; Y430-W476 HydrophobicContact CG-CZ3 4.21Å; F474-W476 HydrophobicContact CB-CZ2 4.43Å; F474-W476 HydrophobicContact CG-CZ2 4.48Å; W476-S478 PolarHBondContact O-N 3.48Å; W476-A482 HydrophobicContact CB-CB 3.86Å; W476-A482 HydrophobicContact CD2-CB 3.94Å; W476-A482 HydrophobicContact CE3-CB 4.14Å; W476-A482 HydrophobicContact CG-CB 3.8Å; W476-P483 HydrophobicContact CD2-CG 4.39Å; W476-P483 HydrophobicContact CH2-CG 3.56Å; W476-P483 VanDerWaalsContact CZ2-CD 3.41Å; W476-P483 HydrophobicContact CZ2-CG 3.23Å; W476-P483 HydrophobicContact CZ3-CG 4.25Å
477N88.3Confident78.5Confident4 Ų435.4 Ų35.42%0.02124%0.238CC..BIsolated β-bridgetrans-63.6118.4173.6173.925.8000110.6Y329 Q330 L331 A429 T479 G480Y329-N477 HydrophobicContact CD1-CB 3.82Å; Y329-N477 HydrophobicContact CE1-CB 3.97Å; Y329-N477 WeakPolarHBondContact O-CA 3.33Å; Y329-N477 PolarHBondContact O-OD1 3.41Å; Q330-N477 WeakPolarHBondContact CA-OD1 3.31Å; L331-N477 PolarHBondContact N-OD1 2.96Å; A429-N477 HydrophobicContact CB-CB 3.6Å; A429-N477 WeakPolarHBondContact O-CB 3.17Å; A429-N477 PolarHBondContact O-N 2.88Å; N477-T479 VanDerWaalsContact CG-OG1 3.31Å; N477-T479 PolarHBondContact ND2-OG1 2.68Å; N477-T479 PolarHBondContact O-N 3.35Å; N477-T479 PolarHBondContact OD1-N 2.98Å; N477-T479 VanDerWaalsContact OD1-N 3.16Å; N477-T479 PolarHBondContact OD1-OG1 3.28Å; N477-G480 PolarHBondContact ND2-N 3.46Å; N477-G480 PolarHBondContact O-N 3.21Å; N477-G480 VanDerWaalsContact O-N 3.13Å
478S85.1Confident75.9Confident23 Ų2340.4 Ų40.416%0.16126%0.261CS..THydrogen-bonded Turntrans-69.3-15.5-176.8690000113.8Y225 G226 Y329 Q330 W476Y225-S478 WeakPolarHBondContact O-CA 3.35Å; Y225-S478 WeakPolarHBondContact O-CB 3.44Å; G226-S478 WeakPolarHBondContact O-CB 3.5Å; Y329-S478 PolarHBondContact O-N 3.29Å; Y329-S478 PolarHBondContact O-OG 2.9Å; Q330-S478 VanDerWaalsContact CG-OG 3.26Å; Q330-S478 WeakPolarHBondContact CG-OG 3.14Å; Q330-S478 PolarHBondContact NE2-OG 3.42Å; W476-S478 PolarHBondContact O-N 3.48Å
479T77.6Confident73.1Confident73 Ų7341.9 Ų41.945%0.44827%0.268SS..THydrogen-bonded Turntrans-93-8.4176.763.60000113.2Q330 L331 N477Q330-T479 HydrophobicContact CG-CG2 4.42Å; L331-T479 PolarHBondContact O-OG1 3.44Å; N477-T479 VanDerWaalsContact CG-OG1 3.31Å; N477-T479 PolarHBondContact ND2-OG1 2.68Å; N477-T479 PolarHBondContact O-N 3.35Å; N477-T479 PolarHBondContact OD1-N 2.98Å; N477-T479 VanDerWaalsContact OD1-N 3.16Å; N477-T479 PolarHBondContact OD1-OG1 3.28Å
480G73.5Confident69.8Low28 Ų2844.6 Ų44.629%0.28928%0.281SS..SBendtrans-108.9178.1-175.800000114N477N477-G480 PolarHBondContact ND2-N 3.46Å; N477-G480 PolarHBondContact O-N 3.21Å; N477-G480 VanDerWaalsContact O-N 3.13Å
481T68.1Low66.8Low69 Ų6953.4 Ų53.442%0.42333%0.326SS..  trans-71.6149.1164.244.60000110.1D426D426-T481 VanDerWaalsContact CA-OG1 3.24Å; D426-T481 WeakPolarHBondContact CA-OG1 3.49Å; D426-T481 PolarHBondContact N-OG1 2.83Å; D426-T481 VanDerWaalsContact O-O 3.12Å
482A66.9Low65.6Low11 Ų1153.9 Ų53.99%0.09133%0.326CS..  trans-141.7160.8176.900000109.5Y225 R230 W476Y225-A482 HydrophobicContact CD1-CB 3.54Å; Y225-A482 HydrophobicContact CE1-CB 3.72Å; R230-A482 PolarHBondContact NH1-O 3.11Å; W476-A482 HydrophobicContact CB-CB 3.86Å; W476-A482 HydrophobicContact CD2-CB 3.94Å; W476-A482 HydrophobicContact CE3-CB 4.14Å; W476-A482 HydrophobicContact CG-CB 3.8Å
483P66.3Low64.4Low30 Ų3054.9 Ų54.920%0.19534%0.335CS..  trans-66.8146.4-174.42.311000108.6Y225 L427 W476 S485Y225-P483 PolarHBondContact OH-O 2.98Å; L427-P483 HydrophobicContact CD1-CB 3.56Å; L427-P483 HydrophobicContact CD1-CG 3.66Å; L427-P483 HydrophobicContact CD2-CB 3.98Å; L427-P483 HydrophobicContact CD2-CG 3.6Å; L427-P483 HydrophobicContact CG-CB 4.47Å; L427-P483 HydrophobicContact CG-CG 4.21Å; W476-P483 HydrophobicContact CD2-CG 4.39Å; W476-P483 HydrophobicContact CH2-CG 3.56Å; W476-P483 VanDerWaalsContact CZ2-CD 3.41Å; W476-P483 HydrophobicContact CZ2-CG 3.23Å; W476-P483 HydrophobicContact CZ3-CG 4.25Å; P483-S485 PolarHBondContact O-N 2.67Å
484V59.9Low62.9Low125 Ų12557.9 Ų57.976%0.75835%0.354SS*.  trans-88.2101.6166.8-173.60000106.2S486V484-S486 PolarHBondContact O-N 3.45Å; V484-S486 VanDerWaalsContact O-N 3.13Å
485S53.3Low61.1Low34 Ų3460 Ų6024%0.23837%0.368CS..  trans-63.3115.1162.7-175.60000106.8P483 G487 M489P483-S485 PolarHBondContact O-N 2.67Å; S485-G487 PolarHBondContact O-N 2.95Å; S485-M489 VanDerWaalsContact OG-CG 3.24Å; S485-M489 WeakPolarHBondContact OG-CG 3.42Å
486S43.3Very low59.2Low83 Ų8363.7 Ų63.758%0.5839%0.391SS*.  trans-51.9133.3160.941.30000106.8V484 H488V484-S486 PolarHBondContact O-N 3.45Å; V484-S486 VanDerWaalsContact O-N 3.13Å; S486-H488 CarbonylContact O-C 3.59Å; S486-H488 VanDerWaalsContact O-C 3.24Å; S486-H488 PolarHBondContact O-N 3Å
487G37.3Very low57.1Low72 Ų7267.5 Ų67.574%0.74242%0.416SS*.SBendtrans-586.3-167.500000117.1S485S485-G487 PolarHBondContact O-N 2.95Å
488H40.1Very low54.9Low142 Ų14272 Ų7266%0.65744%0.444SS*.  trans-111.8100.6161.4-70.188.4000108.3S486 M490S486-H488 CarbonylContact O-C 3.59Å; S486-H488 VanDerWaalsContact O-C 3.24Å; S486-H488 PolarHBondContact O-N 3Å; H488-M490 HydrophobicContact CB-CB 4.3Å; H488-M490 PolarHBondContact O-N 3.1Å
489M38.2Very low52.5Low30 Ų3075.8 Ų75.815%0.14847%0.465CS..  trans-68.825.5158.7-71.6-175.26900111.4R221 M223 L233 S485R221-M489 HydrophobicContact CB-CE 3.94Å; R221-M489 PolarHBondContact NH1-O 3.12Å; R221-M489 VanDerWaalsContact NH1-O 3.15Å; R221-M489 PolarHBondContact NH2-O 3.16Å; M223-M489 HydrophobicContact CE-CE 3.95Å; M223-M489 HydrophobicContact CG-CE 4.08Å; M223-M489 HydrophobicContact CG-SD 4.09Å; L233-M489 HydrophobicContact CB-SD 4.18Å; S485-M489 VanDerWaalsContact OG-CG 3.24Å; S485-M489 WeakPolarHBondContact OG-CG 3.42Å
490M29.1Very low50.5Low85 Ų8576 Ų7642%0.41947%0.467SS..  trans-104.796.2-177.7-70.6-172.4174.700110D268 H488D268-M490 WeakPolarHBondContact OD2-CE 3.42Å; H488-M490 HydrophobicContact CB-CB 4.3Å; H488-M490 PolarHBondContact O-N 3.1Å
491L29.7Very low48.4Very low203 Ų20380.4 Ų80.4100%1.06348%0.483SS*.  -177.10127.2-100156.4000110.3A124A124-L491 HydrophobicContact CB-CD1 4.1Å

Retrieved 491 of 491 residues in 428.3 ms (Link to these results)

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