A0A3Q0KU62_SCHMA Loading...

DAGKc domain-containing protein

AlphaFold DB , UniProt , Accession A0A3Q0KU62, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 408 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
1M77.5Confident80.1Confident192 Ų19289.1 Ų89.195%0.94646%0.456SS*.  0126.90-178.5169.860.300107.1Y3M1-Y3 HydrophobicContact CE-CE2 3.62Å; M1-Y3 WeakPolarHBondContact CE-OH 3.39Å; M1-Y3 HydrophobicContact CG-CE2 4.33Å; M1-Y3 HydrophobicContact SD-CE2 4.31Å
2V79Confident80.7Confident86 Ų8689.9 Ų89.952%0.52146%0.462SS..  trans-117.2127.4-179.6179.90000106.7L4 F13V2-L4 HydrophobicContact CG1-CD2 3.95Å; V2-F13 HydrophobicContact CG1-CD1 4.04Å; V2-F13 HydrophobicContact CG1-CD2 4Å; V2-F13 HydrophobicContact CG1-CE1 3.66Å; V2-F13 HydrophobicContact CG1-CE2 3.63Å; V2-F13 HydrophobicContact CG1-CG 4.2Å; V2-F13 HydrophobicContact CG1-CZ 3.44Å; V2-F13 VanDerWaalsContact CG1-CZ 3.44Å
3Y80.1Confident81.1Confident179 Ų17989.9 Ų89.970%0.70246%0.457SS*.  trans-92.2138.4171-66.9-81.8000108.2M1M1-Y3 HydrophobicContact CE-CE2 3.62Å; M1-Y3 WeakPolarHBondContact CE-OH 3.39Å; M1-Y3 HydrophobicContact CG-CE2 4.33Å; M1-Y3 HydrophobicContact SD-CE2 4.31Å
4L79.5Confident81.5Confident49 Ų4984.3 Ų84.326%0.25743%0.428SS..  trans-112.2132.4179.6-53.6177.5000107.5V2 E9 I10 F13 M33V2-L4 HydrophobicContact CG1-CD2 3.95Å; L4-E9 WeakPolarHBondContact CA-OE2 3.47Å; L4-E9 HydrophobicContact CB-CB 4.48Å; L4-E9 HydrophobicContact CD2-CB 3.91Å; L4-I10 HydrophobicContact CD1-CB 3.67Å; L4-I10 HydrophobicContact CD1-CD1 4.16Å; L4-I10 HydrophobicContact CD1-CG1 3.91Å; L4-F13 HydrophobicContact CD2-CD2 3.31Å; L4-F13 HydrophobicContact CD2-CE2 3.36Å; L4-F13 HydrophobicContact CD2-CG 4.43Å; L4-M33 HydrophobicContact CD1-CE 3.94Å
5D75.6Confident81.8Confident152 Ų15286.1 Ų86.181%0.81343%0.432SS*.SBendtrans-80.6-31.3174.1-67.8-31.8000110.2E9D5-E9 PolarHBondContact N-OE2 2.92Å
6T78.5Confident82Confident63 Ų6388.1 Ų88.139%0.38745%0.45SS..SBendtrans-134149.5178.665.30000112.6S8 E9T6-S8 PolarHBondContact O-N 3.27Å; T6-S8 PolarHBondContact OG1-OG 2.69Å; T6-E9 PolarHBondContact N-OE1 2.92Å; T6-E9 VanDerWaalsContact N-OE1 3.16Å; T6-E9 PolarHBondContact O-N 2.96Å; T6-E9 VanDerWaalsContact O-N 3.13Å; T6-E9 PolarHBondContact OG1-OE1 3.02Å
7D75.7Confident82.2Confident57 Ų5785.2 Ų85.231%0.30544%0.435SS..THydrogen-bonded Turntrans-57.7-23174.4-62.8-3.6000113.2I10 K36D7-I10 WeakPolarHBondContact O-CG2 3.46Å; D7-K36 HydrophobicContact CB-CD 3.96Å; D7-K36 VanDerWaalsContact CB-NZ 3.26Å; D7-K36 IonicContact OD2-NZ 3.93Å; D7-K36 PolarHBondContact OD2-NZ 3.28Å
8S77.6Confident82.3Confident69 Ų6984.7 Ų84.748%0.48343%0.434SS..THydrogen-bonded Turntrans-69.5-34.1178.928.50000113.1T6 I10 K11T6-S8 PolarHBondContact O-N 3.27Å; T6-S8 PolarHBondContact OG1-OG 2.69Å; S8-I10 PolarHBondContact O-N 2.86Å; S8-K11 WeakPolarHBondContact O-CB 3.39Å; S8-K11 WeakPolarHBondContact O-CG 3.32Å; S8-K11 PolarHBondContact O-N 3.38Å
9E85.1Confident82.2Confident48 Ų4881.4 Ų81.422%0.22442%0.418CS..Hα-helixtrans-62.9-26.4-177.3-76.1153.9-136.300112.4L4 D5 T6 K11 D12 F13L4-E9 WeakPolarHBondContact CA-OE2 3.47Å; L4-E9 HydrophobicContact CB-CB 4.48Å; L4-E9 HydrophobicContact CD2-CB 3.91Å; D5-E9 PolarHBondContact N-OE2 2.92Å; T6-E9 PolarHBondContact N-OE1 2.92Å; T6-E9 VanDerWaalsContact N-OE1 3.16Å; T6-E9 PolarHBondContact O-N 2.96Å; T6-E9 VanDerWaalsContact O-N 3.13Å; T6-E9 PolarHBondContact OG1-OE1 3.02Å; E9-K11 PolarHBondContact O-N 3Å; E9-K11 VanDerWaalsContact O-N 3.09Å; E9-D12 PolarHBondContact O-N 3.25Å; E9-F13 HydrophobicContact CB-CD2 4.36Å; E9-F13 HydrophobicContact CB-CE2 4.22Å; E9-F13 VanDerWaalsContact O-CD2 3.23Å; E9-F13 WeakPolarHBondContact O-CD2 3.42Å; E9-F13 PolarHBondContact O-N 3.08Å; E9-F13 VanDerWaalsContact O-N 3.13Å
10I87Confident82.1Confident11 Ų1182.7 Ų82.76%0.05644%0.435CS..Hα-helixtrans-55-33.2175.9-155.7164000111.5L4 D7 S8 D12 I14 V27 M33 K36 A37L4-I10 HydrophobicContact CD1-CB 3.67Å; L4-I10 HydrophobicContact CD1-CD1 4.16Å; L4-I10 HydrophobicContact CD1-CG1 3.91Å; D7-I10 WeakPolarHBondContact O-CG2 3.46Å; S8-I10 PolarHBondContact O-N 2.86Å; I10-D12 VanDerWaalsContact C-N 3.33Å; I10-I14 HydrophobicContact CG1-CG1 4.31Å; I10-I14 WeakPolarHBondContact O-CB 3.41Å; I10-I14 WeakPolarHBondContact O-CG1 3.47Å; I10-I14 PolarHBondContact O-N 3.14Å; I10-I14 VanDerWaalsContact O-N 3.08Å; I10-V27 HydrophobicContact CD1-CG1 4.06Å; I10-V27 HydrophobicContact CD1-CG2 4.36Å; I10-M33 HydrophobicContact CD1-CE 4.31Å; I10-K36 HydrophobicContact CG2-CB 3.58Å; I10-A37 HydrophobicContact CD1-CB 3.75Å; I10-A37 HydrophobicContact CG1-CB 4.15Å
11K86.1Confident82.3Confident74 Ų7482.8 Ų82.832%0.32244%0.443SS..Hα-helixtrans-67-39.9-179.5-55.3-165.2175.91780111S8 E9 K15 S40S8-K11 WeakPolarHBondContact O-CB 3.39Å; S8-K11 WeakPolarHBondContact O-CG 3.32Å; S8-K11 PolarHBondContact O-N 3.38Å; E9-K11 PolarHBondContact O-N 3Å; E9-K11 VanDerWaalsContact O-N 3.09Å; K11-K15 WeakPolarHBondContact O-CB 3.33Å; K11-K15 WeakPolarHBondContact O-CD 3.36Å; K11-K15 WeakPolarHBondContact O-CG 3.24Å; K11-K15 PolarHBondContact O-N 2.9Å; K11-S40 VanDerWaalsContact CA-OG 3.23Å; K11-S40 WeakPolarHBondContact CA-OG 3.32Å; K11-S40 VanDerWaalsContact CB-OG 3.28Å; K11-S40 WeakPolarHBondContact CB-OG 3.34Å; K11-S40 VanDerWaalsContact CG-OG 3.23Å; K11-S40 WeakPolarHBondContact CG-OG 3.17Å
12D86.6Confident82.8Confident99 Ų9975.2 Ų75.253%0.52941%0.407SS..Hα-helixtrans-72.1-41.2-177.4-60.6-28.3000110.7E9 I10 K15 V16E9-D12 PolarHBondContact O-N 3.25Å; I10-D12 VanDerWaalsContact C-N 3.33Å; D12-K15 PolarHBondContact O-N 2.76Å; D12-V16 PolarHBondContact O-N 2.86Å
13F86.4Confident83.2Confident90 Ų9078.5 Ų78.540%0.39542%0.422SS..Hα-helixtrans-65.3-44.8176.5-76.1-70.3000113.3V2 L4 E9 K15 V16 L17V2-F13 HydrophobicContact CG1-CD1 4.04Å; V2-F13 HydrophobicContact CG1-CD2 4Å; V2-F13 HydrophobicContact CG1-CE1 3.66Å; V2-F13 HydrophobicContact CG1-CE2 3.63Å; V2-F13 HydrophobicContact CG1-CG 4.2Å; V2-F13 HydrophobicContact CG1-CZ 3.44Å; V2-F13 VanDerWaalsContact CG1-CZ 3.44Å; L4-F13 HydrophobicContact CD2-CD2 3.31Å; L4-F13 HydrophobicContact CD2-CE2 3.36Å; L4-F13 HydrophobicContact CD2-CG 4.43Å; E9-F13 HydrophobicContact CB-CD2 4.36Å; E9-F13 HydrophobicContact CB-CE2 4.22Å; E9-F13 VanDerWaalsContact O-CD2 3.23Å; E9-F13 WeakPolarHBondContact O-CD2 3.42Å; E9-F13 PolarHBondContact O-N 3.08Å; E9-F13 VanDerWaalsContact O-N 3.13Å; F13-K15 VanDerWaalsContact C-N 3.28Å; F13-K15 PolarHBondContact O-N 2.79Å; F13-V16 WeakPolarHBondContact O-CG2 3.22Å; F13-V16 PolarHBondContact O-N 3.39Å; F13-L17 PolarHBondContact O-N 2.82Å
14I87.1Confident83.6Confident11 Ų1171.2 Ų71.26%0.05640%0.401CS..Hα-helixtrans-67.3-32.2-178.7-65.3-67.3000111.7I10 V16 L17 V25 A37 L41 R44I10-I14 HydrophobicContact CG1-CG1 4.31Å; I10-I14 WeakPolarHBondContact O-CB 3.41Å; I10-I14 WeakPolarHBondContact O-CG1 3.47Å; I10-I14 PolarHBondContact O-N 3.14Å; I10-I14 VanDerWaalsContact O-N 3.08Å; I14-V16 VanDerWaalsContact C-N 3.33Å; I14-V16 PolarHBondContact O-N 3.19Å; I14-L17 PolarHBondContact O-N 3.22Å; I14-V25 HydrophobicContact CD1-CG1 3.78Å; I14-V25 HydrophobicContact CD1-CG2 4.06Å; I14-A37 HydrophobicContact CG1-CB 4.39Å; I14-L41 HydrophobicContact CG2-CB 3.87Å; I14-L41 HydrophobicContact CG2-CD1 4.28Å; I14-R44 PolarHBondContact O-NH1 3.12Å
15K85.5Confident84.2Confident111 Ų11169.9 Ų69.948%0.48340%0.395SS..Hα-helixtrans-65.2-33.8176.9-79173.1-178.9-179.30113.4K11 D12 F13K11-K15 WeakPolarHBondContact O-CB 3.33Å; K11-K15 WeakPolarHBondContact O-CD 3.36Å; K11-K15 WeakPolarHBondContact O-CG 3.24Å; K11-K15 PolarHBondContact O-N 2.9Å; D12-K15 PolarHBondContact O-N 2.76Å; F13-K15 VanDerWaalsContact C-N 3.28Å; F13-K15 PolarHBondContact O-N 2.79Å
16V85.5Confident85Confident119 Ų11966.5 Ų66.572%0.72138%0.377SS*.Hα-helixtrans-95.2-4.3-178.2-590000113.8D12 F13 I14 D18D12-V16 PolarHBondContact O-N 2.86Å; F13-V16 WeakPolarHBondContact O-CG2 3.22Å; F13-V16 PolarHBondContact O-N 3.39Å; I14-V16 VanDerWaalsContact C-N 3.33Å; I14-V16 PolarHBondContact O-N 3.19Å; V16-D18 PolarHBondContact O-N 3.08Å
17L84.9Confident85.6Confident38 Ų3863.9 Ų63.920%0.19936%0.361CS..  trans-64.7127.5-176.7-169.7119.3000111.3F13 I14 P19 T22 V25 R44 L55F13-L17 PolarHBondContact O-N 2.82Å; I14-L17 PolarHBondContact O-N 3.22Å; L17-P19 WeakPolarHBondContact O-CD 3.48Å; L17-T22 HydrophobicContact CD1-CG2 4.04Å; L17-T22 HydrophobicContact CD2-CG2 3.93Å; L17-T22 HydrophobicContact CG-CG2 4.28Å; L17-V25 HydrophobicContact CD1-CG2 4.31Å; L17-V25 HydrophobicContact CD2-CG2 4.32Å; L17-R44 VanDerWaalsContact O-CZ 3.32Å; L17-R44 PolarHBondContact O-NH1 2.93Å; L17-R44 PolarHBondContact O-NH2 3.05Å; L17-L55 HydrophobicContact CD2-CD2 3.44Å; L17-L55 VanDerWaalsContact CD2-CD2 3.44Å
18D84.6Confident86.3Confident76 Ų7665 Ų6541%0.40637%0.369SS..  trans-87.9112.4173.3176.77.7000110V16 S20 S21 T22V16-D18 PolarHBondContact O-N 3.08Å; D18-S20 PolarHBondContact O-N 3.28Å; D18-S20 WeakPolarHBondContact OD1-CB 3.45Å; D18-S20 PolarHBondContact OD1-N 2.93Å; D18-S20 PolarHBondContact OD1-OG 2.71Å; D18-S20 PolarHBondContact OD2-OG 3.23Å; D18-S21 PolarHBondContact O-N 2.89Å; D18-S21 PolarHBondContact O-OG 2.98Å; D18-S21 VanDerWaalsContact O-OG 3.08Å; D18-T22 WeakPolarHBondContact O-CB 3.39Å; D18-T22 PolarHBondContact O-N 2.85Å; D18-T22 PolarHBondContact O-OG1 3.05Å
19P80.1Confident86.7Confident22 Ų2261.9 Ų61.914%0.14335%0.348CS..THydrogen-bonded Turntrans-71.1-13.7-179.330.4-35.6000113.5L17 S21 T50 L52L17-P19 WeakPolarHBondContact O-CD 3.48Å; P19-S21 VanDerWaalsContact C-N 3.29Å; P19-T50 HydrophobicContact CB-CG2 4.41Å; P19-T50 HydrophobicContact CG-CG2 3.15Å; P19-L52 HydrophobicContact CB-CD2 3.74Å; P19-L52 HydrophobicContact CB-CG 4.42Å; P19-L52 HydrophobicContact CG-CD2 3.67Å; P19-L52 HydrophobicContact CG-CG 4.09Å
20S80.5Confident86.7Confident108 Ų10860.2 Ų60.276%0.75534%0.341SS*.THydrogen-bonded Turntrans-76.5-20.3174.274.40000113D18D18-S20 PolarHBondContact O-N 3.28Å; D18-S20 WeakPolarHBondContact OD1-CB 3.45Å; D18-S20 PolarHBondContact OD1-N 2.93Å; D18-S20 PolarHBondContact OD1-OG 2.71Å; D18-S20 PolarHBondContact OD2-OG 3.23Å
21S85.5Confident86.6Confident85 Ų8559.8 Ų59.859%0.59434%0.338SS*.THydrogen-bonded Turntrans-109.3-4.9178.766.20000113.7D18 P19D18-S21 PolarHBondContact O-N 2.89Å; D18-S21 PolarHBondContact O-OG 2.98Å; D18-S21 VanDerWaalsContact O-OG 3.08Å; P19-S21 VanDerWaalsContact C-N 3.29Å
22T87.6Confident86.6Confident33 Ų3356.8 Ų56.820%0.20233%0.326CS..  trans-118.1119.8-176.4-510000110.7L17 D18 G24 L55L17-T22 HydrophobicContact CD1-CG2 4.04Å; L17-T22 HydrophobicContact CD2-CG2 3.93Å; L17-T22 HydrophobicContact CG-CG2 4.28Å; D18-T22 WeakPolarHBondContact O-CB 3.39Å; D18-T22 PolarHBondContact O-N 2.85Å; D18-T22 PolarHBondContact O-OG1 3.05Å; T22-G24 WeakPolarHBondContact CG2-O 2.98Å; T22-L55 HydrophobicContact CG2-CD1 4.12Å; T22-L55 WeakPolarHBondContact O-CD1 3.37Å
23D87.1Confident86.7Confident154 Ų15453.5 Ų53.582%0.82431%0.308SS*.SBendtrans-80.4-20.1-179.8-61.2-50.2000113.6P56D23-P56 VanDerWaalsContact O-CD 3.24Å; D23-P56 WeakPolarHBondContact O-CD 3.09Å; D23-P56 WeakPolarHBondContact O-CG 3.24Å
24G89.6Confident86.8Confident26 Ų2649.2 Ų49.227%0.26829%0.289SS..  trans178.3164.8179.600000112.6T22 P56T22-G24 WeakPolarHBondContact CG2-O 2.98Å; G24-P56 WeakPolarHBondContact CA-O 3.26Å
25V91.7Very high87Confident21 Ų2148.8 Ų48.813%0.12729%0.287CS..EExtended strand (participates in β ladder)trans-116121.2177177.70000108.4I14 L17 V27 L55 P56 I57 G58I14-V25 HydrophobicContact CD1-CG1 3.78Å; I14-V25 HydrophobicContact CD1-CG2 4.06Å; L17-V25 HydrophobicContact CD1-CG2 4.31Å; L17-V25 HydrophobicContact CD2-CG2 4.32Å; V25-V27 HydrophobicContact CG1-CG2 4.06Å; V25-L55 HydrophobicContact CG2-CD2 3.91Å; V25-L55 HydrophobicContact CG2-CG 4.38Å; V25-P56 PolarHBondContact N-O 3.22Å; V25-I57 CarbonylContact O-C 3.5Å; V25-I57 WeakPolarHBondContact O-CA 3.39Å; V25-G58 PolarHBondContact O-N 3.09Å
26L92.2Very high87.2Confident82 Ų8244.6 Ų44.643%0.42927%0.269SS..EExtended strand (participates in β ladder)trans-106.3111.5174.5-173.164.8000109.6V60 V89L26-V60 HydrophobicContact CD1-CG2 3.79Å; L26-V60 HydrophobicContact CD2-CG2 3.97Å; L26-V60 HydrophobicContact CG-CG2 3.9Å; L26-V89 HydrophobicContact CD1-CG2 4.05Å
27V91.6Very high87.5Confident8 Ų838.9 Ų38.95%0.04823%0.234CC..EExtended strand (participates in β ladder)trans-93.4120.3179.4-176.60000109.5I10 V25 M33 I34 A37 I57 G58 A59 V60I10-V27 HydrophobicContact CD1-CG1 4.06Å; I10-V27 HydrophobicContact CD1-CG2 4.36Å; V25-V27 HydrophobicContact CG1-CG2 4.06Å; V27-M33 HydrophobicContact CG1-CB 3.92Å; V27-I34 HydrophobicContact CB-CG1 4.23Å; V27-I34 HydrophobicContact CG1-CG1 4.01Å; V27-A37 HydrophobicContact CG2-CB 3.93Å; V27-I57 HydrophobicContact CG2-CG2 4.21Å; V27-G58 PolarHBondContact N-O 2.84Å; V27-A59 CarbonylContact O-C 3.58Å; V27-A59 VanDerWaalsContact O-CA 3.23Å; V27-A59 WeakPolarHBondContact O-CA 3Å; V27-V60 PolarHBondContact O-N 3.04Å
28V89.5Confident87.8Confident79 Ų7937.1 Ų37.148%0.47923%0.225SC..EExtended strand (participates in β ladder)trans-101.899.8176.8-176.90000107.6V60 V62V28-V60 HydrophobicContact CB-CB 4.31Å; V28-V60 HydrophobicContact CG1-CB 4.16Å; V28-V60 HydrophobicContact CG1-CG1 4.44Å; V28-V60 HydrophobicContact CG2-CB 3.99Å; V28-V60 HydrophobicContact CG2-CG2 3.94Å; V28-V62 HydrophobicContact CG1-CB 4.32Å; V28-V62 HydrophobicContact CG1-CG1 3.75Å; V28-V62 HydrophobicContact CG1-CG2 3.57Å
29G86.7Confident88.1Confident5 Ų534 Ų345%0.05221%0.209CC..EExtended strand (participates in β ladder)trans179.7-158.4-171.500000114.3V60 V62 G63 N66G29-V60 PolarHBondContact N-O 3.03Å; G29-V60 VanDerWaalsContact N-O 3.12Å; G29-V62 PolarHBondContact O-N 2.8Å; G29-G63 PolarHBondContact O-N 2.91Å; G29-N66 PolarHBondContact O-OD1 3.08Å
30D85.4Confident88.5Confident12 Ų1233.1 Ų33.16%0.06420%0.203CC..  trans-98.1-178.5171.461.413.7000112.1N32 M33 I34 W65D30-N32 PolarHBondContact O-N 2.87Å; D30-N32 WeakPolarHBondContact OD1-CB 3.23Å; D30-N32 PolarHBondContact OD1-N 2.83Å; D30-N32 VanDerWaalsContact OD1-N 3.13Å; D30-M33 PolarHBondContact O-N 3.08Å; D30-M33 PolarHBondContact OD1-N 3.2Å; D30-M33 VanDerWaalsContact OD1-N 3.08Å; D30-I34 WeakPolarHBondContact O-CD1 3.45Å; D30-I34 WeakPolarHBondContact O-CG1 3.18Å; D30-I34 PolarHBondContact O-N 3.22Å; D30-W65 CarbonylContact C-O 3.27Å; D30-W65 VanDerWaalsContact CA-O 3.29Å; D30-W65 WeakPolarHBondContact CA-O 3.09Å; D30-W65 HydrophobicContact CB-CB 4.27Å; D30-W65 WeakPolarHBondContact CB-O 3.5Å
31D85.6Confident89Confident2 Ų228.2 Ų28.21%0.01117%0.168CC..Hα-helixtrans-54.5-34.8176.2-62.7-30000112.5I34 Q35 W65 N66 G67 L68D31-I34 PolarHBondContact O-N 3.47Å; D31-Q35 VanDerWaalsContact O-CB 3.27Å; D31-Q35 WeakPolarHBondContact O-CB 3.37Å; D31-Q35 PolarHBondContact O-N 2.9Å; D31-W65 PolarHBondContact N-O 3.23Å; D31-N66 WeakPolarHBondContact OD1-CA 3.28Å; D31-G67 VanDerWaalsContact CG-N 3.3Å; D31-G67 PolarHBondContact OD1-N 3.11Å; D31-G67 VanDerWaalsContact OD1-N 3.07Å; D31-G67 WeakPolarHBondContact OD2-CA 3.47Å; D31-G67 PolarHBondContact OD2-N 3.3Å; D31-L68 WeakPolarHBondContact OD1-CB 3.46Å; D31-L68 PolarHBondContact OD1-N 3.48Å
32N85.2Confident89.2Confident12 Ų1224.9 Ų24.96%0.06414%0.144CC..Hα-helixtrans-66.5-47.4-178.5-175.32.6000111.1D30 I34 Q35 K36 D388D30-N32 PolarHBondContact O-N 2.87Å; D30-N32 WeakPolarHBondContact OD1-CB 3.23Å; D30-N32 PolarHBondContact OD1-N 2.83Å; D30-N32 VanDerWaalsContact OD1-N 3.13Å; N32-I34 VanDerWaalsContact C-N 3.3Å; N32-I34 PolarHBondContact O-N 3.31Å; N32-Q35 PolarHBondContact O-N 3.44Å; N32-K36 PolarHBondContact ND2-NZ 3.31Å; N32-K36 VanDerWaalsContact ND2-NZ 3.16Å; N32-K36 WeakPolarHBondContact O-CG 3.23Å; N32-K36 PolarHBondContact O-N 3.47Å; N32-K36 WeakPolarHBondContact OD1-CD 3.21Å; N32-K36 WeakPolarHBondContact OD1-CE 3.34Å; N32-K36 PolarHBondContact OD1-NZ 3.15Å; N32-K36 VanDerWaalsContact OD1-NZ 3.08Å; N32-D388 PolarHBondContact OD1-OD2 3.06Å
33M87.6Confident89.2Confident30 Ų3025.8 Ų25.815%0.14815%0.151CC..Hα-helixtrans-60.4-41.6176.3-68.6-170.671.900111.9L4 I10 V27 D30 K36 A37L4-M33 HydrophobicContact CD1-CE 3.94Å; I10-M33 HydrophobicContact CD1-CE 4.31Å; V27-M33 HydrophobicContact CG1-CB 3.92Å; D30-M33 PolarHBondContact O-N 3.08Å; D30-M33 PolarHBondContact OD1-N 3.2Å; D30-M33 VanDerWaalsContact OD1-N 3.08Å; M33-K36 PolarHBondContact O-N 3.4Å; M33-A37 WeakPolarHBondContact O-CB 3.36Å; M33-A37 PolarHBondContact O-N 3.45Å
34I90.3Very high89.2Confident0 Ų019.6 Ų19.60%012%0.116CC..Hα-helixtrans-66.2-43179.1-55.5159.1000110.3V27 D30 D31 N32 K36 A37 V38 A59 L68 I69 L125 F406V27-I34 HydrophobicContact CB-CG1 4.23Å; V27-I34 HydrophobicContact CG1-CG1 4.01Å; D30-I34 WeakPolarHBondContact O-CD1 3.45Å; D30-I34 WeakPolarHBondContact O-CG1 3.18Å; D30-I34 PolarHBondContact O-N 3.22Å; D31-I34 PolarHBondContact O-N 3.47Å; N32-I34 VanDerWaalsContact C-N 3.3Å; N32-I34 PolarHBondContact O-N 3.31Å; I34-K36 VanDerWaalsContact C-N 3.33Å; I34-K36 PolarHBondContact O-N 3.48Å; I34-A37 PolarHBondContact O-N 3.26Å; I34-V38 HydrophobicContact CG2-CG2 4.37Å; I34-V38 WeakPolarHBondContact O-CB 3.43Å; I34-V38 VanDerWaalsContact O-CG2 3.3Å; I34-V38 WeakPolarHBondContact O-CG2 3.36Å; I34-V38 PolarHBondContact O-N 2.73Å; I34-A59 HydrophobicContact CD1-CB 3.37Å; I34-A59 HydrophobicContact CG1-CB 3.88Å; I34-L68 HydrophobicContact CB-CD2 4.2Å; I34-L68 HydrophobicContact CD1-CD2 3.99Å; I34-L68 HydrophobicContact CG2-CD2 3.59Å; I34-I69 HydrophobicContact CD1-CD1 4.25Å; I34-L125 HydrophobicContact CB-CD1 4.42Å; I34-L125 HydrophobicContact CG2-CD1 3.8Å; I34-F406 HydrophobicContact CG2-CE1 4.08Å
35Q90.3Very high88.9Confident2 Ų226.3 Ų26.31%0.00915%0.146CC..Hα-helixtrans-59.4-43.1176-176.8-80-17.700111.6D31 N32 V38 T39 Y123 L125 D386D31-Q35 VanDerWaalsContact O-CB 3.27Å; D31-Q35 WeakPolarHBondContact O-CB 3.37Å; D31-Q35 PolarHBondContact O-N 2.9Å; N32-Q35 PolarHBondContact O-N 3.44Å; Q35-V38 PolarHBondContact O-N 2.85Å; Q35-T39 PolarHBondContact NE2-OG1 3.42Å; Q35-T39 VanDerWaalsContact O-CB 3.23Å; Q35-T39 WeakPolarHBondContact O-CB 3.17Å; Q35-T39 PolarHBondContact O-N 2.94Å; Q35-T39 PolarHBondContact O-OG1 3.21Å; Q35-Y123 WeakPolarHBondContact CG-O 3.46Å; Q35-Y123 PolarHBondContact NE2-O 3.15Å; Q35-L125 HydrophobicContact CB-CD1 4.43Å; Q35-D386 HydrophobicContact CB-CB 4Å; Q35-D386 HydrophobicContact CG-CB 3.93Å; Q35-D386 VanDerWaalsContact CG-OD2 3.24Å; Q35-D386 WeakPolarHBondContact CG-OD2 3.42Å
36K90.2Very high88.4Confident22 Ų2227.4 Ų27.410%0.09615%0.151CC..Hα-helixtrans-66.5-40.6177.2-74.1169.8176.8156.20111.8D7 I10 N32 M33 I34 S40 D388D7-K36 HydrophobicContact CB-CD 3.96Å; D7-K36 VanDerWaalsContact CB-NZ 3.26Å; D7-K36 IonicContact OD2-NZ 3.93Å; D7-K36 PolarHBondContact OD2-NZ 3.28Å; I10-K36 HydrophobicContact CG2-CB 3.58Å; N32-K36 PolarHBondContact ND2-NZ 3.31Å; N32-K36 VanDerWaalsContact ND2-NZ 3.16Å; N32-K36 WeakPolarHBondContact O-CG 3.23Å; N32-K36 PolarHBondContact O-N 3.47Å; N32-K36 WeakPolarHBondContact OD1-CD 3.21Å; N32-K36 WeakPolarHBondContact OD1-CE 3.34Å; N32-K36 PolarHBondContact OD1-NZ 3.15Å; N32-K36 VanDerWaalsContact OD1-NZ 3.08Å; M33-K36 PolarHBondContact O-N 3.4Å; I34-K36 VanDerWaalsContact C-N 3.33Å; I34-K36 PolarHBondContact O-N 3.48Å; K36-S40 VanDerWaalsContact O-CB 3.3Å; K36-S40 WeakPolarHBondContact O-CB 3.19Å; K36-S40 PolarHBondContact O-N 2.64Å; K36-S40 PolarHBondContact O-OG 3.16Å; K36-D388 WeakPolarHBondContact CE-OD2 3.14Å; K36-D388 IonicContact NZ-OD2 3.19Å
37A91.1Very high87.8Confident0 Ų025.6 Ų25.60%014%0.14CC..Hα-helixtrans-61.4-49.5174.700000111.4I10 I14 V27 M33 I34 S40 L41I10-A37 HydrophobicContact CD1-CB 3.75Å; I10-A37 HydrophobicContact CG1-CB 4.15Å; I14-A37 HydrophobicContact CG1-CB 4.39Å; V27-A37 HydrophobicContact CG2-CB 3.93Å; M33-A37 WeakPolarHBondContact O-CB 3.36Å; M33-A37 PolarHBondContact O-N 3.45Å; I34-A37 PolarHBondContact O-N 3.26Å; A37-S40 PolarHBondContact O-N 2.98Å; A37-L41 PolarHBondContact O-N 2.77Å
38V91.4Very high86.9Confident1 Ų132.8 Ų32.81%0.00617%0.171CC..Hα-helixtrans-62.7-46.7178.7168.80000111.1I34 Q35 S40 L41 L42 I57 L125 V404 F406I34-V38 HydrophobicContact CG2-CG2 4.37Å; I34-V38 WeakPolarHBondContact O-CB 3.43Å; I34-V38 VanDerWaalsContact O-CG2 3.3Å; I34-V38 WeakPolarHBondContact O-CG2 3.36Å; I34-V38 PolarHBondContact O-N 2.73Å; Q35-V38 PolarHBondContact O-N 2.85Å; V38-S40 PolarHBondContact O-N 3.23Å; V38-L41 PolarHBondContact O-N 3.13Å; V38-L41 VanDerWaalsContact O-N 3.15Å; V38-L42 HydrophobicContact CG1-CD1 3.71Å; V38-L42 HydrophobicContact CG1-CG 4.17Å; V38-L42 WeakPolarHBondContact O-CB 3.3Å; V38-L42 WeakPolarHBondContact O-CG 3.42Å; V38-L42 PolarHBondContact O-N 2.64Å; V38-I57 HydrophobicContact CG2-CD1 3.6Å; V38-L125 HydrophobicContact CB-CD1 4.44Å; V38-L125 HydrophobicContact CB-CD2 4.26Å; V38-L125 HydrophobicContact CG1-CD2 3.89Å; V38-L125 HydrophobicContact CG2-CD1 4.02Å; V38-L125 HydrophobicContact CG2-CD2 4.03Å; V38-V404 HydrophobicContact CG1-CG2 3.68Å; V38-V404 HydrophobicContact CG2-CG1 4.3Å; V38-F406 HydrophobicContact CG2-CE1 4.42Å; V38-F406 HydrophobicContact CG2-CZ 3.93Å
39T90.7Very high86.2Confident11 Ų1134.4 Ų34.47%0.06718%0.181CC..Hα-helixtrans-58.3-41.4177.9-69.40000110.8Q35 S43 Y123Q35-T39 PolarHBondContact NE2-OG1 3.42Å; Q35-T39 VanDerWaalsContact O-CB 3.23Å; Q35-T39 WeakPolarHBondContact O-CB 3.17Å; Q35-T39 PolarHBondContact O-N 2.94Å; Q35-T39 PolarHBondContact O-OG1 3.21Å; T39-S43 WeakPolarHBondContact O-CB 3.44Å; T39-S43 PolarHBondContact O-N 3.19Å; T39-S43 PolarHBondContact O-OG 3.09Å; T39-Y123 HydrophobicContact CG2-CD2 4.02Å; T39-Y123 PolarHBondContact OG1-N 3.15Å
40S89.4Confident85.5Confident2 Ų235.8 Ų35.81%0.01419%0.188CC..Hα-helixtrans-70-36.4178.5-55.30000112.2K11 K36 A37 V38 S43 R44K11-S40 VanDerWaalsContact CA-OG 3.23Å; K11-S40 WeakPolarHBondContact CA-OG 3.32Å; K11-S40 VanDerWaalsContact CB-OG 3.28Å; K11-S40 WeakPolarHBondContact CB-OG 3.34Å; K11-S40 VanDerWaalsContact CG-OG 3.23Å; K11-S40 WeakPolarHBondContact CG-OG 3.17Å; K36-S40 VanDerWaalsContact O-CB 3.3Å; K36-S40 WeakPolarHBondContact O-CB 3.19Å; K36-S40 PolarHBondContact O-N 2.64Å; K36-S40 PolarHBondContact O-OG 3.16Å; A37-S40 PolarHBondContact O-N 2.98Å; V38-S40 PolarHBondContact O-N 3.23Å; S40-S43 WeakPolarHBondContact CA-OG 3.35Å; S40-S43 PolarHBondContact O-OG 2.86Å; S40-R44 WeakPolarHBondContact O-CG 3.4Å
41L90Very high85Confident5 Ų538.1 Ų38.13%0.02620%0.204CC..Hα-helixtrans-65.5-47.9175.4-176.367.9000111.6I14 A37 V38 S43 R44 F47 L52 L55 I57I14-L41 HydrophobicContact CG2-CB 3.87Å; I14-L41 HydrophobicContact CG2-CD1 4.28Å; A37-L41 PolarHBondContact O-N 2.77Å; V38-L41 PolarHBondContact O-N 3.13Å; V38-L41 VanDerWaalsContact O-N 3.15Å; L41-S43 VanDerWaalsContact C-N 3.35Å; L41-R44 WeakPolarHBondContact O-CB 3.44Å; L41-R44 PolarHBondContact O-N 3.13Å; L41-F47 WeakPolarHBondContact O-CD2 3.41Å; L41-L52 HydrophobicContact CD1-CB 4.22Å; L41-L52 HydrophobicContact CD1-CD2 3.66Å; L41-L52 HydrophobicContact CD1-CG 4.43Å; L41-L55 HydrophobicContact CD1-CD2 4.22Å; L41-I57 HydrophobicContact CD2-CD1 3.76Å; L41-I57 HydrophobicContact CD2-CG1 4.3Å
42L89.4Confident84.6Confident16 Ų1638 Ų388%0.08420%0.204CC..Hα-helixtrans-73.4-25.4-176.9-67.3179.3000113.3V38 R44 F47 V99 Y123 A403 V404V38-L42 HydrophobicContact CG1-CD1 3.71Å; V38-L42 HydrophobicContact CG1-CG 4.17Å; V38-L42 WeakPolarHBondContact O-CB 3.3Å; V38-L42 WeakPolarHBondContact O-CG 3.42Å; V38-L42 PolarHBondContact O-N 2.64Å; L42-R44 VanDerWaalsContact C-N 3.3Å; L42-F47 HydrophobicContact CD2-CD2 4.32Å; L42-F47 HydrophobicContact CD2-CE1 4.16Å; L42-F47 HydrophobicContact CD2-CE2 3.57Å; L42-F47 HydrophobicContact CD2-CZ 3.46Å; L42-F47 VanDerWaalsContact CD2-CZ 3.46Å; L42-V99 HydrophobicContact CD1-CG1 4.31Å; L42-Y123 HydrophobicContact CB-CD1 4.42Å; L42-Y123 HydrophobicContact CB-CD2 4.01Å; L42-Y123 HydrophobicContact CB-CE1 4.15Å; L42-Y123 HydrophobicContact CB-CE2 3.69Å; L42-Y123 HydrophobicContact CB-CG 4.37Å; L42-Y123 HydrophobicContact CD1-CD1 3.54Å; L42-Y123 HydrophobicContact CD1-CD2 4.2Å; L42-Y123 HydrophobicContact CD1-CE1 3.9Å; L42-Y123 HydrophobicContact CD1-CE2 4.49Å; L42-Y123 HydrophobicContact CD1-CG 3.72Å; L42-A403 HydrophobicContact CD2-CB 4.33Å; L42-V404 HydrophobicContact CD1-CG2 3.85Å; L42-V404 HydrophobicContact CD2-CG2 4.03Å; L42-V404 HydrophobicContact CG-CG2 4.14Å
43S88.1Confident84.2Confident51 Ų5139.1 Ų39.136%0.35721%0.207SC..THydrogen-bonded Turntrans-83.8-0.6177.6580000114.1T39 S40 L41T39-S43 WeakPolarHBondContact O-CB 3.44Å; T39-S43 PolarHBondContact O-N 3.19Å; T39-S43 PolarHBondContact O-OG 3.09Å; S40-S43 WeakPolarHBondContact CA-OG 3.35Å; S40-S43 PolarHBondContact O-OG 2.86Å; L41-S43 VanDerWaalsContact C-N 3.35Å
44R86.9Confident83.9Confident25 Ų2540.2 Ų40.29%0.09422%0.217CC..  trans-66.8137176.3-78.2171.165.6152.4-2.8111.9I14 L17 S40 L41 L42 D46 F47 L52I14-R44 PolarHBondContact O-NH1 3.12Å; L17-R44 VanDerWaalsContact O-CZ 3.32Å; L17-R44 PolarHBondContact O-NH1 2.93Å; L17-R44 PolarHBondContact O-NH2 3.05Å; S40-R44 WeakPolarHBondContact O-CG 3.4Å; L41-R44 WeakPolarHBondContact O-CB 3.44Å; L41-R44 PolarHBondContact O-N 3.13Å; L42-R44 VanDerWaalsContact C-N 3.3Å; R44-D46 WeakPolarHBondContact CB-OD1 3.43Å; R44-D46 IonicContact CZ-OD1 3.46Å; R44-D46 IonicContact CZ-OD2 3.86Å; R44-D46 IonicContact NE-OD1 2.85Å; R44-D46 PolarHBondContact NE-OD1 3.38Å; R44-D46 IonicContact NE-OD2 3.97Å; R44-D46 IonicContact NH2-OD1 3.23Å; R44-D46 PolarHBondContact NH2-OD1 3.23Å; R44-D46 IonicContact NH2-OD2 2.93Å; R44-D46 PolarHBondContact NH2-OD2 2.74Å; R44-D46 PolarHBondContact O-N 2.9Å; R44-F47 HydrophobicContact CB-CB 4.49Å; R44-F47 WeakPolarHBondContact O-CB 3.47Å; R44-F47 PolarHBondContact O-N 3Å; R44-F47 VanDerWaalsContact O-N 3.15Å; R44-L52 HydrophobicContact CB-CD1 4.32Å
45D82.7Confident83.8Confident166 Ų16640.5 Ų40.589%0.88822%0.219SC*.G310 helixtrans-62.7-33.7178.2-61.5-40.7000112.1F47D45-F47 VanDerWaalsContact C-N 3.3Å; D45-F47 PolarHBondContact O-N 3.15Å
46D82.5Confident83.9Confident45 Ų4540.8 Ų40.824%0.24122%0.221CC..G310 helixtrans-853.7-179.676-44000113.7R44 K48 T49 T50 L52R44-D46 WeakPolarHBondContact CB-OD1 3.43Å; R44-D46 IonicContact CZ-OD1 3.46Å; R44-D46 IonicContact CZ-OD2 3.86Å; R44-D46 IonicContact NE-OD1 2.85Å; R44-D46 PolarHBondContact NE-OD1 3.38Å; R44-D46 IonicContact NE-OD2 3.97Å; R44-D46 IonicContact NH2-OD1 3.23Å; R44-D46 PolarHBondContact NH2-OD1 3.23Å; R44-D46 IonicContact NH2-OD2 2.93Å; R44-D46 PolarHBondContact NH2-OD2 2.74Å; R44-D46 PolarHBondContact O-N 2.9Å; D46-K48 PolarHBondContact O-N 3.27Å; D46-K48 VanDerWaalsContact O-N 3.09Å; D46-T49 WeakPolarHBondContact CA-OG1 3.45Å; D46-T49 PolarHBondContact O-N 3.13Å; D46-T49 PolarHBondContact O-OG1 2.69Å; D46-T50 WeakPolarHBondContact CB-OG1 3.33Å; D46-T50 WeakPolarHBondContact O-CB 3.28Å; D46-T50 PolarHBondContact O-N 3.25Å; D46-T50 PolarHBondContact O-OG1 3.47Å; D46-T50 WeakPolarHBondContact OD2-CB 3.11Å; D46-T50 PolarHBondContact OD2-OG1 3.44Å; D46-L52 WeakPolarHBondContact OD1-CD1 3.38Å
47F79.3Confident84Confident43 Ų4339.9 Ų39.919%0.18922%0.217CC..G310 helixtrans-55.2-31.4179.6-171.1-93.8000113.6L41 L42 R44 D45 L52 W53L41-F47 WeakPolarHBondContact O-CD2 3.41Å; L42-F47 HydrophobicContact CD2-CD2 4.32Å; L42-F47 HydrophobicContact CD2-CE1 4.16Å; L42-F47 HydrophobicContact CD2-CE2 3.57Å; L42-F47 HydrophobicContact CD2-CZ 3.46Å; L42-F47 VanDerWaalsContact CD2-CZ 3.46Å; R44-F47 HydrophobicContact CB-CB 4.49Å; R44-F47 WeakPolarHBondContact O-CB 3.47Å; R44-F47 PolarHBondContact O-N 3Å; R44-F47 VanDerWaalsContact O-N 3.15Å; D45-F47 VanDerWaalsContact C-N 3.3Å; D45-F47 PolarHBondContact O-N 3.15Å; F47-L52 HydrophobicContact CB-CD1 4.38Å; F47-L52 HydrophobicContact CD2-CB 3.66Å; F47-L52 HydrophobicContact CD2-CD1 4.32Å; F47-L52 HydrophobicContact CE2-CB 3.93Å; F47-W53 HydrophobicContact CZ-CB 4.08Å
48K73Confident83.9Confident160 Ų16040 Ų4070%0.69622%0.218SC*.G310 helixtrans-84.8-23.4179.2-64.8-177.5-178.3177.50114.2D46 Q257D46-K48 PolarHBondContact O-N 3.27Å; D46-K48 VanDerWaalsContact O-N 3.09Å; K48-Q257 PolarHBondContact O-NE2 2.89Å; K48-Q257 VanDerWaalsContact O-NE2 3.11Å; K48-Q257 PolarHBondContact O-OE1 3.12Å
49T75Confident83.8Confident113 Ų11340.5 Ų40.569%0.69322%0.222SC*.THydrogen-bonded Turntrans-98.8-32.9-174.950.40000111.8D46D46-T49 WeakPolarHBondContact CA-OG1 3.45Å; D46-T49 PolarHBondContact O-N 3.13Å; D46-T49 PolarHBondContact O-OG1 2.69Å
50T72.2Confident83.7Confident33 Ų3340.9 Ų40.920%0.20222%0.224CC..SBendtrans-103.1143.1-176.8-450000108.6P19 D46 L52P19-T50 HydrophobicContact CB-CG2 4.41Å; P19-T50 HydrophobicContact CG-CG2 3.15Å; D46-T50 WeakPolarHBondContact CB-OG1 3.33Å; D46-T50 WeakPolarHBondContact O-CB 3.28Å; D46-T50 PolarHBondContact O-N 3.25Å; D46-T50 PolarHBondContact O-OG1 3.47Å; D46-T50 WeakPolarHBondContact OD2-CB 3.11Å; D46-T50 PolarHBondContact OD2-OG1 3.44Å; T50-L52 HydrophobicContact CG2-CG 4.3Å; T50-L52 PolarHBondContact O-N 2.99Å
51P73.3Confident83.5Confident61 Ų6140.9 Ų40.940%0.39623%0.225SC..  trans-73.245.9-178.631.8-38.2000113.4W53 S54P51-W53 HydrophobicContact CB-CZ2 4.05Å; P51-W53 PolarHBondContact O-N 2.97Å; P51-S54 WeakPolarHBondContact O-CB 3.36Å; P51-S54 PolarHBondContact O-N 2.68Å; P51-S54 PolarHBondContact O-OG 2.98Å
52L78.6Confident83.2Confident1 Ų144.9 Ų44.91%0.00525%0.249CC..G310 helixtrans-62.6-26.8178.3-73.5161.2000112P19 L41 R44 D46 F47 T50 S54 L55P19-L52 HydrophobicContact CB-CD2 3.74Å; P19-L52 HydrophobicContact CB-CG 4.42Å; P19-L52 HydrophobicContact CG-CD2 3.67Å; P19-L52 HydrophobicContact CG-CG 4.09Å; L41-L52 HydrophobicContact CD1-CB 4.22Å; L41-L52 HydrophobicContact CD1-CD2 3.66Å; L41-L52 HydrophobicContact CD1-CG 4.43Å; R44-L52 HydrophobicContact CB-CD1 4.32Å; D46-L52 WeakPolarHBondContact OD1-CD1 3.38Å; F47-L52 HydrophobicContact CB-CD1 4.38Å; F47-L52 HydrophobicContact CD2-CB 3.66Å; F47-L52 HydrophobicContact CD2-CD1 4.32Å; F47-L52 HydrophobicContact CE2-CB 3.93Å; T50-L52 HydrophobicContact CG2-CG 4.3Å; T50-L52 PolarHBondContact O-N 2.99Å; L52-S54 PolarHBondContact O-N 3.26Å; L52-L55 WeakPolarHBondContact O-CB 3.35Å; L52-L55 PolarHBondContact O-N 2.83Å; L52-L55 VanDerWaalsContact O-N 3.15Å
53W76.7Confident82.5Confident35 Ų3545.3 Ų45.313%0.13326%0.257CS..G310 helixtrans-61.6-20.2171.157.3-98.2000113.5F47 P51 V258F47-W53 HydrophobicContact CZ-CB 4.08Å; P51-W53 HydrophobicContact CB-CZ2 4.05Å; P51-W53 PolarHBondContact O-N 2.97Å; W53-V258 HydrophobicContact CH2-CB 4.23Å; W53-V258 HydrophobicContact CH2-CG2 3.29Å; W53-V258 HydrophobicContact CZ2-CG2 3.93Å; W53-V258 HydrophobicContact CZ3-CG2 4.04Å
54S81.3Confident81.8Confident53 Ų5346.6 Ų46.637%0.37126%0.259SS..G310 helixtrans-87.9-20.8177.473.30000113.1P51 L52 P56P51-S54 WeakPolarHBondContact O-CB 3.36Å; P51-S54 PolarHBondContact O-N 2.68Å; P51-S54 PolarHBondContact O-OG 2.98Å; L52-S54 PolarHBondContact O-N 3.26Å; S54-P56 WeakPolarHBondContact O-CD 3.23Å
55L88.7Confident81.3Confident6 Ų646.1 Ų46.13%0.03126%0.258CS..SBendtrans-69.1111.5-177.1-176.169.8000109.9L17 T22 V25 L41 L52L17-L55 HydrophobicContact CD2-CD2 3.44Å; L17-L55 VanDerWaalsContact CD2-CD2 3.44Å; T22-L55 HydrophobicContact CG2-CD1 4.12Å; T22-L55 WeakPolarHBondContact O-CD1 3.37Å; V25-L55 HydrophobicContact CG2-CD2 3.91Å; V25-L55 HydrophobicContact CG2-CG 4.38Å; L41-L55 HydrophobicContact CD1-CD2 4.22Å; L52-L55 WeakPolarHBondContact O-CB 3.35Å; L52-L55 PolarHBondContact O-N 2.83Å; L52-L55 VanDerWaalsContact O-N 3.15Å
56P91.4Very high81.4Confident8 Ų839 Ų395%0.05222%0.219CC..EExtended strand (participates in β ladder)trans-75.2137.4-178.731.2-35000111.7D23 G24 V25 S54 T94 N405 F407D23-P56 VanDerWaalsContact O-CD 3.24Å; D23-P56 WeakPolarHBondContact O-CD 3.09Å; D23-P56 WeakPolarHBondContact O-CG 3.24Å; G24-P56 WeakPolarHBondContact CA-O 3.26Å; V25-P56 PolarHBondContact N-O 3.22Å; S54-P56 WeakPolarHBondContact O-CD 3.23Å; P56-T94 HydrophobicContact CB-CG2 3.67Å; P56-T94 HydrophobicContact CG-CG2 4.28Å; P56-N405 CarbonylContact C-O 3.48Å; P56-N405 WeakPolarHBondContact CA-O 3.25Å; P56-F407 HydrophobicContact CB-CD1 4.13Å; P56-F407 HydrophobicContact CB-CD2 3.92Å; P56-F407 HydrophobicContact CB-CE1 3.86Å; P56-F407 HydrophobicContact CB-CE2 3.64Å; P56-F407 HydrophobicContact CB-CG 4.17Å; P56-F407 HydrophobicContact CB-CZ 3.63Å; P56-F407 HydrophobicContact CG-CD1 4.42Å; P56-F407 HydrophobicContact CG-CD2 4.35Å; P56-F407 HydrophobicContact CG-CE1 3.65Å; P56-F407 HydrophobicContact CG-CE2 3.59Å; P56-F407 HydrophobicContact CG-CZ 3.19Å
57I91.7Very high81.4Confident3 Ų337.5 Ų37.52%0.01522%0.215CC..EExtended strand (participates in β ladder)trans-102.7125.8170.6-56.8179.6000108.8V25 V27 V38 L41 V404 N405 F406 F407V25-I57 CarbonylContact O-C 3.5Å; V25-I57 WeakPolarHBondContact O-CA 3.39Å; V27-I57 HydrophobicContact CG2-CG2 4.21Å; V38-I57 HydrophobicContact CG2-CD1 3.6Å; L41-I57 HydrophobicContact CD2-CD1 3.76Å; L41-I57 HydrophobicContact CD2-CG1 4.3Å; I57-V404 HydrophobicContact CD1-CG1 3.99Å; I57-V404 HydrophobicContact CG1-CG1 4.44Å; I57-N405 PolarHBondContact N-O 2.78Å; I57-F406 HydrophobicContact CB-CD1 4.19Å; I57-F406 HydrophobicContact CB-CE1 4.17Å; I57-F406 HydrophobicContact CG2-CD1 4.46Å; I57-F406 HydrophobicContact CG2-CE1 4.18Å; I57-F406 CarbonylContact O-C 3.43Å; I57-F406 WeakPolarHBondContact O-CA 3.35Å; I57-F406 WeakPolarHBondContact O-CD1 3.4Å; I57-F407 PolarHBondContact O-N 3.15Å
58G89.9Confident81.7Confident1 Ų135.6 Ų35.61%0.0121%0.207CC..EExtended strand (participates in β ladder)trans-108.6159.1172.800000109.6V25 V27V25-G58 PolarHBondContact O-N 3.09Å; V27-G58 PolarHBondContact N-O 2.84Å
59A88.3Confident82.2Confident12 Ų1228.2 Ų28.210%0.09918%0.175CC..EExtended strand (participates in β ladder)trans-135.9137.9176.400000111.4V27 I34 I69 V85V27-A59 CarbonylContact O-C 3.58Å; V27-A59 VanDerWaalsContact O-CA 3.23Å; V27-A59 WeakPolarHBondContact O-CA 3Å; I34-A59 HydrophobicContact CD1-CB 3.37Å; I34-A59 HydrophobicContact CG1-CB 3.88Å; A59-I69 HydrophobicContact CB-CD1 3.58Å; A59-I69 HydrophobicContact CB-CG1 3.96Å; A59-V85 WeakPolarHBondContact O-CG1 3.45Å
60V88.8Confident82.6Confident19 Ų1924.7 Ų24.712%0.11515%0.152CC..EExtended strand (participates in β ladder)trans-110112.9172.1-173.40000107.4L26 V27 V28 G29 V62 F82 L86L26-V60 HydrophobicContact CD1-CG2 3.79Å; L26-V60 HydrophobicContact CD2-CG2 3.97Å; L26-V60 HydrophobicContact CG-CG2 3.9Å; V27-V60 PolarHBondContact O-N 3.04Å; V28-V60 HydrophobicContact CB-CB 4.31Å; V28-V60 HydrophobicContact CG1-CB 4.16Å; V28-V60 HydrophobicContact CG1-CG1 4.44Å; V28-V60 HydrophobicContact CG2-CB 3.99Å; V28-V60 HydrophobicContact CG2-CG2 3.94Å; G29-V60 PolarHBondContact N-O 3.03Å; G29-V60 VanDerWaalsContact N-O 3.12Å; V60-V62 VanDerWaalsContact C-N 3.31Å; V60-V62 HydrophobicContact CG1-CG1 4.09Å; V60-V62 PolarHBondContact O-N 3.01Å; V60-F82 HydrophobicContact CG1-CD1 4.34Å; V60-F82 HydrophobicContact CG1-CE1 4.2Å; V60-L86 HydrophobicContact CG2-CD2 3.9Å
61P84.9Confident83.1Confident3 Ų326 Ų262%0.01916%0.162CC..EExtended strand (participates in β ladder)trans-7773.6-169.827.9-31.3000112.1N66 I69 W81 F82P61-N66 WeakPolarHBondContact CA-OD1 3.17Å; P61-N66 HydrophobicContact CB-CB 3.78Å; P61-N66 WeakPolarHBondContact CB-OD1 3.22Å; P61-I69 HydrophobicContact CB-CD1 3.46Å; P61-I69 VanDerWaalsContact CB-CD1 3.46Å; P61-I69 HydrophobicContact CB-CG2 4.45Å; P61-I69 HydrophobicContact CG-CD1 3.98Å; P61-I69 HydrophobicContact CG-CG2 4.24Å; P61-W81 HydrophobicContact CB-CH2 3.28Å; P61-W81 HydrophobicContact CB-CZ2 4.03Å; P61-W81 HydrophobicContact CB-CZ3 3.69Å; P61-W81 HydrophobicContact CG-CE3 4.1Å; P61-W81 HydrophobicContact CG-CH2 3.39Å; P61-W81 HydrophobicContact CG-CZ2 3.92Å; P61-W81 HydrophobicContact CG-CZ3 3.46Å; P61-W81 VanDerWaalsContact CG-CZ3 3.46Å; P61-F82 HydrophobicContact CG-CD1 4.04Å; P61-F82 HydrophobicContact CG-CE1 3.7Å; P61-F82 HydrophobicContact CG-CZ 4.35Å; P61-F82 WeakPolarHBondContact O-CE1 3.28Å; P61-F82 VanDerWaalsContact O-CZ 3.24Å; P61-F82 WeakPolarHBondContact O-CZ 3.34Å
62V83.6Confident83.4Confident89 Ų8925.1 Ų25.154%0.53915%0.153SC..  trans-91.4-10.9176.4-62.10000112.8V28 G29 V60V28-V62 HydrophobicContact CG1-CB 4.32Å; V28-V62 HydrophobicContact CG1-CG1 3.75Å; V28-V62 HydrophobicContact CG1-CG2 3.57Å; G29-V62 PolarHBondContact O-N 2.8Å; V60-V62 VanDerWaalsContact C-N 3.31Å; V60-V62 HydrophobicContact CG1-CG1 4.09Å; V60-V62 PolarHBondContact O-N 3.01Å
63G76.5Confident83.4Confident25 Ų2526.2 Ų26.226%0.25816%0.161SC..SBendtrans-84.3177.7-176.800000114.9G29 N66G29-G63 PolarHBondContact O-N 2.91Å; G63-N66 PolarHBondContact O-ND2 2.62Å
64I73.3Confident83.4Confident78 Ų7832.5 Ų32.540%0.419%0.191SC..SBendtrans-75.1-38.1176.3-60.5172.9000110.3N155 V160I64-N155 HydrophobicContact CD1-CB 4.24Å; I64-N155 WeakPolarHBondContact CD1-O 3.23Å; I64-V160 HydrophobicContact CD1-CG2 4.44Å; I64-V160 HydrophobicContact CG2-CG2 4.1Å
65W76.2Confident82.8Confident15 Ų1536.3 Ų36.36%0.05720%0.201CC..  trans-103.7102.2-178.2-63.4106.9000110.6D30 D31 P154 R158 G159 P356 N387D30-W65 CarbonylContact C-O 3.27Å; D30-W65 VanDerWaalsContact CA-O 3.29Å; D30-W65 WeakPolarHBondContact CA-O 3.09Å; D30-W65 HydrophobicContact CB-CB 4.27Å; D30-W65 WeakPolarHBondContact CB-O 3.5Å; D31-W65 PolarHBondContact N-O 3.23Å; W65-P154 PolarHBondContact NE1-O 3.29Å; W65-P154 VanDerWaalsContact NE1-O 3.08Å; W65-R158 VanDerWaalsContact CH2-C 3.49Å; W65-R158 HydrophobicContact CH2-CB 3.42Å; W65-R158 VanDerWaalsContact CH2-CB 3.42Å; W65-R158 HydrophobicContact CH2-CG 3.54Å; W65-R158 HydrophobicContact CZ2-CB 3.71Å; W65-R158 HydrophobicContact CZ2-CG 4.34Å; W65-R158 HydrophobicContact CZ3-CG 4.41Å; W65-G159 VanDerWaalsContact CZ2-CA 3.49Å; W65-P356 HydrophobicContact CZ3-CG 4.21Å; W65-N387 HydrophobicContact CG-CB 4.47Å
66N83.6Confident82.1Confident15 Ų1538.4 Ų38.48%0.0821%0.214CC..  trans-121.333.4176.9-56.9-54.1000111G29 D31 P61 G63 L68 I69 N70 W81G29-N66 PolarHBondContact O-OD1 3.08Å; D31-N66 WeakPolarHBondContact OD1-CA 3.28Å; P61-N66 WeakPolarHBondContact CA-OD1 3.17Å; P61-N66 HydrophobicContact CB-CB 3.78Å; P61-N66 WeakPolarHBondContact CB-OD1 3.22Å; G63-N66 PolarHBondContact O-ND2 2.62Å; N66-L68 PolarHBondContact O-N 2.79Å; N66-I69 PolarHBondContact O-N 3.17Å; N66-N70 WeakPolarHBondContact O-CB 3.3Å; N66-N70 PolarHBondContact O-N 3.25Å; N66-N70 PolarHBondContact O-ND2 2.71Å; N66-W81 HydrophobicContact CB-CH2 3.93Å; N66-W81 HydrophobicContact CB-CZ2 4.46Å
67G82.1Confident81.6Confident14 Ų1443.5 Ų43.514%0.14425%0.245CC..Hα-helixtrans-54-36.2-17900000112.3D31 N70 S71D31-G67 VanDerWaalsContact CG-N 3.3Å; D31-G67 PolarHBondContact OD1-N 3.11Å; D31-G67 VanDerWaalsContact OD1-N 3.07Å; D31-G67 WeakPolarHBondContact OD2-CA 3.47Å; D31-G67 PolarHBondContact OD2-N 3.3Å; G67-N70 PolarHBondContact O-N 2.89Å; G67-S71 PolarHBondContact O-N 3.13Å
68L85.8Confident80.9Confident4 Ų447.8 Ų47.82%0.02127%0.271CS..Hα-helixtrans-61.3-56.6176.8-175.467.3000110.4D31 I34 N66 N70 S71 M72 L125 L126 F406D31-L68 WeakPolarHBondContact OD1-CB 3.46Å; D31-L68 PolarHBondContact OD1-N 3.48Å; I34-L68 HydrophobicContact CB-CD2 4.2Å; I34-L68 HydrophobicContact CD1-CD2 3.99Å; I34-L68 HydrophobicContact CG2-CD2 3.59Å; N66-L68 PolarHBondContact O-N 2.79Å; L68-N70 VanDerWaalsContact C-N 3.26Å; L68-N70 PolarHBondContact O-N 3.43Å; L68-S71 WeakPolarHBondContact O-CB 3.12Å; L68-S71 PolarHBondContact O-N 3.49Å; L68-S71 PolarHBondContact O-OG 3.49Å; L68-M72 HydrophobicContact CD1-CE 3.26Å; L68-M72 HydrophobicContact CD1-SD 4.29Å; L68-M72 HydrophobicContact CD2-CE 3.87Å; L68-M72 HydrophobicContact CD2-SD 4.49Å; L68-M72 HydrophobicContact CG-CE 3.33Å; L68-M72 HydrophobicContact CG-SD 3.82Å; L68-M72 WeakPolarHBondContact O-CG 3.23Å; L68-M72 PolarHBondContact O-N 3.12Å; L68-M72 VanDerWaalsContact O-SD 3.4Å; L68-L125 HydrophobicContact CD1-CB 3.67Å; L68-L125 HydrophobicContact CD1-CD1 4.35Å; L68-L125 HydrophobicContact CD2-CB 4.46Å; L68-L125 HydrophobicContact CD2-CD1 3.58Å; L68-L126 HydrophobicContact CB-CD1 4.47Å; L68-L126 HydrophobicContact CB-CD2 4.46Å; L68-L126 HydrophobicContact CB-CG 4.39Å; L68-L126 HydrophobicContact CD1-CD2 4.12Å; L68-L126 HydrophobicContact CD1-CG 4.24Å; L68-F406 HydrophobicContact CD2-CE1 4.28Å; L68-F406 HydrophobicContact CD2-CZ 4.47Å
69I85.1Confident80.6Confident5 Ų552.4 Ų52.43%0.02630%0.301CS..Hα-helixtrans-65.2-33.8-178.7-62.7159.9000110.7I34 A59 P61 N66 S71 M72 C73 W81 V85I34-I69 HydrophobicContact CD1-CD1 4.25Å; A59-I69 HydrophobicContact CB-CD1 3.58Å; A59-I69 HydrophobicContact CB-CG1 3.96Å; P61-I69 HydrophobicContact CB-CD1 3.46Å; P61-I69 VanDerWaalsContact CB-CD1 3.46Å; P61-I69 HydrophobicContact CB-CG2 4.45Å; P61-I69 HydrophobicContact CG-CD1 3.98Å; P61-I69 HydrophobicContact CG-CG2 4.24Å; N66-I69 PolarHBondContact O-N 3.17Å; I69-S71 VanDerWaalsContact C-N 3.27Å; I69-S71 PolarHBondContact O-N 3.5Å; I69-M72 WeakPolarHBondContact O-CB 3.3Å; I69-M72 PolarHBondContact O-N 3.14Å; I69-C73 PolarHBondContact O-N 3.15Å; I69-W81 HydrophobicContact CB-CZ2 4.33Å; I69-W81 HydrophobicContact CG2-CZ2 3.74Å; I69-V85 HydrophobicContact CG2-CG1 4.34Å; I69-V85 HydrophobicContact CG2-CG2 3.55Å
70N83.6Confident80.4Confident39 Ų3957.8 Ų57.821%0.20932%0.322CS..Hα-helixtrans-66.1-28.5174.1-64.8-35.7000113.3N66 G67 L68 M72 K75 W81N66-N70 WeakPolarHBondContact O-CB 3.3Å; N66-N70 PolarHBondContact O-N 3.25Å; N66-N70 PolarHBondContact O-ND2 2.71Å; G67-N70 PolarHBondContact O-N 2.89Å; L68-N70 VanDerWaalsContact C-N 3.26Å; L68-N70 PolarHBondContact O-N 3.43Å; N70-M72 PolarHBondContact O-N 2.77Å; N70-K75 WeakPolarHBondContact ND2-CE 3.48Å; N70-K75 PolarHBondContact ND2-NZ 3.39Å; N70-K75 WeakPolarHBondContact OD1-CE 3.48Å; N70-K75 WeakPolarHBondContact OD1-CG 3.4Å; N70-W81 WeakPolarHBondContact OD1-CZ2 3.27Å
71S81.5Confident80.1Confident60 Ų6058 Ų5842%0.4232%0.321SS..THydrogen-bonded Turntrans-76.3-10.7172.1840000113.1G67 L68 I69 R97G67-S71 PolarHBondContact O-N 3.13Å; L68-S71 WeakPolarHBondContact O-CB 3.12Å; L68-S71 PolarHBondContact O-N 3.49Å; L68-S71 PolarHBondContact O-OG 3.49Å; I69-S71 VanDerWaalsContact C-N 3.27Å; I69-S71 PolarHBondContact O-N 3.5Å; S71-R97 PolarHBondContact O-NH2 3.08Å; S71-R97 PolarHBondContact OG-NH1 3.44Å
72M80.6Confident80.2Confident43 Ų4360.7 Ų60.721%0.21233%0.332CS..THydrogen-bonded Turntrans-108.8-46.2-172.3-62.5166.1165.600111.2L68 I69 N70 R97 F406 M408L68-M72 HydrophobicContact CD1-CE 3.26Å; L68-M72 HydrophobicContact CD1-SD 4.29Å; L68-M72 HydrophobicContact CD2-CE 3.87Å; L68-M72 HydrophobicContact CD2-SD 4.49Å; L68-M72 HydrophobicContact CG-CE 3.33Å; L68-M72 HydrophobicContact CG-SD 3.82Å; L68-M72 WeakPolarHBondContact O-CG 3.23Å; L68-M72 PolarHBondContact O-N 3.12Å; L68-M72 VanDerWaalsContact O-SD 3.4Å; I69-M72 WeakPolarHBondContact O-CB 3.3Å; I69-M72 PolarHBondContact O-N 3.14Å; N70-M72 PolarHBondContact O-N 2.77Å; M72-R97 VanDerWaalsContact CG-CZ 3.48Å; M72-F406 HydrophobicContact CE-CD1 4.32Å; M72-F406 HydrophobicContact CE-CD2 4.38Å; M72-F406 HydrophobicContact CE-CE1 4.45Å; M72-F406 HydrophobicContact CE-CE2 4.48Å; M72-F406 HydrophobicContact CE-CG 4.3Å; M72-M408 HydrophobicContact CB-CE 3.81Å; M72-M408 HydrophobicContact CB-SD 4.44Å; M72-M408 HydrophobicContact CE-CE 3.22Å; M72-M408 HydrophobicContact CG-CE 3.21Å; M72-M408 HydrophobicContact CG-SD 4.28Å; M72-M408 HydrophobicContact SD-CE 3.12Å; M72-M408 WeakPolarHBondContact SD-CE 3.37Å
73C78.2Confident80.4Confident24 Ų2463 Ų6316%0.16233%0.332CS..SBendtrans-119.1125.8-178.3-59.70000108.9I69 K75 V85I69-C73 PolarHBondContact O-N 3.15Å; C73-K75 PolarHBondContact O-N 2.92Å; C73-V85 HydrophobicContact CB-CG2 4.08Å
74E75.7Confident80.9Confident167 Ų16764.1 Ų64.178%0.7833%0.332SS*.  trans-56.9129.5175.2-170.8175.4-170.500110.2T76E74-T76 PolarHBondContact O-N 2.88Å; E74-T76 VanDerWaalsContact O-N 3.07Å
75K70.2Confident81.5Confident133 Ų13360.9 Ų60.958%0.57832%0.317SS*.  trans-63.1114176.9-79-168179.9-176.50109.2N70 C73N70-K75 WeakPolarHBondContact ND2-CE 3.48Å; N70-K75 PolarHBondContact ND2-NZ 3.39Å; N70-K75 WeakPolarHBondContact OD1-CE 3.48Å; N70-K75 WeakPolarHBondContact OD1-CG 3.4Å; C73-K75 PolarHBondContact O-N 2.92Å
76T73.8Confident82.2Confident50 Ų5063.2 Ų63.231%0.30733%0.33SS..  trans-110.8-173.7168.958.90000109.6E74 V78 W81E74-T76 PolarHBondContact O-N 2.88Å; E74-T76 VanDerWaalsContact O-N 3.07Å; T76-V78 PolarHBondContact O-N 3.05Å; T76-W81 WeakPolarHBondContact OG1-CA 3.31Å; T76-W81 PolarHBondContact OG1-N 3.23Å; T76-W81 VanDerWaalsContact OG1-N 3.13Å
77V80.2Confident82.5Confident115 Ų11565.2 Ų65.270%0.69734%0.338SS*.SBendtrans-54.2135.2172.6-168.80000109.3P79 K80 W81V77-P79 VanDerWaalsContact C-CD 3.48Å; V77-P79 VanDerWaalsContact O-N 3.07Å; V77-K80 WeakPolarHBondContact O-CA 3.34Å; V77-K80 WeakPolarHBondContact O-CB 3.16Å; V77-K80 PolarHBondContact O-N 2.8Å; V77-W81 PolarHBondContact O-N 3.35Å
78V78Confident82.7Confident92 Ų9265 Ų6556%0.55834%0.335SS*.Hα-helixtrans-43.5-49-165.9178.70000114.5T76 K80 W81 F82T76-V78 PolarHBondContact O-N 3.05Å; V78-K80 PolarHBondContact O-N 2.85Å; V78-W81 PolarHBondContact O-N 3.09Å; V78-F82 HydrophobicContact CG1-CD2 3.72Å; V78-F82 HydrophobicContact CG1-CE2 3.58Å; V78-F82 VanDerWaalsContact O-CD2 3.31Å; V78-F82 WeakPolarHBondContact O-CD2 3.48Å; V78-F82 PolarHBondContact O-N 2.86Å
79P82.9Confident82.8Confident99 Ų9966.5 Ų66.564%0.64334%0.344SS*.Hα-helixtrans-64.4-39.1179.9-21.234.6000113.3V77 W81 Y83V77-P79 VanDerWaalsContact C-CD 3.48Å; V77-P79 VanDerWaalsContact O-N 3.07Å; P79-W81 VanDerWaalsContact C-N 3.33Å; P79-Y83 WeakPolarHBondContact O-CB 2.99Å; P79-Y83 PolarHBondContact O-N 3.36Å
80K84.6Confident83Confident125 Ų12573.1 Ų73.154%0.54338%0.379SS..Hα-helixtrans-69.4-35.4177.1-172.7173.5-176.8177.50111.1V77 V78 Y83 N84V77-K80 WeakPolarHBondContact O-CA 3.34Å; V77-K80 WeakPolarHBondContact O-CB 3.16Å; V77-K80 PolarHBondContact O-N 2.8Å; V78-K80 PolarHBondContact O-N 2.85Å; K80-Y83 PolarHBondContact O-N 2.99Å; K80-N84 WeakPolarHBondContact O-CB 3.08Å; K80-N84 PolarHBondContact O-N 2.96Å; K80-N84 PolarHBondContact O-OD1 2.9Å
81W82.7Confident83.3Confident22 Ų2277.1 Ų77.18%0.08340%0.396CS..Hα-helixtrans-64.7-47.5176.3-177.761.6000111.6P61 N66 I69 N70 T76 V77 V78 P79 Y83 N84 V85P61-W81 HydrophobicContact CB-CH2 3.28Å; P61-W81 HydrophobicContact CB-CZ2 4.03Å; P61-W81 HydrophobicContact CB-CZ3 3.69Å; P61-W81 HydrophobicContact CG-CE3 4.1Å; P61-W81 HydrophobicContact CG-CH2 3.39Å; P61-W81 HydrophobicContact CG-CZ2 3.92Å; P61-W81 HydrophobicContact CG-CZ3 3.46Å; P61-W81 VanDerWaalsContact CG-CZ3 3.46Å; N66-W81 HydrophobicContact CB-CH2 3.93Å; N66-W81 HydrophobicContact CB-CZ2 4.46Å; I69-W81 HydrophobicContact CB-CZ2 4.33Å; I69-W81 HydrophobicContact CG2-CZ2 3.74Å; N70-W81 WeakPolarHBondContact OD1-CZ2 3.27Å; T76-W81 WeakPolarHBondContact OG1-CA 3.31Å; T76-W81 PolarHBondContact OG1-N 3.23Å; T76-W81 VanDerWaalsContact OG1-N 3.13Å; V77-W81 PolarHBondContact O-N 3.35Å; V78-W81 PolarHBondContact O-N 3.09Å; P79-W81 VanDerWaalsContact C-N 3.33Å; W81-Y83 VanDerWaalsContact C-N 3.34Å; W81-Y83 PolarHBondContact O-N 2.99Å; W81-N84 PolarHBondContact O-N 3.32Å; W81-V85 WeakPolarHBondContact O-CG2 3.29Å; W81-V85 PolarHBondContact O-N 3.26Å; W81-V85 VanDerWaalsContact O-N 3.14Å
82F85.9Confident83.5Confident60 Ų6079.5 Ų79.526%0.26340%0.404SS..Hα-helixtrans-59-44.2172.4-84.1-71.3000112.6V60 P61 V78 N84 V85 L86V60-F82 HydrophobicContact CG1-CD1 4.34Å; V60-F82 HydrophobicContact CG1-CE1 4.2Å; P61-F82 HydrophobicContact CG-CD1 4.04Å; P61-F82 HydrophobicContact CG-CE1 3.7Å; P61-F82 HydrophobicContact CG-CZ 4.35Å; P61-F82 WeakPolarHBondContact O-CE1 3.28Å; P61-F82 VanDerWaalsContact O-CZ 3.24Å; P61-F82 WeakPolarHBondContact O-CZ 3.34Å; V78-F82 HydrophobicContact CG1-CD2 3.72Å; V78-F82 HydrophobicContact CG1-CE2 3.58Å; V78-F82 VanDerWaalsContact O-CD2 3.31Å; V78-F82 WeakPolarHBondContact O-CD2 3.48Å; V78-F82 PolarHBondContact O-N 2.86Å; F82-N84 PolarHBondContact O-N 3.41Å; F82-V85 PolarHBondContact O-N 3.28Å; F82-L86 WeakPolarHBondContact O-CG 3.09Å; F82-L86 PolarHBondContact O-N 2.96Å
83Y87.6Confident83.9Confident138 Ų13881.4 Ų81.454%0.54142%0.415SS..Hα-helixtrans-58.9-47.9177.4176.1-95.6000111.8P79 K80 W81 V85 L86 Q87P79-Y83 WeakPolarHBondContact O-CB 2.99Å; P79-Y83 PolarHBondContact O-N 3.36Å; K80-Y83 PolarHBondContact O-N 2.99Å; W81-Y83 VanDerWaalsContact C-N 3.34Å; W81-Y83 PolarHBondContact O-N 2.99Å; Y83-V85 VanDerWaalsContact C-N 3.33Å; Y83-V85 PolarHBondContact O-N 2.92Å; Y83-L86 PolarHBondContact O-N 2.96Å; Y83-Q87 HydrophobicContact CE1-CB 4.44Å; Y83-Q87 VanDerWaalsContact O-CB 3.29Å; Y83-Q87 WeakPolarHBondContact O-CB 3.22Å; Y83-Q87 PolarHBondContact O-N 3.45Å
84N87.2Confident84.5Confident48 Ų4882.7 Ų82.726%0.25742%0.423SS..Hα-helixtrans-60.6-41.9-180-69.9-7.1000111.9K80 W81 F82 Q87K80-N84 WeakPolarHBondContact O-CB 3.08Å; K80-N84 PolarHBondContact O-N 2.96Å; K80-N84 PolarHBondContact O-OD1 2.9Å; W81-N84 PolarHBondContact O-N 3.32Å; F82-N84 PolarHBondContact O-N 3.41Å; N84-Q87 PolarHBondContact O-N 2.9Å
85V87.1Confident85Confident11 Ų1180.8 Ų80.87%0.06741%0.412CS..Hα-helixtrans-64-44.3178.1174.20000111A59 I69 C73 W81 F82 Y83A59-V85 WeakPolarHBondContact O-CG1 3.45Å; I69-V85 HydrophobicContact CG2-CG1 4.34Å; I69-V85 HydrophobicContact CG2-CG2 3.55Å; C73-V85 HydrophobicContact CB-CG2 4.08Å; W81-V85 WeakPolarHBondContact O-CG2 3.29Å; W81-V85 PolarHBondContact O-N 3.26Å; W81-V85 VanDerWaalsContact O-N 3.14Å; F82-V85 PolarHBondContact O-N 3.28Å; Y83-V85 VanDerWaalsContact C-N 3.33Å; Y83-V85 PolarHBondContact O-N 2.92Å
86L89.7Confident85.9Confident64 Ų6477.9 Ų77.934%0.33540%0.397SS..Hα-helixtrans-72.5-29.3178.4-70.4175.1000112.7V60 F82 Y83 S88 V89 L90V60-L86 HydrophobicContact CG2-CD2 3.9Å; F82-L86 WeakPolarHBondContact O-CG 3.09Å; F82-L86 PolarHBondContact O-N 2.96Å; Y83-L86 PolarHBondContact O-N 2.96Å; L86-S88 VanDerWaalsContact C-N 3.26Å; L86-S88 PolarHBondContact O-N 3.27Å; L86-V89 WeakPolarHBondContact O-CB 3.33Å; L86-V89 PolarHBondContact O-N 2.82Å; L86-V89 VanDerWaalsContact O-N 3.09Å; L86-L90 WeakPolarHBondContact O-CG 3.09Å; L86-L90 PolarHBondContact O-N 3.3Å
87Q89.7Confident86.6Confident56 Ų5678.8 Ų78.826%0.26240%0.395SS..Hα-helixtrans-58.8-40.7178.3-177.3177.8-9.700111.2Y83 N84 V89 L90 Q91Y83-Q87 HydrophobicContact CE1-CB 4.44Å; Y83-Q87 VanDerWaalsContact O-CB 3.29Å; Y83-Q87 WeakPolarHBondContact O-CB 3.22Å; Y83-Q87 PolarHBondContact O-N 3.45Å; N84-Q87 PolarHBondContact O-N 2.9Å; Q87-V89 VanDerWaalsContact C-N 3.3Å; Q87-V89 PolarHBondContact O-N 2.9Å; Q87-L90 PolarHBondContact O-N 2.83Å; Q87-Q91 HydrophobicContact CG-CG 4.21Å; Q87-Q91 WeakPolarHBondContact O-CB 3.32Å; Q87-Q91 VanDerWaalsContact O-CG 3.28Å; Q87-Q91 WeakPolarHBondContact O-CG 3.29Å; Q87-Q91 PolarHBondContact O-N 2.96Å
88S86.2Confident87.1Confident10 Ų1074.5 Ų74.57%0.0737%0.368CS..Hα-helixtrans-61.3-38.5175.8-56.10000112.7L86 N92 N93 M408L86-S88 VanDerWaalsContact C-N 3.26Å; L86-S88 PolarHBondContact O-N 3.27Å; S88-N92 PolarHBondContact O-N 3.42Å; S88-N93 PolarHBondContact O-N 3.49Å; S88-M408 VanDerWaalsContact CB-CA 3.49Å; S88-M408 VanDerWaalsContact CB-OXT 3.24Å; S88-M408 WeakPolarHBondContact CB-OXT 3.38Å; S88-M408 PolarHBondContact OG-OXT 3.22Å
89V88.2Confident87.8Confident35 Ų3570.1 Ų70.121%0.21234%0.342CS..Hα-helixtrans-66.3-47.5174.1-176.50000110.5L26 L86 Q87 Q91 N92 F407L26-V89 HydrophobicContact CD1-CG2 4.05Å; L86-V89 WeakPolarHBondContact O-CB 3.33Å; L86-V89 PolarHBondContact O-N 2.82Å; L86-V89 VanDerWaalsContact O-N 3.09Å; Q87-V89 VanDerWaalsContact C-N 3.3Å; Q87-V89 PolarHBondContact O-N 2.9Å; V89-Q91 VanDerWaalsContact C-N 3.3Å; V89-Q91 PolarHBondContact O-N 3.45Å; V89-N92 PolarHBondContact O-N 2.86Å; V89-N92 VanDerWaalsContact O-N 3.12Å; V89-F407 HydrophobicContact CB-CB 4.41Å; V89-F407 HydrophobicContact CB-CG 4.33Å; V89-F407 HydrophobicContact CG1-CD2 4.36Å; V89-F407 HydrophobicContact CG1-CE2 4.45Å; V89-F407 HydrophobicContact CG1-CG 4.4Å; V89-F407 HydrophobicContact CG2-CB 3.7Å; V89-F407 HydrophobicContact CG2-CD2 4.18Å; V89-F407 HydrophobicContact CG2-CG 3.96Å
90L88.8Confident88.4Confident144 Ų14465.4 Ų65.475%0.75431%0.311SS*.Hα-helixtrans-64.1-34.2-179.5-68.1173.6000112.9L86 Q87 N92L86-L90 WeakPolarHBondContact O-CG 3.09Å; L86-L90 PolarHBondContact O-N 3.3Å; Q87-L90 PolarHBondContact O-N 2.83Å; L90-N92 VanDerWaalsContact C-N 3.27Å
91Q89.8Confident88.9Confident123 Ų12359.7 Ų59.758%0.57529%0.286SS*.THydrogen-bonded Turntrans-84.1-1.7178.3-68.4-177.9-17.600113Q87 V89 N93Q87-Q91 HydrophobicContact CG-CG 4.21Å; Q87-Q91 WeakPolarHBondContact O-CB 3.32Å; Q87-Q91 VanDerWaalsContact O-CG 3.28Å; Q87-Q91 WeakPolarHBondContact O-CG 3.29Å; Q87-Q91 PolarHBondContact O-N 2.96Å; V89-Q91 VanDerWaalsContact C-N 3.3Å; V89-Q91 PolarHBondContact O-N 3.45Å; Q91-N93 HydrophobicContact CB-CB 4.46Å; Q91-N93 PolarHBondContact O-N 2.86Å; Q91-N93 VanDerWaalsContact O-N 3.13Å
92N87.1Confident89.4Confident110 Ų11059 Ų5959%0.58829%0.285SS*.THydrogen-bonded Turntrans50.232.5-171.4-165.736.3000112.3S88 V89 L90 F407S88-N92 PolarHBondContact O-N 3.42Å; V89-N92 PolarHBondContact O-N 2.86Å; V89-N92 VanDerWaalsContact O-N 3.12Å; L90-N92 VanDerWaalsContact C-N 3.27Å; N92-F407 WeakPolarHBondContact OD1-CE1 3.46Å
93N89.1Confident89.8Confident84 Ų8459.1 Ų59.145%0.44929%0.285SS..  trans-80.8125.2176.7-167.919.1000107.4S88 Q91 F407 M408S88-N93 PolarHBondContact O-N 3.49Å; Q91-N93 HydrophobicContact CB-CB 4.46Å; Q91-N93 PolarHBondContact O-N 2.86Å; Q91-N93 VanDerWaalsContact O-N 3.13Å; N93-F407 CarbonylContact O-C 3.56Å; N93-F407 VanDerWaalsContact O-CA 3.3Å; N93-F407 WeakPolarHBondContact O-CA 3.44Å; N93-M408 CarbonylContact C-O 3.58Å; N93-M408 VanDerWaalsContact C-O 3.27Å; N93-M408 WeakPolarHBondContact CB-O 3.34Å; N93-M408 PolarHBondContact ND2-O 2.76Å; N93-M408 PolarHBondContact O-N 3.49Å; N93-M408 PolarHBondContact OD1-O 3.42Å
94T89.4Confident90Very high51 Ų5155.4 Ų55.431%0.31328%0.277SS..EExtended strand (participates in β ladder)trans-132.9141.4-174.466.10000111.1P56 N405 F406 F407P56-T94 HydrophobicContact CB-CG2 3.67Å; P56-T94 HydrophobicContact CG-CG2 4.28Å; T94-N405 WeakPolarHBondContact CB-ND2 3.34Å; T94-N405 WeakPolarHBondContact CB-OD1 3.5Å; T94-N405 PolarHBondContact OG1-ND2 2.95Å; T94-N405 VanDerWaalsContact OG1-ND2 3.12Å; T94-N405 PolarHBondContact OG1-OD1 2.93Å; T94-F406 CarbonylContact C-O 3.52Å; T94-F406 WeakPolarHBondContact CA-O 3.33Å; T94-F407 HydrophobicContact CG2-CD1 3.67Å; T94-F407 HydrophobicContact CG2-CE1 3.97Å; T94-F407 HydrophobicContact CG2-CG 4.43Å
95K87.6Confident90Very high127 Ų12754.8 Ų54.855%0.55228%0.275SS*.EExtended strand (participates in β ladder)trans-133.7131.4179.2-171.2173.4-178.4174.70110.2N405 F406 M408K95-N405 PolarHBondContact N-OD1 2.84Å; K95-F406 PolarHBondContact N-O 3.28Å; K95-F406 PolarHBondContact O-N 2.83Å; K95-M408 HydrophobicContact CB-CB 3.94Å; K95-M408 HydrophobicContact CB-CG 4.36Å; K95-M408 HydrophobicContact CB-SD 4Å; K95-M408 HydrophobicContact CD-SD 4.29Å
96R87.8Confident89.5Confident71 Ų7156.5 Ų56.527%0.26829%0.288SS..EExtended strand (participates in β ladder)trans-77.5141.2174.3-69.3-168.5-99.4176.2-6.8111.3S254 N255 N402 V404 N405R96-S254 PolarHBondContact NH1-O 2.84Å; R96-S254 PolarHBondContact NH1-OG 2.93Å; R96-S254 VanDerWaalsContact NH1-OG 3.15Å; R96-N255 PolarHBondContact NH2-OD1 3.03Å; R96-N402 HydrophobicContact CB-CB 3.91Å; R96-V404 VanDerWaalsContact CA-O 3.31Å; R96-V404 WeakPolarHBondContact CA-O 3.4Å; R96-N405 HydrophobicContact CG-CB 4.14Å
97R88.3Confident88.1Confident69 Ų6956.3 Ų56.326%0.2629%0.287SS..EExtended strand (participates in β ladder)trans-129.5154.3177.3-75.5-161.4171.4-156.60.2112S71 M72 N402 A403 V404 F406S71-R97 PolarHBondContact O-NH2 3.08Å; S71-R97 PolarHBondContact OG-NH1 3.44Å; M72-R97 VanDerWaalsContact CG-CZ 3.48Å; R97-N402 CarbonylContact O-C 3.48Å; R97-N402 WeakPolarHBondContact O-CA 3.45Å; R97-A403 PolarHBondContact O-N 3.39Å; R97-A403 VanDerWaalsContact O-N 3.08Å; R97-V404 PolarHBondContact N-O 2.94Å; R97-F406 HydrophobicContact CB-CD2 4.28Å; R97-F406 HydrophobicContact CB-CE2 4.5Å
98N91.7Very high86.5Confident26 Ų2662 Ų6214%0.13932%0.319CS..EExtended strand (participates in β ladder)trans-80.3146.9173.1-60.6-10000109.2G327 D328 L399 R400 R401 N402N98-G327 PolarHBondContact ND2-O 2.76Å; N98-D328 PolarHBondContact ND2-OD1 3.3Å; N98-L399 HydrophobicContact CB-CD1 3.93Å; N98-L399 HydrophobicContact CB-CD2 4.47Å; N98-L399 HydrophobicContact CB-CG 4.28Å; N98-R400 VanDerWaalsContact CA-O 3.31Å; N98-R400 WeakPolarHBondContact CA-O 3.23Å; N98-R401 VanDerWaalsContact OD1-CA 3.22Å; N98-R401 WeakPolarHBondContact OD1-CA 3.31Å; N98-N402 PolarHBondContact OD1-N 2.89Å
99V93.2Very high84.6Confident0 Ų065.9 Ų65.90%035%0.346CS..EExtended strand (participates in β ladder)trans-134142.1-179.2-1780000108.1L42 Y123 A124 L125 R400 V404L42-V99 HydrophobicContact CD1-CG1 4.31Å; V99-Y123 HydrophobicContact CG1-CD1 4.19Å; V99-Y123 HydrophobicContact CG1-CG 4.42Å; V99-A124 VanDerWaalsContact CG1-O 3.29Å; V99-A124 WeakPolarHBondContact CG1-O 3.47Å; V99-L125 HydrophobicContact CG1-CD2 4.15Å; V99-L125 HydrophobicContact CG2-CD2 3.81Å; V99-R400 PolarHBondContact N-O 3.4Å; V99-R400 PolarHBondContact O-N 3.47Å; V99-V404 HydrophobicContact CG2-CB 4.29Å; V99-V404 HydrophobicContact CG2-CG2 3.73Å
100L95.2Very high82.3Confident0 Ų071.5 Ų71.50%037%0.37CS..EExtended strand (participates in β ladder)trans-82.3135.2171.8-61.7173.2000109.3Y123 A124 I323 P325 I330 V397 N398 L399L100-Y123 CarbonylContact O-C 3.56Å; L100-Y123 WeakPolarHBondContact O-CA 3.47Å; L100-A124 HydrophobicContact CB-CB 4.03Å; L100-A124 HydrophobicContact CD1-CB 4.44Å; L100-A124 PolarHBondContact N-O 2.96Å; L100-A124 PolarHBondContact O-N 2.92Å; L100-I323 HydrophobicContact CD1-CG2 4.03Å; L100-P325 HydrophobicContact CD2-CB 4.33Å; L100-P325 HydrophobicContact CG-CB 4.34Å; L100-P325 HydrophobicContact CG-CG 4.45Å; L100-I330 HydrophobicContact CD2-CG1 3.99Å; L100-I330 HydrophobicContact CD2-CG2 4.36Å; L100-V397 HydrophobicContact CB-CG1 4.12Å; L100-V397 HydrophobicContact CD1-CG1 4.48Å; L100-V397 HydrophobicContact CD2-CG1 4.01Å; L100-V397 HydrophobicContact CG-CG1 4.44Å; L100-N398 CarbonylContact C-O 3.55Å; L100-L399 HydrophobicContact CD2-CD1 3.73Å
101E94.7Very high79.6Confident4 Ų470.8 Ų70.82%0.01937%0.374CS..EExtended strand (participates in β ladder)trans-106.7112.6171.4179.5178.6-14200107.8K103 Y123 V397 N398 R400E101-K103 HydrophobicContact CG-CG 4.03Å; E101-K103 WeakPolarHBondContact OE1-CE 3.13Å; E101-K103 IonicContact OE1-NZ 2.79Å; E101-K103 PolarHBondContact OE1-NZ 3.02Å; E101-K103 VanDerWaalsContact OE2-CE 3.29Å; E101-K103 WeakPolarHBondContact OE2-CE 3.42Å; E101-K103 IonicContact OE2-NZ 3.39Å; E101-Y123 HydrophobicContact CB-CD1 3.8Å; E101-Y123 HydrophobicContact CB-CE1 3.56Å; E101-Y123 HydrophobicContact CG-CD1 4.05Å; E101-Y123 HydrophobicContact CG-CE1 3.43Å; E101-Y123 VanDerWaalsContact CG-CE1 3.43Å; E101-Y123 PolarHBondContact OE1-OH 3.37Å; E101-V397 WeakPolarHBondContact O-CA 3.46Å; E101-N398 PolarHBondContact N-O 2.97Å; E101-N398 PolarHBondContact O-N 2.75Å; E101-R400 HydrophobicContact CB-CG 4.01Å; E101-R400 IonicContact OE1-CZ 3.94Å; E101-R400 IonicContact OE1-NE 2.82Å; E101-R400 IonicContact OE1-NH2 3.52Å; E101-R400 PolarHBondContact OE1-NH2 3.41Å; E101-R400 IonicContact OE2-CZ 2.66Å; E101-R400 VanDerWaalsContact OE2-CZ 3.28Å; E101-R400 IonicContact OE2-NE 3.56Å; E101-R400 PolarHBondContact OE2-NE 3.32Å; E101-R400 IonicContact OE2-NH2 2.93Å; E101-R400 PolarHBondContact OE2-NH2 2.88Å
102A94.1Very high77.3Confident7 Ų768.2 Ų68.26%0.05836%0.363CS..EExtended strand (participates in β ladder)trans-96.6119.6172.700000109.2N121 T122 I128 I385A102-N121 WeakPolarHBondContact O-CA 3.14Å; A102-T122 PolarHBondContact N-O 3.42Å; A102-T122 PolarHBondContact O-N 2.82Å; A102-I128 HydrophobicContact CB-CD1 3.89Å; A102-I385 HydrophobicContact CB-CD1 4.4Å
103K92.9Very high74.7Confident63 Ų6370 Ų7027%0.27437%0.368SS..EExtended strand (participates in β ladder)trans-113.7133.8175.3-54.5-163.9178.9173.80109.5E101 V105 N121 I395 E396E101-K103 HydrophobicContact CG-CG 4.03Å; E101-K103 WeakPolarHBondContact OE1-CE 3.13Å; E101-K103 IonicContact OE1-NZ 2.79Å; E101-K103 PolarHBondContact OE1-NZ 3.02Å; E101-K103 VanDerWaalsContact OE2-CE 3.29Å; E101-K103 WeakPolarHBondContact OE2-CE 3.42Å; E101-K103 IonicContact OE2-NZ 3.39Å; K103-V105 PolarHBondContact O-N 3.21Å; K103-N121 VanDerWaalsContact CG-OD1 3.27Å; K103-N121 WeakPolarHBondContact CG-OD1 3.42Å; K103-I395 CarbonylContact O-C 3.52Å; K103-I395 WeakPolarHBondContact O-CA 3.45Å; K103-E396 PolarHBondContact N-O 2.66Å; K103-E396 PolarHBondContact O-N 3.48Å
104V91.6Very high72Confident61 Ų6174.2 Ų74.237%0.3739%0.385SS..EExtended strand (participates in β ladder)trans-69.9129.9170.9-177.60000108.6A120 H393V104-A120 HydrophobicContact CB-CB 4.24Å; V104-A120 HydrophobicContact CG2-CB 4.01Å; V104-H393 HydrophobicContact CG1-CB 3.88Å
105V87.9Confident69.1Low35 Ų3576.3 Ų76.321%0.21240%0.402CS..  trans-114.8141.5177.7179.90000108.2K103 P394 E396K103-V105 PolarHBondContact O-N 3.21Å; V105-P394 PolarHBondContact N-O 2.8Å; V105-P394 WeakPolarHBondContact O-CB 3.48Å; V105-E396 HydrophobicContact CG2-CB 3.51Å
106S76Confident66.8Low47 Ų4777.3 Ų77.333%0.32941%0.406SS..  trans-80.7137.5170.2-45.90000107.9I112S106-I112 VanDerWaalsContact OG-CD1 3.3Å; S106-I112 WeakPolarHBondContact OG-CD1 3.43Å; S106-I112 WeakPolarHBondContact OG-CG1 3.38Å
107D61.8Low64.2Low60 Ų6077.4 Ų77.432%0.32142%0.415SS..  trans-65.9141.3162.5-138.6-2.4000107.2S109 Q110 R230D107-S109 PolarHBondContact O-N 3.32Å; D107-Q110 PolarHBondContact O-N 3.27Å; D107-Q110 VanDerWaalsContact O-N 3.14Å; D107-R230 IonicContact OD1-NH2 2.81Å; D107-R230 PolarHBondContact OD1-NH2 2.87Å; D107-R230 IonicContact OD2-NH2 3.83Å
108D55.4Low61.7Low174 Ų17479.4 Ų79.493%0.9344%0.439SS*.THydrogen-bonded Turntrans-55.5-13.3-177.1-70.8-38.9000113
109S45.6Very low59.6Low92 Ų9282.9 Ų82.964%0.64347%0.466SS*.THydrogen-bonded Turntrans-89.4-11.5-177.145.90000116D107D107-S109 PolarHBondContact O-N 3.32Å
110Q41.2Very low58.3Low154 Ų15484.3 Ų84.372%0.7248%0.478SS*.SBendtrans-144122.9172.4-69.6-155.82.400114.4D107 I112D107-Q110 PolarHBondContact O-N 3.27Å; D107-Q110 VanDerWaalsContact O-N 3.14Å; Q110-I112 PolarHBondContact O-N 2.97Å
111P31.6Very low57.8Low129 Ų12986.7 Ų86.784%0.83849%0.49SS*.  trans-73.9116.1177.428.3-30.8000110.9
112I41.3Very low57.5Low68 Ų6887.5 Ų87.535%0.34950%0.496SS..  trans-72.9135.6169.8-58.3177.6000108.6S106 Q110 Q114S106-I112 VanDerWaalsContact OG-CD1 3.3Å; S106-I112 WeakPolarHBondContact OG-CD1 3.43Å; S106-I112 WeakPolarHBondContact OG-CG1 3.38Å; Q110-I112 PolarHBondContact O-N 2.97Å; I112-Q114 PolarHBondContact O-N 3.28Å
113E32.6Very low57.5Low148 Ų14887.7 Ų87.769%0.69250%0.495SS*.  trans-48.7112.9168.9-70.3-178.8164.200109.8S115 K116E113-S115 PolarHBondContact O-N 2.94Å; E113-K116 PolarHBondContact O-N 3.43Å
114Q31.9Very low57.5Low173 Ų17384.7 Ų84.781%0.80848%0.482SS*.THydrogen-bonded Turntrans-59.7-2.3-174.2-70.1174.1-13.100114.4I112 T117I112-Q114 PolarHBondContact O-N 3.28Å; Q114-T117 PolarHBondContact O-OG1 2.88Å
115S28.4Very low57.5Low94 Ų9482.6 Ų82.666%0.65747%0.469SS*.THydrogen-bonded Turntrans-80.6-13.9177.657.80000114.1E113E113-S115 PolarHBondContact O-N 2.94Å
116K39.4Very low57.7Low149 Ų14982.2 Ų82.265%0.64847%0.465SS*.SBendtrans-100.6-8.8175.4-70.9-175.9-178.2175.40114.7E113E113-K116 PolarHBondContact O-N 3.43Å
117T33Very low58.5Low72 Ų7280 Ų8044%0.44245%0.449SS..SBendtrans-79.9-24.8-165.7480000114.7Q114Q114-T117 PolarHBondContact O-OG1 2.88Å
118S36.2Very low60Low111 Ų11177.2 Ų77.278%0.77644%0.435SS*.THydrogen-bonded Turntrans-77.3-22.3179.653.40000113.7
119S48.7Very low61.8Low100 Ų10069 Ų6970%0.69939%0.39SS*.THydrogen-bonded Turntrans-103.15.5-175.364.40000115.3
120A65.5Low64.1Low30 Ų3064.8 Ų64.825%0.24836%0.361CS..  trans-93.72.1-167.100000115.6V104 T122V104-A120 HydrophobicContact CB-CB 4.24Å; V104-A120 HydrophobicContact CG2-CB 4.01Å; A120-T122 PolarHBondContact O-N 3.34Å
121N83.9Confident66.4Low50 Ų5057.5 Ų57.527%0.26733%0.327SS..  trans-79.8119.9179.5-62.4-13.7000109.9A102 K103 Y123A102-N121 WeakPolarHBondContact O-CA 3.14Å; K103-N121 VanDerWaalsContact CG-OD1 3.27Å; K103-N121 WeakPolarHBondContact CG-OD1 3.42Å; N121-Y123 HydrophobicContact CB-CE2 4.48Å
122T89.3Confident69.2Low21 Ų2151.4 Ų51.413%0.12929%0.287CS..EExtended strand (participates in β ladder)trans-115.3139.1175.6-62.30000108.8A102 A120 I385 F390A102-T122 PolarHBondContact N-O 3.42Å; A102-T122 PolarHBondContact O-N 2.82Å; A120-T122 PolarHBondContact O-N 3.34Å; T122-I385 HydrophobicContact CG2-CD1 3.89Å; T122-I385 HydrophobicContact CG2-CG2 4.19Å; T122-F390 HydrophobicContact CG2-CE1 3.87Å; T122-F390 HydrophobicContact CG2-CE2 3.96Å; T122-F390 HydrophobicContact CG2-CZ 3.53Å; T122-F390 WeakPolarHBondContact OG1-CE1 2.88Å
123Y92.8Very high71.5Confident11 Ų1148.2 Ų48.24%0.04327%0.27CS..EExtended strand (participates in β ladder)trans-105.1142.1179.3-63.5-90000110.8Q35 T39 L42 V99 L100 E101 N121 R400Q35-Y123 WeakPolarHBondContact CG-O 3.46Å; Q35-Y123 PolarHBondContact NE2-O 3.15Å; T39-Y123 HydrophobicContact CG2-CD2 4.02Å; T39-Y123 PolarHBondContact OG1-N 3.15Å; L42-Y123 HydrophobicContact CB-CD1 4.42Å; L42-Y123 HydrophobicContact CB-CD2 4.01Å; L42-Y123 HydrophobicContact CB-CE1 4.15Å; L42-Y123 HydrophobicContact CB-CE2 3.69Å; L42-Y123 HydrophobicContact CB-CG 4.37Å; L42-Y123 HydrophobicContact CD1-CD1 3.54Å; L42-Y123 HydrophobicContact CD1-CD2 4.2Å; L42-Y123 HydrophobicContact CD1-CE1 3.9Å; L42-Y123 HydrophobicContact CD1-CE2 4.49Å; L42-Y123 HydrophobicContact CD1-CG 3.72Å; V99-Y123 HydrophobicContact CG1-CD1 4.19Å; V99-Y123 HydrophobicContact CG1-CG 4.42Å; L100-Y123 CarbonylContact O-C 3.56Å; L100-Y123 WeakPolarHBondContact O-CA 3.47Å; E101-Y123 HydrophobicContact CB-CD1 3.8Å; E101-Y123 HydrophobicContact CB-CE1 3.56Å; E101-Y123 HydrophobicContact CG-CD1 4.05Å; E101-Y123 HydrophobicContact CG-CE1 3.43Å; E101-Y123 VanDerWaalsContact CG-CE1 3.43Å; E101-Y123 PolarHBondContact OE1-OH 3.37Å; N121-Y123 HydrophobicContact CB-CE2 4.48Å; Y123-R400 HydrophobicContact CE1-CG 4.43Å
124A93.5Very high74Confident0 Ų041.1 Ų41.10%024%0.238CC..EExtended strand (participates in β ladder)trans-117.2125176.700000110.6V99 L100 I128 I385 D386V99-A124 VanDerWaalsContact CG1-O 3.29Å; V99-A124 WeakPolarHBondContact CG1-O 3.47Å; L100-A124 HydrophobicContact CB-CB 4.03Å; L100-A124 HydrophobicContact CD1-CB 4.44Å; L100-A124 PolarHBondContact N-O 2.96Å; L100-A124 PolarHBondContact O-N 2.92Å; A124-I128 HydrophobicContact CB-CG1 3.97Å; A124-I385 HydrophobicContact CB-CG2 3.41Å; A124-I385 VanDerWaalsContact CB-CG2 3.41Å; A124-D386 WeakPolarHBondContact CA-OD2 3.42Å
125L92.4Very high76.6Confident17 Ų1733 Ų339%0.08920%0.2CC..SBendtrans-86.6-40.6178.6-61.7173.5000112I34 Q35 V38 L68 V99 D386 F406I34-L125 HydrophobicContact CB-CD1 4.42Å; I34-L125 HydrophobicContact CG2-CD1 3.8Å; Q35-L125 HydrophobicContact CB-CD1 4.43Å; V38-L125 HydrophobicContact CB-CD1 4.44Å; V38-L125 HydrophobicContact CB-CD2 4.26Å; V38-L125 HydrophobicContact CG1-CD2 3.89Å; V38-L125 HydrophobicContact CG2-CD1 4.02Å; V38-L125 HydrophobicContact CG2-CD2 4.03Å; L68-L125 HydrophobicContact CD1-CB 3.67Å; L68-L125 HydrophobicContact CD1-CD1 4.35Å; L68-L125 HydrophobicContact CD2-CB 4.46Å; L68-L125 HydrophobicContact CD2-CD1 3.58Å; V99-L125 HydrophobicContact CG1-CD2 4.15Å; V99-L125 HydrophobicContact CG2-CD2 3.81Å; L125-D386 WeakPolarHBondContact CB-OD2 3.42Å; L125-D386 PolarHBondContact N-OD1 2.84Å; L125-D386 PolarHBondContact N-OD2 3.44Å; L125-F406 HydrophobicContact CD1-CZ 4.24Å; L125-F406 HydrophobicContact CD2-CE2 4.14Å; L125-F406 HydrophobicContact CD2-CZ 3.79Å
126L90.9Very high79.3Confident26 Ų2629 Ų2914%0.13617%0.171CC..SBendtrans-98.4-51.5176.9-67.5172.3000110.7L68 P325 Y357 D386L68-L126 HydrophobicContact CB-CD1 4.47Å; L68-L126 HydrophobicContact CB-CD2 4.46Å; L68-L126 HydrophobicContact CB-CG 4.39Å; L68-L126 HydrophobicContact CD1-CD2 4.12Å; L68-L126 HydrophobicContact CD1-CG 4.24Å; L126-P325 VanDerWaalsContact O-CD 3.26Å; L126-P325 WeakPolarHBondContact O-CD 3.33Å; L126-Y357 HydrophobicContact CB-CD2 3.63Å; L126-Y357 HydrophobicContact CB-CE2 3.63Å; L126-Y357 HydrophobicContact CB-CG 4.44Å; L126-Y357 HydrophobicContact CD1-CD2 4.26Å; L126-Y357 HydrophobicContact CD1-CE2 4.01Å; L126-Y357 HydrophobicContact CG-CE2 4.5Å; L126-D386 WeakPolarHBondContact CA-OD1 3.45Å; L126-D386 VanDerWaalsContact CB-OD1 3.28Å; L126-D386 WeakPolarHBondContact CB-OD1 3.12Å; L126-D386 PolarHBondContact N-OD1 3.11Å
127G93Very high81.3Confident0 Ų022.1 Ų22.10%014%0.141CC..  trans164-177.4-177.700000115.3I323 Y357 D386G127-I323 CarbonylContact C-O 3.41Å; G127-I323 WeakPolarHBondContact CA-O 3.09Å; G127-Y357 WeakPolarHBondContact O-CE1 3.29Å; G127-Y357 PolarHBondContact O-OH 3.2Å; G127-D386 PolarHBondContact N-OD1 2.8Å; G127-D386 VanDerWaalsContact N-OD1 3.14Å; G127-D386 PolarHBondContact O-N 2.68Å
128I94.2Very high83.5Confident2 Ų219 Ų191%0.0112%0.121CC..EExtended strand (participates in β ladder)trans-120.9124.5179.3-49.9176.4000107.8A102 A124 T322 I323 W384 I385 I395 V397A102-I128 HydrophobicContact CB-CD1 3.89Å; A124-I128 HydrophobicContact CB-CG1 3.97Å; I128-T322 CarbonylContact O-C 3.51Å; I128-T322 WeakPolarHBondContact O-CA 3.44Å; I128-I323 HydrophobicContact CB-CB 4.17Å; I128-I323 HydrophobicContact CB-CD1 4.46Å; I128-I323 PolarHBondContact N-O 3.43Å; I128-I323 PolarHBondContact O-N 3.18Å; I128-W384 CarbonylContact C-O 3.48Å; I128-W384 WeakPolarHBondContact CA-O 3.5Å; I128-I385 HydrophobicContact CB-CG1 4.47Å; I128-I385 HydrophobicContact CD1-CD1 4.5Å; I128-I385 HydrophobicContact CG1-CD1 4.44Å; I128-I385 HydrophobicContact CG1-CG1 4.09Å; I128-I385 HydrophobicContact CG1-CG2 4.5Å; I128-I385 HydrophobicContact CG2-CG1 4.06Å; I128-I395 HydrophobicContact CD1-CD1 4.49Å; I128-V397 HydrophobicContact CD1-CG1 4.34Å; I128-V397 HydrophobicContact CD1-CG2 3.98Å
129E92.4Very high85.5Confident1 Ų114.3 Ų14.31%0.0059%0.091CC..EExtended strand (participates in β ladder)trans-112.8130.1175.1-87.1174.9-171.200109.6R134 R158 T322 Y357 W384E129-R134 IonicContact OE2-CZ 3.29Å; E129-R134 IonicContact OE2-NE 3.85Å; E129-R134 PolarHBondContact OE2-NE 3.49Å; E129-R134 IonicContact OE2-NH2 3.57Å; E129-R134 PolarHBondContact OE2-NH2 3.04Å; E129-R158 IonicContact OE1-NH1 2.75Å; E129-R158 IonicContact OE2-NH1 3.28Å; E129-T322 HydrophobicContact CG-CG2 4.06Å; E129-Y357 HydrophobicContact CB-CE1 4.08Å; E129-Y357 HydrophobicContact CG-CD1 3.62Å; E129-Y357 HydrophobicContact CG-CE1 3.56Å; E129-Y357 WeakPolarHBondContact OE1-CA 2.99Å; E129-Y357 PolarHBondContact OE1-N 3.28Å; E129-W384 HydrophobicContact CB-CB 4.08Å; E129-W384 PolarHBondContact N-O 2.99Å; E129-W384 WeakPolarHBondContact O-CB 3.32Å; E129-W384 PolarHBondContact O-N 3.3Å
130W93.2Very high86.9Confident5 Ų59.6 Ų9.62%0.0196%0.058CC..EExtended strand (participates in β ladder)trans-131.993.4169.4-175.335.4000109.3K227 L228 A229 G320 F321 L373 P375 E381 Y383W130-K227 HydrophobicContact CH2-CB 4.34Å; W130-K227 HydrophobicContact CZ2-CB 4.46Å; W130-K227 HydrophobicContact CZ2-CD 3.99Å; W130-L228 WeakPolarHBondContact CH2-O 3.4Å; W130-A229 HydrophobicContact CH2-CB 4.35Å; W130-A229 HydrophobicContact CZ3-CB 3.75Å; W130-G320 CarbonylContact O-C 3.48Å; W130-G320 WeakPolarHBondContact O-CA 3.44Å; W130-F321 HydrophobicContact CD2-CD2 4.29Å; W130-F321 AromaticContact CE3-CD2 3.41Å; W130-F321 HydrophobicContact CE3-CD2 3.41Å; W130-F321 VanDerWaalsContact CE3-CD2 3.41Å; W130-F321 AromaticContact CE3-CE2 3.83Å; W130-F321 HydrophobicContact CE3-CE2 3.83Å; W130-F321 HydrophobicContact CE3-CG 4.39Å; W130-F321 AromaticContact CZ3-CD2 3.8Å; W130-F321 HydrophobicContact CZ3-CD2 3.8Å; W130-F321 AromaticContact CZ3-CE2 3.7Å; W130-F321 HydrophobicContact CZ3-CE2 3.7Å; W130-F321 PolarHBondContact N-O 2.88Å; W130-F321 PolarHBondContact O-N 3.19Å; W130-L373 HydrophobicContact CE3-CD1 4.25Å; W130-L373 HydrophobicContact CE3-CD2 3.96Å; W130-L373 HydrophobicContact CE3-CG 4.46Å; W130-L373 HydrophobicContact CZ3-CD1 4.13Å; W130-L373 HydrophobicContact CZ3-CD2 4.48Å; W130-P375 HydrophobicContact CH2-CB 3.25Å; W130-P375 HydrophobicContact CZ2-CB 3.66Å; W130-P375 HydrophobicContact CZ3-CB 3.79Å; W130-E381 PolarHBondContact NE1-OE2 3.02Å; W130-Y383 HydrophobicContact CB-CD1 3.67Å; W130-Y383 HydrophobicContact CB-CE1 3.93Å; W130-Y383 AromaticContact CD1-CD1 3.96Å; W130-Y383 HydrophobicContact CD2-CD1 4.24Å; W130-Y383 AromaticContact CD2-CE1 3.72Å; W130-Y383 HydrophobicContact CD2-CE1 3.72Å; W130-Y383 HydrophobicContact CE3-CE1 4Å; W130-Y383 AromaticContact CG-CD1 3.66Å; W130-Y383 HydrophobicContact CG-CD1 3.66Å; W130-Y383 AromaticContact CG-CE1 3.65Å; W130-Y383 HydrophobicContact CG-CE1 3.65Å
131N91.1Very high87.4Confident1 Ų18.2 Ų8.21%0.0055%0.046CC..EExtended strand (participates in β ladder)trans-148.6156-172.161.255.4000112.6W133 R134 S319 L335N131-W133 PolarHBondContact O-N 2.96Å; N131-W133 WeakPolarHBondContact OD1-CB 3.47Å; N131-W133 PolarHBondContact OD1-N 3.24Å; N131-R134 PolarHBondContact O-N 3.33Å; N131-R134 VanDerWaalsContact OD1-CG 3.3Å; N131-R134 WeakPolarHBondContact OD1-CG 3.48Å; N131-R134 PolarHBondContact OD1-N 3.28Å; N131-S319 WeakPolarHBondContact CA-O 3.35Å; N131-L335 HydrophobicContact CB-CD1 4.11Å
132I90Very high86.9Confident1 Ų17.4 Ų7.41%0.0054%0.04CC..Hα-helixtrans-62.3-23.5178.864.7-178.4000112.8D135 I136 R225 K227 S319I132-D135 PolarHBondContact O-N 3.36Å; I132-I136 WeakPolarHBondContact O-CD1 3.27Å; I132-I136 VanDerWaalsContact O-CG1 3.26Å; I132-I136 WeakPolarHBondContact O-CG1 3.34Å; I132-I136 PolarHBondContact O-N 3.29Å; I132-R225 WeakPolarHBondContact CD1-O 3.2Å; I132-K227 HydrophobicContact CG2-CD 4.3Å; I132-K227 HydrophobicContact CG2-CG 4.28Å; I132-S319 WeakPolarHBondContact CG1-O 3.45Å; I132-S319 PolarHBondContact N-O 2.8Å
133W88.7Confident86Confident0 Ų07.1 Ų7.10%04%0.042CC..Hα-helixtrans-70.4-38.7-177.4-47.1127.8000111.6N131 D135 I136 E137 H344 Q347 F348 W351N131-W133 PolarHBondContact O-N 2.96Å; N131-W133 WeakPolarHBondContact OD1-CB 3.47Å; N131-W133 PolarHBondContact OD1-N 3.24Å; W133-D135 VanDerWaalsContact C-N 3.34Å; W133-I136 HydrophobicContact CE3-CD1 3.73Å; W133-I136 HydrophobicContact CZ3-CD1 4.07Å; W133-I136 PolarHBondContact O-N 3.13Å; W133-E137 WeakPolarHBondContact O-CB 3.24Å; W133-E137 PolarHBondContact O-N 3.08Å; W133-H344 AromaticContact CH2-CE1 3.54Å; W133-H344 AromaticContact CH2-CG 3.97Å; W133-H344 AromaticContact CH2-ND1 3.28Å; W133-H344 VanDerWaalsContact CH2-ND1 3.28Å; W133-H344 WeakPolarHBondContact CH2-ND1 3.39Å; W133-H344 AromaticContact CZ3-CE1 3.12Å; W133-H344 WeakPolarHBondContact CZ3-CE1 3.48Å; W133-H344 AromaticContact CZ3-ND1 3.42Å; W133-H344 WeakPolarHBondContact CZ3-ND1 3.24Å; W133-H344 AromaticContact CZ3-NE2 3.66Å; W133-Q347 HydrophobicContact CH2-CB 4.03Å; W133-Q347 HydrophobicContact CZ2-CB 3.71Å; W133-F348 HydrophobicContact CB-CD2 4.47Å; W133-F348 HydrophobicContact CD2-CD2 4.18Å; W133-F348 HydrophobicContact CE3-CB 3.92Å; W133-F348 AromaticContact CE3-CD2 3.45Å; W133-F348 HydrophobicContact CE3-CD2 3.45Å; W133-F348 VanDerWaalsContact CE3-CD2 3.45Å; W133-F348 HydrophobicContact CE3-CE2 4.4Å; W133-F348 HydrophobicContact CE3-CG 4.12Å; W133-F348 HydrophobicContact CH2-CB 4.14Å; W133-F348 HydrophobicContact CZ3-CB 3.57Å; W133-F348 AromaticContact CZ3-CD2 3.95Å; W133-F348 HydrophobicContact CZ3-CD2 3.95Å; W133-F348 HydrophobicContact CZ3-CG 4.17Å; W133-W351 HydrophobicContact CB-CD2 3.47Å; W133-W351 VanDerWaalsContact CB-CD2 3.47Å; W133-W351 HydrophobicContact CB-CE3 3.61Å; W133-W351 HydrophobicContact CB-CG 4.06Å; W133-W351 HydrophobicContact CB-CH2 3.83Å; W133-W351 HydrophobicContact CB-CZ2 3.73Å; W133-W351 HydrophobicContact CB-CZ3 3.78Å; W133-W351 AromaticContact CD1-CD1 3.77Å; W133-W351 AromaticContact CD1-CG 3.76Å; W133-W351 HydrophobicContact CG-CB 4.47Å; W133-W351 AromaticContact CG-CD2 3.94Å; W133-W351 HydrophobicContact CG-CD2 3.94Å; W133-W351 HydrophobicContact CG-CE3 4.3Å; W133-W351 HydrophobicContact CG-CG 4.01Å
134R86.4Confident85.1Confident0 Ų07 Ų70%04%0.043CC..Hα-helixtrans-63.6-40.6171.4-72.5-75-176.5171.35.9111.3E129 N131 I136 E137 L138 R158 W351 W384 N387E129-R134 IonicContact OE2-CZ 3.29Å; E129-R134 IonicContact OE2-NE 3.85Å; E129-R134 PolarHBondContact OE2-NE 3.49Å; E129-R134 IonicContact OE2-NH2 3.57Å; E129-R134 PolarHBondContact OE2-NH2 3.04Å; N131-R134 PolarHBondContact O-N 3.33Å; N131-R134 VanDerWaalsContact OD1-CG 3.3Å; N131-R134 WeakPolarHBondContact OD1-CG 3.48Å; N131-R134 PolarHBondContact OD1-N 3.28Å; R134-I136 VanDerWaalsContact C-N 3.32Å; R134-I136 PolarHBondContact O-N 2.98Å; R134-E137 PolarHBondContact O-N 3.42Å; R134-L138 PolarHBondContact O-N 3.12Å; R134-R158 VanDerWaalsContact NH2-NH1 3.17Å; R134-W351 HydrophobicContact CG-CZ2 4.08Å; R134-W384 HydrophobicContact CB-CD2 4.4Å; R134-W384 HydrophobicContact CB-CG 4.19Å; R134-W384 VanDerWaalsContact CB-NE1 3.33Å; R134-W384 HydrophobicContact CG-CB 4.48Å; R134-W384 HydrophobicContact CG-CD2 4.28Å; R134-W384 HydrophobicContact CG-CG 3.83Å; R134-N387 PolarHBondContact NH1-OD1 3.37Å; R134-N387 PolarHBondContact NH2-OD1 2.85Å; R134-N387 VanDerWaalsContact NH2-OD1 3.15Å
135D86Confident83.9Confident2 Ų210.1 Ų10.11%0.0117%0.065CC..Hα-helixtrans-65.6-35.9177.5-52.6-27.6000112.3I132 W133 G139 K227I132-D135 PolarHBondContact O-N 3.36Å; W133-D135 VanDerWaalsContact C-N 3.34Å; D135-G139 CarbonylContact O-C 3.5Å; D135-G139 WeakPolarHBondContact O-CA 3.19Å; D135-G139 PolarHBondContact O-N 3.38Å; D135-K227 WeakPolarHBondContact OD2-CE 3.19Å; D135-K227 IonicContact OD2-NZ 2.64Å; D135-K227 PolarHBondContact OD2-NZ 3.01Å
136I84.5Confident82.7Confident11 Ų1115.1 Ų15.16%0.0569%0.092CC..Hα-helixtrans-66.1-43173.3-71.2160.9000110.6I132 W133 R134 R181 Y185 F348I132-I136 WeakPolarHBondContact O-CD1 3.27Å; I132-I136 VanDerWaalsContact O-CG1 3.26Å; I132-I136 WeakPolarHBondContact O-CG1 3.34Å; I132-I136 PolarHBondContact O-N 3.29Å; W133-I136 HydrophobicContact CE3-CD1 3.73Å; W133-I136 HydrophobicContact CZ3-CD1 4.07Å; W133-I136 PolarHBondContact O-N 3.13Å; R134-I136 VanDerWaalsContact C-N 3.32Å; R134-I136 PolarHBondContact O-N 2.98Å; I136-R181 HydrophobicContact CG2-CB 4.17Å; I136-R181 PolarHBondContact O-NH1 2.96Å; I136-Y185 HydrophobicContact CD1-CD1 3.67Å; I136-Y185 HydrophobicContact CD1-CD2 4.37Å; I136-Y185 HydrophobicContact CD1-CE1 4.13Å; I136-Y185 HydrophobicContact CD1-CG 3.82Å; I136-Y185 HydrophobicContact CG1-CD1 3.77Å; I136-Y185 HydrophobicContact CG1-CD2 3.53Å; I136-Y185 HydrophobicContact CG1-CE1 4.24Å; I136-Y185 HydrophobicContact CG1-CE2 3.98Å; I136-Y185 HydrophobicContact CG1-CG 3.39Å; I136-F348 HydrophobicContact CB-CE2 4.48Å; I136-F348 HydrophobicContact CG2-CE2 3.94Å; I136-F348 HydrophobicContact CG2-CZ 4.08Å
137E80.6Confident81.6Confident4 Ų424.9 Ų24.92%0.01913%0.127CC..Hα-helixtrans-74.6-46.2-174.3-84.4-60.216400113.3W133 R134 A178 R181 F348 W351 L352W133-E137 WeakPolarHBondContact O-CB 3.24Å; W133-E137 PolarHBondContact O-N 3.08Å; R134-E137 PolarHBondContact O-N 3.42Å; E137-A178 VanDerWaalsContact OE1-CB 3.23Å; E137-A178 WeakPolarHBondContact OE1-CB 3.46Å; E137-R181 VanDerWaalsContact CA-NH1 3.28Å; E137-R181 PolarHBondContact O-NH1 3.13Å; E137-R181 IonicContact OE1-NH2 3.91Å; E137-R181 IonicContact OE2-CZ 3.03Å; E137-R181 VanDerWaalsContact OE2-CZ 3.3Å; E137-R181 IonicContact OE2-NH1 3.79Å; E137-R181 PolarHBondContact OE2-NH1 3.42Å; E137-R181 IonicContact OE2-NH2 2.87Å; E137-R181 PolarHBondContact OE2-NH2 2.87Å; E137-F348 HydrophobicContact CG-CE2 4.37Å; E137-F348 VanDerWaalsContact OE1-CZ 3.32Å; E137-F348 WeakPolarHBondContact OE1-CZ 3.43Å; E137-W351 HydrophobicContact CB-CH2 4.24Å; E137-W351 HydrophobicContact CG-CH2 3.65Å; E137-W351 HydrophobicContact CG-CZ3 3.51Å; E137-L352 WeakPolarHBondContact OE1-CD1 3.12Å
138L79.5Confident80.5Confident6 Ų630.1 Ų30.13%0.03115%0.151CC..Hα-helixtrans-109.8-8.9-168.4-60.1171.5000111.2R134 P151 A152 P154 H157 W384R134-L138 PolarHBondContact O-N 3.12Å; L138-P151 HydrophobicContact CB-CB 4.19Å; L138-P151 CarbonylContact O-C 3.37Å; L138-P151 VanDerWaalsContact O-CA 3.29Å; L138-P151 WeakPolarHBondContact O-CA 3.49Å; L138-A152 PolarHBondContact O-N 2.87Å; L138-P154 HydrophobicContact CD1-CB 4.43Å; L138-H157 HydrophobicContact CD2-CB 3.74Å; L138-W384 HydrophobicContact CB-CH2 3.69Å; L138-W384 HydrophobicContact CB-CZ2 3.72Å; L138-W384 HydrophobicContact CD1-CD2 4.36Å; L138-W384 HydrophobicContact CD1-CE3 3.95Å; L138-W384 HydrophobicContact CD1-CH2 3.05Å; L138-W384 HydrophobicContact CD1-CZ2 3.51Å; L138-W384 HydrophobicContact CD1-CZ3 3.29Å; L138-W384 HydrophobicContact CG-CH2 3.91Å; L138-W384 HydrophobicContact CG-CZ2 4.19Å
139G78.8Confident79.4Confident13 Ų1333.5 Ų33.513%0.13417%0.166CC..  trans85-176-172.400000111.8D135D135-G139 CarbonylContact O-C 3.5Å; D135-G139 WeakPolarHBondContact O-CA 3.19Å; D135-G139 PolarHBondContact O-N 3.38Å
140G78.3Confident78.7Confident0 Ų040.6 Ų40.60%020%0.196CC..  trans79.1-157.5-162.700000112.5H148G140-H148 WeakPolarHBondContact CA-O 3.46Å; G140-H148 PolarHBondContact N-O 2.92Å
141G75.4Confident78Confident1 Ų140.8 Ų40.81%0.0120%0.198CC..SBendtrans83.6154.2-170.700000112.3G143 A144 N380 E381G141-G143 PolarHBondContact O-N 2.79Å; G141-A144 WeakPolarHBondContact O-CB 3.33Å; G141-A144 PolarHBondContact O-N 3.25Å; G141-N380 CarbonylContact C-O 3.6Å; G141-N380 VanDerWaalsContact CA-O 3.3Å; G141-N380 WeakPolarHBondContact CA-O 3.49Å; G141-N380 PolarHBondContact N-O 2.83Å; G141-E381 WeakPolarHBondContact CA-OE1 3.29Å
142F74.9Confident77.3Confident33 Ų3342.5 Ų42.515%0.14521%0.213CC..THydrogen-bonded Turntrans-51.5136.8175.9-178.3-103.2000111.6A144 Q221 K223 Q377 E381F142-A144 VanDerWaalsContact C-N 3.27Å; F142-A144 PolarHBondContact O-N 3.39Å; F142-Q221 HydrophobicContact CE1-CB 4.18Å; F142-Q221 HydrophobicContact CE2-CG 4.48Å; F142-Q221 HydrophobicContact CZ-CB 3.99Å; F142-Q221 HydrophobicContact CZ-CG 3.94Å; F142-K223 VanDerWaalsContact O-CA 3.29Å; F142-K223 WeakPolarHBondContact O-CA 3.42Å; F142-Q377 HydrophobicContact CD2-CB 4.46Å; F142-Q377 VanDerWaalsContact CD2-OE1 3.24Å; F142-E381 PolarHBondContact N-OE1 2.84Å
143G69.5Low76.4Confident15 Ų1546.2 Ų46.216%0.15523%0.233CC..THydrogen-bonded Turntrans70.915-177.400000115G141 Q221 K223G141-G143 PolarHBondContact O-N 2.79Å; G143-Q221 WeakPolarHBondContact CA-O 3.28Å; G143-K223 WeakPolarHBondContact O-CG 3.43Å
144A73Confident75.3Confident10 Ų1046.6 Ų46.68%0.08324%0.235CC..  trans-61.7139.7168.200000111.5G141 F142G141-A144 WeakPolarHBondContact O-CB 3.33Å; G141-A144 PolarHBondContact O-N 3.25Å; F142-A144 VanDerWaalsContact C-N 3.27Å; F142-A144 PolarHBondContact O-N 3.39Å
145S69Low74.1Confident64 Ų6448.5 Ų48.545%0.44825%0.245SC..  trans-65154.5173.760.80000111R147 H148 K149S145-R147 PolarHBondContact O-N 3.16Å; S145-H148 CarbonylContact O-C 3.45Å; S145-H148 WeakPolarHBondContact O-CA 3.31Å; S145-H148 PolarHBondContact O-N 3.31Å; S145-H148 PolarHBondContact OG-CD2 3.27Å; S145-K149 PolarHBondContact O-N 3.38Å
146D68.2Low72.7Confident123 Ų12352.9 Ų52.966%0.65827%0.269SS*.G310 helixtrans-48.5-37.7179.8-63.5-44.9000114.7H148 K149D146-H148 PolarHBondContact O-N 3.14Å; D146-K149 PolarHBondContact O-N 3.38Å; D146-K149 WeakPolarHBondContact OD1-CE 3.3Å; D146-K149 IonicContact OD1-NZ 3.68Å; D146-K149 PolarHBondContact OD1-NZ 3.08Å
147R67.7Low71.2Confident230 Ų23055 Ų5587%0.86828%0.278SS*.G310 helixtrans-67.2-17.3178.4-65.5-174.5-179.2-178.1-0.5114.8S145S145-R147 PolarHBondContact O-N 3.16Å
148H68.7Low69.9Low110 Ų11055.2 Ų55.251%0.50928%0.279SS..G310 helixtrans-13024.2-175.4-61.7-62.3000111.5G140 S145 D146 K150G140-H148 WeakPolarHBondContact CA-O 3.46Å; G140-H148 PolarHBondContact N-O 2.92Å; S145-H148 CarbonylContact O-C 3.45Å; S145-H148 WeakPolarHBondContact O-CA 3.31Å; S145-H148 PolarHBondContact O-N 3.31Å; S145-H148 PolarHBondContact OG-CD2 3.27Å; D146-H148 PolarHBondContact O-N 3.14Å; H148-K150 VanDerWaalsContact C-N 3.3Å
149K71.2Confident68.6Low74 Ų7455 Ų5532%0.32228%0.278SS..SBendtrans-63.8-37.4176.7-85.5-179.2166170.20112.1S145 D146 N380 Y382S145-K149 PolarHBondContact O-N 3.38Å; D146-K149 PolarHBondContact O-N 3.38Å; D146-K149 WeakPolarHBondContact OD1-CE 3.3Å; D146-K149 IonicContact OD1-NZ 3.68Å; D146-K149 PolarHBondContact OD1-NZ 3.08Å; K149-N380 WeakPolarHBondContact CG-OD1 3.36Å; K149-Y382 VanDerWaalsContact O-CE2 3.27Å; K149-Y382 WeakPolarHBondContact O-CE2 3.46Å; K149-Y382 PolarHBondContact O-OH 3.19Å
150K77.4Confident67.2Low149 Ų14955.8 Ų55.865%0.64828%0.28SS*.SBendtrans-97.4140.3175.4-67.7-171.9177.2-173.60110.7H148H148-K150 VanDerWaalsContact C-N 3.3Å
151P78.9Confident65.7Low9 Ų956.5 Ų56.56%0.05828%0.284CS..PPolyproline II helixtrans-61.3144.3173.6-19.732.6000111L138 Y382 W384 Y389L138-P151 HydrophobicContact CB-CB 4.19Å; L138-P151 CarbonylContact O-C 3.37Å; L138-P151 VanDerWaalsContact O-CA 3.29Å; L138-P151 WeakPolarHBondContact O-CA 3.49Å; P151-Y382 HydrophobicContact CG-CD1 4.09Å; P151-Y382 HydrophobicContact CG-CD2 3.59Å; P151-Y382 HydrophobicContact CG-CE1 4.28Å; P151-Y382 HydrophobicContact CG-CE2 3.82Å; P151-Y382 HydrophobicContact CG-CG 3.74Å; P151-W384 HydrophobicContact CB-CH2 3.57Å; P151-W384 HydrophobicContact CB-CZ2 3.6Å; P151-W384 HydrophobicContact CG-CH2 4.2Å; P151-W384 HydrophobicContact CG-CZ2 3.89Å; P151-Y389 HydrophobicContact CB-CD1 4.22Å; P151-Y389 HydrophobicContact CB-CE1 4.48Å; P151-Y389 HydrophobicContact CB-CG 4.27Å; P151-Y389 HydrophobicContact CG-CD1 4.37Å; P151-Y389 HydrophobicContact CG-CD2 3.88Å; P151-Y389 HydrophobicContact CG-CE2 4.31Å; P151-Y389 HydrophobicContact CG-CG 3.94Å
152A76.1Confident64.4Low37 Ų3760.9 Ų60.931%0.30631%0.311SS..PPolyproline II helixtrans-65.2158.916600000110.2L138L138-A152 PolarHBondContact O-N 2.87Å
153N71Confident63.1Low80 Ų8063.7 Ų63.743%0.42833%0.331SS..PPolyproline II helixtrans-59.2126.6-179.5-171.7-31.6000109.9N155 D156N153-N155 PolarHBondContact O-N 3.24Å; N153-N155 VanDerWaalsContact O-N 3.11Å; N153-N155 WeakPolarHBondContact OD1-CB 3.49Å; N153-N155 PolarHBondContact OD1-N 3.39Å; N153-D156 WeakPolarHBondContact O-CB 3.19Å; N153-D156 PolarHBondContact O-N 2.58Å
154P65.4Low61.9Low7 Ų765.8 Ų65.85%0.04534%0.338CS..G310 helixtrans-55.6-27.7178.424.4-38.2000113.5W65 L138 D156 W384 N387W65-P154 PolarHBondContact NE1-O 3.29Å; W65-P154 VanDerWaalsContact NE1-O 3.08Å; L138-P154 HydrophobicContact CD1-CB 4.43Å; P154-D156 PolarHBondContact O-N 2.79Å; P154-W384 HydrophobicContact CB-CZ3 4.14Å; P154-N387 WeakPolarHBondContact CB-O 3.31Å; P154-N387 WeakPolarHBondContact CG-O 3.49Å
155N61.3Low60.8Low40 Ų4068.5 Ų68.521%0.21436%0.357CS..G310 helixtrans-65.8-20.5179.2-69.6-14.8000112.8I64 N153I64-N155 HydrophobicContact CD1-CB 4.24Å; I64-N155 WeakPolarHBondContact CD1-O 3.23Å; N153-N155 PolarHBondContact O-N 3.24Å; N153-N155 VanDerWaalsContact O-N 3.11Å; N153-N155 WeakPolarHBondContact OD1-CB 3.49Å; N153-N155 PolarHBondContact OD1-N 3.39Å
156D56.2Low60.1Low94 Ų9471.3 Ų71.350%0.50337%0.37SS..G310 helixtrans-83.1-21.3-175.1-69.1-26000113.8N153 P154 R174N153-D156 WeakPolarHBondContact O-CB 3.19Å; N153-D156 PolarHBondContact O-N 2.58Å; P154-D156 PolarHBondContact O-N 2.79Å; D156-R174 PolarHBondContact O-NH2 3.01Å
157H54.9Low59.6Low57 Ų5770.5 Ų70.526%0.26437%0.374SS..THydrogen-bonded Turntrans-122.3-70.3-160.1-64.1-65.6000116.7L138 R174L138-H157 HydrophobicContact CD2-CB 3.74Å; H157-R174 PolarHBondContact O-NH2 3.36Å
158R53.4Low59.5Low8 Ų860.8 Ų60.83%0.0334%0.342CS..THydrogen-bonded Turntrans-85.7-33.2-165.6179.9-172.8174.5-166.53.8113.6W65 E129 R134 V160 L161 W351 S354W65-R158 VanDerWaalsContact CH2-C 3.49Å; W65-R158 HydrophobicContact CH2-CB 3.42Å; W65-R158 VanDerWaalsContact CH2-CB 3.42Å; W65-R158 HydrophobicContact CH2-CG 3.54Å; W65-R158 HydrophobicContact CZ2-CB 3.71Å; W65-R158 HydrophobicContact CZ2-CG 4.34Å; W65-R158 HydrophobicContact CZ3-CG 4.41Å; E129-R158 IonicContact OE1-NH1 2.75Å; E129-R158 IonicContact OE2-NH1 3.28Å; R134-R158 VanDerWaalsContact NH2-NH1 3.17Å; R158-V160 PolarHBondContact O-N 2.8Å; R158-L161 PolarHBondContact O-N 2.84Å; R158-W351 PolarHBondContact NH2-O 2.89Å; R158-S354 PolarHBondContact NH2-O 3.08Å
159G51.8Low59.5Low2 Ų260.6 Ų60.62%0.02135%0.351CS..THydrogen-bonded Turntrans-65.7-27.4-174.800000113.1W65W65-G159 VanDerWaalsContact CZ2-CA 3.49Å
160V47.9Very low59.4Low28 Ų2862.3 Ų62.317%0.1736%0.362CS..THydrogen-bonded Turntrans-84.8-17.9-177.3-168.80000112.6I64 R158 T162 T163 L164 R174I64-V160 HydrophobicContact CD1-CG2 4.44Å; I64-V160 HydrophobicContact CG2-CG2 4.1Å; R158-V160 PolarHBondContact O-N 2.8Å; V160-T162 VanDerWaalsContact C-N 3.34Å; V160-T162 PolarHBondContact O-N 2.85Å; V160-T163 WeakPolarHBondContact CA-OG1 3.38Å; V160-T163 PolarHBondContact O-N 2.91Å; V160-T163 PolarHBondContact O-OG1 2.81Å; V160-T163 VanDerWaalsContact O-OG1 3.11Å; V160-L164 HydrophobicContact CG1-CD1 3.66Å; V160-L164 HydrophobicContact CG1-CG 4.01Å; V160-L164 WeakPolarHBondContact O-CG 3.25Å; V160-L164 PolarHBondContact O-N 2.78Å; V160-R174 VanDerWaalsContact CG1-NH1 3.34Å
161L47.2Very low59Low15 Ų1555.2 Ų55.28%0.07933%0.331CS..THydrogen-bonded Turntrans-71.6-29.4-178.1-74.2174.7000113.1R158 R174 N175 L352R158-L161 PolarHBondContact O-N 2.84Å; L161-R174 HydrophobicContact CD2-CB 3.43Å; L161-R174 VanDerWaalsContact CD2-CB 3.43Å; L161-N175 WeakPolarHBondContact CD2-OD1 3.1Å; L161-L352 HydrophobicContact CD1-CD1 3.61Å; L161-L352 HydrophobicContact CD1-CD2 4.12Å; L161-L352 HydrophobicContact CD1-CG 4.05Å
162T49.4Very low58.6Low93 Ų9362.8 Ų62.857%0.57136%0.359SS*.THydrogen-bonded Turntrans-87.4-17.8178.657.80000113.1V160V160-T162 VanDerWaalsContact C-N 3.34Å; V160-T162 PolarHBondContact O-N 2.85Å
163T46.9Very low58.5Low92 Ų9264 Ų6456%0.56437%0.365SS*.THydrogen-bonded Turntrans-89.2-22.4-178.256.30000113.4V160V160-T163 WeakPolarHBondContact CA-OG1 3.38Å; V160-T163 PolarHBondContact O-N 2.91Å; V160-T163 PolarHBondContact O-OG1 2.81Å; V160-T163 VanDerWaalsContact O-OG1 3.11Å
164L44.2Very low58.7Low59 Ų5963.3 Ų63.331%0.30936%0.356SS..SBendtrans-96.3132.9-179.4-58.9173.7000110.5V160 V166 I170 S171V160-L164 HydrophobicContact CG1-CD1 3.66Å; V160-L164 HydrophobicContact CG1-CG 4.01Å; V160-L164 WeakPolarHBondContact O-CG 3.25Å; V160-L164 PolarHBondContact O-N 2.78Å; L164-V166 PolarHBondContact O-N 2.99Å; L164-I170 HydrophobicContact CD1-CG2 4.09Å; L164-S171 WeakPolarHBondContact CB-OG 3.38Å
165S49.6Very low59.2Low68 Ų6864.9 Ų64.948%0.47636%0.364SS..  trans-52.9139.8176.876.40000109.7S167 S168 S171S165-S167 WeakPolarHBondContact CB-OG 3.22Å; S165-S167 PolarHBondContact O-N 2.71Å; S165-S167 PolarHBondContact OG-OG 3.4Å; S165-S168 PolarHBondContact O-N 2.88Å; S165-S168 PolarHBondContact OG-N 3.46Å; S165-S171 VanDerWaalsContact O-CB 3.27Å; S165-S171 WeakPolarHBondContact O-CB 3.22Å; S165-S171 PolarHBondContact O-OG 2.87Å
166V55.1Low60.2Low122 Ų12268 Ų6874%0.73938%0.376SS*.THydrogen-bonded Turntrans-54.9-20.5177.2-176.20000111.6L164L164-V166 PolarHBondContact O-N 2.99Å
167S56.7Low61.5Low106 Ų10664.8 Ų64.874%0.74137%0.365SS*.THydrogen-bonded Turntrans-83.2-11.7178.354.30000115.9S165S165-S167 WeakPolarHBondContact CB-OG 3.22Å; S165-S167 PolarHBondContact O-N 2.71Å; S165-S167 PolarHBondContact OG-OG 3.4Å
168S65.7Low62.8Low27 Ų2762 Ų6219%0.18935%0.353CS..SBendtrans-75.9134.2177.8106.10000110.3S165 I170 S171 W172S165-S168 PolarHBondContact O-N 2.88Å; S165-S168 PolarHBondContact OG-N 3.46Å; S168-I170 PolarHBondContact O-N 3.14Å; S168-I170 VanDerWaalsContact O-N 3.11Å; S168-S171 WeakPolarHBondContact CB-OG 3.44Å; S168-S171 WeakPolarHBondContact O-CB 3.48Å; S168-S171 PolarHBondContact O-N 2.81Å; S168-S171 PolarHBondContact OG-N 3.23Å; S168-S171 PolarHBondContact OG-OG 3.44Å; S168-W172 PolarHBondContact O-N 2.86Å
169P69.1Low64.4Low106 Ų10664.7 Ų64.769%0.68837%0.367SS*.Hα-helixtrans-54.9-31.7177.9-27.634.5000113.4S173P169-S173 WeakPolarHBondContact O-CB 3.44Å; P169-S173 PolarHBondContact O-N 2.64Å; P169-S173 PolarHBondContact O-OG 2.95Å
170I69.1Low66Low109 Ų10971.8 Ų71.856%0.55939%0.393SS*.Hα-helixtrans-70.5-41.9177.9-61.4172.3000110.9L164 S168 W172 S173 R174L164-I170 HydrophobicContact CD1-CG2 4.09Å; S168-I170 PolarHBondContact O-N 3.14Å; S168-I170 VanDerWaalsContact O-N 3.11Å; I170-W172 VanDerWaalsContact C-N 3.31Å; I170-W172 PolarHBondContact O-N 2.81Å; I170-S173 PolarHBondContact O-OG 3.32Å; I170-R174 VanDerWaalsContact O-CG 3.23Å; I170-R174 WeakPolarHBondContact O-CG 3.45Å; I170-R174 PolarHBondContact O-N 2.83Å; I170-R174 VanDerWaalsContact O-N 3.15Å
171S69.6Low67.9Low0 Ų074.3 Ų74.30%040%0.4CS..Hα-helixtrans-63.2-43.3175-38.20000110.9L164 S165 S168 R174 N175L164-S171 WeakPolarHBondContact CB-OG 3.38Å; S165-S171 VanDerWaalsContact O-CB 3.27Å; S165-S171 WeakPolarHBondContact O-CB 3.22Å; S165-S171 PolarHBondContact O-OG 2.87Å; S168-S171 WeakPolarHBondContact CB-OG 3.44Å; S168-S171 WeakPolarHBondContact O-CB 3.48Å; S168-S171 PolarHBondContact O-N 2.81Å; S168-S171 PolarHBondContact OG-N 3.23Å; S168-S171 PolarHBondContact OG-OG 3.44Å; S171-R174 PolarHBondContact O-N 3.49Å; S171-N175 WeakPolarHBondContact O-CB 3.24Å; S171-N175 PolarHBondContact O-N 2.86Å; S171-N175 PolarHBondContact O-ND2 3.03Å; S171-N175 VanDerWaalsContact O-ND2 3.14Å
172W69.1Low69.9Low168 Ų16873.6 Ų73.664%0.63640%0.396SS*.Hα-helixtrans-64.4-46.5-177.4-176.182.2000111.2S168 I170 R174 N175 F176S168-W172 PolarHBondContact O-N 2.86Å; I170-W172 VanDerWaalsContact C-N 3.31Å; I170-W172 PolarHBondContact O-N 2.81Å; W172-R174 VanDerWaalsContact C-N 3.32Å; W172-R174 PolarHBondContact O-N 3.08Å; W172-N175 PolarHBondContact O-N 3.39Å; W172-F176 VanDerWaalsContact O-CB 3.31Å; W172-F176 WeakPolarHBondContact O-CB 3.31Å; W172-F176 PolarHBondContact O-N 3.29Å
173S74.9Confident71.8Confident63 Ų6370.2 Ų70.244%0.44138%0.375SS..Hα-helixtrans-62.3-38.5177.368.10000112.4P169 I170 G177P169-S173 WeakPolarHBondContact O-CB 3.44Å; P169-S173 PolarHBondContact O-N 2.64Å; P169-S173 PolarHBondContact O-OG 2.95Å; I170-S173 PolarHBondContact O-OG 3.32Å; S173-G177 PolarHBondContact O-N 3.29Å
174R74.6Confident73.8Confident65 Ų6571.3 Ų71.325%0.24537%0.369CS..Hα-helixtrans-68.5-44.6176.4-68.6174.668.3131.611.6112.5D156 H157 V160 L161 I170 S171 W172 G177 A178D156-R174 PolarHBondContact O-NH2 3.01Å; H157-R174 PolarHBondContact O-NH2 3.36Å; V160-R174 VanDerWaalsContact CG1-NH1 3.34Å; L161-R174 HydrophobicContact CD2-CB 3.43Å; L161-R174 VanDerWaalsContact CD2-CB 3.43Å; I170-R174 VanDerWaalsContact O-CG 3.23Å; I170-R174 WeakPolarHBondContact O-CG 3.45Å; I170-R174 PolarHBondContact O-N 2.83Å; I170-R174 VanDerWaalsContact O-N 3.15Å; S171-R174 PolarHBondContact O-N 3.49Å; W172-R174 VanDerWaalsContact C-N 3.32Å; W172-R174 PolarHBondContact O-N 3.08Å; R174-G177 PolarHBondContact O-N 3.33Å; R174-A178 WeakPolarHBondContact O-CB 3.36Å; R174-A178 PolarHBondContact O-N 3.23Å
175N76.8Confident75.9Confident40 Ų4069.1 Ų69.121%0.21436%0.357CS..Hα-helixtrans-62.9-43175.5-82.3-46.1000111.6L161 S171 W172 G177 A178 L179L161-N175 WeakPolarHBondContact CD2-OD1 3.1Å; S171-N175 WeakPolarHBondContact O-CB 3.24Å; S171-N175 PolarHBondContact O-N 2.86Å; S171-N175 PolarHBondContact O-ND2 3.03Å; S171-N175 VanDerWaalsContact O-ND2 3.14Å; W172-N175 PolarHBondContact O-N 3.39Å; N175-G177 VanDerWaalsContact C-N 3.35Å; N175-A178 WeakPolarHBondContact O-CB 3.34Å; N175-A178 PolarHBondContact O-N 3.5Å; N175-L179 WeakPolarHBondContact O-CB 3.32Å; N175-L179 PolarHBondContact O-N 2.86Å
176F81.7Confident77.8Confident106 Ų10668.6 Ų68.647%0.46534%0.344SS..Hα-helixtrans-63.3-42.5174.6-176.4-96.1000111.3W172 A178 L179 W180W172-F176 VanDerWaalsContact O-CB 3.31Å; W172-F176 WeakPolarHBondContact O-CB 3.31Å; W172-F176 PolarHBondContact O-N 3.29Å; F176-A178 VanDerWaalsContact C-N 3.35Å; F176-A178 PolarHBondContact O-N 3.38Å; F176-L179 PolarHBondContact O-N 3.38Å; F176-W180 WeakPolarHBondContact O-CB 3.22Å; F176-W180 PolarHBondContact O-N 2.87Å
177G83.7Confident79.4Confident26 Ų2667.6 Ų67.627%0.26833%0.334SS..Hα-helixtrans-62.7-37.9175.100000113.3S173 R174 N175 R181S173-G177 PolarHBondContact O-N 3.29Å; R174-G177 PolarHBondContact O-N 3.33Å; N175-G177 VanDerWaalsContact C-N 3.35Å; G177-R181 WeakPolarHBondContact O-CB 3.29Å; G177-R181 VanDerWaalsContact O-CG 3.3Å; G177-R181 WeakPolarHBondContact O-CG 3.46Å; G177-R181 PolarHBondContact O-N 3.28Å; G177-R181 PolarHBondContact O-NE 3.23Å; G177-R181 VanDerWaalsContact O-NE 3.09Å
178A82.9Confident80.8Confident0 Ų070.3 Ų70.30%033%0.328CS..Hα-helixtrans-62.8-49171.500000111.8E137 R174 N175 F176 W180 R181 S182 F348 L352E137-A178 VanDerWaalsContact OE1-CB 3.23Å; E137-A178 WeakPolarHBondContact OE1-CB 3.46Å; R174-A178 WeakPolarHBondContact O-CB 3.36Å; R174-A178 PolarHBondContact O-N 3.23Å; N175-A178 WeakPolarHBondContact O-CB 3.34Å; N175-A178 PolarHBondContact O-N 3.5Å; F176-A178 VanDerWaalsContact C-N 3.35Å; F176-A178 PolarHBondContact O-N 3.38Å; A178-W180 PolarHBondContact O-N 3Å; A178-R181 VanDerWaalsContact CA-NH2 3.26Å; A178-R181 PolarHBondContact O-N 3.45Å; A178-S182 PolarHBondContact O-N 2.96Å; A178-F348 HydrophobicContact CB-CE1 4.15Å; A178-F348 HydrophobicContact CB-CZ 4.12Å; A178-F348 WeakPolarHBondContact O-CE1 3.44Å; A178-L352 HydrophobicContact CB-CD2 4.1Å
179L85.8Confident81.8Confident63 Ų6369.3 Ų69.333%0.3332%0.322SS..Hα-helixtrans-59.8-46.2177.6-174.568.1000111.6N175 F176 R181 S182 T183 I345N175-L179 WeakPolarHBondContact O-CB 3.32Å; N175-L179 PolarHBondContact O-N 2.86Å; F176-L179 PolarHBondContact O-N 3.38Å; L179-R181 VanDerWaalsContact C-N 3.34Å; L179-R181 PolarHBondContact O-N 3.38Å; L179-S182 PolarHBondContact O-N 2.8Å; L179-T183 PolarHBondContact O-N 3.33Å; L179-T183 PolarHBondContact O-OG1 3.27Å; L179-I345 HydrophobicContact CD1-CD1 3.92Å; L179-I345 HydrophobicContact CD1-CG2 3.64Å
180W86.8Confident82.4Confident152 Ų15266 Ų6658%0.57630%0.301SS*.Hα-helixtrans-59.5-43.2177.6-176.3-101.3000112.1F176 A178 T183 W184F176-W180 WeakPolarHBondContact O-CB 3.22Å; F176-W180 PolarHBondContact O-N 2.87Å; A178-W180 PolarHBondContact O-N 3Å; W180-T183 PolarHBondContact O-N 2.9Å; W180-W184 WeakPolarHBondContact O-CB 3.17Å; W180-W184 PolarHBondContact O-N 2.73Å
181R86.9Confident82.8Confident81 Ų8164.2 Ų64.231%0.30629%0.29SS..Hα-helixtrans-62-43.7175-76.5177.5-70.1136.3-3111.8I136 E137 G177 A178 L179 W184 Y185I136-R181 HydrophobicContact CG2-CB 4.17Å; I136-R181 PolarHBondContact O-NH1 2.96Å; E137-R181 VanDerWaalsContact CA-NH1 3.28Å; E137-R181 PolarHBondContact O-NH1 3.13Å; E137-R181 IonicContact OE1-NH2 3.91Å; E137-R181 IonicContact OE2-CZ 3.03Å; E137-R181 VanDerWaalsContact OE2-CZ 3.3Å; E137-R181 IonicContact OE2-NH1 3.79Å; E137-R181 PolarHBondContact OE2-NH1 3.42Å; E137-R181 IonicContact OE2-NH2 2.87Å; E137-R181 PolarHBondContact OE2-NH2 2.87Å; G177-R181 WeakPolarHBondContact O-CB 3.29Å; G177-R181 VanDerWaalsContact O-CG 3.3Å; G177-R181 WeakPolarHBondContact O-CG 3.46Å; G177-R181 PolarHBondContact O-N 3.28Å; G177-R181 PolarHBondContact O-NE 3.23Å; G177-R181 VanDerWaalsContact O-NE 3.09Å; A178-R181 VanDerWaalsContact CA-NH2 3.26Å; A178-R181 PolarHBondContact O-N 3.45Å; L179-R181 VanDerWaalsContact C-N 3.34Å; L179-R181 PolarHBondContact O-N 3.38Å; R181-W184 PolarHBondContact O-N 3.02Å; R181-Y185 VanDerWaalsContact O-CB 3.24Å; R181-Y185 WeakPolarHBondContact O-CB 3.04Å; R181-Y185 PolarHBondContact O-N 3.25Å
182S88.4Confident82.5Confident0 Ų070.8 Ų70.80%033%0.325CS..Hα-helixtrans-62.4-45.8174.8165.20000111.8A178 L179 W184 Y185 W186 H344 F348A178-S182 PolarHBondContact O-N 2.96Å; L179-S182 PolarHBondContact O-N 2.8Å; S182-W184 VanDerWaalsContact C-N 3.34Å; S182-W184 PolarHBondContact O-N 3.07Å; S182-Y185 WeakPolarHBondContact O-CB 3.33Å; S182-Y185 PolarHBondContact O-N 2.86Å; S182-W186 PolarHBondContact O-N 3.34Å; S182-H344 PolarHBondContact OG-CD2 2.77Å; S182-H344 PolarHBondContact OG-NE2 3.17Å; S182-F348 VanDerWaalsContact CB-CD1 3.46Å
183T90.5Very high82Confident22 Ų2264.3 Ų64.314%0.13530%0.303CS..Hα-helixtrans-58.1-47.5176.2-63.10000111.5L179 W180 W186 L187 Y341L179-T183 PolarHBondContact O-N 3.33Å; L179-T183 PolarHBondContact O-OG1 3.27Å; W180-T183 PolarHBondContact O-N 2.9Å; T183-W186 PolarHBondContact O-N 3.39Å; T183-L187 HydrophobicContact CG2-CD1 4.09Å; T183-L187 WeakPolarHBondContact O-CG 3.32Å; T183-L187 PolarHBondContact O-N 2.87Å; T183-Y341 HydrophobicContact CG2-CE2 3.86Å; T183-Y341 VanDerWaalsContact CG2-OH 3.23Å; T183-Y341 WeakPolarHBondContact CG2-OH 3.43Å; T183-Y341 PolarHBondContact OG1-OH 3.37Å
184W88.8Confident80.9Confident115 Ų11566.3 Ų66.344%0.43631%0.313SS..Hα-helixtrans-67.3-39.3-179.8-165.9-117.7000112.7W180 R181 S182 L187 R188W180-W184 WeakPolarHBondContact O-CB 3.17Å; W180-W184 PolarHBondContact O-N 2.73Å; R181-W184 PolarHBondContact O-N 3.02Å; S182-W184 VanDerWaalsContact C-N 3.34Å; S182-W184 PolarHBondContact O-N 3.07Å; W184-L187 HydrophobicContact CE3-CD1 4.36Å; W184-L187 PolarHBondContact O-N 2.85Å; W184-R188 VanDerWaalsContact CE2-CZ 3.46Å; W184-R188 WeakPolarHBondContact O-CB 3.37Å; W184-R188 PolarHBondContact O-N 3.22Å; W184-R188 VanDerWaalsContact O-N 3.08Å
185Y88.8Confident79.6Confident13 Ų1372 Ų725%0.05134%0.342CS..Hα-helixtrans-56.9-52.5172.9-179.5-86.7000110I136 R181 S182 L187 R188 S189 K223 S224I136-Y185 HydrophobicContact CD1-CD1 3.67Å; I136-Y185 HydrophobicContact CD1-CD2 4.37Å; I136-Y185 HydrophobicContact CD1-CE1 4.13Å; I136-Y185 HydrophobicContact CD1-CG 3.82Å; I136-Y185 HydrophobicContact CG1-CD1 3.77Å; I136-Y185 HydrophobicContact CG1-CD2 3.53Å; I136-Y185 HydrophobicContact CG1-CE1 4.24Å; I136-Y185 HydrophobicContact CG1-CE2 3.98Å; I136-Y185 HydrophobicContact CG1-CG 3.39Å; R181-Y185 VanDerWaalsContact O-CB 3.24Å; R181-Y185 WeakPolarHBondContact O-CB 3.04Å; R181-Y185 PolarHBondContact O-N 3.25Å; S182-Y185 WeakPolarHBondContact O-CB 3.33Å; S182-Y185 PolarHBondContact O-N 2.86Å; Y185-L187 PolarHBondContact O-N 2.87Å; Y185-R188 PolarHBondContact O-N 2.8Å; Y185-S189 WeakPolarHBondContact O-CB 3.35Å; Y185-S189 PolarHBondContact O-N 3.39Å; Y185-S189 PolarHBondContact O-OG 3.42Å; Y185-K223 HydrophobicContact CD2-CD 3.95Å; Y185-K223 HydrophobicContact CE2-CB 4.43Å; Y185-K223 HydrophobicContact CE2-CD 3.84Å; Y185-S224 PolarHBondContact OH-O 2.96Å
186W89.2Confident78.3Confident56 Ų5674 Ų7421%0.21235%0.352CS..Hα-helixtrans-54.7-57.6178-169.790.2000109.5S182 T183 R188 S189 R225 Y341 H344S182-W186 PolarHBondContact O-N 3.34Å; T183-W186 PolarHBondContact O-N 3.39Å; W186-R188 PolarHBondContact O-N 3.14Å; W186-S189 WeakPolarHBondContact CA-OG 3.16Å; W186-S189 PolarHBondContact O-N 2.95Å; W186-S189 VanDerWaalsContact O-N 3.16Å; W186-S189 PolarHBondContact O-OG 3.01Å; W186-R225 VanDerWaalsContact CE2-NH1 3.35Å; W186-R225 PolarHBondContact O-NE 2.84Å; W186-R225 PolarHBondContact O-NH2 2.83Å; W186-Y341 HydrophobicContact CB-CD2 4.35Å; W186-Y341 AromaticContact CD2-CD2 3.7Å; W186-Y341 HydrophobicContact CD2-CD2 3.7Å; W186-Y341 HydrophobicContact CD2-CG 4.4Å; W186-Y341 AromaticContact CE3-CD2 3.64Å; W186-Y341 HydrophobicContact CE3-CD2 3.64Å; W186-Y341 HydrophobicContact CE3-CG 4.27Å; W186-Y341 HydrophobicContact CG-CD2 4Å; W186-Y341 HydrophobicContact CZ3-CD2 4.21Å; W186-Y341 HydrophobicContact CZ3-CG 4.41Å; W186-H344 AromaticContact CD1-CD2 3.78Å; W186-H344 AromaticContact CD1-CG 3.54Å; W186-H344 AromaticContact CD1-ND1 3.83Å
187L88.6Confident76.6Confident101 Ų10172 Ų7253%0.52934%0.342SS..Hα-helixtrans-54.7-34.5-177.2-70.7170000114.7T183 W184 Y185T183-L187 HydrophobicContact CG2-CD1 4.09Å; T183-L187 WeakPolarHBondContact O-CG 3.32Å; T183-L187 PolarHBondContact O-N 2.87Å; W184-L187 HydrophobicContact CE3-CD1 4.36Å; W184-L187 PolarHBondContact O-N 2.85Å; Y185-L187 PolarHBondContact O-N 2.87Å
188R86.6Confident74.3Confident163 Ų16376 Ų7662%0.61536%0.363SS*.Hα-helixtrans-93.5-14.9-177.2-72.4-169.8165.8-167.4-5.5115.4W184 Y185 W186W184-R188 VanDerWaalsContact CE2-CZ 3.46Å; W184-R188 WeakPolarHBondContact O-CB 3.37Å; W184-R188 PolarHBondContact O-N 3.22Å; W184-R188 VanDerWaalsContact O-N 3.08Å; Y185-R188 PolarHBondContact O-N 2.8Å; W186-R188 PolarHBondContact O-N 3.14Å
189S86.1Confident71.9Confident7 Ų783.3 Ų83.35%0.04940%0.397CS..  trans-90.3157.9-178.651.30000111.4Y185 W186 K223 R225Y185-S189 WeakPolarHBondContact O-CB 3.35Å; Y185-S189 PolarHBondContact O-N 3.39Å; Y185-S189 PolarHBondContact O-OG 3.42Å; W186-S189 WeakPolarHBondContact CA-OG 3.16Å; W186-S189 PolarHBondContact O-N 2.95Å; W186-S189 VanDerWaalsContact O-N 3.16Å; W186-S189 PolarHBondContact O-OG 3.01Å; S189-K223 CarbonylContact C-O 3.55Å; S189-K223 WeakPolarHBondContact CA-O 3.36Å; S189-K223 WeakPolarHBondContact CB-O 3.16Å; S189-R225 VanDerWaalsContact CB-CG 3.43Å; S189-R225 VanDerWaalsContact O-CZ 3.22Å; S189-R225 PolarHBondContact O-NE 3.13Å; S189-R225 PolarHBondContact O-NH2 2.92Å; S189-R225 WeakPolarHBondContact OG-CD 3.33Å; S189-R225 WeakPolarHBondContact OG-CG 3.44Å; S189-R225 PolarHBondContact OG-NE 3.31Å
190S82.5Confident69.3Low35 Ų3587.7 Ų87.725%0.24542%0.42CS..BIsolated β-bridgetrans-116.7154.4176.5-172.50000110N192 K223 S224 R225S190-N192 VanDerWaalsContact C-N 3.33Å; S190-N192 PolarHBondContact OG-N 2.7Å; S190-K223 PolarHBondContact N-O 3.11Å; S190-S224 CarbonylContact O-C 3.58Å; S190-S224 WeakPolarHBondContact O-CA 3.19Å; S190-R225 PolarHBondContact O-N 3.04Å
191E76.4Confident66.7Low72 Ų7286.9 Ų86.934%0.33643%0.428SS..  trans-84.5-12171.7-160.1-177.8151.700112.3N193 V226 K317E191-N193 PolarHBondContact O-N 3.14Å; E191-V226 HydrophobicContact CG-CG1 4.26Å; E191-V226 HydrophobicContact CG-CG2 4.36Å; E191-K317 WeakPolarHBondContact OE1-CD 3.44Å; E191-K317 VanDerWaalsContact OE1-CE 3.32Å; E191-K317 WeakPolarHBondContact OE1-CE 3.3Å; E191-K317 IonicContact OE1-NZ 3.21Å; E191-K317 PolarHBondContact OE1-NZ 3.4Å
192N63.9Low64Low139 Ų13987.7 Ų87.774%0.74345%0.445SS*.  trans-73.9100.1-174-68.23.2000110.5S190S190-N192 VanDerWaalsContact C-N 3.33Å; S190-N192 PolarHBondContact OG-N 2.7Å
193N58.8Low61.1Low32 Ų3296.4 Ų96.417%0.17148%0.483CS..  trans-79.5114.7158.2-73.1-21.3000107.1E191 Q195 S224 V226 E316E191-N193 PolarHBondContact O-N 3.14Å; N193-Q195 PolarHBondContact O-N 2.63Å; N193-Q195 VanDerWaalsContact O-N 3.14Å; N193-S224 PolarHBondContact OD1-OG 3.24Å; N193-V226 WeakPolarHBondContact ND2-CG2 3.26Å; N193-E316 PolarHBondContact ND2-O 2.8Å
194T50.9Low58.2Low105 Ų105101.7 Ų101.764%0.64452%0.516SS*.  trans-52.7120.9160.132.40000107I196T194-I196 WeakPolarHBondContact O-CG1 3.3Å; T194-I196 PolarHBondContact O-N 3.37Å
195Q47.7Very low55.4Low185 Ų185101.2 Ų101.286%0.86453%0.53SS*.  trans-57109.9179.4-70.1172.9-27.200108.6N193N193-Q195 PolarHBondContact O-N 2.63Å; N193-Q195 VanDerWaalsContact O-N 3.14Å
196I49.9Very low52.6Low81 Ų81105.6 Ų105.642%0.41556%0.562SS.*  trans-97.5-18.2-178-72.2159.8000111.7T194 P198 G376 Q377T194-I196 WeakPolarHBondContact O-CG1 3.3Å; T194-I196 PolarHBondContact O-N 3.37Å; I196-P198 WeakPolarHBondContact O-CD 3.39Å; I196-G376 WeakPolarHBondContact CD1-O 3.31Å; I196-Q377 HydrophobicContact CD1-CG 3.74Å
197Y45.2Very low49.9Very low64 Ų64110.1 Ų110.125%0.25159%0.591SS.*SBendtrans-83.1111.6174.8-68.6-74000109.4H199 L228 R230 F374Y197-H199 PolarHBondContact O-N 3.02Å; Y197-H199 VanDerWaalsContact O-N 3.08Å; Y197-L228 HydrophobicContact CD2-CD1 4.4Å; Y197-L228 HydrophobicContact CD2-CD2 4.22Å; Y197-L228 HydrophobicContact CE2-CD1 4.17Å; Y197-L228 HydrophobicContact CE2-CD2 4.05Å; Y197-L228 HydrophobicContact CE2-CG 4.04Å; Y197-R230 HydrophobicContact CE1-CB 4.16Å; Y197-R230 HydrophobicContact CE2-CB 4.38Å; Y197-R230 WeakPolarHBondContact OH-CB 3.12Å; Y197-F374 PolarHBondContact OH-O 3.46Å
198P36.2Very low47.4Very low110 Ų110114 Ų11471%0.71460%0.604SS**  trans-62115.3164.426.8-30.6000106.5I196 D200I196-P198 WeakPolarHBondContact O-CD 3.39Å; P198-D200 PolarHBondContact O-N 3.22Å; P198-D200 VanDerWaalsContact O-N 3.14Å
199H32.5Very low44.8Very low154 Ų154115.2 Ų115.271%0.71361%0.614SS**  trans-58.6118.2161.1-96.7-92.5000106.4Y197 D201Y197-H199 PolarHBondContact O-N 3.02Å; Y197-H199 VanDerWaalsContact O-N 3.08Å; H199-D201 PolarHBondContact O-N 3.33Å
200D31.2Very low42.3Very low154 Ų154119.1 Ų119.182%0.82465%0.647SS**  trans-68.154164.8-90.3-31.1000109.9P198 S202P198-D200 PolarHBondContact O-N 3.22Å; P198-D200 VanDerWaalsContact O-N 3.14Å; D200-S202 PolarHBondContact O-N 3.37Å; D200-S202 VanDerWaalsContact O-N 3.09Å
201D32.1Very low39.8Very low136 Ų136125.8 Ų125.873%0.72768%0.679SS**  trans-8669.2162.8-73.3-16.8000107.2H199 K203H199-D201 PolarHBondContact O-N 3.33Å; D201-K203 PolarHBondContact O-N 2.95Å
202S29.6Very low37.6Very low97 Ų97126.5 Ų126.568%0.67869%0.693SS**  trans-60.7103.3157.571.10000107.8D200D200-S202 PolarHBondContact O-N 3.37Å; D200-S202 VanDerWaalsContact O-N 3.09Å
203K29Very low35.9Very low183 Ų183125.5 Ų125.580%0.79670%0.696SS**  158.3119.3125.5-85.1166.7-176.9175.50112.5D201D201-K203 PolarHBondContact O-N 2.95Å
204T28.3Very low34.6Very low134 Ų134129 Ų12982%0.82272%0.719SS**  trans83.688.2147.9-17.40000117.4
205S30.2Very low33.5Very low104 Ų104130.1 Ų130.173%0.72773%0.725SS**  -165.5114.8109.352.20000109.9N207S205-N207 PolarHBondContact O-N 3.35Å
206S30.7Very low32.9Very low105 Ų105128.6 Ų128.673%0.73472%0.722SS**  trans-62.8107.4167.949.40000110.1
207N31.7Very low32.1Very low152 Ų152128.6 Ų128.681%0.81373%0.729SS**  trans-118.677.9152.6-76.9-25.9000107.3S205S205-N207 PolarHBondContact O-N 3.35Å
208F37.2Very low31.8Very low181 Ų181134.5 Ų134.579%0.79476%0.759SS**  trans-56.6141.3155.6-113.5-108.4000107.7
209F30.9Very low32.2Very low189 Ų189137.7 Ų137.783%0.82976%0.762SS**  trans89.786179.3-50.6-71.1000117.2
210A32.7Very low33.1Very low89 Ų89139.7 Ų139.774%0.73677%0.768SS**  -158.699128.100000108.5S212A210-S212 PolarHBondContact O-N 2.82Å
211D30.4Very low34.7Very low175 Ų175136.9 Ų136.994%0.93675%0.75SS**  trans-59.285.4162.3-74.8-38.9000108.8
212S30.2Very low36.6Very low88 Ų88137.5 Ų137.562%0.61575%0.746SS**  trans-107.7104154.762.50000105.7A210 V214A210-S212 PolarHBondContact O-N 2.82Å; S212-V214 PolarHBondContact O-N 3.22Å
213S29Very low39Very low117 Ų117135.5 Ų135.582%0.81873%0.725SS**  trans-6184.4162.2400000106.4T215S213-T215 PolarHBondContact O-N 2.77Å
214V31.7Very low41.5Very low107 Ų107127.2 Ų127.265%0.64869%0.69SS**  trans-65.890.4167.5178.10000104.3S212 I216S212-V214 PolarHBondContact O-N 3.22Å; V214-I216 PolarHBondContact O-N 2.75Å
215T27.5Very low44.3Very low127 Ų127123.5 Ų123.578%0.77966%0.661SS**  trans-46101.8153.519.50000105.3S213 S217S213-T215 PolarHBondContact O-N 2.77Å; T215-S217 PolarHBondContact O-N 3.27Å
216I34.6Very low47.2Very low153 Ų153118.9 Ų118.979%0.78563%0.629SS**  trans-64.580.6167.4-59.6173000103.5V214 E218V214-I216 PolarHBondContact O-N 2.75Å; I216-E218 PolarHBondContact O-N 2.92Å
217S34.4Very low50.1Low82 Ų82114.1 Ų114.157%0.57360%0.595SS**  trans-53.2120.5167.2125.60000103.5T215 K219T215-S217 PolarHBondContact O-N 3.27Å; S217-K219 PolarHBondContact O-N 2.87Å
218E38.4Very low52.9Low187 Ų187107.6 Ų107.687%0.87456%0.56SS**  trans-57.974.7173.1-66.3176.1165.700107.7I216 K220I216-E218 PolarHBondContact O-N 2.92Å; E218-K220 VanDerWaalsContact C-N 3.27Å; E218-K220 PolarHBondContact O-N 2.99Å
219K43.9Very low55.6Low178 Ų17899 Ų9977%0.77452%0.522SS*.  trans-64.8100.4173.2-80.5-179.4179.9172.10103.3S217 Q221S217-K219 PolarHBondContact O-N 2.87Å; K219-Q221 PolarHBondContact O-N 2.76Å
220K52.1Low58.7Low196 Ų19692.7 Ų92.785%0.85249%0.493SS*.  trans-32.2110.9169.9-77.2-177.3174.6178.80107.8E218 K222E218-K220 VanDerWaalsContact C-N 3.27Å; E218-K220 PolarHBondContact O-N 2.99Å; K220-K222 PolarHBondContact O-N 3.3Å
221Q63.4Low61.6Low95 Ų9588.5 Ų88.544%0.44446%0.458SS..  trans-53.3111.8-174.5-71.3177.1-9.300107.5F142 G143 K219F142-Q221 HydrophobicContact CE1-CB 4.18Å; F142-Q221 HydrophobicContact CE2-CG 4.48Å; F142-Q221 HydrophobicContact CZ-CB 3.99Å; F142-Q221 HydrophobicContact CZ-CG 3.94Å; G143-Q221 WeakPolarHBondContact CA-O 3.28Å; K219-Q221 PolarHBondContact O-N 2.76Å
222K72Confident64.7Low149 Ų14981.5 Ų81.565%0.64842%0.422SS*.PPolyproline II helixtrans-77.2144.4179.2-73.3-175179.5179.90108.2K220 S224K220-K222 PolarHBondContact O-N 3.3Å; K222-S224 PolarHBondContact O-N 2.81Å
223K80.1Confident67.8Low54 Ų5478.9 Ų78.924%0.23540%0.398CS..PPolyproline II helixtrans-55.9135.9173.4-67.2-167.5171.2-154.70110.9F142 G143 Y185 S189 S190F142-K223 VanDerWaalsContact O-CA 3.29Å; F142-K223 WeakPolarHBondContact O-CA 3.42Å; G143-K223 WeakPolarHBondContact O-CG 3.43Å; Y185-K223 HydrophobicContact CD2-CD 3.95Å; Y185-K223 HydrophobicContact CE2-CB 4.43Å; Y185-K223 HydrophobicContact CE2-CD 3.84Å; S189-K223 CarbonylContact C-O 3.55Å; S189-K223 WeakPolarHBondContact CA-O 3.36Å; S189-K223 WeakPolarHBondContact CB-O 3.16Å; S190-K223 PolarHBondContact N-O 3.11Å
224S83.2Confident70.8Confident9 Ų973.6 Ų73.66%0.06336%0.361CS..BIsolated β-bridgetrans-87.4137.4175.9-171.70000111.5Y185 S190 N193 K222 V226Y185-S224 PolarHBondContact OH-O 2.96Å; S190-S224 CarbonylContact O-C 3.58Å; S190-S224 WeakPolarHBondContact O-CA 3.19Å; N193-S224 PolarHBondContact OD1-OG 3.24Å; K222-S224 PolarHBondContact O-N 2.81Å; S224-V226 VanDerWaalsContact C-N 3.28Å; S224-V226 PolarHBondContact OG-N 3.21Å; S224-V226 PolarHBondContact OG-O 2.77Å
225R86.6Confident73.7Confident56 Ų5670.1 Ų70.121%0.21134%0.341CS..SBendtrans-81.2-10.3173.4-72.5-174.8-170164.55.8113.5I132 W186 S189 S190I132-R225 WeakPolarHBondContact CD1-O 3.2Å; W186-R225 VanDerWaalsContact CE2-NH1 3.35Å; W186-R225 PolarHBondContact O-NE 2.84Å; W186-R225 PolarHBondContact O-NH2 2.83Å; S189-R225 VanDerWaalsContact CB-CG 3.43Å; S189-R225 VanDerWaalsContact O-CZ 3.22Å; S189-R225 PolarHBondContact O-NE 3.13Å; S189-R225 PolarHBondContact O-NH2 2.92Å; S189-R225 WeakPolarHBondContact OG-CD 3.33Å; S189-R225 WeakPolarHBondContact OG-CG 3.44Å; S189-R225 PolarHBondContact OG-NE 3.31Å; S190-R225 PolarHBondContact O-N 3.04Å
226V90.4Very high76.6Confident7 Ų767.4 Ų67.44%0.04232%0.321CS..SBendtrans-136.8149-169.7-70.30000110.3E191 N193 S224 K317 A318 H337E191-V226 HydrophobicContact CG-CG1 4.26Å; E191-V226 HydrophobicContact CG-CG2 4.36Å; N193-V226 WeakPolarHBondContact ND2-CG2 3.26Å; S224-V226 VanDerWaalsContact C-N 3.28Å; S224-V226 PolarHBondContact OG-N 3.21Å; S224-V226 PolarHBondContact OG-O 2.77Å; V226-K317 HydrophobicContact CG1-CB 4.32Å; V226-A318 CarbonylContact C-O 3.57Å; V226-A318 VanDerWaalsContact CA-O 3.3Å; V226-A318 WeakPolarHBondContact CA-O 3.12Å; V226-H337 HydrophobicContact CG1-CB 3.91Å
227K91.3Very high79Confident6 Ų661.1 Ų61.13%0.02629%0.29CS..EExtended strand (participates in β ladder)trans-96132.1170.7-56.7-59.2-176.3-178.60108.8W130 I132 D135 A318 F321 E381W130-K227 HydrophobicContact CH2-CB 4.34Å; W130-K227 HydrophobicContact CZ2-CB 4.46Å; W130-K227 HydrophobicContact CZ2-CD 3.99Å; I132-K227 HydrophobicContact CG2-CD 4.3Å; I132-K227 HydrophobicContact CG2-CG 4.28Å; D135-K227 WeakPolarHBondContact OD2-CE 3.19Å; D135-K227 IonicContact OD2-NZ 2.64Å; D135-K227 PolarHBondContact OD2-NZ 3.01Å; K227-A318 PolarHBondContact N-O 2.79Å; K227-A318 PolarHBondContact O-N 3.39Å; K227-F321 HydrophobicContact CB-CD2 4.45Å; K227-F321 HydrophobicContact CB-CE2 3.84Å; K227-E381 IonicContact NZ-OE1 2.83Å; K227-E381 PolarHBondContact NZ-OE1 2.82Å; K227-E381 IonicContact NZ-OE2 3.49Å; K227-E381 PolarHBondContact NZ-OE2 3.27Å
228L91.8Very high81Confident15 Ų1563.4 Ų63.48%0.07930%0.301CS..EExtended strand (participates in β ladder)trans-104130.1170.8167.569.7000107.6W130 Y197 V315 E316 G376W130-L228 WeakPolarHBondContact CH2-O 3.4Å; Y197-L228 HydrophobicContact CD2-CD1 4.4Å; Y197-L228 HydrophobicContact CD2-CD2 4.22Å; Y197-L228 HydrophobicContact CE2-CD1 4.17Å; Y197-L228 HydrophobicContact CE2-CD2 4.05Å; Y197-L228 HydrophobicContact CE2-CG 4.04Å; L228-V315 WeakPolarHBondContact CA-O 3.18Å; L228-E316 HydrophobicContact CD1-CB 4.4Å; L228-E316 HydrophobicContact CD1-CG 4.4Å; L228-G376 PolarHBondContact O-N 3.23Å
229A93.7Very high82.7Confident0 Ų055.6 Ų55.60%027%0.271CS..EExtended strand (participates in β ladder)trans-148.3146.6176.400000111.6W130 V315 F321 L373 F374W130-A229 HydrophobicContact CH2-CB 4.35Å; W130-A229 HydrophobicContact CZ3-CB 3.75Å; A229-V315 PolarHBondContact N-O 3.32Å; A229-V315 PolarHBondContact O-N 3.17Å; A229-F321 HydrophobicContact CB-CE1 4.29Å; A229-F321 HydrophobicContact CB-CE2 3.67Å; A229-F321 HydrophobicContact CB-CZ 3.48Å; A229-F321 VanDerWaalsContact CB-CZ 3.48Å; A229-L373 HydrophobicContact CB-CD1 3.8Å; A229-F374 CarbonylContact C-O 3.55Å; A229-F374 VanDerWaalsContact CA-O 3.28Å; A229-F374 WeakPolarHBondContact CA-O 3.23Å
230R94.9Very high84.4Confident57 Ų5747.2 Ų47.222%0.21523%0.234CC..EExtended strand (participates in β ladder)trans-101131.1165.3178179.677.4164.3-4.4108D107 Y197 E312 V314 F374D107-R230 IonicContact OD1-NH2 2.81Å; D107-R230 PolarHBondContact OD1-NH2 2.87Å; D107-R230 IonicContact OD2-NH2 3.83Å; Y197-R230 HydrophobicContact CE1-CB 4.16Å; Y197-R230 HydrophobicContact CE2-CB 4.38Å; Y197-R230 WeakPolarHBondContact OH-CB 3.12Å; R230-E312 WeakPolarHBondContact CD-OE1 3.36Å; R230-E312 HydrophobicContact CG-CG 4.39Å; R230-V314 HydrophobicContact CG-CG2 4.26Å; R230-F374 HydrophobicContact CB-CB 4.1Å; R230-F374 PolarHBondContact N-O 3.45Å; R230-F374 WeakPolarHBondContact O-CB 3.48Å; R230-F374 PolarHBondContact O-N 3.34Å
231L95.2Very high85.5Confident0 Ų039 Ų390%020%0.202CC..EExtended strand (participates in β ladder)trans-117.6131.3-176.9-58.3169.1000108.4E312 L313 V315 F321 L332 I334 L371 R372 L373L231-E312 CarbonylContact O-C 3.49Å; L231-E312 WeakPolarHBondContact O-CA 3.24Å; L231-L313 HydrophobicContact CB-CB 4.38Å; L231-L313 WeakPolarHBondContact CB-O 3.48Å; L231-L313 HydrophobicContact CD1-CD2 4.17Å; L231-L313 PolarHBondContact N-O 3.4Å; L231-L313 PolarHBondContact O-N 3.13Å; L231-V315 HydrophobicContact CD1-CG2 3.73Å; L231-V315 HydrophobicContact CG-CG2 4.49Å; L231-F321 HydrophobicContact CD1-CE1 4.18Å; L231-L332 HydrophobicContact CD1-CD2 3.79Å; L231-L332 HydrophobicContact CD2-CD2 4.27Å; L231-I334 HydrophobicContact CD1-CD1 4Å; L231-L371 HydrophobicContact CD2-CD1 4.31Å; L231-R372 WeakPolarHBondContact CA-O 3.27Å; L231-L373 HydrophobicContact CD2-CB 4.38Å; L231-L373 HydrophobicContact CD2-CD1 3.29Å; L231-L373 HydrophobicContact CD2-CG 4.44Å
232T94.8Very high86.2Confident28 Ų2840.8 Ų40.817%0.17221%0.208CC..EExtended strand (participates in β ladder)trans-118.8123.516564.80000108.2K311 E312 R372 F374T232-K311 CarbonylContact C-O 3.56Å; T232-K311 WeakPolarHBondContact CA-O 3.29Å; T232-E312 HydrophobicContact CG2-CG 4.21Å; T232-R372 PolarHBondContact N-O 3.03Å; T232-R372 PolarHBondContact O-N 3.36Å; T232-R372 VanDerWaalsContact OG1-CB 3.31Å; T232-R372 WeakPolarHBondContact OG1-CB 3.4Å; T232-F374 HydrophobicContact CG2-CE2 4.24Å
233Y95Very high86.5Confident33 Ų3334.9 Ų34.913%0.12919%0.185CC..EExtended strand (participates in β ladder)trans-143.1153.2-175.367.2-84.1000111.7P235 K311 L313 I366 C368 K370Y233-P235 HydrophobicContact CE2-CB 4.49Å; Y233-K311 HydrophobicContact CD1-CB 4.44Å; Y233-K311 HydrophobicContact CE1-CB 3.99Å; Y233-K311 HydrophobicContact CE2-CB 4.09Å; Y233-K311 HydrophobicContact CE2-CD 4.37Å; Y233-K311 PolarHBondContact N-O 3.42Å; Y233-K311 PolarHBondContact O-N 2.67Å; Y233-L313 HydrophobicContact CE1-CB 4.08Å; Y233-I366 HydrophobicContact CD2-CG2 3.73Å; Y233-I366 HydrophobicContact CE1-CD1 4.23Å; Y233-I366 HydrophobicContact CE2-CG2 3.47Å; Y233-I366 VanDerWaalsContact CE2-CG2 3.47Å; Y233-I366 HydrophobicContact CG-CG2 4.39Å; Y233-C368 HydrophobicContact CD2-CB 4.05Å; Y233-K370 VanDerWaalsContact CA-O 3.22Å; Y233-K370 WeakPolarHBondContact CA-O 3.49Å; Y233-K370 WeakPolarHBondContact CB-O 3.31Å
234T92.4Very high86.2Confident6 Ų634.9 Ų34.94%0.03718%0.184CC..EExtended strand (participates in β ladder)trans-101.5118.7169.157.10000108.5L310 C368 D369 K370T234-L310 HydrophobicContact CG2-CD2 3.56Å; T234-L310 HydrophobicContact CG2-CG 4.13Å; T234-C368 CarbonylContact O-C 3.45Å; T234-C368 WeakPolarHBondContact O-CA 3.43Å; T234-C368 WeakPolarHBondContact O-CB 3.5Å; T234-D369 PolarHBondContact O-N 2.58Å; T234-K370 PolarHBondContact N-O 2.9Å; T234-K370 WeakPolarHBondContact OG1-CB 3.46Å; T234-K370 PolarHBondContact OG1-N 3.43Å; T234-K370 VanDerWaalsContact OG1-N 3.13Å
235P91.8Very high85.7Confident34 Ų3440.6 Ų40.622%0.22121%0.21CC..EExtended strand (participates in β ladder)trans-62.9159.4178.929.9-34000110.5Y233 C237 E309 K311Y233-P235 HydrophobicContact CE2-CB 4.49Å; P235-C237 PolarHBondContact O-N 2.95Å; P235-E309 WeakPolarHBondContact CD-O 3.2Å; P235-K311 HydrophobicContact CG-CD 4.22Å
236I89.2Confident85.1Confident70 Ų7042.5 Ų42.536%0.35922%0.22SC..PPolyproline II helixtrans-56.2135.417657.3173.1000111.3H329 L367I236-H329 HydrophobicContact CG2-CB 4.03Å; I236-L367 HydrophobicContact CD1-CB 4.23Å; I236-L367 HydrophobicContact CD1-CD1 4.28Å; I236-L367 HydrophobicContact CG1-CB 4.47Å; I236-L367 HydrophobicContact CG2-CB 3.69Å; I236-L367 PolarHBondContact N-O 3.48Å
237C84.4Confident84.3Confident21 Ų2144.9 Ų44.914%0.14223%0.229CC..PPolyproline II helixtrans-78.9132.7169.8-171.10000110.3P235 G239 C243P235-C237 PolarHBondContact O-N 2.95Å; C237-G239 PolarHBondContact O-N 3.32Å; C237-C243 HydrophobicContact CB-CB 4.14Å; C237-C243 VanDerWaalsContact CB-SG 3.52Å
238T76Confident83.4Confident130 Ų13046.8 Ų46.880%0.79824%0.239SC*.SBendtrans-64.5-3.4174.348.30000114.4N304T238-N304 PolarHBondContact OG1-ND2 2.81Å
239G74.6Confident82.2Confident23 Ų2350.1 Ų50.124%0.23726%0.256CS..  trans110.387.4-18000000110.9C237C237-G239 PolarHBondContact O-N 3.32Å
240C79Confident81Confident2 Ų251.3 Ų51.31%0.01426%0.264CS..  trans-107.5166.1168.174.10000110.9K242 C243 W244 I302 N304 C307C240-K242 VanDerWaalsContact C-N 3.3Å; C240-K242 PolarHBondContact O-N 3.39Å; C240-C243 PolarHBondContact O-N 3.04Å; C240-C243 PolarHBondContact SG-N 3.27Å; C240-W244 WeakPolarHBondContact O-CB 3.4Å; C240-W244 PolarHBondContact O-N 3.08Å; C240-I302 CarbonylContact C-O 3.49Å; C240-I302 WeakPolarHBondContact CA-O 3.49Å; C240-I302 WeakPolarHBondContact CB-O 2.98Å; C240-N304 HydrophobicContact CB-CB 3.73Å; C240-C307 PolarHBondContact SG-SG 3.09Å
241S75.8Confident79.7Confident25 Ų2552.3 Ų52.318%0.17527%0.269CS..Hα-helixtrans-51.1-47.2175.660.60000112.6W244 E245 C300 I302S241-W244 PolarHBondContact O-N 3.07Å; S241-E245 WeakPolarHBondContact O-CB 3.22Å; S241-E245 PolarHBondContact O-N 3.5Å; S241-C300 WeakPolarHBondContact CB-O 3.31Å; S241-I302 PolarHBondContact N-O 2.84Å
242K77.4Confident77.9Confident131 Ų13156.8 Ų56.857%0.5729%0.288SS*.Hα-helixtrans-62.1-47.4179.8-63.7-179.3-178.9175.40113C240 W244 E245 K246C240-K242 VanDerWaalsContact C-N 3.3Å; C240-K242 PolarHBondContact O-N 3.39Å; K242-W244 VanDerWaalsContact C-N 3.32Å; K242-E245 PolarHBondContact O-N 3.37Å; K242-K246 WeakPolarHBondContact O-CB 3.47Å; K242-K246 WeakPolarHBondContact O-CG 3.16Å; K242-K246 PolarHBondContact O-N 3.25Å
243C78.1Confident76.1Confident25 Ų2561.5 Ų61.517%0.16931%0.308CS..Hα-helixtrans-68.4-35.4178.8-77.20000111.7C237 C240 K247 C307C237-C243 HydrophobicContact CB-CB 4.14Å; C237-C243 VanDerWaalsContact CB-SG 3.52Å; C240-C243 PolarHBondContact O-N 3.04Å; C240-C243 PolarHBondContact SG-N 3.27Å; C243-K247 WeakPolarHBondContact O-CB 3.19Å; C243-K247 PolarHBondContact O-N 3.3Å; C243-C307 PolarHBondContact SG-SG 3.11Å
244W74.1Confident74Confident54 Ų5460.5 Ų60.521%0.20531%0.306CS..Hα-helixtrans-66-43.6175.2-162.4-100.2000111.6C240 S241 K242 K247 L248 K299C240-W244 WeakPolarHBondContact O-CB 3.4Å; C240-W244 PolarHBondContact O-N 3.08Å; S241-W244 PolarHBondContact O-N 3.07Å; K242-W244 VanDerWaalsContact C-N 3.32Å; W244-K247 PolarHBondContact O-N 3.15Å; W244-L248 VanDerWaalsContact O-CB 3.32Å; W244-L248 WeakPolarHBondContact O-CB 3.18Å; W244-L248 PolarHBondContact O-N 3.49Å; W244-K299 HydrophobicContact CD2-CB 4.39Å; W244-K299 HydrophobicContact CD2-CD 3.63Å; W244-K299 HydrophobicContact CE3-CD 3.51Å; W244-K299 HydrophobicContact CG-CB 4.28Å; W244-K299 HydrophobicContact CG-CD 4.36Å; W244-K299 HydrophobicContact CH2-CD 3.85Å; W244-K299 HydrophobicContact CZ2-CD 3.94Å; W244-K299 HydrophobicContact CZ3-CD 3.64Å
245E72.8Confident71.7Confident130 Ų13064.1 Ų64.161%0.60733%0.325SS*.Hα-helixtrans-61.5-49174.5-173.8176.3-16400111.4S241 K242 K247 L248 M249S241-E245 WeakPolarHBondContact O-CB 3.22Å; S241-E245 PolarHBondContact O-N 3.5Å; K242-E245 PolarHBondContact O-N 3.37Å; E245-K247 VanDerWaalsContact C-N 3.28Å; E245-K247 PolarHBondContact O-N 3.28Å; E245-L248 PolarHBondContact O-N 2.67Å; E245-M249 HydrophobicContact CG-CG 4.34Å; E245-M249 WeakPolarHBondContact O-CB 3.3Å; E245-M249 VanDerWaalsContact O-CG 3.26Å; E245-M249 WeakPolarHBondContact O-CG 3.1Å; E245-M249 PolarHBondContact O-N 2.81Å
246K75.1Confident69.2Low96 Ų9668.1 Ų68.142%0.41734%0.344SS..Hα-helixtrans-55-43.9173.6-73.4173.6-173167.70111.6K242 M249 S250 D308K242-K246 WeakPolarHBondContact O-CB 3.47Å; K242-K246 WeakPolarHBondContact O-CG 3.16Å; K242-K246 PolarHBondContact O-N 3.25Å; K246-M249 PolarHBondContact O-N 3.37Å; K246-S250 PolarHBondContact O-N 2.82Å; K246-D308 IonicContact NZ-OD1 3.77Å; K246-D308 PolarHBondContact NZ-OD1 2.65Å; K246-D308 IonicContact NZ-OD2 3.76Å; K246-D308 PolarHBondContact NZ-OD2 2.72Å
247K73.6Confident67.1Low56 Ų5669 Ų6924%0.24335%0.346CS..Hα-helixtrans-63.7-48.8177.9179.7169.5-173.6167.30111C243 W244 E245 M249 S250 Y251 D328C243-K247 WeakPolarHBondContact O-CB 3.19Å; C243-K247 PolarHBondContact O-N 3.3Å; W244-K247 PolarHBondContact O-N 3.15Å; E245-K247 VanDerWaalsContact C-N 3.28Å; E245-K247 PolarHBondContact O-N 3.28Å; K247-M249 VanDerWaalsContact C-N 3.32Å; K247-M249 PolarHBondContact O-N 3.3Å; K247-S250 PolarHBondContact O-N 2.97Å; K247-S250 VanDerWaalsContact O-N 3.14Å; K247-S250 PolarHBondContact O-OG 3.26Å; K247-Y251 HydrophobicContact CD-CE2 4.12Å; K247-Y251 WeakPolarHBondContact CE-OH 3.4Å; K247-Y251 HydrophobicContact CG-CD2 3.98Å; K247-Y251 HydrophobicContact CG-CE2 3.48Å; K247-Y251 VanDerWaalsContact CG-CE2 3.48Å; K247-Y251 WeakPolarHBondContact O-CD2 3.5Å; K247-Y251 PolarHBondContact O-N 3.23Å; K247-D328 WeakPolarHBondContact CE-OD2 3.47Å; K247-D328 IonicContact NZ-OD2 2.73Å; K247-D328 PolarHBondContact NZ-OD2 3.32Å
248L71.3Confident65Low46 Ų4672 Ų7224%0.24136%0.364CS..Hα-helixtrans-63.4-39.3178.7-153.3113.9000111.7W244 E245 Y251 K252 I296W244-L248 VanDerWaalsContact O-CB 3.32Å; W244-L248 WeakPolarHBondContact O-CB 3.18Å; W244-L248 PolarHBondContact O-N 3.49Å; E245-L248 PolarHBondContact O-N 2.67Å; L248-Y251 PolarHBondContact O-N 3.27Å; L248-K252 HydrophobicContact CD2-CD 3.98Å; L248-K252 WeakPolarHBondContact O-CB 3.44Å; L248-K252 WeakPolarHBondContact O-CG 2.83Å; L248-K252 PolarHBondContact O-N 2.8Å; L248-I296 HydrophobicContact CD1-CD1 4.05Å; L248-I296 HydrophobicContact CD1-CG1 4.15Å
249M66.9Low62.9Low86 Ų8672.2 Ų72.242%0.42436%0.36SS..Hα-helixtrans-64.6-40.3173.1-72.1-58.1-68.900111.4E245 K246 K247 Y251 K252 E253E245-M249 HydrophobicContact CG-CG 4.34Å; E245-M249 WeakPolarHBondContact O-CB 3.3Å; E245-M249 VanDerWaalsContact O-CG 3.26Å; E245-M249 WeakPolarHBondContact O-CG 3.1Å; E245-M249 PolarHBondContact O-N 2.81Å; K246-M249 PolarHBondContact O-N 3.37Å; K247-M249 VanDerWaalsContact C-N 3.32Å; K247-M249 PolarHBondContact O-N 3.3Å; M249-Y251 VanDerWaalsContact C-N 3.32Å; M249-Y251 PolarHBondContact O-N 2.81Å; M249-K252 CarbonylContact O-C 3.56Å; M249-K252 PolarHBondContact O-N 2.82Å; M249-K252 VanDerWaalsContact O-N 3.13Å; M249-K252 HydrophobicContact SD-CD 4.26Å; M249-E253 WeakPolarHBondContact O-CB 3.05Å; M249-E253 WeakPolarHBondContact O-CG 3.37Å; M249-E253 PolarHBondContact O-N 3.44Å
250S68.8Low60.8Low25 Ų2574.9 Ų74.918%0.17538%0.38CS..Hα-helixtrans-63.8-36.6174.469.90000112.7K246 K247 S254K246-S250 PolarHBondContact O-N 2.82Å; K247-S250 PolarHBondContact O-N 2.97Å; K247-S250 VanDerWaalsContact O-N 3.14Å; K247-S250 PolarHBondContact O-OG 3.26Å; S250-S254 WeakPolarHBondContact O-CB 3.4Å; S250-S254 PolarHBondContact O-N 2.87Å
251Y66.5Low58.6Low78 Ų7884.2 Ų84.231%0.30642%0.42SS..Hα-helixtrans-71.1-37.2171.1-69.1-71.2000112.3K247 L248 M249 S254 N255 D328 N402K247-Y251 HydrophobicContact CD-CE2 4.12Å; K247-Y251 WeakPolarHBondContact CE-OH 3.4Å; K247-Y251 HydrophobicContact CG-CD2 3.98Å; K247-Y251 HydrophobicContact CG-CE2 3.48Å; K247-Y251 VanDerWaalsContact CG-CE2 3.48Å; K247-Y251 WeakPolarHBondContact O-CD2 3.5Å; K247-Y251 PolarHBondContact O-N 3.23Å; L248-Y251 PolarHBondContact O-N 3.27Å; M249-Y251 VanDerWaalsContact C-N 3.32Å; M249-Y251 PolarHBondContact O-N 2.81Å; Y251-S254 WeakPolarHBondContact CA-OG 3.27Å; Y251-S254 CarbonylContact O-C 3.44Å; Y251-S254 WeakPolarHBondContact O-CA 3.29Å; Y251-S254 WeakPolarHBondContact O-CB 3.2Å; Y251-S254 PolarHBondContact O-N 3.36Å; Y251-S254 PolarHBondContact O-OG 2.87Å; Y251-N255 VanDerWaalsContact O-CB 3.28Å; Y251-N255 WeakPolarHBondContact O-CB 3.45Å; Y251-N255 PolarHBondContact O-N 2.89Å; Y251-N255 PolarHBondContact O-ND2 2.84Å; Y251-D328 PolarHBondContact OH-OD2 3.37Å; Y251-N402 WeakPolarHBondContact CD1-ND2 3.4Å; Y251-N402 WeakPolarHBondContact CE1-ND2 3.5Å
252K58.1Low56.6Low93 Ų9392.4 Ų92.440%0.40445%0.453SS..Hα-helixtrans-70.7-40.5177.2-79178.4175.61750112.1L248 M249 S254 N255 L256L248-K252 HydrophobicContact CD2-CD 3.98Å; L248-K252 WeakPolarHBondContact O-CB 3.44Å; L248-K252 WeakPolarHBondContact O-CG 2.83Å; L248-K252 PolarHBondContact O-N 2.8Å; M249-K252 CarbonylContact O-C 3.56Å; M249-K252 PolarHBondContact O-N 2.82Å; M249-K252 VanDerWaalsContact O-N 3.13Å; M249-K252 HydrophobicContact SD-CD 4.26Å; K252-S254 PolarHBondContact O-N 2.89Å; K252-N255 CarbonylContact O-C 3.56Å; K252-N255 PolarHBondContact O-N 2.84Å; K252-L256 HydrophobicContact CB-CB 4.45Å; K252-L256 HydrophobicContact CG-CD1 4.47Å; K252-L256 WeakPolarHBondContact O-CA 3.3Å; K252-L256 WeakPolarHBondContact O-CB 3.39Å; K252-L256 PolarHBondContact O-N 2.87Å
253E58Low54.6Low128 Ų12891.5 Ų91.560%0.59846%0.463SS*.Hα-helixtrans-56.8-36.7170.1-74.7175.9178.300110.1M249M249-E253 WeakPolarHBondContact O-CB 3.05Å; M249-E253 WeakPolarHBondContact O-CG 3.37Å; M249-E253 PolarHBondContact O-N 3.44Å
254S51.2Low52.5Low11 Ų1196.6 Ų96.68%0.07749%0.494CS..Hα-helixtrans-75.5-1817588.60000115R96 S250 Y251 K252R96-S254 PolarHBondContact NH1-O 2.84Å; R96-S254 PolarHBondContact NH1-OG 2.93Å; R96-S254 VanDerWaalsContact NH1-OG 3.15Å; S250-S254 WeakPolarHBondContact O-CB 3.4Å; S250-S254 PolarHBondContact O-N 2.87Å; Y251-S254 WeakPolarHBondContact CA-OG 3.27Å; Y251-S254 CarbonylContact O-C 3.44Å; Y251-S254 WeakPolarHBondContact O-CA 3.29Å; Y251-S254 WeakPolarHBondContact O-CB 3.2Å; Y251-S254 PolarHBondContact O-N 3.36Å; Y251-S254 PolarHBondContact O-OG 2.87Å; K252-S254 PolarHBondContact O-N 2.89Å
255N43.5Very low51.1Low82 Ų8298.2 Ų98.244%0.43951%0.513SS..Hα-helixtrans-121.4-26.6-172.9-76.2-18.7000115R96 Y251 K252 V258R96-N255 PolarHBondContact NH2-OD1 3.03Å; Y251-N255 VanDerWaalsContact O-CB 3.28Å; Y251-N255 WeakPolarHBondContact O-CB 3.45Å; Y251-N255 PolarHBondContact O-N 2.89Å; Y251-N255 PolarHBondContact O-ND2 2.84Å; K252-N255 CarbonylContact O-C 3.56Å; K252-N255 PolarHBondContact O-N 2.84Å; N255-V258 VanDerWaalsContact O-CB 3.24Å; N255-V258 WeakPolarHBondContact O-CB 3.45Å; N255-V258 WeakPolarHBondContact O-CG2 3.37Å
256L39.2Very low49.6Very low119 Ų11999 Ų9962%0.62352%0.521SS*.Hα-helixtrans-91.4-16.9-171.2-142.397.4000111.8K252 V258K252-L256 HydrophobicContact CB-CB 4.45Å; K252-L256 HydrophobicContact CG-CD1 4.47Å; K252-L256 WeakPolarHBondContact O-CA 3.3Å; K252-L256 WeakPolarHBondContact O-CB 3.39Å; K252-L256 PolarHBondContact O-N 2.87Å; L256-V258 PolarHBondContact O-N 2.88Å
257Q44Very low48.1Very low87 Ų87100.4 Ų100.441%0.40753%0.532SS..G310 helixtrans-77.9-2.2167.8-66.1-164.5-19.300113.2K48 N259 A260K48-Q257 PolarHBondContact O-NE2 2.89Å; K48-Q257 VanDerWaalsContact O-NE2 3.11Å; K48-Q257 PolarHBondContact O-OE1 3.12Å; Q257-N259 PolarHBondContact O-N 2.82Å; Q257-A260 PolarHBondContact O-N 3.39Å
258V40.6Very low46.6Very low84 Ų84100.4 Ų100.451%0.50955%0.548SS..G310 helixtrans-62.8-23.4170.8177.20000112.1W53 N255 L256W53-V258 HydrophobicContact CH2-CB 4.23Å; W53-V258 HydrophobicContact CH2-CG2 3.29Å; W53-V258 HydrophobicContact CZ2-CG2 3.93Å; W53-V258 HydrophobicContact CZ3-CG2 4.04Å; N255-V258 VanDerWaalsContact O-CB 3.24Å; N255-V258 WeakPolarHBondContact O-CB 3.45Å; N255-V258 WeakPolarHBondContact O-CG2 3.37Å; L256-V258 PolarHBondContact O-N 2.88Å
259N31.4Very low45.4Very low135 Ų135109.1 Ų109.172%0.72258%0.578SS**G310 helixtrans-949.3-175.8-74.1-28.4000114.7Q257 K261Q257-N259 PolarHBondContact O-N 2.82Å; N259-K261 VanDerWaalsContact C-N 3.3Å; N259-K261 PolarHBondContact O-N 2.85Å
260A32.3Very low44.6Very low80 Ų80110.7 Ų110.766%0.66159%0.587SS**SBendtrans-67.995166.800000108.5Q257 K262Q257-A260 PolarHBondContact O-N 3.39Å; A260-K262 PolarHBondContact O-N 2.7Å; A260-K262 VanDerWaalsContact O-N 3.14Å
261K32.1Very low43.3Very low197 Ų197116 Ų11686%0.85761%0.607SS**  trans-21.6109.8177.5-67.2173.7178.4176.20112N259 S263N259-K261 VanDerWaalsContact C-N 3.3Å; N259-K261 PolarHBondContact O-N 2.85Å; K261-S263 VanDerWaalsContact C-N 3.34Å; K261-S263 PolarHBondContact O-N 2.78Å
262K33.5Very low41.9Very low198 Ų198115.8 Ų115.886%0.86163%0.629SS**  trans-52.1102.6163.9-79.1-176.8175.8-1770107.6A260 T264A260-K262 PolarHBondContact O-N 2.7Å; A260-K262 VanDerWaalsContact O-N 3.14Å; K262-T264 PolarHBondContact O-N 3.11Å
263S35.4Very low40.8Very low112 Ų112119.8 Ų119.878%0.78365%0.646SS**  trans-60.7107.7165.6179.60000105.6K261 S265K261-S263 VanDerWaalsContact C-N 3.34Å; K261-S263 PolarHBondContact O-N 2.78Å; S263-S265 VanDerWaalsContact C-N 3.32Å; S263-S265 PolarHBondContact O-N 3.46Å
264T35.1Very low39.6Very low132 Ų132118.6 Ų118.681%0.8165%0.652SS**  trans-69.694.3178.836.40000107.2K262K262-T264 PolarHBondContact O-N 3.11Å
265S43.6Very low39Very low88 Ų88125.7 Ų125.762%0.61569%0.689SS**  trans-65137.2174.763.70000109.4S263 L267 G268S263-S265 VanDerWaalsContact C-N 3.32Å; S263-S265 PolarHBondContact O-N 3.46Å; S265-L267 PolarHBondContact O-N 3.21Å; S265-G268 PolarHBondContact O-N 3.2Å; S265-G268 VanDerWaalsContact O-N 3.08Å
266L41Very low38.3Very low145 Ų145128.2 Ų128.276%0.75970%0.702SS**G310 helixtrans-58.1-22.7-165.6-150.8146.5000113.7G268 R269L266-G268 VanDerWaalsContact C-N 3.31Å; L266-G268 PolarHBondContact O-N 3.47Å; L266-R269 PolarHBondContact O-N 3.47Å
267L43.2Very low38Very low126 Ų126126.8 Ų126.866%0.6670%0.702SS**G310 helixtrans-64-29.7177.3-90.8151000113.7S265 R269 I270S265-L267 PolarHBondContact O-N 3.21Å; L267-R269 PolarHBondContact O-N 3.4Å; L267-I270 PolarHBondContact O-N 2.66Å
268G43.8Very low37.3Very low57 Ų57128.7 Ų128.759%0.58872%0.715SS**G310 helixtrans-69.4-14.5177.600000114.5S265 L266S265-G268 PolarHBondContact O-N 3.2Å; S265-G268 VanDerWaalsContact O-N 3.08Å; L266-G268 VanDerWaalsContact C-N 3.31Å; L266-G268 PolarHBondContact O-N 3.47Å
269R46.3Very low36.7Very low229 Ų229131.2 Ų131.286%0.86473%0.726SS**G310 helixtrans-83.5-22175-89.7-176170.1-179.8-2.4113.8L266 L267L266-R269 PolarHBondContact O-N 3.47Å; L267-R269 PolarHBondContact O-N 3.4Å
270I49Very low36.6Very low119 Ų119131.6 Ų131.661%0.6173%0.728SS**THydrogen-bonded Turntrans-85.4-35.5-175.2-65.5174.2000111L267L267-I270 PolarHBondContact O-N 2.66Å
271F42.3Very low36.5Very low135 Ų135136.1 Ų136.159%0.59273%0.733SS**SBendtrans-105.293.9175.9-65.7-79.4000108.4F273F271-F273 HydrophobicContact CB-CD2 3.97Å; F271-F273 HydrophobicContact CB-CE2 4.01Å; F271-F273 PolarHBondContact O-N 3.2Å
272G37.3Very low36.5Very low74 Ų74130.4 Ų130.476%0.76372%0.717SS**  trans-61.751.6-175.800000115.9S274G272-S274 PolarHBondContact O-N 2.81Å
273F34.3Very low36.6Very low177 Ų177128.4 Ų128.478%0.77672%0.716SS**  trans-77.667.1162.3-62.8-70.1000108.5F271 L275F271-F273 HydrophobicContact CB-CD2 3.97Å; F271-F273 HydrophobicContact CB-CE2 4.01Å; F271-F273 PolarHBondContact O-N 3.2Å; F273-L275 PolarHBondContact O-N 3Å
274S33.5Very low36.8Very low104 Ų104129.4 Ų129.473%0.72771%0.711SS**  trans-68.284.1160.5178.10000106.9G272 N276G272-S274 PolarHBondContact O-N 2.81Å; S274-N276 VanDerWaalsContact C-N 3.33Å; S274-N276 PolarHBondContact O-N 3Å
275L37.4Very low37.2Very low160 Ų160128.2 Ų128.284%0.83870%0.7SS**  trans-58.2103.9165.7-83.9158.2000106.8F273 S277F273-L275 PolarHBondContact O-N 3Å; L275-S277 PolarHBondContact O-N 3.49Å
276N29.6Very low36.8Very low134 Ų134126 Ų12672%0.71769%0.691SS**  trans-64.985.9177.7-154.226.1000107.5S274 N278S274-N276 VanDerWaalsContact C-N 3.33Å; S274-N276 PolarHBondContact O-N 3Å; N276-N278 VanDerWaalsContact C-N 3.3Å; N276-N278 PolarHBondContact O-N 2.95Å
277S32.6Very low36.6Very low90 Ų90126.6 Ų126.663%0.62969%0.692SS**  trans-70.794.2170.7-179.60000106.7L275 N279L275-S277 PolarHBondContact O-N 3.49Å; S277-N279 VanDerWaalsContact C-N 3.27Å; S277-N279 PolarHBondContact O-N 3.39Å
278N28.8Very low36.8Very low126 Ų126126.1 Ų126.167%0.67469%0.686SS**  trans-59.298.2164.4-86.6-15.9000107.5N276 N280N276-N278 VanDerWaalsContact C-N 3.3Å; N276-N278 PolarHBondContact O-N 2.95Å; N278-N280 PolarHBondContact O-N 2.83Å
279N29.1Very low37.2Very low138 Ų138125.9 Ų125.974%0.73868%0.676SS**  trans-6671.9167.3-79.9-36.4000109.5S277 K281S277-N279 VanDerWaalsContact C-N 3.27Å; S277-N279 PolarHBondContact O-N 3.39Å; N279-K281 PolarHBondContact O-N 3.05Å; N279-K281 VanDerWaalsContact O-N 3.08Å
280N28.1Very low37.6Very low142 Ų142121.1 Ų121.176%0.75966%0.663SS**  trans-82.163.9156.4-80-4.7000108.2N278 S282N278-N280 PolarHBondContact O-N 2.83Å; N280-S282 PolarHBondContact O-N 3.42Å; N280-S282 VanDerWaalsContact O-N 3.15Å
281K31Very low37.9Very low176 Ų176121.2 Ų121.277%0.76566%0.661SS**  trans-83.870.3165.9-161.3173.6-171.4172.70106.9N279N279-K281 PolarHBondContact O-N 3.05Å; N279-K281 VanDerWaalsContact O-N 3.08Å
282S30.9Very low38.6Very low77 Ų77118.6 Ų118.654%0.53865%0.653SS.*  trans-121.2105.9-177.158.10000111N280 I284N280-S282 PolarHBondContact O-N 3.42Å; N280-S282 VanDerWaalsContact O-N 3.15Å; S282-I284 PolarHBondContact O-N 3.32Å
283N36.9Very low39.6Very low155 Ų155120 Ų12083%0.82964%0.639SS**SBendtrans65.7-10.9153.1-65.4-11.3000121.6
284I39.7Very low40.9Very low133 Ų133118 Ų11868%0.68263%0.632SS**Hα-helixtrans-74.6-39.6175.9-61176.7000111.4S282 G286 E288S282-I284 PolarHBondContact O-N 3.32Å; I284-G286 PolarHBondContact O-N 3.33Å; I284-G286 VanDerWaalsContact O-N 3.17Å; I284-E288 PolarHBondContact O-N 3.44Å
285D42.1Very low42.3Very low107 Ų107117.2 Ų117.257%0.57262%0.617SS**Hα-helixtrans-61.7-27-179.7-69-14.3000113.8S289D285-S289 WeakPolarHBondContact O-CB 3.38Å; D285-S289 PolarHBondContact O-N 2.87Å; D285-S289 VanDerWaalsContact O-N 3.12Å
286G35.2Very low43.3Very low42 Ų42111.9 Ų111.943%0.43359%0.589SS.*Hα-helixtrans-72.9-47.3-175.900000113.1I284 S289 E290I284-G286 PolarHBondContact O-N 3.33Å; I284-G286 VanDerWaalsContact O-N 3.17Å; G286-S289 PolarHBondContact O-N 2.97Å; G286-E290 PolarHBondContact O-N 3.03Å; G286-E290 VanDerWaalsContact O-N 3.15Å
287M37.4Very low44.8Very low157 Ų157112.9 Ų112.977%0.77359%0.587SS**Hα-helixtrans-68.4-41.4-178.7-115.4172.776.300111.6S289 E290 E291M287-S289 VanDerWaalsContact C-N 3.34Å; M287-E290 PolarHBondContact O-N 3.08Å; M287-E291 PolarHBondContact O-N 2.73Å
288E46.4Very low46.3Very low117 Ų117111.7 Ų111.755%0.54758%0.583SS.*Hα-helixtrans-67.6-36.5177.4-150.1176.8-174.600110.9I284 I292I284-E288 PolarHBondContact O-N 3.44Å; E288-I292 HydrophobicContact CG-CD1 4.09Å; E288-I292 VanDerWaalsContact O-CB 3.29Å; E288-I292 WeakPolarHBondContact O-CB 3.38Å; E288-I292 WeakPolarHBondContact O-CD1 3.39Å; E288-I292 WeakPolarHBondContact O-CG1 3.28Å; E288-I292 PolarHBondContact O-N 3.08Å
289S52.6Low48Very low52 Ų52109 Ų10936%0.36457%0.565SS.*Hα-helixtrans-66.4-37.9177.1-178.80000113.1D285 G286 M287 Q293D285-S289 WeakPolarHBondContact O-CB 3.38Å; D285-S289 PolarHBondContact O-N 2.87Å; D285-S289 VanDerWaalsContact O-N 3.12Å; G286-S289 PolarHBondContact O-N 2.97Å; M287-S289 VanDerWaalsContact C-N 3.34Å; S289-Q293 WeakPolarHBondContact O-CB 3.41Å; S289-Q293 VanDerWaalsContact O-CG 3.25Å; S289-Q293 WeakPolarHBondContact O-CG 3.42Å; S289-Q293 PolarHBondContact O-N 3.35Å
290E54.5Low49.5Very low129 Ų129105.7 Ų105.760%0.60355%0.552SS**Hα-helixtrans-69.4-43177.9-74.9-170.8175.500112.1G286 M287 Q293 Q294G286-E290 PolarHBondContact O-N 3.03Å; G286-E290 VanDerWaalsContact O-N 3.15Å; M287-E290 PolarHBondContact O-N 3.08Å; E290-Q293 PolarHBondContact O-N 3.37Å; E290-Q294 WeakPolarHBondContact O-CG 3.4Å; E290-Q294 PolarHBondContact O-N 2.83Å
291E56.9Low51.4Low120 Ų120103.8 Ų103.856%0.56155%0.55SS*.Hα-helixtrans-64.4-42.9177.1-165.4176.8177.300111.2M287 Q293 Q294 Q295M287-E291 PolarHBondContact O-N 2.73Å; E291-Q293 VanDerWaalsContact C-N 3.32Å; E291-Q293 PolarHBondContact O-N 3.4Å; E291-Q294 PolarHBondContact O-N 2.74Å; E291-Q295 WeakPolarHBondContact O-CG 3.34Å; E291-Q295 PolarHBondContact O-N 2.8Å
292I56.9Low53.4Low81 Ų8199.5 Ų99.542%0.41553%0.534SS..Hα-helixtrans-59.8-43172.4-70167.6000110.5E288 Q295 I296E288-I292 HydrophobicContact CG-CD1 4.09Å; E288-I292 VanDerWaalsContact O-CB 3.29Å; E288-I292 WeakPolarHBondContact O-CB 3.38Å; E288-I292 WeakPolarHBondContact O-CD1 3.39Å; E288-I292 WeakPolarHBondContact O-CG1 3.28Å; E288-I292 PolarHBondContact O-N 3.08Å; I292-Q295 PolarHBondContact O-N 2.64Å; I292-I296 HydrophobicContact CG2-CD1 3.71Å; I292-I296 HydrophobicContact CG2-CG1 4.3Å; I292-I296 WeakPolarHBondContact O-CB 3.38Å; I292-I296 WeakPolarHBondContact O-CD1 3.32Å; I292-I296 WeakPolarHBondContact O-CG1 3.33Å; I292-I296 PolarHBondContact O-N 3.25Å
293Q58.7Low55.5Low104 Ų104103.8 Ų103.849%0.48655%0.546SS..Hα-helixtrans-65.6-37.7177.5-80.1-172.620.300113.3S289 E290 E291 I296 K297S289-Q293 WeakPolarHBondContact O-CB 3.41Å; S289-Q293 VanDerWaalsContact O-CG 3.25Å; S289-Q293 WeakPolarHBondContact O-CG 3.42Å; S289-Q293 PolarHBondContact O-N 3.35Å; E290-Q293 PolarHBondContact O-N 3.37Å; E291-Q293 VanDerWaalsContact C-N 3.32Å; E291-Q293 PolarHBondContact O-N 3.4Å; Q293-I296 WeakPolarHBondContact O-CB 3.44Å; Q293-I296 PolarHBondContact O-N 2.94Å; Q293-K297 WeakPolarHBondContact O-CG 3.48Å; Q293-K297 PolarHBondContact O-N 3.24Å
294Q61Low57.4Low135 Ų13598.4 Ų98.463%0.63152%0.517SS*.Hα-helixtrans-66.5-43.4174.5-72-178.99.600111.2E290 E291 I296 K297 A298E290-Q294 WeakPolarHBondContact O-CG 3.4Å; E290-Q294 PolarHBondContact O-N 2.83Å; E291-Q294 PolarHBondContact O-N 2.74Å; Q294-I296 VanDerWaalsContact C-N 3.29Å; Q294-I296 PolarHBondContact O-N 2.83Å; Q294-K297 PolarHBondContact O-N 3.05Å; Q294-A298 WeakPolarHBondContact O-CB 3.2Å; Q294-A298 PolarHBondContact O-N 2.64Å
295Q61.5Low59.1Low87 Ų8798.5 Ų98.541%0.40753%0.526SS..Hα-helixtrans-62.4-36.3173.1-70-17520.400112.1E291 I292 A298 K299E291-Q295 WeakPolarHBondContact O-CG 3.34Å; E291-Q295 PolarHBondContact O-N 2.8Å; I292-Q295 PolarHBondContact O-N 2.64Å; Q295-A298 PolarHBondContact O-N 2.76Å; Q295-K299 WeakPolarHBondContact O-CG 3.46Å; Q295-K299 PolarHBondContact O-N 2.84Å; Q295-K299 VanDerWaalsContact O-N 3.08Å
296I58.7Low60.7Low47 Ų4795.6 Ų95.624%0.24152%0.517CS..Hα-helixtrans-60.6-53.1173.5-73.7163.5000109.8L248 I292 Q293 Q294 A298 K299 C300L248-I296 HydrophobicContact CD1-CD1 4.05Å; L248-I296 HydrophobicContact CD1-CG1 4.15Å; I292-I296 HydrophobicContact CG2-CD1 3.71Å; I292-I296 HydrophobicContact CG2-CG1 4.3Å; I292-I296 WeakPolarHBondContact O-CB 3.38Å; I292-I296 WeakPolarHBondContact O-CD1 3.32Å; I292-I296 WeakPolarHBondContact O-CG1 3.33Å; I292-I296 PolarHBondContact O-N 3.25Å; Q293-I296 WeakPolarHBondContact O-CB 3.44Å; Q293-I296 PolarHBondContact O-N 2.94Å; Q294-I296 VanDerWaalsContact C-N 3.29Å; Q294-I296 PolarHBondContact O-N 2.83Å; I296-A298 VanDerWaalsContact C-N 3.29Å; I296-A298 PolarHBondContact O-N 2.81Å; I296-K299 PolarHBondContact O-N 2.9Å; I296-C300 WeakPolarHBondContact O-CB 3.47Å; I296-C300 PolarHBondContact O-N 2.82Å; I296-C300 PolarHBondContact O-SG 2.99Å
297K62.6Low62.9Low155 Ų15594.5 Ų94.567%0.67450%0.502SS*.Hα-helixtrans-60.4-38.9-179.6-72.5-178.1-177.4177.60112.2Q293 Q294Q293-K297 WeakPolarHBondContact O-CG 3.48Å; Q293-K297 PolarHBondContact O-N 3.24Å; Q294-K297 PolarHBondContact O-N 3.05Å
298A64.1Low64.9Low66 Ų6690.3 Ų90.355%0.54548%0.483SS..Hα-helixtrans-66.9-38.5178.800000113Q294 Q295 I296Q294-A298 WeakPolarHBondContact O-CB 3.2Å; Q294-A298 PolarHBondContact O-N 2.64Å; Q295-A298 PolarHBondContact O-N 2.76Å; I296-A298 VanDerWaalsContact C-N 3.29Å; I296-A298 PolarHBondContact O-N 2.81Å
299K63.6Low66.8Low70 Ų7089.2 Ų89.230%0.30448%0.478SS..Hα-helixtrans-86.3-24.5-177.2-70-174.2178.9-179.30114.4W244 Q295 I296 S301 I302W244-K299 HydrophobicContact CD2-CB 4.39Å; W244-K299 HydrophobicContact CD2-CD 3.63Å; W244-K299 HydrophobicContact CE3-CD 3.51Å; W244-K299 HydrophobicContact CG-CB 4.28Å; W244-K299 HydrophobicContact CG-CD 4.36Å; W244-K299 HydrophobicContact CH2-CD 3.85Å; W244-K299 HydrophobicContact CZ2-CD 3.94Å; W244-K299 HydrophobicContact CZ3-CD 3.64Å; Q295-K299 WeakPolarHBondContact O-CG 3.46Å; Q295-K299 PolarHBondContact O-N 2.84Å; Q295-K299 VanDerWaalsContact O-N 3.08Å; I296-K299 PolarHBondContact O-N 2.9Å; K299-S301 PolarHBondContact O-N 2.83Å; K299-I302 PolarHBondContact O-N 3.49Å
300C61.4Low68.5Low68 Ų6892.7 Ų92.746%0.45949%0.492SS..Hα-helixtrans-63.4-21.5178-77.30000113.8S241 I296S241-C300 WeakPolarHBondContact CB-O 3.31Å; I296-C300 WeakPolarHBondContact O-CB 3.47Å; I296-C300 PolarHBondContact O-N 2.82Å; I296-C300 PolarHBondContact O-SG 2.99Å
301S66.4Low70.3Confident102 Ų10290.6 Ų90.671%0.71348%0.481SS*.THydrogen-bonded Turntrans-89.7-5.7-179.2-53.30000114.2K299 E303K299-S301 PolarHBondContact O-N 2.83Å; S301-E303 PolarHBondContact O-N 2.85Å
302I73.4Confident72.1Confident86 Ų8690.8 Ų90.844%0.44148%0.482SS..  trans-92.5107.4-175.9-55.7174.5000108.8C240 S241 K299C240-I302 CarbonylContact C-O 3.49Å; C240-I302 WeakPolarHBondContact CA-O 3.49Å; C240-I302 WeakPolarHBondContact CB-O 2.98Å; S241-I302 PolarHBondContact N-O 2.84Å; K299-I302 PolarHBondContact O-N 3.49Å
303E75.3Confident73.8Confident167 Ų16789.2 Ų89.278%0.7847%0.474SS*.  trans-94130.9169.4-64.9-169.7169.900109.9S301S301-E303 PolarHBondContact O-N 2.85Å
304N76.4Confident75.5Confident41 Ų4187.5 Ų87.522%0.21947%0.471CS..  trans-115.4112.2173.9-178.3-4.7000108.4T238 C240 A306 C307T238-N304 PolarHBondContact OG1-ND2 2.81Å; C240-N304 HydrophobicContact CB-CB 3.73Å; N304-A306 VanDerWaalsContact C-N 3.26Å; N304-A306 PolarHBondContact O-N 3.14Å; N304-A306 WeakPolarHBondContact OD1-CB 3.48Å; N304-A306 PolarHBondContact OD1-N 3.08Å; N304-C307 HydrophobicContact CB-CB 4.14Å; N304-C307 WeakPolarHBondContact O-CB 3.44Å; N304-C307 PolarHBondContact O-N 2.98Å; N304-C307 VanDerWaalsContact O-N 3.13Å
305P75.4Confident77Confident135 Ų13581.9 Ų81.988%0.87745%0.446SS*.THydrogen-bonded Turntrans-68.3-25179.728-34.4000112.9C307P305-C307 PolarHBondContact O-N 2.78Å
306A76.9Confident78.4Confident47 Ų4783.4 Ų83.439%0.38845%0.452SS..THydrogen-bonded Turntrans-81.60.917500000112.9N304 E309N304-A306 VanDerWaalsContact C-N 3.26Å; N304-A306 PolarHBondContact O-N 3.14Å; N304-A306 WeakPolarHBondContact OD1-CB 3.48Å; N304-A306 PolarHBondContact OD1-N 3.08Å; A306-E309 VanDerWaalsContact O-CB 3.3Å; A306-E309 WeakPolarHBondContact O-CB 3.11Å; A306-E309 PolarHBondContact O-N 3.06Å
307C80Confident79.9Confident18 Ų1885.7 Ų85.712%0.12246%0.461CS..THydrogen-bonded Turntrans-67.9140.5174.3-175.40000110.7C240 C243 N304 P305 E309C240-C307 PolarHBondContact SG-SG 3.09Å; C243-C307 PolarHBondContact SG-SG 3.11Å; N304-C307 HydrophobicContact CB-CB 4.14Å; N304-C307 WeakPolarHBondContact O-CB 3.44Å; N304-C307 PolarHBondContact O-N 2.98Å; N304-C307 VanDerWaalsContact O-N 3.13Å; P305-C307 PolarHBondContact O-N 2.78Å; C307-E309 PolarHBondContact O-N 3.15Å; C307-E309 VanDerWaalsContact O-N 3.17Å
308D80.1Confident81.3Confident69 Ų6978.3 Ų78.337%0.36943%0.429SS..THydrogen-bonded Turntrans60.214.3-176.2-61.4-47.9000113.6K246 L310K246-D308 IonicContact NZ-OD1 3.77Å; K246-D308 PolarHBondContact NZ-OD1 2.65Å; K246-D308 IonicContact NZ-OD2 3.76Å; K246-D308 PolarHBondContact NZ-OD2 2.72Å; D308-L310 PolarHBondContact O-N 3.49Å
309E85.9Confident82.7Confident95 Ų9575.2 Ų75.244%0.44440%0.403SS..  trans-65123.1172.1-171.3-172.817700109.8P235 A306 C307P235-E309 WeakPolarHBondContact CD-O 3.2Å; A306-E309 VanDerWaalsContact O-CB 3.3Å; A306-E309 WeakPolarHBondContact O-CB 3.11Å; A306-E309 PolarHBondContact O-N 3.06Å; C307-E309 PolarHBondContact O-N 3.15Å; C307-E309 VanDerWaalsContact O-N 3.17Å
310L89.1Confident84.1Confident125 Ų12571.9 Ų71.965%0.65439%0.388SS*.  trans-83.4124.3176.1-77.2165.4000109.7T234 D308T234-L310 HydrophobicContact CG2-CD2 3.56Å; T234-L310 HydrophobicContact CG2-CG 4.13Å; D308-L310 PolarHBondContact O-N 3.49Å
311K92.7Very high85.7Confident85 Ų8568.7 Ų68.737%0.3737%0.367SS..EExtended strand (participates in β ladder)trans-107.4142.1172.2-67.9-173.3177.5-176.50109.8T232 Y233 P235T232-K311 CarbonylContact C-O 3.56Å; T232-K311 WeakPolarHBondContact CA-O 3.29Å; Y233-K311 HydrophobicContact CD1-CB 4.44Å; Y233-K311 HydrophobicContact CE1-CB 3.99Å; Y233-K311 HydrophobicContact CE2-CB 4.09Å; Y233-K311 HydrophobicContact CE2-CD 4.37Å; Y233-K311 PolarHBondContact N-O 3.42Å; Y233-K311 PolarHBondContact O-N 2.67Å; P235-K311 HydrophobicContact CG-CD 4.22Å
312E93.6Very high87.1Confident123 Ų12364 Ų6458%0.57533%0.334SS*.EExtended strand (participates in β ladder)trans-114.7137175.3-171170.3-17700109.7R230 L231 T232R230-E312 WeakPolarHBondContact CD-OE1 3.36Å; R230-E312 HydrophobicContact CG-CG 4.39Å; L231-E312 CarbonylContact O-C 3.49Å; L231-E312 WeakPolarHBondContact O-CA 3.24Å; T232-E312 HydrophobicContact CG2-CG 4.21Å
313L93.8Very high88.2Confident48 Ų4860 Ų6025%0.25131%0.313SS..EExtended strand (participates in β ladder)trans-138.7119.6178177.966.3000108.9L231 Y233 V315 I334 I366L231-L313 HydrophobicContact CB-CB 4.38Å; L231-L313 WeakPolarHBondContact CB-O 3.48Å; L231-L313 HydrophobicContact CD1-CD2 4.17Å; L231-L313 PolarHBondContact N-O 3.4Å; L231-L313 PolarHBondContact O-N 3.13Å; Y233-L313 HydrophobicContact CE1-CB 4.08Å; L313-V315 HydrophobicContact CD2-CG2 3.96Å; L313-V315 HydrophobicContact CG-CG2 3.91Å; L313-I334 HydrophobicContact CD2-CD1 3.82Å; L313-I366 HydrophobicContact CD2-CD1 3.84Å
314V94.1Very high89.1Confident69 Ų6952.8 Ų52.842%0.41828%0.281SS..EExtended strand (participates in β ladder)trans-93.5118.5171.1-177.50000108.2R230 E316R230-V314 HydrophobicContact CG-CG2 4.26Å; V314-E316 HydrophobicContact CG1-CG 4.4Å
315V93.1Very high89.9Confident17 Ų1752.5 Ų52.510%0.10328%0.281CS..EExtended strand (participates in β ladder)trans-105.2101.6179.1-178.30000108.3L228 A229 L231 L313 A318 F321 I334L228-V315 WeakPolarHBondContact CA-O 3.18Å; A229-V315 PolarHBondContact N-O 3.32Å; A229-V315 PolarHBondContact O-N 3.17Å; L231-V315 HydrophobicContact CD1-CG2 3.73Å; L231-V315 HydrophobicContact CG-CG2 4.49Å; L313-V315 HydrophobicContact CD2-CG2 3.96Å; L313-V315 HydrophobicContact CG-CG2 3.91Å; V315-A318 HydrophobicContact CG1-CB 3.7Å; V315-F321 HydrophobicContact CB-CE1 4.16Å; V315-F321 HydrophobicContact CB-CZ 3.99Å; V315-F321 HydrophobicContact CG1-CE1 4.09Å; V315-F321 HydrophobicContact CG1-CZ 3.88Å; V315-F321 HydrophobicContact CG2-CE1 4.18Å; V315-F321 HydrophobicContact CG2-CZ 4.5Å; V315-I334 HydrophobicContact CG1-CG2 3.93Å; V315-I334 HydrophobicContact CG2-CD1 4.05Å
316E89.8Confident90.6Very high118 Ų11850 Ų5055%0.55126%0.258SS*.EExtended strand (participates in β ladder)trans-76.4-34.8-176.5-62.9-173.8166.600114N193 L228 V314N193-E316 PolarHBondContact ND2-O 2.8Å; L228-E316 HydrophobicContact CD1-CB 4.4Å; L228-E316 HydrophobicContact CD1-CG 4.4Å; V314-E316 HydrophobicContact CG1-CG 4.4Å
317K90.4Very high91.1Very high95 Ų9550.4 Ų50.441%0.41327%0.267SS..EExtended strand (participates in β ladder)trans-139.789.1-171.3-62.4-175.9-179.9-170.10112E191 V226 H337E191-K317 WeakPolarHBondContact OE1-CD 3.44Å; E191-K317 VanDerWaalsContact OE1-CE 3.32Å; E191-K317 WeakPolarHBondContact OE1-CE 3.3Å; E191-K317 IonicContact OE1-NZ 3.21Å; E191-K317 PolarHBondContact OE1-NZ 3.4Å; V226-K317 HydrophobicContact CG1-CB 4.32Å; K317-H337 HydrophobicContact CB-CB 4.47Å; K317-H337 PolarHBondContact O-ND1 2.98Å; K317-H337 VanDerWaalsContact O-ND1 3.11Å
318A92.8Very high91.5Very high0 Ų050.9 Ų50.90%027%0.268CS..EExtended strand (participates in β ladder)trans-119.2153168.600000111.3V226 K227 V315 F321 I334 L335V226-A318 CarbonylContact C-O 3.57Å; V226-A318 VanDerWaalsContact CA-O 3.3Å; V226-A318 WeakPolarHBondContact CA-O 3.12Å; K227-A318 PolarHBondContact N-O 2.79Å; K227-A318 PolarHBondContact O-N 3.39Å; V315-A318 HydrophobicContact CG1-CB 3.7Å; A318-F321 HydrophobicContact CB-CE1 4.43Å; A318-F321 HydrophobicContact CB-CE2 4.28Å; A318-F321 HydrophobicContact CB-CZ 3.96Å; A318-I334 HydrophobicContact CB-CG2 3.95Å; A318-L335 CarbonylContact C-O 3.43Å; A318-L335 WeakPolarHBondContact CA-O 3.48Å; A318-L335 WeakPolarHBondContact CB-O 3.46Å
319S92.4Very high92Very high1 Ų150.3 Ų50.31%0.00726%0.263CS..EExtended strand (participates in β ladder)trans-71.1-21.5164.8-68.20000111.3N131 I132 L335 R336 H337N131-S319 WeakPolarHBondContact CA-O 3.35Å; I132-S319 WeakPolarHBondContact CG1-O 3.45Å; I132-S319 PolarHBondContact N-O 2.8Å; S319-L335 PolarHBondContact N-O 3.09Å; S319-R336 WeakPolarHBondContact CB-O 3.43Å; S319-R336 PolarHBondContact OG-O 2.87Å; S319-H337 WeakPolarHBondContact OG-CA 3.23Å
320G93.3Very high92.4Very high0 Ų045.8 Ų45.80%024%0.242CC..EExtended strand (participates in β ladder)trans158.7-171.6178.700000113.2W130 L335W130-G320 CarbonylContact O-C 3.48Å; W130-G320 WeakPolarHBondContact O-CA 3.44Å; G320-L335 WeakPolarHBondContact O-CB 3.12Å; G320-L335 PolarHBondContact O-N 3.43Å
321F95.1Very high92.7Very high1 Ų141.3 Ų41.30%0.00422%0.216CC..EExtended strand (participates in β ladder)trans-132.8140.2-176-55.2-89.7000109.1W130 K227 A229 L231 V315 A318 L332 D333 I334W130-F321 HydrophobicContact CD2-CD2 4.29Å; W130-F321 AromaticContact CE3-CD2 3.41Å; W130-F321 HydrophobicContact CE3-CD2 3.41Å; W130-F321 VanDerWaalsContact CE3-CD2 3.41Å; W130-F321 AromaticContact CE3-CE2 3.83Å; W130-F321 HydrophobicContact CE3-CE2 3.83Å; W130-F321 HydrophobicContact CE3-CG 4.39Å; W130-F321 AromaticContact CZ3-CD2 3.8Å; W130-F321 HydrophobicContact CZ3-CD2 3.8Å; W130-F321 AromaticContact CZ3-CE2 3.7Å; W130-F321 HydrophobicContact CZ3-CE2 3.7Å; W130-F321 PolarHBondContact N-O 2.88Å; W130-F321 PolarHBondContact O-N 3.19Å; K227-F321 HydrophobicContact CB-CD2 4.45Å; K227-F321 HydrophobicContact CB-CE2 3.84Å; A229-F321 HydrophobicContact CB-CE1 4.29Å; A229-F321 HydrophobicContact CB-CE2 3.67Å; A229-F321 HydrophobicContact CB-CZ 3.48Å; A229-F321 VanDerWaalsContact CB-CZ 3.48Å; L231-F321 HydrophobicContact CD1-CE1 4.18Å; V315-F321 HydrophobicContact CB-CE1 4.16Å; V315-F321 HydrophobicContact CB-CZ 3.99Å; V315-F321 HydrophobicContact CG1-CE1 4.09Å; V315-F321 HydrophobicContact CG1-CZ 3.88Å; V315-F321 HydrophobicContact CG2-CE1 4.18Å; V315-F321 HydrophobicContact CG2-CZ 4.5Å; A318-F321 HydrophobicContact CB-CE1 4.43Å; A318-F321 HydrophobicContact CB-CE2 4.28Å; A318-F321 HydrophobicContact CB-CZ 3.96Å; F321-L332 HydrophobicContact CB-CD1 4.25Å; F321-L332 HydrophobicContact CD1-CD1 4.26Å; F321-D333 WeakPolarHBondContact CA-O 3.41Å; F321-I334 HydrophobicContact CD1-CB 4.49Å; F321-I334 HydrophobicContact CD1-CG1 4.05Å; F321-I334 HydrophobicContact CD1-CG2 4.34Å; F321-I334 HydrophobicContact CE1-CB 4.49Å; F321-I334 HydrophobicContact CE1-CG1 4.1Å; F321-I334 HydrophobicContact CE1-CG2 3.95Å
322T95Very high92.9Very high3 Ų337.2 Ų37.22%0.01820%0.199CC..EExtended strand (participates in β ladder)trans-126.5126172-55.10000108.1I128 E129 T324 L332 D333 Y357I128-T322 CarbonylContact O-C 3.51Å; I128-T322 WeakPolarHBondContact O-CA 3.44Å; E129-T322 HydrophobicContact CG-CG2 4.06Å; T322-T324 HydrophobicContact CG2-CG2 4.08Å; T322-L332 WeakPolarHBondContact O-CA 3.01Å; T322-D333 PolarHBondContact N-O 3.04Å; T322-D333 PolarHBondContact O-N 2.82Å; T322-Y357 HydrophobicContact CG2-CD1 4.06Å
323I96.2Very high93Very high2 Ų231.5 Ų31.51%0.0117%0.172CC..EExtended strand (participates in β ladder)trans-116.4122.6-179.7-51.2168.2000107.6L100 G127 I128 I330 R331 L332 L371 L373 V397L100-I323 HydrophobicContact CD1-CG2 4.03Å; G127-I323 CarbonylContact C-O 3.41Å; G127-I323 WeakPolarHBondContact CA-O 3.09Å; I128-I323 HydrophobicContact CB-CB 4.17Å; I128-I323 HydrophobicContact CB-CD1 4.46Å; I128-I323 PolarHBondContact N-O 3.43Å; I128-I323 PolarHBondContact O-N 3.18Å; I323-I330 HydrophobicContact CG2-CG2 3.45Å; I323-I330 VanDerWaalsContact CG2-CG2 3.45Å; I323-R331 CarbonylContact C-O 3.5Å; I323-R331 WeakPolarHBondContact CA-O 3.5Å; I323-L332 HydrophobicContact CG1-CD1 3.78Å; I323-L371 HydrophobicContact CD1-CD2 3.66Å; I323-L371 HydrophobicContact CG1-CD2 3.91Å; I323-L371 HydrophobicContact CG2-CD2 4.04Å; I323-L373 HydrophobicContact CD1-CD2 4.37Å; I323-V397 HydrophobicContact CD1-CG2 4.1Å; I323-V397 HydrophobicContact CG2-CG1 4.14Å
324T94.7Very high93Very high16 Ų1629.7 Ų29.710%0.09816%0.162CC..EExtended strand (participates in β ladder)trans-136.9153.4-17852.60000111.1T322 R331 Y357T322-T324 HydrophobicContact CG2-CG2 4.08Å; T324-R331 PolarHBondContact N-O 2.83Å; T324-R331 PolarHBondContact O-N 3.25Å; T324-R331 WeakPolarHBondContact OG1-CD 3.4Å; T324-Y357 HydrophobicContact CG2-CD1 4.34Å; T324-Y357 HydrophobicContact CG2-CG 4.34Å
325P93.5Very high93Very high36 Ų3626.5 Ų26.523%0.23414%0.143CC..EExtended strand (participates in β ladder)trans-75.8125.7168.930.9-30.4000109.9L100 L126 L399L100-P325 HydrophobicContact CD2-CB 4.33Å; L100-P325 HydrophobicContact CG-CB 4.34Å; L100-P325 HydrophobicContact CG-CG 4.45Å; L126-P325 VanDerWaalsContact O-CD 3.26Å; L126-P325 WeakPolarHBondContact O-CD 3.33Å; P325-L399 HydrophobicContact CB-CD1 3.69Å
326E90.6Very high93Very high82 Ų8229.9 Ų29.938%0.38315%0.154SC..EExtended strand (participates in β ladder)trans-125.4101.1174.4-175.3164.6-167.600109.7D328 H329 R331E326-D328 PolarHBondContact O-N 3.18Å; E326-H329 PolarHBondContact N-O 2.97Å; E326-H329 PolarHBondContact O-N 2.98Å; E326-H329 VanDerWaalsContact O-N 3.11Å; E326-R331 HydrophobicContact CB-CB 3.82Å; E326-R331 IonicContact OE1-NH1 2.86Å; E326-R331 PolarHBondContact OE1-NH1 2.67Å; E326-R331 WeakPolarHBondContact OE2-CD 3.44Å; E326-R331 VanDerWaalsContact OE2-CG 3.31Å; E326-R331 WeakPolarHBondContact OE2-CG 3.31Å; E326-R331 IonicContact OE2-CZ 3.28Å; E326-R331 IonicContact OE2-NE 3.99Å; E326-R331 IonicContact OE2-NH1 2.83Å; E326-R331 PolarHBondContact OE2-NH1 3.14Å
327G87.5Confident93.1Very high56 Ų5626.9 Ų26.958%0.57714%0.14SC*.THydrogen-bonded Turntrans57.3-125.2-17100000110.6N98 H329N98-G327 PolarHBondContact ND2-O 2.76Å; G327-H329 VanDerWaalsContact C-N 3.33Å
328D87.7Confident93.2Very high28 Ų2823.3 Ų23.315%0.1513%0.127CC..THydrogen-bonded Turntrans-93.213.8-178.9-68.1-37.1000114.3N98 K247 Y251 E326 L399 R401N98-D328 PolarHBondContact ND2-OD1 3.3Å; K247-D328 WeakPolarHBondContact CE-OD2 3.47Å; K247-D328 IonicContact NZ-OD2 2.73Å; K247-D328 PolarHBondContact NZ-OD2 3.32Å; Y251-D328 PolarHBondContact OH-OD2 3.37Å; E326-D328 PolarHBondContact O-N 3.18Å; D328-L399 VanDerWaalsContact O-CD2 3.25Å; D328-L399 WeakPolarHBondContact O-CD2 3.39Å; D328-R401 PolarHBondContact O-NE 3.11Å; D328-R401 PolarHBondContact O-NH2 3.12Å
329H91.3Very high93Very high56 Ų5628.2 Ų28.226%0.25916%0.157SC..EExtended strand (participates in β ladder)trans-130166.2-175.9-52.4-67.1000112.1I236 E326 G327 D369I236-H329 HydrophobicContact CG2-CB 4.03Å; E326-H329 PolarHBondContact N-O 2.97Å; E326-H329 PolarHBondContact O-N 2.98Å; E326-H329 VanDerWaalsContact O-N 3.11Å; G327-H329 VanDerWaalsContact C-N 3.33Å; H329-D369 IonicContact CE1-OD1 3.41Å; H329-D369 IonicContact CG-OD1 3.05Å; H329-D369 IonicContact ND1-OD1 2.9Å; H329-D369 PolarHBondContact ND1-OD1 3.08Å
330I95Very high93Very high0 Ų030.5 Ų30.50%017%0.173CC..EExtended strand (participates in β ladder)trans-94.7127.1172.5-55.6171.9000107.8L100 I323 L367 C368 L371 V397 L399L100-I330 HydrophobicContact CD2-CG1 3.99Å; L100-I330 HydrophobicContact CD2-CG2 4.36Å; I323-I330 HydrophobicContact CG2-CG2 3.45Å; I323-I330 VanDerWaalsContact CG2-CG2 3.45Å; I330-L367 WeakPolarHBondContact O-CA 3.14Å; I330-C368 WeakPolarHBondContact CA-O 3.45Å; I330-C368 WeakPolarHBondContact CB-O 3.25Å; I330-C368 PolarHBondContact N-O 3.27Å; I330-C368 PolarHBondContact O-N 3.19Å; I330-L371 HydrophobicContact CG2-CD2 4.43Å; I330-V397 HydrophobicContact CD1-CG1 4.3Å; I330-V397 VanDerWaalsContact CD1-O 3.29Å; I330-V397 WeakPolarHBondContact CD1-O 3.32Å; I330-L399 HydrophobicContact CD1-CB 4.45Å; I330-L399 HydrophobicContact CG1-CB 3.97Å
331R95.4Very high92.9Very high31 Ų3133.4 Ų33.412%0.11718%0.184CC..EExtended strand (participates in β ladder)trans-99.4119172-179.4-157.6179.497.210109I323 T324 E326 D333 V365 L367I323-R331 CarbonylContact C-O 3.5Å; I323-R331 WeakPolarHBondContact CA-O 3.5Å; T324-R331 PolarHBondContact N-O 2.83Å; T324-R331 PolarHBondContact O-N 3.25Å; T324-R331 WeakPolarHBondContact OG1-CD 3.4Å; E326-R331 HydrophobicContact CB-CB 3.82Å; E326-R331 IonicContact OE1-NH1 2.86Å; E326-R331 PolarHBondContact OE1-NH1 2.67Å; E326-R331 WeakPolarHBondContact OE2-CD 3.44Å; E326-R331 VanDerWaalsContact OE2-CG 3.31Å; E326-R331 WeakPolarHBondContact OE2-CG 3.31Å; E326-R331 IonicContact OE2-CZ 3.28Å; E326-R331 IonicContact OE2-NE 3.99Å; E326-R331 IonicContact OE2-NH1 2.83Å; E326-R331 PolarHBondContact OE2-NH1 3.14Å; R331-D333 WeakPolarHBondContact CD-OD2 3.47Å; R331-D333 IonicContact CZ-OD1 3.75Å; R331-D333 IonicContact CZ-OD2 3.8Å; R331-D333 VanDerWaalsContact NE-CG 3.32Å; R331-D333 IonicContact NE-OD1 3.79Å; R331-D333 PolarHBondContact NE-OD1 2.61Å; R331-D333 IonicContact NE-OD2 2.8Å; R331-D333 PolarHBondContact NE-OD2 3.05Å; R331-D333 IonicContact NH2-OD1 2.87Å; R331-D333 PolarHBondContact NH2-OD1 2.82Å; R331-D333 IonicContact NH2-OD2 3.3Å; R331-V365 HydrophobicContact CG-CG1 3.93Å; R331-L367 HydrophobicContact CB-CD2 3.94Å; R331-L367 HydrophobicContact CG-CD2 4.12Å
332L95.6Very high92.8Very high0 Ų042 Ų420%022%0.217CC..EExtended strand (participates in β ladder)trans-105.7116.2170.6173.867.6000109L231 F321 T322 I323 I334 V365 I366 L371L231-L332 HydrophobicContact CD1-CD2 3.79Å; L231-L332 HydrophobicContact CD2-CD2 4.27Å; F321-L332 HydrophobicContact CB-CD1 4.25Å; F321-L332 HydrophobicContact CD1-CD1 4.26Å; T322-L332 WeakPolarHBondContact O-CA 3.01Å; I323-L332 HydrophobicContact CG1-CD1 3.78Å; L332-I334 HydrophobicContact CD2-CG1 4.27Å; L332-I334 HydrophobicContact CG-CG1 4.22Å; L332-V365 WeakPolarHBondContact O-CA 3.48Å; L332-I366 HydrophobicContact CB-CB 4.39Å; L332-I366 PolarHBondContact N-O 3.29Å; L332-I366 PolarHBondContact O-N 3.16Å; L332-L371 HydrophobicContact CB-CD2 4.31Å; L332-L371 HydrophobicContact CD1-CD2 4.13Å; L332-L371 HydrophobicContact CD2-CD1 3.97Å; L332-L371 HydrophobicContact CD2-CD2 4.3Å; L332-L371 HydrophobicContact CG-CD2 4.49Å
333D95.5Very high92.7Very high2 Ų242.8 Ų42.81%0.01122%0.221CC..EExtended strand (participates in β ladder)trans-99.3115.6168.9-61.9-69.2000109.2F321 T322 R331 V365F321-D333 WeakPolarHBondContact CA-O 3.41Å; T322-D333 PolarHBondContact N-O 3.04Å; T322-D333 PolarHBondContact O-N 2.82Å; R331-D333 WeakPolarHBondContact CD-OD2 3.47Å; R331-D333 IonicContact CZ-OD1 3.75Å; R331-D333 IonicContact CZ-OD2 3.8Å; R331-D333 VanDerWaalsContact NE-CG 3.32Å; R331-D333 IonicContact NE-OD1 3.79Å; R331-D333 PolarHBondContact NE-OD1 2.61Å; R331-D333 IonicContact NE-OD2 2.8Å; R331-D333 PolarHBondContact NE-OD2 3.05Å; R331-D333 IonicContact NH2-OD1 2.87Å; R331-D333 PolarHBondContact NH2-OD1 2.82Å; R331-D333 IonicContact NH2-OD2 3.3Å; D333-V365 VanDerWaalsContact OD1-CG2 3.25Å; D333-V365 WeakPolarHBondContact OD1-CG2 3.36Å
334I95.4Very high92.6Very high11 Ų1142.9 Ų42.96%0.05622%0.221CC..EExtended strand (participates in β ladder)trans-89.9110.6172-55.4169.1000107.3L231 L313 V315 A318 F321 L332 S363 Q364 I366L231-I334 HydrophobicContact CD1-CD1 4Å; L313-I334 HydrophobicContact CD2-CD1 3.82Å; V315-I334 HydrophobicContact CG1-CG2 3.93Å; V315-I334 HydrophobicContact CG2-CD1 4.05Å; A318-I334 HydrophobicContact CB-CG2 3.95Å; F321-I334 HydrophobicContact CD1-CB 4.49Å; F321-I334 HydrophobicContact CD1-CG1 4.05Å; F321-I334 HydrophobicContact CD1-CG2 4.34Å; F321-I334 HydrophobicContact CE1-CB 4.49Å; F321-I334 HydrophobicContact CE1-CG1 4.1Å; F321-I334 HydrophobicContact CE1-CG2 3.95Å; L332-I334 HydrophobicContact CD2-CG1 4.27Å; L332-I334 HydrophobicContact CG-CG1 4.22Å; I334-S363 CarbonylContact O-C 3.54Å; I334-S363 WeakPolarHBondContact O-CA 3.2Å; I334-S363 WeakPolarHBondContact O-CB 3.5Å; I334-Q364 HydrophobicContact CB-CB 4.34Å; I334-Q364 PolarHBondContact N-O 2.9Å; I334-Q364 PolarHBondContact O-N 2.93Å; I334-I366 HydrophobicContact CD1-CD1 3.81Å
335L93.6Very high92.4Very high1 Ų143.1 Ų43.11%0.00522%0.222CC..EExtended strand (participates in β ladder)trans-77.2127.3-175.7-55.1-179.6000110.4N131 A318 S319 G320 H337 F359N131-L335 HydrophobicContact CB-CD1 4.11Å; A318-L335 CarbonylContact C-O 3.43Å; A318-L335 WeakPolarHBondContact CA-O 3.48Å; A318-L335 WeakPolarHBondContact CB-O 3.46Å; S319-L335 PolarHBondContact N-O 3.09Å; G320-L335 WeakPolarHBondContact O-CB 3.12Å; G320-L335 PolarHBondContact O-N 3.43Å; L335-H337 PolarHBondContact O-N 2.61Å; L335-F359 HydrophobicContact CD1-CD1 4.09Å; L335-F359 HydrophobicContact CD1-CE1 4.34Å; L335-F359 HydrophobicContact CD2-CD1 3.76Å; L335-F359 HydrophobicContact CD2-CE1 4.13Å
336R93.1Very high92.4Very high89 Ų8947.9 Ų47.934%0.33624%0.241SC..EExtended strand (participates in β ladder)trans-58.4137178.4-170.8-178.265.490.9-10.2110.9S319 D343 Q347S319-R336 WeakPolarHBondContact CB-O 3.43Å; S319-R336 PolarHBondContact OG-O 2.87Å; R336-D343 IonicContact CZ-OD1 2.74Å; R336-D343 IonicContact CZ-OD2 2.95Å; R336-D343 VanDerWaalsContact CZ-OD2 3.3Å; R336-D343 IonicContact NH1-OD2 2.71Å; R336-D343 PolarHBondContact NH1-OD2 2.8Å; R336-D343 IonicContact NH2-OD1 3.3Å; R336-D343 PolarHBondContact NH2-OD1 3.38Å; R336-D343 IonicContact NH2-OD2 2.83Å; R336-D343 PolarHBondContact NH2-OD2 2.78Å; R336-Q347 PolarHBondContact O-OE1 2.75Å
337H92Very high92.4Very high54 Ų5444.1 Ų44.125%0.2522%0.223CC..PPolyproline II helixtrans-67.5148.3170.569.1-90000111.2V226 K317 S319 L335V226-H337 HydrophobicContact CG1-CB 3.91Å; K317-H337 HydrophobicContact CB-CB 4.47Å; K317-H337 PolarHBondContact O-ND1 2.98Å; K317-H337 VanDerWaalsContact O-ND1 3.11Å; S319-H337 WeakPolarHBondContact OG-CA 3.23Å; L335-H337 PolarHBondContact O-N 2.61Å
338S91.1Very high92.5Very high21 Ų2141.6 Ų41.615%0.14720%0.196CC..PPolyproline II helixtrans-77.1128.7176.1-43.90000111.1D343 H344 Q347S338-D343 WeakPolarHBondContact CA-OD2 2.93Å; S338-H344 VanDerWaalsContact OG-CA 3.32Å; S338-H344 WeakPolarHBondContact OG-CA 3.5Å; S338-Q347 PolarHBondContact OG-OE1 2.69Å
339T89.3Confident92.5Very high102 Ų10248.3 Ų48.363%0.62622%0.219SC*.SBendtrans-87.2-21.1-177.955.10000113.3D343T339-D343 PolarHBondContact N-OD2 2.92Å; T339-D343 PolarHBondContact OG1-OD2 2.74Å
340S92Very high92.4Very high50 Ų5048.4 Ų48.435%0.3523%0.226SC..SBendtrans-143.8167.8179.269.80000110.7W342 D343 H344S340-W342 VanDerWaalsContact C-N 3.33Å; S340-W342 PolarHBondContact O-N 2.92Å; S340-D343 PolarHBondContact O-N 3.33Å; S340-D343 WeakPolarHBondContact OG-CB 3.36Å; S340-D343 PolarHBondContact OG-N 2.75Å; S340-H344 WeakPolarHBondContact O-CB 3.5Å; S340-H344 PolarHBondContact O-N 3.14Å
341Y92.7Very high92.1Very high60 Ų6048.4 Ų48.424%0.23523%0.227CC..Hα-helixtrans-58.1-44.9173.9172.7-107.4000112.3T183 W186 D343 H344 I345T183-Y341 HydrophobicContact CG2-CE2 3.86Å; T183-Y341 VanDerWaalsContact CG2-OH 3.23Å; T183-Y341 WeakPolarHBondContact CG2-OH 3.43Å; T183-Y341 PolarHBondContact OG1-OH 3.37Å; W186-Y341 HydrophobicContact CB-CD2 4.35Å; W186-Y341 AromaticContact CD2-CD2 3.7Å; W186-Y341 HydrophobicContact CD2-CD2 3.7Å; W186-Y341 HydrophobicContact CD2-CG 4.4Å; W186-Y341 AromaticContact CE3-CD2 3.64Å; W186-Y341 HydrophobicContact CE3-CD2 3.64Å; W186-Y341 HydrophobicContact CE3-CG 4.27Å; W186-Y341 HydrophobicContact CG-CD2 4Å; W186-Y341 HydrophobicContact CZ3-CD2 4.21Å; W186-Y341 HydrophobicContact CZ3-CG 4.41Å; Y341-D343 PolarHBondContact O-N 2.88Å; Y341-H344 WeakPolarHBondContact O-CB 3.32Å; Y341-H344 PolarHBondContact O-N 3.47Å; Y341-I345 HydrophobicContact CD1-CG1 4.46Å; Y341-I345 HydrophobicContact CD2-CG1 4.15Å; Y341-I345 HydrophobicContact CE1-CG1 3.97Å; Y341-I345 HydrophobicContact CE2-CD1 3.79Å; Y341-I345 HydrophobicContact CE2-CG1 3.62Å; Y341-I345 WeakPolarHBondContact O-CG1 3.26Å; Y341-I345 PolarHBondContact O-N 3Å
342W93.1Very high91.4Very high183 Ų18347.5 Ų47.569%0.69322%0.224SC*.Hα-helixtrans-65.6-40.6-179.6-69.7114.6000112.2S340 H344 I345 Q346S340-W342 VanDerWaalsContact C-N 3.33Å; S340-W342 PolarHBondContact O-N 2.92Å; W342-H344 VanDerWaalsContact C-N 3.32Å; W342-H344 PolarHBondContact O-N 2.84Å; W342-I345 PolarHBondContact O-N 3.23Å; W342-Q346 WeakPolarHBondContact O-CB 3.44Å; W342-Q346 WeakPolarHBondContact O-CG 3.43Å; W342-Q346 PolarHBondContact O-N 3.36Å
343D92.6Very high90.8Very high19 Ų1952.8 Ų52.810%0.10225%0.252CS..Hα-helixtrans-60.2-43.1172.6-175.729.6000111.1R336 S338 T339 S340 Y341 I345 Q346 Q347R336-D343 IonicContact CZ-OD1 2.74Å; R336-D343 IonicContact CZ-OD2 2.95Å; R336-D343 VanDerWaalsContact CZ-OD2 3.3Å; R336-D343 IonicContact NH1-OD2 2.71Å; R336-D343 PolarHBondContact NH1-OD2 2.8Å; R336-D343 IonicContact NH2-OD1 3.3Å; R336-D343 PolarHBondContact NH2-OD1 3.38Å; R336-D343 IonicContact NH2-OD2 2.83Å; R336-D343 PolarHBondContact NH2-OD2 2.78Å; S338-D343 WeakPolarHBondContact CA-OD2 2.93Å; T339-D343 PolarHBondContact N-OD2 2.92Å; T339-D343 PolarHBondContact OG1-OD2 2.74Å; S340-D343 PolarHBondContact O-N 3.33Å; S340-D343 WeakPolarHBondContact OG-CB 3.36Å; S340-D343 PolarHBondContact OG-N 2.75Å; Y341-D343 PolarHBondContact O-N 2.88Å; D343-I345 PolarHBondContact O-N 3Å; D343-Q346 PolarHBondContact O-N 3.11Å; D343-Q347 WeakPolarHBondContact O-CB 3.41Å; D343-Q347 VanDerWaalsContact O-CG 3.31Å; D343-Q347 WeakPolarHBondContact O-CG 3.33Å; D343-Q347 PolarHBondContact O-N 3.01Å; D343-Q347 PolarHBondContact OD1-NE2 2.96Å; D343-Q347 PolarHBondContact OD2-NE2 3.38Å; D343-Q347 VanDerWaalsContact OD2-NE2 3.11Å
344H92.3Very high90.1Very high4 Ų453.7 Ų53.72%0.01926%0.258CS..Hα-helixtrans-59.2-49.1176178.784.5000112.4W133 S182 W186 S338 S340 Y341 W342 Q346 Q347 F348W133-H344 AromaticContact CH2-CE1 3.54Å; W133-H344 AromaticContact CH2-CG 3.97Å; W133-H344 AromaticContact CH2-ND1 3.28Å; W133-H344 VanDerWaalsContact CH2-ND1 3.28Å; W133-H344 WeakPolarHBondContact CH2-ND1 3.39Å; W133-H344 AromaticContact CZ3-CE1 3.12Å; W133-H344 WeakPolarHBondContact CZ3-CE1 3.48Å; W133-H344 AromaticContact CZ3-ND1 3.42Å; W133-H344 WeakPolarHBondContact CZ3-ND1 3.24Å; W133-H344 AromaticContact CZ3-NE2 3.66Å; S182-H344 PolarHBondContact OG-CD2 2.77Å; S182-H344 PolarHBondContact OG-NE2 3.17Å; W186-H344 AromaticContact CD1-CD2 3.78Å; W186-H344 AromaticContact CD1-CG 3.54Å; W186-H344 AromaticContact CD1-ND1 3.83Å; S338-H344 VanDerWaalsContact OG-CA 3.32Å; S338-H344 WeakPolarHBondContact OG-CA 3.5Å; S340-H344 WeakPolarHBondContact O-CB 3.5Å; S340-H344 PolarHBondContact O-N 3.14Å; Y341-H344 WeakPolarHBondContact O-CB 3.32Å; Y341-H344 PolarHBondContact O-N 3.47Å; W342-H344 VanDerWaalsContact C-N 3.32Å; W342-H344 PolarHBondContact O-N 2.84Å; H344-Q346 VanDerWaalsContact C-N 3.34Å; H344-Q346 PolarHBondContact O-N 3.05Å; H344-Q347 PolarHBondContact O-N 3.49Å; H344-F348 VanDerWaalsContact O-CB 3.31Å; H344-F348 WeakPolarHBondContact O-CB 3.41Å; H344-F348 PolarHBondContact O-N 2.84Å
345I92.3Very high89.3Confident20 Ų2060 Ų6010%0.10329%0.287CS..Hα-helixtrans-64.7-39.6179.2-66.1-59000111.5L179 Y341 W342 D343 R349L179-I345 HydrophobicContact CD1-CD1 3.92Å; L179-I345 HydrophobicContact CD1-CG2 3.64Å; Y341-I345 HydrophobicContact CD1-CG1 4.46Å; Y341-I345 HydrophobicContact CD2-CG1 4.15Å; Y341-I345 HydrophobicContact CE1-CG1 3.97Å; Y341-I345 HydrophobicContact CE2-CD1 3.79Å; Y341-I345 HydrophobicContact CE2-CG1 3.62Å; Y341-I345 WeakPolarHBondContact O-CG1 3.26Å; Y341-I345 PolarHBondContact O-N 3Å; W342-I345 PolarHBondContact O-N 3.23Å; D343-I345 PolarHBondContact O-N 3Å; I345-R349 VanDerWaalsContact O-CB 3.31Å; I345-R349 WeakPolarHBondContact O-CB 3.29Å; I345-R349 PolarHBondContact O-N 2.85Å
346Q91.7Very high88.5Confident137 Ų13761.6 Ų61.664%0.6430%0.298SS*.Hα-helixtrans-64.3-46.3176.2-76.7-176.7-1100111.8W342 D343 H344 R349 S350W342-Q346 WeakPolarHBondContact O-CB 3.44Å; W342-Q346 WeakPolarHBondContact O-CG 3.43Å; W342-Q346 PolarHBondContact O-N 3.36Å; D343-Q346 PolarHBondContact O-N 3.11Å; H344-Q346 VanDerWaalsContact C-N 3.34Å; H344-Q346 PolarHBondContact O-N 3.05Å; Q346-R349 PolarHBondContact O-N 3.35Å; Q346-S350 WeakPolarHBondContact O-CB 3.47Å; Q346-S350 PolarHBondContact O-N 2.92Å
347Q91.8Very high87.9Confident3 Ų358.2 Ų58.21%0.01429%0.285CS..Hα-helixtrans-61.9-46.6176.3-72.5178.634.200111.5W133 R336 S338 D343 H344 R349 S350 W351 F359W133-Q347 HydrophobicContact CH2-CB 4.03Å; W133-Q347 HydrophobicContact CZ2-CB 3.71Å; R336-Q347 PolarHBondContact O-OE1 2.75Å; S338-Q347 PolarHBondContact OG-OE1 2.69Å; D343-Q347 WeakPolarHBondContact O-CB 3.41Å; D343-Q347 VanDerWaalsContact O-CG 3.31Å; D343-Q347 WeakPolarHBondContact O-CG 3.33Å; D343-Q347 PolarHBondContact O-N 3.01Å; D343-Q347 PolarHBondContact OD1-NE2 2.96Å; D343-Q347 PolarHBondContact OD2-NE2 3.38Å; D343-Q347 VanDerWaalsContact OD2-NE2 3.11Å; H344-Q347 PolarHBondContact O-N 3.49Å; Q347-R349 PolarHBondContact O-N 2.91Å; Q347-S350 PolarHBondContact O-N 3.03Å; Q347-W351 WeakPolarHBondContact O-CB 3.36Å; Q347-W351 PolarHBondContact O-N 3.03Å; Q347-F359 HydrophobicContact CB-CZ 4.36Å
348F90.1Very high87.4Confident2 Ų258.1 Ų58.11%0.00929%0.29CS..Hα-helixtrans-58.6-48.1177.6-179.9-114.1000111.9W133 I136 E137 A178 S182 H344 S350 W351 L352W133-F348 HydrophobicContact CB-CD2 4.47Å; W133-F348 HydrophobicContact CD2-CD2 4.18Å; W133-F348 HydrophobicContact CE3-CB 3.92Å; W133-F348 AromaticContact CE3-CD2 3.45Å; W133-F348 HydrophobicContact CE3-CD2 3.45Å; W133-F348 VanDerWaalsContact CE3-CD2 3.45Å; W133-F348 HydrophobicContact CE3-CE2 4.4Å; W133-F348 HydrophobicContact CE3-CG 4.12Å; W133-F348 HydrophobicContact CH2-CB 4.14Å; W133-F348 HydrophobicContact CZ3-CB 3.57Å; W133-F348 AromaticContact CZ3-CD2 3.95Å; W133-F348 HydrophobicContact CZ3-CD2 3.95Å; W133-F348 HydrophobicContact CZ3-CG 4.17Å; I136-F348 HydrophobicContact CB-CE2 4.48Å; I136-F348 HydrophobicContact CG2-CE2 3.94Å; I136-F348 HydrophobicContact CG2-CZ 4.08Å; E137-F348 HydrophobicContact CG-CE2 4.37Å; E137-F348 VanDerWaalsContact OE1-CZ 3.32Å; E137-F348 WeakPolarHBondContact OE1-CZ 3.43Å; A178-F348 HydrophobicContact CB-CE1 4.15Å; A178-F348 HydrophobicContact CB-CZ 4.12Å; A178-F348 WeakPolarHBondContact O-CE1 3.44Å; S182-F348 VanDerWaalsContact CB-CD1 3.46Å; H344-F348 VanDerWaalsContact O-CB 3.31Å; H344-F348 WeakPolarHBondContact O-CB 3.41Å; H344-F348 PolarHBondContact O-N 2.84Å; F348-S350 VanDerWaalsContact C-N 3.33Å; F348-S350 PolarHBondContact O-N 3.4Å; F348-W351 HydrophobicContact CD2-CE3 4.16Å; F348-W351 HydrophobicContact CD2-CZ3 4.5Å; F348-W351 HydrophobicContact CE2-CE3 4.09Å; F348-W351 AromaticContact CE2-CZ3 3.99Å; F348-W351 HydrophobicContact CE2-CZ3 3.99Å; F348-W351 PolarHBondContact O-N 3.39Å; F348-L352 WeakPolarHBondContact O-CB 3.46Å; F348-L352 PolarHBondContact O-N 3.28Å
349R87.4Confident87Confident169 Ų16957.4 Ų57.464%0.63829%0.285SS*.Hα-helixtrans-62.6-42178.1-177.1176.8176.2172.2-0.8111.6I345 Q346 Q347 W351 L352 L353I345-R349 VanDerWaalsContact O-CB 3.31Å; I345-R349 WeakPolarHBondContact O-CB 3.29Å; I345-R349 PolarHBondContact O-N 2.85Å; Q346-R349 PolarHBondContact O-N 3.35Å; Q347-R349 PolarHBondContact O-N 2.91Å; R349-W351 VanDerWaalsContact C-N 3.33Å; R349-L352 PolarHBondContact O-N 3.14Å; R349-L353 HydrophobicContact CG-CD1 4.06Å; R349-L353 VanDerWaalsContact O-CG 3.32Å; R349-L353 WeakPolarHBondContact O-CG 3.4Å; R349-L353 PolarHBondContact O-N 2.94Å; R349-L353 VanDerWaalsContact O-N 3.12Å
350S88.7Confident86.4Confident58 Ų5858.4 Ų58.441%0.40628%0.28SS..Hα-helixtrans-64.7-39176.6177.60000111.6Q346 Q347 F348 S354 F359Q346-S350 WeakPolarHBondContact O-CB 3.47Å; Q346-S350 PolarHBondContact O-N 2.92Å; Q347-S350 PolarHBondContact O-N 3.03Å; F348-S350 VanDerWaalsContact C-N 3.33Å; F348-S350 PolarHBondContact O-N 3.4Å; S350-S354 WeakPolarHBondContact O-CB 3.35Å; S350-S354 PolarHBondContact O-N 2.85Å; S350-F359 WeakPolarHBondContact OG-CE2 3.3Å
351W87.8Confident85.3Confident1 Ų158.1 Ų58.10%0.00428%0.278CS..Hα-helixtrans-65.5-43.3174.1173.785.9000112.1W133 R134 E137 R158 Q347 F348 R349 L353 S354 F359W133-W351 HydrophobicContact CB-CD2 3.47Å; W133-W351 VanDerWaalsContact CB-CD2 3.47Å; W133-W351 HydrophobicContact CB-CE3 3.61Å; W133-W351 HydrophobicContact CB-CG 4.06Å; W133-W351 HydrophobicContact CB-CH2 3.83Å; W133-W351 HydrophobicContact CB-CZ2 3.73Å; W133-W351 HydrophobicContact CB-CZ3 3.78Å; W133-W351 AromaticContact CD1-CD1 3.77Å; W133-W351 AromaticContact CD1-CG 3.76Å; W133-W351 HydrophobicContact CG-CB 4.47Å; W133-W351 AromaticContact CG-CD2 3.94Å; W133-W351 HydrophobicContact CG-CD2 3.94Å; W133-W351 HydrophobicContact CG-CE3 4.3Å; W133-W351 HydrophobicContact CG-CG 4.01Å; R134-W351 HydrophobicContact CG-CZ2 4.08Å; E137-W351 HydrophobicContact CB-CH2 4.24Å; E137-W351 HydrophobicContact CG-CH2 3.65Å; E137-W351 HydrophobicContact CG-CZ3 3.51Å; R158-W351 PolarHBondContact NH2-O 2.89Å; Q347-W351 WeakPolarHBondContact O-CB 3.36Å; Q347-W351 PolarHBondContact O-N 3.03Å; F348-W351 HydrophobicContact CD2-CE3 4.16Å; F348-W351 HydrophobicContact CD2-CZ3 4.5Å; F348-W351 HydrophobicContact CE2-CE3 4.09Å; F348-W351 AromaticContact CE2-CZ3 3.99Å; F348-W351 HydrophobicContact CE2-CZ3 3.99Å; F348-W351 PolarHBondContact O-N 3.39Å; R349-W351 VanDerWaalsContact C-N 3.33Å; W351-L353 VanDerWaalsContact C-N 3.27Å; W351-L353 PolarHBondContact O-N 3.47Å; W351-S354 PolarHBondContact O-N 3.34Å; W351-S354 VanDerWaalsContact O-N 3.14Å; W351-S354 PolarHBondContact O-OG 3.07Å; W351-F359 VanDerWaalsContact CA-CD2 3.44Å; W351-F359 HydrophobicContact CB-CD1 4.38Å; W351-F359 HydrophobicContact CB-CD2 3.79Å; W351-F359 HydrophobicContact CB-CE1 4.39Å; W351-F359 HydrophobicContact CB-CE2 3.8Å; W351-F359 HydrophobicContact CB-CG 4.08Å; W351-F359 HydrophobicContact CB-CZ 4.09Å; W351-F359 AromaticContact CD1-CG 3.9Å; W351-F359 HydrophobicContact CG-CG 4.41Å; W351-F359 VanDerWaalsContact N-CE2 3.34Å
352L82.6Confident84.6Confident12 Ų1258 Ų586%0.06330%0.295CS..Hα-helixtrans-61.1-37.4179.5-165.766.8000112.4E137 L161 A178 F348 R349E137-L352 WeakPolarHBondContact OE1-CD1 3.12Å; L161-L352 HydrophobicContact CD1-CD1 3.61Å; L161-L352 HydrophobicContact CD1-CD2 4.12Å; L161-L352 HydrophobicContact CD1-CG 4.05Å; A178-L352 HydrophobicContact CB-CD2 4.1Å; F348-L352 WeakPolarHBondContact O-CB 3.46Å; F348-L352 PolarHBondContact O-N 3.28Å; R349-L352 PolarHBondContact O-N 3.14Å
353L81.4Confident84.2Confident111 Ų11150.3 Ų50.358%0.58127%0.269SS*.Hα-helixtrans-86.4-12.8179.2-63.6173.7000113.5R349 W351R349-L353 HydrophobicContact CG-CD1 4.06Å; R349-L353 VanDerWaalsContact O-CG 3.32Å; R349-L353 WeakPolarHBondContact O-CG 3.4Å; R349-L353 PolarHBondContact O-N 2.94Å; R349-L353 VanDerWaalsContact O-N 3.12Å; W351-L353 VanDerWaalsContact C-N 3.27Å; W351-L353 PolarHBondContact O-N 3.47Å
354S82.1Confident84.2Confident20 Ų2054.9 Ų54.914%0.1429%0.29CS..SBendtrans-76.5152.417970.80000111.8R158 S350 W351R158-S354 PolarHBondContact NH2-O 3.08Å; S350-S354 WeakPolarHBondContact O-CB 3.35Å; S350-S354 PolarHBondContact O-N 2.85Å; W351-S354 PolarHBondContact O-N 3.34Å; W351-S354 VanDerWaalsContact O-N 3.14Å; W351-S354 PolarHBondContact O-OG 3.07Å
355Q78.1Confident84.3Confident143 Ų14357.8 Ų57.867%0.66831%0.308SS*.PPolyproline II helixtrans-64.9152.3170-63.1-169.9-5.600109.9Y357 S358Q355-Y357 PolarHBondContact O-N 3.3Å; Q355-S358 WeakPolarHBondContact CB-OG 3.46Å; Q355-S358 PolarHBondContact N-OG 3.41Å; Q355-S358 PolarHBondContact O-N 3.28Å; Q355-S358 VanDerWaalsContact O-N 3.08Å; Q355-S358 PolarHBondContact O-OG 2.82Å; Q355-S358 VanDerWaalsContact O-OG 3.08Å
356P76.8Confident84.3Confident36 Ų3657.4 Ų57.423%0.23431%0.306CS..THydrogen-bonded Turntrans-50.3135.6175.4-26.235.2000111W65 S358W65-P356 HydrophobicContact CZ3-CG 4.21Å; P356-S358 PolarHBondContact O-N 2.81Å
357Y81.2Confident84.5Confident18 Ų1853.9 Ų53.97%0.07129%0.291CS..THydrogen-bonded Turntrans61.57.5179.6-47.3-83.2000116.2L126 G127 E129 T322 T324 Q355 W384 D386 N387L126-Y357 HydrophobicContact CB-CD2 3.63Å; L126-Y357 HydrophobicContact CB-CE2 3.63Å; L126-Y357 HydrophobicContact CB-CG 4.44Å; L126-Y357 HydrophobicContact CD1-CD2 4.26Å; L126-Y357 HydrophobicContact CD1-CE2 4.01Å; L126-Y357 HydrophobicContact CG-CE2 4.5Å; G127-Y357 WeakPolarHBondContact O-CE1 3.29Å; G127-Y357 PolarHBondContact O-OH 3.2Å; E129-Y357 HydrophobicContact CB-CE1 4.08Å; E129-Y357 HydrophobicContact CG-CD1 3.62Å; E129-Y357 HydrophobicContact CG-CE1 3.56Å; E129-Y357 WeakPolarHBondContact OE1-CA 2.99Å; E129-Y357 PolarHBondContact OE1-N 3.28Å; T322-Y357 HydrophobicContact CG2-CD1 4.06Å; T324-Y357 HydrophobicContact CG2-CD1 4.34Å; T324-Y357 HydrophobicContact CG2-CG 4.34Å; Q355-Y357 PolarHBondContact O-N 3.3Å; Y357-W384 PolarHBondContact OH-O 2.98Å; Y357-D386 VanDerWaalsContact OH-CA 3.31Å; Y357-D386 WeakPolarHBondContact OH-CA 3.21Å; Y357-D386 PolarHBondContact OH-N 3.23Å; Y357-N387 PolarHBondContact OH-N 2.9Å
358S81.6Confident84.6Confident51 Ų5153.8 Ų53.836%0.35729%0.291SS..  trans-105.94.1-177.291.60000114.3Q355 P356Q355-S358 WeakPolarHBondContact CB-OG 3.46Å; Q355-S358 PolarHBondContact N-OG 3.41Å; Q355-S358 PolarHBondContact O-N 3.28Å; Q355-S358 VanDerWaalsContact O-N 3.08Å; Q355-S358 PolarHBondContact O-OG 2.82Å; Q355-S358 VanDerWaalsContact O-OG 3.08Å; P356-S358 PolarHBondContact O-N 2.81Å
359F81.5Confident84.6Confident6 Ų655.2 Ų55.23%0.02630%0.298CS..  trans-75125.7-176.9180-109.2000111.6L335 Q347 S350 W351L335-F359 HydrophobicContact CD1-CD1 4.09Å; L335-F359 HydrophobicContact CD1-CE1 4.34Å; L335-F359 HydrophobicContact CD2-CD1 3.76Å; L335-F359 HydrophobicContact CD2-CE1 4.13Å; Q347-F359 HydrophobicContact CB-CZ 4.36Å; S350-F359 WeakPolarHBondContact OG-CE2 3.3Å; W351-F359 VanDerWaalsContact CA-CD2 3.44Å; W351-F359 HydrophobicContact CB-CD1 4.38Å; W351-F359 HydrophobicContact CB-CD2 3.79Å; W351-F359 HydrophobicContact CB-CE1 4.39Å; W351-F359 HydrophobicContact CB-CE2 3.8Å; W351-F359 HydrophobicContact CB-CG 4.08Å; W351-F359 HydrophobicContact CB-CZ 4.09Å; W351-F359 AromaticContact CD1-CG 3.9Å; W351-F359 HydrophobicContact CG-CG 4.41Å; W351-F359 VanDerWaalsContact N-CE2 3.34Å
360K76.4Confident84.7Confident124 Ų12452.1 Ų52.154%0.53929%0.29SS..  trans-129.116.7-171.4-64-178.3-179.8-178.20115G362 S363K360-G362 PolarHBondContact O-N 3.42Å; K360-S363 PolarHBondContact O-N 3.26Å; K360-S363 PolarHBondContact O-OG 2.97Å
361S68.8Low85.1Confident43 Ų4349.4 Ų49.430%0.30127%0.271SS..THydrogen-bonded Turntrans-64.8100.6-170.8-166.20000112.1S363S361-S363 PolarHBondContact O-N 3.39Å
362G79.2Confident85.5Confident57 Ų5754.3 Ų54.359%0.58829%0.289SS*.THydrogen-bonded Turntrans61.324.4178.900000114.6K360K360-G362 PolarHBondContact O-N 3.42Å
363S85.1Confident86.1Confident22 Ų2253.8 Ų53.815%0.15429%0.286CS..  trans-74.3135.8-176.3530000112.1I334 K360 S361I334-S363 CarbonylContact O-C 3.54Å; I334-S363 WeakPolarHBondContact O-CA 3.2Å; I334-S363 WeakPolarHBondContact O-CB 3.5Å; K360-S363 PolarHBondContact O-N 3.26Å; K360-S363 PolarHBondContact O-OG 2.97Å; S361-S363 PolarHBondContact O-N 3.39Å
364Q92.4Very high86.7Confident115 Ų11549.3 Ų49.354%0.53726%0.262SS..EExtended strand (participates in β ladder)trans-76.6125.9165.1-179.3-179.56.500108.3I334I334-Q364 HydrophobicContact CB-CB 4.34Å; I334-Q364 PolarHBondContact N-O 2.9Å; I334-Q364 PolarHBondContact O-N 2.93Å
365V93.1Very high87.2Confident65 Ų6549 Ų4939%0.39426%0.259SS..EExtended strand (participates in β ladder)trans-104.8127.8-177.1-169.10000109.4R331 L332 D333R331-V365 HydrophobicContact CG-CG1 3.93Å; L332-V365 WeakPolarHBondContact O-CA 3.48Å; D333-V365 VanDerWaalsContact OD1-CG2 3.25Å; D333-V365 WeakPolarHBondContact OD1-CG2 3.36Å
366I93.7Very high87.6Confident13 Ų1342.6 Ų42.67%0.06723%0.232CC..EExtended strand (participates in β ladder)trans-120.2122.3173.8-58.5177.2000107.9Y233 L313 L332 I334Y233-I366 HydrophobicContact CD2-CG2 3.73Å; Y233-I366 HydrophobicContact CE1-CD1 4.23Å; Y233-I366 HydrophobicContact CE2-CG2 3.47Å; Y233-I366 VanDerWaalsContact CE2-CG2 3.47Å; Y233-I366 HydrophobicContact CG-CG2 4.39Å; L313-I366 HydrophobicContact CD2-CD1 3.84Å; L332-I366 HydrophobicContact CB-CB 4.39Å; L332-I366 PolarHBondContact N-O 3.29Å; L332-I366 PolarHBondContact O-N 3.16Å; I334-I366 HydrophobicContact CD1-CD1 3.81Å
367L94.1Very high87.9Confident63 Ų6342 Ų4233%0.3323%0.226SC..EExtended strand (participates in β ladder)trans-93.4128.1168.9-64.4177.1000108.6I236 I330 R331I236-L367 HydrophobicContact CD1-CB 4.23Å; I236-L367 HydrophobicContact CD1-CD1 4.28Å; I236-L367 HydrophobicContact CG1-CB 4.47Å; I236-L367 HydrophobicContact CG2-CB 3.69Å; I236-L367 PolarHBondContact N-O 3.48Å; I330-L367 WeakPolarHBondContact O-CA 3.14Å; R331-L367 HydrophobicContact CB-CD2 3.94Å; R331-L367 HydrophobicContact CG-CD2 4.12Å
368C93.7Very high88Confident0 Ų044.4 Ų44.40%024%0.243CC..EExtended strand (participates in β ladder)trans-143.6156.9-175.657.40000112Y233 T234 I330Y233-C368 HydrophobicContact CD2-CB 4.05Å; T234-C368 CarbonylContact O-C 3.45Å; T234-C368 WeakPolarHBondContact O-CA 3.43Å; T234-C368 WeakPolarHBondContact O-CB 3.5Å; I330-C368 WeakPolarHBondContact CA-O 3.45Å; I330-C368 WeakPolarHBondContact CB-O 3.25Å; I330-C368 PolarHBondContact N-O 3.27Å; I330-C368 PolarHBondContact O-N 3.19Å
369D90.2Very high88.1Confident32 Ų3246.5 Ų46.517%0.17125%0.247CC..EExtended strand (participates in β ladder)trans-92.1-29.6175.6-75.2-37.7000112.2T234 H329 R401T234-D369 PolarHBondContact O-N 2.58Å; H329-D369 IonicContact CE1-OD1 3.41Å; H329-D369 IonicContact CG-OD1 3.05Å; H329-D369 IonicContact ND1-OD1 2.9Å; H329-D369 PolarHBondContact ND1-OD1 3.08Å; D369-R401 IonicContact OD1-NH2 3.78Å
370K91.3Very high88.2Confident104 Ų10447.4 Ų47.445%0.45225%0.252SS..EExtended strand (participates in β ladder)trans-138.8143.9174.9-63.3-176.9177.2-177.60109.3Y233 T234Y233-K370 VanDerWaalsContact CA-O 3.22Å; Y233-K370 WeakPolarHBondContact CA-O 3.49Å; Y233-K370 WeakPolarHBondContact CB-O 3.31Å; T234-K370 PolarHBondContact N-O 2.9Å; T234-K370 WeakPolarHBondContact OG1-CB 3.46Å; T234-K370 PolarHBondContact OG1-N 3.43Å; T234-K370 VanDerWaalsContact OG1-N 3.13Å
371L96Very high88.8Confident1 Ų141.8 Ų41.81%0.00523%0.228CC..EExtended strand (participates in β ladder)trans-138.7133179.3175.663.5000109.7L231 I323 I330 L332 E396 V397L231-L371 HydrophobicContact CD2-CD1 4.31Å; I323-L371 HydrophobicContact CD1-CD2 3.66Å; I323-L371 HydrophobicContact CG1-CD2 3.91Å; I323-L371 HydrophobicContact CG2-CD2 4.04Å; I330-L371 HydrophobicContact CG2-CD2 4.43Å; L332-L371 HydrophobicContact CB-CD2 4.31Å; L332-L371 HydrophobicContact CD1-CD2 4.13Å; L332-L371 HydrophobicContact CD2-CD1 3.97Å; L332-L371 HydrophobicContact CD2-CD2 4.3Å; L332-L371 HydrophobicContact CG-CD2 4.49Å; L371-E396 CarbonylContact O-C 3.58Å; L371-E396 WeakPolarHBondContact O-CA 3.33Å; L371-V397 HydrophobicContact CB-CB 4.45Å; L371-V397 PolarHBondContact N-O 3.03Å; L371-V397 PolarHBondContact O-N 2.99Å
372R95.5Very high89.8Confident105 Ų10540.2 Ų40.240%0.39622%0.215SC..EExtended strand (participates in β ladder)trans-119.1133.9161.4-50.1177166.9165.8-5.9109.2L231 T232 F374 I395 E396L231-R372 WeakPolarHBondContact CA-O 3.27Å; T232-R372 PolarHBondContact N-O 3.03Å; T232-R372 PolarHBondContact O-N 3.36Å; T232-R372 VanDerWaalsContact OG1-CB 3.31Å; T232-R372 WeakPolarHBondContact OG1-CB 3.4Å; R372-F374 HydrophobicContact CB-CD2 4.36Å; R372-F374 HydrophobicContact CB-CE2 3.61Å; R372-F374 HydrophobicContact CB-CZ 4.16Å; R372-I395 CarbonylContact C-O 3.59Å; R372-I395 VanDerWaalsContact CA-O 3.24Å; R372-I395 WeakPolarHBondContact CA-O 3.45Å; R372-E396 HydrophobicContact CG-CB 3.99Å; R372-E396 HydrophobicContact CG-CG 3.94Å; R372-E396 IonicContact CZ-OE2 2.74Å; R372-E396 VanDerWaalsContact CZ-OE2 3.28Å; R372-E396 IonicContact NE-OE2 2.64Å; R372-E396 PolarHBondContact NE-OE2 2.94Å; R372-E396 IonicContact NH2-OE2 2.64Å; R372-E396 PolarHBondContact NH2-OE2 3.33Å
373L95.2Very high90.4Very high1 Ų137.7 Ų37.71%0.00519%0.188CC..EExtended strand (participates in β ladder)trans-115.6117.8-179.2174.169.8000108.2W130 A229 L231 I323 P375 Y383 P394 I395W130-L373 HydrophobicContact CE3-CD1 4.25Å; W130-L373 HydrophobicContact CE3-CD2 3.96Å; W130-L373 HydrophobicContact CE3-CG 4.46Å; W130-L373 HydrophobicContact CZ3-CD1 4.13Å; W130-L373 HydrophobicContact CZ3-CD2 4.48Å; A229-L373 HydrophobicContact CB-CD1 3.8Å; L231-L373 HydrophobicContact CD2-CB 4.38Å; L231-L373 HydrophobicContact CD2-CD1 3.29Å; L231-L373 HydrophobicContact CD2-CG 4.44Å; I323-L373 HydrophobicContact CD1-CD2 4.37Å; L373-P375 WeakPolarHBondContact O-CD 3.3Å; L373-Y383 HydrophobicContact CD2-CE1 3.7Å; L373-P394 WeakPolarHBondContact O-CA 3.44Å; L373-I395 HydrophobicContact CB-CG1 4Å; L373-I395 HydrophobicContact CD2-CD1 4.3Å; L373-I395 HydrophobicContact CD2-CG1 4.38Å; L373-I395 PolarHBondContact N-O 3.19Å; L373-I395 PolarHBondContact O-N 3.47Å
374F94.3Very high90.6Very high17 Ų1736.7 Ų36.78%0.07518%0.181CC..EExtended strand (participates in β ladder)trans-109100.3175.7-61.9-93.1000108.3Y197 A229 R230 T232 R372 G376 P394Y197-F374 PolarHBondContact OH-O 3.46Å; A229-F374 CarbonylContact C-O 3.55Å; A229-F374 VanDerWaalsContact CA-O 3.28Å; A229-F374 WeakPolarHBondContact CA-O 3.23Å; R230-F374 HydrophobicContact CB-CB 4.1Å; R230-F374 PolarHBondContact N-O 3.45Å; R230-F374 WeakPolarHBondContact O-CB 3.48Å; R230-F374 PolarHBondContact O-N 3.34Å; T232-F374 HydrophobicContact CG2-CE2 4.24Å; R372-F374 HydrophobicContact CB-CD2 4.36Å; R372-F374 HydrophobicContact CB-CE2 3.61Å; R372-F374 HydrophobicContact CB-CZ 4.16Å; F374-G376 PolarHBondContact O-N 2.94Å; F374-P394 HydrophobicContact CD1-CB 3.66Å; F374-P394 HydrophobicContact CD1-CG 4.21Å; F374-P394 HydrophobicContact CE1-CB 4Å; F374-P394 HydrophobicContact CG-CB 4.48Å
375P92.3Very high90.5Very high12 Ų1231.4 Ų31.48%0.07816%0.156CC..EExtended strand (participates in β ladder)trans-66.9132.4177.830.3-35.2000109.1W130 L373 Q377 T378 Y383W130-P375 HydrophobicContact CH2-CB 3.25Å; W130-P375 HydrophobicContact CZ2-CB 3.66Å; W130-P375 HydrophobicContact CZ3-CB 3.79Å; L373-P375 WeakPolarHBondContact O-CD 3.3Å; P375-Q377 PolarHBondContact O-N 3.45Å; P375-T378 HydrophobicContact CG-CG2 3.71Å; P375-Y383 WeakPolarHBondContact CD-OH 3.39Å; P375-Y383 WeakPolarHBondContact CG-OH 3.24Å
376G86.5Confident90.2Very high9 Ų928.4 Ų28.49%0.09314%0.138CC..SBendtrans-68.1-1717800000113.4I196 L228 F374I196-G376 WeakPolarHBondContact CD1-O 3.31Å; L228-G376 PolarHBondContact O-N 3.23Å; F374-G376 PolarHBondContact O-N 2.94Å
377Q83.4Confident89.6Confident25 Ų2527.9 Ų27.912%0.11714%0.136CC..  trans-142.8134.2175.3-66.4170.6700108.5F142 I196 P375F142-Q377 HydrophobicContact CD2-CB 4.46Å; F142-Q377 VanDerWaalsContact CD2-OE1 3.24Å; I196-Q377 HydrophobicContact CD1-CG 3.74Å; P375-Q377 PolarHBondContact O-N 3.45Å
378T83.7Confident89.1Confident67 Ų6726.2 Ų26.241%0.41113%0.127SC..  trans-112.9-19.8-179.6510000112.6P375 N380 E381 A392P375-T378 HydrophobicContact CG-CG2 3.71Å; T378-N380 PolarHBondContact O-N 2.86Å; T378-E381 PolarHBondContact O-N 3.25Å; T378-A392 WeakPolarHBondContact CB-O 3.28Å; T378-A392 WeakPolarHBondContact CG2-O 3.32Å
379E82.8Confident88.8Confident95 Ų9530.1 Ų30.144%0.44414%0.142SC..THydrogen-bonded Turntrans-69.4119.5-174.5-159.9-167.4160.700112E381E379-E381 PolarHBondContact O-N 2.94Å
380N84.3Confident88.7Confident26 Ų2631.1 Ų31.114%0.13915%0.145CC..THydrogen-bonded Turntrans58.721.3-176-50.4-63.4000114.2G141 K149 T378 Y382G141-N380 CarbonylContact C-O 3.6Å; G141-N380 VanDerWaalsContact CA-O 3.3Å; G141-N380 WeakPolarHBondContact CA-O 3.49Å; G141-N380 PolarHBondContact N-O 2.83Å; K149-N380 WeakPolarHBondContact CG-OD1 3.36Å; T378-N380 PolarHBondContact O-N 2.86Å; N380-Y382 WeakPolarHBondContact O-CD2 3.49Å; N380-Y382 WeakPolarHBondContact O-CE2 3.34Å
381E88.4Confident88.6Confident6 Ų631.9 Ų31.93%0.02815%0.15CC..  trans-99144.9176.3-75.8-69.8154.600110.1W130 G141 F142 K227 T378 E379 A392W130-E381 PolarHBondContact NE1-OE2 3.02Å; G141-E381 WeakPolarHBondContact CA-OE1 3.29Å; F142-E381 PolarHBondContact N-OE1 2.84Å; K227-E381 IonicContact NZ-OE1 2.83Å; K227-E381 PolarHBondContact NZ-OE1 2.82Å; K227-E381 IonicContact NZ-OE2 3.49Å; K227-E381 PolarHBondContact NZ-OE2 3.27Å; T378-E381 PolarHBondContact O-N 3.25Å; E379-E381 PolarHBondContact O-N 2.94Å; E381-A392 HydrophobicContact CB-CB 3.61Å; E381-A392 WeakPolarHBondContact O-CB 3.39Å; E381-A392 PolarHBondContact O-N 2.96Å
382Y90.5Very high88.3Confident9 Ų931.9 Ų31.94%0.03515%0.15CC..EExtended strand (participates in β ladder)trans-138.4136.1-174.2-58.1-87.5000112.6K149 P151 N380 Y389 F390 E391K149-Y382 VanDerWaalsContact O-CE2 3.27Å; K149-Y382 WeakPolarHBondContact O-CE2 3.46Å; K149-Y382 PolarHBondContact O-OH 3.19Å; P151-Y382 HydrophobicContact CG-CD1 4.09Å; P151-Y382 HydrophobicContact CG-CD2 3.59Å; P151-Y382 HydrophobicContact CG-CE1 4.28Å; P151-Y382 HydrophobicContact CG-CE2 3.82Å; P151-Y382 HydrophobicContact CG-CG 3.74Å; N380-Y382 WeakPolarHBondContact O-CD2 3.49Å; N380-Y382 WeakPolarHBondContact O-CE2 3.34Å; Y382-Y389 AromaticContact CD1-CD2 3.79Å; Y382-Y389 HydrophobicContact CD1-CD2 3.79Å; Y382-Y389 HydrophobicContact CE1-CD2 4.13Å; Y382-Y389 HydrophobicContact CE1-CE2 4.43Å; Y382-F390 CarbonylContact C-O 3.53Å; Y382-F390 WeakPolarHBondContact CA-O 3.48Å; Y382-E391 HydrophobicContact CD1-CG 4.17Å; Y382-E391 HydrophobicContact CE1-CG 3.74Å
383Y92.3Very high88.2Confident4 Ų430.4 Ų30.42%0.01615%0.148CC..EExtended strand (participates in β ladder)trans-86138.2164.9-60.7-41.6000110.6W130 L373 P375 Y389 F390 A392 H393 I395W130-Y383 HydrophobicContact CB-CD1 3.67Å; W130-Y383 HydrophobicContact CB-CE1 3.93Å; W130-Y383 AromaticContact CD1-CD1 3.96Å; W130-Y383 HydrophobicContact CD2-CD1 4.24Å; W130-Y383 AromaticContact CD2-CE1 3.72Å; W130-Y383 HydrophobicContact CD2-CE1 3.72Å; W130-Y383 HydrophobicContact CE3-CE1 4Å; W130-Y383 AromaticContact CG-CD1 3.66Å; W130-Y383 HydrophobicContact CG-CD1 3.66Å; W130-Y383 AromaticContact CG-CE1 3.65Å; W130-Y383 HydrophobicContact CG-CE1 3.65Å; L373-Y383 HydrophobicContact CD2-CE1 3.7Å; P375-Y383 WeakPolarHBondContact CD-OH 3.39Å; P375-Y383 WeakPolarHBondContact CG-OH 3.24Å; Y383-Y389 CarbonylContact O-C 3.56Å; Y383-Y389 WeakPolarHBondContact O-CA 3.1Å; Y383-F390 PolarHBondContact N-O 2.6Å; Y383-F390 PolarHBondContact O-N 3.01Å; Y383-A392 HydrophobicContact CD1-CB 4.38Å; Y383-A392 HydrophobicContact CD2-CB 4.44Å; Y383-A392 HydrophobicContact CE1-CB 4.12Å; Y383-A392 HydrophobicContact CE2-CB 4.17Å; Y383-H393 WeakPolarHBondContact CE2-O 3.31Å; Y383-H393 PolarHBondContact OH-O 3.38Å; Y383-I395 HydrophobicContact CD2-CD1 4.08Å; Y383-I395 HydrophobicContact CD2-CG2 4.35Å; Y383-I395 HydrophobicContact CE2-CB 4.49Å; Y383-I395 HydrophobicContact CE2-CD1 3.74Å; Y383-I395 HydrophobicContact CE2-CG1 3.94Å; Y383-I395 HydrophobicContact CE2-CG2 3.78Å
384W89.6Confident88.1Confident1 Ų131.5 Ų31.50%0.00416%0.155CC..EExtended strand (participates in β ladder)trans-107.4104.5178-6784000109.9I128 E129 R134 L138 P151 P154 Y357 D388 Y389I128-W384 CarbonylContact C-O 3.48Å; I128-W384 WeakPolarHBondContact CA-O 3.5Å; E129-W384 HydrophobicContact CB-CB 4.08Å; E129-W384 PolarHBondContact N-O 2.99Å; E129-W384 WeakPolarHBondContact O-CB 3.32Å; E129-W384 PolarHBondContact O-N 3.3Å; R134-W384 HydrophobicContact CB-CD2 4.4Å; R134-W384 HydrophobicContact CB-CG 4.19Å; R134-W384 VanDerWaalsContact CB-NE1 3.33Å; R134-W384 HydrophobicContact CG-CB 4.48Å; R134-W384 HydrophobicContact CG-CD2 4.28Å; R134-W384 HydrophobicContact CG-CG 3.83Å; L138-W384 HydrophobicContact CB-CH2 3.69Å; L138-W384 HydrophobicContact CB-CZ2 3.72Å; L138-W384 HydrophobicContact CD1-CD2 4.36Å; L138-W384 HydrophobicContact CD1-CE3 3.95Å; L138-W384 HydrophobicContact CD1-CH2 3.05Å; L138-W384 HydrophobicContact CD1-CZ2 3.51Å; L138-W384 HydrophobicContact CD1-CZ3 3.29Å; L138-W384 HydrophobicContact CG-CH2 3.91Å; L138-W384 HydrophobicContact CG-CZ2 4.19Å; P151-W384 HydrophobicContact CB-CH2 3.57Å; P151-W384 HydrophobicContact CB-CZ2 3.6Å; P151-W384 HydrophobicContact CG-CH2 4.2Å; P151-W384 HydrophobicContact CG-CZ2 3.89Å; P154-W384 HydrophobicContact CB-CZ3 4.14Å; Y357-W384 PolarHBondContact OH-O 2.98Å; W384-D388 CarbonylContact C-O 3.45Å; W384-D388 VanDerWaalsContact CA-O 3.3Å; W384-D388 WeakPolarHBondContact CA-O 3.34Å; W384-Y389 HydrophobicContact CH2-CD1 4.05Å; W384-Y389 HydrophobicContact CH2-CG 4.21Å; W384-Y389 HydrophobicContact CZ3-CD1 4.15Å; W384-Y389 HydrophobicContact CZ3-CG 4.39Å
385I90.1Very high88.2Confident5 Ų531.1 Ų31.13%0.02615%0.154CC..EExtended strand (participates in β ladder)trans-110.2113.3-176.7-53.1-176.3000108A102 T122 A124 I128 N387 D388 F390A102-I385 HydrophobicContact CB-CD1 4.4Å; T122-I385 HydrophobicContact CG2-CD1 3.89Å; T122-I385 HydrophobicContact CG2-CG2 4.19Å; A124-I385 HydrophobicContact CB-CG2 3.41Å; A124-I385 VanDerWaalsContact CB-CG2 3.41Å; I128-I385 HydrophobicContact CB-CG1 4.47Å; I128-I385 HydrophobicContact CD1-CD1 4.5Å; I128-I385 HydrophobicContact CG1-CD1 4.44Å; I128-I385 HydrophobicContact CG1-CG1 4.09Å; I128-I385 HydrophobicContact CG1-CG2 4.5Å; I128-I385 HydrophobicContact CG2-CG1 4.06Å; I385-N387 PolarHBondContact O-N 3.41Å; I385-N387 VanDerWaalsContact O-N 3.14Å; I385-D388 PolarHBondContact N-O 2.79Å; I385-D388 PolarHBondContact O-N 3.15Å; I385-F390 HydrophobicContact CB-CD2 3.93Å; I385-F390 HydrophobicContact CB-CE2 3.76Å; I385-F390 HydrophobicContact CD1-CD2 3.73Å; I385-F390 HydrophobicContact CD1-CE2 4.09Å; I385-F390 HydrophobicContact CD1-CG 4.26Å; I385-F390 HydrophobicContact CG1-CD2 3.78Å; I385-F390 HydrophobicContact CG1-CE2 4.11Å
386D86.6Confident88.3Confident1 Ų132.2 Ų32.21%0.00516%0.158CC..THydrogen-bonded Turntrans43.544.5-174.6-53.3-28.7000114.5Q35 A124 L125 L126 G127 Y357 D388Q35-D386 HydrophobicContact CB-CB 4Å; Q35-D386 HydrophobicContact CG-CB 3.93Å; Q35-D386 VanDerWaalsContact CG-OD2 3.24Å; Q35-D386 WeakPolarHBondContact CG-OD2 3.42Å; A124-D386 WeakPolarHBondContact CA-OD2 3.42Å; L125-D386 WeakPolarHBondContact CB-OD2 3.42Å; L125-D386 PolarHBondContact N-OD1 2.84Å; L125-D386 PolarHBondContact N-OD2 3.44Å; L126-D386 WeakPolarHBondContact CA-OD1 3.45Å; L126-D386 VanDerWaalsContact CB-OD1 3.28Å; L126-D386 WeakPolarHBondContact CB-OD1 3.12Å; L126-D386 PolarHBondContact N-OD1 3.11Å; G127-D386 PolarHBondContact N-OD1 2.8Å; G127-D386 VanDerWaalsContact N-OD1 3.14Å; G127-D386 PolarHBondContact O-N 2.68Å; Y357-D386 VanDerWaalsContact OH-CA 3.31Å; Y357-D386 WeakPolarHBondContact OH-CA 3.21Å; Y357-D386 PolarHBondContact OH-N 3.23Å; D386-D388 VanDerWaalsContact C-N 3.29Å; D386-D388 PolarHBondContact O-N 3.44Å
387N80.3Confident88.7Confident3 Ų331.8 Ų31.82%0.01615%0.153CC..THydrogen-bonded Turntrans69.52-175-57-55.8000117.3W65 R134 P154 Y357 I385W65-N387 HydrophobicContact CG-CB 4.47Å; R134-N387 PolarHBondContact NH1-OD1 3.37Å; R134-N387 PolarHBondContact NH2-OD1 2.85Å; R134-N387 VanDerWaalsContact NH2-OD1 3.15Å; P154-N387 WeakPolarHBondContact CB-O 3.31Å; P154-N387 WeakPolarHBondContact CG-O 3.49Å; Y357-N387 PolarHBondContact OH-N 2.9Å; I385-N387 PolarHBondContact O-N 3.41Å; I385-N387 VanDerWaalsContact O-N 3.14Å
388D84.4Confident89.2Confident28 Ų2831.9 Ų31.915%0.1515%0.154CC..EExtended strand (participates in β ladder)trans-90.3155.4163.9-156.93.2000110.4N32 K36 W384 I385 D386 F390N32-D388 PolarHBondContact OD1-OD2 3.06Å; K36-D388 WeakPolarHBondContact CE-OD2 3.14Å; K36-D388 IonicContact NZ-OD2 3.19Å; W384-D388 CarbonylContact C-O 3.45Å; W384-D388 VanDerWaalsContact CA-O 3.3Å; W384-D388 WeakPolarHBondContact CA-O 3.34Å; I385-D388 PolarHBondContact N-O 2.79Å; I385-D388 PolarHBondContact O-N 3.15Å; D386-D388 VanDerWaalsContact C-N 3.29Å; D386-D388 PolarHBondContact O-N 3.44Å; D388-F390 HydrophobicContact CB-CE2 3.92Å; D388-F390 HydrophobicContact CB-CZ 4.39Å
389Y86.8Confident89.7Confident82 Ų8229.7 Ų29.732%0.32214%0.14SC..EExtended strand (participates in β ladder)trans-111.8140-177.668.6-92.4000112.6P151 Y382 Y383 W384P151-Y389 HydrophobicContact CB-CD1 4.22Å; P151-Y389 HydrophobicContact CB-CE1 4.48Å; P151-Y389 HydrophobicContact CB-CG 4.27Å; P151-Y389 HydrophobicContact CG-CD1 4.37Å; P151-Y389 HydrophobicContact CG-CD2 3.88Å; P151-Y389 HydrophobicContact CG-CE2 4.31Å; P151-Y389 HydrophobicContact CG-CG 3.94Å; Y382-Y389 AromaticContact CD1-CD2 3.79Å; Y382-Y389 HydrophobicContact CD1-CD2 3.79Å; Y382-Y389 HydrophobicContact CE1-CD2 4.13Å; Y382-Y389 HydrophobicContact CE1-CE2 4.43Å; Y383-Y389 CarbonylContact O-C 3.56Å; Y383-Y389 WeakPolarHBondContact O-CA 3.1Å; W384-Y389 HydrophobicContact CH2-CD1 4.05Å; W384-Y389 HydrophobicContact CH2-CG 4.21Å; W384-Y389 HydrophobicContact CZ3-CD1 4.15Å; W384-Y389 HydrophobicContact CZ3-CG 4.39Å
390F88.7Confident90Very high53 Ų5330.4 Ų30.423%0.23214%0.139CC..EExtended strand (participates in β ladder)trans-131.3138.3-179.6-62.3-94.7000108.9T122 Y382 Y383 I385 D388 A392T122-F390 HydrophobicContact CG2-CE1 3.87Å; T122-F390 HydrophobicContact CG2-CE2 3.96Å; T122-F390 HydrophobicContact CG2-CZ 3.53Å; T122-F390 WeakPolarHBondContact OG1-CE1 2.88Å; Y382-F390 CarbonylContact C-O 3.53Å; Y382-F390 WeakPolarHBondContact CA-O 3.48Å; Y383-F390 PolarHBondContact N-O 2.6Å; Y383-F390 PolarHBondContact O-N 3.01Å; I385-F390 HydrophobicContact CB-CD2 3.93Å; I385-F390 HydrophobicContact CB-CE2 3.76Å; I385-F390 HydrophobicContact CD1-CD2 3.73Å; I385-F390 HydrophobicContact CD1-CE2 4.09Å; I385-F390 HydrophobicContact CD1-CG 4.26Å; I385-F390 HydrophobicContact CG1-CD2 3.78Å; I385-F390 HydrophobicContact CG1-CE2 4.11Å; D388-F390 HydrophobicContact CB-CE2 3.92Å; D388-F390 HydrophobicContact CB-CZ 4.39Å; F390-A392 PolarHBondContact O-N 2.95Å
391E89.6Confident90.1Very high120 Ų12032 Ų3256%0.56114%0.143SC*.EExtended strand (participates in β ladder)trans-58.6131.6176-70.5176.4-178.600110.6Y382 H393Y382-E391 HydrophobicContact CD1-CG 4.17Å; Y382-E391 HydrophobicContact CE1-CG 3.74Å; E391-H393 PolarHBondContact O-N 2.92Å; E391-H393 PolarHBondContact O-ND1 3.38Å; E391-H393 IonicContact OE2-CE1 2.97Å
392A89.9Confident90Very high0 Ų033.3 Ų33.30%015%0.15CC..  trans-68.3118.7-176.800000110.3T378 E381 Y383 F390T378-A392 WeakPolarHBondContact CB-O 3.28Å; T378-A392 WeakPolarHBondContact CG2-O 3.32Å; E381-A392 HydrophobicContact CB-CB 3.61Å; E381-A392 WeakPolarHBondContact O-CB 3.39Å; E381-A392 PolarHBondContact O-N 2.96Å; Y383-A392 HydrophobicContact CD1-CB 4.38Å; Y383-A392 HydrophobicContact CD2-CB 4.44Å; Y383-A392 HydrophobicContact CE1-CB 4.12Å; Y383-A392 HydrophobicContact CE2-CB 4.17Å; F390-A392 PolarHBondContact O-N 2.95Å
393H92.2Very high89.8Confident75 Ų7533.6 Ų33.635%0.34715%0.154SC..  trans-129.4167.2171.5-68.881.7000108.5V104 Y383 E391 I395V104-H393 HydrophobicContact CG1-CB 3.88Å; Y383-H393 WeakPolarHBondContact CE2-O 3.31Å; Y383-H393 PolarHBondContact OH-O 3.38Å; E391-H393 PolarHBondContact O-N 2.92Å; E391-H393 PolarHBondContact O-ND1 3.38Å; E391-H393 IonicContact OE2-CE1 2.97Å; H393-I395 PolarHBondContact O-N 3.49Å
394P94.2Very high89.7Confident24 Ų2433.5 Ų33.516%0.15615%0.154CC..  trans-57.7129.4166.7-21.333.1000110.1V105 L373 F374V105-P394 PolarHBondContact N-O 2.8Å; V105-P394 WeakPolarHBondContact O-CB 3.48Å; L373-P394 WeakPolarHBondContact O-CA 3.44Å; F374-P394 HydrophobicContact CD1-CB 3.66Å; F374-P394 HydrophobicContact CD1-CG 4.21Å; F374-P394 HydrophobicContact CE1-CB 4Å; F374-P394 HydrophobicContact CG-CB 4.48Å
395I94.6Very high89.7Confident9 Ų934.3 Ų34.35%0.04616%0.159CC..EExtended strand (participates in β ladder)trans-128.6144.2-17857.6169.7000111.5K103 I128 R372 L373 Y383 H393 V397K103-I395 CarbonylContact O-C 3.52Å; K103-I395 WeakPolarHBondContact O-CA 3.45Å; I128-I395 HydrophobicContact CD1-CD1 4.49Å; R372-I395 CarbonylContact C-O 3.59Å; R372-I395 VanDerWaalsContact CA-O 3.24Å; R372-I395 WeakPolarHBondContact CA-O 3.45Å; L373-I395 HydrophobicContact CB-CG1 4Å; L373-I395 HydrophobicContact CD2-CD1 4.3Å; L373-I395 HydrophobicContact CD2-CG1 4.38Å; L373-I395 PolarHBondContact N-O 3.19Å; L373-I395 PolarHBondContact O-N 3.47Å; Y383-I395 HydrophobicContact CD2-CD1 4.08Å; Y383-I395 HydrophobicContact CD2-CG2 4.35Å; Y383-I395 HydrophobicContact CE2-CB 4.49Å; Y383-I395 HydrophobicContact CE2-CD1 3.74Å; Y383-I395 HydrophobicContact CE2-CG1 3.94Å; Y383-I395 HydrophobicContact CE2-CG2 3.78Å; H393-I395 PolarHBondContact O-N 3.49Å; I395-V397 HydrophobicContact CD1-CG2 3.86Å; I395-V397 HydrophobicContact CG1-CG2 4.29Å
396E95.2Very high89.7Confident35 Ų3534.3 Ų34.316%0.16416%0.158CC..EExtended strand (participates in β ladder)trans-102.5124.3163.3-179.8175.9142.200108.7K103 V105 L371 R372 N398K103-E396 PolarHBondContact N-O 2.66Å; K103-E396 PolarHBondContact O-N 3.48Å; V105-E396 HydrophobicContact CG2-CB 3.51Å; L371-E396 CarbonylContact O-C 3.58Å; L371-E396 WeakPolarHBondContact O-CA 3.33Å; R372-E396 HydrophobicContact CG-CB 3.99Å; R372-E396 HydrophobicContact CG-CG 3.94Å; R372-E396 IonicContact CZ-OE2 2.74Å; R372-E396 VanDerWaalsContact CZ-OE2 3.28Å; R372-E396 IonicContact NE-OE2 2.64Å; R372-E396 PolarHBondContact NE-OE2 2.94Å; R372-E396 IonicContact NH2-OE2 2.64Å; R372-E396 PolarHBondContact NH2-OE2 3.33Å; E396-N398 PolarHBondContact OE1-ND2 2.94Å
397V95.6Very high89.8Confident0 Ų035.7 Ų35.70%016%0.164CC..EExtended strand (participates in β ladder)trans-106.6123177.7-173.10000108.9L100 E101 I128 I323 I330 L371 I395L100-V397 HydrophobicContact CB-CG1 4.12Å; L100-V397 HydrophobicContact CD1-CG1 4.48Å; L100-V397 HydrophobicContact CD2-CG1 4.01Å; L100-V397 HydrophobicContact CG-CG1 4.44Å; E101-V397 WeakPolarHBondContact O-CA 3.46Å; I128-V397 HydrophobicContact CD1-CG1 4.34Å; I128-V397 HydrophobicContact CD1-CG2 3.98Å; I323-V397 HydrophobicContact CD1-CG2 4.1Å; I323-V397 HydrophobicContact CG2-CG1 4.14Å; I330-V397 HydrophobicContact CD1-CG1 4.3Å; I330-V397 VanDerWaalsContact CD1-O 3.29Å; I330-V397 WeakPolarHBondContact CD1-O 3.32Å; L371-V397 HydrophobicContact CB-CB 4.45Å; L371-V397 PolarHBondContact N-O 3.03Å; L371-V397 PolarHBondContact O-N 2.99Å; I395-V397 HydrophobicContact CD1-CG2 3.86Å; I395-V397 HydrophobicContact CG1-CG2 4.29Å
398N93.5Very high89.6Confident26 Ų2637.6 Ų37.614%0.13917%0.174CC..EExtended strand (participates in β ladder)trans-121.3145.6177.6-73.4-62.6000110.3L100 E101 E396L100-N398 CarbonylContact C-O 3.55Å; E101-N398 PolarHBondContact N-O 2.97Å; E101-N398 PolarHBondContact O-N 2.75Å; E396-N398 PolarHBondContact OE1-ND2 2.94Å
399L93Very high89.9Confident22 Ų2238.1 Ų38.112%0.11518%0.175CC..EExtended strand (participates in β ladder)trans-90.4119.1173.8-170.874000110.6N98 L100 P325 D328 I330 R401N98-L399 HydrophobicContact CB-CD1 3.93Å; N98-L399 HydrophobicContact CB-CD2 4.47Å; N98-L399 HydrophobicContact CB-CG 4.28Å; L100-L399 HydrophobicContact CD2-CD1 3.73Å; P325-L399 HydrophobicContact CB-CD1 3.69Å; D328-L399 VanDerWaalsContact O-CD2 3.25Å; D328-L399 WeakPolarHBondContact O-CD2 3.39Å; I330-L399 HydrophobicContact CD1-CB 4.45Å; I330-L399 HydrophobicContact CG1-CB 3.97Å; L399-R401 HydrophobicContact CD2-CG 4.13Å; L399-R401 HydrophobicContact CG-CG 4.43Å
400R89.9Confident90Very high109 Ų10935.7 Ų35.741%0.41117%0.167SC..EExtended strand (participates in β ladder)trans-91.9103.4170-66.1-67.8-169.8139.714.3109.2N98 V99 E101 Y123 A403N98-R400 VanDerWaalsContact CA-O 3.31Å; N98-R400 WeakPolarHBondContact CA-O 3.23Å; V99-R400 PolarHBondContact N-O 3.4Å; V99-R400 PolarHBondContact O-N 3.47Å; E101-R400 HydrophobicContact CB-CG 4.01Å; E101-R400 IonicContact OE1-CZ 3.94Å; E101-R400 IonicContact OE1-NE 2.82Å; E101-R400 IonicContact OE1-NH2 3.52Å; E101-R400 PolarHBondContact OE1-NH2 3.41Å; E101-R400 IonicContact OE2-CZ 2.66Å; E101-R400 VanDerWaalsContact OE2-CZ 3.28Å; E101-R400 IonicContact OE2-NE 3.56Å; E101-R400 PolarHBondContact OE2-NE 3.32Å; E101-R400 IonicContact OE2-NH2 2.93Å; E101-R400 PolarHBondContact OE2-NH2 2.88Å; Y123-R400 HydrophobicContact CE1-CG 4.43Å; R400-A403 HydrophobicContact CB-CB 3.68Å
401R87.4Confident90.1Very high60 Ų6034.8 Ų34.823%0.22616%0.163CC..EExtended strand (participates in β ladder)trans-73.7134.2-177.6-61.5-177.5-174.9111.12.5111.2N98 D328 D369 L399 A403N98-R401 VanDerWaalsContact OD1-CA 3.22Å; N98-R401 WeakPolarHBondContact OD1-CA 3.31Å; D328-R401 PolarHBondContact O-NE 3.11Å; D328-R401 PolarHBondContact O-NH2 3.12Å; D369-R401 IonicContact OD1-NH2 3.78Å; L399-R401 HydrophobicContact CD2-CG 4.13Å; L399-R401 HydrophobicContact CG-CG 4.43Å; R401-A403 PolarHBondContact O-N 2.74Å; R401-A403 VanDerWaalsContact O-N 3.08Å
402N85.5Confident90.1Very high34 Ų3429.8 Ų29.818%0.18214%0.14CC..EExtended strand (participates in β ladder)trans47.237.8178.2-65.5-46.1000113.8R96 R97 N98 Y251R96-N402 HydrophobicContact CB-CB 3.91Å; R97-N402 CarbonylContact O-C 3.48Å; R97-N402 WeakPolarHBondContact O-CA 3.45Å; N98-N402 PolarHBondContact OD1-N 2.89Å; Y251-N402 WeakPolarHBondContact CD1-ND2 3.4Å; Y251-N402 WeakPolarHBondContact CE1-ND2 3.5Å
403A86.8Confident90.2Very high15 Ų1531.6 Ų31.612%0.12415%0.149CC..EExtended strand (participates in β ladder)trans-77.1-30.2-169.300000112.9L42 R97 R400 R401L42-A403 HydrophobicContact CD2-CB 4.33Å; R97-A403 PolarHBondContact O-N 3.39Å; R97-A403 VanDerWaalsContact O-N 3.08Å; R400-A403 HydrophobicContact CB-CB 3.68Å; R401-A403 PolarHBondContact O-N 2.74Å; R401-A403 VanDerWaalsContact O-N 3.08Å
404V88.8Confident90Very high2 Ų228.7 Ų28.71%0.01214%0.136CC..EExtended strand (participates in β ladder)trans-126.9133.3-175.3-175.80000109.2V38 L42 I57 R96 R97 V99 F406V38-V404 HydrophobicContact CG1-CG2 3.68Å; V38-V404 HydrophobicContact CG2-CG1 4.3Å; L42-V404 HydrophobicContact CD1-CG2 3.85Å; L42-V404 HydrophobicContact CD2-CG2 4.03Å; L42-V404 HydrophobicContact CG-CG2 4.14Å; I57-V404 HydrophobicContact CD1-CG1 3.99Å; I57-V404 HydrophobicContact CG1-CG1 4.44Å; R96-V404 VanDerWaalsContact CA-O 3.31Å; R96-V404 WeakPolarHBondContact CA-O 3.4Å; R97-V404 PolarHBondContact N-O 2.94Å; V99-V404 HydrophobicContact CG2-CB 4.29Å; V99-V404 HydrophobicContact CG2-CG2 3.73Å; V404-F406 HydrophobicContact CB-CD2 4.26Å; V404-F406 HydrophobicContact CB-CE2 3.78Å; V404-F406 HydrophobicContact CB-CZ 4.47Å; V404-F406 HydrophobicContact CG1-CD2 3.83Å; V404-F406 HydrophobicContact CG1-CE1 4.44Å; V404-F406 HydrophobicContact CG1-CE2 3.42Å; V404-F406 VanDerWaalsContact CG1-CE2 3.42Å; V404-F406 HydrophobicContact CG1-CG 4.5Å; V404-F406 HydrophobicContact CG1-CZ 3.76Å
405N89.6Confident89.7Confident18 Ų1829.1 Ų29.110%0.09613%0.134CC..EExtended strand (participates in β ladder)trans-91.5127.6170.8-160.524.2000109.3P56 I57 T94 K95 R96P56-N405 CarbonylContact C-O 3.48Å; P56-N405 WeakPolarHBondContact CA-O 3.25Å; I57-N405 PolarHBondContact N-O 2.78Å; T94-N405 WeakPolarHBondContact CB-ND2 3.34Å; T94-N405 WeakPolarHBondContact CB-OD1 3.5Å; T94-N405 PolarHBondContact OG1-ND2 2.95Å; T94-N405 VanDerWaalsContact OG1-ND2 3.12Å; T94-N405 PolarHBondContact OG1-OD1 2.93Å; K95-N405 PolarHBondContact N-OD1 2.84Å; R96-N405 HydrophobicContact CG-CB 4.14Å
406F90.8Very high89.3Confident4 Ų430.6 Ų30.62%0.01814%0.141CC..EExtended strand (participates in β ladder)trans-116.1145.8177.4-78.3-84.6000110.7I34 V38 I57 L68 M72 T94 K95 R97 L125 V404 M408I34-F406 HydrophobicContact CG2-CE1 4.08Å; V38-F406 HydrophobicContact CG2-CE1 4.42Å; V38-F406 HydrophobicContact CG2-CZ 3.93Å; I57-F406 HydrophobicContact CB-CD1 4.19Å; I57-F406 HydrophobicContact CB-CE1 4.17Å; I57-F406 HydrophobicContact CG2-CD1 4.46Å; I57-F406 HydrophobicContact CG2-CE1 4.18Å; I57-F406 CarbonylContact O-C 3.43Å; I57-F406 WeakPolarHBondContact O-CA 3.35Å; I57-F406 WeakPolarHBondContact O-CD1 3.4Å; L68-F406 HydrophobicContact CD2-CE1 4.28Å; L68-F406 HydrophobicContact CD2-CZ 4.47Å; M72-F406 HydrophobicContact CE-CD1 4.32Å; M72-F406 HydrophobicContact CE-CD2 4.38Å; M72-F406 HydrophobicContact CE-CE1 4.45Å; M72-F406 HydrophobicContact CE-CE2 4.48Å; M72-F406 HydrophobicContact CE-CG 4.3Å; T94-F406 CarbonylContact C-O 3.52Å; T94-F406 WeakPolarHBondContact CA-O 3.33Å; K95-F406 PolarHBondContact N-O 3.28Å; K95-F406 PolarHBondContact O-N 2.83Å; R97-F406 HydrophobicContact CB-CD2 4.28Å; R97-F406 HydrophobicContact CB-CE2 4.5Å; L125-F406 HydrophobicContact CD1-CZ 4.24Å; L125-F406 HydrophobicContact CD2-CE2 4.14Å; L125-F406 HydrophobicContact CD2-CZ 3.79Å; V404-F406 HydrophobicContact CB-CD2 4.26Å; V404-F406 HydrophobicContact CB-CE2 3.78Å; V404-F406 HydrophobicContact CB-CZ 4.47Å; V404-F406 HydrophobicContact CG1-CD2 3.83Å; V404-F406 HydrophobicContact CG1-CE1 4.44Å; V404-F406 HydrophobicContact CG1-CE2 3.42Å; V404-F406 VanDerWaalsContact CG1-CE2 3.42Å; V404-F406 HydrophobicContact CG1-CG 4.5Å; V404-F406 HydrophobicContact CG1-CZ 3.76Å; F406-M408 HydrophobicContact CB-CE 3.67Å; F406-M408 HydrophobicContact CB-CG 4.16Å; F406-M408 HydrophobicContact CB-SD 4.49Å; F406-M408 HydrophobicContact CG-CE 4.17Å; F406-M408 PolarHBondContact O-N 2.71Å
407F88Confident88.9Confident30 Ų3030.3 Ų30.313%0.13214%0.139CC..EExtended strand (participates in β ladder)trans-67.5118.2165.9-70.4-72.2000109.6P56 I57 V89 N92 N93 T94P56-F407 HydrophobicContact CB-CD1 4.13Å; P56-F407 HydrophobicContact CB-CD2 3.92Å; P56-F407 HydrophobicContact CB-CE1 3.86Å; P56-F407 HydrophobicContact CB-CE2 3.64Å; P56-F407 HydrophobicContact CB-CG 4.17Å; P56-F407 HydrophobicContact CB-CZ 3.63Å; P56-F407 HydrophobicContact CG-CD1 4.42Å; P56-F407 HydrophobicContact CG-CD2 4.35Å; P56-F407 HydrophobicContact CG-CE1 3.65Å; P56-F407 HydrophobicContact CG-CE2 3.59Å; P56-F407 HydrophobicContact CG-CZ 3.19Å; I57-F407 PolarHBondContact O-N 3.15Å; V89-F407 HydrophobicContact CB-CB 4.41Å; V89-F407 HydrophobicContact CB-CG 4.33Å; V89-F407 HydrophobicContact CG1-CD2 4.36Å; V89-F407 HydrophobicContact CG1-CE2 4.45Å; V89-F407 HydrophobicContact CG1-CG 4.4Å; V89-F407 HydrophobicContact CG2-CB 3.7Å; V89-F407 HydrophobicContact CG2-CD2 4.18Å; V89-F407 HydrophobicContact CG2-CG 3.96Å; N92-F407 WeakPolarHBondContact OD1-CE1 3.46Å; N93-F407 CarbonylContact O-C 3.56Å; N93-F407 VanDerWaalsContact O-CA 3.3Å; N93-F407 WeakPolarHBondContact O-CA 3.44Å; T94-F407 HydrophobicContact CG2-CD1 3.67Å; T94-F407 HydrophobicContact CG2-CE1 3.97Å; T94-F407 HydrophobicContact CG2-CG 4.43Å
408M77.4Confident88.2Confident43 Ų4333 Ų3321%0.21215%0.152CC..  trans-152.60-174.8-73.1-167-179.200112.8M72 S88 N93 K95 F406M72-M408 HydrophobicContact CB-CE 3.81Å; M72-M408 HydrophobicContact CB-SD 4.44Å; M72-M408 HydrophobicContact CE-CE 3.22Å; M72-M408 HydrophobicContact CG-CE 3.21Å; M72-M408 HydrophobicContact CG-SD 4.28Å; M72-M408 HydrophobicContact SD-CE 3.12Å; M72-M408 WeakPolarHBondContact SD-CE 3.37Å; S88-M408 VanDerWaalsContact CB-CA 3.49Å; S88-M408 VanDerWaalsContact CB-OXT 3.24Å; S88-M408 WeakPolarHBondContact CB-OXT 3.38Å; S88-M408 PolarHBondContact OG-OXT 3.22Å; N93-M408 CarbonylContact C-O 3.58Å; N93-M408 VanDerWaalsContact C-O 3.27Å; N93-M408 WeakPolarHBondContact CB-O 3.34Å; N93-M408 PolarHBondContact ND2-O 2.76Å; N93-M408 PolarHBondContact O-N 3.49Å; N93-M408 PolarHBondContact OD1-O 3.42Å; K95-M408 HydrophobicContact CB-CB 3.94Å; K95-M408 HydrophobicContact CB-CG 4.36Å; K95-M408 HydrophobicContact CB-SD 4Å; K95-M408 HydrophobicContact CD-SD 4.29Å; F406-M408 HydrophobicContact CB-CE 3.67Å; F406-M408 HydrophobicContact CB-CG 4.16Å; F406-M408 HydrophobicContact CB-SD 4.49Å; F406-M408 HydrophobicContact CG-CE 4.17Å; F406-M408 PolarHBondContact O-N 2.71Å

Retrieved 408 of 408 residues in 559.2 ms (Link to these results)

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