A0A3Q0KPM1_SCHMA Loading...

Protein-tyrosine-phosphatase

AlphaFold DB (A0A3Q0KPQ9), UniProt , Accession A0A3Q0KPM1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 377 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
1M36.7Very low37.3Very low241 Ų241144.9 Ų144.9100%1.18775%0.75SS**  0117.10-75.2177171.300106.7S3M1-S3 PolarHBondContact O-N 3.25Å
2N33.7Very low39.8Very low159 Ų159139.4 Ų139.485%0.8573%0.734SS**  trans-59.5119.3-175.5-70.1-10000109.8R4N2-R4 PolarHBondContact O-N 2.95Å
3S34.5Very low42.3Very low109 Ų109137.8 Ų137.876%0.76272%0.72SS**  trans-63.4101.7169.7530000107.8M1 T5M1-S3 PolarHBondContact O-N 3.25Å; S3-T5 VanDerWaalsContact C-N 3.26Å; S3-T5 PolarHBondContact O-N 2.9Å
4R29.3Very low44.4Very low240 Ų240134.9 Ų134.991%0.90671%0.705SS**  trans-73.689.7165-76.4-177.2174.6-177.7-1.7106.5N2 S6N2-R4 PolarHBondContact O-N 2.95Å; R4-S6 PolarHBondContact O-N 3.34Å; R4-S6 VanDerWaalsContact O-N 3.08Å
5T32.2Very low46.2Very low107 Ų107130.5 Ų130.566%0.65668%0.681SS**  trans-60.8108.1159.411.70000106.5S3 Y7S3-T5 VanDerWaalsContact C-N 3.26Å; S3-T5 PolarHBondContact O-N 2.9Å; T5-Y7 PolarHBondContact O-N 3.19Å
6S27.3Very low47.3Very low106 Ų106127.9 Ų127.974%0.74167%0.668SS**  trans-68.397.8174.853.20000108.2R4 I8R4-S6 PolarHBondContact O-N 3.34Å; R4-S6 VanDerWaalsContact O-N 3.08Å; S6-I8 PolarHBondContact O-N 3.05Å; S6-I8 VanDerWaalsContact O-N 3.1Å
7Y34.1Very low48.5Very low208 Ų208124.7 Ų124.782%0.81666%0.659SS**  trans-71.998.8165.5-80.8-90.9000107.4T5 P9T5-Y7 PolarHBondContact O-N 3.19Å; Y7-P9 WeakPolarHBondContact O-CD 3.48Å
8I34.4Very low49.2Very low103 Ų103120.7 Ų120.753%0.52864%0.64SS.*  trans-68.4119.2158.7-58.9176000105S6 V10S6-I8 PolarHBondContact O-N 3.05Å; S6-I8 VanDerWaalsContact O-N 3.1Å; I8-V10 PolarHBondContact O-N 3.48Å
9P35.3Very low49.6Very low119 Ų119122.1 Ų122.177%0.77365%0.648SS**  trans-65.5109.6177-11.325.8000107.8Y7 E11Y7-P9 WeakPolarHBondContact O-CD 3.48Å; P9-E11 PolarHBondContact O-N 3.34Å
10V54.2Low49.8Very low64 Ų64117.4 Ų117.439%0.38862%0.624SS.*  trans-82.7106.5169.5-1790000106.2I8 S12 R26I8-V10 PolarHBondContact O-N 3.48Å; V10-S12 PolarHBondContact O-N 3.27Å; V10-R26 HydrophobicContact CG1-CB 3.57Å; V10-R26 HydrophobicContact CG1-CG 3.78Å
11E58.7Low50.4Low138 Ų138112.2 Ų112.265%0.64560%0.596SS**  trans-57.7124.8168.5-86.5-172.3170.100108.2P9 M27P9-E11 PolarHBondContact O-N 3.34Å; E11-M27 HydrophobicContact CB-CE 4Å; E11-M27 PolarHBondContact O-N 3.12Å; E11-M27 WeakPolarHBondContact OE2-CE 3.32Å
12S67.7Low51.7Low79 Ų79106 Ų10655%0.55256%0.56SS**EExtended strand (participates in β ladder)trans-126.3127.6-176.138.20000109.9V10 V24 R25V10-S12 PolarHBondContact O-N 3.27Å; S12-V24 VanDerWaalsContact CB-CG1 3.49Å; S12-R25 CarbonylContact C-O 3.59Å; S12-R25 VanDerWaalsContact CA-O 3.25Å; S12-R25 WeakPolarHBondContact CA-O 3.36Å
13E72.1Confident53.2Low118 Ų11898.9 Ų98.955%0.55152%0.522SS*.EExtended strand (participates in β ladder)trans-112.8124.4177.6-179.5-173.1-174.300108.6I15 V24 R25E13-I15 PolarHBondContact O-N 3.18Å; E13-V24 CarbonylContact O-C 3.56Å; E13-V24 VanDerWaalsContact O-CA 3.29Å; E13-V24 WeakPolarHBondContact O-CA 3.45Å; E13-R25 HydrophobicContact CB-CB 4.31Å; E13-R25 PolarHBondContact N-O 2.96Å; E13-R25 PolarHBondContact O-N 2.98Å
14L71.1Confident54.6Low97 Ų9794.3 Ų94.351%0.50849%0.489SS..EExtended strand (participates in β ladder)trans-74.5107.9172.1-179.768.7000109L16 W22 V24L14-L16 WeakPolarHBondContact CD1-O 3.38Å; L14-W22 HydrophobicContact CD1-CB 3.65Å; L14-W22 HydrophobicContact CD1-CG 4.04Å; L14-V24 HydrophobicContact CD1-CG2 4.07Å
15I71.3Confident56.6Low69 Ų6987 Ų8735%0.35446%0.462SS..EExtended strand (participates in β ladder)trans-80.9-43.3179.8-52.3168.9000110.9E13 V23 R25 D64E13-I15 PolarHBondContact O-N 3.18Å; I15-V23 HydrophobicContact CB-CB 4.26Å; I15-V23 HydrophobicContact CB-CG1 4.29Å; I15-V23 WeakPolarHBondContact CB-O 3.42Å; I15-V23 HydrophobicContact CD1-CG1 3.77Å; I15-V23 PolarHBondContact N-O 3.32Å; I15-R25 HydrophobicContact CD1-CB 3.54Å; I15-R25 HydrophobicContact CG1-CB 3.71Å; I15-D64 HydrophobicContact CD1-CB 4.13Å; I15-D64 WeakPolarHBondContact CD1-OD1 3.29Å
16L64.6Low58Low90 Ų9084.4 Ų84.447%0.47144%0.44SS..EExtended strand (participates in β ladder)trans-146.5138.1-173.6-179.371.1000109.3L14 T18 W22 V23L14-L16 WeakPolarHBondContact CD1-O 3.38Å; L16-T18 HydrophobicContact CD2-CG2 4.03Å; L16-T18 HydrophobicContact CG-CG2 4.15Å; L16-W22 CarbonylContact O-C 3.5Å; L16-W22 VanDerWaalsContact O-CA 3.3Å; L16-W22 WeakPolarHBondContact O-CA 3.32Å; L16-V23 HydrophobicContact CB-CB 3.93Å; L16-V23 HydrophobicContact CB-CG2 3.81Å; L16-V23 HydrophobicContact CD2-CG2 3.98Å; L16-V23 HydrophobicContact CG-CG2 4.39Å; L16-V23 PolarHBondContact N-O 3.21Å; L16-V23 PolarHBondContact O-N 2.87Å
17S67.9Low59.4Low73 Ų7381.4 Ų81.451%0.5142%0.415SS..EExtended strand (participates in β ladder)trans-124121.8167.6-175.70000108.3
18T60.6Low60.2Low52 Ų5273.9 Ų73.932%0.31939%0.391SS..  trans-109.9173.7166.174.50000108.9L16 T20 M21L16-T18 HydrophobicContact CD2-CG2 4.03Å; L16-T18 HydrophobicContact CG-CG2 4.15Å; T18-T20 PolarHBondContact O-N 3.03Å; T18-T20 VanDerWaalsContact O-N 3.14Å; T18-T20 PolarHBondContact OG1-N 3.49Å; T18-T20 PolarHBondContact OG1-OG1 2.89Å; T18-M21 PolarHBondContact N-O 3.45Å; T18-M21 PolarHBondContact OG1-N 2.93Å; T18-M21 PolarHBondContact OG1-O 3.26Å
19D56.2Low60.9Low148 Ų14871.8 Ų71.879%0.79138%0.383SS*.SBendtrans-58.5-26.8175.5-60-25.8000112.6N69D19-N69 PolarHBondContact O-ND2 3.29Å
20T54.7Low61.5Low27 Ų2770.5 Ų70.517%0.16637%0.37CS..SBendtrans-107.8-18.5-173.359.80000114.1T18 L68 N69 R295T18-T20 PolarHBondContact O-N 3.03Å; T18-T20 VanDerWaalsContact O-N 3.14Å; T18-T20 PolarHBondContact OG1-N 3.49Å; T18-T20 PolarHBondContact OG1-OG1 2.89Å; T20-L68 WeakPolarHBondContact O-CA 3.39Å; T20-N69 PolarHBondContact O-N 3.28Å; T20-R295 HydrophobicContact CG2-CB 4.04Å; T20-R295 HydrophobicContact CG2-CG 4.16Å
21M61.1Low60.9Low10 Ų1073.6 Ų73.65%0.04938%0.384CS..EExtended strand (participates in β ladder)trans-157.2144-164.6-169.5-179.267.600113.6T18 V23 F66 M67 L68 F297T18-M21 PolarHBondContact N-O 3.45Å; T18-M21 PolarHBondContact OG1-N 2.93Å; T18-M21 PolarHBondContact OG1-O 3.26Å; M21-V23 HydrophobicContact CE-CG2 3.95Å; M21-F66 HydrophobicContact CE-CD1 3.47Å; M21-F66 VanDerWaalsContact CE-CD1 3.47Å; M21-F66 HydrophobicContact CE-CE1 3.95Å; M21-F66 HydrophobicContact CG-CB 4.31Å; M21-F66 HydrophobicContact CG-CD1 4.42Å; M21-F66 HydrophobicContact SD-CB 3.78Å; M21-F66 HydrophobicContact SD-CD1 3.43Å; M21-F66 WeakPolarHBondContact SD-CD1 3.27Å; M21-F66 HydrophobicContact SD-CE1 4.41Å; M21-F66 HydrophobicContact SD-CG 4.02Å; M21-M67 CarbonylContact C-O 3.52Å; M21-M67 VanDerWaalsContact CA-O 3.27Å; M21-M67 WeakPolarHBondContact CA-O 3.42Å; M21-M67 WeakPolarHBondContact CG-O 3.26Å; M21-L68 HydrophobicContact CB-CD2 4.35Å; M21-L68 HydrophobicContact CG-CD2 4.35Å; M21-F297 HydrophobicContact CE-CB 3.76Å; M21-F297 HydrophobicContact CE-CG 4.5Å; M21-F297 HydrophobicContact SD-CB 3.71Å
22W64.2Low59.9Low109 Ų10975.1 Ų75.141%0.41339%0.391SS..EExtended strand (participates in β ladder)trans-108132.5167.9-56.5-14.6000108.9L14 L16 V24 F66 M67L14-W22 HydrophobicContact CD1-CB 3.65Å; L14-W22 HydrophobicContact CD1-CG 4.04Å; L16-W22 CarbonylContact O-C 3.5Å; L16-W22 VanDerWaalsContact O-CA 3.3Å; L16-W22 WeakPolarHBondContact O-CA 3.32Å; W22-V24 HydrophobicContact CB-CG2 4.16Å; W22-F66 CarbonylContact O-C 3.47Å; W22-F66 WeakPolarHBondContact O-CA 2.84Å; W22-M67 HydrophobicContact CB-CB 4.43Å; W22-M67 HydrophobicContact CE3-CE 3.94Å; W22-M67 HydrophobicContact CZ3-CE 4.36Å; W22-M67 PolarHBondContact N-O 3.24Å; W22-M67 PolarHBondContact O-N 2.97Å
23V64.8Low58.4Low10 Ų1076.2 Ų76.26%0.06140%0.398CS..EExtended strand (participates in β ladder)trans-99113.9166.2-170.40000106.5I15 L16 M21 D64 V65 F66I15-V23 HydrophobicContact CB-CB 4.26Å; I15-V23 HydrophobicContact CB-CG1 4.29Å; I15-V23 WeakPolarHBondContact CB-O 3.42Å; I15-V23 HydrophobicContact CD1-CG1 3.77Å; I15-V23 PolarHBondContact N-O 3.32Å; L16-V23 HydrophobicContact CB-CB 3.93Å; L16-V23 HydrophobicContact CB-CG2 3.81Å; L16-V23 HydrophobicContact CD2-CG2 3.98Å; L16-V23 HydrophobicContact CG-CG2 4.39Å; L16-V23 PolarHBondContact N-O 3.21Å; L16-V23 PolarHBondContact O-N 2.87Å; M21-V23 HydrophobicContact CE-CG2 3.95Å; V23-D64 HydrophobicContact CG1-CB 4.06Å; V23-V65 CarbonylContact C-O 3.6Å; V23-V65 WeakPolarHBondContact CA-O 3.41Å; V23-F66 HydrophobicContact CB-CD1 4.42Å; V23-F66 HydrophobicContact CB-CE1 4.38Å; V23-F66 HydrophobicContact CG1-CD1 4.31Å; V23-F66 HydrophobicContact CG1-CE1 4.02Å; V23-F66 HydrophobicContact CG1-CZ 4.37Å; V23-F66 HydrophobicContact CG2-CD1 3.56Å; V23-F66 HydrophobicContact CG2-CE1 3.48Å; V23-F66 VanDerWaalsContact CG2-CE1 3.48Å
24V64.6Low56.2Low13 Ų1377.7 Ų77.78%0.07941%0.409CS..EExtended strand (participates in β ladder)trans-114.6114.5-178-178.90000108.5S12 E13 L14 W22 R26 V65 M67S12-V24 VanDerWaalsContact CB-CG1 3.49Å; E13-V24 CarbonylContact O-C 3.56Å; E13-V24 VanDerWaalsContact O-CA 3.29Å; E13-V24 WeakPolarHBondContact O-CA 3.45Å; L14-V24 HydrophobicContact CD1-CG2 4.07Å; W22-V24 HydrophobicContact CB-CG2 4.16Å; V24-R26 HydrophobicContact CG1-CG 4.33Å; V24-R26 PolarHBondContact O-N 3.1Å; V24-V65 PolarHBondContact N-O 3.25Å; V24-V65 WeakPolarHBondContact O-CB 2.92Å; V24-V65 PolarHBondContact O-N 2.98Å; V24-M67 HydrophobicContact CG2-CE 4.27Å
25R71.8Confident54.3Low87 Ų8778.6 Ų78.633%0.32842%0.419SS..EExtended strand (participates in β ladder)trans-73.8122.7169.6-176.2161.1-72166.71.9108.8S12 E13 I15 Y62 T63 D64S12-R25 CarbonylContact C-O 3.59Å; S12-R25 VanDerWaalsContact CA-O 3.25Å; S12-R25 WeakPolarHBondContact CA-O 3.36Å; E13-R25 HydrophobicContact CB-CB 4.31Å; E13-R25 PolarHBondContact N-O 2.96Å; E13-R25 PolarHBondContact O-N 2.98Å; I15-R25 HydrophobicContact CD1-CB 3.54Å; I15-R25 HydrophobicContact CG1-CB 3.71Å; R25-Y62 HydrophobicContact CG-CD1 3.75Å; R25-Y62 HydrophobicContact CG-CG 4.28Å; R25-T63 CarbonylContact C-O 3.51Å; R25-T63 WeakPolarHBondContact CA-O 3.22Å; R25-D64 WeakPolarHBondContact CB-OD1 3.33Å; R25-D64 WeakPolarHBondContact CG-OD1 3.38Å; R25-D64 IonicContact CZ-OD1 3.19Å; R25-D64 IonicContact CZ-OD2 3.45Å; R25-D64 IonicContact NE-OD1 3.1Å; R25-D64 PolarHBondContact NE-OD1 3.46Å; R25-D64 IonicContact NE-OD2 2.75Å; R25-D64 IonicContact NH2-OD1 2.88Å; R25-D64 PolarHBondContact NH2-OD1 3.15Å; R25-D64 IonicContact NH2-OD2 2.68Å; R25-D64 PolarHBondContact NH2-OD2 3Å
26R60.8Low52.3Low53 Ų5383.7 Ų83.720%0.244%0.441CS..EExtended strand (participates in β ladder)trans-108.5133174.3-72.9-169.5-177.9-177.41.7109.7V10 V24 Y62 T63 V65 V239V10-R26 HydrophobicContact CG1-CB 3.57Å; V10-R26 HydrophobicContact CG1-CG 3.78Å; V24-R26 HydrophobicContact CG1-CG 4.33Å; V24-R26 PolarHBondContact O-N 3.1Å; R26-Y62 CarbonylContact O-C 3.6Å; R26-Y62 WeakPolarHBondContact O-CA 3.42Å; R26-T63 PolarHBondContact N-O 3.24Å; R26-T63 PolarHBondContact O-N 3.05Å; R26-V65 HydrophobicContact CB-CG2 4.35Å; R26-V65 HydrophobicContact CG-CG2 3.96Å; R26-V239 PolarHBondContact NH1-O 2.84Å
27M56.6Low50.7Low42 Ų4287.1 Ų87.121%0.20745%0.454CS..EExtended strand (participates in β ladder)trans-80.2115.9167.8-96.8-170.3-90.700110E11 F60 Y62E11-M27 HydrophobicContact CB-CE 4Å; E11-M27 PolarHBondContact O-N 3.12Å; E11-M27 WeakPolarHBondContact OE2-CE 3.32Å; M27-F60 HydrophobicContact CG-CB 4.22Å; M27-F60 HydrophobicContact SD-CB 3.97Å; M27-F60 HydrophobicContact SD-CD1 3.96Å; M27-F60 HydrophobicContact SD-CG 3.89Å; M27-Y62 HydrophobicContact CE-CE1 4.07Å; M27-Y62 HydrophobicContact CG-CD1 3.54Å; M27-Y62 HydrophobicContact CG-CE1 3.28Å; M27-Y62 HydrophobicContact CG-CG 4.42Å; M27-Y62 HydrophobicContact SD-CE1 3.78Å
28T51.1Low48.8Very low51 Ų5191.6 Ų91.631%0.31347%0.472SS..EExtended strand (participates in β ladder)trans-95.2123.7169.543.80000109.4N30 S61T28-N30 PolarHBondContact O-N 2.99Å; T28-S61 PolarHBondContact N-O 2.96Å; T28-S61 PolarHBondContact O-N 2.74Å; T28-S61 PolarHBondContact O-OG 3.24Å; T28-S61 PolarHBondContact OG1-O 3.31Å; T28-S61 VanDerWaalsContact OG1-O 3.11Å; T28-S61 PolarHBondContact OG1-OG 3.44Å
29T50.1Low47.2Very low59 Ų5997 Ų9736%0.36250%0.498SS..EExtended strand (participates in β ladder)trans-70.3126.3166.349.30000108N31 F60T29-N31 VanDerWaalsContact C-N 3.3Å; T29-N31 PolarHBondContact O-N 3.33Å; T29-F60 HydrophobicContact CG2-CD1 4.18Å; T29-F60 HydrophobicContact CG2-CE1 3.85Å
30N46.9Very low45.7Very low92 Ų9297.8 Ų97.849%0.49250%0.497SS..  trans-61.894.6168.6-76.8-16.9000108.3T28 E32 S59 S61T28-N30 PolarHBondContact O-N 2.99Å; N30-E32 PolarHBondContact O-N 3.49Å; N30-S59 PolarHBondContact ND2-O 3.5Å; N30-S59 PolarHBondContact ND2-OG 2.94Å; N30-S61 PolarHBondContact OD1-OG 2.82Å
31N41.9Very low44.2Very low129 Ų129103.1 Ų103.169%0.6953%0.529SS*.  trans-70.9111.2165.4-84.7-11.1000106T29 C33T29-N31 VanDerWaalsContact C-N 3.3Å; T29-N31 PolarHBondContact O-N 3.33Å; N31-C33 PolarHBondContact O-N 3.29Å
32E37.4Very low42.6Very low170 Ų170108.6 Ų108.679%0.79457%0.569SS**  trans-46.6110.5170.8-71.8177.216900108.2N30 N34N30-E32 PolarHBondContact O-N 3.49Å; E32-N34 PolarHBondContact O-N 2.88Å
33C36.5Very low40.8Very low102 Ų102109.3 Ų109.369%0.68959%0.585SS**  trans-59.2122.5177.8-1720000107.2N31 T35N31-C33 PolarHBondContact O-N 3.29Å; C33-T35 PolarHBondContact O-N 3.43Å
34N27.1Very low39.1Very low148 Ų148115.4 Ų115.479%0.79162%0.618SS**  trans-60.977.5170.1-80.6-35.9000109.4E32 H36E32-N34 PolarHBondContact O-N 2.88Å; N34-H36 PolarHBondContact O-N 3.37Å
35T29.6Very low37.3Very low116 Ų116122 Ų12271%0.71265%0.648SS**  trans-70.592.9158.6490000105.5C33 E37C33-T35 PolarHBondContact O-N 3.43Å; T35-E37 PolarHBondContact O-N 3.49Å
36H30.4Very low35.2Very low176 Ų176123.8 Ų123.882%0.81566%0.664SS**  trans-53.2105.5165.9-89.2-87.1000108.1N34 L38N34-H36 PolarHBondContact O-N 3.37Å; H36-L38 VanDerWaalsContact C-N 3.34Å; H36-L38 PolarHBondContact O-N 3.02Å
37E31Very low33.8Very low163 Ų163128.6 Ų128.676%0.76270%0.699SS**  trans-58.593.6169.9-74.2-179.6146.800109.3T35 L39T35-E37 PolarHBondContact O-N 3.49Å; E37-L39 VanDerWaalsContact C-N 3.32Å; E37-L39 PolarHBondContact O-N 3.47Å
38L26.8Very low32.4Very low166 Ų166134.7 Ų134.787%0.86973%0.731SS**  trans-70.796.8145-87.8150.8000105.6H36H36-L38 VanDerWaalsContact C-N 3.34Å; H36-L38 PolarHBondContact O-N 3.02Å
39L27.3Very low31.4Very low166 Ų166140.8 Ų140.887%0.86976%0.756SS**  trans165.986.5152-86.3151.5000109.3E37E37-L39 VanDerWaalsContact C-N 3.32Å; E37-L39 PolarHBondContact O-N 3.47Å
40Q24.9Very low30.5Very low164 Ų164143.9 Ų143.977%0.76678%0.778SS**  trans-130.3106.8160.4-74.8-171.22.900108.8
41T23.5Very low29.6Very low139 Ų139149.4 Ų149.485%0.85380%0.798SS**  trans-174.6103.4130.146.70000109.1
42S27.9Very low28.7Very low126 Ų126151.6 Ų151.688%0.88180%0.804SS**  175129.8118.441.80000110.5
43T25.2Very low28.2Very low124 Ų124149.5 Ų149.576%0.76181%0.808SS**  trans-78.6154.6-17242.10000113.9
44N29.6Very low27.9Very low138 Ų138150.3 Ų150.374%0.73881%0.809SS**  trans131.9141.1144-68.4-6.3000110.3
45E27.7Very low28Very low152 Ų152146 Ų14671%0.7180%0.8SS**  cis-170.2151.7-12.2-115.9-174.2170.700104.7
46N26.8Very low28.3Very low124 Ų124149.2 Ų149.266%0.66380%0.804SS**  trans62100.8149.4-60.6-30000120.4
47T31.9Very low28.4Very low153 Ų153148.2 Ų148.294%0.93980%0.804SS**  -166.5127114.870000110.9
48L25.9Very low28.6Very low170 Ų170144.3 Ų144.389%0.8979%0.792SS**  trans-89.5123.9176.8-77.7130.4000109.7
49E30.5Very low29.1Very low179 Ų179140 Ų14084%0.83678%0.775SS**  trans-142145.6149.8-80.7-161.4161.100110.2F51E49-F51 PolarHBondContact O-N 3.32Å
50P32Very low29.7Very low125 Ų125137 Ų13781%0.81276%0.756SS**  trans-91.9109.3-161.733.3-27.4000111.6
51F26.8Very low31Very low208 Ų208130.8 Ų130.891%0.91273%0.73SS**  trans-80.8122.3171.8-105.9-94.2000111.3E49E49-F51 PolarHBondContact O-N 3.32Å
52Q24.8Very low32.3Very low175 Ų175130.1 Ų130.182%0.81871%0.713SS**  trans-55.5139.9171.4-74.5174.7-28.700110.9V54Q52-V54 PolarHBondContact O-N 2.64Å
53S26.5Very low33.5Very low125 Ų125124.3 Ų124.387%0.87467%0.672SS**  trans-63.191.9176.958.60000111G55S53-G55 PolarHBondContact O-N 3.27Å
54V28.8Very low35.2Very low120 Ų120120.8 Ų120.873%0.72765%0.649SS**  trans-72.5120.8162.1-178.60000106.1Q52 K56Q52-V54 PolarHBondContact O-N 2.64Å; V54-K56 PolarHBondContact O-N 2.75Å
55G29.2Very low36.6Very low57 Ų57114.2 Ų114.259%0.58861%0.613SS**  trans-49.3129172.900000108.7S53 D57S53-G55 PolarHBondContact O-N 3.27Å; G55-D57 VanDerWaalsContact C-N 3.27Å; G55-D57 PolarHBondContact O-N 3.44Å
56K36.1Very low38.3Very low184 Ų184109.2 Ų109.280%0.859%0.589SS**  trans-62.396.8173.3-76.6-172.5172.3-1660107.1V54 V58V54-K56 PolarHBondContact O-N 2.75Å; K56-V58 VanDerWaalsContact C-N 3.29Å; K56-V58 PolarHBondContact O-N 3Å
57D32.4Very low39.9Very low154 Ų154105.1 Ų105.182%0.82457%0.566SS**  trans-60.798.4166.3-79.2-28.9000106.5G55 S59G55-D57 VanDerWaalsContact C-N 3.27Å; G55-D57 PolarHBondContact O-N 3.44Å; D57-S59 VanDerWaalsContact C-N 3.34Å; D57-S59 PolarHBondContact O-N 3.05Å
58V37Very low41.3Very low82 Ų8298.7 Ų98.750%0.49753%0.527SS..  trans-61.8103.2169.1178.70000105.4K56 F60K56-V58 VanDerWaalsContact C-N 3.29Å; K56-V58 PolarHBondContact O-N 3Å; V58-F60 HydrophobicContact CB-CE2 4.2Å; V58-F60 HydrophobicContact CB-CZ 4.18Å; V58-F60 HydrophobicContact CG1-CD1 4.48Å; V58-F60 HydrophobicContact CG1-CE1 4.06Å; V58-F60 HydrophobicContact CG1-CE2 4.26Å; V58-F60 HydrophobicContact CG1-CZ 3.94Å; V58-F60 WeakPolarHBondContact O-CD2 3.38Å; V58-F60 WeakPolarHBondContact O-CE2 3.5Å; V58-F60 PolarHBondContact O-N 3.37Å; V58-F60 VanDerWaalsContact O-N 3.16Å
59S36.8Very low42.8Very low74 Ų7493 Ų9352%0.51750%0.497SS..  trans-69.1113.117457.10000108.2N30 D57N30-S59 PolarHBondContact ND2-O 3.5Å; N30-S59 PolarHBondContact ND2-OG 2.94Å; D57-S59 VanDerWaalsContact C-N 3.34Å; D57-S59 PolarHBondContact O-N 3.05Å
60F39.7Very low44Very low105 Ų10592.9 Ų92.946%0.46149%0.494SS..EExtended strand (participates in β ladder)trans-84130.6173-62.8-83000108.9M27 T29 V58M27-F60 HydrophobicContact CG-CB 4.22Å; M27-F60 HydrophobicContact SD-CB 3.97Å; M27-F60 HydrophobicContact SD-CD1 3.96Å; M27-F60 HydrophobicContact SD-CG 3.89Å; T29-F60 HydrophobicContact CG2-CD1 4.18Å; T29-F60 HydrophobicContact CG2-CE1 3.85Å; V58-F60 HydrophobicContact CB-CE2 4.2Å; V58-F60 HydrophobicContact CB-CZ 4.18Å; V58-F60 HydrophobicContact CG1-CD1 4.48Å; V58-F60 HydrophobicContact CG1-CE1 4.06Å; V58-F60 HydrophobicContact CG1-CE2 4.26Å; V58-F60 HydrophobicContact CG1-CZ 3.94Å; V58-F60 WeakPolarHBondContact O-CD2 3.38Å; V58-F60 WeakPolarHBondContact O-CE2 3.5Å; V58-F60 PolarHBondContact O-N 3.37Å; V58-F60 VanDerWaalsContact O-N 3.16Å
61S51.9Low45.1Very low33 Ų3389.7 Ų89.723%0.23147%0.474CS..EExtended strand (participates in β ladder)trans-96.2143164.744.90000108.7T28 N30T28-S61 PolarHBondContact N-O 2.96Å; T28-S61 PolarHBondContact O-N 2.74Å; T28-S61 PolarHBondContact O-OG 3.24Å; T28-S61 PolarHBondContact OG1-O 3.31Å; T28-S61 VanDerWaalsContact OG1-O 3.11Å; T28-S61 PolarHBondContact OG1-OG 3.44Å; N30-S61 PolarHBondContact OD1-OG 2.82Å
62Y50.2Low46.8Very low125 Ų12585 Ų8549%0.4947%0.467SS..EExtended strand (participates in β ladder)trans-104.5139.6176.4-63.3-90.1000109.1R25 R26 M27R25-Y62 HydrophobicContact CG-CD1 3.75Å; R25-Y62 HydrophobicContact CG-CG 4.28Å; R26-Y62 CarbonylContact O-C 3.6Å; R26-Y62 WeakPolarHBondContact O-CA 3.42Å; M27-Y62 HydrophobicContact CE-CE1 4.07Å; M27-Y62 HydrophobicContact CG-CD1 3.54Å; M27-Y62 HydrophobicContact CG-CE1 3.28Å; M27-Y62 HydrophobicContact CG-CG 4.42Å; M27-Y62 HydrophobicContact SD-CE1 3.78Å
63T54.7Low48.7Very low4 Ų477.5 Ų77.53%0.02543%0.432CS..EExtended strand (participates in β ladder)trans-128.7124.1175.3-57.10000110.2R25 R26 V65 V239 Y254R25-T63 CarbonylContact C-O 3.51Å; R25-T63 WeakPolarHBondContact CA-O 3.22Å; R26-T63 PolarHBondContact N-O 3.24Å; R26-T63 PolarHBondContact O-N 3.05Å; T63-V65 HydrophobicContact CG2-CG2 4.35Å; T63-V239 HydrophobicContact CG2-CG2 4.14Å; T63-Y254 HydrophobicContact CG2-CD2 3.49Å; T63-Y254 VanDerWaalsContact CG2-CD2 3.49Å; T63-Y254 HydrophobicContact CG2-CE2 3.98Å; T63-Y254 HydrophobicContact CG2-CG 3.78Å
64D60.5Low50.6Low50 Ų5075.2 Ų75.227%0.26741%0.414SS..EExtended strand (participates in β ladder)trans-85117.7175.6-64.8-13.5000109.5I15 V23 R25 T265I15-D64 HydrophobicContact CD1-CB 4.13Å; I15-D64 WeakPolarHBondContact CD1-OD1 3.29Å; V23-D64 HydrophobicContact CG1-CB 4.06Å; R25-D64 WeakPolarHBondContact CB-OD1 3.33Å; R25-D64 WeakPolarHBondContact CG-OD1 3.38Å; R25-D64 IonicContact CZ-OD1 3.19Å; R25-D64 IonicContact CZ-OD2 3.45Å; R25-D64 IonicContact NE-OD1 3.1Å; R25-D64 PolarHBondContact NE-OD1 3.46Å; R25-D64 IonicContact NE-OD2 2.75Å; R25-D64 IonicContact NH2-OD1 2.88Å; R25-D64 PolarHBondContact NH2-OD1 3.15Å; R25-D64 IonicContact NH2-OD2 2.68Å; R25-D64 PolarHBondContact NH2-OD2 3Å; D64-T265 PolarHBondContact O-OG1 3.09Å
65V58.3Low52.7Low0 Ų072.1 Ų72.10%039%0.393CS..EExtended strand (participates in β ladder)trans-107.8121.4-175.1-171.90000109.7V23 V24 R26 T63 M67 V239V23-V65 CarbonylContact C-O 3.6Å; V23-V65 WeakPolarHBondContact CA-O 3.41Å; V24-V65 PolarHBondContact N-O 3.25Å; V24-V65 WeakPolarHBondContact O-CB 2.92Å; V24-V65 PolarHBondContact O-N 2.98Å; R26-V65 HydrophobicContact CB-CG2 4.35Å; R26-V65 HydrophobicContact CG-CG2 3.96Å; T63-V65 HydrophobicContact CG2-CG2 4.35Å; V65-M67 HydrophobicContact CG1-CG 4.05Å; V65-M67 PolarHBondContact O-N 3.26Å; V65-V239 HydrophobicContact CB-CG1 4.49Å; V65-V239 HydrophobicContact CG1-CG1 4.31Å; V65-V239 HydrophobicContact CG2-CB 4.45Å; V65-V239 HydrophobicContact CG2-CG1 3.36Å
66F64.3Low54.6Low46 Ų4671.7 Ų71.720%0.20238%0.38CS..EExtended strand (participates in β ladder)trans-87.5107.8175-61.8-84.2000109.3M21 W22 V23 T265 F297M21-F66 HydrophobicContact CE-CD1 3.47Å; M21-F66 VanDerWaalsContact CE-CD1 3.47Å; M21-F66 HydrophobicContact CE-CE1 3.95Å; M21-F66 HydrophobicContact CG-CB 4.31Å; M21-F66 HydrophobicContact CG-CD1 4.42Å; M21-F66 HydrophobicContact SD-CB 3.78Å; M21-F66 HydrophobicContact SD-CD1 3.43Å; M21-F66 WeakPolarHBondContact SD-CD1 3.27Å; M21-F66 HydrophobicContact SD-CE1 4.41Å; M21-F66 HydrophobicContact SD-CG 4.02Å; W22-F66 CarbonylContact O-C 3.47Å; W22-F66 WeakPolarHBondContact O-CA 2.84Å; V23-F66 HydrophobicContact CB-CD1 4.42Å; V23-F66 HydrophobicContact CB-CE1 4.38Å; V23-F66 HydrophobicContact CG1-CD1 4.31Å; V23-F66 HydrophobicContact CG1-CE1 4.02Å; V23-F66 HydrophobicContact CG1-CZ 4.37Å; V23-F66 HydrophobicContact CG2-CD1 3.56Å; V23-F66 HydrophobicContact CG2-CE1 3.48Å; V23-F66 VanDerWaalsContact CG2-CE1 3.48Å; F66-T265 HydrophobicContact CD2-CG2 3.64Å; F66-T265 HydrophobicContact CE2-CG2 4.12Å; F66-F297 HydrophobicContact CD1-CB 4.4Å; F66-F297 HydrophobicContact CE1-CB 4.49Å; F66-F297 HydrophobicContact CE1-CD1 4.46Å; F66-F297 HydrophobicContact CE1-CG 4.39Å; F66-F297 HydrophobicContact CZ-CD1 4.49Å
67M60.6Low56Low38 Ų3867.4 Ų67.419%0.18737%0.372CS..EExtended strand (participates in β ladder)trans-104.3130.4174.7-58.3-146.4-55.900109.8M21 W22 V24 V65M21-M67 CarbonylContact C-O 3.52Å; M21-M67 VanDerWaalsContact CA-O 3.27Å; M21-M67 WeakPolarHBondContact CA-O 3.42Å; M21-M67 WeakPolarHBondContact CG-O 3.26Å; W22-M67 HydrophobicContact CB-CB 4.43Å; W22-M67 HydrophobicContact CE3-CE 3.94Å; W22-M67 HydrophobicContact CZ3-CE 4.36Å; W22-M67 PolarHBondContact N-O 3.24Å; W22-M67 PolarHBondContact O-N 2.97Å; V24-M67 HydrophobicContact CG2-CE 4.27Å; V65-M67 HydrophobicContact CG1-CG 4.05Å; V65-M67 PolarHBondContact O-N 3.26Å
68L60.2Low57.8Low19 Ų1963.4 Ų63.410%0.09936%0.356CS..EExtended strand (participates in β ladder)trans-87148.8179.6-62.6153.4000110.9T20 M21 W244 I250 F269 K292T20-L68 WeakPolarHBondContact O-CA 3.39Å; M21-L68 HydrophobicContact CB-CD2 4.35Å; M21-L68 HydrophobicContact CG-CD2 4.35Å; L68-W244 HydrophobicContact CB-CZ2 4.31Å; L68-W244 WeakPolarHBondContact O-CH2 3.49Å; L68-W244 WeakPolarHBondContact O-CZ2 3.24Å; L68-I250 HydrophobicContact CD1-CD1 3.66Å; L68-I250 HydrophobicContact CD1-CG2 4.42Å; L68-F269 HydrophobicContact CD1-CE1 3.74Å; L68-F269 HydrophobicContact CD1-CZ 3.49Å; L68-F269 VanDerWaalsContact CD1-CZ 3.49Å; L68-K292 HydrophobicContact CD1-CG 4.19Å
69N58.1Low59.8Low49 Ų4960.2 Ų60.226%0.26234%0.336SS..  trans-65150.6-177.4-169.6-6.3000112.5D19 T20 S71 W244 K292D19-N69 PolarHBondContact O-ND2 3.29Å; T20-N69 PolarHBondContact O-N 3.28Å; N69-S71 PolarHBondContact O-N 3.26Å; N69-W244 VanDerWaalsContact C-CH2 3.48Å; N69-W244 WeakPolarHBondContact O-CH2 3.43Å; N69-K292 PolarHBondContact O-NZ 3.14Å
70K55.5Low62.1Low178 Ų17860.7 Ų60.777%0.77433%0.333SS*.SBendtrans-76.1-13.3-176.5-82-173176.2-172.20118.4W244K70-W244 HydrophobicContact CB-CH2 3.89Å; K70-W244 HydrophobicContact CB-CZ3 3.84Å; K70-W244 HydrophobicContact CG-CH2 3.3Å; K70-W244 HydrophobicContact CG-CZ2 4.38Å; K70-W244 HydrophobicContact CG-CZ3 3.44Å; K70-W244 VanDerWaalsContact CG-CZ3 3.44Å
71S55.1Low64.2Low57 Ų5759.7 Ų59.740%0.39934%0.335SS..SBendtrans-65.6150-177.550.30000113.3N69 E73N69-S71 PolarHBondContact O-N 3.26Å; S71-E73 PolarHBondContact O-N 3.13Å
72S61.8Low65.9Low110 Ų11062.2 Ų62.277%0.76935%0.351SS*.PPolyproline II helixtrans-53.1126.7160.1520000108.8P74S72-P74 WeakPolarHBondContact O-CD 3.44Å
73E65.4Low67.6Low18 Ų1857 Ų578%0.08433%0.332CS..PPolyproline II helixtrans-75.5120.6-174.8-64.6-63.6173.800110.1S71 R291 K292 R295S71-E73 PolarHBondContact O-N 3.13Å; E73-R291 HydrophobicContact CB-CB 3.97Å; E73-R291 PolarHBondContact O-NE 3.02Å; E73-K292 HydrophobicContact CG-CD 3.76Å; E73-K292 WeakPolarHBondContact OE1-CD 3.35Å; E73-K292 IonicContact OE1-NZ 4Å; E73-K292 PolarHBondContact OE1-NZ 3.32Å; E73-R295 VanDerWaalsContact CD-CD 3.42Å; E73-R295 WeakPolarHBondContact OE2-CD 3.23Å; E73-R295 IonicContact OE2-CZ 3.75Å; E73-R295 IonicContact OE2-NE 2.68Å; E73-R295 PolarHBondContact OE2-NE 3.29Å; E73-R295 IonicContact OE2-NH1 3.98Å; E73-R295 PolarHBondContact OE2-NH1 2.99Å
74P66.8Low69Low76 Ų7656.8 Ų56.849%0.49433%0.33SS..PPolyproline II helixtrans-63.9145.6-17720.1-25.3000110.5S72 P76 R295S72-P74 WeakPolarHBondContact O-CD 3.44Å; P74-P76 WeakPolarHBondContact O-CD 3.5Å; P74-R295 PolarHBondContact O-NH2 3.19Å
75I71.6Confident70.4Confident55 Ų5559.6 Ų59.628%0.28234%0.342SS..PPolyproline II helixtrans-72.8122.2179.1-57.6179000107.9C77 A371 M372I75-C77 PolarHBondContact O-N 3.3Å; I75-C77 VanDerWaalsContact O-N 3.1Å; I75-A371 HydrophobicContact CD1-CB 3.36Å; I75-M372 HydrophobicContact CG2-CB 4.32Å; I75-M372 HydrophobicContact CG2-CE 4.36Å; I75-M372 HydrophobicContact CG2-CG 3.41Å; I75-M372 VanDerWaalsContact CG2-CG 3.41Å
76P68.8Low71.8Confident49 Ų4964.4 Ų64.432%0.31837%0.366SS..  trans-64.9111.3176.9-16.530000110P74 T329P74-P76 WeakPolarHBondContact O-CD 3.5Å; P76-T329 HydrophobicContact CB-CG2 4.09Å
77C66Low72.9Confident94 Ų9462.3 Ų62.364%0.63536%0.358SS*.  trans-98.990177.9-177.80000110I75 M372I75-C77 PolarHBondContact O-N 3.3Å; I75-C77 VanDerWaalsContact O-N 3.1Å; C77-M372 PolarHBondContact SG-O 3.46Å; C77-M372 VanDerWaalsContact SG-O 3.34Å
78S70.6Confident74.3Confident69 Ų6961 Ų6148%0.48335%0.351SS..  trans-115.7-5.8173.158.90000113.7T329S78-T329 WeakPolarHBondContact OG-CA 3.3Å; S78-T329 PolarHBondContact OG-O 3.48Å
79I79.7Confident75.6Confident16 Ų1663.5 Ų63.58%0.08237%0.37CS..SBendtrans-81137.3-176.9-163.4177.2000110.8T83 I87 I328 V369 M372 L373I79-T83 HydrophobicContact CD1-CG2 4.24Å; I79-T83 HydrophobicContact CG1-CG2 4.13Å; I79-I87 HydrophobicContact CD1-CD1 3.94Å; I79-I328 HydrophobicContact CD1-CG2 3.67Å; I79-I328 HydrophobicContact CG1-CG2 4.4Å; I79-V369 HydrophobicContact CD1-CG1 4.4Å; I79-M372 HydrophobicContact CG2-CB 4.08Å; I79-L373 HydrophobicContact CG2-CD2 4.22Å
80D84.1Confident77Confident83 Ų8364 Ų6444%0.44437%0.369SS..  trans-74.2143.2169.467.394.8000110.8P82 T83 G84D80-P82 WeakPolarHBondContact OD1-CD 3.2Å; D80-T83 PolarHBondContact O-N 2.73Å; D80-T83 VanDerWaalsContact O-N 3.15Å; D80-T83 WeakPolarHBondContact OD1-CB 3.33Å; D80-T83 PolarHBondContact OD1-N 3.27Å; D80-T83 PolarHBondContact OD1-OG1 2.92Å; D80-T83 WeakPolarHBondContact OD2-CB 3.5Å; D80-T83 PolarHBondContact OD2-OG1 2.88Å; D80-G84 PolarHBondContact O-N 3.23Å
81V84.5Confident78.5Confident85 Ų8555.5 Ų55.552%0.51533%0.332SS..Hα-helixtrans-54.5-45.5-174.4176.20000112.7G84 H85 L373V81-G84 PolarHBondContact O-N 3.48Å; V81-H85 PolarHBondContact O-CD2 3Å; V81-H85 PolarHBondContact O-N 3.22Å; V81-L373 HydrophobicContact CB-CD2 4.43Å; V81-L373 HydrophobicContact CG2-CD2 4.34Å
82P86.5Confident80.1Confident85 Ų8557.4 Ų57.455%0.55233%0.334SS*.Hα-helixtrans-57.9-48.6175.3-2534.4000113.8D80 G84 H85 I86D80-P82 WeakPolarHBondContact OD1-CD 3.2Å; P82-G84 VanDerWaalsContact C-N 3.33Å; P82-G84 PolarHBondContact O-N 3.41Å; P82-H85 PolarHBondContact O-N 3.12Å; P82-I86 WeakPolarHBondContact O-CG1 3.31Å; P82-I86 PolarHBondContact O-N 3.17Å
83T86Confident81.3Confident15 Ų1559.3 Ų59.39%0.09233%0.329CS..Hα-helixtrans-63.3-38.6178.4-74.60000112I79 D80 H85 I86 I87I79-T83 HydrophobicContact CD1-CG2 4.24Å; I79-T83 HydrophobicContact CG1-CG2 4.13Å; D80-T83 PolarHBondContact O-N 2.73Å; D80-T83 VanDerWaalsContact O-N 3.15Å; D80-T83 WeakPolarHBondContact OD1-CB 3.33Å; D80-T83 PolarHBondContact OD1-N 3.27Å; D80-T83 PolarHBondContact OD1-OG1 2.92Å; D80-T83 WeakPolarHBondContact OD2-CB 3.5Å; D80-T83 PolarHBondContact OD2-OG1 2.88Å; T83-H85 PolarHBondContact O-N 2.91Å; T83-I86 PolarHBondContact O-N 3.38Å; T83-I87 HydrophobicContact CG2-CD1 3.81Å; T83-I87 WeakPolarHBondContact O-CG1 3.28Å; T83-I87 PolarHBondContact O-N 3.29Å
84G85.9Confident82.2Confident0 Ų059.7 Ų59.70%033%0.331CS..Hα-helixtrans-60.2-44.5173.800000113.1D80 V81 P82 I86 I87 L88D80-G84 PolarHBondContact O-N 3.23Å; V81-G84 PolarHBondContact O-N 3.48Å; P82-G84 VanDerWaalsContact C-N 3.33Å; P82-G84 PolarHBondContact O-N 3.41Å; G84-I86 VanDerWaalsContact C-N 3.33Å; G84-I86 PolarHBondContact O-N 3.06Å; G84-I87 PolarHBondContact O-N 3.22Å; G84-L88 WeakPolarHBondContact O-CG 3.26Å; G84-L88 PolarHBondContact O-N 2.74Å
85H88.5Confident83.2Confident110 Ų11058 Ų5851%0.50932%0.318SS..Hα-helixtrans-65.3-33.8175.8-75.7-60000113.4V81 P82 T83 S89V81-H85 PolarHBondContact O-CD2 3Å; V81-H85 PolarHBondContact O-N 3.22Å; P82-H85 PolarHBondContact O-N 3.12Å; T83-H85 PolarHBondContact O-N 2.91Å; H85-S89 VanDerWaalsContact O-CB 3.29Å; H85-S89 WeakPolarHBondContact O-CB 3.42Å; H85-S89 PolarHBondContact O-N 3.19Å
86I89Confident84.1Confident100 Ų10062.8 Ų62.851%0.51334%0.338SS..Hα-helixtrans-63.9-47.9174.1-69167000110.3P82 T83 G84 S89 Y90P82-I86 WeakPolarHBondContact O-CG1 3.31Å; P82-I86 PolarHBondContact O-N 3.17Å; T83-I86 PolarHBondContact O-N 3.38Å; G84-I86 VanDerWaalsContact C-N 3.33Å; G84-I86 PolarHBondContact O-N 3.06Å; I86-S89 PolarHBondContact O-N 2.68Å; I86-Y90 PolarHBondContact O-N 3.31Å
87I87.2Confident85.2Confident3 Ų364 Ų642%0.01534%0.342CS..Hα-helixtrans-63.1-45178.8-70.9159.8000110.6I79 T83 G84 S89 Y90 M91 I328 I335 V369I79-I87 HydrophobicContact CD1-CD1 3.94Å; T83-I87 HydrophobicContact CG2-CD1 3.81Å; T83-I87 WeakPolarHBondContact O-CG1 3.28Å; T83-I87 PolarHBondContact O-N 3.29Å; G84-I87 PolarHBondContact O-N 3.22Å; I87-S89 PolarHBondContact O-N 3.14Å; I87-Y90 WeakPolarHBondContact O-CB 3.4Å; I87-Y90 PolarHBondContact O-N 2.71Å; I87-M91 HydrophobicContact CG2-CE 3.99Å; I87-M91 HydrophobicContact CG2-CG 4.44Å; I87-M91 WeakPolarHBondContact O-CG 3.33Å; I87-M91 PolarHBondContact O-N 2.96Å; I87-I328 HydrophobicContact CD1-CG1 4.42Å; I87-I328 HydrophobicContact CG2-CD1 4.28Å; I87-I335 HydrophobicContact CD1-CD1 3.83Å; I87-I335 HydrophobicContact CD1-CG1 4.24Å; I87-I335 HydrophobicContact CG1-CD1 3.94Å; I87-I335 HydrophobicContact CG1-CG1 4.26Å; I87-I335 HydrophobicContact CG2-CD1 3.74Å; I87-V369 HydrophobicContact CG2-CG1 4.31Å; I87-V369 HydrophobicContact CG2-CG2 4.04Å
88L88.5Confident86.3Confident10 Ų1065.7 Ų65.75%0.05234%0.335CS..Hα-helixtrans-59.3-47.8175.9-76177.2000112G84 Y90 M91 E92 A366 V369 D370 L373G84-L88 WeakPolarHBondContact O-CG 3.26Å; G84-L88 PolarHBondContact O-N 2.74Å; L88-Y90 PolarHBondContact O-N 3.47Å; L88-M91 PolarHBondContact O-N 3.5Å; L88-M91 VanDerWaalsContact O-N 3.09Å; L88-E92 WeakPolarHBondContact O-CB 3.38Å; L88-E92 VanDerWaalsContact O-CG 3.32Å; L88-E92 WeakPolarHBondContact O-CG 3.49Å; L88-E92 PolarHBondContact O-N 3.39Å; L88-A366 HydrophobicContact CD2-CB 4.34Å; L88-A366 VanDerWaalsContact CD2-O 3.24Å; L88-A366 WeakPolarHBondContact CD2-O 3.44Å; L88-V369 HydrophobicContact CD1-CG1 4.36Å; L88-V369 HydrophobicContact CD2-CB 3.89Å; L88-V369 HydrophobicContact CD2-CG1 3.93Å; L88-V369 HydrophobicContact CG-CB 4.27Å; L88-V369 HydrophobicContact CG-CG1 3.72Å; L88-D370 HydrophobicContact CD1-CB 4.33Å; L88-D370 HydrophobicContact CD2-CB 4.19Å; L88-L373 HydrophobicContact CD1-CD1 3.53Å; L88-L373 HydrophobicContact CG-CD1 4.48Å
89S88.6Confident87.3Confident72 Ų7268.2 Ų68.250%0.50334%0.343SS..Hα-helixtrans-60.2-36.9179-178.70000112.2H85 I86 I87 K93H85-S89 VanDerWaalsContact O-CB 3.29Å; H85-S89 WeakPolarHBondContact O-CB 3.42Å; H85-S89 PolarHBondContact O-N 3.19Å; I86-S89 PolarHBondContact O-N 2.68Å; I87-S89 PolarHBondContact O-N 3.14Å; S89-K93 WeakPolarHBondContact O-CB 3.49Å; S89-K93 PolarHBondContact O-N 3.27Å; S89-K93 VanDerWaalsContact O-N 3.13Å
90Y87.2Confident87.8Confident59 Ų5970.9 Ų70.923%0.23136%0.355CS..Hα-helixtrans-61.6-53.5171.3166.4-92.7000111.1I86 I87 L88 E92 K93 H94I86-Y90 PolarHBondContact O-N 3.31Å; I87-Y90 WeakPolarHBondContact O-CB 3.4Å; I87-Y90 PolarHBondContact O-N 2.71Å; L88-Y90 PolarHBondContact O-N 3.47Å; Y90-E92 PolarHBondContact O-N 3.05Å; Y90-K93 WeakPolarHBondContact O-CB 3.38Å; Y90-K93 PolarHBondContact O-N 2.98Å; Y90-H94 AromaticContact CD2-CD2 3.81Å; Y90-H94 AromaticContact CD2-NE2 3.72Å; Y90-H94 AromaticContact CE2-CD2 3.51Å; Y90-H94 AromaticContact CE2-NE2 3.11Å; Y90-H94 WeakPolarHBondContact CE2-NE2 3.49Å; Y90-H94 AromaticContact CZ-CD2 3.67Å; Y90-H94 AromaticContact CZ-NE2 3.53Å; Y90-H94 PolarHBondContact O-CD2 3.15Å; Y90-H94 VanDerWaalsContact O-CD2 3.26Å; Y90-H94 PolarHBondContact O-N 2.85Å
91M87.5Confident88.1Confident0 Ų067 Ų670%033%0.334CS..Hα-helixtrans-61.4-45.8-178.3-59.6-60.316200112.1I87 L88 K93 H94 L95 I335 I337 L362 T365 A366I87-M91 HydrophobicContact CG2-CE 3.99Å; I87-M91 HydrophobicContact CG2-CG 4.44Å; I87-M91 WeakPolarHBondContact O-CG 3.33Å; I87-M91 PolarHBondContact O-N 2.96Å; L88-M91 PolarHBondContact O-N 3.5Å; L88-M91 VanDerWaalsContact O-N 3.09Å; M91-K93 VanDerWaalsContact C-N 3.3Å; M91-K93 PolarHBondContact O-N 3.27Å; M91-H94 PolarHBondContact O-N 2.68Å; M91-H94 VanDerWaalsContact O-N 3.17Å; M91-L95 VanDerWaalsContact O-CG 3.31Å; M91-L95 WeakPolarHBondContact O-CG 3.49Å; M91-L95 PolarHBondContact O-N 3.36Å; M91-I335 HydrophobicContact CE-CD1 4.31Å; M91-I335 HydrophobicContact CE-CG2 4.34Å; M91-I337 HydrophobicContact CE-CD1 3.43Å; M91-I337 VanDerWaalsContact CE-CD1 3.43Å; M91-I337 HydrophobicContact CE-CG1 3.88Å; M91-I337 HydrophobicContact SD-CD1 3.56Å; M91-I337 VanDerWaalsContact SD-CD1 3.56Å; M91-I337 HydrophobicContact SD-CG1 4.4Å; M91-L362 HydrophobicContact SD-CD2 3.72Å; M91-T365 HydrophobicContact CE-CG2 3.9Å; M91-T365 HydrophobicContact SD-CG2 4.49Å; M91-A366 HydrophobicContact CB-CB 3.75Å; M91-A366 HydrophobicContact CG-CB 4.17Å
92E87.9Confident88.6Confident96 Ų9665.3 Ų65.345%0.44933%0.325SS..Hα-helixtrans-60-40.3179.4-73.8176.8167.100111.8L88 Y90 H94 L95 Q96L88-E92 WeakPolarHBondContact O-CB 3.38Å; L88-E92 VanDerWaalsContact O-CG 3.32Å; L88-E92 WeakPolarHBondContact O-CG 3.49Å; L88-E92 PolarHBondContact O-N 3.39Å; Y90-E92 PolarHBondContact O-N 3.05Å; E92-H94 PolarHBondContact O-N 2.82Å; E92-L95 PolarHBondContact O-N 3.18Å; E92-Q96 WeakPolarHBondContact O-CB 3.42Å; E92-Q96 WeakPolarHBondContact O-CG 2.88Å; E92-Q96 PolarHBondContact O-N 2.59Å
93K87.1Confident88.9Confident151 Ų15166.9 Ų66.966%0.65733%0.325SS*.Hα-helixtrans-60.1-45.8175.8-177.8-174.3173.3-169.60111.3S89 Y90 M91 D97S89-K93 WeakPolarHBondContact O-CB 3.49Å; S89-K93 PolarHBondContact O-N 3.27Å; S89-K93 VanDerWaalsContact O-N 3.13Å; Y90-K93 WeakPolarHBondContact O-CB 3.38Å; Y90-K93 PolarHBondContact O-N 2.98Å; M91-K93 VanDerWaalsContact C-N 3.3Å; M91-K93 PolarHBondContact O-N 3.27Å; K93-D97 PolarHBondContact O-N 2.97Å
94H84.2Confident89.2Confident26 Ų2667.6 Ų67.612%0.1233%0.328CS..Hα-helixtrans-67.8-34177.7-77.3-85.5000112.3Y90 M91 E92 D104 L362Y90-H94 AromaticContact CD2-CD2 3.81Å; Y90-H94 AromaticContact CD2-NE2 3.72Å; Y90-H94 AromaticContact CE2-CD2 3.51Å; Y90-H94 AromaticContact CE2-NE2 3.11Å; Y90-H94 WeakPolarHBondContact CE2-NE2 3.49Å; Y90-H94 AromaticContact CZ-CD2 3.67Å; Y90-H94 AromaticContact CZ-NE2 3.53Å; Y90-H94 PolarHBondContact O-CD2 3.15Å; Y90-H94 VanDerWaalsContact O-CD2 3.26Å; Y90-H94 PolarHBondContact O-N 2.85Å; M91-H94 PolarHBondContact O-N 2.68Å; M91-H94 VanDerWaalsContact O-N 3.17Å; E92-H94 PolarHBondContact O-N 2.82Å; H94-D104 IonicContact CE1-OD2 3.69Å; H94-D104 PolarHBondContact CE1-OD2 3.32Å; H94-D104 IonicContact ND1-OD2 3.14Å; H94-D104 PolarHBondContact ND1-OD2 3.32Å; H94-L362 HydrophobicContact CB-CD2 4.36Å
95L88.1Confident89.6Confident41 Ų4168.5 Ų68.522%0.21533%0.331CS..Hα-helixtrans-78.5-29.9-179.9-68.7168.2000113.4M91 E92 E359 L362 A366M91-L95 VanDerWaalsContact O-CG 3.31Å; M91-L95 WeakPolarHBondContact O-CG 3.49Å; M91-L95 PolarHBondContact O-N 3.36Å; E92-L95 PolarHBondContact O-N 3.18Å; L95-E359 HydrophobicContact CD2-CG 4.08Å; L95-L362 HydrophobicContact CD2-CB 3.95Å; L95-L362 HydrophobicContact CG-CB 4.41Å; L95-A366 HydrophobicContact CD1-CB 4.27Å
96Q90.8Very high90Very high154 Ų15466.5 Ų66.572%0.7233%0.325SS*.Hα-helixtrans-77.9-33.2178.4-72.9173.714.700112.6E92 R98E92-Q96 WeakPolarHBondContact O-CB 3.42Å; E92-Q96 WeakPolarHBondContact O-CG 2.88Å; E92-Q96 PolarHBondContact O-N 2.59Å; Q96-R98 PolarHBondContact O-N 3.25Å
97D91.2Very high90.2Very high74 Ų7465.4 Ų65.440%0.39633%0.326SS..  trans-96.387.3178.7-167.2-20000111.4K93 N99 Q100 L101K93-D97 PolarHBondContact O-N 2.97Å; D97-N99 PolarHBondContact O-N 2.81Å; D97-N99 WeakPolarHBondContact OD1-CB 3.35Å; D97-N99 PolarHBondContact OD1-N 2.92Å; D97-N99 VanDerWaalsContact OD1-N 3.12Å; D97-Q100 HydrophobicContact CB-CB 3.83Å; D97-Q100 VanDerWaalsContact CG-CB 3.47Å; D97-Q100 PolarHBondContact O-N 2.94Å; D97-Q100 PolarHBondContact OD1-N 3.42Å; D97-L101 PolarHBondContact O-N 3.43Å
98R89.5Confident90.5Very high130 Ų13065.4 Ų65.449%0.49133%0.326SS..Hα-helixtrans-59.4-29.7178.9-67.5-74.2-94.3171.5-5.1113Q96 T102 E359Q96-R98 PolarHBondContact O-N 3.25Å; R98-T102 WeakPolarHBondContact O-CB 3.41Å; R98-T102 PolarHBondContact O-N 2.91Å; R98-T102 VanDerWaalsContact O-N 3.09Å; R98-T102 PolarHBondContact O-OG1 2.86Å; R98-E359 IonicContact CZ-OE1 2.76Å; R98-E359 IonicContact CZ-OE2 2.75Å; R98-E359 IonicContact NH1-OE1 2.81Å; R98-E359 PolarHBondContact NH1-OE1 2.91Å; R98-E359 IonicContact NH1-OE2 2.74Å; R98-E359 PolarHBondContact NH1-OE2 2.69Å; R98-E359 IonicContact NH2-OE2 3.68Å
99N91.8Very high90.8Very high122 Ų12269 Ų6965%0.65235%0.345SS*.Hα-helixtrans-71.6-47.9177.8-68.6-27.4000109.7D97 L101 T102 E103D97-N99 PolarHBondContact O-N 2.81Å; D97-N99 WeakPolarHBondContact OD1-CB 3.35Å; D97-N99 PolarHBondContact OD1-N 2.92Å; D97-N99 VanDerWaalsContact OD1-N 3.12Å; N99-L101 VanDerWaalsContact C-N 3.34Å; N99-L101 PolarHBondContact O-N 3.3Å; N99-T102 WeakPolarHBondContact O-CB 3.33Å; N99-T102 PolarHBondContact O-N 2.73Å; N99-T102 VanDerWaalsContact O-N 3.16Å; N99-E103 WeakPolarHBondContact O-CG 3.47Å; N99-E103 PolarHBondContact O-N 3.36Å
100Q89.3Confident90.9Very high72 Ų7273.2 Ų73.234%0.33635%0.354SS..Hα-helixtrans-59.6-45.3175.9-172.163.363.900111.4D97 T102 E103 D104D97-Q100 HydrophobicContact CB-CB 3.83Å; D97-Q100 VanDerWaalsContact CG-CB 3.47Å; D97-Q100 PolarHBondContact O-N 2.94Å; D97-Q100 PolarHBondContact OD1-N 3.42Å; Q100-T102 VanDerWaalsContact C-N 3.26Å; Q100-T102 PolarHBondContact O-N 2.91Å; Q100-E103 PolarHBondContact O-N 2.93Å; Q100-E103 VanDerWaalsContact O-N 3.12Å; Q100-D104 PolarHBondContact NE2-OD1 2.89Å; Q100-D104 WeakPolarHBondContact O-CB 3.38Å; Q100-D104 PolarHBondContact O-N 3.21Å
101L91.9Very high91.1Very high1 Ų173.7 Ų73.71%0.00536%0.356CS..Hα-helixtrans-56.9-41.8176.5-177.464.1000112.1D97 N99 W105 L355 Y358 E359 L362D97-L101 PolarHBondContact O-N 3.43Å; N99-L101 VanDerWaalsContact C-N 3.34Å; N99-L101 PolarHBondContact O-N 3.3Å; L101-W105 WeakPolarHBondContact O-CB 3.28Å; L101-W105 PolarHBondContact O-N 3.03Å; L101-L355 HydrophobicContact CD2-CD1 4.35Å; L101-L355 HydrophobicContact CG-CD1 3.98Å; L101-Y358 HydrophobicContact CD1-CD1 4.05Å; L101-Y358 HydrophobicContact CD1-CE1 4.01Å; L101-E359 HydrophobicContact CD2-CB 4.14Å; L101-E359 HydrophobicContact CD2-CG 4.01Å; L101-L362 HydrophobicContact CD1-CD1 3.35Å
102T94.2Very high90.9Very high50 Ų5079.3 Ų79.331%0.30739%0.39SS..Hα-helixtrans-69.5-38.6177.8-57.60000111.4R98 N99 Q100 N106R98-T102 WeakPolarHBondContact O-CB 3.41Å; R98-T102 PolarHBondContact O-N 2.91Å; R98-T102 VanDerWaalsContact O-N 3.09Å; R98-T102 PolarHBondContact O-OG1 2.86Å; N99-T102 WeakPolarHBondContact O-CB 3.33Å; N99-T102 PolarHBondContact O-N 2.73Å; N99-T102 VanDerWaalsContact O-N 3.16Å; Q100-T102 VanDerWaalsContact C-N 3.26Å; Q100-T102 PolarHBondContact O-N 2.91Å; T102-N106 WeakPolarHBondContact O-CB 3.21Å; T102-N106 PolarHBondContact O-N 2.79Å; T102-N106 PolarHBondContact O-ND2 3.49Å
103E93Very high90.5Very high119 Ų11975 Ų7556%0.55637%0.371SS*.Hα-helixtrans-65.6-45.6175.3-74.3-179.2-17400112N99 Q100 W105 N106 S107N99-E103 WeakPolarHBondContact O-CG 3.47Å; N99-E103 PolarHBondContact O-N 3.36Å; Q100-E103 PolarHBondContact O-N 2.93Å; Q100-E103 VanDerWaalsContact O-N 3.12Å; E103-W105 VanDerWaalsContact C-N 3.35Å; E103-W105 PolarHBondContact O-N 2.8Å; E103-N106 PolarHBondContact O-N 3.12Å; E103-S107 PolarHBondContact O-N 3.17Å
104D91.8Very high90Very high30 Ų3076.3 Ų76.316%0.1638%0.379CS..Hα-helixtrans-58-49.5175.1-65.2-14.8000110H94 Q100 N106 S107 I108H94-D104 IonicContact CE1-OD2 3.69Å; H94-D104 PolarHBondContact CE1-OD2 3.32Å; H94-D104 IonicContact ND1-OD2 3.14Å; H94-D104 PolarHBondContact ND1-OD2 3.32Å; Q100-D104 PolarHBondContact NE2-OD1 2.89Å; Q100-D104 WeakPolarHBondContact O-CB 3.38Å; Q100-D104 PolarHBondContact O-N 3.21Å; D104-N106 PolarHBondContact O-N 3.46Å; D104-S107 WeakPolarHBondContact O-CB 3.03Å; D104-S107 PolarHBondContact O-N 3.21Å; D104-S107 VanDerWaalsContact O-N 3.17Å; D104-I108 VanDerWaalsContact O-CG1 3.29Å; D104-I108 WeakPolarHBondContact O-CG1 3.49Å; D104-I108 PolarHBondContact O-N 3.11Å
105W95.4Very high89.2Confident18 Ų1883.7 Ų83.77%0.06841%0.414CS..Hα-helixtrans-59-44.7175.1173.1-102.8000112.2L101 E103 S107 I108 D109 L341 I352 T354 L355 Y358L101-W105 WeakPolarHBondContact O-CB 3.28Å; L101-W105 PolarHBondContact O-N 3.03Å; E103-W105 VanDerWaalsContact C-N 3.35Å; E103-W105 PolarHBondContact O-N 2.8Å; W105-S107 PolarHBondContact O-N 2.75Å; W105-I108 PolarHBondContact O-N 3.38Å; W105-D109 HydrophobicContact CZ2-CB 4.29Å; W105-D109 VanDerWaalsContact O-CB 3.23Å; W105-D109 WeakPolarHBondContact O-CB 3.45Å; W105-D109 PolarHBondContact O-N 2.89Å; W105-L341 HydrophobicContact CZ3-CD2 4.44Å; W105-I352 HydrophobicContact CH2-CG2 3.95Å; W105-I352 HydrophobicContact CZ3-CB 4.49Å; W105-I352 HydrophobicContact CZ3-CG2 3.73Å; W105-T354 VanDerWaalsContact CZ2-C 3.41Å; W105-L355 HydrophobicContact CB-CD1 3.57Å; W105-L355 HydrophobicContact CD2-CB 4.24Å; W105-L355 HydrophobicContact CG-CB 3.96Å; W105-L355 HydrophobicContact CG-CD1 3.8Å; W105-L355 HydrophobicContact CG-CG 4.45Å; W105-Y358 HydrophobicContact CE3-CD1 4.16Å; W105-Y358 AromaticContact CE3-CG 3.86Å; W105-Y358 HydrophobicContact CE3-CG 3.86Å; W105-Y358 HydrophobicContact CZ3-CG 4.3Å
106N95.7Very high88Confident69 Ų6982.1 Ų82.137%0.36941%0.406SS..Hα-helixtrans-63.6-30.5178.5-75.5-34.3000112.9T102 E103 D104 K110T102-N106 WeakPolarHBondContact O-CB 3.21Å; T102-N106 PolarHBondContact O-N 2.79Å; T102-N106 PolarHBondContact O-ND2 3.49Å; E103-N106 PolarHBondContact O-N 3.12Å; D104-N106 PolarHBondContact O-N 3.46Å; N106-K110 WeakPolarHBondContact O-CD 3.39Å; N106-K110 VanDerWaalsContact O-CG 3.29Å; N106-K110 WeakPolarHBondContact O-CG 3.36Å; N106-K110 PolarHBondContact O-N 3.26Å
107S94.3Very high86.7Confident77 Ų7780.5 Ų80.554%0.53840%0.401SS..Hα-helixtrans-68.3-51.9172.8-171.80000110.4E103 D104 W105 D109 K110 Y111E103-S107 PolarHBondContact O-N 3.17Å; D104-S107 WeakPolarHBondContact O-CB 3.03Å; D104-S107 PolarHBondContact O-N 3.21Å; D104-S107 VanDerWaalsContact O-N 3.17Å; W105-S107 PolarHBondContact O-N 2.75Å; S107-D109 PolarHBondContact O-N 3.4Å; S107-K110 PolarHBondContact O-N 3.14Å; S107-Y111 PolarHBondContact O-N 2.82Å
108I93.5Very high86Confident3 Ų381.4 Ų81.42%0.01541%0.406CS..Hα-helixtrans-61.9-42.8178.9-63.8166.5000110.8D104 W105 K110 Y111 A338 L341 R345 Y358D104-I108 VanDerWaalsContact O-CG1 3.29Å; D104-I108 WeakPolarHBondContact O-CG1 3.49Å; D104-I108 PolarHBondContact O-N 3.11Å; W105-I108 PolarHBondContact O-N 3.38Å; I108-K110 PolarHBondContact O-N 2.81Å; I108-Y111 WeakPolarHBondContact O-CB 3.28Å; I108-Y111 PolarHBondContact O-N 3.09Å; I108-A338 HydrophobicContact CD1-CB 3.66Å; I108-A338 HydrophobicContact CG1-CB 4.2Å; I108-L341 HydrophobicContact CD1-CD2 4.36Å; I108-L341 HydrophobicContact CG2-CD2 3.55Å; I108-L341 HydrophobicContact CG2-CG 3.92Å; I108-R345 PolarHBondContact O-NH1 3.02Å; I108-Y358 HydrophobicContact CD1-CE1 4.1Å; I108-Y358 HydrophobicContact CD1-CE2 3.81Å
109D93.6Very high85.4Confident84 Ų8480 Ų8045%0.44940%0.401SS..Hα-helixtrans-60.9-34.8-177.4-169.748.4000111.8W105 S107 Y111W105-D109 HydrophobicContact CZ2-CB 4.29Å; W105-D109 VanDerWaalsContact O-CB 3.23Å; W105-D109 WeakPolarHBondContact O-CB 3.45Å; W105-D109 PolarHBondContact O-N 2.89Å; S107-D109 PolarHBondContact O-N 3.4Å; D109-Y111 VanDerWaalsContact C-N 3.34Å
110K91.8Very high85.1Confident162 Ų16280.4 Ų80.470%0.70440%0.399SS*.THydrogen-bonded Turntrans-83.4-8.5175-66.5172.7-170.6169.10113.7N106 S107 I108 V112N106-K110 WeakPolarHBondContact O-CD 3.39Å; N106-K110 VanDerWaalsContact O-CG 3.29Å; N106-K110 WeakPolarHBondContact O-CG 3.36Å; N106-K110 PolarHBondContact O-N 3.26Å; S107-K110 PolarHBondContact O-N 3.14Å; I108-K110 PolarHBondContact O-N 2.81Å; K110-V112 PolarHBondContact O-N 3.3Å
111Y91.5Very high85.2Confident69 Ų6979.6 Ų79.627%0.27140%0.395SS..  trans-61.4128.2179.2-178.6-91.6000110.3S107 I108 D109 E342 R345 D346S107-Y111 PolarHBondContact O-N 2.82Å; I108-Y111 WeakPolarHBondContact O-CB 3.28Å; I108-Y111 PolarHBondContact O-N 3.09Å; D109-Y111 VanDerWaalsContact C-N 3.34Å; Y111-E342 HydrophobicContact CD1-CB 4.44Å; Y111-E342 HydrophobicContact CD1-CG 4.27Å; Y111-E342 HydrophobicContact CD2-CB 4.41Å; Y111-E342 HydrophobicContact CD2-CG 3.78Å; Y111-E342 HydrophobicContact CE1-CB 4.18Å; Y111-E342 HydrophobicContact CE1-CG 4.44Å; Y111-E342 HydrophobicContact CE2-CB 4.14Å; Y111-E342 HydrophobicContact CE2-CG 3.96Å; Y111-E342 HydrophobicContact CG-CG 3.95Å; Y111-R345 HydrophobicContact CD1-CB 4.22Å; Y111-R345 HydrophobicContact CE1-CB 4.42Å; Y111-D346 PolarHBondContact OH-OD1 3.45Å; Y111-D346 PolarHBondContact OH-OD2 3.15Å
112V82.4Confident85.2Confident117 Ų11779.6 Ų79.671%0.70940%0.396SS*.  trans-129.2122.8172.5-178.60000107.2K110 E114K110-V112 PolarHBondContact O-N 3.3Å; V112-E114 PolarHBondContact O-N 3.44Å
113S79Confident85Confident7 Ų782.7 Ų82.75%0.04941%0.405CS..  trans-60.8128.2177-178.10000111.3E115 S116 D346S113-E115 VanDerWaalsContact C-N 3.31Å; S113-E115 PolarHBondContact O-N 2.82Å; S113-S116 VanDerWaalsContact CB-OG 3.26Å; S113-S116 WeakPolarHBondContact CB-OG 3.11Å; S113-S116 WeakPolarHBondContact OG-CB 3.47Å; S113-S116 PolarHBondContact OG-OG 3.16Å; S113-D346 WeakPolarHBondContact CB-OD1 3.13Å; S113-D346 PolarHBondContact OG-OD1 3.23Å
114E76.8Confident85.1Confident178 Ų17879.6 Ų79.683%0.83239%0.392SS*.SBendtrans-67.3-32.6178.5-63.9-172.5172.300112.2V112 I117V112-E114 PolarHBondContact O-N 3.44Å; E114-I117 WeakPolarHBondContact O-CD1 3.21Å
115E68.9Low85.1Confident180 Ų18083.3 Ų83.384%0.84142%0.417SS*.SBendtrans-84.3-14.3-175.7-61.3-170.5168.600113.1S113 I117S113-E115 VanDerWaalsContact C-N 3.31Å; S113-E115 PolarHBondContact O-N 2.82Å; E115-I117 PolarHBondContact O-N 3.12Å
116S61.9Low85Confident9 Ų987.7 Ų87.76%0.06344%0.437CS..  trans-101.944.5-161.2-54.70000115.5S113 Y139 Q141 D346S113-S116 VanDerWaalsContact CB-OG 3.26Å; S113-S116 WeakPolarHBondContact CB-OG 3.11Å; S113-S116 WeakPolarHBondContact OG-CB 3.47Å; S113-S116 PolarHBondContact OG-OG 3.16Å; S116-Y139 VanDerWaalsContact CB-CE2 3.49Å; S116-Y139 WeakPolarHBondContact O-CD1 3.41Å; S116-Y139 WeakPolarHBondContact O-CE1 3.32Å; S116-Q141 PolarHBondContact OG-NE2 3.3Å; S116-Q141 VanDerWaalsContact OG-NE2 3.16Å; S116-D346 PolarHBondContact OG-O 3.06Å
117I64.5Low84.9Confident120 Ų12084.4 Ų84.462%0.61542%0.419SS*.  trans-88.2-15.7-167.7-48.5176.3000113E114 E115E114-I117 WeakPolarHBondContact O-CD1 3.21Å; E115-I117 PolarHBondContact O-N 3.12Å
118L74.8Confident84.7Confident93 Ų9387.5 Ų87.549%0.48743%0.426SS..  trans-99.5124.2-172.4-57.6178.5000112.9Y139 D140L118-Y139 WeakPolarHBondContact O-CA 3.49Å; L118-D140 HydrophobicContact CB-CB 4.28Å; L118-D140 PolarHBondContact O-N 2.72Å
119Y78.4Confident84.4Confident99 Ų9989.4 Ų89.439%0.38844%0.439SS..  trans-136.427.4176.143.2-121.8000110.9E121 G122 K123 D140Y119-E121 PolarHBondContact O-N 2.86Å; Y119-G122 PolarHBondContact O-N 3.36Å; Y119-K123 HydrophobicContact CD2-CD 3.28Å; Y119-K123 HydrophobicContact CD2-CG 3.75Å; Y119-K123 HydrophobicContact CE2-CD 3.35Å; Y119-K123 HydrophobicContact CE2-CG 4.33Å; Y119-K123 HydrophobicContact CG-CD 4.26Å; Y119-K123 HydrophobicContact CG-CG 4.47Å; Y119-K123 PolarHBondContact O-N 2.8Å; Y119-K123 PolarHBondContact OH-NZ 3.25Å; Y119-D140 PolarHBondContact N-OD2 2.77Å
120E84.2Confident84.3Confident131 Ų13186.5 Ų86.561%0.61242%0.422SS*.Hα-helixtrans-63.1-44.2-166.4-65.2-172.5170.400111.5K123 N124 D140E120-K123 PolarHBondContact O-N 3.21Å; E120-N124 PolarHBondContact O-N 3.11Å; E120-N124 VanDerWaalsContact O-N 3.16Å; E120-D140 PolarHBondContact N-OD2 3.33Å
121E91.6Very high84.3Confident56 Ų5679.8 Ų79.826%0.26239%0.394SS..Hα-helixtrans-66.7-42.6179.5-74.2-59142.900111.1Y119 K123 N124 K126 N127 Y153Y119-E121 PolarHBondContact O-N 2.86Å; E121-K123 VanDerWaalsContact C-N 3.28Å; E121-K123 PolarHBondContact O-N 2.88Å; E121-N124 WeakPolarHBondContact O-CB 3.08Å; E121-N124 PolarHBondContact O-N 2.99Å; E121-N124 VanDerWaalsContact O-N 3.1Å; E121-K126 IonicContact OE2-NZ 3.15Å; E121-K126 PolarHBondContact OE2-NZ 3.07Å; E121-K126 VanDerWaalsContact OE2-NZ 3.15Å; E121-N127 WeakPolarHBondContact O-CB 3.5Å; E121-N127 PolarHBondContact O-ND2 3.33Å; E121-Y153 HydrophobicContact CB-CD2 4.32Å
122G91.6Very high84.3Confident1 Ų177.5 Ų77.51%0.0139%0.385CS..Hα-helixtrans-69.5-2418000000114.5Y119 N131 Y153Y119-G122 PolarHBondContact O-N 3.36Å; G122-N131 PolarHBondContact O-ND2 3.34Å; G122-Y153 VanDerWaalsContact CA-CZ 3.41Å; G122-Y153 WeakPolarHBondContact CA-OH 3.44Å
123K91.5Very high84.6Confident115 Ų11575.8 Ų75.850%0.539%0.391SS..Hα-helixtrans-84.2-9.9171.4-72.9-166-178.6-179.40114Y119 E120 E121 I137Y119-K123 HydrophobicContact CD2-CD 3.28Å; Y119-K123 HydrophobicContact CD2-CG 3.75Å; Y119-K123 HydrophobicContact CE2-CD 3.35Å; Y119-K123 HydrophobicContact CE2-CG 4.33Å; Y119-K123 HydrophobicContact CG-CD 4.26Å; Y119-K123 HydrophobicContact CG-CG 4.47Å; Y119-K123 PolarHBondContact O-N 2.8Å; Y119-K123 PolarHBondContact OH-NZ 3.25Å; E120-K123 PolarHBondContact O-N 3.21Å; E121-K123 VanDerWaalsContact C-N 3.28Å; E121-K123 PolarHBondContact O-N 2.88Å; K123-I137 HydrophobicContact CB-CD1 4.5Å; K123-I137 HydrophobicContact CD-CD1 4.43Å; K123-I137 HydrophobicContact CG-CD1 3.43Å; K123-I137 VanDerWaalsContact CG-CD1 3.43Å
124N93.7Very high85.1Confident54 Ų5477.9 Ų77.929%0.28941%0.405SS..SBendtrans-60.6131.8179.7-166.5-43000110.4E120 E121 K126 N127 Q128E120-N124 PolarHBondContact O-N 3.11Å; E120-N124 VanDerWaalsContact O-N 3.16Å; E121-N124 WeakPolarHBondContact O-CB 3.08Å; E121-N124 PolarHBondContact O-N 2.99Å; E121-N124 VanDerWaalsContact O-N 3.1Å; N124-K126 HydrophobicContact CB-CG 4.26Å; N124-K126 WeakPolarHBondContact ND2-CE 3.46Å; N124-K126 PolarHBondContact O-N 3.25Å; N124-K126 WeakPolarHBondContact OD1-CG 3.36Å; N124-K126 PolarHBondContact OD1-N 3.4Å; N124-N127 WeakPolarHBondContact O-CA 3.21Å; N124-N127 WeakPolarHBondContact O-CB 3.41Å; N124-N127 PolarHBondContact O-N 2.73Å; N124-Q128 PolarHBondContact O-N 2.81Å
125P92.9Very high85.9Confident107 Ų10770 Ų7070%0.69537%0.371SS*.G310 helixtrans-51.2-33.8179.9-30.835.8000114.6N127 Q128P125-N127 PolarHBondContact O-N 3.21Å; P125-Q128 PolarHBondContact O-N 3.27Å
126K92.8Very high87.1Confident110 Ų11062.3 Ų62.348%0.47834%0.336SS..G310 helixtrans-62-25.2176.577-172.1176.6176.50113.1E121 N124E121-K126 IonicContact OE2-NZ 3.15Å; E121-K126 PolarHBondContact OE2-NZ 3.07Å; E121-K126 VanDerWaalsContact OE2-NZ 3.15Å; N124-K126 HydrophobicContact CB-CG 4.26Å; N124-K126 WeakPolarHBondContact ND2-CE 3.46Å; N124-K126 PolarHBondContact O-N 3.25Å; N124-K126 WeakPolarHBondContact OD1-CG 3.36Å; N124-K126 PolarHBondContact OD1-N 3.4Å
127N93.6Very high88.6Confident0 Ų064 Ų640%034%0.344CS..G310 helixtrans-101-9.4-174.4-72-24.6000113.6E121 N124 P125 S129 K130 N151 Y153E121-N127 WeakPolarHBondContact O-CB 3.5Å; E121-N127 PolarHBondContact O-ND2 3.33Å; N124-N127 WeakPolarHBondContact O-CA 3.21Å; N124-N127 WeakPolarHBondContact O-CB 3.41Å; N124-N127 PolarHBondContact O-N 2.73Å; P125-N127 PolarHBondContact O-N 3.21Å; N127-S129 PolarHBondContact O-N 3.45Å; N127-S129 VanDerWaalsContact O-N 3.17Å; N127-K130 WeakPolarHBondContact O-CB 3.27Å; N127-K130 PolarHBondContact O-N 2.79Å; N127-N151 PolarHBondContact OD1-ND2 3.03Å; N127-N151 PolarHBondContact OD1-OD1 3.05Å; N127-Y153 HydrophobicContact CB-CD1 3.54Å; N127-Y153 HydrophobicContact CB-CE1 3.91Å; N127-Y153 HydrophobicContact CB-CG 3.94Å; N127-Y153 VanDerWaalsContact CG-CB 3.46Å; N127-Y153 VanDerWaalsContact CG-CG 3.49Å; N127-Y153 WeakPolarHBondContact ND2-CB 3.42Å; N127-Y153 WeakPolarHBondContact OD1-CB 3.5Å
128Q89.6Confident90.1Very high143 Ų14358.3 Ų58.367%0.66832%0.315SS*.G310 helixtrans-57.4-37.2-174.5-169.1177.925.200112.8N124 P125 K130 N131N124-Q128 PolarHBondContact O-N 2.81Å; P125-Q128 PolarHBondContact O-N 3.27Å; Q128-K130 PolarHBondContact O-N 3.29Å; Q128-N131 PolarHBondContact O-N 3.03Å; Q128-N131 VanDerWaalsContact O-N 3.15Å
129S88.5Confident91.1Very high42 Ų4255 Ų5529%0.29430%0.296SS..G310 helixtrans-70.9-10.917968.50000115N127N127-S129 PolarHBondContact O-N 3.45Å; N127-S129 VanDerWaalsContact O-N 3.17Å
130K91.4Very high91.8Very high23 Ų2351.4 Ų51.410%0.128%0.284CS..G310 helixtrans-95.11.4174.6-57.8-170.5179.7-161.70112.5N127 Q128 Y153 D182N127-K130 WeakPolarHBondContact O-CB 3.27Å; N127-K130 PolarHBondContact O-N 2.79Å; Q128-K130 PolarHBondContact O-N 3.29Å; K130-Y153 HydrophobicContact CB-CD1 4.03Å; K130-Y153 HydrophobicContact CB-CE1 4.04Å; K130-Y153 HydrophobicContact CD-CD1 4.07Å; K130-Y153 VanDerWaalsContact CD-O 3.23Å; K130-Y153 WeakPolarHBondContact CD-O 3.3Å; K130-Y153 PolarHBondContact NZ-O 2.99Å; K130-D182 WeakPolarHBondContact CD-OD2 3.49Å; K130-D182 WeakPolarHBondContact CE-OD2 3.2Å; K130-D182 IonicContact NZ-OD1 3.55Å; K130-D182 IonicContact NZ-OD2 2.67Å; K130-D182 PolarHBondContact NZ-OD2 3.18Å
131N92Very high92.1Very high21 Ų2150.1 Ų50.111%0.11228%0.278CS..SBendtrans-108.4163.2176.5-67.3-41.6000111.1G122 Q128 Y153 N155G122-N131 PolarHBondContact O-ND2 3.34Å; Q128-N131 PolarHBondContact O-N 3.03Å; Q128-N131 VanDerWaalsContact O-N 3.15Å; N131-Y153 PolarHBondContact ND2-OH 3.32Å; N131-Y153 WeakPolarHBondContact OD1-CE1 3.46Å; N131-Y153 PolarHBondContact OD1-OH 3.41Å; N131-N155 PolarHBondContact OD1-ND2 2.93Å
132R91.1Very high92.3Very high21 Ų2147.9 Ų47.98%0.07927%0.268CS..  trans-120.9150.1174.1-66.2-178.172176.310.4110.5C134 A135 I173 T176 D217 S219 C309R132-C134 PolarHBondContact O-N 3.14Å; R132-A135 HydrophobicContact CB-CB 4.01Å; R132-A135 PolarHBondContact O-N 3.15Å; R132-I173 HydrophobicContact CG-CD1 4.01Å; R132-T176 HydrophobicContact CG-CG2 3.92Å; R132-D217 WeakPolarHBondContact CB-OD1 3.37Å; R132-D217 VanDerWaalsContact CZ-O 3.23Å; R132-D217 PolarHBondContact NE-O 2.95Å; R132-D217 IonicContact NE-OD1 3.58Å; R132-D217 PolarHBondContact NH2-O 3.1Å; R132-S219 PolarHBondContact NH1-OG 3.48Å; R132-S219 PolarHBondContact NH2-OG 3.31Å; R132-S219 VanDerWaalsContact NH2-OG 3.12Å; R132-C309 PolarHBondContact NH1-O 3.37Å; R132-C309 PolarHBondContact NH1-SG 2.61Å; R132-C309 PolarHBondContact NH2-SG 2.88Å
133G87.1Confident92.5Very high81 Ų8148.7 Ų48.784%0.83527%0.271SS*.THydrogen-bonded Turntrans-65.1-30.2-179.600000113.1A135 D217G133-A135 VanDerWaalsContact C-N 3.35Å; G133-D217 PolarHBondContact N-OD1 2.75Å
134C90.4Very high92.8Very high52 Ų5243.2 Ų43.235%0.35125%0.247SC..THydrogen-bonded Turntrans-82.2-10.5178.162.20000114.2R132 D310R132-C134 PolarHBondContact O-N 3.14Å; C134-D310 VanDerWaalsContact O-CB 3.28Å; C134-D310 WeakPolarHBondContact O-CB 2.97Å
135A94.1Very high92.9Very high13 Ų1345.8 Ų45.811%0.10726%0.256CS..SBendtrans-106.6140-17200000111.9R132 G133 I173 D310R132-A135 HydrophobicContact CB-CB 4.01Å; R132-A135 PolarHBondContact O-N 3.15Å; G133-A135 VanDerWaalsContact C-N 3.35Å; A135-I173 HydrophobicContact CB-CG2 3.41Å; A135-I173 VanDerWaalsContact CB-CG2 3.41Å; A135-D310 HydrophobicContact CB-CB 4.13Å
136P93.4Very high93.1Very high18 Ų1840.9 Ų40.912%0.11722%0.224CC..PPolyproline II helixtrans-70155.3170.130.7-32.5000110.7N155 C312 P349 N350P136-N155 PolarHBondContact O-ND2 3.07Å; P136-N155 PolarHBondContact O-OD1 2.64Å; P136-C312 VanDerWaalsContact CD-SG 3.58Å; P136-C312 HydrophobicContact CG-CB 4.4Å; P136-C312 WeakPolarHBondContact CG-SG 3.29Å; P136-P349 HydrophobicContact CB-CB 3.91Å; P136-P349 HydrophobicContact CB-CG 4.05Å; P136-P349 HydrophobicContact CG-CB 4.41Å; P136-P349 WeakPolarHBondContact CG-O 3.27Å; P136-N350 HydrophobicContact CG-CB 4.36Å
137I94.5Very high93.3Very high44 Ų4443.7 Ų43.723%0.22623%0.231CC..PPolyproline II helixtrans-78130.1169.8-61177.8000107.5K123 P349K123-I137 HydrophobicContact CB-CD1 4.5Å; K123-I137 HydrophobicContact CD-CD1 4.43Å; K123-I137 HydrophobicContact CG-CD1 3.43Å; K123-I137 VanDerWaalsContact CG-CD1 3.43Å; I137-P349 WeakPolarHBondContact O-CG 3.35Å
138P95.5Very high93.2Very high0 Ų048.5 Ų48.50%027%0.265CS..PPolyproline II helixtrans-66152.9178.931.6-37.3000110.5R143 Y153 S157P138-R143 HydrophobicContact CB-CB 4Å; P138-R143 HydrophobicContact CG-CB 4Å; P138-Y153 WeakPolarHBondContact CD-OH 3.49Å; P138-Y153 HydrophobicContact CG-CE2 4.13Å; P138-S157 WeakPolarHBondContact CB-OG 3.3Å
139Y94.5Very high93.2Very high23 Ų2342.9 Ų42.99%0.0925%0.245CC..PPolyproline II helixtrans-68.7144.8172.3-52.4-57.5000111.5S116 L118 Q141 S142 R143 R345 P349S116-Y139 VanDerWaalsContact CB-CE2 3.49Å; S116-Y139 WeakPolarHBondContact O-CD1 3.41Å; S116-Y139 WeakPolarHBondContact O-CE1 3.32Å; L118-Y139 WeakPolarHBondContact O-CA 3.49Å; Y139-Q141 VanDerWaalsContact CB-CD 3.45Å; Y139-Q141 VanDerWaalsContact CB-NE2 3.29Å; Y139-Q141 VanDerWaalsContact CB-OE1 3.28Å; Y139-Q141 PolarHBondContact O-N 3.28Å; Y139-S142 PolarHBondContact O-N 3.5Å; Y139-R143 VanDerWaalsContact O-CB 3.32Å; Y139-R143 WeakPolarHBondContact O-CB 3.1Å; Y139-R143 PolarHBondContact O-N 3.38Å; Y139-R345 VanDerWaalsContact CE2-O 3.3Å; Y139-R345 WeakPolarHBondContact CE2-O 3.42Å; Y139-R345 PolarHBondContact OH-O 3.01Å; Y139-P349 HydrophobicContact CD1-CG 4.04Å; Y139-P349 HydrophobicContact CD2-CG 4.41Å; Y139-P349 HydrophobicContact CE1-CB 4.3Å; Y139-P349 HydrophobicContact CE1-CG 3.54Å; Y139-P349 HydrophobicContact CE2-CG 3.93Å; Y139-P349 HydrophobicContact CG-CG 4.45Å; Y139-P349 VanDerWaalsContact CZ-CG 3.47Å
140D93.4Very high93.2Very high25 Ų2549.5 Ų49.513%0.13428%0.278CS..THydrogen-bonded Turntrans-65-27.7-177.6-75.2-34.4000113.2L118 Y119 E120 R143L118-D140 HydrophobicContact CB-CB 4.28Å; L118-D140 PolarHBondContact O-N 2.72Å; Y119-D140 PolarHBondContact N-OD2 2.77Å; E120-D140 PolarHBondContact N-OD2 3.33Å; D140-R143 IonicContact OD1-NE 3.31Å
141Q92.1Very high93.2Very high103 Ų10350 Ų5048%0.48128%0.281SS..THydrogen-bonded Turntrans-74.8-32.6178.671.7-80.9600113.5S116 Y139S116-Q141 PolarHBondContact OG-NE2 3.3Å; S116-Q141 VanDerWaalsContact OG-NE2 3.16Å; Y139-Q141 VanDerWaalsContact CB-CD 3.45Å; Y139-Q141 VanDerWaalsContact CB-NE2 3.29Å; Y139-Q141 VanDerWaalsContact CB-OE1 3.28Å; Y139-Q141 PolarHBondContact O-N 3.28Å
142S93.9Very high93.4Very high10 Ų1051.2 Ų51.27%0.0729%0.288CS..THydrogen-bonded Turntrans-106.7-11.1-175.364.30000113.4Y139 S157 L158 Q347Y139-S142 PolarHBondContact O-N 3.5Å; S142-S157 CarbonylContact O-C 3.56Å; S142-S157 WeakPolarHBondContact O-CA 3.42Å; S142-L158 PolarHBondContact O-N 2.71Å; S142-Q347 WeakPolarHBondContact CB-O 3.38Å; S142-Q347 PolarHBondContact OG-O 2.99Å
143R96Very high93.7Very high17 Ų1750.2 Ų50.26%0.06428%0.284CS..EExtended strand (participates in β ladder)trans-59.6146.9-179.571.9178.4-17982.61.1111.9P138 Y139 D140 K145 D152 A156P138-R143 HydrophobicContact CB-CB 4Å; P138-R143 HydrophobicContact CG-CB 4Å; Y139-R143 VanDerWaalsContact O-CB 3.32Å; Y139-R143 WeakPolarHBondContact O-CB 3.1Å; Y139-R143 PolarHBondContact O-N 3.38Å; D140-R143 IonicContact OD1-NE 3.31Å; R143-K145 HydrophobicContact CG-CG 4.47Å; R143-D152 IonicContact CZ-OD2 3.01Å; R143-D152 PolarHBondContact NH1-O 3.45Å; R143-D152 IonicContact NH1-OD2 3.47Å; R143-D152 PolarHBondContact NH1-OD2 3.3Å; R143-D152 IonicContact NH2-OD1 3.95Å; R143-D152 IonicContact NH2-OD2 2.76Å; R143-D152 PolarHBondContact NH2-OD2 3.43Å; R143-A156 CarbonylContact C-O 3.53Å; R143-A156 WeakPolarHBondContact CA-O 3.37Å
144V97.7Very high94.1Very high0 Ų046.7 Ų46.70%025%0.246CC..EExtended strand (participates in β ladder)trans-68.7135.3167-174.70000109I154 A156 L158 I170 M186 Q190V144-I154 HydrophobicContact CB-CG2 3.88Å; V144-I154 HydrophobicContact CG1-CG2 4.26Å; V144-A156 HydrophobicContact CB-CB 4.18Å; V144-A156 HydrophobicContact CG2-CB 3.79Å; V144-A156 PolarHBondContact N-O 3.45Å; V144-L158 HydrophobicContact CG2-CD2 4.01Å; V144-L158 HydrophobicContact CG2-CG 3.99Å; V144-I170 HydrophobicContact CG2-CD1 4.37Å; V144-I170 HydrophobicContact CG2-CG2 4.02Å; V144-M186 HydrophobicContact CB-SD 4.33Å; V144-M186 HydrophobicContact CG1-CG 3.98Å; V144-M186 HydrophobicContact CG1-SD 4.29Å; V144-M186 HydrophobicContact CG2-SD 4.06Å; V144-Q190 HydrophobicContact CG1-CG 4.16Å
145K97.1Very high94.5Very high109 Ų10944.2 Ų44.247%0.47423%0.229SC..EExtended strand (participates in β ladder)trans-110.7114.9176.8-64.2-179.7178.8176.10108.8R143 R147 D152R143-K145 HydrophobicContact CG-CG 4.47Å; K145-R147 PolarHBondContact O-N 3.27Å; K145-D152 WeakPolarHBondContact CA-O 3.38Å
146L97.6Very high94.7Very high4 Ų443.6 Ų43.62%0.02122%0.224CC..  trans-75.5119176.3-55.4176000109D152 I154 D182 L185 M186 E189L146-D152 PolarHBondContact N-O 2.9Å; L146-D152 WeakPolarHBondContact O-CA 3.25Å; L146-D152 VanDerWaalsContact O-CB 3.3Å; L146-D152 WeakPolarHBondContact O-CB 3.09Å; L146-I154 HydrophobicContact CD1-CB 4.09Å; L146-I154 HydrophobicContact CD1-CG2 4.34Å; L146-I154 HydrophobicContact CD2-CG2 4.06Å; L146-I154 HydrophobicContact CG-CB 4.32Å; L146-I154 HydrophobicContact CG-CG2 4.01Å; L146-D182 HydrophobicContact CD1-CB 3.79Å; L146-L185 HydrophobicContact CB-CD2 4.18Å; L146-L185 HydrophobicContact CD1-CD2 4.3Å; L146-L185 HydrophobicContact CD2-CD2 4.48Å; L146-L185 HydrophobicContact CD2-CG 4.33Å; L146-M186 HydrophobicContact CD2-CB 3.87Å; L146-E189 WeakPolarHBondContact CA-OE2 3.45Å
147R96Very high94.9Very high168 Ų16842.8 Ų42.863%0.63422%0.219SC*.SBendtrans-82.9-34.8-173.2-63.6-173.4-65.1-86.42.8112.8K145 E189K145-R147 PolarHBondContact O-N 3.27Å; R147-E189 VanDerWaalsContact N-CD 3.34Å; R147-E189 PolarHBondContact N-OE1 3.25Å; R147-E189 VanDerWaalsContact N-OE1 3.11Å; R147-E189 PolarHBondContact N-OE2 3.45Å; R147-E189 PolarHBondContact NH2-O 3.01Å
148S92.3Very high95Very high101 Ų10141.8 Ų41.871%0.70621%0.214SC*.SBendtrans-109.67.4-174.4-600000113.3E189S148-E189 WeakPolarHBondContact CB-OE1 3.4Å; S148-E189 PolarHBondContact N-OE1 2.68Å
149G88.1Confident95.1Very high25 Ų2541.8 Ų41.826%0.25821%0.214SC..SBendtrans-85.1156.417500000112.3N151G149-N151 PolarHBondContact O-N 3.11Å; G149-N151 VanDerWaalsContact O-N 3.14Å
150D88.9Confident95.2Very high182 Ų18243.5 Ų43.597%0.97322%0.221SC*.SBendtrans-59.3-24.4172.5-65.1-28.8000112.5
151N92.2Very high95.2Very high32 Ų3243.3 Ų43.317%0.17122%0.219CC..SBendtrans-141127.6178.5179.8-18000108N127 G149 Y153N127-N151 PolarHBondContact OD1-ND2 3.03Å; N127-N151 PolarHBondContact OD1-OD1 3.05Å; G149-N151 PolarHBondContact O-N 3.11Å; G149-N151 VanDerWaalsContact O-N 3.14Å; N151-Y153 PolarHBondContact O-N 2.96Å; N151-Y153 WeakPolarHBondContact OD1-CB 3.32Å; N151-Y153 PolarHBondContact OD1-N 3.04Å
152D95.8Very high94.9Very high48 Ų4843.8 Ų43.826%0.25723%0.23SC..  trans-75.3-6.6-173.979.6-44.6000113.8R143 K145 L146R143-D152 IonicContact CZ-OD2 3.01Å; R143-D152 PolarHBondContact NH1-O 3.45Å; R143-D152 IonicContact NH1-OD2 3.47Å; R143-D152 PolarHBondContact NH1-OD2 3.3Å; R143-D152 IonicContact NH2-OD1 3.95Å; R143-D152 IonicContact NH2-OD2 2.76Å; R143-D152 PolarHBondContact NH2-OD2 3.43Å; K145-D152 WeakPolarHBondContact CA-O 3.38Å; L146-D152 PolarHBondContact N-O 2.9Å; L146-D152 WeakPolarHBondContact O-CA 3.25Å; L146-D152 VanDerWaalsContact O-CB 3.3Å; L146-D152 WeakPolarHBondContact O-CB 3.09Å
153Y96.5Very high94.5Very high0 Ų046.6 Ų46.60%024%0.244CC..EExtended strand (participates in β ladder)trans-85.5131.7-176.6-176.5-98000113.2E121 G122 N127 K130 N131 P138 N151E121-Y153 HydrophobicContact CB-CD2 4.32Å; G122-Y153 VanDerWaalsContact CA-CZ 3.41Å; G122-Y153 WeakPolarHBondContact CA-OH 3.44Å; N127-Y153 HydrophobicContact CB-CD1 3.54Å; N127-Y153 HydrophobicContact CB-CE1 3.91Å; N127-Y153 HydrophobicContact CB-CG 3.94Å; N127-Y153 VanDerWaalsContact CG-CB 3.46Å; N127-Y153 VanDerWaalsContact CG-CG 3.49Å; N127-Y153 WeakPolarHBondContact ND2-CB 3.42Å; N127-Y153 WeakPolarHBondContact OD1-CB 3.5Å; K130-Y153 HydrophobicContact CB-CD1 4.03Å; K130-Y153 HydrophobicContact CB-CE1 4.04Å; K130-Y153 HydrophobicContact CD-CD1 4.07Å; K130-Y153 VanDerWaalsContact CD-O 3.23Å; K130-Y153 WeakPolarHBondContact CD-O 3.3Å; K130-Y153 PolarHBondContact NZ-O 2.99Å; N131-Y153 PolarHBondContact ND2-OH 3.32Å; N131-Y153 WeakPolarHBondContact OD1-CE1 3.46Å; N131-Y153 PolarHBondContact OD1-OH 3.41Å; P138-Y153 WeakPolarHBondContact CD-OH 3.49Å; P138-Y153 HydrophobicContact CG-CE2 4.13Å; N151-Y153 PolarHBondContact O-N 2.96Å; N151-Y153 WeakPolarHBondContact OD1-CB 3.32Å; N151-Y153 PolarHBondContact OD1-N 3.04Å
154I97.3Very high94Very high6 Ų650.7 Ų50.73%0.03127%0.273CS..EExtended strand (participates in β ladder)trans-140.9144.5163.6-175.8170.3000108.3V144 L146 A156 D182 M186V144-I154 HydrophobicContact CB-CG2 3.88Å; V144-I154 HydrophobicContact CG1-CG2 4.26Å; L146-I154 HydrophobicContact CD1-CB 4.09Å; L146-I154 HydrophobicContact CD1-CG2 4.34Å; L146-I154 HydrophobicContact CD2-CG2 4.06Å; L146-I154 HydrophobicContact CG-CB 4.32Å; L146-I154 HydrophobicContact CG-CG2 4.01Å; I154-A156 HydrophobicContact CG1-CB 4.38Å; I154-A156 HydrophobicContact CG2-CB 4.17Å; I154-A156 PolarHBondContact O-N 3.46Å; I154-D182 HydrophobicContact CD1-CB 4.1Å; I154-M186 HydrophobicContact CD1-CB 3.99Å; I154-M186 HydrophobicContact CD1-CE 4.36Å; I154-M186 HydrophobicContact CD1-SD 3.89Å
155N97.1Very high93.5Very high1 Ų160.9 Ų60.91%0.00531%0.311CS..EExtended strand (participates in β ladder)trans-77.774.2174.5-169.2-36.9000110.9N131 P136 T172 I173 R348N131-N155 PolarHBondContact OD1-ND2 2.93Å; P136-N155 PolarHBondContact O-ND2 3.07Å; P136-N155 PolarHBondContact O-OD1 2.64Å; N155-T172 PolarHBondContact O-OG1 2.88Å; N155-T172 VanDerWaalsContact O-OG1 3.14Å; N155-I173 HydrophobicContact CB-CD1 3.95Å; N155-I173 HydrophobicContact CB-CG1 4.16Å; N155-I173 HydrophobicContact CB-CG2 4.39Å; N155-I173 PolarHBondContact O-N 2.93Å; N155-R348 PolarHBondContact OD1-NH1 2.94Å; N155-R348 PolarHBondContact OD1-NH2 3.02Å
156A98.3Very high93.3Very high0 Ų057.8 Ų57.80%030%0.3CS..EExtended strand (participates in β ladder)trans-145.9148.9177.400000110.1R143 V144 I154 I170 A171 M186R143-A156 CarbonylContact C-O 3.53Å; R143-A156 WeakPolarHBondContact CA-O 3.37Å; V144-A156 HydrophobicContact CB-CB 4.18Å; V144-A156 HydrophobicContact CG2-CB 3.79Å; V144-A156 PolarHBondContact N-O 3.45Å; I154-A156 HydrophobicContact CG1-CB 4.38Å; I154-A156 HydrophobicContact CG2-CB 4.17Å; I154-A156 PolarHBondContact O-N 3.46Å; A156-I170 HydrophobicContact CB-CG2 3.99Å; A156-A171 CarbonylContact C-O 3.54Å; A156-A171 VanDerWaalsContact CA-O 3.29Å; A156-A171 WeakPolarHBondContact CA-O 3.47Å; A156-M186 HydrophobicContact CB-CE 4.49Å; A156-M186 HydrophobicContact CB-SD 3.52Å; A156-M186 VanDerWaalsContact CB-SD 3.52Å
157S97.9Very high93.2Very high0 Ų058.5 Ų58.50%031%0.305CS..EExtended strand (participates in β ladder)trans-124.2133.9178.9-56.80000110.8P138 S142 I170 A171 R348P138-S157 WeakPolarHBondContact CB-OG 3.3Å; S142-S157 CarbonylContact O-C 3.56Å; S142-S157 WeakPolarHBondContact O-CA 3.42Å; S157-I170 WeakPolarHBondContact O-CA 3.48Å; S157-A171 PolarHBondContact N-O 2.92Å; S157-A171 PolarHBondContact O-N 2.68Å; S157-R348 PolarHBondContact OG-NH1 3Å
158L97.6Very high93.2Very high24 Ų2452.9 Ų52.913%0.12629%0.289CS..EExtended strand (participates in β ladder)trans-72.5127.6165.2-66.7173.6000108.6S142 V144 Y160 P167 I170S142-L158 PolarHBondContact O-N 2.71Å; V144-L158 HydrophobicContact CG2-CD2 4.01Å; V144-L158 HydrophobicContact CG2-CG 3.99Å; L158-Y160 HydrophobicContact CB-CE2 3.84Å; L158-P167 HydrophobicContact CB-CB 4.08Å; L158-P167 HydrophobicContact CD2-CB 3.93Å; L158-P167 HydrophobicContact CD2-CG 3.81Å; L158-P167 HydrophobicContact CG-CB 4.5Å; L158-I170 HydrophobicContact CD2-CD1 4.04Å; L158-I170 HydrophobicContact CD2-CG1 3.79Å
159L97.6Very high93.5Very high0 Ų048.2 Ų48.20%026%0.256CS..EExtended strand (participates in β ladder)trans-117.4126.2178.3-52.4-179.5000110.5P167 V168 Y169 A171 I319 L344 Q347 R348 M351L159-P167 CarbonylContact O-C 3.57Å; L159-V168 PolarHBondContact O-N 3.34Å; L159-Y169 HydrophobicContact CB-CD2 4.32Å; L159-Y169 PolarHBondContact N-O 3.01Å; L159-Y169 PolarHBondContact O-N 3.38Å; L159-Y169 VanDerWaalsContact O-N 3.14Å; L159-A171 HydrophobicContact CD1-CB 3.63Å; L159-A171 HydrophobicContact CG-CB 4.26Å; L159-I319 HydrophobicContact CD1-CD1 3.66Å; L159-I319 HydrophobicContact CD1-CG2 4.27Å; L159-L344 HydrophobicContact CD1-CD2 4.35Å; L159-Q347 HydrophobicContact CD2-CB 3.51Å; L159-R348 HydrophobicContact CD2-CB 4.01Å; L159-M351 HydrophobicContact CD1-CE 3.84Å
160Y95.8Very high94Very high59 Ų5947 Ų4723%0.23124%0.244CC..  trans-105.6149.7-178.7-59.6-94000110L158 N163 P164 P167 H343 Q347L158-Y160 HydrophobicContact CB-CE2 3.84Å; Y160-N163 WeakPolarHBondContact CD1-O 3.22Å; Y160-P164 WeakPolarHBondContact CE1-O 3.39Å; Y160-P167 HydrophobicContact CD1-CB 4.21Å; Y160-P167 HydrophobicContact CE1-CB 3.87Å; Y160-P167 HydrophobicContact CE1-CG 4.26Å; Y160-P167 VanDerWaalsContact CE1-N 3.26Å; Y160-P167 HydrophobicContact CE2-CB 4.4Å; Y160-H343 PolarHBondContact O-NE2 2.97Å; Y160-Q347 PolarHBondContact O-NE2 3.26Å; Y160-Q347 VanDerWaalsContact O-NE2 3.08Å
161D93Very high94.4Very high20 Ų2038.4 Ų38.411%0.10720%0.197CC..SBendtrans-101.9-100.9170.5178.924.4000108.9V168 L323 R327D161-V168 HydrophobicContact CB-CG2 3.82Å; D161-L323 HydrophobicContact CB-CD1 4.43Å; D161-R327 IonicContact OD1-CZ 2.97Å; D161-R327 IonicContact OD1-NE 3.6Å; D161-R327 PolarHBondContact OD1-NE 3.28Å; D161-R327 IonicContact OD1-NH2 3.51Å; D161-R327 PolarHBondContact OD1-NH2 2.82Å
162T86.4Confident94.7Very high114 Ų11437 Ų3770%0.69919%0.19SC*.SBendtrans-97.8-24.7-178.456.90000114.3P164T162-P164 WeakPolarHBondContact O-CD 3.45Å
163N85.4Confident94.8Very high69 Ų6934.9 Ų34.937%0.36918%0.179SC..  trans-98.8107.9-179.4-176.4-12.1000110.1Y160 R165 N166Y160-N163 WeakPolarHBondContact CD1-O 3.22Å; N163-R165 PolarHBondContact O-N 2.88Å; N163-R165 VanDerWaalsContact O-N 3.09Å; N163-R165 WeakPolarHBondContact OD1-CB 3.5Å; N163-R165 PolarHBondContact OD1-N 2.75Å; N163-N166 PolarHBondContact ND2-ND2 3.43Å; N163-N166 PolarHBondContact O-N 2.92Å
164P85.5Confident94.8Very high103 Ų10334.9 Ų34.967%0.66918%0.179SC*.THydrogen-bonded Turntrans-71.2-5.7-176.230.4-36.9000113.8Y160 T162Y160-P164 WeakPolarHBondContact CE1-O 3.39Å; T162-P164 WeakPolarHBondContact O-CD 3.45Å
165R88Confident94.7Very high213 Ų21334.7 Ų34.780%0.80418%0.178SC*.THydrogen-bonded Turntrans-93.7-19.3178.9-60.6-176.2-175151.12.6113.3N163N163-R165 PolarHBondContact O-N 2.88Å; N163-R165 VanDerWaalsContact O-N 3.09Å; N163-R165 WeakPolarHBondContact OD1-CB 3.5Å; N163-R165 PolarHBondContact OD1-N 2.75Å
166N91.4Very high94.4Very high44 Ų4434.6 Ų34.624%0.23518%0.178CC..SBendtrans-129.4104.2-168.8-62.9-4.5000109.3N163 V168 M301N163-N166 PolarHBondContact ND2-ND2 3.43Å; N163-N166 PolarHBondContact O-N 2.92Å; N166-V168 PolarHBondContact O-N 2.9Å; N166-M301 HydrophobicContact CB-CG 4.4Å; N166-M301 WeakPolarHBondContact ND2-CG 3.06Å; N166-M301 WeakPolarHBondContact OD1-CE 3.44Å
167P95.6Very high94Very high20 Ų2036 Ų3613%0.1319%0.186CC..  trans-64.6139.417627.9-33.2000109.5L158 L159 Y160 P303L158-P167 HydrophobicContact CB-CB 4.08Å; L158-P167 HydrophobicContact CD2-CB 3.93Å; L158-P167 HydrophobicContact CD2-CG 3.81Å; L158-P167 HydrophobicContact CG-CB 4.5Å; L159-P167 CarbonylContact O-C 3.57Å; Y160-P167 HydrophobicContact CD1-CB 4.21Å; Y160-P167 HydrophobicContact CE1-CB 3.87Å; Y160-P167 HydrophobicContact CE1-CG 4.26Å; Y160-P167 VanDerWaalsContact CE1-N 3.26Å; Y160-P167 HydrophobicContact CE2-CB 4.4Å; P167-P303 HydrophobicContact CB-CB 4.39Å; P167-P303 HydrophobicContact CG-CB 4.36Å; P167-P303 HydrophobicContact CG-CG 4.24Å
168V96Very high93.6Very high49 Ų4940.9 Ų40.930%0.29721%0.207SC..SBendtrans-89.7-36177.2-174.30000110L159 D161 N166 P303 I304L159-V168 PolarHBondContact O-N 3.34Å; D161-V168 HydrophobicContact CB-CG2 3.82Å; N166-V168 PolarHBondContact O-N 2.9Å; V168-P303 VanDerWaalsContact O-CA 3.3Å; V168-P303 WeakPolarHBondContact O-CA 3.43Å; V168-I304 PolarHBondContact O-N 3.07Å
169Y98.2Very high93.3Very high4 Ų440 Ų402%0.01620%0.203CC..EExtended strand (participates in β ladder)trans-132.4158.2-178.2-42.4-85.1000111.3L159 I304 V306 I319 D322 L323L159-Y169 HydrophobicContact CB-CD2 4.32Å; L159-Y169 PolarHBondContact N-O 3.01Å; L159-Y169 PolarHBondContact O-N 3.38Å; L159-Y169 VanDerWaalsContact O-N 3.14Å; Y169-I304 CarbonylContact C-O 3.45Å; Y169-I304 WeakPolarHBondContact CA-O 3.4Å; Y169-I304 HydrophobicContact CD1-CB 4.15Å; Y169-I304 HydrophobicContact CD1-CD1 3.67Å; Y169-I304 HydrophobicContact CD1-CG1 4.07Å; Y169-I304 HydrophobicContact CE1-CD1 3.55Å; Y169-I304 HydrophobicContact CE1-CG1 4.36Å; Y169-V306 HydrophobicContact CD1-CG2 4.35Å; Y169-I319 HydrophobicContact CD1-CG1 4.29Å; Y169-I319 HydrophobicContact CD2-CG2 3.75Å; Y169-I319 HydrophobicContact CE2-CG2 3.86Å; Y169-I319 HydrophobicContact CG-CD1 4.25Å; Y169-I319 HydrophobicContact CG-CG1 4.3Å; Y169-I319 HydrophobicContact CG-CG2 4.12Å; Y169-D322 WeakPolarHBondContact CE1-OD2 3.44Å; Y169-D322 PolarHBondContact OH-OD2 3.34Å; Y169-L323 HydrophobicContact CE2-CB 4.4Å; Y169-L323 HydrophobicContact CE2-CD1 4.42Å; Y169-L323 PolarHBondContact OH-N 3.05Å
170I98.7Very high93.2Very high0 Ų040 Ų400%020%0.203CC..EExtended strand (participates in β ladder)trans-116.8115.8158.4-64.2-179.2000106.5V144 A156 S157 L158 M186 Q190 P303 I304 V305 V306V144-I170 HydrophobicContact CG2-CD1 4.37Å; V144-I170 HydrophobicContact CG2-CG2 4.02Å; A156-I170 HydrophobicContact CB-CG2 3.99Å; S157-I170 WeakPolarHBondContact O-CA 3.48Å; L158-I170 HydrophobicContact CD2-CD1 4.04Å; L158-I170 HydrophobicContact CD2-CG1 3.79Å; I170-M186 HydrophobicContact CD1-CG 4.35Å; I170-M186 HydrophobicContact CD1-SD 4.44Å; I170-M186 HydrophobicContact CG2-CE 3.98Å; I170-M186 HydrophobicContact CG2-SD 3.68Å; I170-Q190 HydrophobicContact CD1-CB 3.74Å; I170-Q190 HydrophobicContact CD1-CG 3.66Å; I170-P303 HydrophobicContact CD1-CG 3.85Å; I170-P303 HydrophobicContact CG1-CB 4.03Å; I170-P303 HydrophobicContact CG1-CG 3.89Å; I170-I304 PolarHBondContact N-O 2.75Å; I170-V305 HydrophobicContact CB-CG2 4.36Å; I170-V305 CarbonylContact O-C 3.52Å; I170-V305 WeakPolarHBondContact O-CA 3.34Å; I170-V306 PolarHBondContact O-N 2.82Å
171A98.8Very high93.2Very high0 Ų039.4 Ų39.40%021%0.206CC..EExtended strand (participates in β ladder)trans-93.4123.2170.200000109.2A156 S157 L159 V306 T315 I319A156-A171 CarbonylContact C-O 3.54Å; A156-A171 VanDerWaalsContact CA-O 3.29Å; A156-A171 WeakPolarHBondContact CA-O 3.47Å; S157-A171 PolarHBondContact N-O 2.92Å; S157-A171 PolarHBondContact O-N 2.68Å; L159-A171 HydrophobicContact CD1-CB 3.63Å; L159-A171 HydrophobicContact CG-CB 4.26Å; A171-V306 WeakPolarHBondContact CA-O 3.08Å; A171-T315 HydrophobicContact CB-CG2 3.78Å; A171-I319 HydrophobicContact CB-CD1 4.02Å
172T98.6Very high93.4Very high2 Ų239.5 Ų39.51%0.01221%0.207CC..EExtended strand (participates in β ladder)trans-139.1158.2-176.5-175.50000111.2N155 F183 M186 V305 V306 H307 G311N155-T172 PolarHBondContact O-OG1 2.88Å; N155-T172 VanDerWaalsContact O-OG1 3.14Å; T172-F183 HydrophobicContact CG2-CD2 4.38Å; T172-F183 HydrophobicContact CG2-CE2 3.99Å; T172-M186 HydrophobicContact CG2-CE 4.09Å; T172-V305 HydrophobicContact CG2-CG1 3.8Å; T172-V306 PolarHBondContact N-O 2.88Å; T172-V306 VanDerWaalsContact N-O 3.14Å; T172-H307 HydrophobicContact CG2-CB 3.61Å; T172-H307 WeakPolarHBondContact O-CA 3.18Å; T172-H307 WeakPolarHBondContact O-CB 3.46Å; T172-G311 WeakPolarHBondContact O-CA 3.42Å
173I97Very high94Very high4 Ų434.2 Ų34.22%0.02117%0.174CC..EExtended strand (participates in β ladder)trans-66154.3167.762.2171.6000110.8R132 A135 N155 C308R132-I173 HydrophobicContact CG-CD1 4.01Å; A135-I173 HydrophobicContact CB-CG2 3.41Å; A135-I173 VanDerWaalsContact CB-CG2 3.41Å; N155-I173 HydrophobicContact CB-CD1 3.95Å; N155-I173 HydrophobicContact CB-CG1 4.16Å; N155-I173 HydrophobicContact CB-CG2 4.39Å; N155-I173 PolarHBondContact O-N 2.93Å; I173-C308 CarbonylContact C-O 3.59Å
174T96.5Very high94.6Very high0 Ų030.9 Ų30.90%016%0.157CC..PPolyproline II helixtrans-57.1128.6162.7-61.30000108.4E199 L204 H307 C308 C309T174-E199 HydrophobicContact CG2-CG 4.42Å; T174-E199 PolarHBondContact OG1-OE2 3.04Å; T174-L204 HydrophobicContact CG2-CD2 3.54Å; T174-H307 PolarHBondContact OG1-ND1 3.03Å; T174-C308 PolarHBondContact N-O 2.86Å; T174-C308 PolarHBondContact OG1-O 3.46Å; T174-C308 VanDerWaalsContact OG1-O 3.09Å; T174-C309 PolarHBondContact OG1-N 3.05Å
175P94.8Very high95.2Very high2 Ų227 Ų271%0.01313%0.13CC..PPolyproline II helixtrans-55.6143.3-179.2-28.336.8000112.6V180 F183 V220 Y222P175-V180 HydrophobicContact CB-CG2 4.01Å; P175-F183 HydrophobicContact CB-CB 4.29Å; P175-F183 HydrophobicContact CB-CG 4.48Å; P175-F183 HydrophobicContact CG-CB 3.75Å; P175-F183 HydrophobicContact CG-CD1 4.06Å; P175-F183 HydrophobicContact CG-CD2 3.42Å; P175-F183 VanDerWaalsContact CG-CD2 3.42Å; P175-F183 HydrophobicContact CG-CE2 3.95Å; P175-F183 HydrophobicContact CG-CG 3.46Å; P175-F183 VanDerWaalsContact CG-CG 3.46Å; P175-F183 HydrophobicContact CG-CZ 4.48Å; P175-V220 WeakPolarHBondContact O-CG2 3.37Å; P175-V220 PolarHBondContact O-N 2.99Å; P175-V220 VanDerWaalsContact O-N 3.11Å; P175-Y222 HydrophobicContact CB-CD1 4.43Å; P175-Y222 HydrophobicContact CG-CD1 3.74Å; P175-Y222 HydrophobicContact CG-CE1 4.33Å; P175-Y222 HydrophobicContact CG-CG 4.12Å
176T91.9Very high95.7Very high0 Ų016.9 Ų16.90%09%0.092CC..PPolyproline II helixtrans-96.8168.2166.969.20000108.5R132 K178 S179 V180R132-T176 HydrophobicContact CG-CG2 3.92Å; T176-K178 PolarHBondContact O-N 2.95Å; T176-S179 PolarHBondContact N-OG 2.88Å; T176-S179 PolarHBondContact O-N 3.16Å; T176-S179 PolarHBondContact O-OG 2.9Å; T176-S179 PolarHBondContact OG1-OG 3.17Å; T176-V180 WeakPolarHBondContact O-CG2 3.27Å; T176-V180 PolarHBondContact O-N 3.45Å
177V89.9Confident96Very high29 Ų2914.9 Ų14.918%0.1768%0.081CC..THydrogen-bonded Turntrans-48-42178.4179.90000112.1M207 I210 L215 V220V177-M207 HydrophobicContact CG1-CE 4.33Å; V177-M207 HydrophobicContact CG1-CG 3.98Å; V177-M207 HydrophobicContact CG1-SD 4.01Å; V177-M207 HydrophobicContact CG2-CG 4.14Å; V177-I210 HydrophobicContact CG2-CB 4.45Å; V177-I210 HydrophobicContact CG2-CD1 3.35Å; V177-I210 HydrophobicContact CG2-CG1 4.49Å; V177-I210 HydrophobicContact CG2-CG2 4.14Å; V177-L215 HydrophobicContact CB-CD2 4.39Å; V177-L215 HydrophobicContact CG1-CD2 4.3Å; V177-L215 HydrophobicContact CG2-CD2 4.21Å; V177-V220 HydrophobicContact CG2-CG1 3.78Å
178K88.2Confident96.1Very high102 Ų10215.2 Ų15.244%0.4438%0.08SC..THydrogen-bonded Turntrans-77.4-27.8-177.6-69.3-177.8177.1170.30113.8T176 N216T176-K178 PolarHBondContact O-N 2.95Å; K178-N216 WeakPolarHBondContact CD-OD1 3.45Å; K178-N216 WeakPolarHBondContact CE-OD1 3.29Å; K178-N216 PolarHBondContact NZ-OD1 2.95Å
179S92.8Very high96.1Very high6 Ų613.8 Ų13.84%0.0427%0.07CC..THydrogen-bonded Turntrans-99.1-2.8-176.666.30000114.1T176 D182 F183T176-S179 PolarHBondContact N-OG 2.88Å; T176-S179 PolarHBondContact O-N 3.16Å; T176-S179 PolarHBondContact O-OG 2.9Å; T176-S179 PolarHBondContact OG1-OG 3.17Å; S179-D182 WeakPolarHBondContact O-CB 3.39Å; S179-D182 PolarHBondContact O-N 3.43Å; S179-F183 WeakPolarHBondContact O-CB 3.38Å; S179-F183 PolarHBondContact O-N 2.98Å
180V95.2Very high96Very high1 Ų115.4 Ų15.41%0.0068%0.077CC..Hα-helixtrans-54.8-45.3173.7-175.10000112.8P175 T176 D182 F183 W184 V220 Y231P175-V180 HydrophobicContact CB-CG2 4.01Å; T176-V180 WeakPolarHBondContact O-CG2 3.27Å; T176-V180 PolarHBondContact O-N 3.45Å; V180-D182 VanDerWaalsContact C-N 3.34Å; V180-D182 PolarHBondContact O-N 2.86Å; V180-F183 WeakPolarHBondContact O-CB 3.37Å; V180-F183 PolarHBondContact O-N 3.49Å; V180-W184 PolarHBondContact O-N 3.17Å; V180-V220 HydrophobicContact CG2-CG2 3.42Å; V180-V220 VanDerWaalsContact CG2-CG2 3.42Å; V180-Y231 HydrophobicContact CB-CD1 4.25Å; V180-Y231 HydrophobicContact CG1-CD1 3.3Å; V180-Y231 HydrophobicContact CG1-CD2 4.5Å; V180-Y231 HydrophobicContact CG1-CE1 3.78Å; V180-Y231 HydrophobicContact CG1-CG 3.71Å
181P96.1Very high95.7Very high45 Ų4516.7 Ų16.729%0.2929%0.091SC..Hα-helixtrans-60.6-43.1176.5-24.936.8000112.8F183 W184 L185P181-F183 VanDerWaalsContact C-N 3.33Å; P181-F183 PolarHBondContact O-N 2.97Å; P181-W184 PolarHBondContact O-N 3.03Å; P181-L185 WeakPolarHBondContact O-CB 3.34Å; P181-L185 PolarHBondContact O-N 2.93Å
182D97.3Very high95.6Very high23 Ų2316.7 Ų16.712%0.1239%0.091CC..Hα-helixtrans-64.7-37.2178-69.6-27.6000112K130 L146 I154 S179 V180 L185 M186K130-D182 WeakPolarHBondContact CD-OD2 3.49Å; K130-D182 WeakPolarHBondContact CE-OD2 3.2Å; K130-D182 IonicContact NZ-OD1 3.55Å; K130-D182 IonicContact NZ-OD2 2.67Å; K130-D182 PolarHBondContact NZ-OD2 3.18Å; L146-D182 HydrophobicContact CD1-CB 3.79Å; I154-D182 HydrophobicContact CD1-CB 4.1Å; S179-D182 WeakPolarHBondContact O-CB 3.39Å; S179-D182 PolarHBondContact O-N 3.43Å; V180-D182 VanDerWaalsContact C-N 3.34Å; V180-D182 PolarHBondContact O-N 2.86Å; D182-L185 PolarHBondContact O-N 3.08Å; D182-M186 WeakPolarHBondContact O-CB 3.45Å; D182-M186 PolarHBondContact O-N 3.03Å
183F98.1Very high95.4Very high2 Ų217.8 Ų17.81%0.00910%0.098CC..Hα-helixtrans-60.7-48.7176.4176.8-92.6000111T172 P175 S179 V180 P181 M186 V187 I195 Y222 V305T172-F183 HydrophobicContact CG2-CD2 4.38Å; T172-F183 HydrophobicContact CG2-CE2 3.99Å; P175-F183 HydrophobicContact CB-CB 4.29Å; P175-F183 HydrophobicContact CB-CG 4.48Å; P175-F183 HydrophobicContact CG-CB 3.75Å; P175-F183 HydrophobicContact CG-CD1 4.06Å; P175-F183 HydrophobicContact CG-CD2 3.42Å; P175-F183 VanDerWaalsContact CG-CD2 3.42Å; P175-F183 HydrophobicContact CG-CE2 3.95Å; P175-F183 HydrophobicContact CG-CG 3.46Å; P175-F183 VanDerWaalsContact CG-CG 3.46Å; P175-F183 HydrophobicContact CG-CZ 4.48Å; S179-F183 WeakPolarHBondContact O-CB 3.38Å; S179-F183 PolarHBondContact O-N 2.98Å; V180-F183 WeakPolarHBondContact O-CB 3.37Å; V180-F183 PolarHBondContact O-N 3.49Å; P181-F183 VanDerWaalsContact C-N 3.33Å; P181-F183 PolarHBondContact O-N 2.97Å; F183-M186 HydrophobicContact CD2-CE 3.96Å; F183-M186 HydrophobicContact CE2-CE 4.17Å; F183-M186 WeakPolarHBondContact O-CB 3.41Å; F183-M186 PolarHBondContact O-N 3.44Å; F183-V187 HydrophobicContact CD1-CG2 4.3Å; F183-V187 HydrophobicContact CE1-CG2 3.97Å; F183-V187 HydrophobicContact CZ-CG2 4.25Å; F183-V187 WeakPolarHBondContact O-CG2 3.25Å; F183-V187 PolarHBondContact O-N 3.28Å; F183-I195 HydrophobicContact CE1-CD1 4.02Å; F183-I195 HydrophobicContact CZ-CD1 4.07Å; F183-I195 HydrophobicContact CZ-CG2 4.27Å; F183-Y222 AromaticContact CD1-CD2 3.98Å; F183-Y222 HydrophobicContact CD1-CD2 3.98Å; F183-Y222 HydrophobicContact CD1-CE2 4.39Å; F183-Y222 HydrophobicContact CD1-CG 4.29Å; F183-Y222 AromaticContact CE1-CD2 3.48Å; F183-Y222 HydrophobicContact CE1-CD2 3.48Å; F183-Y222 VanDerWaalsContact CE1-CD2 3.48Å; F183-Y222 AromaticContact CE1-CE2 3.46Å; F183-Y222 HydrophobicContact CE1-CE2 3.46Å; F183-Y222 VanDerWaalsContact CE1-CE2 3.46Å; F183-Y222 HydrophobicContact CE1-CG 4.09Å; F183-Y222 HydrophobicContact CZ-CD2 4.2Å; F183-Y222 HydrophobicContact CZ-CE1 4.4Å; F183-Y222 AromaticContact CZ-CE2 3.81Å; F183-Y222 HydrophobicContact CZ-CE2 3.81Å; F183-Y222 AromaticContact CZ-CZ 3.89Å; F183-V305 HydrophobicContact CE2-CG1 3.91Å; F183-V305 HydrophobicContact CZ-CG1 4.15Å
184W98.3Very high95.4Very high0 Ų017.7 Ų17.70%010%0.097CC..Hα-helixtrans-69-34.6177.6-73.9115.5000112.8V180 P181 M186 V187 W188 I195 Y222 Y231 F234 V236 F253 L255V180-W184 PolarHBondContact O-N 3.17Å; P181-W184 PolarHBondContact O-N 3.03Å; W184-M186 VanDerWaalsContact C-N 3.33Å; W184-V187 HydrophobicContact CE3-CB 4.21Å; W184-V187 HydrophobicContact CE3-CG1 4.29Å; W184-V187 HydrophobicContact CE3-CG2 4.32Å; W184-V187 HydrophobicContact CZ3-CG1 4.32Å; W184-V187 PolarHBondContact O-N 3.23Å; W184-W188 WeakPolarHBondContact O-CB 3.29Å; W184-W188 PolarHBondContact O-N 2.8Å; W184-I195 HydrophobicContact CH2-CD1 4.15Å; W184-I195 HydrophobicContact CZ3-CD1 4.11Å; W184-Y222 VanDerWaalsContact CE2-O 3.28Å; W184-Y222 HydrophobicContact CH2-CD2 4.41Å; W184-Y222 AromaticContact CZ2-CD2 3.67Å; W184-Y222 HydrophobicContact CZ2-CD2 3.67Å; W184-Y222 HydrophobicContact CZ2-CE2 4.24Å; W184-Y222 VanDerWaalsContact CZ2-O 3.24Å; W184-Y222 WeakPolarHBondContact CZ2-O 3.35Å; W184-Y222 PolarHBondContact NE1-O 2.96Å; W184-Y231 AromaticContact CD1-CD2 3.7Å; W184-Y231 AromaticContact CD1-CG 3.8Å; W184-Y231 AromaticContact NE1-CD2 3.51Å; W184-Y231 AromaticContact NE1-CE2 3.91Å; W184-Y231 AromaticContact NE1-CG 3.97Å; W184-F234 HydrophobicContact CB-CB 4.36Å; W184-F234 HydrophobicContact CB-CD2 4.02Å; W184-F234 HydrophobicContact CB-CG 4.34Å; W184-V236 HydrophobicContact CD2-CG2 3.84Å; W184-V236 HydrophobicContact CE3-CG2 4.32Å; W184-V236 HydrophobicContact CG-CG2 4.26Å; W184-V236 HydrophobicContact CH2-CG1 4.07Å; W184-V236 HydrophobicContact CH2-CG2 4.28Å; W184-V236 HydrophobicContact CZ2-CB 4.44Å; W184-V236 HydrophobicContact CZ2-CG1 3.85Å; W184-V236 HydrophobicContact CZ2-CG2 3.79Å; W184-F253 AromaticContact CH2-CD2 3.93Å; W184-F253 HydrophobicContact CH2-CD2 3.93Å; W184-F253 HydrophobicContact CH2-CE2 4.28Å; W184-F253 HydrophobicContact CH2-CG 4.48Å; W184-L255 HydrophobicContact CD2-CD1 4.26Å; W184-L255 HydrophobicContact CE3-CD1 3.77Å; W184-L255 HydrophobicContact CE3-CD2 4.05Å; W184-L255 HydrophobicContact CZ3-CD1 4.28Å; W184-L255 HydrophobicContact CZ3-CD2 4.38Å
185L98.2Very high95.5Very high22 Ų2217.7 Ų17.712%0.11510%0.097CC..Hα-helixtrans-61-42.5170.9-178.360.9000111.6L146 P181 D182 W188 E189 F234L146-L185 HydrophobicContact CB-CD2 4.18Å; L146-L185 HydrophobicContact CD1-CD2 4.3Å; L146-L185 HydrophobicContact CD2-CD2 4.48Å; L146-L185 HydrophobicContact CD2-CG 4.33Å; P181-L185 WeakPolarHBondContact O-CB 3.34Å; P181-L185 PolarHBondContact O-N 2.93Å; D182-L185 PolarHBondContact O-N 3.08Å; L185-W188 PolarHBondContact O-N 3.43Å; L185-E189 HydrophobicContact CD1-CG 3.92Å; L185-E189 HydrophobicContact CG-CG 4.31Å; L185-E189 WeakPolarHBondContact O-CB 3.41Å; L185-E189 WeakPolarHBondContact O-CG 3.31Å; L185-E189 PolarHBondContact O-N 2.97Å; L185-F234 HydrophobicContact CB-CE2 3.96Å; L185-F234 HydrophobicContact CD1-CE2 3.85Å; L185-F234 HydrophobicContact CD1-CZ 4.02Å
186M98.4Very high95.6Very high0 Ų017.6 Ų17.60%010%0.096CC..Hα-helixtrans-60.1-51.4173.7174-178.676.100111.6V144 L146 I154 A156 I170 T172 D182 F183 W184 W188 E189 Q190 V305V144-M186 HydrophobicContact CB-SD 4.33Å; V144-M186 HydrophobicContact CG1-CG 3.98Å; V144-M186 HydrophobicContact CG1-SD 4.29Å; V144-M186 HydrophobicContact CG2-SD 4.06Å; L146-M186 HydrophobicContact CD2-CB 3.87Å; I154-M186 HydrophobicContact CD1-CB 3.99Å; I154-M186 HydrophobicContact CD1-CE 4.36Å; I154-M186 HydrophobicContact CD1-SD 3.89Å; A156-M186 HydrophobicContact CB-CE 4.49Å; A156-M186 HydrophobicContact CB-SD 3.52Å; A156-M186 VanDerWaalsContact CB-SD 3.52Å; I170-M186 HydrophobicContact CD1-CG 4.35Å; I170-M186 HydrophobicContact CD1-SD 4.44Å; I170-M186 HydrophobicContact CG2-CE 3.98Å; I170-M186 HydrophobicContact CG2-SD 3.68Å; T172-M186 HydrophobicContact CG2-CE 4.09Å; D182-M186 WeakPolarHBondContact O-CB 3.45Å; D182-M186 PolarHBondContact O-N 3.03Å; F183-M186 HydrophobicContact CD2-CE 3.96Å; F183-M186 HydrophobicContact CE2-CE 4.17Å; F183-M186 WeakPolarHBondContact O-CB 3.41Å; F183-M186 PolarHBondContact O-N 3.44Å; W184-M186 VanDerWaalsContact C-N 3.33Å; M186-W188 PolarHBondContact O-N 3.36Å; M186-E189 PolarHBondContact O-N 2.87Å; M186-Q190 HydrophobicContact CG-CG 4.16Å; M186-Q190 VanDerWaalsContact O-CB 3.3Å; M186-Q190 WeakPolarHBondContact O-CB 3.35Å; M186-Q190 VanDerWaalsContact O-CG 3.27Å; M186-Q190 WeakPolarHBondContact O-CG 3.4Å; M186-Q190 PolarHBondContact O-N 3.38Å; M186-V305 HydrophobicContact CE-CG1 4.12Å; M186-V305 HydrophobicContact CE-CG2 4.42Å
187V98.1Very high95.9Very high1 Ų117.6 Ų17.61%0.00610%0.096CC..Hα-helixtrans-54.4-43.4178.2173.40000110.3F183 W184 G191 C192 I195 L255 V266 V305F183-V187 HydrophobicContact CD1-CG2 4.3Å; F183-V187 HydrophobicContact CE1-CG2 3.97Å; F183-V187 HydrophobicContact CZ-CG2 4.25Å; F183-V187 WeakPolarHBondContact O-CG2 3.25Å; F183-V187 PolarHBondContact O-N 3.28Å; W184-V187 HydrophobicContact CE3-CB 4.21Å; W184-V187 HydrophobicContact CE3-CG1 4.29Å; W184-V187 HydrophobicContact CE3-CG2 4.32Å; W184-V187 HydrophobicContact CZ3-CG1 4.32Å; W184-V187 PolarHBondContact O-N 3.23Å; V187-G191 PolarHBondContact O-N 3.24Å; V187-C192 HydrophobicContact CB-CB 4.49Å; V187-C192 HydrophobicContact CG1-CB 4Å; V187-C192 WeakPolarHBondContact CG1-O 3.35Å; V187-C192 PolarHBondContact O-N 2.77Å; V187-I195 HydrophobicContact CG2-CD1 4.21Å; V187-L255 HydrophobicContact CG1-CD2 4.22Å; V187-V266 HydrophobicContact CG1-CG1 4.3Å; V187-V266 HydrophobicContact CG1-CG2 4.1Å; V187-V305 HydrophobicContact CG2-CG2 4.23Å
188W96.8Very high96.3Very high27 Ų2716.2 Ų16.210%0.1029%0.088CC..Hα-helixtrans-66-53.6177.3-174.7-95.5000113W184 L185 M186 Q190 G191 F234 L255 E262 R264W184-W188 WeakPolarHBondContact O-CB 3.29Å; W184-W188 PolarHBondContact O-N 2.8Å; L185-W188 PolarHBondContact O-N 3.43Å; M186-W188 PolarHBondContact O-N 3.36Å; W188-Q190 VanDerWaalsContact C-N 3.28Å; W188-Q190 PolarHBondContact O-N 2.95Å; W188-G191 PolarHBondContact O-N 2.83Å; W188-F234 HydrophobicContact CB-CE1 3.63Å; W188-F234 HydrophobicContact CB-CE2 4.32Å; W188-F234 HydrophobicContact CB-CZ 3.47Å; W188-F234 VanDerWaalsContact CB-CZ 3.47Å; W188-F234 AromaticContact CD1-CE1 3.94Å; W188-F234 AromaticContact CD1-CZ 3.79Å; W188-F234 HydrophobicContact CD2-CD1 4.36Å; W188-F234 AromaticContact CD2-CE1 3.41Å; W188-F234 HydrophobicContact CD2-CE1 3.41Å; W188-F234 VanDerWaalsContact CD2-CE1 3.41Å; W188-F234 HydrophobicContact CD2-CZ 4.03Å; W188-F234 HydrophobicContact CE3-CD1 4.18Å; W188-F234 AromaticContact CE3-CE1 3.66Å; W188-F234 HydrophobicContact CE3-CE1 3.66Å; W188-F234 AromaticContact CG-CE1 3.37Å; W188-F234 HydrophobicContact CG-CE1 3.37Å; W188-F234 AromaticContact CG-CZ 3.46Å; W188-F234 HydrophobicContact CG-CZ 3.46Å; W188-F234 VanDerWaalsContact CG-CZ 3.46Å; W188-F234 HydrophobicContact CZ3-CE1 4.46Å; W188-L255 HydrophobicContact CE3-CD2 3.79Å; W188-L255 HydrophobicContact CE3-CG 4.04Å; W188-L255 HydrophobicContact CZ3-CD2 4.48Å; W188-L255 HydrophobicContact CZ3-CG 4.36Å; W188-E262 HydrophobicContact CH2-CB 3.66Å; W188-E262 WeakPolarHBondContact CH2-O 3.36Å; W188-E262 HydrophobicContact CZ2-CB 3.85Å; W188-R264 HydrophobicContact CE3-CG 4.29Å; W188-R264 HydrophobicContact CH2-CG 4.06Å; W188-R264 HydrophobicContact CZ3-CB 4.22Å; W188-R264 HydrophobicContact CZ3-CG 3.65Å; W188-R264 PolarHBondContact O-NH1 3.44Å
189E96.6Very high96.6Very high19 Ų1911.5 Ų11.59%0.0897%0.068CC..Hα-helixtrans-67.6-28.4-174.2-76.3-173174.600113.8L146 R147 S148 L185 M186L146-E189 WeakPolarHBondContact CA-OE2 3.45Å; R147-E189 VanDerWaalsContact N-CD 3.34Å; R147-E189 PolarHBondContact N-OE1 3.25Å; R147-E189 VanDerWaalsContact N-OE1 3.11Å; R147-E189 PolarHBondContact N-OE2 3.45Å; R147-E189 PolarHBondContact NH2-O 3.01Å; S148-E189 WeakPolarHBondContact CB-OE1 3.4Å; S148-E189 PolarHBondContact N-OE1 2.68Å; L185-E189 HydrophobicContact CD1-CG 3.92Å; L185-E189 HydrophobicContact CG-CG 4.31Å; L185-E189 WeakPolarHBondContact O-CB 3.41Å; L185-E189 WeakPolarHBondContact O-CG 3.31Å; L185-E189 PolarHBondContact O-N 2.97Å; M186-E189 PolarHBondContact O-N 2.87Å
190Q95.6Very high96.6Very high38 Ų3812.7 Ų12.718%0.1787%0.071CC..THydrogen-bonded Turntrans-91-1.3179.7-59.2-60.3-39.800112.8V144 I170 M186 W188 C192V144-Q190 HydrophobicContact CG1-CG 4.16Å; I170-Q190 HydrophobicContact CD1-CB 3.74Å; I170-Q190 HydrophobicContact CD1-CG 3.66Å; M186-Q190 HydrophobicContact CG-CG 4.16Å; M186-Q190 VanDerWaalsContact O-CB 3.3Å; M186-Q190 WeakPolarHBondContact O-CB 3.35Å; M186-Q190 VanDerWaalsContact O-CG 3.27Å; M186-Q190 WeakPolarHBondContact O-CG 3.4Å; M186-Q190 PolarHBondContact O-N 3.38Å; W188-Q190 VanDerWaalsContact C-N 3.28Å; W188-Q190 PolarHBondContact O-N 2.95Å; Q190-C192 PolarHBondContact O-N 2.75Å
191G93.7Very high96.4Very high27 Ų2715.4 Ų15.428%0.2789%0.088SC..THydrogen-bonded Turntrans68.321.7178.700000113.6V187 W188 V193 S302V187-G191 PolarHBondContact O-N 3.24Å; W188-G191 PolarHBondContact O-N 2.83Å; G191-V193 PolarHBondContact O-N 2.76Å; G191-S302 WeakPolarHBondContact O-CB 3.43Å; G191-S302 PolarHBondContact O-OG 3.34Å; G191-S302 VanDerWaalsContact O-OG 3.14Å
192C95.6Very high96.1Very high1 Ų118.8 Ų18.81%0.00710%0.103CC..  trans-69.6127.5-176.8-64.30000111V187 Q190 P303 V305V187-C192 HydrophobicContact CB-CB 4.49Å; V187-C192 HydrophobicContact CG1-CB 4Å; V187-C192 WeakPolarHBondContact CG1-O 3.35Å; V187-C192 PolarHBondContact O-N 2.77Å; Q190-C192 PolarHBondContact O-N 2.75Å; C192-P303 PolarHBondContact SG-O 3.22Å; C192-P303 VanDerWaalsContact SG-O 3.33Å; C192-V305 HydrophobicContact CB-CG2 3.78Å; C192-V305 VanDerWaalsContact SG-CG2 3.57Å
193V94.3Very high95.8Very high25 Ų2520.3 Ų20.315%0.15211%0.11CC..  trans-113.3-4.4174.5-59.40000113.5G191 V266 T267 S302G191-V193 PolarHBondContact O-N 2.76Å; V193-V266 WeakPolarHBondContact O-CA 3.26Å; V193-T267 PolarHBondContact O-N 2.77Å; V193-S302 PolarHBondContact N-OG 3.47Å
194V96.5Very high95.6Very high1 Ų120.6 Ų20.61%0.00611%0.111CC..EExtended strand (participates in β ladder)trans-128.7130.7178.1-176.20000110.4T267 F269 V293 S296 R298 I304 V305V194-T267 CarbonylContact C-O 3.53Å; V194-T267 WeakPolarHBondContact CA-O 3.33Å; V194-F269 HydrophobicContact CG1-CD2 3.79Å; V194-F269 HydrophobicContact CG1-CE2 3.86Å; V194-V293 HydrophobicContact CG1-CG1 4.23Å; V194-S296 WeakPolarHBondContact CG2-OG 3.49Å; V194-R298 HydrophobicContact CG2-CG 4.14Å; V194-I304 HydrophobicContact CB-CG2 4.22Å; V194-I304 HydrophobicContact CG1-CG2 3.89Å; V194-V305 PolarHBondContact O-N 3.48Å
195I98.5Very high95.3Very high0 Ų024 Ų240%013%0.126CC..EExtended strand (participates in β ladder)trans-119.7133.7172.1-52.8177.6000108.8F183 W184 V187 Y222 V266 T267 Q268 F269 V305F183-I195 HydrophobicContact CE1-CD1 4.02Å; F183-I195 HydrophobicContact CZ-CD1 4.07Å; F183-I195 HydrophobicContact CZ-CG2 4.27Å; W184-I195 HydrophobicContact CH2-CD1 4.15Å; W184-I195 HydrophobicContact CZ3-CD1 4.11Å; V187-I195 HydrophobicContact CG2-CD1 4.21Å; I195-Y222 HydrophobicContact CD1-CE2 4.32Å; I195-Y222 WeakPolarHBondContact CG2-OH 3.33Å; I195-V266 HydrophobicContact CD1-CG1 3.72Å; I195-V266 HydrophobicContact CG1-CG1 3.78Å; I195-T267 PolarHBondContact N-O 3Å; I195-Q268 HydrophobicContact CB-CB 4.28Å; I195-Q268 HydrophobicContact CB-CG 4.33Å; I195-Q268 HydrophobicContact CG2-CG 4.41Å; I195-Q268 CarbonylContact O-C 3.55Å; I195-Q268 WeakPolarHBondContact O-CA 3.36Å; I195-F269 PolarHBondContact O-N 2.93Å; I195-V305 CarbonylContact C-O 3.54Å; I195-V305 WeakPolarHBondContact CA-O 3.45Å; I195-V305 HydrophobicContact CG1-CB 4.28Å; I195-V305 HydrophobicContact CG2-CB 4.34Å; I195-V305 HydrophobicContact CG2-CG1 4.33Å
196V98.5Very high94.8Very high0 Ų027.4 Ų27.40%014%0.138CC..EExtended strand (participates in β ladder)trans-111.8109171.5175.40000107.8L198 F269 F289 V293 I304 V305 V306 H307 Y318V196-L198 HydrophobicContact CG1-CD1 4.34Å; V196-L198 HydrophobicContact CG1-CD2 3.77Å; V196-L198 HydrophobicContact CG1-CG 3.89Å; V196-F269 CarbonylContact C-O 3.52Å; V196-F269 WeakPolarHBondContact CA-O 3.45Å; V196-F269 HydrophobicContact CG2-CB 4.47Å; V196-F289 HydrophobicContact CG1-CE1 3.77Å; V196-F289 HydrophobicContact CG1-CZ 3.97Å; V196-V293 HydrophobicContact CG2-CG1 3.85Å; V196-V293 HydrophobicContact CG2-CG2 3.98Å; V196-I304 HydrophobicContact CG2-CG2 3.76Å; V196-V305 PolarHBondContact N-O 2.79Å; V196-V306 HydrophobicContact CB-CB 4.41Å; V196-V306 HydrophobicContact CB-CG1 4.15Å; V196-V306 HydrophobicContact CB-CG2 4.19Å; V196-V306 HydrophobicContact CG1-CG1 4.07Å; V196-V306 WeakPolarHBondContact O-CA 3.16Å; V196-H307 PolarHBondContact O-N 3.47Å; V196-Y318 HydrophobicContact CB-CE1 4.47Å; V196-Y318 HydrophobicContact CG1-CD1 4.28Å; V196-Y318 HydrophobicContact CG1-CE1 4.03Å; V196-Y318 HydrophobicContact CG1-CE2 4.26Å; V196-Y318 HydrophobicContact CG2-CE1 4.21Å
197C98.3Very high94.2Very high0 Ų031.2 Ų31.20%016%0.157CC..EExtended strand (participates in β ladder)trans-97.9113.5176.2-179.70000109.1E199 Q268 F269 H270 Y271 H307C197-E199 PolarHBondContact SG-O 3.35Å; C197-Q268 HydrophobicContact CB-CG 4.33Å; C197-F269 PolarHBondContact N-O 3.24Å; C197-H270 HydrophobicContact CB-CB 4.05Å; C197-H270 WeakPolarHBondContact O-CA 3.5Å; C197-H270 PolarHBondContact SG-CD2 2.68Å; C197-Y271 PolarHBondContact O-N 2.94Å; C197-H307 WeakPolarHBondContact CA-NE2 3.47Å; C197-H307 VanDerWaalsContact CB-NE2 3.35Å; C197-H307 WeakPolarHBondContact CB-NE2 3.43Å; C197-H307 PolarHBondContact SG-CE1 2.89Å; C197-H307 PolarHBondContact SG-NE2 2.88Å
198L97.2Very high93.5Very high0 Ų037 Ų370%019%0.187CC..  trans-106.6-1-179.8-56.7163.1000112.1V196 W274 M286 F289 V306 H307 C308 R314 Y318V196-L198 HydrophobicContact CG1-CD1 4.34Å; V196-L198 HydrophobicContact CG1-CD2 3.77Å; V196-L198 HydrophobicContact CG1-CG 3.89Å; L198-W274 HydrophobicContact CB-CE3 4.3Å; L198-W274 HydrophobicContact CB-CZ3 4.41Å; L198-W274 HydrophobicContact CD1-CZ3 4Å; L198-W274 HydrophobicContact CD2-CE3 3.94Å; L198-W274 HydrophobicContact CD2-CZ3 3.87Å; L198-W274 HydrophobicContact CG-CZ3 4.29Å; L198-M286 HydrophobicContact CD2-CE 4.43Å; L198-F289 HydrophobicContact CD2-CE1 4.39Å; L198-V306 HydrophobicContact CD1-CG1 3.62Å; L198-V306 HydrophobicContact CG-CG1 4.5Å; L198-H307 WeakPolarHBondContact CB-O 3.38Å; L198-H307 PolarHBondContact N-O 3.4Å; L198-C308 HydrophobicContact CB-CB 4.15Å; L198-R314 HydrophobicContact CB-CB 4.22Å; L198-R314 HydrophobicContact CD1-CB 4.46Å; L198-R314 PolarHBondContact O-NE 3.2Å; L198-R314 PolarHBondContact O-NH1 2.77Å; L198-Y318 HydrophobicContact CD1-CG 4.09Å; L198-Y318 HydrophobicContact CD2-CD2 4.23Å; L198-Y318 HydrophobicContact CD2-CG 4.4Å
199E94.1Very high93Very high4 Ų441 Ų412%0.01921%0.207CC..SBendtrans-76.2132.4166.6-169.182-91.900108.7T174 C197 E203 L204 S219 H270 C309 R314T174-E199 HydrophobicContact CG2-CG 4.42Å; T174-E199 PolarHBondContact OG1-OE2 3.04Å; C197-E199 PolarHBondContact SG-O 3.35Å; E199-E203 HydrophobicContact CG-CB 3.76Å; E199-E203 WeakPolarHBondContact OE1-CB 3.31Å; E199-E203 VanDerWaalsContact OE1-CD 3.24Å; E199-L204 HydrophobicContact CB-CD1 4.36Å; E199-L204 HydrophobicContact CB-CD2 4.25Å; E199-L204 HydrophobicContact CB-CG 4.21Å; E199-L204 HydrophobicContact CG-CD1 4.32Å; E199-L204 HydrophobicContact CG-CD2 3.78Å; E199-L204 HydrophobicContact CG-CG 3.67Å; E199-S219 PolarHBondContact OE2-OG 3.14Å; E199-H270 PolarHBondContact O-CD2 3.43Å; E199-H270 VanDerWaalsContact O-CD2 3.24Å; E199-H270 PolarHBondContact O-NE2 2.79Å; E199-C309 WeakPolarHBondContact OE2-CA 3.28Å; E199-C309 WeakPolarHBondContact OE2-CB 3.31Å; E199-C309 PolarHBondContact OE2-N 3.45Å; E199-R314 IonicContact OE1-CZ 3.93Å; E199-R314 IonicContact OE1-NH2 3.25Å; E199-R314 PolarHBondContact OE1-NH2 2.75Å
200R93.5Very high92.4Very high30 Ų3041 Ų4111%0.11321%0.208CC..  trans-75.4163.8-178.9-57.2-171.4-48.7-76.3-7.8111.5D202 E203 L204 L272R200-D202 VanDerWaalsContact C-N 3.34Å; R200-D202 WeakPolarHBondContact CB-OD1 3.33Å; R200-D202 IonicContact CZ-OD1 3.55Å; R200-D202 IonicContact CZ-OD2 3.27Å; R200-D202 IonicContact NE-OD1 3.97Å; R200-D202 PolarHBondContact NE-OD1 2.98Å; R200-D202 IonicContact NE-OD2 3.61Å; R200-D202 PolarHBondContact NE-OD2 3.23Å; R200-D202 IonicContact NH2-OD1 3.34Å; R200-D202 IonicContact NH2-OD2 2.8Å; R200-D202 PolarHBondContact NH2-OD2 2.93Å; R200-D202 PolarHBondContact O-N 3.34Å; R200-E203 HydrophobicContact CB-CG 4.15Å; R200-E203 WeakPolarHBondContact CB-OE2 3.45Å; R200-E203 WeakPolarHBondContact CG-OE2 3.38Å; R200-E203 IonicContact CZ-OE1 2.68Å; R200-E203 IonicContact CZ-OE2 3.5Å; R200-E203 PolarHBondContact N-OE2 2.83Å; R200-E203 IonicContact NE-OE2 3.68Å; R200-E203 IonicContact NH1-OE1 2.75Å; R200-E203 PolarHBondContact NH1-OE1 3.5Å; R200-E203 IonicContact NH1-OE2 3.29Å; R200-E203 PolarHBondContact NH1-OE2 3.01Å; R200-E203 VanDerWaalsContact NH2-CG 3.25Å; R200-E203 IonicContact NH2-OE1 3.05Å; R200-E203 PolarHBondContact NH2-OE1 3.3Å; R200-E203 IonicContact NH2-OE2 3.03Å; R200-E203 WeakPolarHBondContact O-CB 3.36Å; R200-E203 PolarHBondContact O-N 3.49Å; R200-E203 VanDerWaalsContact O-N 3.09Å; R200-L204 WeakPolarHBondContact O-CG 3.24Å; R200-L204 PolarHBondContact O-N 3.01Å; R200-L272 WeakPolarHBondContact CD-O 3.47Å; R200-L272 VanDerWaalsContact CG-O 3.24Å; R200-L272 WeakPolarHBondContact CG-O 3.38Å
201T90.8Very high91.9Very high58 Ų5844.4 Ų44.436%0.35623%0.227SC..G310 helixtrans-64.7-35.8-179.4-65.10000113.2E203 L204 H270 L272T201-E203 PolarHBondContact O-N 2.9Å; T201-L204 PolarHBondContact O-N 3.01Å; T201-H270 PolarHBondContact OG1-CE1 2.99Å; T201-L272 VanDerWaalsContact OG1-CD2 3.31Å; T201-L272 WeakPolarHBondContact OG1-CD2 3.47Å
202D89.3Confident91.2Very high116 Ų11651 Ų5162%0.6225%0.25SS*.G310 helixtrans-70.5-16.3176.359.6-49.7000113.1R200R200-D202 VanDerWaalsContact C-N 3.34Å; R200-D202 WeakPolarHBondContact CB-OD1 3.33Å; R200-D202 IonicContact CZ-OD1 3.55Å; R200-D202 IonicContact CZ-OD2 3.27Å; R200-D202 IonicContact NE-OD1 3.97Å; R200-D202 PolarHBondContact NE-OD1 2.98Å; R200-D202 IonicContact NE-OD2 3.61Å; R200-D202 PolarHBondContact NE-OD2 3.23Å; R200-D202 IonicContact NH2-OD1 3.34Å; R200-D202 IonicContact NH2-OD2 2.8Å; R200-D202 PolarHBondContact NH2-OD2 2.93Å; R200-D202 PolarHBondContact O-N 3.34Å
203E91.6Very high90.5Very high56 Ų5660.4 Ų60.426%0.26229%0.292SS..G310 helixtrans-92.7-10.2177-60.1176.1137.500112.2E199 R200 T201 S219 R314E199-E203 HydrophobicContact CG-CB 3.76Å; E199-E203 WeakPolarHBondContact OE1-CB 3.31Å; E199-E203 VanDerWaalsContact OE1-CD 3.24Å; R200-E203 HydrophobicContact CB-CG 4.15Å; R200-E203 WeakPolarHBondContact CB-OE2 3.45Å; R200-E203 WeakPolarHBondContact CG-OE2 3.38Å; R200-E203 IonicContact CZ-OE1 2.68Å; R200-E203 IonicContact CZ-OE2 3.5Å; R200-E203 PolarHBondContact N-OE2 2.83Å; R200-E203 IonicContact NE-OE2 3.68Å; R200-E203 IonicContact NH1-OE1 2.75Å; R200-E203 PolarHBondContact NH1-OE1 3.5Å; R200-E203 IonicContact NH1-OE2 3.29Å; R200-E203 PolarHBondContact NH1-OE2 3.01Å; R200-E203 VanDerWaalsContact NH2-CG 3.25Å; R200-E203 IonicContact NH2-OE1 3.05Å; R200-E203 PolarHBondContact NH2-OE1 3.3Å; R200-E203 IonicContact NH2-OE2 3.03Å; R200-E203 WeakPolarHBondContact O-CB 3.36Å; R200-E203 PolarHBondContact O-N 3.49Å; R200-E203 VanDerWaalsContact O-N 3.09Å; T201-E203 PolarHBondContact O-N 2.9Å; E203-S219 VanDerWaalsContact O-CB 3.23Å; E203-S219 WeakPolarHBondContact O-CB 3.43Å; E203-R314 IonicContact OE1-NH1 2.68Å; E203-R314 IonicContact OE1-NH2 2.87Å; E203-R314 IonicContact OE2-CZ 3.1Å; E203-R314 IonicContact OE2-NH1 3.98Å; E203-R314 PolarHBondContact OE2-NH1 3.27Å; E203-R314 IonicContact OE2-NH2 3.01Å; E203-R314 PolarHBondContact OE2-NH2 3.4Å
204L93.7Very high89.8Confident7 Ų762.4 Ų62.44%0.03730%0.299CS..  trans-106.8106.1-176.7-71.4165.3000111.3T174 E199 R200 T201 K221 W223T174-L204 HydrophobicContact CG2-CD2 3.54Å; E199-L204 HydrophobicContact CB-CD1 4.36Å; E199-L204 HydrophobicContact CB-CD2 4.25Å; E199-L204 HydrophobicContact CB-CG 4.21Å; E199-L204 HydrophobicContact CG-CD1 4.32Å; E199-L204 HydrophobicContact CG-CD2 3.78Å; E199-L204 HydrophobicContact CG-CG 3.67Å; R200-L204 WeakPolarHBondContact O-CG 3.24Å; R200-L204 PolarHBondContact O-N 3.01Å; T201-L204 PolarHBondContact O-N 3.01Å; L204-K221 HydrophobicContact CB-CG 3.89Å; L204-W223 HydrophobicContact CD1-CH2 3.57Å; L204-W223 HydrophobicContact CD1-CZ2 4.4Å; L204-W223 HydrophobicContact CD1-CZ3 4.3Å
205K91.5Very high88.9Confident72 Ų7265 Ų6531%0.31331%0.313SS..BIsolated β-bridgetrans-75.4149.9177-64.2-169.6174-171.50111.7I210 E214 A218 S219 V220 K221K205-I210 HydrophobicContact CB-CD1 4.27Å; K205-I210 HydrophobicContact CB-CG1 3.95Å; K205-I210 HydrophobicContact CD-CG1 4.22Å; K205-E214 IonicContact NZ-OE1 3.24Å; K205-E214 PolarHBondContact NZ-OE1 2.94Å; K205-E214 IonicContact NZ-OE2 3.84Å; K205-E214 PolarHBondContact NZ-OE2 3.46Å; K205-A218 HydrophobicContact CD-CB 4.35Å; K205-S219 PolarHBondContact N-O 3.45Å; K205-V220 CarbonylContact O-C 3.57Å; K205-V220 WeakPolarHBondContact O-CA 3.21Å; K205-K221 PolarHBondContact O-N 2.88Å
206R89Confident87.8Confident93 Ų9368.5 Ų68.535%0.35133%0.331SS..  trans-75.9151.6165.3-53174.258115.20.6109.7D208 E209 I210 K221 N225R206-D208 WeakPolarHBondContact CB-OD1 3.4Å; R206-D208 IonicContact NE-OD1 3.83Å; R206-D208 PolarHBondContact NE-OD1 2.83Å; R206-D208 VanDerWaalsContact NE-OD1 3.14Å; R206-D208 IonicContact NE-OD2 3.5Å; R206-D208 IonicContact NH2-OD2 2.64Å; R206-D208 PolarHBondContact O-N 2.8Å; R206-E209 HydrophobicContact CB-CB 4.46Å; R206-E209 HydrophobicContact CB-CG 3.95Å; R206-E209 WeakPolarHBondContact CB-OE2 3.09Å; R206-E209 VanDerWaalsContact CD-OE1 3.26Å; R206-E209 WeakPolarHBondContact CD-OE1 3.08Å; R206-E209 HydrophobicContact CG-CG 4.44Å; R206-E209 WeakPolarHBondContact CG-OE2 3.36Å; R206-E209 PolarHBondContact N-OE2 2.84Å; R206-E209 WeakPolarHBondContact O-CB 3.5Å; R206-E209 PolarHBondContact O-N 2.76Å; R206-I210 WeakPolarHBondContact O-CG1 3.04Å; R206-K221 HydrophobicContact CG-CD 4.31Å; R206-N225 VanDerWaalsContact CZ-ND2 3.27Å; R206-N225 PolarHBondContact NH1-ND2 3.4Å
207M84.4Confident87.2Confident81 Ų8172.2 Ų72.240%0.39935%0.352SS..G310 helixtrans-64.2-27.8-175.6-152.8154.4108.700112.9V177 E209V177-M207 HydrophobicContact CG1-CE 4.33Å; V177-M207 HydrophobicContact CG1-CG 3.98Å; V177-M207 HydrophobicContact CG1-SD 4.01Å; V177-M207 HydrophobicContact CG2-CG 4.14Å; M207-E209 VanDerWaalsContact C-N 3.33Å
208D83.9Confident86.7Confident121 Ų12172.7 Ų72.765%0.64736%0.355SS*.G310 helixtrans-78.7-10.1175.354.2-38.8000114.4R206R206-D208 WeakPolarHBondContact CB-OD1 3.4Å; R206-D208 IonicContact NE-OD1 3.83Å; R206-D208 PolarHBondContact NE-OD1 2.83Å; R206-D208 VanDerWaalsContact NE-OD1 3.14Å; R206-D208 IonicContact NE-OD2 3.5Å; R206-D208 IonicContact NH2-OD2 2.64Å; R206-D208 PolarHBondContact O-N 2.8Å
209E86.7Confident86.5Confident112 Ų11273.1 Ų73.152%0.52336%0.358SS..G310 helixtrans-98.40.3179-64.4168.2164.800112.9R206 M207R206-E209 HydrophobicContact CB-CB 4.46Å; R206-E209 HydrophobicContact CB-CG 3.95Å; R206-E209 WeakPolarHBondContact CB-OE2 3.09Å; R206-E209 VanDerWaalsContact CD-OE1 3.26Å; R206-E209 WeakPolarHBondContact CD-OE1 3.08Å; R206-E209 HydrophobicContact CG-CG 4.44Å; R206-E209 WeakPolarHBondContact CG-OE2 3.36Å; R206-E209 PolarHBondContact N-OE2 2.84Å; R206-E209 WeakPolarHBondContact O-CB 3.5Å; R206-E209 PolarHBondContact O-N 2.76Å; M207-E209 VanDerWaalsContact C-N 3.33Å
210I84.8Confident86.5Confident20 Ų2073 Ų7310%0.10336%0.358CS..  trans-94.4119.2-171-65.6167.1000110.3V177 K205 R206 E214 L215 A218 V220V177-I210 HydrophobicContact CG2-CB 4.45Å; V177-I210 HydrophobicContact CG2-CD1 3.35Å; V177-I210 HydrophobicContact CG2-CG1 4.49Å; V177-I210 HydrophobicContact CG2-CG2 4.14Å; K205-I210 HydrophobicContact CB-CD1 4.27Å; K205-I210 HydrophobicContact CB-CG1 3.95Å; K205-I210 HydrophobicContact CD-CG1 4.22Å; R206-I210 WeakPolarHBondContact O-CG1 3.04Å; I210-E214 HydrophobicContact CG2-CB 4.05Å; I210-L215 HydrophobicContact CG2-CD2 4.06Å; I210-A218 HydrophobicContact CD1-CB 4.2Å; I210-A218 HydrophobicContact CG1-CB 4.3Å; I210-A218 HydrophobicContact CG2-CB 4.39Å; I210-V220 HydrophobicContact CD1-CB 4Å; I210-V220 HydrophobicContact CD1-CG1 3.15Å
211D84.2Confident86.6Confident108 Ų10873.1 Ų73.158%0.57836%0.359SS*.  trans-72.3156172.8-70.7-37.2000111.5F213 E214D211-F213 PolarHBondContact O-N 2.87Å; D211-E214 PolarHBondContact O-N 2.72Å
212Q79.9Confident86.9Confident165 Ų16570.4 Ų70.477%0.77134%0.342SS*.THydrogen-bonded Turntrans-54.5-30.5-178.1-69.4-175.62.700113.7E214 L215Q212-E214 VanDerWaalsContact C-N 3.3Å; Q212-E214 PolarHBondContact O-N 2.86Å; Q212-L215 HydrophobicContact CB-CD1 4.39Å; Q212-L215 WeakPolarHBondContact O-CD1 3.25Å; Q212-L215 WeakPolarHBondContact O-CG 3.03Å
213F79.5Confident87.2Confident200 Ų20065 Ų6588%0.87731%0.313SS*.THydrogen-bonded Turntrans-74-19.6-179.3-59.4-76.4000113.5D211D211-F213 PolarHBondContact O-N 2.87Å
214E80.2Confident87.4Confident67 Ų6762.5 Ų62.531%0.31330%0.302SS..THydrogen-bonded Turntrans-103.2-4-175.4-60.4-173.3111.700113.1K205 I210 D211 Q212 N216 D217 A218K205-E214 IonicContact NZ-OE1 3.24Å; K205-E214 PolarHBondContact NZ-OE1 2.94Å; K205-E214 IonicContact NZ-OE2 3.84Å; K205-E214 PolarHBondContact NZ-OE2 3.46Å; I210-E214 HydrophobicContact CG2-CB 4.05Å; D211-E214 PolarHBondContact O-N 2.72Å; Q212-E214 VanDerWaalsContact C-N 3.3Å; Q212-E214 PolarHBondContact O-N 2.86Å; E214-N216 PolarHBondContact O-N 3.39Å; E214-D217 PolarHBondContact O-N 3.49Å; E214-A218 HydrophobicContact CB-CB 4.1Å; E214-A218 WeakPolarHBondContact O-CB 3.36Å; E214-A218 PolarHBondContact O-N 2.64Å
215L76.8Confident87.2Confident56 Ų5665.3 Ų65.329%0.29332%0.317SS..THydrogen-bonded Turntrans-51.4-32.3-172.2-74.8171.6000115.2V177 I210 Q212V177-L215 HydrophobicContact CB-CD2 4.39Å; V177-L215 HydrophobicContact CG1-CD2 4.3Å; V177-L215 HydrophobicContact CG2-CD2 4.21Å; I210-L215 HydrophobicContact CG2-CD2 4.06Å; Q212-L215 HydrophobicContact CB-CD1 4.39Å; Q212-L215 WeakPolarHBondContact O-CD1 3.25Å; Q212-L215 WeakPolarHBondContact O-CG 3.03Å
216N76.8Confident87.1Confident72 Ų7269.9 Ų69.939%0.38534%0.339SS..THydrogen-bonded Turntrans-97.7-9.2-175.9-57.5-37.5000113.6K178 E214K178-N216 WeakPolarHBondContact CD-OD1 3.45Å; K178-N216 WeakPolarHBondContact CE-OD1 3.29Å; K178-N216 PolarHBondContact NZ-OD1 2.95Å; E214-N216 PolarHBondContact O-N 3.39Å
217D84.3Confident87.2Confident79 Ų7967.8 Ų67.842%0.42235%0.347SS..THydrogen-bonded Turntrans-134-12.2-171.8-159.449.8000114.4R132 G133 E214 S219R132-D217 WeakPolarHBondContact CB-OD1 3.37Å; R132-D217 VanDerWaalsContact CZ-O 3.23Å; R132-D217 PolarHBondContact NE-O 2.95Å; R132-D217 IonicContact NE-OD1 3.58Å; R132-D217 PolarHBondContact NH2-O 3.1Å; G133-D217 PolarHBondContact N-OD1 2.75Å; E214-D217 PolarHBondContact O-N 3.49Å; D217-S219 PolarHBondContact O-N 3.12Å
218A89.3Confident87.7Confident10 Ų1066.5 Ų66.58%0.08335%0.346CS..  trans-6713317300000111.7K205 I210 E214 V220K205-A218 HydrophobicContact CD-CB 4.35Å; I210-A218 HydrophobicContact CD1-CB 4.2Å; I210-A218 HydrophobicContact CG1-CB 4.3Å; I210-A218 HydrophobicContact CG2-CB 4.39Å; E214-A218 HydrophobicContact CB-CB 4.1Å; E214-A218 WeakPolarHBondContact O-CB 3.36Å; E214-A218 PolarHBondContact O-N 2.64Å; A218-V220 HydrophobicContact CB-CG1 4.34Å; A218-V220 WeakPolarHBondContact O-CG1 3.4Å
219S92.4Very high88.3Confident9 Ų964 Ų646%0.06333%0.33CS..  trans-69.9122.9163.8-76.90000108.6R132 E199 E203 K205 D217R132-S219 PolarHBondContact NH1-OG 3.48Å; R132-S219 PolarHBondContact NH2-OG 3.31Å; R132-S219 VanDerWaalsContact NH2-OG 3.12Å; E199-S219 PolarHBondContact OE2-OG 3.14Å; E203-S219 VanDerWaalsContact O-CB 3.23Å; E203-S219 WeakPolarHBondContact O-CB 3.43Å; K205-S219 PolarHBondContact N-O 3.45Å; D217-S219 PolarHBondContact O-N 3.12Å
220V94.1Very high88.8Confident0 Ų062.6 Ų62.60%033%0.329CS..BIsolated β-bridgetrans-119.7148-174.5-40.10000112.5P175 V177 V180 K205 I210 A218 Y222P175-V220 WeakPolarHBondContact O-CG2 3.37Å; P175-V220 PolarHBondContact O-N 2.99Å; P175-V220 VanDerWaalsContact O-N 3.11Å; V177-V220 HydrophobicContact CG2-CG1 3.78Å; V180-V220 HydrophobicContact CG2-CG2 3.42Å; V180-V220 VanDerWaalsContact CG2-CG2 3.42Å; K205-V220 CarbonylContact O-C 3.57Å; K205-V220 WeakPolarHBondContact O-CA 3.21Å; I210-V220 HydrophobicContact CD1-CB 4Å; I210-V220 HydrophobicContact CD1-CG1 3.15Å; A218-V220 HydrophobicContact CB-CG1 4.34Å; A218-V220 WeakPolarHBondContact O-CG1 3.4Å; V220-Y222 PolarHBondContact O-N 3.47Å
221K95.4Very high89.3Confident34 Ų3462 Ų6215%0.14833%0.326CS..  trans-64.1120.1166-67.3-176.7179.6178.30108.9L204 K205 R206 W223 N225L204-K221 HydrophobicContact CB-CG 3.89Å; K205-K221 PolarHBondContact O-N 2.88Å; R206-K221 HydrophobicContact CG-CD 4.31Å; K221-W223 HydrophobicContact CG-CH2 4.47Å; K221-W223 HydrophobicContact CG-CZ2 4.2Å; K221-N225 PolarHBondContact NZ-OD1 3.5Å
222Y96.7Very high89.8Confident0 Ų059.1 Ų59.10%032%0.322CS..  trans-98.717.7178.755-95.4000112.5P175 F183 W184 I195 V220 Y231 Q268 H307P175-Y222 HydrophobicContact CB-CD1 4.43Å; P175-Y222 HydrophobicContact CG-CD1 3.74Å; P175-Y222 HydrophobicContact CG-CE1 4.33Å; P175-Y222 HydrophobicContact CG-CG 4.12Å; F183-Y222 AromaticContact CD1-CD2 3.98Å; F183-Y222 HydrophobicContact CD1-CD2 3.98Å; F183-Y222 HydrophobicContact CD1-CE2 4.39Å; F183-Y222 HydrophobicContact CD1-CG 4.29Å; F183-Y222 AromaticContact CE1-CD2 3.48Å; F183-Y222 HydrophobicContact CE1-CD2 3.48Å; F183-Y222 VanDerWaalsContact CE1-CD2 3.48Å; F183-Y222 AromaticContact CE1-CE2 3.46Å; F183-Y222 HydrophobicContact CE1-CE2 3.46Å; F183-Y222 VanDerWaalsContact CE1-CE2 3.46Å; F183-Y222 HydrophobicContact CE1-CG 4.09Å; F183-Y222 HydrophobicContact CZ-CD2 4.2Å; F183-Y222 HydrophobicContact CZ-CE1 4.4Å; F183-Y222 AromaticContact CZ-CE2 3.81Å; F183-Y222 HydrophobicContact CZ-CE2 3.81Å; F183-Y222 AromaticContact CZ-CZ 3.89Å; W184-Y222 VanDerWaalsContact CE2-O 3.28Å; W184-Y222 HydrophobicContact CH2-CD2 4.41Å; W184-Y222 AromaticContact CZ2-CD2 3.67Å; W184-Y222 HydrophobicContact CZ2-CD2 3.67Å; W184-Y222 HydrophobicContact CZ2-CE2 4.24Å; W184-Y222 VanDerWaalsContact CZ2-O 3.24Å; W184-Y222 WeakPolarHBondContact CZ2-O 3.35Å; W184-Y222 PolarHBondContact NE1-O 2.96Å; I195-Y222 HydrophobicContact CD1-CE2 4.32Å; I195-Y222 WeakPolarHBondContact CG2-OH 3.33Å; V220-Y222 PolarHBondContact O-N 3.47Å; Y222-Y231 WeakPolarHBondContact O-CE2 3.49Å; Y222-Q268 PolarHBondContact OH-NE2 3.45Å; Y222-H307 AromaticContact CE1-CE1 3.58Å; Y222-H307 AromaticContact CE1-NE2 3.39Å; Y222-H307 WeakPolarHBondContact CE1-NE2 3.49Å; Y222-H307 AromaticContact CZ-NE2 3.41Å; Y222-H307 PolarHBondContact OH-NE2 3.36Å
223W97Very high90.6Very high3 Ų354.3 Ų54.31%0.01131%0.306CS..SBendtrans-138.9154.2179.464.690.6000110.8L204 K221 Y231 R251 F253L204-W223 HydrophobicContact CD1-CH2 3.57Å; L204-W223 HydrophobicContact CD1-CZ2 4.4Å; L204-W223 HydrophobicContact CD1-CZ3 4.3Å; K221-W223 HydrophobicContact CG-CH2 4.47Å; K221-W223 HydrophobicContact CG-CZ2 4.2Å; W223-Y231 VanDerWaalsContact CA-OH 3.29Å; W223-Y231 WeakPolarHBondContact CA-OH 3.38Å; W223-Y231 PolarHBondContact N-OH 3Å; W223-Y231 PolarHBondContact O-OH 3.28Å; W223-R251 VanDerWaalsContact CE2-NH1 3.34Å; W223-R251 VanDerWaalsContact NE1-CZ 3.33Å; W223-F253 HydrophobicContact CB-CE1 3.62Å; W223-F253 HydrophobicContact CB-CE2 4.33Å; W223-F253 HydrophobicContact CB-CZ 3.49Å; W223-F253 VanDerWaalsContact CB-CZ 3.49Å; W223-F253 HydrophobicContact CD2-CZ 4.28Å; W223-F253 HydrophobicContact CG-CE1 4Å; W223-F253 AromaticContact CG-CZ 3.67Å; W223-F253 HydrophobicContact CG-CZ 3.67Å
224P94.3Very high91.5Very high4 Ų445.1 Ų45.13%0.02627%0.266CS..  trans-71145.1174.830.2-36.4000111.2E226 Q229 V236 L238P224-E226 VanDerWaalsContact C-N 3.32Å; P224-Q229 HydrophobicContact CB-CB 3.9Å; P224-Q229 HydrophobicContact CG-CB 4.41Å; P224-V236 WeakPolarHBondContact CG-O 3.11Å; P224-L238 HydrophobicContact CG-CB 4.13Å
225N89.5Confident92.3Very high65 Ų6543.7 Ų43.735%0.34826%0.259SS..SBendtrans-77.3-22.8172.3-60.1-77.1000112.2R206 K221 L238R206-N225 VanDerWaalsContact CZ-ND2 3.27Å; R206-N225 PolarHBondContact NH1-ND2 3.4Å; K221-N225 PolarHBondContact NZ-OD1 3.5Å; N225-L238 VanDerWaalsContact O-CD2 3.26Å; N225-L238 WeakPolarHBondContact O-CD2 3.38Å
226E89Confident93.3Very high168 Ų16841 Ų4179%0.78525%0.245SC*.SBendtrans-154.2150.2175.660.1-174166.400109.7P224 S228P224-E226 VanDerWaalsContact C-N 3.32Å; E226-S228 PolarHBondContact O-N 3.09Å
227G92.4Very high94.3Very high50 Ų5040 Ų4052%0.51524%0.238SC..SBendtrans64.6-129.9178.200000113.2H237 L238G227-H237 WeakPolarHBondContact O-CA 3.36Å; G227-L238 PolarHBondContact O-N 3.03Å
228S95.3Very high94.7Very high53 Ų5337.8 Ų37.837%0.37123%0.226SC..EExtended strand (participates in β ladder)trans-130.5157.9179.566.20000113.3E226 E235 V236 H237E226-S228 PolarHBondContact O-N 3.09Å; S228-E235 WeakPolarHBondContact CB-OE1 3.37Å; S228-E235 PolarHBondContact OG-OE1 2.86Å; S228-V236 CarbonylContact C-O 3.57Å; S228-V236 WeakPolarHBondContact CA-O 3.45Å; S228-V236 WeakPolarHBondContact CB-O 3.43Å; S228-H237 VanDerWaalsContact CB-ND1 3.31Å; S228-H237 WeakPolarHBondContact CB-ND1 3.32Å
229Q95.9Very high94.9Very high69 Ų6938.6 Ų38.632%0.32223%0.23SC..EExtended strand (participates in β ladder)trans-143.1144.2171.9-176.9170.8-1200110P224 Y231 V236P224-Q229 HydrophobicContact CB-CB 3.9Å; P224-Q229 HydrophobicContact CG-CB 4.41Å; Q229-Y231 HydrophobicContact CB-CE2 3.97Å; Q229-Y231 VanDerWaalsContact CD-CZ 3.46Å; Q229-Y231 HydrophobicContact CG-CE1 3.88Å; Q229-Y231 HydrophobicContact CG-CE2 4.06Å; Q229-Y231 VanDerWaalsContact NE2-CE1 3.35Å; Q229-Y231 PolarHBondContact OE1-OH 2.81Å; Q229-V236 PolarHBondContact N-O 3.18Å; Q229-V236 PolarHBondContact O-N 3.23Å
230V96.8Very high94.7Very high82 Ų8238.7 Ų38.750%0.49723%0.231SC..EExtended strand (participates in β ladder)trans-92.4131.8178.41760000110.4G232 F234 E235 I258V230-G232 WeakPolarHBondContact CG1-O 3.49Å; V230-F234 CarbonylContact C-O 3.47Å; V230-F234 WeakPolarHBondContact CA-O 3.49Å; V230-E235 HydrophobicContact CG2-CB 4.33Å; V230-E235 HydrophobicContact CG2-CG 4.2Å; V230-I258 HydrophobicContact CG1-CD1 3.69Å; V230-I258 HydrophobicContact CG2-CD1 4.2Å
231Y95.8Very high94.6Very high8 Ų843.2 Ų43.23%0.03125%0.252CS..EExtended strand (participates in β ladder)trans-129.898.2174.8-54.5-75.5000109.5V180 W184 Y222 W223 Q229 S233 F234 V236V180-Y231 HydrophobicContact CB-CD1 4.25Å; V180-Y231 HydrophobicContact CG1-CD1 3.3Å; V180-Y231 HydrophobicContact CG1-CD2 4.5Å; V180-Y231 HydrophobicContact CG1-CE1 3.78Å; V180-Y231 HydrophobicContact CG1-CG 3.71Å; W184-Y231 AromaticContact CD1-CD2 3.7Å; W184-Y231 AromaticContact CD1-CG 3.8Å; W184-Y231 AromaticContact NE1-CD2 3.51Å; W184-Y231 AromaticContact NE1-CE2 3.91Å; W184-Y231 AromaticContact NE1-CG 3.97Å; Y222-Y231 WeakPolarHBondContact O-CE2 3.49Å; W223-Y231 VanDerWaalsContact CA-OH 3.29Å; W223-Y231 WeakPolarHBondContact CA-OH 3.38Å; W223-Y231 PolarHBondContact N-OH 3Å; W223-Y231 PolarHBondContact O-OH 3.28Å; Q229-Y231 HydrophobicContact CB-CE2 3.97Å; Q229-Y231 VanDerWaalsContact CD-CZ 3.46Å; Q229-Y231 HydrophobicContact CG-CE1 3.88Å; Q229-Y231 HydrophobicContact CG-CE2 4.06Å; Q229-Y231 VanDerWaalsContact NE2-CE1 3.35Å; Q229-Y231 PolarHBondContact OE1-OH 2.81Å; Y231-S233 PolarHBondContact O-N 3.21Å; Y231-F234 PolarHBondContact N-O 2.72Å; Y231-F234 PolarHBondContact O-N 3.5Å; Y231-V236 HydrophobicContact CD2-CB 4.14Å; Y231-V236 HydrophobicContact CD2-CG2 3.65Å; Y231-V236 HydrophobicContact CE2-CB 4.01Å; Y231-V236 HydrophobicContact CE2-CG2 3.98Å
232G95Very high94.2Very high48 Ų4844.9 Ų44.950%0.49526%0.26SS..THydrogen-bonded Turntrans59.8-124.1-172.300000111.3V230 F234V230-G232 WeakPolarHBondContact CG1-O 3.49Å; G232-F234 PolarHBondContact O-N 3.45Å
233S96Very high93.6Very high63 Ų6349.4 Ų49.444%0.44129%0.291SS..THydrogen-bonded Turntrans-84.18.9-178.2-55.60000114.4Y231 I258Y231-S233 PolarHBondContact O-N 3.21Å; S233-I258 WeakPolarHBondContact O-CB 3.4Å; S233-I258 PolarHBondContact O-N 3.08Å
234F98Very high92.5Very high7 Ų751.9 Ų51.93%0.03130%0.301CS..EExtended strand (participates in β ladder)trans-123.8136.5-174.6-62.1-77.1000112.3W184 L185 W188 V230 Y231 G232 L255 K256W184-F234 HydrophobicContact CB-CB 4.36Å; W184-F234 HydrophobicContact CB-CD2 4.02Å; W184-F234 HydrophobicContact CB-CG 4.34Å; L185-F234 HydrophobicContact CB-CE2 3.96Å; L185-F234 HydrophobicContact CD1-CE2 3.85Å; L185-F234 HydrophobicContact CD1-CZ 4.02Å; W188-F234 HydrophobicContact CB-CE1 3.63Å; W188-F234 HydrophobicContact CB-CE2 4.32Å; W188-F234 HydrophobicContact CB-CZ 3.47Å; W188-F234 VanDerWaalsContact CB-CZ 3.47Å; W188-F234 AromaticContact CD1-CE1 3.94Å; W188-F234 AromaticContact CD1-CZ 3.79Å; W188-F234 HydrophobicContact CD2-CD1 4.36Å; W188-F234 AromaticContact CD2-CE1 3.41Å; W188-F234 HydrophobicContact CD2-CE1 3.41Å; W188-F234 VanDerWaalsContact CD2-CE1 3.41Å; W188-F234 HydrophobicContact CD2-CZ 4.03Å; W188-F234 HydrophobicContact CE3-CD1 4.18Å; W188-F234 AromaticContact CE3-CE1 3.66Å; W188-F234 HydrophobicContact CE3-CE1 3.66Å; W188-F234 AromaticContact CG-CE1 3.37Å; W188-F234 HydrophobicContact CG-CE1 3.37Å; W188-F234 AromaticContact CG-CZ 3.46Å; W188-F234 HydrophobicContact CG-CZ 3.46Å; W188-F234 VanDerWaalsContact CG-CZ 3.46Å; W188-F234 HydrophobicContact CZ3-CE1 4.46Å; V230-F234 CarbonylContact C-O 3.47Å; V230-F234 WeakPolarHBondContact CA-O 3.49Å; Y231-F234 PolarHBondContact N-O 2.72Å; Y231-F234 PolarHBondContact O-N 3.5Å; G232-F234 PolarHBondContact O-N 3.45Å; F234-L255 HydrophobicContact CB-CD1 3.76Å; F234-L255 HydrophobicContact CD1-CD1 3.97Å; F234-L255 HydrophobicContact CD1-CG 4.27Å; F234-L255 HydrophobicContact CG-CD1 4.06Å; F234-K256 WeakPolarHBondContact CA-O 3.46Å
235E98Very high92Very high37 Ų3753.3 Ų53.317%0.17331%0.311CS..EExtended strand (participates in β ladder)trans-102.4122.7167.1-170.9-177.9-176.600108.6S228 V230 H237 K256 I258S228-E235 WeakPolarHBondContact CB-OE1 3.37Å; S228-E235 PolarHBondContact OG-OE1 2.86Å; V230-E235 HydrophobicContact CG2-CB 4.33Å; V230-E235 HydrophobicContact CG2-CG 4.2Å; E235-H237 VanDerWaalsContact CD-CE1 3.45Å; E235-H237 WeakPolarHBondContact CG-NE2 3.25Å; E235-H237 IonicContact OE1-CE1 3.91Å; E235-H237 PolarHBondContact OE1-CE1 3.31Å; E235-H237 IonicContact OE1-NE2 3.86Å; E235-H237 PolarHBondContact OE1-NE2 3.31Å; E235-H237 IonicContact OE2-CE1 2.81Å; E235-H237 IonicContact OE2-NE2 2.74Å; E235-K256 HydrophobicContact CB-CB 4.39Å; E235-K256 PolarHBondContact N-O 3.14Å; E235-K256 PolarHBondContact O-N 2.8Å; E235-I258 HydrophobicContact CB-CD1 4.46Å; E235-I258 HydrophobicContact CB-CG1 4.33Å
236V97.7Very high91.8Very high0 Ų057.4 Ų57.40%033%0.333CS..EExtended strand (participates in β ladder)trans-107.9120.8-179.4-179.10000107.8W184 P224 S228 Q229 Y231 F253 L255W184-V236 HydrophobicContact CD2-CG2 3.84Å; W184-V236 HydrophobicContact CE3-CG2 4.32Å; W184-V236 HydrophobicContact CG-CG2 4.26Å; W184-V236 HydrophobicContact CH2-CG1 4.07Å; W184-V236 HydrophobicContact CH2-CG2 4.28Å; W184-V236 HydrophobicContact CZ2-CB 4.44Å; W184-V236 HydrophobicContact CZ2-CG1 3.85Å; W184-V236 HydrophobicContact CZ2-CG2 3.79Å; P224-V236 WeakPolarHBondContact CG-O 3.11Å; S228-V236 CarbonylContact C-O 3.57Å; S228-V236 WeakPolarHBondContact CA-O 3.45Å; S228-V236 WeakPolarHBondContact CB-O 3.43Å; Q229-V236 PolarHBondContact N-O 3.18Å; Q229-V236 PolarHBondContact O-N 3.23Å; Y231-V236 HydrophobicContact CD2-CB 4.14Å; Y231-V236 HydrophobicContact CD2-CG2 3.65Å; Y231-V236 HydrophobicContact CE2-CB 4.01Å; Y231-V236 HydrophobicContact CE2-CG2 3.98Å; V236-F253 HydrophobicContact CG1-CB 4.17Å; V236-F253 HydrophobicContact CG1-CD1 4.07Å; V236-F253 HydrophobicContact CG1-CG 4.16Å; V236-L255 HydrophobicContact CG2-CD1 3.79Å
237H96.7Very high92Very high52 Ų5251.5 Ų51.524%0.24131%0.306CS..EExtended strand (participates in β ladder)trans-105.2130.5174.5-53.1-112.5000109.9G227 S228 E235 V239 F253 Y254G227-H237 WeakPolarHBondContact O-CA 3.36Å; S228-H237 VanDerWaalsContact CB-ND1 3.31Å; S228-H237 WeakPolarHBondContact CB-ND1 3.32Å; E235-H237 VanDerWaalsContact CD-CE1 3.45Å; E235-H237 WeakPolarHBondContact CG-NE2 3.25Å; E235-H237 IonicContact OE1-CE1 3.91Å; E235-H237 PolarHBondContact OE1-CE1 3.31Å; E235-H237 IonicContact OE1-NE2 3.86Å; E235-H237 PolarHBondContact OE1-NE2 3.31Å; E235-H237 IonicContact OE2-CE1 2.81Å; E235-H237 IonicContact OE2-NE2 2.74Å; H237-V239 PolarHBondContact O-N 3.47Å; H237-F253 VanDerWaalsContact O-CA 3.26Å; H237-F253 WeakPolarHBondContact O-CA 3.23Å; H237-Y254 AromaticContact CD2-CD1 3.98Å; H237-Y254 PolarHBondContact N-O 3.39Å; H237-Y254 PolarHBondContact O-N 3.31Å
238L94.3Very high92Very high32 Ų3249.8 Ų49.817%0.16829%0.285CS..EExtended strand (participates in β ladder)trans-78.4109.6167.3176.763.3000109P224 N225 G227 R251 F253P224-L238 HydrophobicContact CG-CB 4.13Å; N225-L238 VanDerWaalsContact O-CD2 3.26Å; N225-L238 WeakPolarHBondContact O-CD2 3.38Å; G227-L238 PolarHBondContact O-N 3.03Å; L238-R251 HydrophobicContact CD1-CB 4.13Å; L238-R251 HydrophobicContact CD1-CG 4.11Å; L238-F253 HydrophobicContact CD1-CD1 4.15Å; L238-F253 HydrophobicContact CD1-CE1 3.78Å
239V92Very high92Very high27 Ų2747.8 Ų47.816%0.16427%0.269CS..EExtended strand (participates in β ladder)trans-92-39.3-176.5-173.70000111.8R26 T63 V65 H237 S252R26-V239 PolarHBondContact NH1-O 2.84Å; T63-V239 HydrophobicContact CG2-CG2 4.14Å; V65-V239 HydrophobicContact CB-CG1 4.49Å; V65-V239 HydrophobicContact CG1-CG1 4.31Å; V65-V239 HydrophobicContact CG2-CB 4.45Å; V65-V239 HydrophobicContact CG2-CG1 3.36Å; H237-V239 PolarHBondContact O-N 3.47Å; V239-S252 WeakPolarHBondContact CB-O 3.34Å; V239-S252 PolarHBondContact N-O 3.01Å
240S89.5Confident91.9Very high11 Ų1144.9 Ų44.98%0.07726%0.256CS..EExtended strand (participates in β ladder)trans-156148.1177.560.90000111.2R251 S252S240-R251 CarbonylContact O-C 3.58Å; S240-R251 VanDerWaalsContact O-CA 3.25Å; S240-R251 WeakPolarHBondContact O-CA 3.25Å; S240-S252 PolarHBondContact N-O 3.16Å; S240-S252 PolarHBondContact O-N 3.38Å; S240-S252 WeakPolarHBondContact OG-CB 3.38Å
241E91.2Very high91.8Very high94 Ų9441.6 Ų41.644%0.43924%0.235SC..EExtended strand (participates in β ladder)trans-131.7130.8169.6-177.7178.99400108.1I250 R251E241-I250 WeakPolarHBondContact CA-O 3.19Å; E241-R251 HydrophobicContact CB-CG 4.18Å; E241-R251 HydrophobicContact CG-CG 3.96Å; E241-R251 IonicContact OE2-CZ 3.55Å; E241-R251 IonicContact OE2-NE 2.98Å; E241-R251 PolarHBondContact OE2-NE 3.24Å; E241-R251 IonicContact OE2-NH2 3.11Å; E241-R251 PolarHBondContact OE2-NH2 2.83Å
242H87.5Confident91.6Very high69 Ų6941.3 Ų41.332%0.31923%0.234SC..EExtended strand (participates in β ladder)trans-132.2119.2-179.7-63.8-60.7000110.2W244 I249 I250H242-W244 PolarHBondContact O-N 2.92Å; H242-I249 WeakPolarHBondContact O-CA 3.42Å; H242-I250 PolarHBondContact N-O 3.37Å; H242-I250 PolarHBondContact O-N 3.36Å
243S84.7Confident91.6Very high95 Ų9539 Ų3966%0.66421%0.21SC*.EExtended strand (participates in β ladder)trans-75118.6166.1-55.10000109.6
244W73.5Confident91.6Very high56 Ų5637.8 Ų37.821%0.21220%0.196CC..EExtended strand (participates in β ladder)trans-95.3-41.2-176.2-87.196.4000112.1L68 N69 K70 H242 Y248 I250L68-W244 HydrophobicContact CB-CZ2 4.31Å; L68-W244 WeakPolarHBondContact O-CH2 3.49Å; L68-W244 WeakPolarHBondContact O-CZ2 3.24Å; N69-W244 VanDerWaalsContact C-CH2 3.48Å; N69-W244 WeakPolarHBondContact O-CH2 3.43Å; K70-W244 HydrophobicContact CB-CH2 3.89Å; K70-W244 HydrophobicContact CB-CZ3 3.84Å; K70-W244 HydrophobicContact CG-CH2 3.3Å; K70-W244 HydrophobicContact CG-CZ2 4.38Å; K70-W244 HydrophobicContact CG-CZ3 3.44Å; K70-W244 VanDerWaalsContact CG-CZ3 3.44Å; H242-W244 PolarHBondContact O-N 2.92Å; W244-Y248 HydrophobicContact CB-CD2 3.74Å; W244-Y248 HydrophobicContact CB-CE2 3.23Å; W244-Y248 HydrophobicContact CG-CD2 4.33Å; W244-Y248 AromaticContact CG-CE2 3.69Å; W244-Y248 HydrophobicContact CG-CE2 3.69Å; W244-Y248 PolarHBondContact N-O 3.5Å; W244-I250 HydrophobicContact CG-CD1 4.16Å; W244-I250 HydrophobicContact CG-CG1 4.37Å
245S82.3Confident91.5Very high34 Ų3437.5 Ų37.524%0.23820%0.195CC..EExtended strand (participates in β ladder)trans-148.3178.8169.264.90000108.1N247 Y248S245-N247 PolarHBondContact O-N 3.24Å; S245-N247 VanDerWaalsContact O-N 3.12Å; S245-N247 WeakPolarHBondContact OG-CB 3.38Å; S245-N247 PolarHBondContact OG-N 2.74Å; S245-N247 VanDerWaalsContact OG-N 3.14Å; S245-Y248 WeakPolarHBondContact OG-CD1 3.38Å; S245-Y248 WeakPolarHBondContact OG-CE1 3.35Å
246D87Confident91.4Very high151 Ų15138.5 Ų38.581%0.80720%0.199SC*.THydrogen-bonded Turntrans-63.4-13.5170.6-61.1-31.7000112.3T273D246-T273 WeakPolarHBondContact O-CG2 3.4Å
247N91.5Very high91.3Very high43 Ų4338.8 Ų38.823%0.2320%0.201CC..THydrogen-bonded Turntrans-93.7-25.5-175-60.1-60.2000114.4S245 Y271 L272 T273 P285S245-N247 PolarHBondContact O-N 3.24Å; S245-N247 VanDerWaalsContact O-N 3.12Å; S245-N247 WeakPolarHBondContact OG-CB 3.38Å; S245-N247 PolarHBondContact OG-N 2.74Å; S245-N247 VanDerWaalsContact OG-N 3.14Å; N247-Y271 HydrophobicContact CB-CE1 4.48Å; N247-Y271 HydrophobicContact CB-CE2 4.46Å; N247-L272 PolarHBondContact O-N 2.81Å; N247-T273 WeakPolarHBondContact CA-OG1 3.31Å; N247-T273 WeakPolarHBondContact CB-OG1 3.29Å; N247-T273 PolarHBondContact OD1-OG1 3.14Å; N247-P285 HydrophobicContact CB-CB 3.96Å; N247-P285 WeakPolarHBondContact ND2-CB 3.47Å
248Y93.6Very high91.3Very high15 Ų1539.9 Ų39.96%0.05921%0.208CC..EExtended strand (participates in β ladder)trans-157.3155.3-177.366.3-91.9000114.1W244 S245 I250 H270 F289W244-Y248 HydrophobicContact CB-CD2 3.74Å; W244-Y248 HydrophobicContact CB-CE2 3.23Å; W244-Y248 HydrophobicContact CG-CD2 4.33Å; W244-Y248 AromaticContact CG-CE2 3.69Å; W244-Y248 HydrophobicContact CG-CE2 3.69Å; W244-Y248 PolarHBondContact N-O 3.5Å; S245-Y248 WeakPolarHBondContact OG-CD1 3.38Å; S245-Y248 WeakPolarHBondContact OG-CE1 3.35Å; Y248-I250 HydrophobicContact CD2-CG1 4.28Å; Y248-I250 HydrophobicContact CE2-CD1 4.27Å; Y248-I250 HydrophobicContact CE2-CG1 4.43Å; Y248-H270 VanDerWaalsContact CA-O 3.27Å; Y248-H270 WeakPolarHBondContact CA-O 3.26Å; Y248-H270 WeakPolarHBondContact CB-O 3.47Å; Y248-F289 HydrophobicContact CD1-CB 4.08Å; Y248-F289 AromaticContact CD1-CD2 3.89Å; Y248-F289 HydrophobicContact CD1-CD2 3.89Å; Y248-F289 HydrophobicContact CD1-CG 4.46Å; Y248-F289 AromaticContact CD2-CD2 3.73Å; Y248-F289 HydrophobicContact CD2-CD2 3.73Å; Y248-F289 HydrophobicContact CD2-CE2 4.26Å; Y248-F289 HydrophobicContact CE1-CB 4.18Å; Y248-F289 HydrophobicContact CE1-CD2 4.46Å; Y248-F289 HydrophobicContact CE2-CD2 4.3Å; Y248-F289 AromaticContact CG-CD2 3.49Å; Y248-F289 HydrophobicContact CG-CD2 3.49Å; Y248-F289 VanDerWaalsContact CG-CD2 3.49Å; Y248-F289 HydrophobicContact CG-CE2 4.14Å; Y248-F289 HydrophobicContact CG-CG 4.47Å
249I94.1Very high91.3Very high10 Ų1043.7 Ų43.75%0.05123%0.232CC..EExtended strand (participates in β ladder)trans-124152.3176.563.5-178.6000110H242 H270 L272H242-I249 WeakPolarHBondContact O-CA 3.42Å; I249-H270 HydrophobicContact CD1-CB 4.33Å; I249-H270 HydrophobicContact CG1-CB 3.74Å; I249-H270 PolarHBondContact N-O 3.08Å; I249-H270 PolarHBondContact O-N 3.28Å; I249-L272 HydrophobicContact CD1-CD2 4.16Å; I249-L272 HydrophobicContact CG1-CD1 4.47Å; I249-L272 HydrophobicContact CG1-CD2 4.26Å; I249-L272 HydrophobicContact CG2-CD1 3.67Å; I249-L272 HydrophobicContact CG2-CG 4.47Å
250I94.1Very high91.4Very high9 Ų945.8 Ų45.85%0.04625%0.245CC..EExtended strand (participates in β ladder)trans-121.1128.6175.9-60.3-177.4000109.1L68 E241 H242 W244 Y248 T267 Q268 F269 K292L68-I250 HydrophobicContact CD1-CD1 3.66Å; L68-I250 HydrophobicContact CD1-CG2 4.42Å; E241-I250 WeakPolarHBondContact CA-O 3.19Å; H242-I250 PolarHBondContact N-O 3.37Å; H242-I250 PolarHBondContact O-N 3.36Å; W244-I250 HydrophobicContact CG-CD1 4.16Å; W244-I250 HydrophobicContact CG-CG1 4.37Å; Y248-I250 HydrophobicContact CD2-CG1 4.28Å; Y248-I250 HydrophobicContact CE2-CD1 4.27Å; Y248-I250 HydrophobicContact CE2-CG1 4.43Å; I250-T267 HydrophobicContact CG2-CG2 3.64Å; I250-Q268 CarbonylContact C-O 3.59Å; I250-Q268 WeakPolarHBondContact CA-O 3.47Å; I250-F269 HydrophobicContact CD1-CD1 3.57Å; I250-F269 HydrophobicContact CD1-CE1 3.32Å; I250-F269 HydrophobicContact CD1-CZ 4.17Å; I250-F269 HydrophobicContact CG1-CD1 3.75Å; I250-F269 HydrophobicContact CG1-CE1 3.99Å; I250-F269 HydrophobicContact CG1-CG 4.45Å; I250-K292 HydrophobicContact CD1-CG 3.91Å
251R94.4Very high91.6Very high12 Ų1250.3 Ų50.35%0.04527%0.268CS..EExtended strand (participates in β ladder)trans-114.4141.5174.8-63.9-176.1-1781020.6111W223 L238 S240 E241 F253 T267 Q268 H270W223-R251 VanDerWaalsContact CE2-NH1 3.34Å; W223-R251 VanDerWaalsContact NE1-CZ 3.33Å; L238-R251 HydrophobicContact CD1-CB 4.13Å; L238-R251 HydrophobicContact CD1-CG 4.11Å; S240-R251 CarbonylContact O-C 3.58Å; S240-R251 VanDerWaalsContact O-CA 3.25Å; S240-R251 WeakPolarHBondContact O-CA 3.25Å; E241-R251 HydrophobicContact CB-CG 4.18Å; E241-R251 HydrophobicContact CG-CG 3.96Å; E241-R251 IonicContact OE2-CZ 3.55Å; E241-R251 IonicContact OE2-NE 2.98Å; E241-R251 PolarHBondContact OE2-NE 3.24Å; E241-R251 IonicContact OE2-NH2 3.11Å; E241-R251 PolarHBondContact OE2-NH2 2.83Å; R251-F253 HydrophobicContact CB-CE1 3.98Å; R251-F253 HydrophobicContact CB-CE2 4.28Å; R251-F253 HydrophobicContact CB-CZ 3.79Å; R251-F253 HydrophobicContact CG-CZ 4.39Å; R251-T267 CarbonylContact O-C 3.46Å; R251-T267 WeakPolarHBondContact O-CA 3.39Å; R251-Q268 HydrophobicContact CB-CB 4.36Å; R251-Q268 PolarHBondContact N-O 3.14Å; R251-Q268 PolarHBondContact O-N 3.33Å; R251-H270 PolarHBondContact NH1-ND1 3.09Å; R251-H270 VanDerWaalsContact NH1-ND1 3.12Å
252S93Very high91.8Very high2 Ų251.1 Ų51.11%0.01427%0.272CS..EExtended strand (participates in β ladder)trans-108.2126.3166.8-165.90000108.8V239 S240 T265V239-S252 WeakPolarHBondContact CB-O 3.34Å; V239-S252 PolarHBondContact N-O 3.01Å; S240-S252 PolarHBondContact N-O 3.16Å; S240-S252 PolarHBondContact O-N 3.38Å; S240-S252 WeakPolarHBondContact OG-CB 3.38Å; S252-T265 WeakPolarHBondContact OG-CG2 3.29Å
253F95.5Very high92Very high0 Ų050.5 Ų50.50%027%0.273CS..EExtended strand (participates in β ladder)trans-111.1138.7177.7-57.9-55.5000110.5W184 W223 V236 H237 L238 R251 T265 V266 Q268W184-F253 AromaticContact CH2-CD2 3.93Å; W184-F253 HydrophobicContact CH2-CD2 3.93Å; W184-F253 HydrophobicContact CH2-CE2 4.28Å; W184-F253 HydrophobicContact CH2-CG 4.48Å; W223-F253 HydrophobicContact CB-CE1 3.62Å; W223-F253 HydrophobicContact CB-CE2 4.33Å; W223-F253 HydrophobicContact CB-CZ 3.49Å; W223-F253 VanDerWaalsContact CB-CZ 3.49Å; W223-F253 HydrophobicContact CD2-CZ 4.28Å; W223-F253 HydrophobicContact CG-CE1 4Å; W223-F253 AromaticContact CG-CZ 3.67Å; W223-F253 HydrophobicContact CG-CZ 3.67Å; V236-F253 HydrophobicContact CG1-CB 4.17Å; V236-F253 HydrophobicContact CG1-CD1 4.07Å; V236-F253 HydrophobicContact CG1-CG 4.16Å; H237-F253 VanDerWaalsContact O-CA 3.26Å; H237-F253 WeakPolarHBondContact O-CA 3.23Å; L238-F253 HydrophobicContact CD1-CD1 4.15Å; L238-F253 HydrophobicContact CD1-CE1 3.78Å; R251-F253 HydrophobicContact CB-CE1 3.98Å; R251-F253 HydrophobicContact CB-CE2 4.28Å; R251-F253 HydrophobicContact CB-CZ 3.79Å; R251-F253 HydrophobicContact CG-CZ 4.39Å; F253-T265 WeakPolarHBondContact O-CA 3.48Å; F253-V266 HydrophobicContact CB-CB 4.43Å; F253-V266 PolarHBondContact N-O 3.31Å; F253-V266 PolarHBondContact O-N 2.76Å; F253-Q268 HydrophobicContact CD2-CB 4.18Å; F253-Q268 HydrophobicContact CE2-CB 3.46Å; F253-Q268 VanDerWaalsContact CE2-CB 3.46Å; F253-Q268 HydrophobicContact CE2-CG 4.27Å; F253-Q268 HydrophobicContact CZ-CB 4.21Å
254Y94.4Very high92.4Very high37 Ų3749.7 Ų49.715%0.14526%0.256CS..EExtended strand (participates in β ladder)trans-96.2112.9162.3-170.1-124.6000108.1T63 H237 T263T63-Y254 HydrophobicContact CG2-CD2 3.49Å; T63-Y254 VanDerWaalsContact CG2-CD2 3.49Å; T63-Y254 HydrophobicContact CG2-CE2 3.98Å; T63-Y254 HydrophobicContact CG2-CG 3.78Å; H237-Y254 AromaticContact CD2-CD1 3.98Å; H237-Y254 PolarHBondContact N-O 3.39Å; H237-Y254 PolarHBondContact O-N 3.31Å; Y254-T263 HydrophobicContact CE1-CG2 3.7Å; Y254-T263 HydrophobicContact CE2-CG2 3.99Å; Y254-T263 VanDerWaalsContact CE2-OG1 3.26Å; Y254-T263 WeakPolarHBondContact CE2-OG1 3.49Å; Y254-T263 VanDerWaalsContact CZ-OG1 3.25Å; Y254-T263 WeakPolarHBondContact OH-CB 3.45Å; Y254-T263 WeakPolarHBondContact OH-CG2 3.43Å; Y254-T263 PolarHBondContact OH-OG1 2.89Å
255L96.1Very high93.3Very high1 Ų148 Ų481%0.00525%0.252CS..EExtended strand (participates in β ladder)trans-99.9114.2180179.464.9000108.6W184 V187 W188 F234 V236 T263 R264 V266W184-L255 HydrophobicContact CD2-CD1 4.26Å; W184-L255 HydrophobicContact CE3-CD1 3.77Å; W184-L255 HydrophobicContact CE3-CD2 4.05Å; W184-L255 HydrophobicContact CZ3-CD1 4.28Å; W184-L255 HydrophobicContact CZ3-CD2 4.38Å; V187-L255 HydrophobicContact CG1-CD2 4.22Å; W188-L255 HydrophobicContact CE3-CD2 3.79Å; W188-L255 HydrophobicContact CE3-CG 4.04Å; W188-L255 HydrophobicContact CZ3-CD2 4.48Å; W188-L255 HydrophobicContact CZ3-CG 4.36Å; F234-L255 HydrophobicContact CB-CD1 3.76Å; F234-L255 HydrophobicContact CD1-CD1 3.97Å; F234-L255 HydrophobicContact CD1-CG 4.27Å; F234-L255 HydrophobicContact CG-CD1 4.06Å; V236-L255 HydrophobicContact CG2-CD1 3.79Å; L255-T263 CarbonylContact O-C 3.53Å; L255-T263 VanDerWaalsContact O-CA 3.25Å; L255-T263 WeakPolarHBondContact O-CA 3.39Å; L255-R264 PolarHBondContact N-O 3.05Å; L255-R264 PolarHBondContact O-N 2.83Å; L255-V266 HydrophobicContact CB-CG2 4.17Å; L255-V266 HydrophobicContact CD2-CG2 4.09Å
256K96.7Very high93.9Very high59 Ų5946.4 Ų46.426%0.25724%0.241SC..EExtended strand (participates in β ladder)trans-110.8126.8179.8176.4-178.4177.2-166.10110.3F234 E235 I258 N261 T263F234-K256 WeakPolarHBondContact CA-O 3.46Å; E235-K256 HydrophobicContact CB-CB 4.39Å; E235-K256 PolarHBondContact N-O 3.14Å; E235-K256 PolarHBondContact O-N 2.8Å; K256-I258 PolarHBondContact O-N 3.35Å; K256-N261 WeakPolarHBondContact CE-OD1 3.47Å; K256-T263 HydrophobicContact CB-CG2 3.88Å; K256-T263 HydrophobicContact CG-CG2 3.85Å
257S96.2Very high94.2Very high5 Ų539.9 Ų39.94%0.03521%0.206CC..EExtended strand (participates in β ladder)trans-74.1122.1165.9-1790000109.3V259 T260 N261 E262S257-V259 PolarHBondContact O-N 3.49Å; S257-V259 PolarHBondContact OG-N 2.81Å; S257-T260 VanDerWaalsContact CB-OG1 3.27Å; S257-T260 WeakPolarHBondContact CB-OG1 3.3Å; S257-T260 PolarHBondContact OG-N 2.79Å; S257-T260 PolarHBondContact OG-OG1 3.35Å; S257-N261 WeakPolarHBondContact O-CA 3.35Å; S257-N261 PolarHBondContact O-N 2.8Å; S257-E262 PolarHBondContact N-O 2.85Å
258I96.6Very high94.5Very high75 Ų7537.8 Ų37.839%0.38520%0.195SC..THydrogen-bonded Turntrans-69.8-28.8177-60.7170.4000110.4V230 S233 E235 K256V230-I258 HydrophobicContact CG1-CD1 3.69Å; V230-I258 HydrophobicContact CG2-CD1 4.2Å; S233-I258 WeakPolarHBondContact O-CB 3.4Å; S233-I258 PolarHBondContact O-N 3.08Å; E235-I258 HydrophobicContact CB-CD1 4.46Å; E235-I258 HydrophobicContact CB-CG1 4.33Å; K256-I258 PolarHBondContact O-N 3.35Å
259V94.2Very high94.7Very high112 Ų11237.1 Ų37.168%0.67919%0.192SC*.THydrogen-bonded Turntrans-75.3-48.8-178-179.50000111.4S257S257-V259 PolarHBondContact O-N 3.49Å; S257-V259 PolarHBondContact OG-N 2.81Å
260T94.3Very high94.8Very high72 Ų7236.6 Ų36.644%0.44219%0.19SC..THydrogen-bonded Turntrans-99.7-12.4-174.365.20000113.6S257 E262S257-T260 VanDerWaalsContact CB-OG1 3.27Å; S257-T260 WeakPolarHBondContact CB-OG1 3.3Å; S257-T260 PolarHBondContact OG-N 2.79Å; S257-T260 PolarHBondContact OG-OG1 3.35Å; T260-E262 PolarHBondContact O-N 3.05Å; T260-E262 VanDerWaalsContact O-N 3.1Å; T260-E262 WeakPolarHBondContact OG1-CB 3.5Å; T260-E262 WeakPolarHBondContact OG1-CG 3.33Å; T260-E262 PolarHBondContact OG1-N 3.11Å
261N93.2Very high94.9Very high105 Ų10536.2 Ų36.256%0.56119%0.187SC*.  trans587.3-166.8-67.9-63.8000114.7K256 S257K256-N261 WeakPolarHBondContact CE-OD1 3.47Å; S257-N261 WeakPolarHBondContact O-CA 3.35Å; S257-N261 PolarHBondContact O-N 2.8Å
262E94.7Very high94.9Very high112 Ų11237.7 Ų37.752%0.52320%0.196SC..  trans-69.1148.6171.3-66.4179.216500110.2W188 S257 T260W188-E262 HydrophobicContact CH2-CB 3.66Å; W188-E262 WeakPolarHBondContact CH2-O 3.36Å; W188-E262 HydrophobicContact CZ2-CB 3.85Å; S257-E262 PolarHBondContact N-O 2.85Å; T260-E262 PolarHBondContact O-N 3.05Å; T260-E262 VanDerWaalsContact O-N 3.1Å; T260-E262 WeakPolarHBondContact OG1-CB 3.5Å; T260-E262 WeakPolarHBondContact OG1-CG 3.33Å; T260-E262 PolarHBondContact OG1-N 3.11Å
263T91.7Very high94.8Very high55 Ų5539.5 Ų39.534%0.33721%0.207SC..EExtended strand (participates in β ladder)trans-133154.6-176.466.10000112.6Y254 L255 K256Y254-T263 HydrophobicContact CE1-CG2 3.7Å; Y254-T263 HydrophobicContact CE2-CG2 3.99Å; Y254-T263 VanDerWaalsContact CE2-OG1 3.26Å; Y254-T263 WeakPolarHBondContact CE2-OG1 3.49Å; Y254-T263 VanDerWaalsContact CZ-OG1 3.25Å; Y254-T263 WeakPolarHBondContact OH-CB 3.45Å; Y254-T263 WeakPolarHBondContact OH-CG2 3.43Å; Y254-T263 PolarHBondContact OH-OG1 2.89Å; L255-T263 CarbonylContact O-C 3.53Å; L255-T263 VanDerWaalsContact O-CA 3.25Å; L255-T263 WeakPolarHBondContact O-CA 3.39Å; K256-T263 HydrophobicContact CB-CG2 3.88Å; K256-T263 HydrophobicContact CG-CG2 3.85Å
264R93.1Very high94.5Very high78 Ų7839.6 Ų39.629%0.29421%0.208SC..EExtended strand (participates in β ladder)trans-144148.9178.5-61.8-178.9-169.6177.16.6110.2W188 L255W188-R264 HydrophobicContact CE3-CG 4.29Å; W188-R264 HydrophobicContact CH2-CG 4.06Å; W188-R264 HydrophobicContact CZ3-CB 4.22Å; W188-R264 HydrophobicContact CZ3-CG 3.65Å; W188-R264 PolarHBondContact O-NH1 3.44Å; L255-R264 PolarHBondContact N-O 3.05Å; L255-R264 PolarHBondContact O-N 2.83Å
265T92.3Very high94.2Very high21 Ų2141.8 Ų41.813%0.12922%0.218CC..EExtended strand (participates in β ladder)trans-94128169.7-51.70000109.7D64 F66 S252 F253D64-T265 PolarHBondContact O-OG1 3.09Å; F66-T265 HydrophobicContact CD2-CG2 3.64Å; F66-T265 HydrophobicContact CE2-CG2 4.12Å; S252-T265 WeakPolarHBondContact OG-CG2 3.29Å; F253-T265 WeakPolarHBondContact O-CA 3.48Å
266V94.6Very high93.4Very high1 Ų146.5 Ų46.51%0.00624%0.243CC..EExtended strand (participates in β ladder)trans-120.6128.2177.9-177.10000108.7V187 V193 I195 F253 L255V187-V266 HydrophobicContact CG1-CG1 4.3Å; V187-V266 HydrophobicContact CG1-CG2 4.1Å; V193-V266 WeakPolarHBondContact O-CA 3.26Å; I195-V266 HydrophobicContact CD1-CG1 3.72Å; I195-V266 HydrophobicContact CG1-CG1 3.78Å; F253-V266 HydrophobicContact CB-CB 4.43Å; F253-V266 PolarHBondContact N-O 3.31Å; F253-V266 PolarHBondContact O-N 2.76Å; L255-V266 HydrophobicContact CB-CG2 4.17Å; L255-V266 HydrophobicContact CD2-CG2 4.09Å
267T95.1Very high92.6Very high13 Ų1352 Ų528%0.0827%0.27CS..EExtended strand (participates in β ladder)trans-103121.8178.6-54.10000109.7V193 V194 I195 I250 R251 F269V193-T267 PolarHBondContact O-N 2.77Å; V194-T267 CarbonylContact C-O 3.53Å; V194-T267 WeakPolarHBondContact CA-O 3.33Å; I195-T267 PolarHBondContact N-O 3Å; I250-T267 HydrophobicContact CG2-CG2 3.64Å; R251-T267 CarbonylContact O-C 3.46Å; R251-T267 WeakPolarHBondContact O-CA 3.39Å; T267-F269 HydrophobicContact CG2-CD2 4.08Å; T267-F269 HydrophobicContact CG2-CE2 3.56Å; T267-F269 HydrophobicContact CG2-CZ 4.13Å
268Q97.1Very high91.9Very high0 Ų053.7 Ų53.70%028%0.279CS..EExtended strand (participates in β ladder)trans-100.6128.1172.8178.6-162.869.500110.2I195 C197 Y222 I250 R251 F253 H270I195-Q268 HydrophobicContact CB-CB 4.28Å; I195-Q268 HydrophobicContact CB-CG 4.33Å; I195-Q268 HydrophobicContact CG2-CG 4.41Å; I195-Q268 CarbonylContact O-C 3.55Å; I195-Q268 WeakPolarHBondContact O-CA 3.36Å; C197-Q268 HydrophobicContact CB-CG 4.33Å; Y222-Q268 PolarHBondContact OH-NE2 3.45Å; I250-Q268 CarbonylContact C-O 3.59Å; I250-Q268 WeakPolarHBondContact CA-O 3.47Å; R251-Q268 HydrophobicContact CB-CB 4.36Å; R251-Q268 PolarHBondContact N-O 3.14Å; R251-Q268 PolarHBondContact O-N 3.33Å; F253-Q268 HydrophobicContact CD2-CB 4.18Å; F253-Q268 HydrophobicContact CE2-CB 3.46Å; F253-Q268 VanDerWaalsContact CE2-CB 3.46Å; F253-Q268 HydrophobicContact CE2-CG 4.27Å; F253-Q268 HydrophobicContact CZ-CB 4.21Å; Q268-H270 HydrophobicContact CG-CB 4.44Å
269F97.4Very high91.4Very high0 Ų050.4 Ų50.40%026%0.262CS..EExtended strand (participates in β ladder)trans-103.3113.7170-70.3-99.9000107.8L68 V194 I195 V196 C197 I250 T267 F289 K292 V293L68-F269 HydrophobicContact CD1-CE1 3.74Å; L68-F269 HydrophobicContact CD1-CZ 3.49Å; L68-F269 VanDerWaalsContact CD1-CZ 3.49Å; V194-F269 HydrophobicContact CG1-CD2 3.79Å; V194-F269 HydrophobicContact CG1-CE2 3.86Å; I195-F269 PolarHBondContact O-N 2.93Å; V196-F269 CarbonylContact C-O 3.52Å; V196-F269 WeakPolarHBondContact CA-O 3.45Å; V196-F269 HydrophobicContact CG2-CB 4.47Å; C197-F269 PolarHBondContact N-O 3.24Å; I250-F269 HydrophobicContact CD1-CD1 3.57Å; I250-F269 HydrophobicContact CD1-CE1 3.32Å; I250-F269 HydrophobicContact CD1-CZ 4.17Å; I250-F269 HydrophobicContact CG1-CD1 3.75Å; I250-F269 HydrophobicContact CG1-CE1 3.99Å; I250-F269 HydrophobicContact CG1-CG 4.45Å; T267-F269 HydrophobicContact CG2-CD2 4.08Å; T267-F269 HydrophobicContact CG2-CE2 3.56Å; T267-F269 HydrophobicContact CG2-CZ 4.13Å; F269-F289 HydrophobicContact CB-CE2 3.56Å; F269-F289 HydrophobicContact CB-CZ 3.53Å; F269-F289 HydrophobicContact CD1-CE2 4.25Å; F269-F289 HydrophobicContact CG-CE2 4.43Å; F269-K292 HydrophobicContact CE1-CB 4.2Å; F269-K292 HydrophobicContact CE1-CG 3.84Å; F269-V293 HydrophobicContact CB-CG2 3.8Å; F269-V293 HydrophobicContact CD1-CB 4.46Å; F269-V293 HydrophobicContact CD1-CG2 3.46Å; F269-V293 VanDerWaalsContact CD1-CG2 3.46Å; F269-V293 HydrophobicContact CD2-CG2 4.01Å; F269-V293 HydrophobicContact CE1-CB 4.48Å; F269-V293 HydrophobicContact CE1-CG2 3.93Å; F269-V293 HydrophobicContact CE2-CG2 4.44Å; F269-V293 HydrophobicContact CG-CG2 3.5Å; F269-V293 HydrophobicContact CZ-CG2 4.4Å
270H97.2Very high90.9Very high0 Ų049 Ų490%025%0.249CC..EExtended strand (participates in β ladder)trans-118.2109.5-173.7178.2-165.6000109.8C197 E199 T201 Y248 I249 R251 Q268C197-H270 HydrophobicContact CB-CB 4.05Å; C197-H270 WeakPolarHBondContact O-CA 3.5Å; C197-H270 PolarHBondContact SG-CD2 2.68Å; E199-H270 PolarHBondContact O-CD2 3.43Å; E199-H270 VanDerWaalsContact O-CD2 3.24Å; E199-H270 PolarHBondContact O-NE2 2.79Å; T201-H270 PolarHBondContact OG1-CE1 2.99Å; Y248-H270 VanDerWaalsContact CA-O 3.27Å; Y248-H270 WeakPolarHBondContact CA-O 3.26Å; Y248-H270 WeakPolarHBondContact CB-O 3.47Å; I249-H270 HydrophobicContact CD1-CB 4.33Å; I249-H270 HydrophobicContact CG1-CB 3.74Å; I249-H270 PolarHBondContact N-O 3.08Å; I249-H270 PolarHBondContact O-N 3.28Å; R251-H270 PolarHBondContact NH1-ND1 3.09Å; R251-H270 VanDerWaalsContact NH1-ND1 3.12Å; Q268-H270 HydrophobicContact CG-CB 4.44Å
271Y96.1Very high90.5Very high0 Ų053 Ų530%026%0.263CS..EExtended strand (participates in β ladder)trans-84.1127.1178.4-157.5-74.5000109.6C197 N247 T273 W274 N282 P285 M286 F289C197-Y271 PolarHBondContact O-N 2.94Å; N247-Y271 HydrophobicContact CB-CE1 4.48Å; N247-Y271 HydrophobicContact CB-CE2 4.46Å; Y271-T273 WeakPolarHBondContact CE1-OG1 3.23Å; Y271-W274 HydrophobicContact CD1-CB 3.55Å; Y271-W274 HydrophobicContact CD1-CG 4.48Å; Y271-W274 HydrophobicContact CE1-CB 3.62Å; Y271-W274 HydrophobicContact CE1-CG 4.33Å; Y271-N282 WeakPolarHBondContact CE1-OD1 3.35Å; Y271-N282 PolarHBondContact OH-OD1 3.36Å; Y271-P285 WeakPolarHBondContact OH-CB 3.03Å; Y271-P285 VanDerWaalsContact OH-CG 3.26Å; Y271-P285 WeakPolarHBondContact OH-CG 3.21Å; Y271-M286 HydrophobicContact CD1-CE 4.27Å; Y271-M286 HydrophobicContact CD2-CE 3.75Å; Y271-M286 HydrophobicContact CD2-SD 4.16Å; Y271-M286 HydrophobicContact CE1-CE 4.23Å; Y271-M286 HydrophobicContact CE2-CB 4.42Å; Y271-M286 HydrophobicContact CE2-CE 3.71Å; Y271-M286 HydrophobicContact CE2-SD 4.13Å; Y271-M286 HydrophobicContact CG-CE 4.03Å; Y271-F289 HydrophobicContact CD2-CB 3.92Å; Y271-F289 AromaticContact CD2-CD1 3.83Å; Y271-F289 HydrophobicContact CD2-CD1 3.83Å; Y271-F289 AromaticContact CD2-CD2 3.84Å; Y271-F289 HydrophobicContact CD2-CD2 3.84Å; Y271-F289 HydrophobicContact CD2-CE1 4.23Å; Y271-F289 HydrophobicContact CD2-CE2 4.19Å; Y271-F289 AromaticContact CD2-CG 3.61Å; Y271-F289 HydrophobicContact CD2-CG 3.61Å; Y271-F289 HydrophobicContact CD2-CZ 4.38Å; Y271-F289 HydrophobicContact CE2-CB 3.94Å; Y271-F289 HydrophobicContact CE2-CG 4.16Å
272L94Very high90.2Very high43 Ų4348.3 Ų48.323%0.22524%0.237CC..  trans-104.3-24.3-164.2-61.7-173.1000114.5R200 T201 N247 I249R200-L272 WeakPolarHBondContact CD-O 3.47Å; R200-L272 VanDerWaalsContact CG-O 3.24Å; R200-L272 WeakPolarHBondContact CG-O 3.38Å; T201-L272 VanDerWaalsContact OG1-CD2 3.31Å; T201-L272 WeakPolarHBondContact OG1-CD2 3.47Å; N247-L272 PolarHBondContact O-N 2.81Å; I249-L272 HydrophobicContact CD1-CD2 4.16Å; I249-L272 HydrophobicContact CG1-CD1 4.47Å; I249-L272 HydrophobicContact CG1-CD2 4.26Å; I249-L272 HydrophobicContact CG2-CD1 3.67Å; I249-L272 HydrophobicContact CG2-CG 4.47Å
273T90.7Very high90.1Very high41 Ų4143.1 Ų43.125%0.25221%0.214SC..  trans-116.25.8-165.151.70000114.4D246 N247 Y271 K275D246-T273 WeakPolarHBondContact O-CG2 3.4Å; N247-T273 WeakPolarHBondContact CA-OG1 3.31Å; N247-T273 WeakPolarHBondContact CB-OG1 3.29Å; N247-T273 PolarHBondContact OD1-OG1 3.14Å; Y271-T273 WeakPolarHBondContact CE1-OG1 3.23Å; T273-K275 PolarHBondContact O-N 2.81Å
274W90.1Very high90.1Very high1 Ų147 Ų470%0.00423%0.226CC..  trans-81.6101.6-176.5-154.624.7000111.2L198 Y271 L279 M286 R314 A317 F360L198-W274 HydrophobicContact CB-CE3 4.3Å; L198-W274 HydrophobicContact CB-CZ3 4.41Å; L198-W274 HydrophobicContact CD1-CZ3 4Å; L198-W274 HydrophobicContact CD2-CE3 3.94Å; L198-W274 HydrophobicContact CD2-CZ3 3.87Å; L198-W274 HydrophobicContact CG-CZ3 4.29Å; Y271-W274 HydrophobicContact CD1-CB 3.55Å; Y271-W274 HydrophobicContact CD1-CG 4.48Å; Y271-W274 HydrophobicContact CE1-CB 3.62Å; Y271-W274 HydrophobicContact CE1-CG 4.33Å; W274-L279 HydrophobicContact CZ2-CD2 4.21Å; W274-M286 HydrophobicContact CD2-CE 3.45Å; W274-M286 VanDerWaalsContact CD2-CE 3.45Å; W274-M286 HydrophobicContact CE3-CE 3.44Å; W274-M286 VanDerWaalsContact CE3-CE 3.44Å; W274-M286 HydrophobicContact CG-CE 3.98Å; W274-M286 HydrophobicContact CH2-CE 4.07Å; W274-M286 HydrophobicContact CZ2-CE 4.09Å; W274-M286 HydrophobicContact CZ3-CE 3.74Å; W274-R314 HydrophobicContact CD2-CG 4.21Å; W274-R314 HydrophobicContact CE3-CB 3.81Å; W274-R314 HydrophobicContact CE3-CG 3.78Å; W274-R314 HydrophobicContact CH2-CB 4.19Å; W274-R314 HydrophobicContact CH2-CG 4.46Å; W274-R314 VanDerWaalsContact CH2-O 3.31Å; W274-R314 WeakPolarHBondContact CH2-O 3.44Å; W274-R314 HydrophobicContact CZ3-CB 3.55Å; W274-R314 HydrophobicContact CZ3-CG 3.94Å; W274-R314 VanDerWaalsContact CZ3-O 3.28Å; W274-R314 WeakPolarHBondContact CZ3-O 3.03Å; W274-R314 PolarHBondContact O-NH1 2.93Å; W274-A317 HydrophobicContact CH2-CB 3.84Å; W274-A317 HydrophobicContact CZ2-CB 4.18Å; W274-F360 HydrophobicContact CH2-CE1 4.29Å; W274-F360 AromaticContact CZ2-CD1 3.9Å; W274-F360 HydrophobicContact CZ2-CD1 3.9Å; W274-F360 AromaticContact CZ2-CE1 3.47Å; W274-F360 HydrophobicContact CZ2-CE1 3.47Å; W274-F360 VanDerWaalsContact CZ2-CE1 3.47Å; W274-F360 AromaticContact CZ2-CZ 3.93Å; W274-F360 HydrophobicContact CZ2-CZ 3.93Å
275K86.3Confident90Very high83 Ų8344.1 Ų44.136%0.36122%0.217SC..  trans-108.8153173.5-56.2-178.6173.3-174.90109.8T273 E277 N278 L279T273-K275 PolarHBondContact O-N 2.81Å; K275-E277 PolarHBondContact O-N 2.87Å; K275-N278 WeakPolarHBondContact CA-OD1 3.4Å; K275-N278 VanDerWaalsContact CB-OD1 3.3Å; K275-N278 WeakPolarHBondContact CB-OD1 3.29Å; K275-N278 PolarHBondContact N-OD1 2.82Å; K275-N278 VanDerWaalsContact N-OD1 3.07Å; K275-N278 PolarHBondContact O-N 2.93Å; K275-N278 PolarHBondContact O-OD1 2.69Å; K275-L279 PolarHBondContact O-N 3.06Å
276D80Confident90.1Very high101 Ų10143.1 Ų43.154%0.5421%0.211SC..G310 helixtrans-62.9-27.4176.4-66.6-35.2000111.8N278 L279 Q357D276-N278 VanDerWaalsContact C-N 3.33Å; D276-N278 PolarHBondContact O-N 2.82Å; D276-L279 WeakPolarHBondContact O-CG 3.39Å; D276-Q357 PolarHBondContact OD1-NE2 3.45Å
277E80.1Confident90.1Very high173 Ų17343.2 Ų43.281%0.80821%0.211SC*.G310 helixtrans-73.2-21.6-179.4-61.4152.8165.500113.7K275K275-E277 PolarHBondContact O-N 2.87Å
278N81.4Confident90Very high42 Ų4246.9 Ų46.923%0.22523%0.227CC..G310 helixtrans-13232.9-172.971.3-8.2000112.8K275 D276 M280 E281 N282K275-N278 WeakPolarHBondContact CA-OD1 3.4Å; K275-N278 VanDerWaalsContact CB-OD1 3.3Å; K275-N278 WeakPolarHBondContact CB-OD1 3.29Å; K275-N278 PolarHBondContact N-OD1 2.82Å; K275-N278 VanDerWaalsContact N-OD1 3.07Å; K275-N278 PolarHBondContact O-N 2.93Å; K275-N278 PolarHBondContact O-OD1 2.69Å; D276-N278 VanDerWaalsContact C-N 3.33Å; D276-N278 PolarHBondContact O-N 2.82Å; N278-M280 PolarHBondContact O-N 2.91Å; N278-E281 HydrophobicContact CB-CB 4.47Å; N278-E281 PolarHBondContact O-N 3.01Å; N278-N282 PolarHBondContact O-N 3.04Å; N278-N282 PolarHBondContact O-ND2 3.19Å; N278-N282 PolarHBondContact OD1-ND2 3.3Å; N278-N282 VanDerWaalsContact OD1-ND2 3.11Å
279L85.4Confident89.9Confident6 Ų646.9 Ų46.93%0.03123%0.227CC..THydrogen-bonded Turntrans-53.7-50.1-177.9-68.7170000112W274 K275 D276 E281 N282 E356 Q357 F360W274-L279 HydrophobicContact CZ2-CD2 4.21Å; K275-L279 PolarHBondContact O-N 3.06Å; D276-L279 WeakPolarHBondContact O-CG 3.39Å; L279-E281 VanDerWaalsContact C-N 3.34Å; L279-E281 PolarHBondContact O-N 3.19Å; L279-N282 WeakPolarHBondContact O-CB 3.11Å; L279-N282 PolarHBondContact O-N 2.96Å; L279-E356 HydrophobicContact CD1-CB 3.91Å; L279-Q357 HydrophobicContact CD1-CG 3.77Å; L279-F360 HydrophobicContact CB-CB 4.28Å; L279-F360 HydrophobicContact CB-CD2 4.17Å; L279-F360 HydrophobicContact CB-CG 4.39Å; L279-F360 WeakPolarHBondContact O-CD2 3.46Å; L279-F360 WeakPolarHBondContact O-CE2 3.42Å
280M85Confident89.8Confident83 Ų8347.2 Ų47.241%0.40923%0.229SC..G310 helixtrans-64.3-37-175.5-58.5-59.5-89.200112.8N278 N282 S283 E359 F360N278-M280 PolarHBondContact O-N 2.91Å; M280-N282 PolarHBondContact O-N 3.2Å; M280-S283 PolarHBondContact O-N 2.92Å; M280-E359 HydrophobicContact CE-CG 3.97Å; M280-E359 HydrophobicContact SD-CG 4.38Å; M280-F360 HydrophobicContact SD-CB 4.24Å
281E85.8Confident89.6Confident156 Ų15648.4 Ų48.473%0.72923%0.233SC*.G310 helixtrans-64.6-22.7176.8-61.8176.8178.200112.3N278 L279 S283N278-E281 HydrophobicContact CB-CB 4.47Å; N278-E281 PolarHBondContact O-N 3.01Å; L279-E281 VanDerWaalsContact C-N 3.34Å; L279-E281 PolarHBondContact O-N 3.19Å; E281-S283 VanDerWaalsContact C-N 3.35Å
282N86.7Confident89.3Confident5 Ų548.5 Ų48.53%0.02723%0.234CC..G310 helixtrans-86.63.2-179.9-81.6-86.2000114Y271 N278 L279 M280 P285 M286Y271-N282 WeakPolarHBondContact CE1-OD1 3.35Å; Y271-N282 PolarHBondContact OH-OD1 3.36Å; N278-N282 PolarHBondContact O-N 3.04Å; N278-N282 PolarHBondContact O-ND2 3.19Å; N278-N282 PolarHBondContact OD1-ND2 3.3Å; N278-N282 VanDerWaalsContact OD1-ND2 3.11Å; L279-N282 WeakPolarHBondContact O-CB 3.11Å; L279-N282 PolarHBondContact O-N 2.96Å; M280-N282 PolarHBondContact O-N 3.2Å; N282-P285 WeakPolarHBondContact O-CD 3.45Å; N282-P285 WeakPolarHBondContact O-CG 3.4Å; N282-M286 WeakPolarHBondContact O-CB 3.21Å; N282-M286 PolarHBondContact O-N 2.92Å
283S91.4Very high89.3Confident4 Ų446.5 Ų46.53%0.02822%0.223CC..Hα-helixtrans-58.1-57.9-175.8-170.30000112.7M280 E281 M286 L287 S364 E367M280-S283 PolarHBondContact O-N 2.92Å; E281-S283 VanDerWaalsContact C-N 3.35Å; S283-M286 PolarHBondContact O-N 3.35Å; S283-L287 VanDerWaalsContact O-CG 3.32Å; S283-L287 WeakPolarHBondContact O-CG 3.04Å; S283-L287 PolarHBondContact O-N 3.27Å; S283-S364 WeakPolarHBondContact CB-OG 3.37Å; S283-S364 VanDerWaalsContact OG-CA 3.28Å; S283-S364 WeakPolarHBondContact OG-CA 3.39Å; S283-S364 WeakPolarHBondContact OG-CB 3.33Å; S283-S364 PolarHBondContact OG-OG 2.92Å; S283-E367 PolarHBondContact OG-OE2 3.17Å
284K91.7Very high89.4Confident137 Ų13746.7 Ų46.760%0.59622%0.223SC*.Hα-helixtrans-53.1-57.5176.8-71.8-179.2-179.81800114.1M286 L287 E288 E367K284-M286 VanDerWaalsContact C-N 3.26Å; K284-M286 PolarHBondContact O-N 2.94Å; K284-L287 PolarHBondContact O-N 3.13Å; K284-E288 PolarHBondContact O-N 2.71Å; K284-E367 WeakPolarHBondContact CE-OE1 3.41Å; K284-E367 WeakPolarHBondContact CG-OE1 3.48Å
285P92.4Very high89.2Confident17 Ų1750 Ų5011%0.1124%0.235CC..Hα-helixtrans-64.7-29.8-179.424.5-34000112.7N247 Y271 N282 F289N247-P285 HydrophobicContact CB-CB 3.96Å; N247-P285 WeakPolarHBondContact ND2-CB 3.47Å; Y271-P285 WeakPolarHBondContact OH-CB 3.03Å; Y271-P285 VanDerWaalsContact OH-CG 3.26Å; Y271-P285 WeakPolarHBondContact OH-CG 3.21Å; N282-P285 WeakPolarHBondContact O-CD 3.45Å; N282-P285 WeakPolarHBondContact O-CG 3.4Å; P285-F289 WeakPolarHBondContact O-CB 3.48Å; P285-F289 PolarHBondContact O-N 2.84Å
286M94.7Very high89.1Confident0 Ų046.5 Ų46.50%022%0.221CC..Hα-helixtrans-68-41.9173.2-174.858.66800112.2L198 Y271 W274 N282 S283 K284 F289 R290 Y318 L321 F360L198-M286 HydrophobicContact CD2-CE 4.43Å; Y271-M286 HydrophobicContact CD1-CE 4.27Å; Y271-M286 HydrophobicContact CD2-CE 3.75Å; Y271-M286 HydrophobicContact CD2-SD 4.16Å; Y271-M286 HydrophobicContact CE1-CE 4.23Å; Y271-M286 HydrophobicContact CE2-CB 4.42Å; Y271-M286 HydrophobicContact CE2-CE 3.71Å; Y271-M286 HydrophobicContact CE2-SD 4.13Å; Y271-M286 HydrophobicContact CG-CE 4.03Å; W274-M286 HydrophobicContact CD2-CE 3.45Å; W274-M286 VanDerWaalsContact CD2-CE 3.45Å; W274-M286 HydrophobicContact CE3-CE 3.44Å; W274-M286 VanDerWaalsContact CE3-CE 3.44Å; W274-M286 HydrophobicContact CG-CE 3.98Å; W274-M286 HydrophobicContact CH2-CE 4.07Å; W274-M286 HydrophobicContact CZ2-CE 4.09Å; W274-M286 HydrophobicContact CZ3-CE 3.74Å; N282-M286 WeakPolarHBondContact O-CB 3.21Å; N282-M286 PolarHBondContact O-N 2.92Å; S283-M286 PolarHBondContact O-N 3.35Å; K284-M286 VanDerWaalsContact C-N 3.26Å; K284-M286 PolarHBondContact O-N 2.94Å; M286-F289 PolarHBondContact O-N 3.25Å; M286-F289 HydrophobicContact SD-CD1 3.86Å; M286-R290 VanDerWaalsContact O-CB 3.25Å; M286-R290 WeakPolarHBondContact O-CB 2.98Å; M286-R290 PolarHBondContact O-N 2.91Å; M286-Y318 HydrophobicContact SD-CD2 3.69Å; M286-Y318 HydrophobicContact SD-CE2 4.1Å; M286-L321 HydrophobicContact CG-CD2 4.1Å; M286-F360 HydrophobicContact CB-CZ 4Å; M286-F360 HydrophobicContact CG-CE1 4.42Å; M286-F360 HydrophobicContact CG-CZ 3.92Å
287L94.5Very high88.9Confident2 Ų246.9 Ų46.91%0.0122%0.218CC..Hα-helixtrans-63.9-41.8176.5-70.9170.1000111.5S283 K284 R290 R291 L321 L325 E367 E368S283-L287 VanDerWaalsContact O-CG 3.32Å; S283-L287 WeakPolarHBondContact O-CG 3.04Å; S283-L287 PolarHBondContact O-N 3.27Å; K284-L287 PolarHBondContact O-N 3.13Å; L287-R290 PolarHBondContact O-N 3.38Å; L287-R291 WeakPolarHBondContact O-CG 3.26Å; L287-R291 PolarHBondContact O-N 3.32Å; L287-L321 HydrophobicContact CD2-CD1 4.32Å; L287-L321 HydrophobicContact CD2-CD2 4.23Å; L287-L325 HydrophobicContact CD2-CD1 3.66Å; L287-E367 HydrophobicContact CD1-CB 4.29Å; L287-E367 HydrophobicContact CD1-CG 4.22Å; L287-E368 HydrophobicContact CD1-CB 4.14Å; L287-E368 WeakPolarHBondContact CD1-OE2 3.33Å; L287-E368 HydrophobicContact CD2-CB 3.86Å; L287-E368 HydrophobicContact CD2-CG 4.22Å
288E92.5Very high88.7Confident90 Ų9042 Ų4242%0.42119%0.192SC..Hα-helixtrans-61.7-48.5172.4-71.6179177.200112.2K284 R290 R291 K292K284-E288 PolarHBondContact O-N 2.71Å; E288-R290 VanDerWaalsContact C-N 3.32Å; E288-R290 PolarHBondContact O-N 3.42Å; E288-R291 VanDerWaalsContact CG-NH2 3.28Å; E288-R291 PolarHBondContact O-N 3.09Å; E288-K292 PolarHBondContact O-N 3.23Å
289F94.5Very high88.1Confident0 Ų041.4 Ų41.40%020%0.196CC..Hα-helixtrans-56.6-46.3175.9174-100.8000111.5V196 L198 Y248 F269 Y271 P285 M286 K292 V293 Y318V196-F289 HydrophobicContact CG1-CE1 3.77Å; V196-F289 HydrophobicContact CG1-CZ 3.97Å; L198-F289 HydrophobicContact CD2-CE1 4.39Å; Y248-F289 HydrophobicContact CD1-CB 4.08Å; Y248-F289 AromaticContact CD1-CD2 3.89Å; Y248-F289 HydrophobicContact CD1-CD2 3.89Å; Y248-F289 HydrophobicContact CD1-CG 4.46Å; Y248-F289 AromaticContact CD2-CD2 3.73Å; Y248-F289 HydrophobicContact CD2-CD2 3.73Å; Y248-F289 HydrophobicContact CD2-CE2 4.26Å; Y248-F289 HydrophobicContact CE1-CB 4.18Å; Y248-F289 HydrophobicContact CE1-CD2 4.46Å; Y248-F289 HydrophobicContact CE2-CD2 4.3Å; Y248-F289 AromaticContact CG-CD2 3.49Å; Y248-F289 HydrophobicContact CG-CD2 3.49Å; Y248-F289 VanDerWaalsContact CG-CD2 3.49Å; Y248-F289 HydrophobicContact CG-CE2 4.14Å; Y248-F289 HydrophobicContact CG-CG 4.47Å; F269-F289 HydrophobicContact CB-CE2 3.56Å; F269-F289 HydrophobicContact CB-CZ 3.53Å; F269-F289 HydrophobicContact CD1-CE2 4.25Å; F269-F289 HydrophobicContact CG-CE2 4.43Å; Y271-F289 HydrophobicContact CD2-CB 3.92Å; Y271-F289 AromaticContact CD2-CD1 3.83Å; Y271-F289 HydrophobicContact CD2-CD1 3.83Å; Y271-F289 AromaticContact CD2-CD2 3.84Å; Y271-F289 HydrophobicContact CD2-CD2 3.84Å; Y271-F289 HydrophobicContact CD2-CE1 4.23Å; Y271-F289 HydrophobicContact CD2-CE2 4.19Å; Y271-F289 AromaticContact CD2-CG 3.61Å; Y271-F289 HydrophobicContact CD2-CG 3.61Å; Y271-F289 HydrophobicContact CD2-CZ 4.38Å; Y271-F289 HydrophobicContact CE2-CB 3.94Å; Y271-F289 HydrophobicContact CE2-CG 4.16Å; P285-F289 WeakPolarHBondContact O-CB 3.48Å; P285-F289 PolarHBondContact O-N 2.84Å; M286-F289 PolarHBondContact O-N 3.25Å; M286-F289 HydrophobicContact SD-CD1 3.86Å; F289-K292 VanDerWaalsContact O-CB 3.28Å; F289-K292 WeakPolarHBondContact O-CB 3.42Å; F289-K292 PolarHBondContact O-N 2.84Å; F289-V293 HydrophobicContact CD1-CG2 4.24Å; F289-V293 HydrophobicContact CE1-CG2 3.95Å; F289-V293 HydrophobicContact CE2-CG2 4.46Å; F289-V293 HydrophobicContact CZ-CG2 4.09Å; F289-V293 WeakPolarHBondContact O-CG2 2.98Å; F289-V293 PolarHBondContact O-N 2.91Å; F289-Y318 AromaticContact CD1-CE2 3.86Å; F289-Y318 HydrophobicContact CD1-CE2 3.86Å; F289-Y318 HydrophobicContact CE1-CD2 4.43Å; F289-Y318 AromaticContact CE1-CE2 3.78Å; F289-Y318 HydrophobicContact CE1-CE2 3.78Å
290R95.4Very high87.4Confident8 Ų849 Ų493%0.0324%0.236CC..Hα-helixtrans-59.9-47.2176.1-179.8-161.2162.3-96.4-9.9111.9M286 L287 E288 K292 V293 N294 Y318 D322 N326M286-R290 VanDerWaalsContact O-CB 3.25Å; M286-R290 WeakPolarHBondContact O-CB 2.98Å; M286-R290 PolarHBondContact O-N 2.91Å; L287-R290 PolarHBondContact O-N 3.38Å; E288-R290 VanDerWaalsContact C-N 3.32Å; E288-R290 PolarHBondContact O-N 3.42Å; R290-K292 PolarHBondContact O-N 2.81Å; R290-V293 PolarHBondContact O-N 2.92Å; R290-N294 PolarHBondContact O-N 3.32Å; R290-N294 PolarHBondContact O-ND2 3.3Å; R290-Y318 HydrophobicContact CB-CE2 4.41Å; R290-D322 HydrophobicContact CG-CB 4.47Å; R290-D322 IonicContact CZ-OD1 2.68Å; R290-D322 VanDerWaalsContact CZ-OD1 3.29Å; R290-D322 IonicContact NE-OD1 2.67Å; R290-D322 PolarHBondContact NE-OD1 3.17Å; R290-D322 PolarHBondContact NH2-O 2.85Å; R290-D322 IonicContact NH2-OD1 3.59Å; R290-D322 PolarHBondContact NH2-OD1 3.02Å; R290-N326 VanDerWaalsContact NH2-CG 3.34Å; R290-N326 PolarHBondContact NH2-OD1 2.81Å
291R92.5Very high87.2Confident24 Ų2450.6 Ų50.69%0.09124%0.243CC..Hα-helixtrans-57.8-41.1175.9-76.4-170.2-69.2-81.31.6110.6E73 L287 E288 N294 R295 E368E73-R291 HydrophobicContact CB-CB 3.97Å; E73-R291 PolarHBondContact O-NE 3.02Å; L287-R291 WeakPolarHBondContact O-CG 3.26Å; L287-R291 PolarHBondContact O-N 3.32Å; E288-R291 VanDerWaalsContact CG-NH2 3.28Å; E288-R291 PolarHBondContact O-N 3.09Å; R291-N294 PolarHBondContact O-N 3.12Å; R291-R295 WeakPolarHBondContact O-CB 3.28Å; R291-R295 WeakPolarHBondContact O-CG 3.33Å; R291-R295 PolarHBondContact O-N 3.15Å; R291-E368 IonicContact CZ-OE1 3.87Å; R291-E368 IonicContact CZ-OE2 3.89Å; R291-E368 IonicContact NH1-OE1 2.64Å; R291-E368 PolarHBondContact NH1-OE1 2.9Å; R291-E368 IonicContact NH1-OE2 3.92Å; R291-E368 PolarHBondContact NH1-OE2 3.45Å
292K91.1Very high87.5Confident3 Ų343.9 Ų43.91%0.01321%0.213CC..Hα-helixtrans-63.1-46.7176.8-159.172.1175.4174.40112.6L68 N69 E73 I250 F269 E288 F289 R290 N294 R295 S296L68-K292 HydrophobicContact CD1-CG 4.19Å; N69-K292 PolarHBondContact O-NZ 3.14Å; E73-K292 HydrophobicContact CG-CD 3.76Å; E73-K292 WeakPolarHBondContact OE1-CD 3.35Å; E73-K292 IonicContact OE1-NZ 4Å; E73-K292 PolarHBondContact OE1-NZ 3.32Å; I250-K292 HydrophobicContact CD1-CG 3.91Å; F269-K292 HydrophobicContact CE1-CB 4.2Å; F269-K292 HydrophobicContact CE1-CG 3.84Å; E288-K292 PolarHBondContact O-N 3.23Å; F289-K292 VanDerWaalsContact O-CB 3.28Å; F289-K292 WeakPolarHBondContact O-CB 3.42Å; F289-K292 PolarHBondContact O-N 2.84Å; R290-K292 PolarHBondContact O-N 2.81Å; K292-N294 VanDerWaalsContact C-N 3.34Å; K292-N294 PolarHBondContact O-N 2.92Å; K292-R295 PolarHBondContact O-N 3.38Å; K292-S296 PolarHBondContact O-N 3.09Å
293V93.5Very high88Confident0 Ų043.7 Ų43.70%021%0.213CC..Hα-helixtrans-58.4-45.2176169.80000110.9V194 V196 F269 F289 R290 R295 S296 R298 Y318V194-V293 HydrophobicContact CG1-CG1 4.23Å; V196-V293 HydrophobicContact CG2-CG1 3.85Å; V196-V293 HydrophobicContact CG2-CG2 3.98Å; F269-V293 HydrophobicContact CB-CG2 3.8Å; F269-V293 HydrophobicContact CD1-CB 4.46Å; F269-V293 HydrophobicContact CD1-CG2 3.46Å; F269-V293 VanDerWaalsContact CD1-CG2 3.46Å; F269-V293 HydrophobicContact CD2-CG2 4.01Å; F269-V293 HydrophobicContact CE1-CB 4.48Å; F269-V293 HydrophobicContact CE1-CG2 3.93Å; F269-V293 HydrophobicContact CE2-CG2 4.44Å; F269-V293 HydrophobicContact CG-CG2 3.5Å; F269-V293 HydrophobicContact CZ-CG2 4.4Å; F289-V293 HydrophobicContact CD1-CG2 4.24Å; F289-V293 HydrophobicContact CE1-CG2 3.95Å; F289-V293 HydrophobicContact CE2-CG2 4.46Å; F289-V293 HydrophobicContact CZ-CG2 4.09Å; F289-V293 WeakPolarHBondContact O-CG2 2.98Å; F289-V293 PolarHBondContact O-N 2.91Å; R290-V293 PolarHBondContact O-N 2.92Å; V293-R295 PolarHBondContact O-N 3.28Å; V293-S296 WeakPolarHBondContact O-CB 3.43Å; V293-S296 PolarHBondContact O-N 2.79Å; V293-S296 PolarHBondContact O-OG 3.12Å; V293-R298 VanDerWaalsContact CG1-NH2 3.32Å; V293-R298 PolarHBondContact O-NH2 2.81Å; V293-Y318 WeakPolarHBondContact CG1-OH 3.26Å
294N91.3Very high88.3Confident45 Ų4543.6 Ų43.624%0.24121%0.212CC..Hα-helixtrans-76.9-19.3-176.7-75.9-62.5000114.8R290 R291 K292 R298 D322R290-N294 PolarHBondContact O-N 3.32Å; R290-N294 PolarHBondContact O-ND2 3.3Å; R291-N294 PolarHBondContact O-N 3.12Å; K292-N294 VanDerWaalsContact C-N 3.34Å; K292-N294 PolarHBondContact O-N 2.92Å; N294-R298 PolarHBondContact OD1-NH1 2.67Å; N294-D322 PolarHBondContact ND2-OD1 2.68Å
295R86.4Confident88.6Confident71 Ų7137 Ų3727%0.26818%0.183SC..Hα-helixtrans-85.3-10.5172.2-74175.7179.3-103.7-4.3113.6T20 E73 P74 R291 K292 V293T20-R295 HydrophobicContact CG2-CB 4.04Å; T20-R295 HydrophobicContact CG2-CG 4.16Å; E73-R295 VanDerWaalsContact CD-CD 3.42Å; E73-R295 WeakPolarHBondContact OE2-CD 3.23Å; E73-R295 IonicContact OE2-CZ 3.75Å; E73-R295 IonicContact OE2-NE 2.68Å; E73-R295 PolarHBondContact OE2-NE 3.29Å; E73-R295 IonicContact OE2-NH1 3.98Å; E73-R295 PolarHBondContact OE2-NH1 2.99Å; P74-R295 PolarHBondContact O-NH2 3.19Å; R291-R295 WeakPolarHBondContact O-CB 3.28Å; R291-R295 WeakPolarHBondContact O-CG 3.33Å; R291-R295 PolarHBondContact O-N 3.15Å; K292-R295 PolarHBondContact O-N 3.38Å; V293-R295 PolarHBondContact O-N 3.28Å
296S85.5Confident88.9Confident10 Ų1036.2 Ų36.27%0.0718%0.178CC..SBendtrans-68150.5175.174.90000111.8V194 K292 V293 R298V194-S296 WeakPolarHBondContact CG2-OG 3.49Å; K292-S296 PolarHBondContact O-N 3.09Å; V293-S296 WeakPolarHBondContact O-CB 3.43Å; V293-S296 PolarHBondContact O-N 2.79Å; V293-S296 PolarHBondContact O-OG 3.12Å; S296-R298 PolarHBondContact O-N 3.45Å
297F75.9Confident89.1Confident109 Ų10936.2 Ų36.248%0.47818%0.178SC..  trans-59132.8178.5174.7-95.6000111.2M21 F66M21-F297 HydrophobicContact CE-CB 3.76Å; M21-F297 HydrophobicContact CE-CG 4.5Å; M21-F297 HydrophobicContact SD-CB 3.71Å; F66-F297 HydrophobicContact CD1-CB 4.4Å; F66-F297 HydrophobicContact CE1-CB 4.49Å; F66-F297 HydrophobicContact CE1-CD1 4.46Å; F66-F297 HydrophobicContact CE1-CG 4.39Å; F66-F297 HydrophobicContact CZ-CD1 4.49Å
298R74.8Confident89.2Confident69 Ų6936.2 Ų36.226%0.2618%0.178SC..  trans-130.4133.6170.6-69.2-171.5173.214717.5110.1V194 V293 N294 S296 I304V194-R298 HydrophobicContact CG2-CG 4.14Å; V293-R298 VanDerWaalsContact CG1-NH2 3.32Å; V293-R298 PolarHBondContact O-NH2 2.81Å; N294-R298 PolarHBondContact OD1-NH1 2.67Å; S296-R298 PolarHBondContact O-N 3.45Å; R298-I304 VanDerWaalsContact NH1-CD1 3.29Å
299G69.2Low89.3Confident30 Ų3033.5 Ų33.531%0.30917%0.168SC..  trans-65.2161.4166.700000111.5M301 S302G299-M301 PolarHBondContact O-N 3.32Å; G299-S302 PolarHBondContact O-N 2.89Å
300I71.3Confident89.3Confident167 Ų16734.1 Ų34.186%0.85617%0.172SC*.THydrogen-bonded Turntrans-59.7126.9168.7-63.4171.9000107.6S302I300-S302 VanDerWaalsContact C-N 3.33Å; I300-S302 PolarHBondContact O-N 3.16Å
301M80.4Confident89.4Confident115 Ų11533.7 Ų33.757%0.56717%0.17SC*.THydrogen-bonded Turntrans63.329.8177.3-58.9171.15600115.3N166 G299 P303N166-M301 HydrophobicContact CB-CG 4.4Å; N166-M301 WeakPolarHBondContact ND2-CG 3.06Å; N166-M301 WeakPolarHBondContact OD1-CE 3.44Å; G299-M301 PolarHBondContact O-N 3.32Å; M301-P303 WeakPolarHBondContact O-CD 3.26Å
302S91.5Very high89.6Confident15 Ų1532.6 Ų32.611%0.10517%0.166CC..  trans-96.4107171.5163.60000110.6G191 V193 G299 I300G191-S302 WeakPolarHBondContact O-CB 3.43Å; G191-S302 PolarHBondContact O-OG 3.34Å; G191-S302 VanDerWaalsContact O-OG 3.14Å; V193-S302 PolarHBondContact N-OG 3.47Å; G299-S302 PolarHBondContact O-N 2.89Å; I300-S302 VanDerWaalsContact C-N 3.33Å; I300-S302 PolarHBondContact O-N 3.16Å
303P96.3Very high89.8Confident2 Ų232.5 Ų32.51%0.01317%0.166CC..PPolyproline II helixtrans-69152.5175.627.7-31.5000111.6P167 V168 I170 C192 M301P167-P303 HydrophobicContact CB-CB 4.39Å; P167-P303 HydrophobicContact CG-CB 4.36Å; P167-P303 HydrophobicContact CG-CG 4.24Å; V168-P303 VanDerWaalsContact O-CA 3.3Å; V168-P303 WeakPolarHBondContact O-CA 3.43Å; I170-P303 HydrophobicContact CD1-CG 3.85Å; I170-P303 HydrophobicContact CG1-CB 4.03Å; I170-P303 HydrophobicContact CG1-CG 3.89Å; C192-P303 PolarHBondContact SG-O 3.22Å; C192-P303 VanDerWaalsContact SG-O 3.33Å; M301-P303 WeakPolarHBondContact O-CD 3.26Å
304I97.8Very high90Very high1 Ų133.4 Ų33.41%0.00517%0.17CC..EExtended strand (participates in β ladder)trans-79.6126171.3-38.2173.7000108.7V168 Y169 I170 V194 V196 R298 V306V168-I304 PolarHBondContact O-N 3.07Å; Y169-I304 CarbonylContact C-O 3.45Å; Y169-I304 WeakPolarHBondContact CA-O 3.4Å; Y169-I304 HydrophobicContact CD1-CB 4.15Å; Y169-I304 HydrophobicContact CD1-CD1 3.67Å; Y169-I304 HydrophobicContact CD1-CG1 4.07Å; Y169-I304 HydrophobicContact CE1-CD1 3.55Å; Y169-I304 HydrophobicContact CE1-CG1 4.36Å; I170-I304 PolarHBondContact N-O 2.75Å; V194-I304 HydrophobicContact CB-CG2 4.22Å; V194-I304 HydrophobicContact CG1-CG2 3.89Å; V196-I304 HydrophobicContact CG2-CG2 3.76Å; R298-I304 VanDerWaalsContact NH1-CD1 3.29Å; I304-V306 HydrophobicContact CB-CG2 4.2Å; I304-V306 HydrophobicContact CG2-CG2 4Å; I304-V306 PolarHBondContact O-N 3.21Å
305V98.7Very high90.3Very high0 Ų031.2 Ų31.20%016%0.158CC..EExtended strand (participates in β ladder)trans-76.9122.5166-178.10000108I170 T172 F183 M186 V187 C192 V194 I195 V196I170-V305 HydrophobicContact CB-CG2 4.36Å; I170-V305 CarbonylContact O-C 3.52Å; I170-V305 WeakPolarHBondContact O-CA 3.34Å; T172-V305 HydrophobicContact CG2-CG1 3.8Å; F183-V305 HydrophobicContact CE2-CG1 3.91Å; F183-V305 HydrophobicContact CZ-CG1 4.15Å; M186-V305 HydrophobicContact CE-CG1 4.12Å; M186-V305 HydrophobicContact CE-CG2 4.42Å; V187-V305 HydrophobicContact CG2-CG2 4.23Å; C192-V305 HydrophobicContact CB-CG2 3.78Å; C192-V305 VanDerWaalsContact SG-CG2 3.57Å; V194-V305 PolarHBondContact O-N 3.48Å; I195-V305 CarbonylContact C-O 3.54Å; I195-V305 WeakPolarHBondContact CA-O 3.45Å; I195-V305 HydrophobicContact CG1-CB 4.28Å; I195-V305 HydrophobicContact CG2-CB 4.34Å; I195-V305 HydrophobicContact CG2-CG1 4.33Å; V196-V305 PolarHBondContact N-O 2.79Å
306V98.8Very high90.9Very high0 Ų027.9 Ų27.90%015%0.145CC..EExtended strand (participates in β ladder)trans-122.6129.4175.3-171.10000107.7Y169 I170 A171 T172 V196 L198 I304 T315 Y318 I319Y169-V306 HydrophobicContact CD1-CG2 4.35Å; I170-V306 PolarHBondContact O-N 2.82Å; A171-V306 WeakPolarHBondContact CA-O 3.08Å; T172-V306 PolarHBondContact N-O 2.88Å; T172-V306 VanDerWaalsContact N-O 3.14Å; V196-V306 HydrophobicContact CB-CB 4.41Å; V196-V306 HydrophobicContact CB-CG1 4.15Å; V196-V306 HydrophobicContact CB-CG2 4.19Å; V196-V306 HydrophobicContact CG1-CG1 4.07Å; V196-V306 WeakPolarHBondContact O-CA 3.16Å; L198-V306 HydrophobicContact CD1-CG1 3.62Å; L198-V306 HydrophobicContact CG-CG1 4.5Å; I304-V306 HydrophobicContact CB-CG2 4.2Å; I304-V306 HydrophobicContact CG2-CG2 4Å; I304-V306 PolarHBondContact O-N 3.21Å; V306-T315 HydrophobicContact CB-CG2 4.1Å; V306-T315 HydrophobicContact CG1-CG2 3.86Å; V306-Y318 HydrophobicContact CG1-CD1 3.7Å; V306-Y318 HydrophobicContact CG1-CE1 4.34Å; V306-Y318 HydrophobicContact CG1-CG 4.4Å; V306-Y318 HydrophobicContact CG2-CD1 4.18Å; V306-Y318 HydrophobicContact CG2-CE1 4.15Å; V306-I319 HydrophobicContact CB-CD1 3.99Å; V306-I319 HydrophobicContact CB-CG1 4.15Å; V306-I319 HydrophobicContact CG1-CD1 4.37Å; V306-I319 HydrophobicContact CG1-CG1 4.17Å; V306-I319 HydrophobicContact CG2-CD1 4.12Å; V306-I319 HydrophobicContact CG2-CG1 3.99Å
307H98.5Very high91.4Very high0 Ų027.4 Ų27.40%014%0.142CC..EExtended strand (participates in β ladder)trans-144.5153179.379.188.4000113.4T172 T174 V196 C197 L198 Y222 T315T172-H307 HydrophobicContact CG2-CB 3.61Å; T172-H307 WeakPolarHBondContact O-CA 3.18Å; T172-H307 WeakPolarHBondContact O-CB 3.46Å; T174-H307 PolarHBondContact OG1-ND1 3.03Å; V196-H307 PolarHBondContact O-N 3.47Å; C197-H307 WeakPolarHBondContact CA-NE2 3.47Å; C197-H307 VanDerWaalsContact CB-NE2 3.35Å; C197-H307 WeakPolarHBondContact CB-NE2 3.43Å; C197-H307 PolarHBondContact SG-CE1 2.89Å; C197-H307 PolarHBondContact SG-NE2 2.88Å; L198-H307 WeakPolarHBondContact CB-O 3.38Å; L198-H307 PolarHBondContact N-O 3.4Å; Y222-H307 AromaticContact CE1-CE1 3.58Å; Y222-H307 AromaticContact CE1-NE2 3.39Å; Y222-H307 WeakPolarHBondContact CE1-NE2 3.49Å; Y222-H307 AromaticContact CZ-NE2 3.41Å; Y222-H307 PolarHBondContact OH-NE2 3.36Å; H307-T315 WeakPolarHBondContact CA-OG1 3.25Å
308C96.2Very high92.5Very high1 Ų122.2 Ų22.21%0.00712%0.119CC..EExtended strand (participates in β ladder)trans-143.6-174.1164.1620000107.4I173 T174 L198 D310 G311 R314 T315I173-C308 CarbonylContact C-O 3.59Å; T174-C308 PolarHBondContact N-O 2.86Å; T174-C308 PolarHBondContact OG1-O 3.46Å; T174-C308 VanDerWaalsContact OG1-O 3.09Å; L198-C308 HydrophobicContact CB-CB 4.15Å; C308-D310 VanDerWaalsContact C-N 3.32Å; C308-D310 PolarHBondContact O-N 2.82Å; C308-D310 VanDerWaalsContact O-N 3.15Å; C308-D310 PolarHBondContact SG-OD1 2.8Å; C308-G311 PolarHBondContact O-N 3.34Å; C308-G311 VanDerWaalsContact O-N 3.12Å; C308-R314 HydrophobicContact CB-CB 3.94Å; C308-T315 PolarHBondContact N-OG1 2.99Å; C308-T315 PolarHBondContact SG-N 2.81Å; C308-T315 VanDerWaalsContact SG-N 3.36Å; C308-T315 PolarHBondContact SG-OG1 2.92Å
309C95.2Very high93.6Very high33 Ų3319 Ų1922%0.22311%0.107CC..THydrogen-bonded Turntrans-42.7-53.7-178-174.40000114.2R132 T174 E199R132-C309 PolarHBondContact NH1-O 3.37Å; R132-C309 PolarHBondContact NH1-SG 2.61Å; R132-C309 PolarHBondContact NH2-SG 2.88Å; T174-C309 PolarHBondContact OG1-N 3.05Å; E199-C309 WeakPolarHBondContact OE2-CA 3.28Å; E199-C309 WeakPolarHBondContact OE2-CB 3.31Å; E199-C309 PolarHBondContact OE2-N 3.45Å
310D95.5Very high95Very high13 Ų1317.5 Ų17.57%0.079%0.092CC..THydrogen-bonded Turntrans-100.1-5.8-178.86011.5000115C134 A135 C308 C312 G313 R348 K353C134-D310 VanDerWaalsContact O-CB 3.28Å; C134-D310 WeakPolarHBondContact O-CB 2.97Å; A135-D310 HydrophobicContact CB-CB 4.13Å; C308-D310 VanDerWaalsContact C-N 3.32Å; C308-D310 PolarHBondContact O-N 2.82Å; C308-D310 VanDerWaalsContact O-N 3.15Å; C308-D310 PolarHBondContact SG-OD1 2.8Å; D310-C312 PolarHBondContact O-N 2.89Å; D310-C312 PolarHBondContact OD1-N 2.84Å; D310-G313 PolarHBondContact OD1-N 2.56Å; D310-R348 PolarHBondContact O-NH2 3.47Å; D310-K353 WeakPolarHBondContact OD2-CD 3.43Å; D310-K353 WeakPolarHBondContact OD2-CE 3.31Å; D310-K353 IonicContact OD2-NZ 3.35Å; D310-K353 PolarHBondContact OD2-NZ 3.2Å
311G97.3Very high96.3Very high0 Ų09.6 Ų9.60%05%0.051CC..SBendtrans63.720.1-174.300000114.9T172 C308 T315 R348T172-G311 WeakPolarHBondContact O-CA 3.42Å; C308-G311 PolarHBondContact O-N 3.34Å; C308-G311 VanDerWaalsContact O-N 3.12Å; G311-T315 WeakPolarHBondContact O-CG2 3.33Å; G311-R348 PolarHBondContact O-NE 3.11Å
312C96.8Very high97.1Very high0 Ų04.1 Ų4.10%03%0.025CC..SBendtrans-138-42.2-175-660000114.9P136 D310 G316 R348 P349 N350 M351 I352P136-C312 VanDerWaalsContact CD-SG 3.58Å; P136-C312 HydrophobicContact CG-CB 4.4Å; P136-C312 WeakPolarHBondContact CG-SG 3.29Å; D310-C312 PolarHBondContact O-N 2.89Å; D310-C312 PolarHBondContact OD1-N 2.84Å; C312-G316 WeakPolarHBondContact O-CA 3.39Å; C312-G316 PolarHBondContact O-N 2.78Å; C312-R348 PolarHBondContact SG-NE 2.97Å; C312-P349 PolarHBondContact SG-O 3.25Å; C312-N350 WeakPolarHBondContact CB-O 3.35Å; C312-M351 HydrophobicContact CB-SD 4.42Å; C312-I352 PolarHBondContact O-N 2.88Å
313G95.5Very high97.4Very high2 Ų23.4 Ų3.42%0.0212%0.02CC..Hα-helixtrans-68.3-87.9-176.700000112.3D310 T315 G316 A317D310-G313 PolarHBondContact OD1-N 2.56Å; G313-T315 PolarHBondContact O-N 3.44Å; G313-G316 PolarHBondContact O-N 3.41Å; G313-G316 VanDerWaalsContact O-N 3.09Å; G313-A317 PolarHBondContact O-N 3.14Å
314R96.3Very high97.4Very high18 Ų183.3 Ų3.37%0.0682%0.019CC..Hα-helixtrans-54.4-39.8172.8-75.2179.1-71.6-178.80.5112L198 E199 E203 W274 C308 G316 A317 Y318L198-R314 HydrophobicContact CB-CB 4.22Å; L198-R314 HydrophobicContact CD1-CB 4.46Å; L198-R314 PolarHBondContact O-NE 3.2Å; L198-R314 PolarHBondContact O-NH1 2.77Å; E199-R314 IonicContact OE1-CZ 3.93Å; E199-R314 IonicContact OE1-NH2 3.25Å; E199-R314 PolarHBondContact OE1-NH2 2.75Å; E203-R314 IonicContact OE1-NH1 2.68Å; E203-R314 IonicContact OE1-NH2 2.87Å; E203-R314 IonicContact OE2-CZ 3.1Å; E203-R314 IonicContact OE2-NH1 3.98Å; E203-R314 PolarHBondContact OE2-NH1 3.27Å; E203-R314 IonicContact OE2-NH2 3.01Å; E203-R314 PolarHBondContact OE2-NH2 3.4Å; W274-R314 HydrophobicContact CD2-CG 4.21Å; W274-R314 HydrophobicContact CE3-CB 3.81Å; W274-R314 HydrophobicContact CE3-CG 3.78Å; W274-R314 HydrophobicContact CH2-CB 4.19Å; W274-R314 HydrophobicContact CH2-CG 4.46Å; W274-R314 VanDerWaalsContact CH2-O 3.31Å; W274-R314 WeakPolarHBondContact CH2-O 3.44Å; W274-R314 HydrophobicContact CZ3-CB 3.55Å; W274-R314 HydrophobicContact CZ3-CG 3.94Å; W274-R314 VanDerWaalsContact CZ3-O 3.28Å; W274-R314 WeakPolarHBondContact CZ3-O 3.03Å; W274-R314 PolarHBondContact O-NH1 2.93Å; C308-R314 HydrophobicContact CB-CB 3.94Å; R314-G316 PolarHBondContact O-N 3.4Å; R314-A317 PolarHBondContact O-N 3.02Å; R314-Y318 WeakPolarHBondContact O-CB 3.5Å; R314-Y318 PolarHBondContact O-N 3.01Å
315T98.2Very high97.2Very high0 Ų03.3 Ų3.30%02%0.019CC..Hα-helixtrans-59.5-46.5176.1-65.90000111.8A171 V306 H307 C308 G311 G313 Y318 I319A171-T315 HydrophobicContact CB-CG2 3.78Å; V306-T315 HydrophobicContact CB-CG2 4.1Å; V306-T315 HydrophobicContact CG1-CG2 3.86Å; H307-T315 WeakPolarHBondContact CA-OG1 3.25Å; C308-T315 PolarHBondContact N-OG1 2.99Å; C308-T315 PolarHBondContact SG-N 2.81Å; C308-T315 VanDerWaalsContact SG-N 3.36Å; C308-T315 PolarHBondContact SG-OG1 2.92Å; G311-T315 WeakPolarHBondContact O-CG2 3.33Å; G313-T315 PolarHBondContact O-N 3.44Å; T315-Y318 PolarHBondContact O-N 3.18Å; T315-I319 HydrophobicContact CG2-CD1 3.76Å; T315-I319 HydrophobicContact CG2-CG1 4.46Å; T315-I319 WeakPolarHBondContact O-CB 3.47Å; T315-I319 VanDerWaalsContact O-CG1 3.25Å; T315-I319 WeakPolarHBondContact O-CG1 3.4Å; T315-I319 PolarHBondContact O-N 2.99Å
316G98.3Very high96.9Very high0 Ų05 Ų50%03%0.028CC..Hα-helixtrans-67.4-40.117900000112.8C312 G313 R314 I319 L320 M351 I352C312-G316 WeakPolarHBondContact O-CA 3.39Å; C312-G316 PolarHBondContact O-N 2.78Å; G313-G316 PolarHBondContact O-N 3.41Å; G313-G316 VanDerWaalsContact O-N 3.09Å; R314-G316 PolarHBondContact O-N 3.4Å; G316-I319 PolarHBondContact O-N 3.27Å; G316-L320 VanDerWaalsContact O-CB 3.31Å; G316-L320 WeakPolarHBondContact O-CB 3.3Å; G316-L320 PolarHBondContact O-N 2.93Å; G316-M351 VanDerWaalsContact CA-CE 3.42Å; G316-I352 VanDerWaalsContact C-CG1 3.47Å
317A97.6Very high96.6Very high0 Ų07.4 Ų7.40%04%0.037CC..Hα-helixtrans-63.1-46176.700000111.4W274 G313 R314 L321 I352 Q357 V361W274-A317 HydrophobicContact CH2-CB 3.84Å; W274-A317 HydrophobicContact CZ2-CB 4.18Å; G313-A317 PolarHBondContact O-N 3.14Å; R314-A317 PolarHBondContact O-N 3.02Å; A317-L321 WeakPolarHBondContact O-CB 3.24Å; A317-L321 PolarHBondContact O-N 3.49Å; A317-I352 HydrophobicContact CB-CD1 4.41Å; A317-I352 HydrophobicContact CB-CG1 4.36Å; A317-Q357 HydrophobicContact CB-CB 4.34Å; A317-V361 HydrophobicContact CB-CG2 4.02Å; A317-V361 WeakPolarHBondContact O-CG2 3.06Å
318Y98.3Very high96.3Very high1 Ų17.4 Ų7.40%0.0044%0.037CC..Hα-helixtrans-61-47.6175.4176.9-90000112V196 L198 M286 F289 R290 V293 V306 R314 T315 L321 D322V196-Y318 HydrophobicContact CB-CE1 4.47Å; V196-Y318 HydrophobicContact CG1-CD1 4.28Å; V196-Y318 HydrophobicContact CG1-CE1 4.03Å; V196-Y318 HydrophobicContact CG1-CE2 4.26Å; V196-Y318 HydrophobicContact CG2-CE1 4.21Å; L198-Y318 HydrophobicContact CD1-CG 4.09Å; L198-Y318 HydrophobicContact CD2-CD2 4.23Å; L198-Y318 HydrophobicContact CD2-CG 4.4Å; M286-Y318 HydrophobicContact SD-CD2 3.69Å; M286-Y318 HydrophobicContact SD-CE2 4.1Å; F289-Y318 AromaticContact CD1-CE2 3.86Å; F289-Y318 HydrophobicContact CD1-CE2 3.86Å; F289-Y318 HydrophobicContact CE1-CD2 4.43Å; F289-Y318 AromaticContact CE1-CE2 3.78Å; F289-Y318 HydrophobicContact CE1-CE2 3.78Å; R290-Y318 HydrophobicContact CB-CE2 4.41Å; V293-Y318 WeakPolarHBondContact CG1-OH 3.26Å; V306-Y318 HydrophobicContact CG1-CD1 3.7Å; V306-Y318 HydrophobicContact CG1-CE1 4.34Å; V306-Y318 HydrophobicContact CG1-CG 4.4Å; V306-Y318 HydrophobicContact CG2-CD1 4.18Å; V306-Y318 HydrophobicContact CG2-CE1 4.15Å; R314-Y318 WeakPolarHBondContact O-CB 3.5Å; R314-Y318 PolarHBondContact O-N 3.01Å; T315-Y318 PolarHBondContact O-N 3.18Å; Y318-L321 PolarHBondContact O-N 3.21Å; Y318-D322 HydrophobicContact CE1-CB 4.45Å; Y318-D322 WeakPolarHBondContact O-CB 3.37Å; Y318-D322 PolarHBondContact O-N 2.7Å
319I98.7Very high95.9Very high0 Ų09.2 Ų9.20%05%0.048CC..Hα-helixtrans-66-42.3-177.9-71177.7000111.4L159 Y169 A171 V306 T315 G316 D322 L323 L344 M351L159-I319 HydrophobicContact CD1-CD1 3.66Å; L159-I319 HydrophobicContact CD1-CG2 4.27Å; Y169-I319 HydrophobicContact CD1-CG1 4.29Å; Y169-I319 HydrophobicContact CD2-CG2 3.75Å; Y169-I319 HydrophobicContact CE2-CG2 3.86Å; Y169-I319 HydrophobicContact CG-CD1 4.25Å; Y169-I319 HydrophobicContact CG-CG1 4.3Å; Y169-I319 HydrophobicContact CG-CG2 4.12Å; A171-I319 HydrophobicContact CB-CD1 4.02Å; V306-I319 HydrophobicContact CB-CD1 3.99Å; V306-I319 HydrophobicContact CB-CG1 4.15Å; V306-I319 HydrophobicContact CG1-CD1 4.37Å; V306-I319 HydrophobicContact CG1-CG1 4.17Å; V306-I319 HydrophobicContact CG2-CD1 4.12Å; V306-I319 HydrophobicContact CG2-CG1 3.99Å; T315-I319 HydrophobicContact CG2-CD1 3.76Å; T315-I319 HydrophobicContact CG2-CG1 4.46Å; T315-I319 WeakPolarHBondContact O-CB 3.47Å; T315-I319 VanDerWaalsContact O-CG1 3.25Å; T315-I319 WeakPolarHBondContact O-CG1 3.4Å; T315-I319 PolarHBondContact O-N 2.99Å; G316-I319 PolarHBondContact O-N 3.27Å; I319-D322 PolarHBondContact O-N 3.18Å; I319-L323 WeakPolarHBondContact O-CB 3.5Å; I319-L323 PolarHBondContact O-N 3.01Å; I319-L344 HydrophobicContact CG2-CD1 3.98Å; I319-L344 HydrophobicContact CG2-CD2 3.85Å; I319-M351 HydrophobicContact CB-CE 4.43Å; I319-M351 HydrophobicContact CD1-CE 4.12Å
320L98.5Very high95.6Very high0 Ų014.9 Ų14.90%07%0.069CC..Hα-helixtrans-63.3-46.7178-175.463.6000111G316 D322 L323 V324 I337 L341 L344 I352 V361G316-L320 VanDerWaalsContact O-CB 3.31Å; G316-L320 WeakPolarHBondContact O-CB 3.3Å; G316-L320 PolarHBondContact O-N 2.93Å; L320-D322 VanDerWaalsContact C-N 3.32Å; L320-D322 PolarHBondContact O-N 3.47Å; L320-L323 PolarHBondContact O-N 3.11Å; L320-V324 HydrophobicContact CD1-CG2 4.1Å; L320-V324 HydrophobicContact CG-CG2 4.41Å; L320-V324 WeakPolarHBondContact O-CB 3.17Å; L320-V324 VanDerWaalsContact O-CG2 3.29Å; L320-V324 WeakPolarHBondContact O-CG2 3.37Å; L320-V324 PolarHBondContact O-N 3.22Å; L320-I337 HydrophobicContact CD2-CG2 3.79Å; L320-I337 HydrophobicContact CG-CG2 4.34Å; L320-L341 HydrophobicContact CD1-CB 4.32Å; L320-L341 HydrophobicContact CD2-CB 3.96Å; L320-L341 HydrophobicContact CD2-CD1 4.24Å; L320-L341 HydrophobicContact CD2-CD2 4.36Å; L320-L341 HydrophobicContact CD2-CG 4.43Å; L320-L344 HydrophobicContact CB-CD1 3.84Å; L320-L344 HydrophobicContact CD1-CD1 3.95Å; L320-L344 HydrophobicContact CG-CD1 4.48Å; L320-I352 HydrophobicContact CB-CD1 4.05Å; L320-I352 HydrophobicContact CD2-CD1 3.45Å; L320-I352 VanDerWaalsContact CD2-CD1 3.45Å; L320-I352 HydrophobicContact CG-CD1 4.41Å; L320-V361 HydrophobicContact CB-CG1 4.28Å; L320-V361 HydrophobicContact CB-CG2 4.47Å; L320-V361 HydrophobicContact CD2-CB 4.38Å; L320-V361 HydrophobicContact CD2-CG1 3.91Å; L320-V361 HydrophobicContact CD2-CG2 4.41Å; L320-V361 HydrophobicContact CG-CG1 3.88Å
321L98Very high95.1Very high0 Ų016.6 Ų16.60%09%0.09CC..Hα-helixtrans-57-47.2174.9178.961.8000111M286 L287 A317 Y318 L325 F360 V361 T365M286-L321 HydrophobicContact CG-CD2 4.1Å; L287-L321 HydrophobicContact CD2-CD1 4.32Å; L287-L321 HydrophobicContact CD2-CD2 4.23Å; A317-L321 WeakPolarHBondContact O-CB 3.24Å; A317-L321 PolarHBondContact O-N 3.49Å; Y318-L321 PolarHBondContact O-N 3.21Å; L321-L325 HydrophobicContact CD1-CD1 3.6Å; L321-L325 HydrophobicContact CD1-CG 4.1Å; L321-L325 HydrophobicContact CG-CD1 4Å; L321-L325 WeakPolarHBondContact O-CB 3.43Å; L321-L325 WeakPolarHBondContact O-CG 3.42Å; L321-L325 PolarHBondContact O-N 2.89Å; L321-L325 VanDerWaalsContact O-N 3.07Å; L321-F360 HydrophobicContact CD2-CE1 4.24Å; L321-V361 HydrophobicContact CB-CG1 4.15Å; L321-V361 HydrophobicContact CB-CG2 4.42Å; L321-T365 WeakPolarHBondContact CD1-OG1 3.45Å
322D97.8Very high94.6Very high0 Ų018.9 Ų18.90%010%0.104CC..Hα-helixtrans-65.3-44.7-179.2-169.441.4000112.9Y169 R290 N294 Y318 I319 L320 N326Y169-D322 WeakPolarHBondContact CE1-OD2 3.44Å; Y169-D322 PolarHBondContact OH-OD2 3.34Å; R290-D322 HydrophobicContact CG-CB 4.47Å; R290-D322 IonicContact CZ-OD1 2.68Å; R290-D322 VanDerWaalsContact CZ-OD1 3.29Å; R290-D322 IonicContact NE-OD1 2.67Å; R290-D322 PolarHBondContact NE-OD1 3.17Å; R290-D322 PolarHBondContact NH2-O 2.85Å; R290-D322 IonicContact NH2-OD1 3.59Å; R290-D322 PolarHBondContact NH2-OD1 3.02Å; N294-D322 PolarHBondContact ND2-OD1 2.68Å; Y318-D322 HydrophobicContact CE1-CB 4.45Å; Y318-D322 WeakPolarHBondContact O-CB 3.37Å; Y318-D322 PolarHBondContact O-N 2.7Å; I319-D322 PolarHBondContact O-N 3.18Å; L320-D322 VanDerWaalsContact C-N 3.32Å; L320-D322 PolarHBondContact O-N 3.47Å; D322-N326 VanDerWaalsContact CG-ND2 3.33Å; D322-N326 WeakPolarHBondContact O-CB 3.35Å; D322-N326 PolarHBondContact O-N 2.66Å; D322-N326 PolarHBondContact O-ND2 2.87Å; D322-N326 PolarHBondContact OD1-ND2 3.46Å; D322-N326 VanDerWaalsContact OD1-ND2 3.11Å; D322-N326 PolarHBondContact OD2-ND2 3.24Å
323L96.6Very high93.8Very high1 Ų126.4 Ų26.41%0.00514%0.136CC..Hα-helixtrans-60.8-49178.5177148.8000111.3D161 Y169 I319 L320 N326 R327 L344D161-L323 HydrophobicContact CB-CD1 4.43Å; Y169-L323 HydrophobicContact CE2-CB 4.4Å; Y169-L323 HydrophobicContact CE2-CD1 4.42Å; Y169-L323 PolarHBondContact OH-N 3.05Å; I319-L323 WeakPolarHBondContact O-CB 3.5Å; I319-L323 PolarHBondContact O-N 3.01Å; L320-L323 PolarHBondContact O-N 3.11Å; L323-N326 PolarHBondContact O-N 3.21Å; L323-R327 VanDerWaalsContact CD2-CZ 3.47Å; L323-R327 WeakPolarHBondContact O-CG 3.34Å; L323-R327 PolarHBondContact O-N 2.92Å; L323-L344 HydrophobicContact CD1-CD2 4.13Å
324V96Very high93.2Very high0 Ų034 Ų340%017%0.172CC..Hα-helixtrans-63.4-51.1-179.4170.30000110.6L320 N326 R327 I328 I335 I337 T365L320-V324 HydrophobicContact CD1-CG2 4.1Å; L320-V324 HydrophobicContact CG-CG2 4.41Å; L320-V324 WeakPolarHBondContact O-CB 3.17Å; L320-V324 VanDerWaalsContact O-CG2 3.29Å; L320-V324 WeakPolarHBondContact O-CG2 3.37Å; L320-V324 PolarHBondContact O-N 3.22Å; V324-N326 VanDerWaalsContact C-N 3.29Å; V324-N326 PolarHBondContact O-N 3.34Å; V324-R327 WeakPolarHBondContact O-CA 3.34Å; V324-R327 WeakPolarHBondContact O-CB 3.45Å; V324-R327 PolarHBondContact O-N 3Å; V324-I328 HydrophobicContact CG1-CD1 4.34Å; V324-I328 WeakPolarHBondContact O-CG1 3.27Å; V324-I328 PolarHBondContact O-N 3.31Å; V324-I335 HydrophobicContact CG1-CD1 4.01Å; V324-I335 HydrophobicContact CG1-CG2 3.69Å; V324-I335 HydrophobicContact CG2-CG2 4.44Å; V324-I337 HydrophobicContact CG1-CD1 4.26Å; V324-I337 HydrophobicContact CG1-CG1 4.31Å; V324-I337 HydrophobicContact CG2-CG1 4.14Å; V324-T365 HydrophobicContact CG1-CG2 3.76Å
325L94.8Very high92.8Very high0 Ų034.2 Ų34.20%017%0.174CC..Hα-helixtrans-64.6-32.6-179.6-70.4176.9000113L287 L321 I328 T329 T365 E368L287-L325 HydrophobicContact CD2-CD1 3.66Å; L321-L325 HydrophobicContact CD1-CD1 3.6Å; L321-L325 HydrophobicContact CD1-CG 4.1Å; L321-L325 HydrophobicContact CG-CD1 4Å; L321-L325 WeakPolarHBondContact O-CB 3.43Å; L321-L325 WeakPolarHBondContact O-CG 3.42Å; L321-L325 PolarHBondContact O-N 2.89Å; L321-L325 VanDerWaalsContact O-N 3.07Å; L325-I328 HydrophobicContact CD2-CD1 4.05Å; L325-I328 PolarHBondContact O-N 3.27Å; L325-T329 WeakPolarHBondContact O-CB 3.4Å; L325-T329 PolarHBondContact O-N 2.97Å; L325-T329 PolarHBondContact O-OG1 2.9Å; L325-T365 HydrophobicContact CD2-CG2 3.93Å; L325-E368 HydrophobicContact CD1-CB 4.06Å; L325-E368 HydrophobicContact CD1-CG 3.92Å; L325-E368 HydrophobicContact CD2-CB 3.74Å; L325-E368 HydrophobicContact CD2-CG 3.78Å; L325-E368 HydrophobicContact CG-CG 4.47Å
326N92.5Very high92.5Very high35 Ų3538.2 Ų38.219%0.18720%0.195CC..Hα-helixtrans-67.6-37.3172.2-78.5-31.7000112R290 D322 L323 V324 K330R290-N326 VanDerWaalsContact NH2-CG 3.34Å; R290-N326 PolarHBondContact NH2-OD1 2.81Å; D322-N326 VanDerWaalsContact CG-ND2 3.33Å; D322-N326 WeakPolarHBondContact O-CB 3.35Å; D322-N326 PolarHBondContact O-N 2.66Å; D322-N326 PolarHBondContact O-ND2 2.87Å; D322-N326 PolarHBondContact OD1-ND2 3.46Å; D322-N326 VanDerWaalsContact OD1-ND2 3.11Å; D322-N326 PolarHBondContact OD2-ND2 3.24Å; L323-N326 PolarHBondContact O-N 3.21Å; V324-N326 VanDerWaalsContact C-N 3.29Å; V324-N326 PolarHBondContact O-N 3.34Å; N326-K330 WeakPolarHBondContact O-CB 3.2Å; N326-K330 WeakPolarHBondContact O-CD 3.36Å; N326-K330 VanDerWaalsContact O-CG 3.22Å; N326-K330 WeakPolarHBondContact O-CG 3.32Å; N326-K330 PolarHBondContact O-N 3.48Å; N326-K330 VanDerWaalsContact O-N 3.15Å
327R92.5Very high92.3Very high51 Ų5138.2 Ų38.219%0.19220%0.195CC..Hα-helixtrans-63.6-44.4172.9-73.4174.8176.8-179.3-2110.8D161 L323 V324 T329 K330 G331 V332 S340D161-R327 IonicContact OD1-CZ 2.97Å; D161-R327 IonicContact OD1-NE 3.6Å; D161-R327 PolarHBondContact OD1-NE 3.28Å; D161-R327 IonicContact OD1-NH2 3.51Å; D161-R327 PolarHBondContact OD1-NH2 2.82Å; L323-R327 VanDerWaalsContact CD2-CZ 3.47Å; L323-R327 WeakPolarHBondContact O-CG 3.34Å; L323-R327 PolarHBondContact O-N 2.92Å; V324-R327 WeakPolarHBondContact O-CA 3.34Å; V324-R327 WeakPolarHBondContact O-CB 3.45Å; V324-R327 PolarHBondContact O-N 3Å; R327-T329 PolarHBondContact O-N 3.29Å; R327-K330 PolarHBondContact O-N 2.89Å; R327-K330 VanDerWaalsContact O-N 3.14Å; R327-G331 PolarHBondContact O-N 3.36Å; R327-V332 VanDerWaalsContact C-CG2 3.49Å; R327-V332 HydrophobicContact CB-CG1 3.91Å; R327-V332 HydrophobicContact CB-CG2 3.93Å; R327-V332 WeakPolarHBondContact O-CG1 3.32Å; R327-V332 WeakPolarHBondContact O-CG2 3.39Å; R327-V332 PolarHBondContact O-N 2.89Å; R327-S340 PolarHBondContact NH1-OG 3.29Å
328I91.5Very high92.1Very high0 Ų039.1 Ų39.10%020%0.203CC..Hα-helixtrans-56.2-51.8175-63.5-178.9000111.3I79 I87 V324 L325 K330 G331 I335 T365 V369 M372I79-I328 HydrophobicContact CD1-CG2 3.67Å; I79-I328 HydrophobicContact CG1-CG2 4.4Å; I87-I328 HydrophobicContact CD1-CG1 4.42Å; I87-I328 HydrophobicContact CG2-CD1 4.28Å; V324-I328 HydrophobicContact CG1-CD1 4.34Å; V324-I328 WeakPolarHBondContact O-CG1 3.27Å; V324-I328 PolarHBondContact O-N 3.31Å; L325-I328 HydrophobicContact CD2-CD1 4.05Å; L325-I328 PolarHBondContact O-N 3.27Å; I328-K330 PolarHBondContact O-N 3.34Å; I328-K330 VanDerWaalsContact O-N 3.15Å; I328-G331 WeakPolarHBondContact O-CA 3.37Å; I328-G331 PolarHBondContact O-N 2.94Å; I328-I335 HydrophobicContact CD1-CD1 3.23Å; I328-I335 HydrophobicContact CG1-CD1 3.15Å; I328-I335 HydrophobicContact CG1-CG1 4.16Å; I328-T365 HydrophobicContact CD1-CG2 4Å; I328-V369 HydrophobicContact CD1-CG2 3.47Å; I328-V369 VanDerWaalsContact CD1-CG2 3.47Å; I328-M372 HydrophobicContact CG2-SD 4.24Å
329T88.4Confident91.9Very high40 Ų4041 Ų4125%0.24522%0.218CC..Hα-helixtrans-61.9-26.6-178.2-52.60000111.9P76 S78 L325 R327 G331P76-T329 HydrophobicContact CB-CG2 4.09Å; S78-T329 WeakPolarHBondContact OG-CA 3.3Å; S78-T329 PolarHBondContact OG-O 3.48Å; L325-T329 WeakPolarHBondContact O-CB 3.4Å; L325-T329 PolarHBondContact O-N 2.97Å; L325-T329 PolarHBondContact O-OG1 2.9Å; R327-T329 PolarHBondContact O-N 3.29Å; T329-G331 VanDerWaalsContact C-N 3.3Å
330K87.8Confident91.8Very high151 Ų15141.2 Ų41.266%0.65722%0.22SC*.THydrogen-bonded Turntrans-82.3-0.8174.2-70.4170.3-174.7173.40113.9N326 R327 I328N326-K330 WeakPolarHBondContact O-CB 3.2Å; N326-K330 WeakPolarHBondContact O-CD 3.36Å; N326-K330 VanDerWaalsContact O-CG 3.22Å; N326-K330 WeakPolarHBondContact O-CG 3.32Å; N326-K330 PolarHBondContact O-N 3.48Å; N326-K330 VanDerWaalsContact O-N 3.15Å; R327-K330 PolarHBondContact O-N 2.89Å; R327-K330 VanDerWaalsContact O-N 3.14Å; I328-K330 PolarHBondContact O-N 3.34Å; I328-K330 VanDerWaalsContact O-N 3.15Å
331G86.1Confident91.8Very high49 Ų4941.2 Ų41.251%0.50522%0.22SC..THydrogen-bonded Turntrans87.328.8174.100000115.1R327 I328 T329R327-G331 PolarHBondContact O-N 3.36Å; I328-G331 WeakPolarHBondContact O-CA 3.37Å; I328-G331 PolarHBondContact O-N 2.94Å; T329-G331 VanDerWaalsContact C-N 3.3Å
332V86.2Confident91.7Very high48 Ų4843.8 Ų43.829%0.29123%0.232SC..  trans-63139.8166.6-59.70000109.8R327 I335R327-V332 VanDerWaalsContact C-CG2 3.49Å; R327-V332 HydrophobicContact CB-CG1 3.91Å; R327-V332 HydrophobicContact CB-CG2 3.93Å; R327-V332 WeakPolarHBondContact O-CG1 3.32Å; R327-V332 WeakPolarHBondContact O-CG2 3.39Å; R327-V332 PolarHBondContact O-N 2.89Å; V332-I335 HydrophobicContact CG2-CG1 3.95Å
333K80.7Confident91.5Very high158 Ų15846.4 Ų46.469%0.68724%0.244SC*.SBendtrans-87.8-25-176.7-63.8-173.9177.7-174.90113.6
334E82.5Confident91.5Very high163 Ų16346.3 Ų46.376%0.76224%0.244SC*.  trans-138.5149.7-177.6-67.7178-177.300108.2
335I87.4Confident91.5Very high22 Ų2247 Ų4711%0.11325%0.246CC..  trans-133.9132.6179.4-55.3171.5000107.2I87 M91 V324 I328 V332 I337I87-I335 HydrophobicContact CD1-CD1 3.83Å; I87-I335 HydrophobicContact CD1-CG1 4.24Å; I87-I335 HydrophobicContact CG1-CD1 3.94Å; I87-I335 HydrophobicContact CG1-CG1 4.26Å; I87-I335 HydrophobicContact CG2-CD1 3.74Å; M91-I335 HydrophobicContact CE-CD1 4.31Å; M91-I335 HydrophobicContact CE-CG2 4.34Å; V324-I335 HydrophobicContact CG1-CD1 4.01Å; V324-I335 HydrophobicContact CG1-CG2 3.69Å; V324-I335 HydrophobicContact CG2-CG2 4.44Å; I328-I335 HydrophobicContact CD1-CD1 3.23Å; I328-I335 HydrophobicContact CG1-CD1 3.15Å; I328-I335 HydrophobicContact CG1-CG1 4.16Å; V332-I335 HydrophobicContact CG2-CG1 3.95Å; I335-I337 HydrophobicContact CG2-CG1 3.81Å
336D91.7Very high91.5Very high83 Ų8349.3 Ų49.344%0.44426%0.259SS..  trans-116.9105.9165.5-172-26.3000107.8A338 A339 S340D336-A338 VanDerWaalsContact C-N 3.34Å; D336-A338 WeakPolarHBondContact OD1-CB 3.2Å; D336-A338 PolarHBondContact OD1-N 3.37Å; D336-A339 HydrophobicContact CB-CB 3.89Å; D336-A339 VanDerWaalsContact CG-CB 3.49Å; D336-A339 PolarHBondContact OD1-N 2.83Å; D336-S340 VanDerWaalsContact O-CB 3.31Å; D336-S340 WeakPolarHBondContact O-CB 3.41Å; D336-S340 PolarHBondContact O-N 2.97Å; D336-S340 PolarHBondContact O-OG 3.25Å
337I94.3Very high91.6Very high0 Ų048.7 Ų48.70%025%0.254CS..Hα-helixtrans-71.7-33.7-179.3-65.5-165.6000110.5M91 L320 V324 I335 S340 L341 Y358 V361 L362 T365M91-I337 HydrophobicContact CE-CD1 3.43Å; M91-I337 VanDerWaalsContact CE-CD1 3.43Å; M91-I337 HydrophobicContact CE-CG1 3.88Å; M91-I337 HydrophobicContact SD-CD1 3.56Å; M91-I337 VanDerWaalsContact SD-CD1 3.56Å; M91-I337 HydrophobicContact SD-CG1 4.4Å; L320-I337 HydrophobicContact CD2-CG2 3.79Å; L320-I337 HydrophobicContact CG-CG2 4.34Å; V324-I337 HydrophobicContact CG1-CD1 4.26Å; V324-I337 HydrophobicContact CG1-CG1 4.31Å; V324-I337 HydrophobicContact CG2-CG1 4.14Å; I335-I337 HydrophobicContact CG2-CG1 3.81Å; I337-S340 PolarHBondContact O-N 3.27Å; I337-L341 WeakPolarHBondContact O-CB 3.32Å; I337-L341 PolarHBondContact O-N 2.93Å; I337-Y358 HydrophobicContact CG2-CE2 3.8Å; I337-V361 HydrophobicContact CG2-CG1 4.5Å; I337-L362 HydrophobicContact CB-CD2 4.43Å; I337-L362 HydrophobicContact CD1-CD2 3.86Å; I337-L362 HydrophobicContact CD1-CG 4.35Å; I337-T365 HydrophobicContact CD1-CG2 4.4Å
338A94.3Very high91.7Very high20 Ų2046.2 Ų46.217%0.16525%0.245CC..Hα-helixtrans-64.5-52.1177.600000110.5I108 D336 S340 L341 E342I108-A338 HydrophobicContact CD1-CB 3.66Å; I108-A338 HydrophobicContact CG1-CB 4.2Å; D336-A338 VanDerWaalsContact C-N 3.34Å; D336-A338 WeakPolarHBondContact OD1-CB 3.2Å; D336-A338 PolarHBondContact OD1-N 3.37Å; A338-S340 PolarHBondContact O-N 3.16Å; A338-L341 WeakPolarHBondContact O-CA 3.16Å; A338-L341 WeakPolarHBondContact O-CB 3.49Å; A338-L341 PolarHBondContact O-N 3.22Å; A338-E342 WeakPolarHBondContact O-CG 3.02Å; A338-E342 PolarHBondContact O-N 2.98Å
339A94.6Very high91.8Very high40 Ų4047 Ų4733%0.33125%0.25SC..Hα-helixtrans-62.3-33.7176.100000112.2D336 L341 E342 H343D336-A339 HydrophobicContact CB-CB 3.89Å; D336-A339 VanDerWaalsContact CG-CB 3.49Å; D336-A339 PolarHBondContact OD1-N 2.83Å; A339-L341 VanDerWaalsContact C-N 3.31Å; A339-L341 PolarHBondContact O-N 2.81Å; A339-E342 PolarHBondContact O-N 2.88Å; A339-H343 WeakPolarHBondContact O-CB 3.47Å; A339-H343 PolarHBondContact O-N 2.88Å
340S96.1Very high92.1Very high4 Ų449.2 Ų49.23%0.02826%0.26CS..Hα-helixtrans-66.2-34.3174.1-60.90000112.3R327 D336 I337 A338 L344R327-S340 PolarHBondContact NH1-OG 3.29Å; D336-S340 VanDerWaalsContact O-CB 3.31Å; D336-S340 WeakPolarHBondContact O-CB 3.41Å; D336-S340 PolarHBondContact O-N 2.97Å; D336-S340 PolarHBondContact O-OG 3.25Å; I337-S340 PolarHBondContact O-N 3.27Å; A338-S340 PolarHBondContact O-N 3.16Å; S340-L344 WeakPolarHBondContact O-CG 3.38Å; S340-L344 PolarHBondContact O-N 3.33Å
341L97.2Very high92.5Very high0 Ų042 Ų420%023%0.229CC..Hα-helixtrans-74.5-41.1175.2-179.252000112.1W105 I108 L320 I337 A338 A339 H343 L344 R345 M351 I352 Y358W105-L341 HydrophobicContact CZ3-CD2 4.44Å; I108-L341 HydrophobicContact CD1-CD2 4.36Å; I108-L341 HydrophobicContact CG2-CD2 3.55Å; I108-L341 HydrophobicContact CG2-CG 3.92Å; L320-L341 HydrophobicContact CD1-CB 4.32Å; L320-L341 HydrophobicContact CD2-CB 3.96Å; L320-L341 HydrophobicContact CD2-CD1 4.24Å; L320-L341 HydrophobicContact CD2-CD2 4.36Å; L320-L341 HydrophobicContact CD2-CG 4.43Å; I337-L341 WeakPolarHBondContact O-CB 3.32Å; I337-L341 PolarHBondContact O-N 2.93Å; A338-L341 WeakPolarHBondContact O-CA 3.16Å; A338-L341 WeakPolarHBondContact O-CB 3.49Å; A338-L341 PolarHBondContact O-N 3.22Å; A339-L341 VanDerWaalsContact C-N 3.31Å; A339-L341 PolarHBondContact O-N 2.81Å; L341-H343 VanDerWaalsContact C-N 3.29Å; L341-H343 PolarHBondContact O-N 3.38Å; L341-L344 WeakPolarHBondContact O-CB 3.49Å; L341-L344 PolarHBondContact O-N 3.29Å; L341-L344 VanDerWaalsContact O-N 3.08Å; L341-R345 HydrophobicContact CD1-CG 4.4Å; L341-R345 WeakPolarHBondContact O-CG 3.43Å; L341-R345 PolarHBondContact O-N 3.39Å; L341-M351 HydrophobicContact CD1-CB 4.24Å; L341-M351 WeakPolarHBondContact CD1-O 3.47Å; L341-I352 HydrophobicContact CD1-CB 4.06Å; L341-I352 HydrophobicContact CD1-CD1 3.85Å; L341-I352 HydrophobicContact CD1-CG1 3.88Å; L341-I352 HydrophobicContact CD2-CB 4.21Å; L341-I352 HydrophobicContact CD2-CD1 4.08Å; L341-Y358 HydrophobicContact CD2-CD2 3.61Å; L341-Y358 HydrophobicContact CD2-CE2 3.81Å
342E95.7Very high93Very high54 Ų5439.7 Ų39.725%0.25221%0.205SC..Hα-helixtrans-55.5-46.9171.4-69.5177173.500110.6Y111 A338 A339 L344 R345 D346Y111-E342 HydrophobicContact CD1-CB 4.44Å; Y111-E342 HydrophobicContact CD1-CG 4.27Å; Y111-E342 HydrophobicContact CD2-CB 4.41Å; Y111-E342 HydrophobicContact CD2-CG 3.78Å; Y111-E342 HydrophobicContact CE1-CB 4.18Å; Y111-E342 HydrophobicContact CE1-CG 4.44Å; Y111-E342 HydrophobicContact CE2-CB 4.14Å; Y111-E342 HydrophobicContact CE2-CG 3.96Å; Y111-E342 HydrophobicContact CG-CG 3.95Å; A338-E342 WeakPolarHBondContact O-CG 3.02Å; A338-E342 PolarHBondContact O-N 2.98Å; A339-E342 PolarHBondContact O-N 2.88Å; E342-L344 VanDerWaalsContact C-N 3.27Å; E342-L344 PolarHBondContact O-N 2.85Å; E342-R345 CarbonylContact O-C 3.56Å; E342-R345 WeakPolarHBondContact O-CA 3.35Å; E342-R345 WeakPolarHBondContact O-CB 3.44Å; E342-R345 PolarHBondContact O-N 2.69Å; E342-D346 PolarHBondContact O-N 3.28Å
343H94.9Very high93.4Very high55 Ų5541.9 Ų41.926%0.25521%0.211SC..Hα-helixtrans-58.3-33.9174.517574.2000113.8Y160 A339 L341 Q347Y160-H343 PolarHBondContact O-NE2 2.97Å; A339-H343 WeakPolarHBondContact O-CB 3.47Å; A339-H343 PolarHBondContact O-N 2.88Å; L341-H343 VanDerWaalsContact C-N 3.29Å; L341-H343 PolarHBondContact O-N 3.38Å; H343-Q347 PolarHBondContact CD2-NE2 2.99Å; H343-Q347 PolarHBondContact CE1-NE2 3.2Å; H343-Q347 PolarHBondContact NE2-NE2 3.47Å; H343-Q347 WeakPolarHBondContact O-CG 3.48Å; H343-Q347 PolarHBondContact O-NE2 3.01Å
344L96.7Very high94.1Very high0 Ų036.6 Ų36.60%019%0.192CC..Hα-helixtrans-72.6-39.7171.8-68.5179.2000111.4L159 I319 L320 L323 S340 L341 E342 D346 Q347 R348 M351L159-L344 HydrophobicContact CD1-CD2 4.35Å; I319-L344 HydrophobicContact CG2-CD1 3.98Å; I319-L344 HydrophobicContact CG2-CD2 3.85Å; L320-L344 HydrophobicContact CB-CD1 3.84Å; L320-L344 HydrophobicContact CD1-CD1 3.95Å; L320-L344 HydrophobicContact CG-CD1 4.48Å; L323-L344 HydrophobicContact CD1-CD2 4.13Å; S340-L344 WeakPolarHBondContact O-CG 3.38Å; S340-L344 PolarHBondContact O-N 3.33Å; L341-L344 WeakPolarHBondContact O-CB 3.49Å; L341-L344 PolarHBondContact O-N 3.29Å; L341-L344 VanDerWaalsContact O-N 3.08Å; E342-L344 VanDerWaalsContact C-N 3.27Å; E342-L344 PolarHBondContact O-N 2.85Å; L344-D346 VanDerWaalsContact C-N 3.28Å; L344-D346 PolarHBondContact O-N 3.45Å; L344-Q347 PolarHBondContact O-N 3.19Å; L344-R348 PolarHBondContact O-N 2.9Å; L344-M351 HydrophobicContact CB-CB 4.14Å; L344-M351 HydrophobicContact CB-CE 4.46Å; L344-M351 HydrophobicContact CB-CG 4.22Å; L344-M351 HydrophobicContact CD1-CE 4.37Å
345R95.5Very high94.7Very high14 Ų1430.3 Ų30.35%0.05316%0.163CC..Hα-helixtrans-67.4-25.8178-74.2-177.1169.6-150.3-1.7113.1I108 Y111 Y139 L341 E342 Q347 R348 M351 I352I108-R345 PolarHBondContact O-NH1 3.02Å; Y111-R345 HydrophobicContact CD1-CB 4.22Å; Y111-R345 HydrophobicContact CE1-CB 4.42Å; Y139-R345 VanDerWaalsContact CE2-O 3.3Å; Y139-R345 WeakPolarHBondContact CE2-O 3.42Å; Y139-R345 PolarHBondContact OH-O 3.01Å; L341-R345 HydrophobicContact CD1-CG 4.4Å; L341-R345 WeakPolarHBondContact O-CG 3.43Å; L341-R345 PolarHBondContact O-N 3.39Å; E342-R345 CarbonylContact O-C 3.56Å; E342-R345 WeakPolarHBondContact O-CA 3.35Å; E342-R345 WeakPolarHBondContact O-CB 3.44Å; E342-R345 PolarHBondContact O-N 2.69Å; R345-Q347 PolarHBondContact O-N 2.95Å; R345-R348 WeakPolarHBondContact CA-O 3.19Å; R345-M351 HydrophobicContact CG-CB 4.05Å; R345-M351 PolarHBondContact NE-O 2.88Å; R345-M351 PolarHBondContact NH2-O 2.96Å; R345-I352 PolarHBondContact NH2-O 3.33Å
346D94Very high95Very high49 Ų4934.2 Ų34.226%0.26218%0.181SC..THydrogen-bonded Turntrans-66-23.9169.3-74.3-34.4000113.3Y111 S113 S116 E342 L344Y111-D346 PolarHBondContact OH-OD1 3.45Å; Y111-D346 PolarHBondContact OH-OD2 3.15Å; S113-D346 WeakPolarHBondContact CB-OD1 3.13Å; S113-D346 PolarHBondContact OG-OD1 3.23Å; S116-D346 PolarHBondContact OG-O 3.06Å; E342-D346 PolarHBondContact O-N 3.28Å; L344-D346 VanDerWaalsContact C-N 3.28Å; L344-D346 PolarHBondContact O-N 3.45Å
347Q94.9Very high95.2Very high21 Ų2130.6 Ų30.610%0.09816%0.161CC..THydrogen-bonded Turntrans-107.6-24.7-174.1-62.1178.380.800112.4S142 L159 Y160 H343 L344 R345S142-Q347 WeakPolarHBondContact CB-O 3.38Å; S142-Q347 PolarHBondContact OG-O 2.99Å; L159-Q347 HydrophobicContact CD2-CB 3.51Å; Y160-Q347 PolarHBondContact O-NE2 3.26Å; Y160-Q347 VanDerWaalsContact O-NE2 3.08Å; H343-Q347 PolarHBondContact CD2-NE2 2.99Å; H343-Q347 PolarHBondContact CE1-NE2 3.2Å; H343-Q347 PolarHBondContact NE2-NE2 3.47Å; H343-Q347 WeakPolarHBondContact O-CG 3.48Å; H343-Q347 PolarHBondContact O-NE2 3.01Å; L344-Q347 PolarHBondContact O-N 3.19Å; R345-Q347 PolarHBondContact O-N 2.95Å
348R95.5Very high95.3Very high0 Ų030.6 Ų30.60%016%0.161CC..SBendtrans-148.7131.6170.6-177.5171.6177.675.55.4109.5N155 S157 L159 D310 G311 C312 L344 R345 M351N155-R348 PolarHBondContact OD1-NH1 2.94Å; N155-R348 PolarHBondContact OD1-NH2 3.02Å; S157-R348 PolarHBondContact OG-NH1 3Å; L159-R348 HydrophobicContact CD2-CB 4.01Å; D310-R348 PolarHBondContact O-NH2 3.47Å; G311-R348 PolarHBondContact O-NE 3.11Å; C312-R348 PolarHBondContact SG-NE 2.97Å; L344-R348 PolarHBondContact O-N 2.9Å; R345-R348 WeakPolarHBondContact CA-O 3.19Å; R348-M351 HydrophobicContact CB-CG 3.98Å; R348-M351 HydrophobicContact CB-SD 4.11Å; R348-M351 HydrophobicContact CG-CG 4.41Å; R348-M351 HydrophobicContact CG-SD 4.14Å; R348-M351 VanDerWaalsContact O-CG 3.23Å; R348-M351 WeakPolarHBondContact O-CG 3.38Å
349P93.2Very high95.3Very high15 Ų1531 Ų3110%0.09716%0.16CC..THydrogen-bonded Turntrans-62.2152.9-179.4-7.614.1000112.5P136 I137 Y139 C312 M351P136-P349 HydrophobicContact CB-CB 3.91Å; P136-P349 HydrophobicContact CB-CG 4.05Å; P136-P349 HydrophobicContact CG-CB 4.41Å; P136-P349 WeakPolarHBondContact CG-O 3.27Å; I137-P349 WeakPolarHBondContact O-CG 3.35Å; Y139-P349 HydrophobicContact CD1-CG 4.04Å; Y139-P349 HydrophobicContact CD2-CG 4.41Å; Y139-P349 HydrophobicContact CE1-CB 4.3Å; Y139-P349 HydrophobicContact CE1-CG 3.54Å; Y139-P349 HydrophobicContact CE2-CG 3.93Å; Y139-P349 HydrophobicContact CG-CG 4.45Å; Y139-P349 VanDerWaalsContact CZ-CG 3.47Å; C312-P349 PolarHBondContact SG-O 3.25Å; P349-M351 PolarHBondContact O-N 3.1Å; P349-M351 VanDerWaalsContact O-N 3.13Å
350N94Very high95.3Very high88 Ų8829 Ų2947%0.47114%0.144SC..THydrogen-bonded Turntrans59.222.3169.1-54.1-8.6000115.1P136 C312 I352P136-N350 HydrophobicContact CG-CB 4.36Å; C312-N350 WeakPolarHBondContact CB-O 3.35Å; N350-I352 PolarHBondContact O-N 3.29Å
351M97.3Very high95.3Very high0 Ų028.9 Ų28.90%014%0.143CC..SBendtrans-56.5124.2171.7-68.7-66.3-79.200108.9L159 C312 G316 I319 L341 L344 R345 R348 P349L159-M351 HydrophobicContact CD1-CE 3.84Å; C312-M351 HydrophobicContact CB-SD 4.42Å; G316-M351 VanDerWaalsContact CA-CE 3.42Å; I319-M351 HydrophobicContact CB-CE 4.43Å; I319-M351 HydrophobicContact CD1-CE 4.12Å; L341-M351 HydrophobicContact CD1-CB 4.24Å; L341-M351 WeakPolarHBondContact CD1-O 3.47Å; L344-M351 HydrophobicContact CB-CB 4.14Å; L344-M351 HydrophobicContact CB-CE 4.46Å; L344-M351 HydrophobicContact CB-CG 4.22Å; L344-M351 HydrophobicContact CD1-CE 4.37Å; R345-M351 HydrophobicContact CG-CB 4.05Å; R345-M351 PolarHBondContact NE-O 2.88Å; R345-M351 PolarHBondContact NH2-O 2.96Å; R348-M351 HydrophobicContact CB-CG 3.98Å; R348-M351 HydrophobicContact CB-SD 4.11Å; R348-M351 HydrophobicContact CG-CG 4.41Å; R348-M351 HydrophobicContact CG-SD 4.14Å; R348-M351 VanDerWaalsContact O-CG 3.23Å; R348-M351 WeakPolarHBondContact O-CG 3.38Å; P349-M351 PolarHBondContact O-N 3.1Å; P349-M351 VanDerWaalsContact O-N 3.13Å
352I96.9Very high95.2Very high0 Ų028.9 Ų28.90%014%0.143CC..SBendtrans59.5123.7-166.1-56.4-173.6000111.9W105 C312 G316 A317 L320 L341 R345 N350 Q357 V361W105-I352 HydrophobicContact CH2-CG2 3.95Å; W105-I352 HydrophobicContact CZ3-CB 4.49Å; W105-I352 HydrophobicContact CZ3-CG2 3.73Å; C312-I352 PolarHBondContact O-N 2.88Å; G316-I352 VanDerWaalsContact C-CG1 3.47Å; A317-I352 HydrophobicContact CB-CD1 4.41Å; A317-I352 HydrophobicContact CB-CG1 4.36Å; L320-I352 HydrophobicContact CB-CD1 4.05Å; L320-I352 HydrophobicContact CD2-CD1 3.45Å; L320-I352 VanDerWaalsContact CD2-CD1 3.45Å; L320-I352 HydrophobicContact CG-CD1 4.41Å; L341-I352 HydrophobicContact CD1-CB 4.06Å; L341-I352 HydrophobicContact CD1-CD1 3.85Å; L341-I352 HydrophobicContact CD1-CG1 3.88Å; L341-I352 HydrophobicContact CD2-CB 4.21Å; L341-I352 HydrophobicContact CD2-CD1 4.08Å; R345-I352 PolarHBondContact NH2-O 3.33Å; N350-I352 PolarHBondContact O-N 3.29Å; I352-Q357 HydrophobicContact CG2-CB 3.68Å; I352-V361 HydrophobicContact CD1-CG2 4.14Å
353K94.1Very high95.1Very high93 Ų9327.7 Ų27.740%0.40414%0.14SC..  trans-109.8-16.9-170-69.6178.169.6-177.70114.6D310D310-K353 WeakPolarHBondContact OD2-CD 3.43Å; D310-K353 WeakPolarHBondContact OD2-CE 3.31Å; D310-K353 IonicContact OD2-NZ 3.35Å; D310-K353 PolarHBondContact OD2-NZ 3.2Å
354T94.6Very high95.1Very high48 Ų4825 Ų2529%0.29413%0.128SC..SBendtrans-137.6156.1-17684.80000111.5W105 E356 Q357 Y358W105-T354 VanDerWaalsContact CZ2-C 3.41Å; T354-E356 WeakPolarHBondContact CB-OE2 3.39Å; T354-E356 PolarHBondContact O-N 3.45Å; T354-E356 PolarHBondContact OG1-N 2.77Å; T354-E356 PolarHBondContact OG1-OE2 3.11Å; T354-Q357 PolarHBondContact O-N 2.8Å; T354-Q357 PolarHBondContact OG1-N 3.46Å; T354-Y358 PolarHBondContact O-N 2.89Å; T354-Y358 VanDerWaalsContact O-N 3.16Å
355L94.8Very high95Very high31 Ų3125 Ų2516%0.16213%0.128CC..Hα-helixtrans-56.8-39.2174.6172.259.8000111.3L101 W105 Q357 Y358 E359L101-L355 HydrophobicContact CD2-CD1 4.35Å; L101-L355 HydrophobicContact CG-CD1 3.98Å; W105-L355 HydrophobicContact CB-CD1 3.57Å; W105-L355 HydrophobicContact CD2-CB 4.24Å; W105-L355 HydrophobicContact CG-CB 3.96Å; W105-L355 HydrophobicContact CG-CD1 3.8Å; W105-L355 HydrophobicContact CG-CG 4.45Å; L355-Q357 VanDerWaalsContact C-N 3.34Å; L355-Q357 PolarHBondContact O-N 3.46Å; L355-Y358 WeakPolarHBondContact O-CB 3.34Å; L355-Y358 PolarHBondContact O-N 3.36Å; L355-Y358 VanDerWaalsContact O-N 3.17Å; L355-E359 WeakPolarHBondContact O-CB 3.48Å; L355-E359 PolarHBondContact O-N 3.23Å
356E94.7Very high94.9Very high103 Ų10325 Ų2548%0.48113%0.13SC..Hα-helixtrans-66.4-36.6-178.9-57.473.6-159.900111.6L279 T354 F360L279-E356 HydrophobicContact CD1-CB 3.91Å; T354-E356 WeakPolarHBondContact CB-OE2 3.39Å; T354-E356 PolarHBondContact O-N 3.45Å; T354-E356 PolarHBondContact OG1-N 2.77Å; T354-E356 PolarHBondContact OG1-OE2 3.11Å; E356-F360 VanDerWaalsContact O-CB 3.25Å; E356-F360 WeakPolarHBondContact O-CB 3.48Å; E356-F360 PolarHBondContact O-N 3.38Å
357Q95.7Very high94.9Very high7 Ų725.7 Ų25.73%0.03313%0.132CC..Hα-helixtrans-68.2-36.8173.6-70.8175-10.700111.5D276 L279 A317 I352 T354 L355 V361D276-Q357 PolarHBondContact OD1-NE2 3.45Å; L279-Q357 HydrophobicContact CD1-CG 3.77Å; A317-Q357 HydrophobicContact CB-CB 4.34Å; I352-Q357 HydrophobicContact CG2-CB 3.68Å; T354-Q357 PolarHBondContact O-N 2.8Å; T354-Q357 PolarHBondContact OG1-N 3.46Å; L355-Q357 VanDerWaalsContact C-N 3.34Å; L355-Q357 PolarHBondContact O-N 3.46Å; Q357-V361 WeakPolarHBondContact O-CG2 3.43Å; Q357-V361 PolarHBondContact O-N 2.8Å
358Y95.7Very high94.8Very high1 Ų124.9 Ų24.90%0.00413%0.128CC..Hα-helixtrans-68.2-47175.4-176-116.3000111.9L101 W105 I108 I337 L341 T354 L355 F360 V361 L362L101-Y358 HydrophobicContact CD1-CD1 4.05Å; L101-Y358 HydrophobicContact CD1-CE1 4.01Å; W105-Y358 HydrophobicContact CE3-CD1 4.16Å; W105-Y358 AromaticContact CE3-CG 3.86Å; W105-Y358 HydrophobicContact CE3-CG 3.86Å; W105-Y358 HydrophobicContact CZ3-CG 4.3Å; I108-Y358 HydrophobicContact CD1-CE1 4.1Å; I108-Y358 HydrophobicContact CD1-CE2 3.81Å; I337-Y358 HydrophobicContact CG2-CE2 3.8Å; L341-Y358 HydrophobicContact CD2-CD2 3.61Å; L341-Y358 HydrophobicContact CD2-CE2 3.81Å; T354-Y358 PolarHBondContact O-N 2.89Å; T354-Y358 VanDerWaalsContact O-N 3.16Å; L355-Y358 WeakPolarHBondContact O-CB 3.34Å; L355-Y358 PolarHBondContact O-N 3.36Å; L355-Y358 VanDerWaalsContact O-N 3.17Å; Y358-F360 VanDerWaalsContact C-N 3.3Å; Y358-F360 PolarHBondContact O-N 2.98Å; Y358-V361 PolarHBondContact O-N 3.43Å; Y358-V361 VanDerWaalsContact O-N 3.11Å; Y358-L362 HydrophobicContact CD1-CD1 3.87Å; Y358-L362 HydrophobicContact CE1-CD1 3.6Å; Y358-L362 PolarHBondContact O-N 2.67Å; Y358-L362 VanDerWaalsContact O-N 3.17Å
359E94.3Very high94.6Very high27 Ų2724.9 Ų24.913%0.12613%0.128CC..Hα-helixtrans-58-42.1173.9-178176.4-160.800111.8L95 R98 L101 M280 L355 V361 L362 S363L95-E359 HydrophobicContact CD2-CG 4.08Å; R98-E359 IonicContact CZ-OE1 2.76Å; R98-E359 IonicContact CZ-OE2 2.75Å; R98-E359 IonicContact NH1-OE1 2.81Å; R98-E359 PolarHBondContact NH1-OE1 2.91Å; R98-E359 IonicContact NH1-OE2 2.74Å; R98-E359 PolarHBondContact NH1-OE2 2.69Å; R98-E359 IonicContact NH2-OE2 3.68Å; L101-E359 HydrophobicContact CD2-CB 4.14Å; L101-E359 HydrophobicContact CD2-CG 4.01Å; M280-E359 HydrophobicContact CE-CG 3.97Å; M280-E359 HydrophobicContact SD-CG 4.38Å; L355-E359 WeakPolarHBondContact O-CB 3.48Å; L355-E359 PolarHBondContact O-N 3.23Å; E359-V361 VanDerWaalsContact C-N 3.26Å; E359-V361 PolarHBondContact O-N 2.92Å; E359-L362 PolarHBondContact O-N 2.94Å; E359-S363 WeakPolarHBondContact O-CB 3.23Å; E359-S363 PolarHBondContact O-N 3.03Å
360F95.6Very high94.5Very high0 Ų027.7 Ų27.70%014%0.142CC..Hα-helixtrans-55.3-42.2175.1167.7-95.7000112.1W274 L279 M280 M286 L321 E356 Y358 S364W274-F360 HydrophobicContact CH2-CE1 4.29Å; W274-F360 AromaticContact CZ2-CD1 3.9Å; W274-F360 HydrophobicContact CZ2-CD1 3.9Å; W274-F360 AromaticContact CZ2-CE1 3.47Å; W274-F360 HydrophobicContact CZ2-CE1 3.47Å; W274-F360 VanDerWaalsContact CZ2-CE1 3.47Å; W274-F360 AromaticContact CZ2-CZ 3.93Å; W274-F360 HydrophobicContact CZ2-CZ 3.93Å; L279-F360 HydrophobicContact CB-CB 4.28Å; L279-F360 HydrophobicContact CB-CD2 4.17Å; L279-F360 HydrophobicContact CB-CG 4.39Å; L279-F360 WeakPolarHBondContact O-CD2 3.46Å; L279-F360 WeakPolarHBondContact O-CE2 3.42Å; M280-F360 HydrophobicContact SD-CB 4.24Å; M286-F360 HydrophobicContact CB-CZ 4Å; M286-F360 HydrophobicContact CG-CE1 4.42Å; M286-F360 HydrophobicContact CG-CZ 3.92Å; L321-F360 HydrophobicContact CD2-CE1 4.24Å; E356-F360 VanDerWaalsContact O-CB 3.25Å; E356-F360 WeakPolarHBondContact O-CB 3.48Å; E356-F360 PolarHBondContact O-N 3.38Å; Y358-F360 VanDerWaalsContact C-N 3.3Å; Y358-F360 PolarHBondContact O-N 2.98Å; F360-S364 WeakPolarHBondContact CE2-OG 3.39Å; F360-S364 WeakPolarHBondContact CZ-OG 3.38Å; F360-S364 WeakPolarHBondContact O-CB 3.49Å; F360-S364 PolarHBondContact O-N 3.46Å; F360-S364 PolarHBondContact O-OG 3.32Å
361V96.4Very high94.3Very high0 Ų024.8 Ų24.80%013%0.131CC..Hα-helixtrans-67.3-44.7178.7177.10000111.1A317 L320 L321 I337 I352 Q357 Y358 E359 T365A317-V361 HydrophobicContact CB-CG2 4.02Å; A317-V361 WeakPolarHBondContact O-CG2 3.06Å; L320-V361 HydrophobicContact CB-CG1 4.28Å; L320-V361 HydrophobicContact CB-CG2 4.47Å; L320-V361 HydrophobicContact CD2-CB 4.38Å; L320-V361 HydrophobicContact CD2-CG1 3.91Å; L320-V361 HydrophobicContact CD2-CG2 4.41Å; L320-V361 HydrophobicContact CG-CG1 3.88Å; L321-V361 HydrophobicContact CB-CG1 4.15Å; L321-V361 HydrophobicContact CB-CG2 4.42Å; I337-V361 HydrophobicContact CG2-CG1 4.5Å; I352-V361 HydrophobicContact CD1-CG2 4.14Å; Q357-V361 WeakPolarHBondContact O-CG2 3.43Å; Q357-V361 PolarHBondContact O-N 2.8Å; Y358-V361 PolarHBondContact O-N 3.43Å; Y358-V361 VanDerWaalsContact O-N 3.11Å; E359-V361 VanDerWaalsContact C-N 3.26Å; E359-V361 PolarHBondContact O-N 2.92Å; V361-T365 VanDerWaalsContact O-CB 3.28Å; V361-T365 WeakPolarHBondContact O-CB 3.42Å; V361-T365 PolarHBondContact O-N 3.45Å; V361-T365 PolarHBondContact O-OG1 2.9Å
362L94.2Very high93.8Very high0 Ų025 Ų250%013%0.132CC..Hα-helixtrans-58.6-52.2176.1-77.1154.3000111.3M91 H94 L95 L101 I337 Y358 E359 S364 T365 A366M91-L362 HydrophobicContact SD-CD2 3.72Å; H94-L362 HydrophobicContact CB-CD2 4.36Å; L95-L362 HydrophobicContact CD2-CB 3.95Å; L95-L362 HydrophobicContact CG-CB 4.41Å; L101-L362 HydrophobicContact CD1-CD1 3.35Å; I337-L362 HydrophobicContact CB-CD2 4.43Å; I337-L362 HydrophobicContact CD1-CD2 3.86Å; I337-L362 HydrophobicContact CD1-CG 4.35Å; Y358-L362 HydrophobicContact CD1-CD1 3.87Å; Y358-L362 HydrophobicContact CE1-CD1 3.6Å; Y358-L362 PolarHBondContact O-N 2.67Å; Y358-L362 VanDerWaalsContact O-N 3.17Å; E359-L362 PolarHBondContact O-N 2.94Å; L362-S364 PolarHBondContact O-N 2.59Å; L362-T365 PolarHBondContact O-N 3.03Å; L362-A366 PolarHBondContact O-N 2.94Å
363S94.1Very high93.3Very high29 Ų2926.7 Ų26.720%0.20314%0.141CC..Hα-helixtrans-60.6-46.8179.8-179.20000112.1E359 T365 A366 E367E359-S363 WeakPolarHBondContact O-CB 3.23Å; E359-S363 PolarHBondContact O-N 3.03Å; S363-T365 VanDerWaalsContact C-N 3.31Å; S363-T365 PolarHBondContact O-N 3.26Å; S363-A366 PolarHBondContact O-N 3.25Å; S363-E367 WeakPolarHBondContact O-CB 3.33Å; S363-E367 PolarHBondContact O-N 3.37Å
364S95.6Very high92.7Very high0 Ų027.9 Ų27.90%015%0.148CC..Hα-helixtrans-69-32.6-179.4-55.60000112.1S283 F360 L362 E368S283-S364 WeakPolarHBondContact CB-OG 3.37Å; S283-S364 VanDerWaalsContact OG-CA 3.28Å; S283-S364 WeakPolarHBondContact OG-CA 3.39Å; S283-S364 WeakPolarHBondContact OG-CB 3.33Å; S283-S364 PolarHBondContact OG-OG 2.92Å; F360-S364 WeakPolarHBondContact CE2-OG 3.39Å; F360-S364 WeakPolarHBondContact CZ-OG 3.38Å; F360-S364 WeakPolarHBondContact O-CB 3.49Å; F360-S364 PolarHBondContact O-N 3.46Å; F360-S364 PolarHBondContact O-OG 3.32Å; L362-S364 PolarHBondContact O-N 2.59Å; S364-E368 PolarHBondContact O-N 2.85Å
365T94.5Very high91.2Very high0 Ų031.1 Ų31.10%017%0.17CC..Hα-helixtrans-66.6-45.3173.8-57.30000110.5M91 L321 V324 L325 I328 I337 V361 L362 S363 E367 E368 V369M91-T365 HydrophobicContact CE-CG2 3.9Å; M91-T365 HydrophobicContact SD-CG2 4.49Å; L321-T365 WeakPolarHBondContact CD1-OG1 3.45Å; V324-T365 HydrophobicContact CG1-CG2 3.76Å; L325-T365 HydrophobicContact CD2-CG2 3.93Å; I328-T365 HydrophobicContact CD1-CG2 4Å; I337-T365 HydrophobicContact CD1-CG2 4.4Å; V361-T365 VanDerWaalsContact O-CB 3.28Å; V361-T365 WeakPolarHBondContact O-CB 3.42Å; V361-T365 PolarHBondContact O-N 3.45Å; V361-T365 PolarHBondContact O-OG1 2.9Å; L362-T365 PolarHBondContact O-N 3.03Å; S363-T365 VanDerWaalsContact C-N 3.31Å; S363-T365 PolarHBondContact O-N 3.26Å; T365-E367 PolarHBondContact O-N 3.37Å; T365-E368 PolarHBondContact O-N 3.06Å; T365-V369 HydrophobicContact CG2-CG2 4.44Å; T365-V369 VanDerWaalsContact O-CG2 3.26Å; T365-V369 WeakPolarHBondContact O-CG2 3.3Å; T365-V369 PolarHBondContact O-N 3.14Å
366A93Very high89.6Confident12 Ų1235.5 Ų35.510%0.09920%0.203CC..Hα-helixtrans-59.5-46.3175.800000111.6L88 M91 L95 L362 S363 E368 V369 D370L88-A366 HydrophobicContact CD2-CB 4.34Å; L88-A366 VanDerWaalsContact CD2-O 3.24Å; L88-A366 WeakPolarHBondContact CD2-O 3.44Å; M91-A366 HydrophobicContact CB-CB 3.75Å; M91-A366 HydrophobicContact CG-CB 4.17Å; L95-A366 HydrophobicContact CD1-CB 4.27Å; L362-A366 PolarHBondContact O-N 2.94Å; S363-A366 PolarHBondContact O-N 3.25Å; A366-E368 PolarHBondContact O-N 2.9Å; A366-V369 PolarHBondContact O-N 2.76Å; A366-D370 PolarHBondContact O-N 2.69Å
367E93.4Very high87.2Confident65 Ų6540.6 Ų40.630%0.30424%0.241SC..Hα-helixtrans-59.9-44178.4-177.3167.9174.600112.2S283 K284 L287 S363 T365 D370 A371S283-E367 PolarHBondContact OG-OE2 3.17Å; K284-E367 WeakPolarHBondContact CE-OE1 3.41Å; K284-E367 WeakPolarHBondContact CG-OE1 3.48Å; L287-E367 HydrophobicContact CD1-CB 4.29Å; L287-E367 HydrophobicContact CD1-CG 4.22Å; S363-E367 WeakPolarHBondContact O-CB 3.33Å; S363-E367 PolarHBondContact O-N 3.37Å; T365-E367 PolarHBondContact O-N 3.37Å; E367-D370 PolarHBondContact O-N 2.75Å; E367-A371 WeakPolarHBondContact O-CB 3.47Å; E367-A371 PolarHBondContact O-N 3.15Å
368E92.9Very high86.8Confident3 Ų342.3 Ų42.31%0.01425%0.252CS..Hα-helixtrans-66.4-40.8177.6-17077.6167.700112L287 R291 L325 S364 T365 A366 A371 M372L287-E368 HydrophobicContact CD1-CB 4.14Å; L287-E368 WeakPolarHBondContact CD1-OE2 3.33Å; L287-E368 HydrophobicContact CD2-CB 3.86Å; L287-E368 HydrophobicContact CD2-CG 4.22Å; R291-E368 IonicContact CZ-OE1 3.87Å; R291-E368 IonicContact CZ-OE2 3.89Å; R291-E368 IonicContact NH1-OE1 2.64Å; R291-E368 PolarHBondContact NH1-OE1 2.9Å; R291-E368 IonicContact NH1-OE2 3.92Å; R291-E368 PolarHBondContact NH1-OE2 3.45Å; L325-E368 HydrophobicContact CD1-CB 4.06Å; L325-E368 HydrophobicContact CD1-CG 3.92Å; L325-E368 HydrophobicContact CD2-CB 3.74Å; L325-E368 HydrophobicContact CD2-CG 3.78Å; L325-E368 HydrophobicContact CG-CG 4.47Å; S364-E368 PolarHBondContact O-N 2.85Å; T365-E368 PolarHBondContact O-N 3.06Å; A366-E368 PolarHBondContact O-N 2.9Å; E368-A371 PolarHBondContact O-N 2.81Å; E368-M372 HydrophobicContact CG-CE 3.82Å; E368-M372 VanDerWaalsContact O-CG 3.27Å; E368-M372 WeakPolarHBondContact O-CG 3.48Å; E368-M372 PolarHBondContact O-N 3.1Å
369V91.6Very high86.3Confident0 Ų044.4 Ų44.40%027%0.265CS..Hα-helixtrans-67.3-39.7178.8176.90000111.1I79 I87 L88 I328 T365 A366 A371 M372 L373I79-V369 HydrophobicContact CD1-CG1 4.4Å; I87-V369 HydrophobicContact CG2-CG1 4.31Å; I87-V369 HydrophobicContact CG2-CG2 4.04Å; L88-V369 HydrophobicContact CD1-CG1 4.36Å; L88-V369 HydrophobicContact CD2-CB 3.89Å; L88-V369 HydrophobicContact CD2-CG1 3.93Å; L88-V369 HydrophobicContact CG-CB 4.27Å; L88-V369 HydrophobicContact CG-CG1 3.72Å; I328-V369 HydrophobicContact CD1-CG2 3.47Å; I328-V369 VanDerWaalsContact CD1-CG2 3.47Å; T365-V369 HydrophobicContact CG2-CG2 4.44Å; T365-V369 VanDerWaalsContact O-CG2 3.26Å; T365-V369 WeakPolarHBondContact O-CG2 3.3Å; T365-V369 PolarHBondContact O-N 3.14Å; A366-V369 PolarHBondContact O-N 2.76Å; V369-A371 VanDerWaalsContact C-N 3.32Å; V369-A371 PolarHBondContact O-N 3.25Å; V369-M372 WeakPolarHBondContact O-CB 3.15Å; V369-M372 PolarHBondContact O-N 3.35Å; V369-L373 WeakPolarHBondContact O-CG 3.47Å; V369-L373 PolarHBondContact O-N 3.36Å
370D90.6Very high85.9Confident74 Ų7445.4 Ų45.440%0.39627%0.272SS..Hα-helixtrans-60.2-46.7173.7-176.668000110.3L88 A366 E367 M372 L373 Q374L88-D370 HydrophobicContact CD1-CB 4.33Å; L88-D370 HydrophobicContact CD2-CB 4.19Å; A366-D370 PolarHBondContact O-N 2.69Å; E367-D370 PolarHBondContact O-N 2.75Å; D370-M372 VanDerWaalsContact C-N 3.28Å; D370-M372 PolarHBondContact O-N 3.16Å; D370-L373 PolarHBondContact O-N 3.22Å; D370-Q374 WeakPolarHBondContact O-CG 3.4Å; D370-Q374 PolarHBondContact O-N 2.83Å; D370-Q374 VanDerWaalsContact O-N 3.12Å; D370-Q374 PolarHBondContact OD2-NE2 3.27Å
371A89.4Confident85.3Confident28 Ų2848.1 Ų48.123%0.23129%0.288CS..Hα-helixtrans-65.6-27.9177.600000113.4I75 E367 E368 V369 L373I75-A371 HydrophobicContact CD1-CB 3.36Å; E367-A371 WeakPolarHBondContact O-CB 3.47Å; E367-A371 PolarHBondContact O-N 3.15Å; E368-A371 PolarHBondContact O-N 2.81Å; V369-A371 VanDerWaalsContact C-N 3.32Å; V369-A371 PolarHBondContact O-N 3.25Å; A371-L373 VanDerWaalsContact C-N 3.32Å
372M88.3Confident84.6Confident4 Ų451.1 Ų51.12%0.0231%0.306CS..Hα-helixtrans-68.6-27.3170.2-74.2170.7176.700113I75 C77 I79 I328 E368 V369 D370I75-M372 HydrophobicContact CG2-CB 4.32Å; I75-M372 HydrophobicContact CG2-CE 4.36Å; I75-M372 HydrophobicContact CG2-CG 3.41Å; I75-M372 VanDerWaalsContact CG2-CG 3.41Å; C77-M372 PolarHBondContact SG-O 3.46Å; C77-M372 VanDerWaalsContact SG-O 3.34Å; I79-M372 HydrophobicContact CG2-CB 4.08Å; I328-M372 HydrophobicContact CG2-SD 4.24Å; E368-M372 HydrophobicContact CG-CE 3.82Å; E368-M372 VanDerWaalsContact O-CG 3.27Å; E368-M372 WeakPolarHBondContact O-CG 3.48Å; E368-M372 PolarHBondContact O-N 3.1Å; V369-M372 WeakPolarHBondContact O-CB 3.15Å; V369-M372 PolarHBondContact O-N 3.35Å; D370-M372 VanDerWaalsContact C-N 3.28Å; D370-M372 PolarHBondContact O-N 3.16Å
373L86.3Confident84Confident35 Ų3554.5 Ų54.518%0.18333%0.327CS..Hα-helixtrans-89.2-18.8179.9-67.8179.2000113.5I79 V81 L88 V369 D370 A371I79-L373 HydrophobicContact CG2-CD2 4.22Å; V81-L373 HydrophobicContact CB-CD2 4.43Å; V81-L373 HydrophobicContact CG2-CD2 4.34Å; L88-L373 HydrophobicContact CD1-CD1 3.53Å; L88-L373 HydrophobicContact CG-CD1 4.48Å; V369-L373 WeakPolarHBondContact O-CG 3.47Å; V369-L373 PolarHBondContact O-N 3.36Å; D370-L373 PolarHBondContact O-N 3.22Å; A371-L373 VanDerWaalsContact C-N 3.32Å
374Q82.1Confident83.2Confident119 Ų11956.3 Ų56.356%0.55634%0.336SS*.SBendtrans-65.1134.3175.8-69.6-178.419.100109.9D370 S376D370-Q374 WeakPolarHBondContact O-CG 3.4Å; D370-Q374 PolarHBondContact O-N 2.83Å; D370-Q374 VanDerWaalsContact O-N 3.12Å; D370-Q374 PolarHBondContact OD2-NE2 3.27Å; Q374-S376 PolarHBondContact O-N 3.05Å
375P62.7Low82.3Confident116 Ų11660.6 Ų60.675%0.75336%0.361SS*.  trans-58.3130.2176.922.3-30.3000109.1T377P375-T377 PolarHBondContact O-N 3.26Å
376S61.7Low81.3Confident122 Ų12265.7 Ų65.785%0.85339%0.391SS*.  trans-54.9110.9172.327.90000108.7Q374Q374-S376 PolarHBondContact O-N 3.05Å
377T43.6Very low80.2Confident210 Ų21070.5 Ų70.5100%1.28842%0.418SS*.  trans-71.90165.426.80000108.9P375P375-T377 PolarHBondContact O-N 3.26Å

Retrieved 377 of 377 residues in 393.8 ms (Link to these results)

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