A0A3Q0KPF9_SCHMA Loading...

tRNA (34-2'-O)-methyltransferase regulator WDR6 AlphaSync

AlphaFold DB , UniProt , Accession A0A3Q0KPF9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,338 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
1M42Very low72.3Confident120 Ų12064.5 Ų64.559%0.59133%0.329SS*.  0126.10-74.5-166.7-17400108.4C3 E1254 K1320M1-C3 PolarHBondContact O-N 2.83Å; M1-E1254 VanDerWaalsContact CE-OE2 3.26Å; M1-E1254 WeakPolarHBondContact CE-OE2 3.49Å; M1-K1320 HydrophobicContact SD-CD 4.33Å
2T49.4Very low73.8Confident106 Ų10659.6 Ų59.665%0.6530%0.303SS*.  trans-80.5118.3173.547.30000108.6K4T2-K4 PolarHBondContact O-N 3.09Å
3C52.3Low75Confident13 Ų1355.2 Ų55.29%0.08828%0.281CS..  trans-47.7127165.1170.40000107.3M1 L1274 K1291 F1338M1-C3 PolarHBondContact O-N 2.83Å; C3-L1274 HydrophobicContact CB-CD2 3.93Å; C3-L1274 WeakPolarHBondContact SG-CD2 2.93Å; C3-K1291 VanDerWaalsContact O-CE 3.27Å; C3-K1291 WeakPolarHBondContact O-CE 3.43Å; C3-K1291 PolarHBondContact O-NZ 2.88Å; C3-K1291 PolarHBondContact SG-NZ 2.83Å; C3-F1338 CarbonylContact C-O 3.51Å; C3-F1338 VanDerWaalsContact C-O 3.29Å; C3-F1338 WeakPolarHBondContact CA-O 3.34Å; C3-F1338 WeakPolarHBondContact CB-O 3.34Å; C3-F1338 PolarHBondContact SG-O 3.2Å
4K60Low76.3Confident161 Ų16152.2 Ų52.270%0.727%0.267SS*.  trans-97.4-35.3-169.2-77-168.7179.4-1770114.8T2 K1291 F1338T2-K4 PolarHBondContact O-N 3.09Å; K4-K1291 VanDerWaalsContact CA-NZ 3.33Å; K4-K1291 VanDerWaalsContact N-NZ 3.15Å; K4-K1291 WeakPolarHBondContact O-CE 3.42Å; K4-K1291 PolarHBondContact O-NZ 2.83Å; K4-F1338 PolarHBondContact N-O 2.87Å
5S73.9Confident77.4Confident45 Ų4549 Ų4932%0.31525%0.251SS..  trans-152.8159.5173.346.50000113.2K1291 F1338S5-K1291 VanDerWaalsContact CA-NZ 3.26Å; S5-F1338 PolarHBondContact O-N 2.71Å; S5-F1338 VanDerWaalsContact OG-CD2 3.31Å; S5-F1338 WeakPolarHBondContact OG-CD2 3.38Å
6L84.5Confident78.5Confident17 Ų1747.9 Ų47.99%0.08925%0.247CC..EExtended strand (participates in β ladder)trans-106.9123.4157-69.8170.5000105.1L1274 K1291 F1293 I1335 V1337L6-L1274 HydrophobicContact CD1-CB 4.45Å; L6-K1291 HydrophobicContact CD1-CB 4.1Å; L6-K1291 HydrophobicContact CG-CD 4.46Å; L6-F1293 HydrophobicContact CB-CB 4.27Å; L6-F1293 HydrophobicContact CB-CD2 3.72Å; L6-F1293 HydrophobicContact CB-CE2 4.43Å; L6-F1293 HydrophobicContact CB-CG 4.19Å; L6-F1293 HydrophobicContact CD1-CB 3.68Å; L6-F1293 HydrophobicContact CD1-CG 4.45Å; L6-F1293 WeakPolarHBondContact O-CE2 3.46Å; L6-I1335 HydrophobicContact CB-CG2 4.11Å; L6-I1335 HydrophobicContact CD2-CG2 4.19Å; L6-V1337 HydrophobicContact CD2-CB 4.16Å; L6-V1337 HydrophobicContact CD2-CG1 4Å; L6-V1337 HydrophobicContact CD2-CG2 3.72Å
7E85Confident79.4Confident81 Ų8145.1 Ų45.138%0.37923%0.233SC..EExtended strand (participates in β ladder)trans-130.5127.8-173.8-164.4-165.6148.300110.6K9 I1335 Q1336 F1338E7-K9 PolarHBondContact O-N 3.48Å; E7-K9 IonicContact OE1-NZ 2.71Å; E7-K9 PolarHBondContact OE1-NZ 3.28Å; E7-K9 IonicContact OE2-NZ 3.58Å; E7-K9 PolarHBondContact OE2-NZ 3.39Å; E7-I1335 CarbonylContact O-C 3.56Å; E7-I1335 WeakPolarHBondContact O-CA 3.14Å; E7-Q1336 PolarHBondContact N-O 2.91Å; E7-Q1336 VanDerWaalsContact N-O 3.12Å; E7-Q1336 PolarHBondContact O-N 3.15Å; E7-F1338 HydrophobicContact CB-CD2 4.45Å; E7-F1338 HydrophobicContact CB-CE2 3.9Å; E7-F1338 VanDerWaalsContact OE2-CE2 3.23Å; E7-F1338 WeakPolarHBondContact OE2-CE2 3.47Å
8T86.6Confident80.3Confident43 Ų4342.8 Ų42.826%0.26422%0.221SC..EExtended strand (participates in β ladder)trans-69.2117.1172.3-58.40000109.5W10 Q11 F1293T8-W10 WeakPolarHBondContact CG2-O 3.44Å; T8-Q11 HydrophobicContact CG2-CB 4.09Å; T8-F1293 WeakPolarHBondContact OG1-CZ 3.33Å
9K86.6Confident81.1Confident66 Ų6641.4 Ų41.429%0.28722%0.215SC..EExtended strand (participates in β ladder)trans-92.1-27.7173.2-67.7-55.3-175-168.30112.6E7 L889 L1334 Q1336E7-K9 PolarHBondContact O-N 3.48Å; E7-K9 IonicContact OE1-NZ 2.71Å; E7-K9 PolarHBondContact OE1-NZ 3.28Å; E7-K9 IonicContact OE2-NZ 3.58Å; E7-K9 PolarHBondContact OE2-NZ 3.39Å; K9-L889 HydrophobicContact CB-CD2 4.39Å; K9-L1334 HydrophobicContact CB-CD2 4.47Å; K9-L1334 PolarHBondContact N-O 3.24Å; K9-Q1336 HydrophobicContact CG-CB 3.78Å
10W87.4Confident81.6Confident19 Ų1940.1 Ų40.17%0.07221%0.208CC..EExtended strand (participates in β ladder)trans-152.3146.6177.4174.980.7000110.5T8 H12 W885 I887 P901 I902 L1326 A1332 Q1333 L1334T8-W10 WeakPolarHBondContact CG2-O 3.44Å; W10-H12 HydrophobicContact CH2-CB 3.43Å; W10-H12 VanDerWaalsContact CH2-CB 3.43Å; W10-H12 HydrophobicContact CZ2-CB 3.47Å; W10-H12 VanDerWaalsContact CZ2-CB 3.47Å; W10-H12 AromaticContact CZ2-CD2 3.76Å; W10-H12 HydrophobicContact CZ3-CB 4.13Å; W10-W885 HydrophobicContact CH2-CZ2 4.28Å; W10-W885 AromaticContact CH2-NE1 3.78Å; W10-W885 HydrophobicContact CZ3-CZ2 4.43Å; W10-I887 HydrophobicContact CD2-CD1 3.99Å; W10-I887 HydrophobicContact CE3-CD1 3.82Å; W10-I887 HydrophobicContact CG-CD1 4.4Å; W10-I887 HydrophobicContact CZ3-CD1 4.21Å; W10-P901 HydrophobicContact CB-CG 3.92Å; W10-P901 HydrophobicContact CG-CG 4.03Å; W10-I902 HydrophobicContact CZ2-CD1 3.72Å; W10-I902 HydrophobicContact CZ2-CG1 4.3Å; W10-I902 VanDerWaalsContact NE1-CD1 3.34Å; W10-L1326 HydrophobicContact CZ3-CD1 4.38Å; W10-A1332 HydrophobicContact CH2-CB 4.05Å; W10-A1332 HydrophobicContact CZ3-CB 3.67Å; W10-Q1333 CarbonylContact O-C 3.6Å; W10-Q1333 WeakPolarHBondContact O-CA 3.32Å; W10-L1334 HydrophobicContact CB-CB 3.97Å; W10-L1334 HydrophobicContact CE3-CB 4.15Å; W10-L1334 PolarHBondContact N-O 3.25Å; W10-L1334 PolarHBondContact O-N 2.92Å
11Q87.8Confident82Confident39 Ų3939.1 Ų39.118%0.18220%0.203CC..EExtended strand (participates in β ladder)trans-144.8144.5174.264.8176.717.700110.8T8 A1332 Q1333T8-Q11 HydrophobicContact CG2-CB 4.09Å; Q11-A1332 CarbonylContact C-O 3.54Å; Q11-A1332 WeakPolarHBondContact CA-O 3.45Å; Q11-Q1333 HydrophobicContact CB-CG 3.8Å
12H89.8Confident84.1Confident5 Ų535 Ų352%0.02319%0.186CC..EExtended strand (participates in β ladder)trans-136.3103.8175.5-168.3-22000107.1W10 D353 G354 S835 L837 G1331 A1332W10-H12 HydrophobicContact CH2-CB 3.43Å; W10-H12 VanDerWaalsContact CH2-CB 3.43Å; W10-H12 HydrophobicContact CZ2-CB 3.47Å; W10-H12 VanDerWaalsContact CZ2-CB 3.47Å; W10-H12 AromaticContact CZ2-CD2 3.76Å; W10-H12 HydrophobicContact CZ3-CB 4.13Å; H12-D353 PolarHBondContact CE1-O 3.33Å; H12-G354 VanDerWaalsContact CE1-CA 3.42Å; H12-G354 WeakPolarHBondContact CE1-CA 3.42Å; H12-S835 PolarHBondContact CE1-O 3.08Å; H12-S835 PolarHBondContact NE2-O 3.15Å; H12-L837 WeakPolarHBondContact NE2-CB 3.48Å; H12-G1331 CarbonylContact O-C 3.52Å; H12-G1331 VanDerWaalsContact O-CA 3.23Å; H12-G1331 WeakPolarHBondContact O-CA 3.3Å; H12-A1332 PolarHBondContact N-O 3.09Å; H12-A1332 PolarHBondContact O-N 3.1Å
13C90.2Very high85.8Confident2 Ų233.4 Ų33.41%0.01417%0.17CC..  trans-127166.5-175.7-62.30000109.3I15 A31 G354C13-I15 PolarHBondContact O-N 3.18Å; C13-A31 HydrophobicContact CB-CB 4.28Å; C13-G354 VanDerWaalsContact O-CA 3.23Å; C13-G354 WeakPolarHBondContact O-CA 3.28Å
14P92.2Very high87.5Confident14 Ų1434.5 Ų34.59%0.09118%0.178CC..  trans-51.4134.1172-30.638.1000112.5N352 G1297 A1330P14-N352 WeakPolarHBondContact CG-OD1 3.33Å; P14-G1297 WeakPolarHBondContact CD-O 3.26Å; P14-A1330 HydrophobicContact CG-CB 4.41Å
15I94.1Very high89Confident4 Ų427.7 Ų27.72%0.02115%0.149CC..EExtended strand (participates in β ladder)trans-86.8111.3173.1-52.7-53.9000108.3C13 L18 V28 W330 G351 G354 I356C13-I15 PolarHBondContact O-N 3.18Å; I15-L18 HydrophobicContact CG2-CD2 3.94Å; I15-L18 HydrophobicContact CG2-CG 4.03Å; I15-V28 HydrophobicContact CD1-CG1 3.97Å; I15-V28 HydrophobicContact CG2-CG1 3.87Å; I15-W330 WeakPolarHBondContact O-CB 3.49Å; I15-G351 PolarHBondContact N-O 2.88Å; I15-G354 WeakPolarHBondContact CG1-O 3.29Å; I15-I356 HydrophobicContact CD1-CD1 4.29Å; I15-I356 HydrophobicContact CD1-CG1 4.21Å; I15-I356 HydrophobicContact CG1-CD1 4.43Å; I15-I356 HydrophobicContact CG1-CG1 3.82Å; I15-I356 HydrophobicContact CG2-CG1 4.45Å
16T93.7Very high89.9Confident31 Ų3125.6 Ų25.619%0.1913%0.134CC..EExtended strand (participates in β ladder)trans-102.1-23-172.947.20000112.9G29 I56T16-G29 PolarHBondContact N-O 3.5Å; T16-G29 VanDerWaalsContact N-O 3.15Å; T16-G29 PolarHBondContact OG1-O 3.17Å; T16-I56 VanDerWaalsContact CB-O 3.29Å; T16-I56 WeakPolarHBondContact CB-O 3.47Å; T16-I56 PolarHBondContact OG1-O 3Å
17A94.9Very high90.4Very high0 Ų024.8 Ų24.80%013%0.13CC..EExtended strand (participates in β ladder)trans-140.3139.4-178.900000112.2G29 I56 I59A17-G29 PolarHBondContact N-O 3.21Å; A17-G29 PolarHBondContact O-N 3.28Å; A17-I56 HydrophobicContact CB-CG2 3.86Å; A17-I59 HydrophobicContact CB-CD1 3.7Å; A17-I59 HydrophobicContact CB-CG1 3.83Å
18L95.6Very high90.9Very high4 Ų421 Ų212%0.02111%0.113CC..EExtended strand (participates in β ladder)trans-138.6135.7174.7-71.9177.3000109.8I15 L26 V27 V28 A348 G350 I356I15-L18 HydrophobicContact CG2-CD2 3.94Å; I15-L18 HydrophobicContact CG2-CG 4.03Å; L18-L26 HydrophobicContact CD2-CD1 4.46Å; L18-L26 HydrophobicContact CD2-CD2 4.06Å; L18-L26 HydrophobicContact CD2-CG 4.28Å; L18-V27 WeakPolarHBondContact CA-O 3.4Å; L18-V28 HydrophobicContact CD2-CB 4.13Å; L18-V28 HydrophobicContact CD2-CG1 4.06Å; L18-V28 HydrophobicContact CD2-CG2 3.66Å; L18-A348 HydrophobicContact CD1-CB 4.27Å; L18-G350 VanDerWaalsContact CD1-N 3.31Å; L18-I356 HydrophobicContact CD2-CG2 4.42Å
19S94.7Very high91.2Very high16 Ų1619 Ų1911%0.11210%0.1CC..EExtended strand (participates in β ladder)trans-143.3129.9168.6-168.40000111.4V27 T61S19-V27 PolarHBondContact N-O 3.44Å; S19-V27 PolarHBondContact O-N 3.49Å; S19-T61 WeakPolarHBondContact OG-CG2 3.45Å; S19-T61 PolarHBondContact OG-OG1 3.47Å; S19-T61 VanDerWaalsContact OG-OG1 3.08Å
20H91.6Very high91.5Very high15 Ų1516.5 Ų16.57%0.0699%0.091CC..EExtended strand (participates in β ladder)trans-75.7128170.7-72.297.1000110.2S333 W335 A348H20-S333 PolarHBondContact CE1-O 3.37Å; H20-S333 VanDerWaalsContact CE1-O 3.29Å; H20-S333 PolarHBondContact N-OG 3.18Å; H20-S333 WeakPolarHBondContact ND1-CB 3.41Å; H20-S333 PolarHBondContact ND1-OG 3.05Å; H20-W335 HydrophobicContact CB-CB 4.02Å; H20-W335 HydrophobicContact CB-CG 4.38Å; H20-A348 VanDerWaalsContact CE1-CB 3.42Å; H20-A348 WeakPolarHBondContact CE1-CB 3.48Å
21I89.4Confident91.7Very high21 Ų2115.7 Ų15.711%0.1089%0.089CC..SBendtrans-84.8-41.8164.9-72.3166.6000109.3L25 V27 I36 T61 H70 L72 F85I21-L25 HydrophobicContact CB-CB 3.97Å; I21-L25 HydrophobicContact CG2-CB 4.31Å; I21-L25 HydrophobicContact CG2-CD1 4.27Å; I21-L25 PolarHBondContact N-O 3.24Å; I21-V27 HydrophobicContact CD1-CG2 3.24Å; I21-V27 HydrophobicContact CG1-CG2 3.59Å; I21-I36 HydrophobicContact CD1-CD1 4.42Å; I21-T61 HydrophobicContact CG1-CG2 4.36Å; I21-H70 WeakPolarHBondContact CG2-NE2 3.46Å; I21-L72 HydrophobicContact CD1-CD2 4.15Å; I21-L72 HydrophobicContact CG1-CD2 4.43Å; I21-F85 HydrophobicContact CD1-CD1 3.98Å; I21-F85 HydrophobicContact CD1-CE1 4.32Å
22S86.2Confident91.8Very high33 Ų3314.2 Ų14.223%0.2318%0.082CC..SBendtrans-154-179.9179.8750000110S24 L25S22-S24 PolarHBondContact O-N 3.47Å; S22-S24 VanDerWaalsContact O-N 3.16Å; S22-S24 PolarHBondContact OG-N 2.96Å; S22-S24 PolarHBondContact OG-OG 3.22Å; S22-L25 PolarHBondContact N-O 2.88Å; S22-L25 PolarHBondContact O-N 2.7Å; S22-L25 VanDerWaalsContact O-O 3.13Å; S22-L25 PolarHBondContact OG-N 3.25Å
23K85.4Confident91.9Very high72 Ų7214.9 Ų14.931%0.3139%0.086SC..SBendtrans-52.5-34.2172.1-160.1173.6-163.5157.20113.4W335 E337 L346K23-W335 HydrophobicContact CB-CD2 4.31Å; K23-W335 HydrophobicContact CB-CE3 4.1Å; K23-W335 HydrophobicContact CB-CH2 3.4Å; K23-W335 VanDerWaalsContact CB-CH2 3.4Å; K23-W335 HydrophobicContact CB-CZ2 3.72Å; K23-W335 HydrophobicContact CB-CZ3 3.65Å; K23-W335 HydrophobicContact CD-CH2 3.64Å; K23-W335 HydrophobicContact CD-CZ3 3.58Å; K23-W335 HydrophobicContact CG-CE3 3.95Å; K23-W335 HydrophobicContact CG-CH2 3.64Å; K23-W335 HydrophobicContact CG-CZ2 4.42Å; K23-W335 HydrophobicContact CG-CZ3 3.41Å; K23-W335 VanDerWaalsContact CG-CZ3 3.41Å; K23-E337 IonicContact NZ-OE1 2.86Å; K23-E337 PolarHBondContact NZ-OE1 3.02Å; K23-L346 HydrophobicContact CG-CD2 4.49Å
24S87.5Confident92Very high37 Ų3714.8 Ų14.826%0.2599%0.085SC..SBendtrans-103-14.3-171.958.80000113.6S22 N38 V39S22-S24 PolarHBondContact O-N 3.47Å; S22-S24 VanDerWaalsContact O-N 3.16Å; S22-S24 PolarHBondContact OG-N 2.96Å; S22-S24 PolarHBondContact OG-OG 3.22Å; S24-N38 CarbonylContact O-C 3.51Å; S24-N38 WeakPolarHBondContact O-CA 3.3Å; S24-V39 PolarHBondContact O-N 3.48Å
25L91.5Very high92.1Very high18 Ų1814.3 Ų14.39%0.0948%0.082CC..EExtended strand (participates in β ladder)trans-122123.4-173.3-63.7178.7000111.7I21 S22 Y37 L45 F85 L87I21-L25 HydrophobicContact CB-CB 3.97Å; I21-L25 HydrophobicContact CG2-CB 4.31Å; I21-L25 HydrophobicContact CG2-CD1 4.27Å; I21-L25 PolarHBondContact N-O 3.24Å; S22-L25 PolarHBondContact N-O 2.88Å; S22-L25 PolarHBondContact O-N 2.7Å; S22-L25 VanDerWaalsContact O-O 3.13Å; S22-L25 PolarHBondContact OG-N 3.25Å; L25-Y37 WeakPolarHBondContact CA-O 3.37Å; L25-L45 HydrophobicContact CD2-CD1 3.33Å; L25-F85 HydrophobicContact CD1-CE1 4.17Å; L25-L87 HydrophobicContact CD1-CD2 3.85Å
26L93.3Very high92Very high0 Ų014.1 Ų14.10%08%0.081CC..EExtended strand (participates in β ladder)trans-124.3126.5179.4-176.970.2000110.2L18 V28 I36 Y37 V39 A348 I356 I358 L833L18-L26 HydrophobicContact CD2-CD1 4.46Å; L18-L26 HydrophobicContact CD2-CD2 4.06Å; L18-L26 HydrophobicContact CD2-CG 4.28Å; L26-V28 HydrophobicContact CD2-CG2 4.2Å; L26-V28 HydrophobicContact CG-CG2 4.15Å; L26-I36 WeakPolarHBondContact O-CA 3.19Å; L26-Y37 PolarHBondContact N-O 2.82Å; L26-Y37 PolarHBondContact O-N 3.43Å; L26-V39 HydrophobicContact CB-CG2 4.07Å; L26-A348 HydrophobicContact CD1-CB 4.01Å; L26-A348 HydrophobicContact CD2-CB 3.99Å; L26-I356 HydrophobicContact CD2-CG2 3.89Å; L26-I358 HydrophobicContact CD2-CD1 4.05Å; L26-I358 HydrophobicContact CD2-CG1 4.49Å; L26-L833 HydrophobicContact CD2-CD1 3.99Å
27V95.2Very high91.9Very high0 Ų013.3 Ų13.30%07%0.074CC..EExtended strand (participates in β ladder)trans-91.8134.5172.4-1640000109.2L18 S19 I21 L34 I36 I59 T61 L72L18-V27 WeakPolarHBondContact CA-O 3.4Å; S19-V27 PolarHBondContact N-O 3.44Å; S19-V27 PolarHBondContact O-N 3.49Å; I21-V27 HydrophobicContact CD1-CG2 3.24Å; I21-V27 HydrophobicContact CG1-CG2 3.59Å; V27-L34 HydrophobicContact CG1-CD1 3.58Å; V27-L34 HydrophobicContact CG1-CD2 4.38Å; V27-L34 HydrophobicContact CG1-CG 3.97Å; V27-I36 HydrophobicContact CG1-CG1 4.23Å; V27-I36 HydrophobicContact CG2-CG1 4.26Å; V27-I59 HydrophobicContact CG1-CD1 3.95Å; V27-I59 HydrophobicContact CG1-CG2 4.19Å; V27-T61 HydrophobicContact CG2-CG2 4.34Å; V27-L72 HydrophobicContact CG1-CD1 4.39Å; V27-L72 HydrophobicContact CG2-CD2 4.26Å
28V94.9Very high91.6Very high3 Ų314.4 Ų14.42%0.0188%0.08CC..EExtended strand (participates in β ladder)trans-128.8124.9-172.9-177.80000109.3I15 L18 L26 L34 S35 Y37 I356I15-V28 HydrophobicContact CD1-CG1 3.97Å; I15-V28 HydrophobicContact CG2-CG1 3.87Å; L18-V28 HydrophobicContact CD2-CB 4.13Å; L18-V28 HydrophobicContact CD2-CG1 4.06Å; L18-V28 HydrophobicContact CD2-CG2 3.66Å; L26-V28 HydrophobicContact CD2-CG2 4.2Å; L26-V28 HydrophobicContact CG-CG2 4.15Å; V28-L34 WeakPolarHBondContact O-CA 3.24Å; V28-S35 PolarHBondContact N-O 3.18Å; V28-S35 PolarHBondContact O-N 3Å; V28-Y37 HydrophobicContact CB-CD2 4.03Å; V28-Y37 HydrophobicContact CB-CE2 3.88Å; V28-Y37 HydrophobicContact CG1-CE2 4.32Å; V28-Y37 HydrophobicContact CG2-CD2 3.37Å; V28-Y37 HydrophobicContact CG2-CE2 3.63Å; V28-Y37 HydrophobicContact CG2-CG 4.4Å; V28-I356 HydrophobicContact CB-CD1 4.34Å; V28-I356 HydrophobicContact CG1-CD1 3.61Å; V28-I356 HydrophobicContact CG1-CG1 4.44Å; V28-I356 HydrophobicContact CG2-CD1 3.84Å
29G94.1Very high91.1Very high0 Ų014.3 Ų14.30%08%0.08CC..EExtended strand (participates in β ladder)trans-101122.7170.300000110.7T16 A17T16-G29 PolarHBondContact N-O 3.5Å; T16-G29 VanDerWaalsContact N-O 3.15Å; T16-G29 PolarHBondContact OG1-O 3.17Å; A17-G29 PolarHBondContact N-O 3.21Å; A17-G29 PolarHBondContact O-N 3.28Å
30S92.7Very high90.5Very high13 Ų1319.7 Ų19.79%0.09110%0.103CC..EExtended strand (participates in β ladder)trans-137.8111.4176.81670000109N32 L33S30-N32 PolarHBondContact O-N 3.29Å; S30-L33 PolarHBondContact N-O 3.04Å; S30-L33 WeakPolarHBondContact O-CB 3.48Å; S30-L33 PolarHBondContact O-N 2.87Å
31A90.2Very high90Very high3 Ų326.3 Ų26.33%0.02513%0.132CC..THydrogen-bonded Turntrans54.9-123.9-172.800000111.6C13 I56C13-A31 HydrophobicContact CB-CB 4.28Å; A31-I56 WeakPolarHBondContact O-CG1 3.32Å; A31-I56 PolarHBondContact O-N 3.1Å
32N90.1Very high89.6Confident7 Ų730.9 Ų30.94%0.03715%0.151CC..THydrogen-bonded Turntrans-94.210.517470.5-40.9000113.4S30 L49 L50 V54 C1296S30-N32 PolarHBondContact O-N 3.29Å; N32-L49 VanDerWaalsContact ND2-CD1 3.26Å; N32-L49 WeakPolarHBondContact ND2-CD1 3.43Å; N32-L50 HydrophobicContact CB-CB 4.39Å; N32-L50 PolarHBondContact ND2-O 2.87Å; N32-L50 VanDerWaalsContact ND2-O 3.09Å; N32-L50 WeakPolarHBondContact O-CB 3.24Å; N32-L50 PolarHBondContact O-N 3.4Å; N32-V54 WeakPolarHBondContact CA-O 3.42Å; N32-V54 WeakPolarHBondContact CB-O 3.32Å; N32-C1296 HydrophobicContact CB-CB 4.5Å; N32-C1296 WeakPolarHBondContact OD1-CB 3.16Å
33L91.8Very high89.4Confident20 Ų2030.6 Ų30.611%0.10515%0.149CC..EExtended strand (participates in β ladder)trans-105.9123-179.4-175.674.8000110.6S30 S35 K47 L49 I56S30-L33 PolarHBondContact N-O 3.04Å; S30-L33 WeakPolarHBondContact O-CB 3.48Å; S30-L33 PolarHBondContact O-N 2.87Å; L33-S35 WeakPolarHBondContact CD2-OG 3.17Å; L33-K47 HydrophobicContact CD1-CB 4.07Å; L33-K47 HydrophobicContact CD2-CD 4.11Å; L33-L49 HydrophobicContact CD1-CD1 4.21Å; L33-I56 WeakPolarHBondContact O-CD1 3.29Å
34L93.9Very high89.4Confident0 Ų027.4 Ų27.40%014%0.135CC..EExtended strand (participates in β ladder)trans-94.7131.3165.8-168.575.7000108.7V27 V28 K47 Y48 I56 I59 L72 V74 L83 L92V27-L34 HydrophobicContact CG1-CD1 3.58Å; V27-L34 HydrophobicContact CG1-CD2 4.38Å; V27-L34 HydrophobicContact CG1-CG 3.97Å; V28-L34 WeakPolarHBondContact O-CA 3.24Å; L34-K47 CarbonylContact O-C 3.55Å; L34-K47 WeakPolarHBondContact O-CA 3.46Å; L34-Y48 PolarHBondContact N-O 3.25Å; L34-Y48 PolarHBondContact O-N 3.24Å; L34-I56 HydrophobicContact CB-CD1 4.2Å; L34-I56 HydrophobicContact CD1-CD1 4.25Å; L34-I59 HydrophobicContact CD1-CD1 3.5Å; L34-I59 HydrophobicContact CD1-CG1 4.01Å; L34-L72 HydrophobicContact CD2-CD1 4.16Å; L34-V74 HydrophobicContact CD1-CG1 4.48Å; L34-V74 HydrophobicContact CD1-CG2 3.98Å; L34-V74 HydrophobicContact CD2-CG2 3.96Å; L34-L83 HydrophobicContact CD2-CD1 3.56Å; L34-L92 HydrophobicContact CD2-CD1 4.11Å
35S92.6Very high89.4Confident4 Ų427.3 Ų27.33%0.02813%0.132CC..EExtended strand (participates in β ladder)trans-132140.6177.1-59.50000110.3V28 L33 C46V28-S35 PolarHBondContact N-O 3.18Å; V28-S35 PolarHBondContact O-N 3Å; L33-S35 WeakPolarHBondContact CD2-OG 3.17Å; S35-C46 WeakPolarHBondContact CA-O 3.1Å
36I93.3Very high89.2Confident0 Ų027.1 Ų27.10%013%0.132CC..EExtended strand (participates in β ladder)trans-108.6125.1173-59.8-178.8000108.1I21 L26 V27 V44 L45 C46 L72 F85 L92I21-I36 HydrophobicContact CD1-CD1 4.42Å; L26-I36 WeakPolarHBondContact O-CA 3.19Å; V27-I36 HydrophobicContact CG1-CG1 4.23Å; V27-I36 HydrophobicContact CG2-CG1 4.26Å; I36-V44 CarbonylContact O-C 3.59Å; I36-L45 HydrophobicContact CG2-CD1 4.3Å; I36-L45 PolarHBondContact O-N 3.21Å; I36-C46 PolarHBondContact N-O 3.35Å; I36-L72 HydrophobicContact CD1-CD1 4.09Å; I36-F85 HydrophobicContact CD1-CB 4.19Å; I36-F85 HydrophobicContact CD1-CD1 3.94Å; I36-F85 HydrophobicContact CD1-CD2 3.31Å; I36-F85 HydrophobicContact CD1-CE1 4.12Å; I36-F85 HydrophobicContact CD1-CE2 3.52Å; I36-F85 HydrophobicContact CD1-CG 3.53Å; I36-F85 HydrophobicContact CD1-CZ 3.93Å; I36-F85 HydrophobicContact CG2-CE1 4.45Å; I36-F85 HydrophobicContact CG2-CZ 4.15Å; I36-L92 HydrophobicContact CD1-CD1 4.17Å; I36-L92 HydrophobicContact CD1-CD2 4.08Å; I36-L92 HydrophobicContact CD1-CG 4.29Å
37Y90.7Very high89.1Confident13 Ų1332.4 Ų32.45%0.05116%0.155CC..EExtended strand (participates in β ladder)trans-106142.5-178.6-75.3-101.3000111.3L25 L26 V28 S43 V44 I356 L833 E900L25-Y37 WeakPolarHBondContact CA-O 3.37Å; L26-Y37 PolarHBondContact N-O 2.82Å; L26-Y37 PolarHBondContact O-N 3.43Å; V28-Y37 HydrophobicContact CB-CD2 4.03Å; V28-Y37 HydrophobicContact CB-CE2 3.88Å; V28-Y37 HydrophobicContact CG1-CE2 4.32Å; V28-Y37 HydrophobicContact CG2-CD2 3.37Å; V28-Y37 HydrophobicContact CG2-CE2 3.63Å; V28-Y37 HydrophobicContact CG2-CG 4.4Å; Y37-S43 WeakPolarHBondContact CA-O 3.43Å; Y37-V44 HydrophobicContact CD1-CG2 3.95Å; Y37-V44 HydrophobicContact CE1-CG2 3.39Å; Y37-V44 HydrophobicContact CE2-CG2 4.17Å; Y37-I356 HydrophobicContact CE2-CD1 4.22Å; Y37-L833 HydrophobicContact CD1-CB 4.16Å; Y37-L833 HydrophobicContact CD1-CD1 4.15Å; Y37-L833 HydrophobicContact CE1-CB 4.42Å; Y37-L833 HydrophobicContact CG-CD1 4.09Å; Y37-E900 PolarHBondContact OH-OE1 3.29Å
38N89.1Confident88.8Confident23 Ų2334.9 Ų34.912%0.12317%0.165CC..EExtended strand (participates in β ladder)trans-89.9110.3161.2-171.7-54.6000109.3S24 H40 K41 K42 S43 L45S24-N38 CarbonylContact O-C 3.51Å; S24-N38 WeakPolarHBondContact O-CA 3.3Å; N38-H40 VanDerWaalsContact C-N 3.32Å; N38-H40 PolarHBondContact O-N 3.01Å; N38-H40 PolarHBondContact OD1-N 2.95Å; N38-H40 VanDerWaalsContact OD1-N 3.15Å; N38-K41 HydrophobicContact CB-CB 4.09Å; N38-K41 PolarHBondContact O-N 2.82Å; N38-K41 PolarHBondContact OD1-N 3.45Å; N38-K42 PolarHBondContact O-N 3.33Å; N38-S43 PolarHBondContact N-O 3.41Å; N38-S43 PolarHBondContact O-N 3.01Å; N38-L45 HydrophobicContact CB-CD1 4.13Å; N38-L45 HydrophobicContact CB-CD2 4.1Å; N38-L45 HydrophobicContact CB-CG 4.05Å
39V85.5Confident88.6Confident3 Ų340.3 Ų40.32%0.01819%0.193CC..THydrogen-bonded Turntrans-60.1-41.3-174.9175.40000112S24 L26 I358 L833S24-V39 PolarHBondContact O-N 3.48Å; L26-V39 HydrophobicContact CB-CG2 4.07Å; V39-I358 HydrophobicContact CB-CD1 4.11Å; V39-I358 HydrophobicContact CG1-CD1 3.51Å; V39-I358 HydrophobicContact CG1-CG2 4.25Å; V39-I358 HydrophobicContact CG2-CD1 3.62Å; V39-L833 HydrophobicContact CG2-CD1 4.47Å
40H82.3Confident88.3Confident128 Ų12840.6 Ų40.659%0.59319%0.194SC*.THydrogen-bonded Turntrans-75.2-39.3-177.4-62.2-57.9000112.5N38 K42N38-H40 VanDerWaalsContact C-N 3.32Å; N38-H40 PolarHBondContact O-N 3.01Å; N38-H40 PolarHBondContact OD1-N 2.95Å; N38-H40 VanDerWaalsContact OD1-N 3.15Å; H40-K42 VanDerWaalsContact C-N 3.32Å
41K80.2Confident88Confident154 Ų15445.9 Ų45.967%0.6721%0.212SC*.THydrogen-bonded Turntrans-80.2-12.8178.7-65.4-176.8178.5-179.20113.3N38 S43N38-K41 HydrophobicContact CB-CB 4.09Å; N38-K41 PolarHBondContact O-N 2.82Å; N38-K41 PolarHBondContact OD1-N 3.45Å; K41-S43 PolarHBondContact O-N 3.14Å
42K81Confident87.3Confident117 Ų11753.9 Ų53.951%0.50924%0.242SC..THydrogen-bonded Turntrans51.337.9-171.9-52.9-172.8-172.3-172.50112.6N38 H40 I831 L833N38-K42 PolarHBondContact O-N 3.33Å; H40-K42 VanDerWaalsContact C-N 3.32Å; K42-I831 HydrophobicContact CD-CG2 4.17Å; K42-I831 HydrophobicContact CG-CG2 4.16Å; K42-L833 HydrophobicContact CB-CD2 4.22Å; K42-L833 HydrophobicContact CG-CD2 4.17Å
43S82.2Confident86.7Confident28 Ų2859.2 Ų59.220%0.19627%0.265CS..EExtended strand (participates in β ladder)trans-124.6149.1-178.171.40000109.8Y37 N38 K41Y37-S43 WeakPolarHBondContact CA-O 3.43Å; N38-S43 PolarHBondContact N-O 3.41Å; N38-S43 PolarHBondContact O-N 3.01Å; K41-S43 PolarHBondContact O-N 3.14Å
44V85.4Confident86.4Confident4 Ų458.4 Ų58.42%0.02426%0.261CS..EExtended strand (participates in β ladder)trans-66.3152.8162.5-174.90000107.8I36 Y37 C46 K47 I898 E900I36-V44 CarbonylContact O-C 3.59Å; Y37-V44 HydrophobicContact CD1-CG2 3.95Å; Y37-V44 HydrophobicContact CE1-CG2 3.39Å; Y37-V44 HydrophobicContact CE2-CG2 4.17Å; V44-C46 WeakPolarHBondContact CG1-O 3.48Å; V44-K47 HydrophobicContact CG1-CD 4.38Å; V44-K47 HydrophobicContact CG1-CG 3.72Å; V44-I898 WeakPolarHBondContact O-CG2 3.16Å; V44-E900 HydrophobicContact CG2-CG 3.98Å; V44-E900 WeakPolarHBondContact CG2-OE1 3.42Å
45L86.8Confident86.1Confident35 Ų3561.2 Ų61.218%0.18328%0.275CS..EExtended strand (participates in β ladder)trans-106.7-50.6171.2-69.2175.5000109.5L25 I36 N38 I898L25-L45 HydrophobicContact CD2-CD1 3.33Å; I36-L45 HydrophobicContact CG2-CD1 4.3Å; I36-L45 PolarHBondContact O-N 3.21Å; N38-L45 HydrophobicContact CB-CD1 4.13Å; N38-L45 HydrophobicContact CB-CD2 4.1Å; N38-L45 HydrophobicContact CB-CG 4.05Å; L45-I898 VanDerWaalsContact O-CD1 3.26Å; L45-I898 WeakPolarHBondContact O-CD1 3.03Å
46C88.5Confident86.2Confident15 Ų1561 Ų6110%0.10127%0.274CS..EExtended strand (participates in β ladder)trans-147160.9176.263.90000111.5S35 I36 V44 S90S35-C46 WeakPolarHBondContact CA-O 3.1Å; I36-C46 PolarHBondContact N-O 3.35Å; V44-C46 WeakPolarHBondContact CG1-O 3.48Å; C46-S90 WeakPolarHBondContact CB-O 3.44Å; C46-S90 PolarHBondContact SG-O 2.87Å
47K89.4Confident86.1Confident110 Ų11064.9 Ų64.948%0.47829%0.292SS..EExtended strand (participates in β ladder)trans-132.4137.3179.5-69.3-171.4175.7-177.10109L33 L34 V44L33-K47 HydrophobicContact CD1-CB 4.07Å; L33-K47 HydrophobicContact CD2-CD 4.11Å; L34-K47 CarbonylContact O-C 3.55Å; L34-K47 WeakPolarHBondContact O-CA 3.46Å; V44-K47 HydrophobicContact CG1-CD 4.38Å; V44-K47 HydrophobicContact CG1-CG 3.72Å
48Y90.6Very high86.2Confident53 Ų5366.2 Ų66.221%0.20830%0.3CS..EExtended strand (participates in β ladder)trans-128.1119.9175.3-167.1-86.2000109.6L34 L50 L83 L92L34-Y48 PolarHBondContact N-O 3.25Å; L34-Y48 PolarHBondContact O-N 3.24Å; Y48-L50 HydrophobicContact CD1-CD2 3.79Å; Y48-L50 HydrophobicContact CD1-CG 4.43Å; Y48-L50 HydrophobicContact CE1-CD2 3.76Å; Y48-L83 HydrophobicContact CD1-CD1 3.91Å; Y48-L83 HydrophobicContact CD1-CD2 4.35Å; Y48-L83 HydrophobicContact CE1-CD1 4.26Å; Y48-L83 HydrophobicContact CE1-CD2 3.89Å; Y48-L83 HydrophobicContact CE2-CD2 4.24Å; Y48-L83 HydrophobicContact CG-CD1 4.16Å; Y48-L92 HydrophobicContact CD2-CB 3.89Å; Y48-L92 HydrophobicContact CG-CB 4.44Å; Y48-L92 HydrophobicContact CG-CD1 4.48Å
49L89.3Confident86.5Confident116 Ų11665.4 Ų65.461%0.60730%0.295SS*.EExtended strand (participates in β ladder)trans-92.5109.3-178.5-171.870.5000109.8N32 L33N32-L49 VanDerWaalsContact ND2-CD1 3.26Å; N32-L49 WeakPolarHBondContact ND2-CD1 3.43Å; L33-L49 HydrophobicContact CD1-CD1 4.21Å
50L89.3Confident86.8Confident6 Ų666.9 Ų66.93%0.03130%0.302CS..  trans-72.7171.3173.8-60.2174.5000111.3N32 Y48 V54 I56 V74 F79 T81N32-L50 HydrophobicContact CB-CB 4.39Å; N32-L50 PolarHBondContact ND2-O 2.87Å; N32-L50 VanDerWaalsContact ND2-O 3.09Å; N32-L50 WeakPolarHBondContact O-CB 3.24Å; N32-L50 PolarHBondContact O-N 3.4Å; Y48-L50 HydrophobicContact CD1-CD2 3.79Å; Y48-L50 HydrophobicContact CD1-CG 4.43Å; Y48-L50 HydrophobicContact CE1-CD2 3.76Å; L50-V54 HydrophobicContact CB-CB 4.24Å; L50-V54 HydrophobicContact CB-CG1 4.31Å; L50-V54 HydrophobicContact CD1-CG1 3.92Å; L50-I56 HydrophobicContact CD1-CD1 3.76Å; L50-I56 HydrophobicContact CD1-CG1 3.58Å; L50-V74 HydrophobicContact CD1-CG1 3.98Å; L50-F79 HydrophobicContact CD1-CE1 4.49Å; L50-F79 HydrophobicContact CD2-CE1 4.19Å; L50-T81 HydrophobicContact CD2-CG2 3.91Å
51R85.5Confident87.2Confident124 Ų12462.4 Ų62.447%0.46828%0.284SS..  trans-57148.6179.8-51.1-145.9-162178.1-10.4111.7F53 V54 E97 Y99R51-F53 HydrophobicContact CB-CE1 4.31Å; R51-F53 HydrophobicContact CB-CE2 3.95Å; R51-F53 HydrophobicContact CB-CZ 3.78Å; R51-F53 HydrophobicContact CG-CZ 4.5Å; R51-F53 PolarHBondContact O-N 3.34Å; R51-V54 HydrophobicContact CB-CG2 4.04Å; R51-V54 WeakPolarHBondContact O-CB 3.14Å; R51-V54 WeakPolarHBondContact O-CG2 3.34Å; R51-V54 PolarHBondContact O-N 2.67Å; R51-E97 IonicContact CZ-OE2 3.45Å; R51-E97 VanDerWaalsContact CZ-OE2 3.31Å; R51-E97 IonicContact NE-OE2 3.68Å; R51-E97 PolarHBondContact NE-OE2 2.78Å; R51-E97 VanDerWaalsContact NE-OE2 3.11Å; R51-E97 IonicContact NH2-OE2 3.31Å; R51-E97 PolarHBondContact NH2-OE2 3.11Å; R51-Y99 WeakPolarHBondContact CD-OH 2.98Å; R51-Y99 PolarHBondContact NE-OH 3.37Å
52R76.5Confident87.6Confident172 Ų17256.5 Ų56.565%0.64926%0.259SS*.THydrogen-bonded Turntrans-58.3-23.1-166.4-64.1-178.6179.2171.6-0.8115.9L1294 C1296R52-L1294 HydrophobicContact CB-CD2 4.09Å; R52-L1294 WeakPolarHBondContact O-CD2 3.36Å; R52-C1296 PolarHBondContact O-SG 3.47Å
53F77.6Confident87.8Confident119 Ų11955.1 Ų55.152%0.52226%0.262SS..THydrogen-bonded Turntrans-100.13.6-178.647.2-107.1000113.1R51 Y99R51-F53 HydrophobicContact CB-CE1 4.31Å; R51-F53 HydrophobicContact CB-CE2 3.95Å; R51-F53 HydrophobicContact CB-CZ 3.78Å; R51-F53 HydrophobicContact CG-CZ 4.5Å; R51-F53 PolarHBondContact O-N 3.34Å; F53-Y99 HydrophobicContact CD2-CE1 4.42Å; F53-Y99 AromaticContact CE2-CE1 3.33Å; F53-Y99 HydrophobicContact CE2-CE1 3.33Å; F53-Y99 AromaticContact CE2-CZ 3.68Å; F53-Y99 WeakPolarHBondContact CE2-OH 3.45Å; F53-Y99 AromaticContact CZ-CE1 3.62Å; F53-Y99 HydrophobicContact CZ-CE1 3.62Å; F53-Y99 AromaticContact CZ-CZ 3.69Å; F53-Y99 WeakPolarHBondContact CZ-OH 3.18Å
54V84.3Confident87.8Confident2 Ų254.6 Ų54.61%0.01226%0.257CS..  trans-86.5129.8-176.6179.90000109.4N32 L50 R51 F79N32-V54 WeakPolarHBondContact CA-O 3.42Å; N32-V54 WeakPolarHBondContact CB-O 3.32Å; L50-V54 HydrophobicContact CB-CB 4.24Å; L50-V54 HydrophobicContact CB-CG1 4.31Å; L50-V54 HydrophobicContact CD1-CG1 3.92Å; R51-V54 HydrophobicContact CB-CG2 4.04Å; R51-V54 WeakPolarHBondContact O-CB 3.14Å; R51-V54 WeakPolarHBondContact O-CG2 3.34Å; R51-V54 PolarHBondContact O-N 2.67Å; V54-F79 HydrophobicContact CB-CD1 4.18Å; V54-F79 HydrophobicContact CG1-CB 4.32Å; V54-F79 HydrophobicContact CG1-CD1 3.53Å; V54-F79 HydrophobicContact CG1-CE1 4.22Å; V54-F79 HydrophobicContact CG1-CG 4.24Å; V54-F79 HydrophobicContact CG2-CB 3.89Å; V54-F79 HydrophobicContact CG2-CD1 3.5Å; V54-F79 HydrophobicContact CG2-CD2 4.27Å; V54-F79 HydrophobicContact CG2-CE1 4.02Å; V54-F79 HydrophobicContact CG2-CG 3.61Å
55I88.7Confident87.1Confident60 Ų6059.7 Ų59.731%0.30829%0.293SS..  trans-114.6118.7166.4-59.8176000105.6H57 G76I55-H57 PolarHBondContact O-CD2 2.97Å; I55-H57 PolarHBondContact O-N 3.2Å; I55-G76 CarbonylContact O-C 3.59Å; I55-G76 WeakPolarHBondContact O-CA 3.41Å
56I93.4Very high86.3Confident0 Ų064.4 Ų64.40%031%0.312CS..  trans-66.1122.1179-61166.6000108.1T16 A17 A31 L33 L34 L50 I59 V74T16-I56 VanDerWaalsContact CB-O 3.29Å; T16-I56 WeakPolarHBondContact CB-O 3.47Å; T16-I56 PolarHBondContact OG1-O 3Å; A17-I56 HydrophobicContact CB-CG2 3.86Å; A31-I56 WeakPolarHBondContact O-CG1 3.32Å; A31-I56 PolarHBondContact O-N 3.1Å; L33-I56 WeakPolarHBondContact O-CD1 3.29Å; L34-I56 HydrophobicContact CB-CD1 4.2Å; L34-I56 HydrophobicContact CD1-CD1 4.25Å; L50-I56 HydrophobicContact CD1-CD1 3.76Å; L50-I56 HydrophobicContact CD1-CG1 3.58Å; I56-I59 HydrophobicContact CG2-CD1 4.29Å; I56-I59 HydrophobicContact CG2-CG1 3.94Å; I56-V74 HydrophobicContact CB-CG1 4.27Å; I56-V74 HydrophobicContact CD1-CG1 4.13Å; I56-V74 HydrophobicContact CG1-CG1 3.76Å; I56-V74 HydrophobicContact CG2-CG1 3.64Å
57H92.2Very high85.3Confident80 Ų8068.2 Ų68.237%0.3732%0.324SS..  trans-99.9-32.9176.5-69.5176.9000111.9I55 F75 N77I55-H57 PolarHBondContact O-CD2 2.97Å; I55-H57 PolarHBondContact O-N 3.2Å; H57-F75 PolarHBondContact N-O 3.06Å; H57-N77 PolarHBondContact CE1-N 2.69Å; H57-N77 PolarHBondContact CE1-OD1 2.94Å; H57-N77 PolarHBondContact ND1-N 2.94Å; H57-N77 PolarHBondContact NE2-OD1 3.45Å
58N93.1Very high84.9Confident41 Ų4168.1 Ų68.122%0.21933%0.329CS..EExtended strand (participates in β ladder)trans-158.9164.5177.8-152.7-8.1000111.2F75N58-F75 HydrophobicContact CB-CD1 4.44Å; N58-F75 HydrophobicContact CB-CE1 3.71Å; N58-F75 HydrophobicContact CB-CE2 3.81Å; N58-F75 HydrophobicContact CB-CZ 3.37Å; N58-F75 PolarHBondContact N-O 2.98Å; N58-F75 PolarHBondContact O-N 3.2Å
59I94.3Very high84.7Confident7 Ų765.7 Ų65.74%0.03632%0.32CS..EExtended strand (participates in β ladder)trans-136.5122.7-179.5-58.9157.4000107.8A17 V27 L34 I56 T61 C73 V74A17-I59 HydrophobicContact CB-CD1 3.7Å; A17-I59 HydrophobicContact CB-CG1 3.83Å; V27-I59 HydrophobicContact CG1-CD1 3.95Å; V27-I59 HydrophobicContact CG1-CG2 4.19Å; L34-I59 HydrophobicContact CD1-CD1 3.5Å; L34-I59 HydrophobicContact CD1-CG1 4.01Å; I56-I59 HydrophobicContact CG2-CD1 4.29Å; I56-I59 HydrophobicContact CG2-CG1 3.94Å; I59-T61 HydrophobicContact CG2-CG2 3.98Å; I59-C73 CarbonylContact C-O 3.5Å; I59-C73 WeakPolarHBondContact CA-O 3.22Å; I59-V74 HydrophobicContact CG1-CG1 4.3Å; I59-V74 HydrophobicContact CG1-CG2 4.36Å; I59-V74 HydrophobicContact CG2-CG2 4.4Å
60E91.9Very high84.7Confident33 Ų3361.6 Ų61.615%0.15430%0.297CS..EExtended strand (participates in β ladder)trans-106136.4169.8-167.5177.5112.900109.6L72 C73 Y106 K108 I109E60-L72 CarbonylContact O-C 3.48Å; E60-L72 WeakPolarHBondContact O-CA 3.42Å; E60-C73 HydrophobicContact CB-CB 4.29Å; E60-C73 PolarHBondContact N-O 3Å; E60-C73 PolarHBondContact O-N 3.17Å; E60-Y106 PolarHBondContact OE2-OH 2.83Å; E60-K108 VanDerWaalsContact OE1-CA 3.3Å; E60-K108 WeakPolarHBondContact OE1-CA 3.29Å; E60-K108 WeakPolarHBondContact OE1-CG 3.49Å; E60-K108 WeakPolarHBondContact OE2-CA 3.31Å; E60-I109 PolarHBondContact OE1-N 3.22Å
61T91.3Very high84.8Confident35 Ų3561.3 Ų61.322%0.21530%0.296CS..EExtended strand (participates in β ladder)trans-124132-17556.70000110.5S19 I21 V27 I59 L71 L72S19-T61 WeakPolarHBondContact OG-CG2 3.45Å; S19-T61 PolarHBondContact OG-OG1 3.47Å; S19-T61 VanDerWaalsContact OG-OG1 3.08Å; I21-T61 HydrophobicContact CG1-CG2 4.36Å; V27-T61 HydrophobicContact CG2-CG2 4.34Å; I59-T61 HydrophobicContact CG2-CG2 3.98Å; T61-L71 WeakPolarHBondContact CA-O 3.33Å; T61-L72 HydrophobicContact CG2-CD2 3.49Å; T61-L72 VanDerWaalsContact CG2-CD2 3.49Å
62M88.9Confident85.2Confident30 Ų3055.4 Ų55.415%0.14827%0.274CS..EExtended strand (participates in β ladder)trans-130.5131177.8-176.1-178.466.200109.9L71 I109 S111 L116M62-L71 HydrophobicContact CE-CB 4.4Å; M62-L71 HydrophobicContact CE-CD1 3.71Å; M62-L71 HydrophobicContact CE-CG 4.47Å; M62-L71 PolarHBondContact N-O 3.22Å; M62-L71 PolarHBondContact O-N 2.94Å; M62-I109 HydrophobicContact CB-CD1 3.7Å; M62-I109 HydrophobicContact CB-CG1 4.06Å; M62-I109 HydrophobicContact CE-CD1 4.31Å; M62-S111 WeakPolarHBondContact CE-OG 3.49Å; M62-L116 HydrophobicContact CE-CD1 4.46Å
63P85.5Confident86Confident88 Ų8847.2 Ų47.257%0.57124%0.243SC*.EExtended strand (participates in β ladder)trans-70132.6172.828.9-32.5000110.7
64D81.3Confident86.8Confident17 Ų1741.6 Ų41.69%0.09122%0.218CC..EExtended strand (participates in β ladder)trans-100.593.6164.7-172.5-14.7000108.8K66 R67 N68 S69 L71D64-K66 PolarHBondContact O-N 2.8Å; D64-K66 VanDerWaalsContact O-N 3.07Å; D64-K66 PolarHBondContact OD1-N 2.97Å; D64-R67 PolarHBondContact O-N 3.45Å; D64-N68 PolarHBondContact O-N 2.89Å; D64-S69 PolarHBondContact N-O 2.92Å; D64-L71 HydrophobicContact CB-CG 4.47Å
65S71.3Confident87.3Confident111 Ų11141.7 Ų41.778%0.77622%0.218SC*.THydrogen-bonded Turntrans-60.5-19.6-178.257.60000113.6
66K68.9Low87.3Confident133 Ų13338.9 Ų38.958%0.57820%0.204SC*.THydrogen-bonded Turntrans-85.6-32.7-177.3-66.7-172.6177-170.50112.4D64 E113D64-K66 PolarHBondContact O-N 2.8Å; D64-K66 VanDerWaalsContact O-N 3.07Å; D64-K66 PolarHBondContact OD1-N 2.97Å; K66-E113 VanDerWaalsContact NZ-CG 3.29Å; K66-E113 IonicContact NZ-OE1 2.71Å; K66-E113 PolarHBondContact NZ-OE1 3.41Å
67R68.6Low87Confident96 Ų9641.1 Ų41.136%0.36222%0.216SC..THydrogen-bonded Turntrans-102.1-0.7-174.9-67.8-174.8179.8-174.54.9114.4D64 S69 E84D64-R67 PolarHBondContact O-N 3.45Å; R67-S69 WeakPolarHBondContact CB-OG 3.44Å; R67-S69 PolarHBondContact O-N 3.1Å; R67-E84 WeakPolarHBondContact CD-OE1 3.34Å; R67-E84 IonicContact NH1-OE1 3.98Å; R67-E84 IonicContact NH1-OE2 3.91Å
68N79.9Confident86.9Confident107 Ų10743.9 Ų43.957%0.57222%0.223SC*.THydrogen-bonded Turntrans54.832.2-172.1-103.93000112.1D64D64-N68 PolarHBondContact O-N 2.89Å
69S86.7Confident86.9Confident3 Ų342.1 Ų42.12%0.02121%0.213CC..EExtended strand (participates in β ladder)trans-125.8165.2-178.364.30000110.6D64 R67 E84 F85D64-S69 PolarHBondContact N-O 2.92Å; R67-S69 WeakPolarHBondContact CB-OG 3.44Å; R67-S69 PolarHBondContact O-N 3.1Å; S69-E84 WeakPolarHBondContact CB-OE1 3.13Å; S69-E84 PolarHBondContact OG-OE1 3.38Å; S69-F85 CarbonylContact C-O 3.59Å; S69-F85 VanDerWaalsContact CA-O 3.22Å; S69-F85 WeakPolarHBondContact CA-O 3.38Å; S69-F85 VanDerWaalsContact CB-O 3.3Å; S69-F85 WeakPolarHBondContact CB-O 3.38Å
70H89.7Confident86.9Confident30 Ų3041.8 Ų41.814%0.13921%0.212CC..EExtended strand (participates in β ladder)trans-115.2129.4171.8-74.2-89000109.6I21 L72 F85I21-H70 WeakPolarHBondContact CG2-NE2 3.46Å; H70-L72 HydrophobicContact CB-CD2 4.33Å; H70-F85 HydrophobicContact CB-CB 4.41Å; H70-F85 PolarHBondContact N-O 3.19Å; H70-F85 PolarHBondContact O-N 3.09Å
71L91.9Very high87Confident0 Ų040.2 Ų40.20%020%0.204CC..EExtended strand (participates in β ladder)trans-84.6127171.5-61.3-175.5000109T61 M62 D64 L83 E84 I95 I109 L116 W134T61-L71 WeakPolarHBondContact CA-O 3.33Å; M62-L71 HydrophobicContact CE-CB 4.4Å; M62-L71 HydrophobicContact CE-CD1 3.71Å; M62-L71 HydrophobicContact CE-CG 4.47Å; M62-L71 PolarHBondContact N-O 3.22Å; M62-L71 PolarHBondContact O-N 2.94Å; D64-L71 HydrophobicContact CB-CG 4.47Å; L71-L83 WeakPolarHBondContact CA-O 3.44Å; L71-E84 HydrophobicContact CD2-CB 4.2Å; L71-E84 HydrophobicContact CD2-CG 4.08Å; L71-I95 HydrophobicContact CD2-CD1 3.42Å; L71-I95 VanDerWaalsContact CD2-CD1 3.42Å; L71-I109 HydrophobicContact CB-CD1 3.75Å; L71-L116 HydrophobicContact CD1-CD1 3.87Å; L71-W134 HydrophobicContact CD1-CH2 4.33Å; L71-W134 HydrophobicContact CD1-CZ2 4.28Å
72L93.5Very high87.1Confident0 Ų038.6 Ų38.60%019%0.194CC..EExtended strand (participates in β ladder)trans-113.4111.3179.5-47-179.4000108.6I21 V27 L34 I36 E60 T61 H70 V82 L83 F85 L92I21-L72 HydrophobicContact CD1-CD2 4.15Å; I21-L72 HydrophobicContact CG1-CD2 4.43Å; V27-L72 HydrophobicContact CG1-CD1 4.39Å; V27-L72 HydrophobicContact CG2-CD2 4.26Å; L34-L72 HydrophobicContact CD2-CD1 4.16Å; I36-L72 HydrophobicContact CD1-CD1 4.09Å; E60-L72 CarbonylContact O-C 3.48Å; E60-L72 WeakPolarHBondContact O-CA 3.42Å; T61-L72 HydrophobicContact CG2-CD2 3.49Å; T61-L72 VanDerWaalsContact CG2-CD2 3.49Å; H70-L72 HydrophobicContact CB-CD2 4.33Å; L72-V82 WeakPolarHBondContact O-CA 3.04Å; L72-L83 HydrophobicContact CB-CB 4.41Å; L72-L83 PolarHBondContact N-O 3.16Å; L72-L83 PolarHBondContact O-N 2.75Å; L72-F85 HydrophobicContact CD1-CB 4.08Å; L72-F85 HydrophobicContact CG-CB 4.33Å; L72-L92 HydrophobicContact CD1-CD2 3.61Å
73C93.9Very high87.3Confident0 Ų037.1 Ų37.10%019%0.187CC..EExtended strand (participates in β ladder)trans-90113.9169.1-171.10000109.2I59 E60 T81 I109I59-C73 CarbonylContact C-O 3.5Å; I59-C73 WeakPolarHBondContact CA-O 3.22Å; E60-C73 HydrophobicContact CB-CB 4.29Å; E60-C73 PolarHBondContact N-O 3Å; E60-C73 PolarHBondContact O-N 3.17Å; C73-T81 WeakPolarHBondContact CA-O 3.44Å; C73-I109 HydrophobicContact CB-CB 4.44Å; C73-I109 HydrophobicContact CB-CD1 4.1Å; C73-I109 HydrophobicContact CB-CG1 4.13Å; C73-I109 HydrophobicContact CB-CG2 3.53Å
74V94.2Very high87.6Confident1 Ų134.6 Ų34.61%0.00617%0.167CC..EExtended strand (participates in β ladder)trans-111.9128.6179.7-171.90000108.1L34 L50 I56 I59 T81 L83L34-V74 HydrophobicContact CD1-CG1 4.48Å; L34-V74 HydrophobicContact CD1-CG2 3.98Å; L34-V74 HydrophobicContact CD2-CG2 3.96Å; L50-V74 HydrophobicContact CD1-CG1 3.98Å; I56-V74 HydrophobicContact CB-CG1 4.27Å; I56-V74 HydrophobicContact CD1-CG1 4.13Å; I56-V74 HydrophobicContact CG1-CG1 3.76Å; I56-V74 HydrophobicContact CG2-CG1 3.64Å; I59-V74 HydrophobicContact CG1-CG1 4.3Å; I59-V74 HydrophobicContact CG1-CG2 4.36Å; I59-V74 HydrophobicContact CG2-CG2 4.4Å; V74-T81 HydrophobicContact CB-CG2 3.77Å; V74-T81 PolarHBondContact N-O 2.75Å; V74-T81 PolarHBondContact O-N 3.34Å; V74-L83 HydrophobicContact CG2-CD1 4.5Å
75F93.6Very high88.1Confident4 Ų433.9 Ų33.92%0.01816%0.163CC..EExtended strand (participates in β ladder)trans-139.9155179.364.7-88.5000112H57 N58 F79 V80 T104 C107H57-F75 PolarHBondContact N-O 3.06Å; N58-F75 HydrophobicContact CB-CD1 4.44Å; N58-F75 HydrophobicContact CB-CE1 3.71Å; N58-F75 HydrophobicContact CB-CE2 3.81Å; N58-F75 HydrophobicContact CB-CZ 3.37Å; N58-F75 PolarHBondContact N-O 2.98Å; N58-F75 PolarHBondContact O-N 3.2Å; F75-F79 WeakPolarHBondContact CA-O 3.36Å; F75-V80 HydrophobicContact CB-CG1 4.44Å; F75-V80 HydrophobicContact CB-CG2 4.05Å; F75-T104 HydrophobicContact CB-CG2 4.31Å; F75-T104 HydrophobicContact CD2-CG2 3.9Å; F75-T104 HydrophobicContact CG-CG2 4.3Å; F75-C107 HydrophobicContact CD1-CB 3.5Å; F75-C107 HydrophobicContact CE1-CB 3.72Å; F75-C107 HydrophobicContact CG-CB 4.07Å; F75-C107 HydrophobicContact CZ-CB 4.46Å
76G89.7Confident88.9Confident0 Ų031 Ų310%014%0.139CC..EExtended strand (participates in β ladder)trans175.1144.7-18000000112.8I55 R78 F79I55-G76 CarbonylContact O-C 3.59Å; I55-G76 WeakPolarHBondContact O-CA 3.41Å; G76-R78 PolarHBondContact O-N 3.43Å; G76-F79 PolarHBondContact N-O 2.86Å; G76-F79 WeakPolarHBondContact O-CB 3.19Å; G76-F79 PolarHBondContact O-N 3.22Å
77N86.8Confident89.6Confident47 Ų4728 Ų2825%0.25113%0.129SC..THydrogen-bonded Turntrans46.5-121.3-164.7-65.7-28.3000110.7H57 N103 T104H57-N77 PolarHBondContact CE1-N 2.69Å; H57-N77 PolarHBondContact CE1-OD1 2.94Å; H57-N77 PolarHBondContact ND1-N 2.94Å; H57-N77 PolarHBondContact NE2-OD1 3.45Å; N77-N103 CarbonylContact O-C 3.59Å; N77-N103 VanDerWaalsContact O-CA 3.32Å; N77-N103 WeakPolarHBondContact O-CA 3.31Å; N77-T104 PolarHBondContact O-N 3Å
78R91.1Very high90.3Very high139 Ų13930.4 Ų30.453%0.52515%0.149SC..THydrogen-bonded Turntrans-99.215.5-179.2-59.5-174.8-174.4172.7-1.4113.3G76 Y99 H100 C101G76-R78 PolarHBondContact O-N 3.43Å; R78-Y99 CarbonylContact O-C 3.57Å; R78-Y99 WeakPolarHBondContact O-CA 3.13Å; R78-H100 WeakPolarHBondContact CB-O 3.41Å; R78-H100 PolarHBondContact O-N 3.45Å; R78-C101 PolarHBondContact NE-O 3.1Å
79F92.5Very high90.4Very high4 Ų428 Ų282%0.01814%0.14CC..EExtended strand (participates in β ladder)trans-118.3137.9-171.4-179.1-106.2000110.9L50 V54 F75 G76 T81 E97 Y99L50-F79 HydrophobicContact CD1-CE1 4.49Å; L50-F79 HydrophobicContact CD2-CE1 4.19Å; V54-F79 HydrophobicContact CB-CD1 4.18Å; V54-F79 HydrophobicContact CG1-CB 4.32Å; V54-F79 HydrophobicContact CG1-CD1 3.53Å; V54-F79 HydrophobicContact CG1-CE1 4.22Å; V54-F79 HydrophobicContact CG1-CG 4.24Å; V54-F79 HydrophobicContact CG2-CB 3.89Å; V54-F79 HydrophobicContact CG2-CD1 3.5Å; V54-F79 HydrophobicContact CG2-CD2 4.27Å; V54-F79 HydrophobicContact CG2-CE1 4.02Å; V54-F79 HydrophobicContact CG2-CG 3.61Å; F75-F79 WeakPolarHBondContact CA-O 3.36Å; G76-F79 PolarHBondContact N-O 2.86Å; G76-F79 WeakPolarHBondContact O-CB 3.19Å; G76-F79 PolarHBondContact O-N 3.22Å; F79-T81 HydrophobicContact CE1-CG2 3.66Å; F79-T81 HydrophobicContact CZ-CG2 4.21Å; F79-E97 HydrophobicContact CE2-CB 4.02Å; F79-E97 HydrophobicContact CE2-CG 4.23Å; F79-E97 HydrophobicContact CZ-CB 4.26Å; F79-E97 HydrophobicContact CZ-CG 4Å; F79-E97 WeakPolarHBondContact CZ-OE1 3.24Å; F79-Y99 HydrophobicContact CB-CE1 4.34Å; F79-Y99 HydrophobicContact CD2-CD1 4.11Å; F79-Y99 HydrophobicContact CD2-CD2 4.15Å; F79-Y99 AromaticContact CD2-CE1 3.52Å; F79-Y99 HydrophobicContact CD2-CE1 3.52Å; F79-Y99 AromaticContact CD2-CE2 3.55Å; F79-Y99 HydrophobicContact CD2-CE2 3.55Å; F79-Y99 HydrophobicContact CD2-CG 4.39Å; F79-Y99 AromaticContact CD2-CZ 3.18Å; F79-Y99 WeakPolarHBondContact CD2-OH 2.91Å; F79-Y99 HydrophobicContact CE2-CD2 4.39Å; F79-Y99 HydrophobicContact CE2-CE1 4.26Å; F79-Y99 AromaticContact CE2-CE2 3.54Å; F79-Y99 HydrophobicContact CE2-CE2 3.54Å; F79-Y99 AromaticContact CE2-CZ 3.44Å; F79-Y99 VanDerWaalsContact CE2-CZ 3.44Å; F79-Y99 WeakPolarHBondContact CE2-OH 3.44Å; F79-Y99 HydrophobicContact CG-CE1 4.33Å
80V93Very high90.3Very high0 Ų029.7 Ų29.70%015%0.152CC..EExtended strand (participates in β ladder)trans-133.3135.7174.4-176.60000108.1F75 E97 D98 T104 V118 T120F75-V80 HydrophobicContact CB-CG1 4.44Å; F75-V80 HydrophobicContact CB-CG2 4.05Å; V80-E97 CarbonylContact O-C 3.58Å; V80-E97 WeakPolarHBondContact O-CA 2.84Å; V80-D98 PolarHBondContact N-O 3.11Å; V80-D98 PolarHBondContact O-N 2.82Å; V80-T104 HydrophobicContact CG2-CG2 4.03Å; V80-V118 HydrophobicContact CG1-CG1 4.26Å; V80-T120 HydrophobicContact CG1-CG2 4.35Å; V80-T120 HydrophobicContact CG2-CG2 4.28Å
81T94.1Very high90.1Very high0 Ų033.3 Ų33.30%017%0.173CC..EExtended strand (participates in β ladder)trans-139.3152.2173.8-1770000111L50 C73 V74 F79 L94 F96L50-T81 HydrophobicContact CD2-CG2 3.91Å; C73-T81 WeakPolarHBondContact CA-O 3.44Å; V74-T81 HydrophobicContact CB-CG2 3.77Å; V74-T81 PolarHBondContact N-O 2.75Å; V74-T81 PolarHBondContact O-N 3.34Å; F79-T81 HydrophobicContact CE1-CG2 3.66Å; F79-T81 HydrophobicContact CZ-CG2 4.21Å; T81-L94 VanDerWaalsContact OG1-CD1 3.26Å; T81-L94 WeakPolarHBondContact OG1-CD1 3.45Å; T81-F96 CarbonylContact C-O 3.59Å; T81-F96 WeakPolarHBondContact CA-O 3.44Å; T81-F96 WeakPolarHBondContact CB-O 3.42Å; T81-F96 PolarHBondContact OG1-O 2.83Å
82V93.5Very high90Very high0 Ų034.6 Ų34.60%018%0.179CC..EExtended strand (participates in β ladder)trans-120125.1169.2-173.40000108.7L72 I95 F96 I109 L116 V118L72-V82 WeakPolarHBondContact O-CA 3.04Å; V82-I95 HydrophobicContact CB-CB 4.47Å; V82-I95 HydrophobicContact CG1-CB 4.49Å; V82-I95 HydrophobicContact CG1-CD1 4.29Å; V82-I95 WeakPolarHBondContact O-CB 3.14Å; V82-I95 PolarHBondContact O-N 3.13Å; V82-F96 HydrophobicContact CB-CB 4.21Å; V82-F96 HydrophobicContact CG2-CB 4.41Å; V82-F96 HydrophobicContact CG2-CD1 4.34Å; V82-F96 PolarHBondContact N-O 2.89Å; V82-F96 PolarHBondContact O-N 3.02Å; V82-I109 HydrophobicContact CG2-CG2 4.23Å; V82-L116 HydrophobicContact CG1-CD2 4.11Å; V82-V118 HydrophobicContact CG2-CG1 4.49Å; V82-V118 HydrophobicContact CG2-CG2 3.79Å
83L93Very high89.8Confident0 Ų037.3 Ų37.30%020%0.198CC..EExtended strand (participates in β ladder)trans-113.7148.9176.6-57.5172.7000109.8L34 Y48 L71 L72 V74 L92 S93 L94L34-L83 HydrophobicContact CD2-CD1 3.56Å; Y48-L83 HydrophobicContact CD1-CD1 3.91Å; Y48-L83 HydrophobicContact CD1-CD2 4.35Å; Y48-L83 HydrophobicContact CE1-CD1 4.26Å; Y48-L83 HydrophobicContact CE1-CD2 3.89Å; Y48-L83 HydrophobicContact CE2-CD2 4.24Å; Y48-L83 HydrophobicContact CG-CD1 4.16Å; L71-L83 WeakPolarHBondContact CA-O 3.44Å; L72-L83 HydrophobicContact CB-CB 4.41Å; L72-L83 PolarHBondContact N-O 3.16Å; L72-L83 PolarHBondContact O-N 2.75Å; V74-L83 HydrophobicContact CG2-CD1 4.5Å; L83-L92 HydrophobicContact CB-CD2 4.21Å; L83-S93 CarbonylContact C-O 3.51Å; L83-S93 WeakPolarHBondContact CA-O 3.36Å; L83-L94 HydrophobicContact CD2-CB 4.18Å; L83-L94 HydrophobicContact CD2-CD1 3.67Å
84E92Very high89.7Confident34 Ų3441.1 Ų41.116%0.15922%0.218CC..EExtended strand (participates in β ladder)trans-101.1126.9167.3-166.1168.7-164.600109R67 S69 L71 L92 S93 I95R67-E84 WeakPolarHBondContact CD-OE1 3.34Å; R67-E84 IonicContact NH1-OE1 3.98Å; R67-E84 IonicContact NH1-OE2 3.91Å; S69-E84 WeakPolarHBondContact CB-OE1 3.13Å; S69-E84 PolarHBondContact OG-OE1 3.38Å; L71-E84 HydrophobicContact CD2-CB 4.2Å; L71-E84 HydrophobicContact CD2-CG 4.08Å; E84-L92 WeakPolarHBondContact O-CA 3.42Å; E84-S93 WeakPolarHBondContact CB-OG 3.02Å; E84-S93 PolarHBondContact N-O 3.24Å; E84-S93 PolarHBondContact O-N 3.17Å; E84-I95 HydrophobicContact CB-CD1 3.98Å; E84-I95 HydrophobicContact CB-CG1 4.19Å
85F92.5Very high89.4Confident2 Ų243.3 Ų43.31%0.00923%0.229CC..EExtended strand (participates in β ladder)trans-103.1111.7170177.9-120.4000109.4I21 L25 I36 S69 H70 L72 L87 L92I21-F85 HydrophobicContact CD1-CD1 3.98Å; I21-F85 HydrophobicContact CD1-CE1 4.32Å; L25-F85 HydrophobicContact CD1-CE1 4.17Å; I36-F85 HydrophobicContact CD1-CB 4.19Å; I36-F85 HydrophobicContact CD1-CD1 3.94Å; I36-F85 HydrophobicContact CD1-CD2 3.31Å; I36-F85 HydrophobicContact CD1-CE1 4.12Å; I36-F85 HydrophobicContact CD1-CE2 3.52Å; I36-F85 HydrophobicContact CD1-CG 3.53Å; I36-F85 HydrophobicContact CD1-CZ 3.93Å; I36-F85 HydrophobicContact CG2-CE1 4.45Å; I36-F85 HydrophobicContact CG2-CZ 4.15Å; S69-F85 CarbonylContact C-O 3.59Å; S69-F85 VanDerWaalsContact CA-O 3.22Å; S69-F85 WeakPolarHBondContact CA-O 3.38Å; S69-F85 VanDerWaalsContact CB-O 3.3Å; S69-F85 WeakPolarHBondContact CB-O 3.38Å; H70-F85 HydrophobicContact CB-CB 4.41Å; H70-F85 PolarHBondContact N-O 3.19Å; H70-F85 PolarHBondContact O-N 3.09Å; L72-F85 HydrophobicContact CD1-CB 4.08Å; L72-F85 HydrophobicContact CG-CB 4.33Å; F85-L87 HydrophobicContact CD1-CD2 4.32Å; F85-L87 HydrophobicContact CE1-CD2 3.84Å; F85-L92 HydrophobicContact CB-CD2 3.73Å; F85-L92 HydrophobicContact CD2-CD2 4.03Å; F85-L92 HydrophobicContact CD2-CG 4.2Å; F85-L92 HydrophobicContact CG-CD2 4.3Å
86D88.7Confident89.2Confident50 Ų5044.4 Ų44.427%0.26723%0.234SC..EExtended strand (participates in β ladder)trans-85.5122174.7170.320.4000110L88 S89 S90 D91D86-L88 PolarHBondContact O-N 3.25Å; D86-L88 PolarHBondContact OD1-N 2.94Å; D86-S89 VanDerWaalsContact CB-OG 3.3Å; D86-S89 WeakPolarHBondContact CB-OG 3.27Å; D86-S89 VanDerWaalsContact OD2-CB 3.31Å; D86-S89 WeakPolarHBondContact OD2-CB 2.97Å; D86-S89 PolarHBondContact OD2-N 2.83Å; D86-S89 PolarHBondContact OD2-OG 3.01Å; D86-S90 VanDerWaalsContact O-CA 3.3Å; D86-S90 WeakPolarHBondContact O-CA 3Å; D86-S90 PolarHBondContact O-N 3.48Å; D86-D91 PolarHBondContact N-O 2.85Å
87L83.3Confident89.2Confident71 Ų7146.8 Ų46.837%0.37225%0.245SC..THydrogen-bonded Turntrans-65.6-25.4-178.9-71.4168.4000112.9L25 F85L25-L87 HydrophobicContact CD1-CD2 3.85Å; F85-L87 HydrophobicContact CD1-CD2 4.32Å; F85-L87 HydrophobicContact CE1-CD2 3.84Å
88L82.7Confident89.3Confident146 Ų14646.1 Ų46.176%0.76424%0.242SC*.THydrogen-bonded Turntrans-83.8-51.8-177-68.3171.9000112D86 S90D86-L88 PolarHBondContact O-N 3.25Å; D86-L88 PolarHBondContact OD1-N 2.94Å; L88-S90 VanDerWaalsContact C-N 3.31Å
89S83.2Confident89.2Confident56 Ų5643.7 Ų43.739%0.39223%0.233SC..THydrogen-bonded Turntrans-75.3-21.4177.256.30000113D86 D91D86-S89 VanDerWaalsContact CB-OG 3.3Å; D86-S89 WeakPolarHBondContact CB-OG 3.27Å; D86-S89 VanDerWaalsContact OD2-CB 3.31Å; D86-S89 WeakPolarHBondContact OD2-CB 2.97Å; D86-S89 PolarHBondContact OD2-N 2.83Å; D86-S89 PolarHBondContact OD2-OG 3.01Å; S89-D91 PolarHBondContact O-N 2.86Å; S89-D91 PolarHBondContact OG-N 3.08Å
90S83.9Confident88.9Confident39 Ų3944.6 Ų44.627%0.27324%0.237SC..  trans58.522.7-167.9-57.90000113.4C46 D86 L88C46-S90 WeakPolarHBondContact CB-O 3.44Å; C46-S90 PolarHBondContact SG-O 2.87Å; D86-S90 VanDerWaalsContact O-CA 3.3Å; D86-S90 WeakPolarHBondContact O-CA 3Å; D86-S90 PolarHBondContact O-N 3.48Å; L88-S90 VanDerWaalsContact C-N 3.31Å
91D85.2Confident88.5Confident107 Ų10749.6 Ų49.657%0.57227%0.271SS*.  trans-101.2157.1179.5-75.6-31.8000112.2D86 S89D86-D91 PolarHBondContact N-O 2.85Å; S89-D91 PolarHBondContact O-N 2.86Å; S89-D91 PolarHBondContact OG-N 3.08Å
92L89Confident88.2Confident26 Ų2650.6 Ų50.614%0.13628%0.277CS..EExtended strand (participates in β ladder)trans-109.7123.1175.9-77.4165.5000109.9L34 I36 Y48 L72 L83 E84 F85L34-L92 HydrophobicContact CD2-CD1 4.11Å; I36-L92 HydrophobicContact CD1-CD1 4.17Å; I36-L92 HydrophobicContact CD1-CD2 4.08Å; I36-L92 HydrophobicContact CD1-CG 4.29Å; Y48-L92 HydrophobicContact CD2-CB 3.89Å; Y48-L92 HydrophobicContact CG-CB 4.44Å; Y48-L92 HydrophobicContact CG-CD1 4.48Å; L72-L92 HydrophobicContact CD1-CD2 3.61Å; L83-L92 HydrophobicContact CB-CD2 4.21Å; E84-L92 WeakPolarHBondContact O-CA 3.42Å; F85-L92 HydrophobicContact CB-CD2 3.73Å; F85-L92 HydrophobicContact CD2-CD2 4.03Å; F85-L92 HydrophobicContact CD2-CG 4.2Å; F85-L92 HydrophobicContact CG-CD2 4.3Å
93S89.9Confident88.1Confident57 Ų5753.9 Ų53.940%0.39929%0.294SS..EExtended strand (participates in β ladder)trans-112.1149.2174.777.80000111.1L83 E84L83-S93 CarbonylContact C-O 3.51Å; L83-S93 WeakPolarHBondContact CA-O 3.36Å; E84-S93 WeakPolarHBondContact CB-OG 3.02Å; E84-S93 PolarHBondContact N-O 3.24Å; E84-S93 PolarHBondContact O-N 3.17Å
94L91.6Very high88Confident80 Ų8054 Ų5442%0.41930%0.295SS..EExtended strand (participates in β ladder)trans-89.2125.6-179.6177.964.5000110.9T81 L83 E97T81-L94 VanDerWaalsContact OG1-CD1 3.26Å; T81-L94 WeakPolarHBondContact OG1-CD1 3.45Å; L83-L94 HydrophobicContact CD2-CB 4.18Å; L83-L94 HydrophobicContact CD2-CD1 3.67Å; L94-E97 HydrophobicContact CD1-CG 3.59Å; L94-E97 HydrophobicContact CD2-CG 3.89Å; L94-E97 HydrophobicContact CG-CG 4.27Å
95I88.7Confident88Confident48 Ų4853.5 Ų53.525%0.24629%0.294CS..EExtended strand (participates in β ladder)trans-98.1-47.3172.6-57.7-177.5000110.7L71 V82 E84 L116 W134L71-I95 HydrophobicContact CD2-CD1 3.42Å; L71-I95 VanDerWaalsContact CD2-CD1 3.42Å; V82-I95 HydrophobicContact CB-CB 4.47Å; V82-I95 HydrophobicContact CG1-CB 4.49Å; V82-I95 HydrophobicContact CG1-CD1 4.29Å; V82-I95 WeakPolarHBondContact O-CB 3.14Å; V82-I95 PolarHBondContact O-N 3.13Å; E84-I95 HydrophobicContact CB-CD1 3.98Å; E84-I95 HydrophobicContact CB-CG1 4.19Å; I95-L116 HydrophobicContact CG2-CD2 4.3Å; I95-W134 HydrophobicContact CD1-CH2 4.08Å; I95-W134 HydrophobicContact CD1-CZ3 4.33Å
96F88.3Confident88Confident27 Ų2754.9 Ų54.912%0.11830%0.3CS..EExtended strand (participates in β ladder)trans-151.8143.3-168.1179-105.9000112.2T81 V82 D98 V118 I130 L132T81-F96 CarbonylContact C-O 3.59Å; T81-F96 WeakPolarHBondContact CA-O 3.44Å; T81-F96 WeakPolarHBondContact CB-O 3.42Å; T81-F96 PolarHBondContact OG1-O 2.83Å; V82-F96 HydrophobicContact CB-CB 4.21Å; V82-F96 HydrophobicContact CG2-CB 4.41Å; V82-F96 HydrophobicContact CG2-CD1 4.34Å; V82-F96 PolarHBondContact N-O 2.89Å; V82-F96 PolarHBondContact O-N 3.02Å; F96-D98 HydrophobicContact CE1-CB 3.62Å; F96-D98 HydrophobicContact CZ-CB 3.58Å; F96-V118 HydrophobicContact CD1-CG2 4.48Å; F96-I130 HydrophobicContact CE1-CD1 3.96Å; F96-I130 HydrophobicContact CE2-CG2 4.24Å; F96-I130 HydrophobicContact CZ-CD1 3.76Å; F96-I130 HydrophobicContact CZ-CG2 3.85Å; F96-L132 HydrophobicContact CB-CD1 3.81Å; F96-L132 HydrophobicContact CD1-CD1 4.37Å; F96-L132 HydrophobicContact CD2-CD1 3.8Å; F96-L132 HydrophobicContact CD2-CD2 3.75Å; F96-L132 HydrophobicContact CD2-CG 4.4Å; F96-L132 HydrophobicContact CE2-CD1 4.47Å; F96-L132 HydrophobicContact CE2-CD2 3.93Å; F96-L132 HydrophobicContact CG-CD1 3.73Å
97E90.6Very high88.2Confident49 Ų4952.5 Ų52.523%0.22929%0.287CS..EExtended strand (participates in β ladder)trans-135.9140.8167.8-60.1-168143.200109.8R51 F79 V80 L94R51-E97 IonicContact CZ-OE2 3.45Å; R51-E97 VanDerWaalsContact CZ-OE2 3.31Å; R51-E97 IonicContact NE-OE2 3.68Å; R51-E97 PolarHBondContact NE-OE2 2.78Å; R51-E97 VanDerWaalsContact NE-OE2 3.11Å; R51-E97 IonicContact NH2-OE2 3.31Å; R51-E97 PolarHBondContact NH2-OE2 3.11Å; F79-E97 HydrophobicContact CE2-CB 4.02Å; F79-E97 HydrophobicContact CE2-CG 4.23Å; F79-E97 HydrophobicContact CZ-CB 4.26Å; F79-E97 HydrophobicContact CZ-CG 4Å; F79-E97 WeakPolarHBondContact CZ-OE1 3.24Å; V80-E97 CarbonylContact O-C 3.58Å; V80-E97 WeakPolarHBondContact O-CA 2.84Å; L94-E97 HydrophobicContact CD1-CG 3.59Å; L94-E97 HydrophobicContact CD2-CG 3.89Å; L94-E97 HydrophobicContact CG-CG 4.27Å
98D89.3Confident88.6Confident34 Ų3450.8 Ų50.818%0.18228%0.276CS..EExtended strand (participates in β ladder)trans-139.9153.5172.9-161.77.6000111.7V80 F96 H100 K128 I130V80-D98 PolarHBondContact N-O 3.11Å; V80-D98 PolarHBondContact O-N 2.82Å; F96-D98 HydrophobicContact CE1-CB 3.62Å; F96-D98 HydrophobicContact CZ-CB 3.58Å; D98-H100 IonicContact OD2-CD2 2.82Å; D98-H100 IonicContact OD2-NE2 2.69Å; D98-H100 PolarHBondContact OD2-NE2 3.39Å; D98-K128 IonicContact OD1-NZ 3.43Å; D98-K128 IonicContact OD2-NZ 3.25Å; D98-K128 PolarHBondContact OD2-NZ 3.46Å; D98-I130 VanDerWaalsContact OD2-CD1 3.24Å; D98-I130 WeakPolarHBondContact OD2-CD1 3.47Å
99Y88.5Confident88.9Confident87 Ų8743.9 Ų43.934%0.34124%0.24SC..EExtended strand (participates in β ladder)trans-123.5120.2179.4-79.2-88.3000110.5R51 F53 R78 F79R51-Y99 WeakPolarHBondContact CD-OH 2.98Å; R51-Y99 PolarHBondContact NE-OH 3.37Å; F53-Y99 HydrophobicContact CD2-CE1 4.42Å; F53-Y99 AromaticContact CE2-CE1 3.33Å; F53-Y99 HydrophobicContact CE2-CE1 3.33Å; F53-Y99 AromaticContact CE2-CZ 3.68Å; F53-Y99 WeakPolarHBondContact CE2-OH 3.45Å; F53-Y99 AromaticContact CZ-CE1 3.62Å; F53-Y99 HydrophobicContact CZ-CE1 3.62Å; F53-Y99 AromaticContact CZ-CZ 3.69Å; F53-Y99 WeakPolarHBondContact CZ-OH 3.18Å; R78-Y99 CarbonylContact O-C 3.57Å; R78-Y99 WeakPolarHBondContact O-CA 3.13Å; F79-Y99 HydrophobicContact CB-CE1 4.34Å; F79-Y99 HydrophobicContact CD2-CD1 4.11Å; F79-Y99 HydrophobicContact CD2-CD2 4.15Å; F79-Y99 AromaticContact CD2-CE1 3.52Å; F79-Y99 HydrophobicContact CD2-CE1 3.52Å; F79-Y99 AromaticContact CD2-CE2 3.55Å; F79-Y99 HydrophobicContact CD2-CE2 3.55Å; F79-Y99 HydrophobicContact CD2-CG 4.39Å; F79-Y99 AromaticContact CD2-CZ 3.18Å; F79-Y99 WeakPolarHBondContact CD2-OH 2.91Å; F79-Y99 HydrophobicContact CE2-CD2 4.39Å; F79-Y99 HydrophobicContact CE2-CE1 4.26Å; F79-Y99 AromaticContact CE2-CE2 3.54Å; F79-Y99 HydrophobicContact CE2-CE2 3.54Å; F79-Y99 AromaticContact CE2-CZ 3.44Å; F79-Y99 VanDerWaalsContact CE2-CZ 3.44Å; F79-Y99 WeakPolarHBondContact CE2-OH 3.44Å; F79-Y99 HydrophobicContact CG-CE1 4.33Å
100H85.9Confident89Confident23 Ų2343.1 Ų43.111%0.10623%0.232CC..  trans-94.3160.7178.4-66.8-178.3000111.5R78 D98 D102 T104 T120R78-H100 WeakPolarHBondContact CB-O 3.41Å; R78-H100 PolarHBondContact O-N 3.45Å; D98-H100 IonicContact OD2-CD2 2.82Å; D98-H100 IonicContact OD2-NE2 2.69Å; D98-H100 PolarHBondContact OD2-NE2 3.39Å; H100-D102 WeakPolarHBondContact CB-O 3.34Å; H100-T104 PolarHBondContact ND1-OG1 2.99Å; H100-T120 PolarHBondContact CE1-OG1 3.3Å; H100-T120 VanDerWaalsContact CE1-OG1 3.26Å
101C84.4Confident88.8Confident106 Ų10643.5 Ų43.572%0.71623%0.234SC*.SBendtrans-80.7-21.7170.650.60000112.5R78R78-C101 PolarHBondContact NE-O 3.1Å
102D88.7Confident88.3Confident20 Ų2041.9 Ų41.911%0.10723%0.226CC..SBendtrans-122.3160.5-178.5-170.824.5000111.5H100 T104 T122 S123 H124H100-D102 WeakPolarHBondContact CB-O 3.34Å; D102-T104 PolarHBondContact O-N 3.14Å; D102-T122 HydrophobicContact CB-CG2 4.32Å; D102-T122 WeakPolarHBondContact OD2-CB 3.25Å; D102-S123 PolarHBondContact OD1-OG 3.38Å; D102-S123 PolarHBondContact OD2-N 3.21Å; D102-S123 PolarHBondContact OD2-OG 3.41Å; D102-H124 IonicContact OD1-CD2 3.24Å; D102-H124 PolarHBondContact OD1-CD2 2.82Å; D102-H124 VanDerWaalsContact OD1-CD2 3.31Å; D102-H124 IonicContact OD1-NE2 3.29Å; D102-H124 WeakPolarHBondContact OD2-CB 3.27Å; D102-H124 IonicContact OD2-CD2 3.98Å; D102-H124 PolarHBondContact OD2-CD2 3.48Å; D102-H124 IonicContact OD2-CG 3.55Å; D102-H124 PolarHBondContact OD2-N 3.49Å
103N90.3Very high87.4Confident69 Ų6947.8 Ų47.837%0.36925%0.253SS..  trans-67.6128.9179.4-71-18.2000110.9N77 T122 S123N77-N103 CarbonylContact O-C 3.59Å; N77-N103 VanDerWaalsContact O-CA 3.32Å; N77-N103 WeakPolarHBondContact O-CA 3.31Å; N103-T122 CarbonylContact O-C 3.6Å; N103-T122 WeakPolarHBondContact O-CA 3.27Å; N103-S123 PolarHBondContact O-N 2.96Å
104T91.8Very high86.6Confident3 Ų351 Ų512%0.01827%0.265CS..EExtended strand (participates in β ladder)trans-81.1123.4175.6-57.40000109.8F75 N77 V80 H100 D102 C107 L121F75-T104 HydrophobicContact CB-CG2 4.31Å; F75-T104 HydrophobicContact CD2-CG2 3.9Å; F75-T104 HydrophobicContact CG-CG2 4.3Å; N77-T104 PolarHBondContact O-N 3Å; V80-T104 HydrophobicContact CG2-CG2 4.03Å; H100-T104 PolarHBondContact ND1-OG1 2.99Å; D102-T104 PolarHBondContact O-N 3.14Å; T104-C107 WeakPolarHBondContact CG2-SG 3.26Å; T104-L121 CarbonylContact C-O 3.54Å; T104-L121 WeakPolarHBondContact CA-O 3.25Å
105V92.2Very high86.1Confident24 Ų2447.6 Ų47.615%0.14525%0.248CC..EExtended strand (participates in β ladder)trans-100.2-24.9-179.2-63.70000112.8L121 C155V105-L121 HydrophobicContact CG2-CB 4.19Å; V105-L121 HydrophobicContact CG2-CD2 3.86Å; V105-L121 HydrophobicContact CG2-CG 3.72Å; V105-L121 WeakPolarHBondContact CG2-O 3.44Å; V105-L121 PolarHBondContact N-O 3.36Å; V105-C155 WeakPolarHBondContact CG1-O 3.16Å
106Y92.7Very high85.9Confident30 Ų3045.4 Ų45.412%0.11824%0.237CC..EExtended strand (participates in β ladder)trans-155.2142.1176.5-165.1-94.1000110.7E60 K108 L121 G158 I160E60-Y106 PolarHBondContact OE2-OH 2.83Å; Y106-K108 HydrophobicContact CE1-CB 4.11Å; Y106-L121 PolarHBondContact N-O 2.78Å; Y106-L121 PolarHBondContact O-N 3.01Å; Y106-G158 WeakPolarHBondContact CD2-O 3.43Å; Y106-I160 HydrophobicContact CD1-CB 4.38Å; Y106-I160 HydrophobicContact CD1-CD1 3.8Å; Y106-I160 HydrophobicContact CD1-CG1 3.86Å; Y106-I160 HydrophobicContact CE1-CB 4.23Å; Y106-I160 HydrophobicContact CE1-CD1 4.31Å; Y106-I160 HydrophobicContact CE1-CG1 4.23Å
107C92.3Very high85.9Confident0 Ų047.1 Ų47.10%024%0.242CC..EExtended strand (participates in β ladder)trans-129.9148.1169-67.70000109.6F75 T104 Q119F75-C107 HydrophobicContact CD1-CB 3.5Å; F75-C107 HydrophobicContact CE1-CB 3.72Å; F75-C107 HydrophobicContact CG-CB 4.07Å; F75-C107 HydrophobicContact CZ-CB 4.46Å; T104-C107 WeakPolarHBondContact CG2-SG 3.26Å; C107-Q119 CarbonylContact C-O 3.54Å; C107-Q119 WeakPolarHBondContact CA-O 3.35Å
108K91Very high85.9Confident35 Ų3544.8 Ų44.815%0.15223%0.232CC..EExtended strand (participates in β ladder)trans-131138171.7-176.7150.5-171.1157.40110.7E60 Y106 Q119 I160E60-K108 VanDerWaalsContact OE1-CA 3.3Å; E60-K108 WeakPolarHBondContact OE1-CA 3.29Å; E60-K108 WeakPolarHBondContact OE1-CG 3.49Å; E60-K108 WeakPolarHBondContact OE2-CA 3.31Å; Y106-K108 HydrophobicContact CE1-CB 4.11Å; K108-Q119 HydrophobicContact CB-CB 4.34Å; K108-Q119 PolarHBondContact N-O 3.01Å; K108-Q119 PolarHBondContact O-N 3.41Å; K108-I160 HydrophobicContact CB-CB 4.24Å; K108-I160 HydrophobicContact CB-CD1 4.16Å; K108-I160 HydrophobicContact CD-CB 4.08Å; K108-I160 HydrophobicContact CD-CG2 4.35Å; K108-I160 WeakPolarHBondContact CD-O 3.39Å; K108-I160 PolarHBondContact NZ-O 3.5Å
109I89.5Confident86Confident1 Ų143.4 Ų43.41%0.00522%0.224CC..EExtended strand (participates in β ladder)trans-110.5136.3171.952.1168.4000110.6E60 M62 L71 C73 V82 L116 Y117 V118E60-I109 PolarHBondContact OE1-N 3.22Å; M62-I109 HydrophobicContact CB-CD1 3.7Å; M62-I109 HydrophobicContact CB-CG1 4.06Å; M62-I109 HydrophobicContact CE-CD1 4.31Å; L71-I109 HydrophobicContact CB-CD1 3.75Å; C73-I109 HydrophobicContact CB-CB 4.44Å; C73-I109 HydrophobicContact CB-CD1 4.1Å; C73-I109 HydrophobicContact CB-CG1 4.13Å; C73-I109 HydrophobicContact CB-CG2 3.53Å; V82-I109 HydrophobicContact CG2-CG2 4.23Å; I109-L116 HydrophobicContact CB-CD1 4.49Å; I109-Y117 WeakPolarHBondContact CA-O 3.41Å; I109-V118 HydrophobicContact CG2-CG1 4.37Å; I109-V118 HydrophobicContact CG2-CG2 4.23Å
110N85Confident86.1Confident41 Ų4139.3 Ų39.322%0.21921%0.208CC..EExtended strand (participates in β ladder)trans-133.6130.7171.2-73.9-33.2000108.1Y117 Q162N110-Y117 PolarHBondContact N-O 3.11Å; N110-Y117 PolarHBondContact O-N 3.03Å; N110-Q162 PolarHBondContact ND2-OE1 3.05Å
111S79Confident86.5Confident46 Ų4638.2 Ų38.232%0.32220%0.203SC..EExtended strand (participates in β ladder)trans-106.9142.5171.459.80000110.5M62M62-S111 WeakPolarHBondContact CE-OG 3.49Å
112N76.4Confident86.9Confident73 Ų7333.2 Ų33.239%0.3917%0.169SC..  trans-116.3-178.816074.29.1000108.7L114 S115 Y117N112-L114 PolarHBondContact O-N 2.88Å; N112-L114 VanDerWaalsContact O-N 3.11Å; N112-L114 PolarHBondContact OD1-N 2.96Å; N112-L114 VanDerWaalsContact OD1-N 3.09Å; N112-S115 PolarHBondContact N-O 2.79Å; N112-S115 WeakPolarHBondContact OD1-CA 3.46Å; N112-S115 PolarHBondContact OD1-N 3.15Å; N112-S115 PolarHBondContact OD1-O 3.35Å; N112-Y117 WeakPolarHBondContact ND2-CE2 3.49Å
113E68.9Low87Confident151 Ų15133.1 Ų33.171%0.70617%0.17SC*.SBendtrans-62.1-22.4-175-52.2-159.7127.600114.4K66K66-E113 VanDerWaalsContact NZ-CG 3.29Å; K66-E113 IonicContact NZ-OE1 2.71Å; K66-E113 PolarHBondContact NZ-OE1 3.41Å
114L73.6Confident87Confident124 Ų12435.7 Ų35.765%0.64918%0.18SC*.SBendtrans-116.5-18.7-170.1-65.8171.4000113.3N112 W134N112-L114 PolarHBondContact O-N 2.88Å; N112-L114 VanDerWaalsContact O-N 3.11Å; N112-L114 PolarHBondContact OD1-N 2.96Å; N112-L114 VanDerWaalsContact OD1-N 3.09Å; L114-W134 VanDerWaalsContact C-CD1 3.43Å; L114-W134 PolarHBondContact O-N 2.66Å; L114-W134 VanDerWaalsContact O-N 3.1Å
115S81.5Confident86.8Confident9 Ų935.5 Ų35.56%0.06318%0.179CC..EExtended strand (participates in β ladder)trans-153.6149.8-169.4-53.50000112.6N112 K131 L132N112-S115 PolarHBondContact N-O 2.79Å; N112-S115 WeakPolarHBondContact OD1-CA 3.46Å; N112-S115 PolarHBondContact OD1-N 3.15Å; N112-S115 PolarHBondContact OD1-O 3.35Å; S115-K131 WeakPolarHBondContact OG-CE 3.35Å; S115-L132 CarbonylContact C-O 3.43Å; S115-L132 WeakPolarHBondContact CA-O 3.36Å; S115-L132 WeakPolarHBondContact CB-O 3.44Å
116L84.6Confident86.7Confident2 Ų237.1 Ų37.11%0.0119%0.186CC..EExtended strand (participates in β ladder)trans-103128.4168.9174.166.8000108.8M62 L71 V82 I95 I109 V118 K131 L132 W134M62-L116 HydrophobicContact CE-CD1 4.46Å; L71-L116 HydrophobicContact CD1-CD1 3.87Å; V82-L116 HydrophobicContact CG1-CD2 4.11Å; I95-L116 HydrophobicContact CG2-CD2 4.3Å; I109-L116 HydrophobicContact CB-CD1 4.49Å; L116-V118 HydrophobicContact CG-CG2 4.38Å; L116-K131 WeakPolarHBondContact O-CA 3.07Å; L116-L132 HydrophobicContact CB-CB 4.28Å; L116-L132 HydrophobicContact CD2-CD1 4.02Å; L116-L132 HydrophobicContact CG-CD1 4.46Å; L116-L132 PolarHBondContact N-O 2.78Å; L116-L132 PolarHBondContact O-N 2.77Å; L116-W134 HydrophobicContact CB-CZ2 4.04Å
117Y87.8Confident86.6Confident62 Ų6235.9 Ų35.924%0.24318%0.181CC..EExtended strand (participates in β ladder)trans-106.3121.6175.4-61.7-91.7000109.5I109 N110 N112 V129 I130 K131I109-Y117 WeakPolarHBondContact CA-O 3.41Å; N110-Y117 PolarHBondContact N-O 3.11Å; N110-Y117 PolarHBondContact O-N 3.03Å; N112-Y117 WeakPolarHBondContact ND2-CE2 3.49Å; Y117-V129 HydrophobicContact CD1-CG1 4.22Å; Y117-I130 CarbonylContact C-O 3.56Å; Y117-I130 WeakPolarHBondContact CA-O 3.15Å; Y117-K131 HydrophobicContact CD1-CB 3.9Å; Y117-K131 HydrophobicContact CD1-CG 4.05Å; Y117-K131 HydrophobicContact CE1-CB 3.81Å; Y117-K131 HydrophobicContact CE1-CD 3.77Å; Y117-K131 HydrophobicContact CE1-CG 3.56Å
118V89.6Confident86.4Confident0 Ų037.6 Ų37.60%019%0.189CC..EExtended strand (participates in β ladder)trans-107.6110.7172.7-171.90000107.7V80 V82 F96 I109 L116 T120 I130 L132V80-V118 HydrophobicContact CG1-CG1 4.26Å; V82-V118 HydrophobicContact CG2-CG1 4.49Å; V82-V118 HydrophobicContact CG2-CG2 3.79Å; F96-V118 HydrophobicContact CD1-CG2 4.48Å; I109-V118 HydrophobicContact CG2-CG1 4.37Å; I109-V118 HydrophobicContact CG2-CG2 4.23Å; L116-V118 HydrophobicContact CG-CG2 4.38Å; V118-T120 HydrophobicContact CG1-CG2 4.04Å; V118-I130 HydrophobicContact CB-CB 4.29Å; V118-I130 PolarHBondContact N-O 3.08Å; V118-I130 PolarHBondContact O-N 3.21Å; V118-L132 HydrophobicContact CG2-CD1 4.27Å
119Q91.3Very high86.3Confident6 Ų637 Ų373%0.02819%0.188CC..EExtended strand (participates in β ladder)trans-100.4131.2177.7-58.8178.6-32.500108.7C107 K108 F127 K128 V129 I160C107-Q119 CarbonylContact C-O 3.54Å; C107-Q119 WeakPolarHBondContact CA-O 3.35Å; K108-Q119 HydrophobicContact CB-CB 4.34Å; K108-Q119 PolarHBondContact N-O 3.01Å; K108-Q119 PolarHBondContact O-N 3.41Å; Q119-F127 HydrophobicContact CB-CE2 4.1Å; Q119-F127 HydrophobicContact CB-CZ 4.29Å; Q119-F127 HydrophobicContact CG-CZ 4.39Å; Q119-K128 CarbonylContact C-O 3.54Å; Q119-K128 WeakPolarHBondContact CA-O 3.33Å; Q119-V129 HydrophobicContact CG-CG1 4.11Å; Q119-V129 HydrophobicContact CG-CG2 4.07Å; Q119-I160 HydrophobicContact CB-CD1 3.96Å; Q119-I160 VanDerWaalsContact OE1-CG2 3.26Å
120T92.4Very high86.2Confident0 Ų037 Ų370%019%0.188CC..EExtended strand (participates in β ladder)trans-132.2141.8-174.564.80000110V80 H100 V118 F127 K128V80-T120 HydrophobicContact CG1-CG2 4.35Å; V80-T120 HydrophobicContact CG2-CG2 4.28Å; H100-T120 PolarHBondContact CE1-OG1 3.3Å; H100-T120 VanDerWaalsContact CE1-OG1 3.26Å; V118-T120 HydrophobicContact CG1-CG2 4.04Å; T120-F127 CarbonylContact O-C 3.49Å; T120-F127 WeakPolarHBondContact O-CA 3.48Å; T120-K128 PolarHBondContact N-O 2.8Å; T120-K128 PolarHBondContact O-N 3.44Å; T120-K128 WeakPolarHBondContact OG1-CB 3.08Å; T120-K128 PolarHBondContact OG1-O 3.3Å
121L92.3Very high86.3Confident0 Ų038.4 Ų38.40%019%0.192CC..EExtended strand (participates in β ladder)trans-123.8129.5176.7179.567.2000108.7T104 V105 Y106 F127 L150 V180T104-L121 CarbonylContact C-O 3.54Å; T104-L121 WeakPolarHBondContact CA-O 3.25Å; V105-L121 HydrophobicContact CG2-CB 4.19Å; V105-L121 HydrophobicContact CG2-CD2 3.86Å; V105-L121 HydrophobicContact CG2-CG 3.72Å; V105-L121 WeakPolarHBondContact CG2-O 3.44Å; V105-L121 PolarHBondContact N-O 3.36Å; Y106-L121 PolarHBondContact N-O 2.78Å; Y106-L121 PolarHBondContact O-N 3.01Å; L121-F127 HydrophobicContact CD1-CB 4.48Å; L121-L150 HydrophobicContact CD1-CD1 3.94Å; L121-V180 HydrophobicContact CD1-CG1 4.15Å; L121-V180 HydrophobicContact CD2-CG1 4Å
122T93.3Very high86.6Confident2 Ų237.2 Ų37.21%0.01218%0.182CC..EExtended strand (participates in β ladder)trans-101.5164.9178.9640000112.6D102 N103 H124 G125 L126D102-T122 HydrophobicContact CB-CG2 4.32Å; D102-T122 WeakPolarHBondContact OD2-CB 3.25Å; N103-T122 CarbonylContact O-C 3.6Å; N103-T122 WeakPolarHBondContact O-CA 3.27Å; T122-H124 PolarHBondContact O-N 3.48Å; T122-G125 PolarHBondContact O-N 2.68Å; T122-L126 HydrophobicContact CG2-CB 4.21Å; T122-L126 PolarHBondContact N-O 2.98Å; T122-L126 WeakPolarHBondContact OG1-CA 3.42Å; T122-L126 WeakPolarHBondContact OG1-CB 3.34Å; T122-L126 PolarHBondContact OG1-N 2.97Å; T122-L126 PolarHBondContact OG1-O 2.84Å
123S91.9Very high86.7Confident17 Ų1735.8 Ų35.812%0.11918%0.178CC..THydrogen-bonded Turntrans-62-28.7-177.879.70000113.3D102 N103 A154 C155D102-S123 PolarHBondContact OD1-OG 3.38Å; D102-S123 PolarHBondContact OD2-N 3.21Å; D102-S123 PolarHBondContact OD2-OG 3.41Å; N103-S123 PolarHBondContact O-N 2.96Å; S123-A154 CarbonylContact O-C 3.56Å; S123-A154 WeakPolarHBondContact O-CA 3.21Å; S123-C155 PolarHBondContact O-N 2.96Å
124H90.5Very high86.9Confident123 Ų12330.2 Ų30.257%0.56915%0.15SC*.THydrogen-bonded Turntrans-95.115.1176.1-62.7-50.9000114D102 T122D102-H124 IonicContact OD1-CD2 3.24Å; D102-H124 PolarHBondContact OD1-CD2 2.82Å; D102-H124 VanDerWaalsContact OD1-CD2 3.31Å; D102-H124 IonicContact OD1-NE2 3.29Å; D102-H124 WeakPolarHBondContact OD2-CB 3.27Å; D102-H124 IonicContact OD2-CD2 3.98Å; D102-H124 PolarHBondContact OD2-CD2 3.48Å; D102-H124 IonicContact OD2-CG 3.55Å; D102-H124 PolarHBondContact OD2-N 3.49Å; T122-H124 PolarHBondContact O-N 3.48Å
125G87.4Confident86.2Confident0 Ų030.9 Ų30.90%015%0.154CC..  trans83.111.917200000115.4T122 F127 L150T122-G125 PolarHBondContact O-N 2.68Å; G125-F127 PolarHBondContact O-N 3.15Å; G125-L150 VanDerWaalsContact O-CB 3.23Å; G125-L150 WeakPolarHBondContact O-CB 3.36Å; G125-L150 VanDerWaalsContact O-CG 3.28Å; G125-L150 WeakPolarHBondContact O-CG 3.3Å; G125-L150 PolarHBondContact O-N 3.47Å
126L90Very high84.9Confident57 Ų5738.1 Ų38.130%0.29819%0.185SC..EExtended strand (participates in β ladder)trans-72.8116.6168.6-174.571.7000109.1T122T122-L126 HydrophobicContact CG2-CB 4.21Å; T122-L126 PolarHBondContact N-O 2.98Å; T122-L126 WeakPolarHBondContact OG1-CA 3.42Å; T122-L126 WeakPolarHBondContact OG1-CB 3.34Å; T122-L126 PolarHBondContact OG1-N 2.97Å; T122-L126 PolarHBondContact OG1-O 2.84Å
127F90.3Very high83.1Confident5 Ų545.3 Ų45.32%0.02222%0.224CC..EExtended strand (participates in β ladder)trans-100.3118.8171.2175.2-105000109.2Q119 T120 L121 G125 V129 S147 V148 L150 I160 T178 V180 I194Q119-F127 HydrophobicContact CB-CE2 4.1Å; Q119-F127 HydrophobicContact CB-CZ 4.29Å; Q119-F127 HydrophobicContact CG-CZ 4.39Å; T120-F127 CarbonylContact O-C 3.49Å; T120-F127 WeakPolarHBondContact O-CA 3.48Å; L121-F127 HydrophobicContact CD1-CB 4.48Å; G125-F127 PolarHBondContact O-N 3.15Å; F127-V129 HydrophobicContact CD1-CG2 4.2Å; F127-V129 HydrophobicContact CE1-CG2 3.34Å; F127-V129 HydrophobicContact CE2-CG2 4.49Å; F127-V129 HydrophobicContact CZ-CG2 3.52Å; F127-S147 CarbonylContact O-C 3.6Å; F127-S147 VanDerWaalsContact O-CA 3.25Å; F127-S147 WeakPolarHBondContact O-CA 3.06Å; F127-V148 PolarHBondContact N-O 2.86Å; F127-V148 PolarHBondContact O-N 2.92Å; F127-L150 HydrophobicContact CB-CD1 4.1Å; F127-L150 HydrophobicContact CB-CG 4.2Å; F127-I160 HydrophobicContact CD2-CD1 4.32Å; F127-I160 HydrophobicContact CE2-CD1 3.77Å; F127-I160 HydrophobicContact CE2-CG1 4.19Å; F127-I160 HydrophobicContact CE2-CG2 4.32Å; F127-T178 HydrophobicContact CZ-CG2 3.88Å; F127-V180 HydrophobicContact CD2-CG2 3.95Å; F127-V180 HydrophobicContact CE2-CG2 3.94Å; F127-V180 HydrophobicContact CG-CG2 4.41Å; F127-V180 HydrophobicContact CZ-CG2 4.4Å; F127-I194 HydrophobicContact CB-CD1 4.4Å; F127-I194 HydrophobicContact CD1-CD1 3.31Å; F127-I194 HydrophobicContact CD2-CD1 4.46Å; F127-I194 HydrophobicContact CE1-CD1 3.53Å; F127-I194 HydrophobicContact CG-CD1 3.81Å; F127-I194 HydrophobicContact CZ-CD1 4.22Å
128K89Confident81.1Confident36 Ų3651 Ų5116%0.15725%0.253CS..EExtended strand (participates in β ladder)trans-124.4129.8-176.3178.6-168-173.4-169.70109.9D98 Q119 T120 I130 V145 T146D98-K128 IonicContact OD1-NZ 3.43Å; D98-K128 IonicContact OD2-NZ 3.25Å; D98-K128 PolarHBondContact OD2-NZ 3.46Å; Q119-K128 CarbonylContact C-O 3.54Å; Q119-K128 WeakPolarHBondContact CA-O 3.33Å; T120-K128 PolarHBondContact N-O 2.8Å; T120-K128 PolarHBondContact O-N 3.44Å; T120-K128 WeakPolarHBondContact OG1-CB 3.08Å; T120-K128 PolarHBondContact OG1-O 3.3Å; K128-I130 HydrophobicContact CD-CD1 4.16Å; K128-I130 HydrophobicContact CD-CG1 4.19Å; K128-I130 HydrophobicContact CG-CG1 4.11Å; K128-V145 HydrophobicContact CD-CG1 4.08Å; K128-V145 HydrophobicContact CG-CG1 3.79Å; K128-T146 CarbonylContact C-O 3.5Å; K128-T146 VanDerWaalsContact CA-O 3.32Å; K128-T146 WeakPolarHBondContact CA-O 3.33Å
129V88.5Confident78.7Confident23 Ų2358.7 Ų58.714%0.13929%0.293CS..EExtended strand (participates in β ladder)trans-112121.2175.2-175.60000108.5Y117 Q119 F127 T146Y117-V129 HydrophobicContact CD1-CG1 4.22Å; Q119-V129 HydrophobicContact CG-CG1 4.11Å; Q119-V129 HydrophobicContact CG-CG2 4.07Å; F127-V129 HydrophobicContact CD1-CG2 4.2Å; F127-V129 HydrophobicContact CE1-CG2 3.34Å; F127-V129 HydrophobicContact CE2-CG2 4.49Å; F127-V129 HydrophobicContact CZ-CG2 3.52Å; V129-T146 WeakPolarHBondContact CB-OG1 3.4Å; V129-T146 PolarHBondContact N-O 3.11Å; V129-T146 PolarHBondContact O-N 2.81Å; V129-T146 PolarHBondContact O-OG1 3.44Å
130I87.5Confident76.4Confident1 Ų165.1 Ų65.11%0.00533%0.328CS..EExtended strand (participates in β ladder)trans-111.3122.1-179.3-53.1175.9000107.4F96 D98 Y117 V118 K128 L132 V143 D144 V145F96-I130 HydrophobicContact CE1-CD1 3.96Å; F96-I130 HydrophobicContact CE2-CG2 4.24Å; F96-I130 HydrophobicContact CZ-CD1 3.76Å; F96-I130 HydrophobicContact CZ-CG2 3.85Å; D98-I130 VanDerWaalsContact OD2-CD1 3.24Å; D98-I130 WeakPolarHBondContact OD2-CD1 3.47Å; Y117-I130 CarbonylContact C-O 3.56Å; Y117-I130 WeakPolarHBondContact CA-O 3.15Å; V118-I130 HydrophobicContact CB-CB 4.29Å; V118-I130 PolarHBondContact N-O 3.08Å; V118-I130 PolarHBondContact O-N 3.21Å; K128-I130 HydrophobicContact CD-CD1 4.16Å; K128-I130 HydrophobicContact CD-CG1 4.19Å; K128-I130 HydrophobicContact CG-CG1 4.11Å; I130-L132 HydrophobicContact CG2-CD2 4.27Å; I130-L132 HydrophobicContact CG2-CG 4.44Å; I130-V143 HydrophobicContact CG2-CG1 3.58Å; I130-D144 WeakPolarHBondContact CA-O 3.3Å; I130-V145 HydrophobicContact CG1-CG2 4.37Å; I130-V145 HydrophobicContact CG2-CG2 4.35Å
131K86.4Confident74.3Confident70 Ų7072.2 Ų72.230%0.30437%0.366SS..EExtended strand (participates in β ladder)trans-107.5125.3178.1176.3-168.7176.6-162.50109.5S115 L116 Y117 D144S115-K131 WeakPolarHBondContact OG-CE 3.35Å; L116-K131 WeakPolarHBondContact O-CA 3.07Å; Y117-K131 HydrophobicContact CD1-CB 3.9Å; Y117-K131 HydrophobicContact CD1-CG 4.05Å; Y117-K131 HydrophobicContact CE1-CB 3.81Å; Y117-K131 HydrophobicContact CE1-CD 3.77Å; Y117-K131 HydrophobicContact CE1-CG 3.56Å; K131-D144 HydrophobicContact CB-CB 4.18Å; K131-D144 HydrophobicContact CD-CB 4.43Å; K131-D144 PolarHBondContact N-O 3.21Å; K131-D144 IonicContact NZ-OD2 3.98Å; K131-D144 PolarHBondContact O-N 3.35Å; K131-D144 VanDerWaalsContact O-N 3.12Å
132L84.7Confident72.7Confident21 Ų2177.6 Ų77.611%0.1140%0.395CS..EExtended strand (participates in β ladder)trans-115123.3-180-58.4169.1000108.9F96 S115 L116 V118 I130 V143F96-L132 HydrophobicContact CB-CD1 3.81Å; F96-L132 HydrophobicContact CD1-CD1 4.37Å; F96-L132 HydrophobicContact CD2-CD1 3.8Å; F96-L132 HydrophobicContact CD2-CD2 3.75Å; F96-L132 HydrophobicContact CD2-CG 4.4Å; F96-L132 HydrophobicContact CE2-CD1 4.47Å; F96-L132 HydrophobicContact CE2-CD2 3.93Å; F96-L132 HydrophobicContact CG-CD1 3.73Å; S115-L132 CarbonylContact C-O 3.43Å; S115-L132 WeakPolarHBondContact CA-O 3.36Å; S115-L132 WeakPolarHBondContact CB-O 3.44Å; L116-L132 HydrophobicContact CB-CB 4.28Å; L116-L132 HydrophobicContact CD2-CD1 4.02Å; L116-L132 HydrophobicContact CG-CD1 4.46Å; L116-L132 PolarHBondContact N-O 2.78Å; L116-L132 PolarHBondContact O-N 2.77Å; V118-L132 HydrophobicContact CG2-CD1 4.27Å; I130-L132 HydrophobicContact CG2-CD2 4.27Å; I130-L132 HydrophobicContact CG2-CG 4.44Å; L132-V143 HydrophobicContact CD2-CB 4.41Å; L132-V143 HydrophobicContact CD2-CG1 4Å; L132-V143 HydrophobicContact CD2-CG2 3.78Å
133S79.9Confident71.7Confident43 Ų4380.8 Ų80.830%0.30141%0.414SS..EExtended strand (participates in β ladder)trans-83.3140.5175.859.90000112.2N135 N142S133-N135 VanDerWaalsContact C-N 3.31Å; S133-N135 PolarHBondContact O-N 3.29Å; S133-N142 VanDerWaalsContact OG-CB 3.28Å; S133-N142 WeakPolarHBondContact OG-CB 3.42Å
134W72.4Confident71Confident34 Ų3484.8 Ų84.813%0.12943%0.434CS..  trans-77.9-2.4179.6-68.4118.8000115.5L71 I95 L114 L116 F136L71-W134 HydrophobicContact CD1-CH2 4.33Å; L71-W134 HydrophobicContact CD1-CZ2 4.28Å; I95-W134 HydrophobicContact CD1-CH2 4.08Å; I95-W134 HydrophobicContact CD1-CZ3 4.33Å; L114-W134 VanDerWaalsContact C-CD1 3.43Å; L114-W134 PolarHBondContact O-N 2.66Å; L114-W134 VanDerWaalsContact O-N 3.1Å; L116-W134 HydrophobicContact CB-CZ2 4.04Å; W134-F136 HydrophobicContact CE3-CE2 4.08Å; W134-F136 HydrophobicContact CE3-CZ 4.37Å; W134-F136 WeakPolarHBondContact O-CD2 3.37Å; W134-F136 PolarHBondContact O-N 2.78Å
135N59.5Low70.7Confident137 Ų13782.4 Ų82.473%0.73343%0.428SS*.  trans-79105179.3-77.1-2.2000110.3S133 D137S133-N135 VanDerWaalsContact C-N 3.31Å; S133-N135 PolarHBondContact O-N 3.29Å; N135-D137 VanDerWaalsContact C-N 3.34Å
136F53.5Low70.5Confident161 Ų16185.5 Ų85.571%0.70645%0.447SS*.  trans-86.26.2-177.5-74.1-78.2000114.8W134W134-F136 HydrophobicContact CE3-CE2 4.08Å; W134-F136 HydrophobicContact CE3-CZ 4.37Å; W134-F136 WeakPolarHBondContact O-CD2 3.37Å; W134-F136 PolarHBondContact O-N 2.78Å
137D46.9Very low70.3Confident153 Ų15385.9 Ų85.982%0.81845%0.454SS*.  trans-92.2115.3-178-71-28.4000111.9N135N135-D137 VanDerWaalsContact C-N 3.34Å
138E46.2Very low70.2Confident183 Ų18385.9 Ų85.986%0.85546%0.455SS*.SBendtrans71.999.3161.2-56.8-171167.800119.4
139N39.6Very low70.1Confident160 Ų16088.5 Ų88.586%0.85647%0.471SS*.SBendtrans36.4112149.7-71.2-21.9000120
140N41.7Very low70Confident141 Ų14187.4 Ų87.475%0.75446%0.464SS*.SBendtrans100.3103162.7-67.7-9.6000118.1
141D49Very low69.9Low149 Ų14993.6 Ų93.680%0.79749%0.491SS*.  trans53.261.8138.9-59.9-16.1000120.6V143D141-V143 PolarHBondContact O-N 3.4Å
142N58.7Low69.7Low113 Ų11391.7 Ų91.760%0.60449%0.485SS*.  trans-9557.9165.5-75-25.9000112.7S133S133-N142 VanDerWaalsContact OG-CB 3.28Å; S133-N142 WeakPolarHBondContact OG-CB 3.42Å
143V71.8Confident69.5Low70 Ų7092.3 Ų92.342%0.42449%0.491SS..EExtended strand (participates in β ladder)trans-112.1100.8171.5-174.40000109.2I130 L132 D141 V145I130-V143 HydrophobicContact CG2-CG1 3.58Å; L132-V143 HydrophobicContact CD2-CB 4.41Å; L132-V143 HydrophobicContact CD2-CG1 4Å; L132-V143 HydrophobicContact CD2-CG2 3.78Å; D141-V143 PolarHBondContact O-N 3.4Å; V143-V145 HydrophobicContact CG1-CG2 4Å
144D78.7Confident69.9Low100 Ų10092 Ų9254%0.53549%0.492SS..EExtended strand (participates in β ladder)trans-86.5121.7174.7-73.1-30.6000109.4I130 K131I130-D144 WeakPolarHBondContact CA-O 3.3Å; K131-D144 HydrophobicContact CB-CB 4.18Å; K131-D144 HydrophobicContact CD-CB 4.43Å; K131-D144 PolarHBondContact N-O 3.21Å; K131-D144 IonicContact NZ-OD2 3.98Å; K131-D144 PolarHBondContact O-N 3.35Å; K131-D144 VanDerWaalsContact O-N 3.12Å
145V82.7Confident70.8Confident74 Ų7490.5 Ų90.545%0.44849%0.486SS..EExtended strand (participates in β ladder)trans-114.2125.1178.9179.40000110.1K128 I130 V143K128-V145 HydrophobicContact CD-CG1 4.08Å; K128-V145 HydrophobicContact CG-CG1 3.79Å; I130-V145 HydrophobicContact CG1-CG2 4.37Å; I130-V145 HydrophobicContact CG2-CG2 4.35Å; V143-V145 HydrophobicContact CG1-CG2 4Å
146T84.7Confident72.2Confident65 Ų6590.6 Ų90.640%0.39948%0.477SS..EExtended strand (participates in β ladder)trans-121.3139.3173.151.60000109.6K128 V129K128-T146 CarbonylContact C-O 3.5Å; K128-T146 VanDerWaalsContact CA-O 3.32Å; K128-T146 WeakPolarHBondContact CA-O 3.33Å; V129-T146 WeakPolarHBondContact CB-OG1 3.4Å; V129-T146 PolarHBondContact N-O 3.11Å; V129-T146 PolarHBondContact O-N 2.81Å; V129-T146 PolarHBondContact O-OG1 3.44Å
147S85.8Confident74.1Confident64 Ų6483.6 Ų83.645%0.44845%0.448SS..EExtended strand (participates in β ladder)trans-142.4136-176.964.40000113.2F127 V199F127-S147 CarbonylContact O-C 3.6Å; F127-S147 VanDerWaalsContact O-CA 3.25Å; F127-S147 WeakPolarHBondContact O-CA 3.06Å; S147-V199 WeakPolarHBondContact O-CG1 3.3Å
148V86.9Confident76.3Confident6 Ų676.3 Ų76.34%0.03641%0.409CS..EExtended strand (participates in β ladder)trans-122135.2178-173.70000109.1F127 L150 I194 V199 T203F127-V148 PolarHBondContact N-O 2.86Å; F127-V148 PolarHBondContact O-N 2.92Å; V148-L150 HydrophobicContact CG1-CD2 4.17Å; V148-I194 HydrophobicContact CG2-CG2 4.36Å; V148-V199 HydrophobicContact CG2-CB 4.18Å; V148-V199 HydrophobicContact CG2-CG1 3.38Å; V148-T203 HydrophobicContact CG1-CG2 4.12Å
149N86.9Confident78.5Confident90 Ų9068.4 Ų68.448%0.48137%0.372SS..EExtended strand (participates in β ladder)trans-93.8109173.4-168.3-0.8000111S202 T203N149-S202 WeakPolarHBondContact O-CA 3.48Å; N149-S202 WeakPolarHBondContact O-CB 3.47Å; N149-S202 PolarHBondContact O-OG 3.06Å; N149-T203 PolarHBondContact O-N 2.91Å
150L87.4Confident80.9Confident1 Ų160.8 Ų60.81%0.00533%0.331CS..BIsolated β-bridgetrans-80.2127.8179.4-51.8-179.9000109.8L121 G125 F127 V148 T152 V180 F192 I194 T203L121-L150 HydrophobicContact CD1-CD1 3.94Å; G125-L150 VanDerWaalsContact O-CB 3.23Å; G125-L150 WeakPolarHBondContact O-CB 3.36Å; G125-L150 VanDerWaalsContact O-CG 3.28Å; G125-L150 WeakPolarHBondContact O-CG 3.3Å; G125-L150 PolarHBondContact O-N 3.47Å; F127-L150 HydrophobicContact CB-CD1 4.1Å; F127-L150 HydrophobicContact CB-CG 4.2Å; V148-L150 HydrophobicContact CG1-CD2 4.17Å; L150-T152 VanDerWaalsContact C-N 3.33Å; L150-T152 PolarHBondContact O-N 3.44Å; L150-V180 HydrophobicContact CD1-CB 4.21Å; L150-V180 HydrophobicContact CD1-CG1 3.85Å; L150-F192 HydrophobicContact CB-CD1 4.13Å; L150-F192 HydrophobicContact CB-CD2 4.46Å; L150-F192 HydrophobicContact CB-CE1 3.91Å; L150-F192 HydrophobicContact CB-CE2 4.25Å; L150-F192 HydrophobicContact CB-CG 4.41Å; L150-F192 HydrophobicContact CB-CZ 3.99Å; L150-F192 HydrophobicContact CD1-CD2 4Å; L150-F192 HydrophobicContact CD1-CE2 4.38Å; L150-F192 HydrophobicContact CD1-CG 4.18Å; L150-F192 HydrophobicContact CD2-CB 4.19Å; L150-F192 HydrophobicContact CD2-CD1 4.03Å; L150-F192 HydrophobicContact CD2-CG 4.06Å; L150-F192 HydrophobicContact CG-CG 4.45Å; L150-I194 HydrophobicContact CD2-CD1 4.1Å; L150-I194 HydrophobicContact CD2-CG1 4.49Å; L150-T203 WeakPolarHBondContact CD2-OG1 3.31Å
151K84.5Confident83Confident131 Ų13155.4 Ų55.457%0.5730%0.302SS*.  trans-74.585.5176.4-62.7-170.8178.4177.10110.6S202 T203K151-S202 WeakPolarHBondContact CE-OG 3.34Å; K151-S202 WeakPolarHBondContact CG-OG 3.38Å; K151-T203 PolarHBondContact N-O 2.9Å
152T81.6Confident84.4Confident29 Ų2950.5 Ų50.518%0.17828%0.275CS..  trans-128.1158.2176-178.80000110.5L150 C155 H190L150-T152 VanDerWaalsContact C-N 3.33Å; L150-T152 PolarHBondContact O-N 3.44Å; T152-C155 VanDerWaalsContact CG2-SG 3.55Å; T152-C155 PolarHBondContact OG1-SG 3.42Å; T152-H190 PolarHBondContact OG1-CD2 2.8Å
153S80.9Confident84.8Confident34 Ų3447.3 Ų47.324%0.23826%0.255CS..SBendtrans-66.4173.1159.858.60000110.2C155 S184S153-C155 PolarHBondContact O-N 2.91Å; S153-C155 PolarHBondContact O-SG 2.92Å; S153-S184 WeakPolarHBondContact OG-CB 3.23Å
154A88.8Confident84.1Confident38 Ų3848 Ų4831%0.31426%0.264SS..  trans-50.4130.4171.300000110.9S123 T185S123-A154 CarbonylContact O-C 3.56Å; S123-A154 WeakPolarHBondContact O-CA 3.21Å; A154-T185 HydrophobicContact CB-CG2 4.18Å; A154-T185 PolarHBondContact O-N 2.84Å; A154-T185 VanDerWaalsContact O-N 3.11Å
155C90.1Very high82.6Confident2 Ų245.4 Ų45.41%0.01425%0.253CS..EExtended strand (participates in β ladder)trans-109140.1-178.3-61.70000109.7V105 S123 T152 S153 G183V105-C155 WeakPolarHBondContact CG1-O 3.16Å; S123-C155 PolarHBondContact O-N 2.96Å; T152-C155 VanDerWaalsContact CG2-SG 3.55Å; T152-C155 PolarHBondContact OG1-SG 3.42Å; S153-C155 PolarHBondContact O-N 2.91Å; S153-C155 PolarHBondContact O-SG 2.92Å; C155-G183 VanDerWaalsContact CA-O 3.23Å; C155-G183 WeakPolarHBondContact CA-O 3.17Å
156Y90.6Very high80.8Confident139 Ų13946.2 Ų46.255%0.54526%0.26SS..EExtended strand (participates in β ladder)trans-103.5-17.6173.5-88.9-110.8000112.3G183 T185 V215 I216 F217Y156-G183 PolarHBondContact N-O 2.93Å; Y156-G183 VanDerWaalsContact N-O 3.11Å; Y156-T185 HydrophobicContact CD2-CG2 3.54Å; Y156-T185 HydrophobicContact CE2-CG2 3.38Å; Y156-V215 HydrophobicContact CD1-CG1 3.89Å; Y156-V215 HydrophobicContact CD2-CG1 3.69Å; Y156-V215 HydrophobicContact CE1-CG1 4.43Å; Y156-V215 HydrophobicContact CE2-CG1 4.27Å; Y156-V215 HydrophobicContact CG-CG1 3.47Å; Y156-V215 VanDerWaalsContact CG-CG1 3.47Å; Y156-I216 WeakPolarHBondContact CB-O 3.36Å; Y156-F217 HydrophobicContact CD1-CE1 4.43Å
157T93.4Very high78.7Confident14 Ų1445.7 Ų45.79%0.08626%0.262CS..EExtended strand (participates in β ladder)trans-151.8163.6-178.7-1690000110.3G183 I216 F217 L219T157-G183 PolarHBondContact O-N 2.79Å; T157-I216 HydrophobicContact CG2-CB 4.36Å; T157-I216 HydrophobicContact CG2-CG2 3.81Å; T157-I216 WeakPolarHBondContact CG2-O 3.19Å; T157-F217 WeakPolarHBondContact CB-O 3.45Å; T157-L219 HydrophobicContact CG2-CB 4.3Å; T157-L219 HydrophobicContact CG2-CD1 3.8Å; T157-L219 HydrophobicContact CG2-CG 3.73Å
158G92Very high76.6Confident0 Ų048.3 Ų48.30%028%0.28CS..EExtended strand (participates in β ladder)trans-163.1175.9172.700000111.5Y106 F181Y106-G158 WeakPolarHBondContact CD2-O 3.43Å; G158-F181 CarbonylContact C-O 3.6Å; G158-F181 WeakPolarHBondContact CA-O 3.27Å
159H92.2Very high74.1Confident16 Ų1650.7 Ų50.77%0.07430%0.297CS..EExtended strand (participates in β ladder)trans-148.3139.9175.3-173.8-85.6000109.1F181H159-F181 HydrophobicContact CB-CB 4.26Å; H159-F181 HydrophobicContact CB-CD2 4.38Å; H159-F181 PolarHBondContact N-O 2.86Å; H159-F181 WeakPolarHBondContact O-CD2 3.34Å; H159-F181 PolarHBondContact O-N 2.88Å
160I90.5Very high71.8Confident0 Ų055.4 Ų55.40%032%0.321CS..EExtended strand (participates in β ladder)trans-115.2124.3179.9-56.8161.1000109.4Y106 K108 Q119 F127 T178 V180Y106-I160 HydrophobicContact CD1-CB 4.38Å; Y106-I160 HydrophobicContact CD1-CD1 3.8Å; Y106-I160 HydrophobicContact CD1-CG1 3.86Å; Y106-I160 HydrophobicContact CE1-CB 4.23Å; Y106-I160 HydrophobicContact CE1-CD1 4.31Å; Y106-I160 HydrophobicContact CE1-CG1 4.23Å; K108-I160 HydrophobicContact CB-CB 4.24Å; K108-I160 HydrophobicContact CB-CD1 4.16Å; K108-I160 HydrophobicContact CD-CB 4.08Å; K108-I160 HydrophobicContact CD-CG2 4.35Å; K108-I160 WeakPolarHBondContact CD-O 3.39Å; K108-I160 PolarHBondContact NZ-O 3.5Å; Q119-I160 HydrophobicContact CB-CD1 3.96Å; Q119-I160 VanDerWaalsContact OE1-CG2 3.26Å; F127-I160 HydrophobicContact CD2-CD1 4.32Å; F127-I160 HydrophobicContact CE2-CD1 3.77Å; F127-I160 HydrophobicContact CE2-CG1 4.19Å; F127-I160 HydrophobicContact CE2-CG2 4.32Å; I160-T178 HydrophobicContact CG2-CG2 3.74Å; I160-V180 HydrophobicContact CG1-CG1 4.48Å; I160-V180 HydrophobicContact CG1-CG2 4.44Å
161L85.6Confident69.4Low28 Ų2863.5 Ų63.515%0.14736%0.364CS..EExtended strand (participates in β ladder)trans-114.6118.8174.2-175.973000109.4F163 I179 F181 L221 F235 F262L161-F163 HydrophobicContact CD2-CD1 4.37Å; L161-F163 HydrophobicContact CG-CD1 4.43Å; L161-I179 PolarHBondContact N-O 2.76Å; L161-I179 PolarHBondContact O-N 3Å; L161-F181 HydrophobicContact CB-CE2 4.3Å; L161-L221 HydrophobicContact CB-CD2 4.33Å; L161-L221 HydrophobicContact CD1-CD2 4.24Å; L161-L221 HydrophobicContact CD2-CD2 3.99Å; L161-L221 HydrophobicContact CG-CD2 4.42Å; L161-F235 HydrophobicContact CD2-CE1 4.41Å; L161-F262 HydrophobicContact CD2-CE1 4.2Å; L161-F262 HydrophobicContact CD2-CE2 4.35Å; L161-F262 HydrophobicContact CD2-CZ 3.49Å; L161-F262 VanDerWaalsContact CD2-CZ 3.49Å
162Q78Confident66.8Low47 Ų4759.2 Ų59.222%0.2235%0.35CS..EExtended strand (participates in β ladder)trans-111133.7170.7-175171-12.400108.2N110 D176N110-Q162 PolarHBondContact ND2-OE1 3.05Å; Q162-D176 HydrophobicContact CG-CB 4.26Å; Q162-D176 PolarHBondContact NE2-OD2 2.81Å
163F68Low64.4Low45 Ų4562.9 Ų62.920%0.19737%0.374CS..EExtended strand (participates in β ladder)trans-135.1137.8172.354.4-85.7000109.9L161 D176 K177 I179 F262L161-F163 HydrophobicContact CD2-CD1 4.37Å; L161-F163 HydrophobicContact CG-CD1 4.43Å; F163-D176 WeakPolarHBondContact O-CA 3.39Å; F163-K177 HydrophobicContact CD2-CB 4.36Å; F163-K177 HydrophobicContact CE1-CB 4.01Å; F163-K177 HydrophobicContact CE2-CB 3.7Å; F163-K177 HydrophobicContact CE2-CD 3.92Å; F163-K177 HydrophobicContact CE2-CG 4.28Å; F163-K177 HydrophobicContact CZ-CB 3.5Å; F163-K177 HydrophobicContact CZ-CD 4.01Å; F163-K177 HydrophobicContact CZ-CG 4.36Å; F163-K177 PolarHBondContact N-O 2.77Å; F163-K177 PolarHBondContact O-N 3.34Å; F163-I179 HydrophobicContact CE1-CD1 3.68Å; F163-I179 HydrophobicContact CE1-CG1 4.05Å; F163-I179 HydrophobicContact CZ-CD1 4.2Å; F163-F262 HydrophobicContact CE1-CD2 4.49Å; F163-F262 AromaticContact CE1-CE2 3.71Å; F163-F262 HydrophobicContact CE1-CE2 3.71Å; F163-F262 HydrophobicContact CE1-CZ 4.5Å; F163-F262 HydrophobicContact CZ-CE2 4.05Å
164S56.6Low62.5Low86 Ų8664.9 Ų64.960%0.60139%0.387SS*.EExtended strand (participates in β ladder)trans-83120.6171.449.20000108.9D176S164-D176 WeakPolarHBondContact CA-OD1 3.36Å; S164-D176 WeakPolarHBondContact CB-OD1 3.39Å
165S48.4Very low60.5Low45 Ų4566.7 Ų66.732%0.31539%0.394SS..PPolyproline II helixtrans-67.2130.7164.7179.50000107.8A167 P174S165-A167 PolarHBondContact O-N 3.33Å; S165-P174 WeakPolarHBondContact O-CB 3.46Å
166P44Very low59Low91 Ų9168.6 Ų68.659%0.59140%0.404SS*.PPolyproline II helixtrans-56.1133.1164.823.7-30.1000108S168P166-S168 PolarHBondContact O-N 3.06Å; P166-S168 VanDerWaalsContact O-N 3.08Å
167A40.5Very low58Low53 Ų5366 Ų6644%0.43840%0.395SS..PPolyproline II helixtrans-56.4116-179.800000109.3S165 S169 S172S165-A167 PolarHBondContact O-N 3.33Å; A167-S169 PolarHBondContact O-N 3.13Å; A167-S169 VanDerWaalsContact O-N 3.15Å; A167-S172 WeakPolarHBondContact CB-O 3.28Å
168S41.6Very low57.5Low120 Ų12065.5 Ų65.584%0.83939%0.392SS*.SBendtrans-71.7-1.5178.4550000112.9P166P166-S168 PolarHBondContact O-N 3.06Å; P166-S168 VanDerWaalsContact O-N 3.08Å
169S34Very low57.3Low55 Ų5565.7 Ų65.739%0.38539%0.393SS..SBendtrans-154.2148.6171.9770000110.8A167 L171 S172A167-S169 PolarHBondContact O-N 3.13Å; A167-S169 VanDerWaalsContact O-N 3.15Å; S169-L171 PolarHBondContact O-N 3.45Å; S169-S172 PolarHBondContact O-N 3.03Å; S169-S172 PolarHBondContact O-OG 3.41Å; S169-S172 WeakPolarHBondContact OG-CB 3.18Å; S169-S172 PolarHBondContact OG-N 3.2Å; S169-S172 PolarHBondContact OG-OG 3.23Å
170L39.4Very low57.2Low190 Ų19065 Ų65100%0.99539%0.39SS*.THydrogen-bonded Turntrans-57.9-6.1174.9-84.9155.1000114.3
171L36.1Very low57.3Low171 Ų17165 Ų6590%0.89539%0.39SS*.THydrogen-bonded Turntrans-117.7-0.2-174.1-72.2161.5000113.9S169S169-L171 PolarHBondContact O-N 3.45Å
172S30.1Very low57.7Low41 Ų4163.6 Ų63.629%0.28738%0.383SS..SBendtrans-116.1125.1-179.656.60000111A167 S169A167-S172 WeakPolarHBondContact CB-O 3.28Å; S169-S172 PolarHBondContact O-N 3.03Å; S169-S172 PolarHBondContact O-OG 3.41Å; S169-S172 WeakPolarHBondContact OG-CB 3.18Å; S169-S172 PolarHBondContact OG-N 3.2Å; S169-S172 PolarHBondContact OG-OG 3.23Å
173P31.5Very low58.5Low105 Ų10561.4 Ų61.468%0.68237%0.372SS*.  trans-60.9148.7175.425.8-32.5000110.7V175P173-V175 PolarHBondContact O-N 2.78Å; P173-V175 VanDerWaalsContact O-N 3.13Å
174P41.1Very low59.6Low76 Ų7659.2 Ų59.249%0.49436%0.363SS..  trans-57.1119.5175.123.9-32.1000109.5S165 D176S165-P174 WeakPolarHBondContact O-CB 3.46Å; P174-D176 PolarHBondContact O-N 2.98Å
175V47.8Very low61.3Low76 Ų7656.8 Ų56.846%0.46135%0.345SS..  trans-84.3100.9174-1770000107.3P173 K177P173-V175 PolarHBondContact O-N 2.78Å; P173-V175 VanDerWaalsContact O-N 3.13Å; V175-K177 PolarHBondContact O-N 3.13Å
176D57.5Low63.3Low43 Ų4361.4 Ų61.423%0.2336%0.359CS..EExtended strand (participates in β ladder)trans-65.6127.4170.7-73.2-4.9000109.2Q162 F163 S164 P174 N196Q162-D176 HydrophobicContact CG-CB 4.26Å; Q162-D176 PolarHBondContact NE2-OD2 2.81Å; F163-D176 WeakPolarHBondContact O-CA 3.39Å; S164-D176 WeakPolarHBondContact CA-OD1 3.36Å; S164-D176 WeakPolarHBondContact CB-OD1 3.39Å; P174-D176 PolarHBondContact O-N 2.98Å; D176-N196 VanDerWaalsContact O-CG 3.26Å; D176-N196 PolarHBondContact O-ND2 3Å; D176-N196 PolarHBondContact O-OD1 2.89Å
177K69.5Low65.5Low83 Ų8357.2 Ų57.236%0.36133%0.332SS..EExtended strand (participates in β ladder)trans-103.8128.2171.6-70.6177.1-175.5163.30108.1F163 V175F163-K177 HydrophobicContact CD2-CB 4.36Å; F163-K177 HydrophobicContact CE1-CB 4.01Å; F163-K177 HydrophobicContact CE2-CB 3.7Å; F163-K177 HydrophobicContact CE2-CD 3.92Å; F163-K177 HydrophobicContact CE2-CG 4.28Å; F163-K177 HydrophobicContact CZ-CB 3.5Å; F163-K177 HydrophobicContact CZ-CD 4.01Å; F163-K177 HydrophobicContact CZ-CG 4.36Å; F163-K177 PolarHBondContact N-O 2.77Å; F163-K177 PolarHBondContact O-N 3.34Å; V175-K177 PolarHBondContact O-N 3.13Å
178T82.2Confident68Low5 Ų556.8 Ų56.83%0.03132%0.322CS..EExtended strand (participates in β ladder)trans-103.6130.6175.7-56.40000109.7F127 I160 V180 I194F127-T178 HydrophobicContact CZ-CG2 3.88Å; I160-T178 HydrophobicContact CG2-CG2 3.74Å; T178-V180 HydrophobicContact CG2-CG2 4.25Å; T178-I194 PolarHBondContact O-N 3.03Å
179I88Confident70.5Confident4 Ų451.2 Ų51.22%0.02128%0.283CS..EExtended strand (participates in β ladder)trans-119.6129.4175.4-61.2-178.4000108.7L161 F163 F181 I191 F192 F262L161-I179 PolarHBondContact N-O 2.76Å; L161-I179 PolarHBondContact O-N 3Å; F163-I179 HydrophobicContact CE1-CD1 3.68Å; F163-I179 HydrophobicContact CE1-CG1 4.05Å; F163-I179 HydrophobicContact CZ-CD1 4.2Å; I179-F181 HydrophobicContact CB-CE2 4.4Å; I179-F181 HydrophobicContact CG2-CD2 4.22Å; I179-F181 HydrophobicContact CG2-CE2 3.61Å; I179-F181 HydrophobicContact CG2-CZ 3.82Å; I179-I191 HydrophobicContact CG2-CG2 3.74Å; I179-F192 VanDerWaalsContact CA-O 3.31Å; I179-F192 WeakPolarHBondContact CA-O 3.25Å; I179-F262 HydrophobicContact CD1-CB 4.05Å; I179-F262 HydrophobicContact CD1-CD1 3.94Å; I179-F262 HydrophobicContact CD1-CD2 2.96Å; I179-F262 HydrophobicContact CD1-CE1 4.08Å; I179-F262 HydrophobicContact CD1-CE2 3.09Å; I179-F262 HydrophobicContact CD1-CG 3.39Å; I179-F262 HydrophobicContact CD1-CZ 3.67Å; I179-F262 HydrophobicContact CG1-CD2 4.47Å; I179-F262 HydrophobicContact CG1-CE2 4.49Å
180V90.5Very high73.3Confident0 Ų049.6 Ų49.60%027%0.27CS..EExtended strand (participates in β ladder)trans-115.8126-178.8-174.90000108.7L121 F127 L150 I160 T178 I191 F192 I194L121-V180 HydrophobicContact CD1-CG1 4.15Å; L121-V180 HydrophobicContact CD2-CG1 4Å; F127-V180 HydrophobicContact CD2-CG2 3.95Å; F127-V180 HydrophobicContact CE2-CG2 3.94Å; F127-V180 HydrophobicContact CG-CG2 4.41Å; F127-V180 HydrophobicContact CZ-CG2 4.4Å; L150-V180 HydrophobicContact CD1-CB 4.21Å; L150-V180 HydrophobicContact CD1-CG1 3.85Å; I160-V180 HydrophobicContact CG1-CG1 4.48Å; I160-V180 HydrophobicContact CG1-CG2 4.44Å; T178-V180 HydrophobicContact CG2-CG2 4.25Å; V180-I191 WeakPolarHBondContact O-CA 3.27Å; V180-F192 HydrophobicContact CB-CB 4.38Å; V180-F192 PolarHBondContact N-O 3.14Å; V180-F192 PolarHBondContact O-N 3.3Å; V180-I194 HydrophobicContact CG2-CD1 3.55Å; V180-I194 HydrophobicContact CG2-CG1 4.35Å
181F93.2Very high75.8Confident0 Ų040.8 Ų40.80%022%0.223CC..EExtended strand (participates in β ladder)trans-102.1133.3172.5-58.5-99.4000108.2G158 H159 L161 I179 I189 H190 I191 L221 L237 F262 W265G158-F181 CarbonylContact C-O 3.6Å; G158-F181 WeakPolarHBondContact CA-O 3.27Å; H159-F181 HydrophobicContact CB-CB 4.26Å; H159-F181 HydrophobicContact CB-CD2 4.38Å; H159-F181 PolarHBondContact N-O 2.86Å; H159-F181 WeakPolarHBondContact O-CD2 3.34Å; H159-F181 PolarHBondContact O-N 2.88Å; L161-F181 HydrophobicContact CB-CE2 4.3Å; I179-F181 HydrophobicContact CB-CE2 4.4Å; I179-F181 HydrophobicContact CG2-CD2 4.22Å; I179-F181 HydrophobicContact CG2-CE2 3.61Å; I179-F181 HydrophobicContact CG2-CZ 3.82Å; F181-I189 HydrophobicContact CB-CG2 4.45Å; F181-H190 CarbonylContact C-O 3.56Å; F181-H190 WeakPolarHBondContact CA-O 3.46Å; F181-I191 HydrophobicContact CD1-CD1 4Å; F181-I191 HydrophobicContact CD1-CG1 3.75Å; F181-I191 HydrophobicContact CD1-CG2 4.36Å; F181-I191 HydrophobicContact CE1-CD1 3.72Å; F181-I191 HydrophobicContact CE1-CG1 3.94Å; F181-I191 HydrophobicContact CE1-CG2 4.12Å; F181-L221 HydrophobicContact CE2-CD2 4.02Å; F181-L221 HydrophobicContact CZ-CD2 4.26Å; F181-L237 HydrophobicContact CD1-CD1 4.2Å; F181-L237 HydrophobicContact CD1-CD2 3.91Å; F181-L237 HydrophobicContact CE1-CD1 4.5Å; F181-L237 HydrophobicContact CE1-CD2 4.07Å; F181-F262 HydrophobicContact CZ-CD1 4.5Å; F181-F262 HydrophobicContact CZ-CE1 4.22Å; F181-W265 HydrophobicContact CE1-CH2 4.14Å; F181-W265 AromaticContact CE1-CZ2 3.59Å; F181-W265 HydrophobicContact CE1-CZ2 3.59Å; F181-W265 HydrophobicContact CZ-CH2 4.31Å; F181-W265 AromaticContact CZ-CZ2 3.8Å; F181-W265 HydrophobicContact CZ-CZ2 3.8Å
182C93.9Very high78.3Confident0 Ų032.6 Ų32.60%018%0.181CC..EExtended strand (participates in β ladder)trans-128.3119.5-178.6-66.30000110.2I189 H190 F192C182-I189 CarbonylContact O-C 3.59Å; C182-I189 WeakPolarHBondContact O-CA 3.21Å; C182-H190 HydrophobicContact CB-CB 4.31Å; C182-H190 PolarHBondContact N-O 2.88Å; C182-H190 PolarHBondContact O-N 2.75Å; C182-F192 HydrophobicContact CB-CE2 4.13Å
183G93.9Very high80.9Confident0 Ų036.2 Ų36.20%019%0.191CC..EExtended strand (participates in β ladder)trans-89114.4174.900000111C155 Y156 T157C155-G183 VanDerWaalsContact CA-O 3.23Å; C155-G183 WeakPolarHBondContact CA-O 3.17Å; Y156-G183 PolarHBondContact N-O 2.93Å; Y156-G183 VanDerWaalsContact N-O 3.11Å; T157-G183 PolarHBondContact O-N 2.79Å
184S92.5Very high83.2Confident0 Ų031.7 Ų31.70%016%0.161CC..EExtended strand (participates in β ladder)trans-82.2163.7-176.663.60000113.8S153 F186 N188 I216S153-S184 WeakPolarHBondContact OG-CB 3.23Å; S184-F186 PolarHBondContact O-N 3.43Å; S184-F186 PolarHBondContact OG-N 3.24Å; S184-N188 WeakPolarHBondContact CB-O 3.31Å; S184-N188 PolarHBondContact N-O 3.02Å; S184-N188 WeakPolarHBondContact OG-CA 3.39Å; S184-N188 WeakPolarHBondContact OG-CB 3.46Å; S184-N188 PolarHBondContact OG-N 2.8Å; S184-N188 PolarHBondContact OG-O 3.08Å; S184-I216 PolarHBondContact O-N 2.85Å
185T91.9Very high84.5Confident35 Ų3531.8 Ų31.822%0.21516%0.162CC..THydrogen-bonded Turntrans-65.2-12.9166.750.70000114.4A154 Y156 G214 V215A154-T185 HydrophobicContact CB-CG2 4.18Å; A154-T185 PolarHBondContact O-N 2.84Å; A154-T185 VanDerWaalsContact O-N 3.11Å; Y156-T185 HydrophobicContact CD2-CG2 3.54Å; Y156-T185 HydrophobicContact CE2-CG2 3.38Å; T185-G214 CarbonylContact O-C 3.59Å; T185-V215 HydrophobicContact CG2-CG2 4.4Å
186F90.1Very high85.2Confident142 Ų14231.7 Ų31.762%0.62316%0.159SC*.THydrogen-bonded Turntrans-104.19.8-175.1-61.9-69.8000113.8S184 N188 G214S184-F186 PolarHBondContact O-N 3.43Å; S184-F186 PolarHBondContact OG-N 3.24Å; F186-N188 VanDerWaalsContact C-N 3.35Å; F186-G214 CarbonylContact C-O 3.49Å
187G90.3Very high85.1Confident2 Ų236.2 Ų36.22%0.02118%0.183CC..SBendtrans84.69175.800000114.4G214G187-G214 WeakPolarHBondContact CA-O 3.43Å; G187-G214 PolarHBondContact N-O 2.95Å
188N93.2Very high84.3Confident44 Ų4438.7 Ų38.724%0.23520%0.2CC..EExtended strand (participates in β ladder)trans-100.7142.5178.4-56-35000111.5S184 F186 L209 C210 I216S184-N188 WeakPolarHBondContact CB-O 3.31Å; S184-N188 PolarHBondContact N-O 3.02Å; S184-N188 WeakPolarHBondContact OG-CA 3.39Å; S184-N188 WeakPolarHBondContact OG-CB 3.46Å; S184-N188 PolarHBondContact OG-N 2.8Å; S184-N188 PolarHBondContact OG-O 3.08Å; F186-N188 VanDerWaalsContact C-N 3.35Å; N188-L209 WeakPolarHBondContact CA-O 3.39Å; N188-C210 PolarHBondContact OD1-SG 3.04Å; N188-I216 WeakPolarHBondContact O-CD1 3.42Å
189I93.7Very high83.1Confident3 Ų340.3 Ų40.32%0.01521%0.21CC..EExtended strand (participates in β ladder)trans-103.6111.8168.8-51166000108.5F181 C182 S208 L209 I216 L219 L237F181-I189 HydrophobicContact CB-CG2 4.45Å; C182-I189 CarbonylContact O-C 3.59Å; C182-I189 WeakPolarHBondContact O-CA 3.21Å; I189-S208 CarbonylContact O-C 3.54Å; I189-S208 WeakPolarHBondContact O-CA 3.45Å; I189-L209 HydrophobicContact CB-CB 4.16Å; I189-L209 HydrophobicContact CB-CD1 4.49Å; I189-L209 HydrophobicContact CD1-CD1 4.44Å; I189-L209 PolarHBondContact N-O 2.78Å; I189-L209 PolarHBondContact O-N 3.29Å; I189-I216 HydrophobicContact CD1-CD1 4.37Å; I189-I216 HydrophobicContact CG1-CD1 3.4Å; I189-I216 VanDerWaalsContact CG1-CD1 3.4Å; I189-L219 HydrophobicContact CD1-CD2 3.6Å; I189-L219 HydrophobicContact CG1-CD2 3.94Å; I189-L219 HydrophobicContact CG2-CD1 4.04Å; I189-L219 HydrophobicContact CG2-CD2 4.38Å; I189-L237 HydrophobicContact CD1-CD2 4.14Å; I189-L237 HydrophobicContact CG2-CD2 4.3Å
190H92.7Very high81.6Confident22 Ų2246.3 Ų46.310%0.10225%0.247CC..EExtended strand (participates in β ladder)trans-89.9131.5176.4-62-58.5000110.5T152 F181 C182 F192 P205 S208T152-H190 PolarHBondContact OG1-CD2 2.8Å; F181-H190 CarbonylContact C-O 3.56Å; F181-H190 WeakPolarHBondContact CA-O 3.46Å; C182-H190 HydrophobicContact CB-CB 4.31Å; C182-H190 PolarHBondContact N-O 2.88Å; C182-H190 PolarHBondContact O-N 2.75Å; H190-F192 HydrophobicContact CB-CD2 4.4Å; H190-F192 HydrophobicContact CB-CE2 3.52Å; H190-F192 HydrophobicContact CB-CZ 3.93Å; H190-P205 HydrophobicContact CB-CB 4.09Å; H190-S208 PolarHBondContact CE1-OG 3.01Å; H190-S208 PolarHBondContact ND1-OG 3.42Å
191I91.3Very high80.2Confident4 Ų453.9 Ų53.92%0.02128%0.282CS..EExtended strand (participates in β ladder)trans-111.8124.5179.8-52.6-177.7000108.8I179 V180 F181 P205 S206 L207 L209 W265I179-I191 HydrophobicContact CG2-CG2 3.74Å; V180-I191 WeakPolarHBondContact O-CA 3.27Å; F181-I191 HydrophobicContact CD1-CD1 4Å; F181-I191 HydrophobicContact CD1-CG1 3.75Å; F181-I191 HydrophobicContact CD1-CG2 4.36Å; F181-I191 HydrophobicContact CE1-CD1 3.72Å; F181-I191 HydrophobicContact CE1-CG1 3.94Å; F181-I191 HydrophobicContact CE1-CG2 4.12Å; I191-P205 CarbonylContact O-C 3.56Å; I191-S206 WeakPolarHBondContact O-CB 3.38Å; I191-S206 PolarHBondContact O-N 2.9Å; I191-L207 HydrophobicContact CB-CB 4.34Å; I191-L207 HydrophobicContact CD1-CB 4.42Å; I191-L207 HydrophobicContact CD1-CD2 4.17Å; I191-L207 PolarHBondContact N-O 2.85Å; I191-L207 PolarHBondContact O-N 2.8Å; I191-L209 HydrophobicContact CD1-CD1 4.09Å; I191-L209 HydrophobicContact CD1-CG 4.24Å; I191-W265 HydrophobicContact CD1-CG 4.47Å; I191-W265 HydrophobicContact CD1-CZ2 4.48Å
192F88.7Confident78.7Confident0 Ų056.5 Ų56.50%030%0.301CS..EExtended strand (participates in β ladder)trans-117.1133.4179.9-59.9-93.9000110.5L150 I179 V180 C182 H190 T203 P205L150-F192 HydrophobicContact CB-CD1 4.13Å; L150-F192 HydrophobicContact CB-CD2 4.46Å; L150-F192 HydrophobicContact CB-CE1 3.91Å; L150-F192 HydrophobicContact CB-CE2 4.25Å; L150-F192 HydrophobicContact CB-CG 4.41Å; L150-F192 HydrophobicContact CB-CZ 3.99Å; L150-F192 HydrophobicContact CD1-CD2 4Å; L150-F192 HydrophobicContact CD1-CE2 4.38Å; L150-F192 HydrophobicContact CD1-CG 4.18Å; L150-F192 HydrophobicContact CD2-CB 4.19Å; L150-F192 HydrophobicContact CD2-CD1 4.03Å; L150-F192 HydrophobicContact CD2-CG 4.06Å; L150-F192 HydrophobicContact CG-CG 4.45Å; I179-F192 VanDerWaalsContact CA-O 3.31Å; I179-F192 WeakPolarHBondContact CA-O 3.25Å; V180-F192 HydrophobicContact CB-CB 4.38Å; V180-F192 PolarHBondContact N-O 3.14Å; V180-F192 PolarHBondContact O-N 3.3Å; C182-F192 HydrophobicContact CB-CE2 4.13Å; H190-F192 HydrophobicContact CB-CD2 4.4Å; H190-F192 HydrophobicContact CB-CE2 3.52Å; H190-F192 HydrophobicContact CB-CZ 3.93Å; F192-T203 WeakPolarHBondContact CE1-O 3.39Å; F192-P205 HydrophobicContact CD1-CB 4.35Å; F192-P205 VanDerWaalsContact CE1-CA 3.46Å; F192-P205 HydrophobicContact CE1-CB 3.8Å; F192-P205 HydrophobicContact CE1-CG 4.39Å; F192-P205 VanDerWaalsContact CE1-N 3.31Å; F192-P205 HydrophobicContact CE2-CB 4.46Å; F192-P205 HydrophobicContact CZ-CB 3.85Å; F192-P205 HydrophobicContact CZ-CG 4.49Å
193K84.7Confident77.6Confident117 Ų11758 Ų5851%0.50931%0.31SS..EExtended strand (participates in β ladder)trans-102.3116.8171-175.3177.3178.4-179.60109.2P195 S206K193-P195 WeakPolarHBondContact O-CD 3.4Å; K193-S206 PolarHBondContact N-OG 2.86Å
194I80.4Confident77Confident10 Ų1061.2 Ų61.25%0.05134%0.336CS..EExtended strand (participates in β ladder)trans-103.1111.5-177.6-55.3-179.1000108.6F127 V148 L150 T178 V180F127-I194 HydrophobicContact CB-CD1 4.4Å; F127-I194 HydrophobicContact CD1-CD1 3.31Å; F127-I194 HydrophobicContact CD2-CD1 4.46Å; F127-I194 HydrophobicContact CE1-CD1 3.53Å; F127-I194 HydrophobicContact CG-CD1 3.81Å; F127-I194 HydrophobicContact CZ-CD1 4.22Å; V148-I194 HydrophobicContact CG2-CG2 4.36Å; L150-I194 HydrophobicContact CD2-CD1 4.1Å; L150-I194 HydrophobicContact CD2-CG1 4.49Å; T178-I194 PolarHBondContact O-N 3.03Å; V180-I194 HydrophobicContact CG2-CD1 3.55Å; V180-I194 HydrophobicContact CG2-CG1 4.35Å
195P68.4Low76.5Confident77 Ų7763.4 Ų63.450%0.535%0.351SS..  trans-76137.6170.729.8-30.5000110.4K193 D197K193-P195 WeakPolarHBondContact O-CD 3.4Å; P195-D197 VanDerWaalsContact C-N 3.25Å; P195-D197 PolarHBondContact O-N 3.26Å
196N62.8Low76.1Confident75 Ų7565.6 Ų65.640%0.40137%0.367SS..THydrogen-bonded Turntrans-64.8-24.8-178.6-78.1-3.1000113.9D176D176-N196 VanDerWaalsContact O-CG 3.26Å; D176-N196 PolarHBondContact O-ND2 3Å; D176-N196 PolarHBondContact O-OD1 2.89Å
197D55.9Low76Confident138 Ų13861 Ų6174%0.73835%0.349SS*.THydrogen-bonded Turntrans-92.53.9-163.9-70.2-21.7000116.4P195P195-D197 VanDerWaalsContact C-N 3.25Å; P195-D197 PolarHBondContact O-N 3.26Å
198N52.4Low76Confident135 Ų13563.3 Ų63.372%0.72236%0.364SS*.  trans-162.192.5173-93.3-40000112.3
199V56.6Low76Confident38 Ų3861.6 Ų61.623%0.2336%0.355CS..  trans-85.9-4.6-170.2179.40000113.4S147 V148S147-V199 WeakPolarHBondContact O-CG1 3.3Å; V148-V199 HydrophobicContact CG2-CB 4.18Å; V148-V199 HydrophobicContact CG2-CG1 3.38Å
200T56.6Low75.9Confident131 Ų13165.5 Ų65.580%0.80438%0.382SS*.SBendtrans-89.4-6.3-165.454.40000116.3
201Q61Low75.7Confident159 Ų15965.9 Ų65.974%0.74339%0.389SS*.SBendtrans-112.3139.2-177.8-68.4-172.11.100113.1T203Q201-T203 PolarHBondContact O-N 2.89Å
202S61Low75.7Confident55 Ų5566.3 Ų66.339%0.38539%0.391SS..PPolyproline II helixtrans-62.2125.3177.2179.30000111.4N149 K151N149-S202 WeakPolarHBondContact O-CA 3.48Å; N149-S202 WeakPolarHBondContact O-CB 3.47Å; N149-S202 PolarHBondContact O-OG 3.06Å; K151-S202 WeakPolarHBondContact CE-OG 3.34Å; K151-S202 WeakPolarHBondContact CG-OG 3.38Å
203T72.6Confident75.7Confident32 Ų3274.1 Ų74.120%0.19643%0.425CS..BIsolated β-bridgetrans-96.4131.3-174.553.40000111.2V148 N149 L150 K151 F192 Q201V148-T203 HydrophobicContact CG1-CG2 4.12Å; N149-T203 PolarHBondContact O-N 2.91Å; L150-T203 WeakPolarHBondContact CD2-OG1 3.31Å; K151-T203 PolarHBondContact N-O 2.9Å; F192-T203 WeakPolarHBondContact CE1-O 3.39Å; Q201-T203 PolarHBondContact O-N 2.89Å
204A79.6Confident75.9Confident66 Ų6669.8 Ų69.855%0.54541%0.414SS..PPolyproline II helixtrans-77.4152.9169.700000110.4S206A204-S206 PolarHBondContact O-N 2.79Å
205P82Confident76.6Confident47 Ų4770.2 Ų70.231%0.30542%0.417SS..PPolyproline II helixtrans-62.9132.7177.126-33.5000110.2H190 I191 F192H190-P205 HydrophobicContact CB-CB 4.09Å; I191-P205 CarbonylContact O-C 3.56Å; F192-P205 HydrophobicContact CD1-CB 4.35Å; F192-P205 VanDerWaalsContact CE1-CA 3.46Å; F192-P205 HydrophobicContact CE1-CB 3.8Å; F192-P205 HydrophobicContact CE1-CG 4.39Å; F192-P205 VanDerWaalsContact CE1-N 3.31Å; F192-P205 HydrophobicContact CE2-CB 4.46Å; F192-P205 HydrophobicContact CZ-CB 3.85Å; F192-P205 HydrophobicContact CZ-CG 4.49Å
206S83.8Confident77.8Confident80 Ų8066.6 Ų66.656%0.55939%0.393SS*.SBendtrans-70.9-34.4175.6-54.10000111.7I191 K193 A204I191-S206 WeakPolarHBondContact O-CB 3.38Å; I191-S206 PolarHBondContact O-N 2.9Å; K193-S206 PolarHBondContact N-OG 2.86Å; A204-S206 PolarHBondContact O-N 2.79Å
207L89.5Confident79.4Confident47 Ų4764.5 Ų64.525%0.24638%0.38CS..EExtended strand (participates in β ladder)trans-149.5151.5176.7-175.964000109.3I191 L209 W265I191-L207 HydrophobicContact CB-CB 4.34Å; I191-L207 HydrophobicContact CD1-CB 4.42Å; I191-L207 HydrophobicContact CD1-CD2 4.17Å; I191-L207 PolarHBondContact N-O 2.85Å; I191-L207 PolarHBondContact O-N 2.8Å; L207-L209 HydrophobicContact CD2-CD2 3.65Å; L207-L209 HydrophobicContact CG-CD2 4.03Å; L207-W265 HydrophobicContact CD2-CB 4.49Å; L207-W265 VanDerWaalsContact CD2-CD1 3.5Å; L207-W265 HydrophobicContact CD2-CG 4.32Å
208S90.3Very high81.2Confident49 Ų4958.4 Ų58.434%0.34335%0.348SS..EExtended strand (participates in β ladder)trans-127.6124.5169.6-580000109.3I189 H190I189-S208 CarbonylContact O-C 3.54Å; I189-S208 WeakPolarHBondContact O-CA 3.45Å; H190-S208 PolarHBondContact CE1-OG 3.01Å; H190-S208 PolarHBondContact ND1-OG 3.42Å
209L92.4Very high83.3Confident9 Ų952.3 Ų52.35%0.04732%0.316CS..EExtended strand (participates in β ladder)trans-95.8127.9177.3-51.3178000109.4N188 I189 I191 L207 L237 W249 W265N188-L209 WeakPolarHBondContact CA-O 3.39Å; I189-L209 HydrophobicContact CB-CB 4.16Å; I189-L209 HydrophobicContact CB-CD1 4.49Å; I189-L209 HydrophobicContact CD1-CD1 4.44Å; I189-L209 PolarHBondContact N-O 2.78Å; I189-L209 PolarHBondContact O-N 3.29Å; I191-L209 HydrophobicContact CD1-CD1 4.09Å; I191-L209 HydrophobicContact CD1-CG 4.24Å; L207-L209 HydrophobicContact CD2-CD2 3.65Å; L207-L209 HydrophobicContact CG-CD2 4.03Å; L209-L237 HydrophobicContact CD1-CD2 3.76Å; L209-W249 HydrophobicContact CB-CD2 4.35Å; L209-W249 HydrophobicContact CB-CH2 3.98Å; L209-W249 HydrophobicContact CB-CZ2 3.72Å; L209-W249 HydrophobicContact CB-CZ3 4.38Å; L209-W249 HydrophobicContact CD1-CB 4.43Å; L209-W249 HydrophobicContact CD1-CD2 3.89Å; L209-W249 HydrophobicContact CD1-CE3 4.29Å; L209-W249 HydrophobicContact CD1-CG 3.94Å; L209-W249 HydrophobicContact CD2-CE3 4.19Å; L209-W249 HydrophobicContact CD2-CZ3 4.19Å; L209-W265 HydrophobicContact CD1-CB 4.3Å; L209-W265 HydrophobicContact CD1-CD2 4.43Å; L209-W265 HydrophobicContact CD1-CG 4.22Å; L209-W265 HydrophobicContact CD2-CB 3.73Å; L209-W265 HydrophobicContact CD2-CG 4.14Å
210C90.8Very high85.1Confident85 Ų8551.9 Ų51.957%0.57431%0.312SS*.EExtended strand (participates in β ladder)trans-12898-173.7-580000109.9N188N188-C210 PolarHBondContact OD1-SG 3.04Å
211A88.4Confident86.8Confident30 Ų3046.6 Ų46.625%0.24828%0.279CS..  trans-134.8-18.4174.300000114.7A247 W249 L267A211-A247 HydrophobicContact CB-CB 4.19Å; A211-W249 HydrophobicContact CB-CH2 3.91Å; A211-W249 HydrophobicContact CB-CZ2 3.36Å; A211-L267 HydrophobicContact CB-CD1 4.18Å; A211-L267 HydrophobicContact CB-CD2 3.99Å
212Q91.1Very high88Confident13 Ų1340.2 Ų40.26%0.06125%0.252CS..  trans-115.7164.9-173.8-55.6-175.8-64.800110.4S239 A241 S245 A247Q212-S239 PolarHBondContact NE2-O 2.84Å; Q212-S239 VanDerWaalsContact NE2-O 3.15Å; Q212-S239 PolarHBondContact OE1-OG 3.41Å; Q212-S239 VanDerWaalsContact OE1-OG 3.09Å; Q212-A241 HydrophobicContact CB-CB 3.84Å; Q212-A241 HydrophobicContact CG-CB 4.35Å; Q212-S245 WeakPolarHBondContact CG-OG 3.39Å; Q212-S245 PolarHBondContact NE2-O 2.88Å; Q212-S245 PolarHBondContact NE2-OG 2.83Å; Q212-A247 HydrophobicContact CG-CB 3.85Å
213K88.9Confident89Confident163 Ų16339.9 Ų39.971%0.70925%0.249SC*.  trans-118.9149175.5-62.8-178.5-179.7-178.40110.4D243K213-D243 HydrophobicContact CB-CB 4.09Å; K213-D243 PolarHBondContact N-OD2 2.96Å; K213-D243 VanDerWaalsContact O-CB 3.3Å; K213-D243 WeakPolarHBondContact O-CB 3.38Å; K213-D243 PolarHBondContact O-N 2.8Å
214G89.8Confident89.1Confident27 Ų2739.2 Ų39.228%0.27824%0.244SC..SBendtrans77.2-163.6179.100000112.9T185 F186 G187T185-G214 CarbonylContact O-C 3.59Å; F186-G214 CarbonylContact C-O 3.49Å; G187-G214 WeakPolarHBondContact CA-O 3.43Å; G187-G214 PolarHBondContact N-O 2.95Å
215V94.1Very high88.2Confident19 Ų1938 Ų3812%0.11524%0.238CC..  trans-71.5132.9-173.4-174.80000111.2Y156 T185 F217 A241 E242Y156-V215 HydrophobicContact CD1-CG1 3.89Å; Y156-V215 HydrophobicContact CD2-CG1 3.69Å; Y156-V215 HydrophobicContact CE1-CG1 4.43Å; Y156-V215 HydrophobicContact CE2-CG1 4.27Å; Y156-V215 HydrophobicContact CG-CG1 3.47Å; Y156-V215 VanDerWaalsContact CG-CG1 3.47Å; T185-V215 HydrophobicContact CG2-CG2 4.4Å; V215-F217 HydrophobicContact CB-CE1 3.99Å; V215-F217 HydrophobicContact CB-CE2 4.45Å; V215-F217 HydrophobicContact CB-CZ 3.94Å; V215-F217 HydrophobicContact CG1-CD1 3.97Å; V215-F217 HydrophobicContact CG1-CE1 3.72Å; V215-F217 HydrophobicContact CG1-CZ 4.2Å; V215-A241 CarbonylContact O-C 3.57Å; V215-A241 WeakPolarHBondContact O-CA 3.44Å; V215-A241 WeakPolarHBondContact O-CB 3.35Å; V215-E242 PolarHBondContact N-OE2 2.91Å; V215-E242 PolarHBondContact O-N 2.78Å
216I95.4Very high86.6Confident0 Ų039.2 Ų39.20%025%0.248CC..EExtended strand (participates in β ladder)trans-83.2116.1167.2-55.1-173.6000108.5Y156 T157 S184 N188 I189 L219Y156-I216 WeakPolarHBondContact CB-O 3.36Å; T157-I216 HydrophobicContact CG2-CB 4.36Å; T157-I216 HydrophobicContact CG2-CG2 3.81Å; T157-I216 WeakPolarHBondContact CG2-O 3.19Å; S184-I216 PolarHBondContact O-N 2.85Å; N188-I216 WeakPolarHBondContact O-CD1 3.42Å; I189-I216 HydrophobicContact CD1-CD1 4.37Å; I189-I216 HydrophobicContact CG1-CD1 3.4Å; I189-I216 VanDerWaalsContact CG1-CD1 3.4Å; I216-L219 HydrophobicContact CG2-CD2 4.07Å; I216-L219 HydrophobicContact CG2-CG 4Å
217F94.9Very high84.9Confident31 Ų3141.2 Ų41.214%0.13625%0.248CC..EExtended strand (participates in β ladder)trans-91.8-32.3-175.1-69.8-60.2000113.6Y156 T157 V215 C240 E242 R286 I287 W288Y156-F217 HydrophobicContact CD1-CE1 4.43Å; T157-F217 WeakPolarHBondContact CB-O 3.45Å; V215-F217 HydrophobicContact CB-CE1 3.99Å; V215-F217 HydrophobicContact CB-CE2 4.45Å; V215-F217 HydrophobicContact CB-CZ 3.94Å; V215-F217 HydrophobicContact CG1-CD1 3.97Å; V215-F217 HydrophobicContact CG1-CE1 3.72Å; V215-F217 HydrophobicContact CG1-CZ 4.2Å; F217-C240 PolarHBondContact N-O 2.84Å; F217-E242 HydrophobicContact CE2-CB 3.7Å; F217-E242 HydrophobicContact CE2-CG 4.24Å; F217-E242 HydrophobicContact CZ-CB 4.26Å; F217-R286 HydrophobicContact CE2-CB 4.06Å; F217-R286 HydrophobicContact CE2-CG 4.14Å; F217-I287 WeakPolarHBondContact CB-O 3.37Å; F217-I287 WeakPolarHBondContact CD2-O 3.45Å; F217-W288 HydrophobicContact CB-CE3 4.42Å; F217-W288 AromaticContact CD1-CE3 4Å; F217-W288 HydrophobicContact CD1-CE3 4Å; F217-W288 AromaticContact CD1-CZ3 3.7Å; F217-W288 HydrophobicContact CD1-CZ3 3.7Å; F217-W288 HydrophobicContact CD2-CE3 4.35Å; F217-W288 HydrophobicContact CD2-CZ3 4.38Å; F217-W288 HydrophobicContact CE1-CE3 4.35Å; F217-W288 HydrophobicContact CE1-CH2 4.42Å; F217-W288 AromaticContact CE1-CZ3 3.62Å; F217-W288 HydrophobicContact CE1-CZ3 3.62Å; F217-W288 HydrophobicContact CE2-CZ3 4.29Å; F217-W288 HydrophobicContact CG-CE3 4.01Å; F217-W288 HydrophobicContact CG-CZ3 4.11Å; F217-W288 HydrophobicContact CZ-CH2 4.41Å; F217-W288 AromaticContact CZ-CZ3 3.93Å; F217-W288 HydrophobicContact CZ-CZ3 3.93Å
218S95.3Very high82.9Confident10 Ų1048 Ų487%0.0728%0.278CS..EExtended strand (participates in β ladder)trans-146.6142.6179.3-179.70000111.8S239 C240 W288 V290S218-S239 WeakPolarHBondContact O-CA 3.36Å; S218-C240 PolarHBondContact O-N 2.9Å; S218-C240 VanDerWaalsContact O-N 3.11Å; S218-W288 WeakPolarHBondContact CB-O 3.42Å; S218-V290 PolarHBondContact OG-N 3.42Å
219L94.8Very high80.8Confident7 Ų750.9 Ų50.94%0.03730%0.299CS..EExtended strand (participates in β ladder)trans-128.6137.3173.8-72171.5000108.9T157 I189 I216 L237 V238T157-L219 HydrophobicContact CG2-CB 4.3Å; T157-L219 HydrophobicContact CG2-CD1 3.8Å; T157-L219 HydrophobicContact CG2-CG 3.73Å; I189-L219 HydrophobicContact CD1-CD2 3.6Å; I189-L219 HydrophobicContact CG1-CD2 3.94Å; I189-L219 HydrophobicContact CG2-CD1 4.04Å; I189-L219 HydrophobicContact CG2-CD2 4.38Å; I216-L219 HydrophobicContact CG2-CD2 4.07Å; I216-L219 HydrophobicContact CG2-CG 4Å; L219-L237 HydrophobicContact CD2-CD1 4.46Å; L219-V238 WeakPolarHBondContact CA-O 3.5Å
220D94.4Very high78.7Confident29 Ų2953.1 Ų53.116%0.15532%0.315CS..EExtended strand (participates in β ladder)trans-141.8150.5172.3-166.920.6000110.8V238 R291 V292D220-V238 PolarHBondContact N-O 2.72Å; D220-V238 PolarHBondContact O-N 3.01Å; D220-R291 VanDerWaalsContact OD2-CA 3.22Å; D220-R291 WeakPolarHBondContact OD2-CA 3.38Å; D220-R291 WeakPolarHBondContact OD2-CD 3.47Å; D220-V292 HydrophobicContact CB-CG1 3.95Å; D220-V292 PolarHBondContact OD2-N 3.17Å
221L92Very high76.7Confident20 Ų2054.8 Ų54.811%0.10533%0.328CS..EExtended strand (participates in β ladder)trans-135.4122.9-172-178.476.4000110.3L161 F181 F235 R236 L237 W265L161-L221 HydrophobicContact CB-CD2 4.33Å; L161-L221 HydrophobicContact CD1-CD2 4.24Å; L161-L221 HydrophobicContact CD2-CD2 3.99Å; L161-L221 HydrophobicContact CG-CD2 4.42Å; F181-L221 HydrophobicContact CE2-CD2 4.02Å; F181-L221 HydrophobicContact CZ-CD2 4.26Å; L221-F235 HydrophobicContact CD1-CB 4.42Å; L221-F235 HydrophobicContact CD1-CD1 4.48Å; L221-F235 HydrophobicContact CD2-CD1 4.45Å; L221-F235 HydrophobicContact CG-CD1 4.43Å; L221-R236 WeakPolarHBondContact CA-O 3.2Å; L221-L237 HydrophobicContact CB-CD1 4.31Å; L221-L237 HydrophobicContact CD1-CB 3.83Å; L221-L237 HydrophobicContact CD1-CD1 4.11Å; L221-W265 HydrophobicContact CD1-CH2 3.72Å; L221-W265 HydrophobicContact CD1-CZ3 4.36Å
222C87.6Confident75.3Confident25 Ų2561 Ų6117%0.16935%0.349CS..EExtended strand (participates in β ladder)trans-123.8146.5175-177.90000111.1F235 R236 V292C222-F235 CarbonylContact O-C 3.54Å; C222-F235 WeakPolarHBondContact O-CA 3.27Å; C222-R236 PolarHBondContact N-O 2.86Å; C222-R236 PolarHBondContact O-N 2.84Å; C222-V292 HydrophobicContact CB-CB 4.35Å; C222-V292 HydrophobicContact CB-CG1 3.72Å; C222-V292 HydrophobicContact CB-CG2 4.06Å
223C82.6Confident74.4Confident49 Ų4964.7 Ų64.733%0.33137%0.365SS..EExtended strand (participates in β ladder)trans-98.8109.7167.6-171.50000108.3F235C223-F235 HydrophobicContact CB-CD1 3.81Å; C223-F235 HydrophobicContact CB-CE1 3.57Å; C223-F235 HydrophobicContact CB-CG 4.48Å; C223-F235 HydrophobicContact CB-CZ 4.03Å
224L73.5Confident74.1Confident17 Ų1758 Ų589%0.08934%0.339CS..EExtended strand (participates in β ladder)trans-75.3132.2-177.9-67.1179000111.1S234 R236 D294 W311L224-S234 PolarHBondContact N-O 3.13Å; L224-R236 HydrophobicContact CD1-CG 3.37Å; L224-R236 HydrophobicContact CG-CG 3.82Å; L224-D294 WeakPolarHBondContact CA-OD1 3.16Å; L224-D294 WeakPolarHBondContact CD2-OD1 3.35Å; L224-W311 HydrophobicContact CD1-CZ2 4.44Å
225G61.3Low74Confident41 Ų4157.5 Ų57.542%0.42333%0.329SS..PPolyproline II helixtrans-65.1153.2167.300000111.6E227 D294G225-E227 PolarHBondContact O-N 3.02Å; G225-D294 PolarHBondContact N-OD1 3.08Å
226S48.8Very low73.8Confident73 Ų7358.4 Ų58.451%0.5133%0.331SS..PPolyproline II helixtrans-53.2126.3-169.967.30000112.9Q228S226-Q228 PolarHBondContact O-N 3.26Å
227E46.7Very low73.7Confident121 Ų12158.4 Ų58.457%0.56533%0.331SS*.PPolyproline II helixtrans-54133.5158.8-72.7179.6-179.800108G225 S229 S230G225-E227 PolarHBondContact O-N 3.02Å; E227-S229 PolarHBondContact O-N 3.24Å; E227-S230 PolarHBondContact O-N 2.7Å
228Q47.2Very low73.7Confident189 Ų18957 Ų5788%0.88332%0.324SS*.THydrogen-bonded Turntrans-58-2.7-173.1-71.5-177-19.600115S226S226-Q228 PolarHBondContact O-N 3.26Å
229S48Very low73.8Confident110 Ų11056.5 Ų56.577%0.76932%0.321SS*.THydrogen-bonded Turntrans-114.3-6.6177.266.30000115.4E227E227-S229 PolarHBondContact O-N 3.24Å
230S46.5Very low73.8Confident56 Ų5656.1 Ų56.139%0.39232%0.319SS..  trans-147.6126.4176.476.90000113.2E227 K232E227-S230 PolarHBondContact O-N 2.7Å; S230-K232 PolarHBondContact O-N 2.86Å
231S48.9Very low73.8Confident120 Ų12054.8 Ų54.884%0.83931%0.312SS*.  trans-72.324.9-173.268.60000114.9
232K60Low73.8Confident160 Ų16057.9 Ų57.970%0.69633%0.326SS*.  trans-110.6110.2-174.8-68.7-176.4-178.9177.10110.1S230S230-K232 PolarHBondContact O-N 2.86Å
233K71.8Confident74Confident92 Ų9259.5 Ų59.540%0.433%0.333SS..  trans-63.1146.6166.1-70.2-178.2178.81800109A253K233-A253 HydrophobicContact CB-CB 3.82Å; K233-A253 WeakPolarHBondContact O-CB 3.39Å; K233-A253 PolarHBondContact O-N 2.79Å
234S82.7Confident74.4Confident22 Ų2263.4 Ų63.415%0.15434%0.34CS..EExtended strand (participates in β ladder)trans-138.8143.117566.20000110.6L224 T251L224-S234 PolarHBondContact N-O 3.13Å; S234-T251 CarbonylContact C-O 3.52Å; S234-T251 WeakPolarHBondContact CA-O 3.44Å
235F86.8Confident75.3Confident17 Ų1762.7 Ų62.78%0.07534%0.337CS..EExtended strand (participates in β ladder)trans-83137.7167.3-74.1-87.9000108.9L161 L221 C222 C223 S250 T251 A253 G257 V259 W265L161-F235 HydrophobicContact CD2-CE1 4.41Å; L221-F235 HydrophobicContact CD1-CB 4.42Å; L221-F235 HydrophobicContact CD1-CD1 4.48Å; L221-F235 HydrophobicContact CD2-CD1 4.45Å; L221-F235 HydrophobicContact CG-CD1 4.43Å; C222-F235 CarbonylContact O-C 3.54Å; C222-F235 WeakPolarHBondContact O-CA 3.27Å; C223-F235 HydrophobicContact CB-CD1 3.81Å; C223-F235 HydrophobicContact CB-CE1 3.57Å; C223-F235 HydrophobicContact CB-CG 4.48Å; C223-F235 HydrophobicContact CB-CZ 4.03Å; F235-S250 WeakPolarHBondContact O-CA 3.4Å; F235-S250 PolarHBondContact O-OG 3.27Å; F235-T251 HydrophobicContact CB-CG2 3.78Å; F235-T251 PolarHBondContact N-O 2.98Å; F235-T251 PolarHBondContact O-N 3.27Å; F235-A253 HydrophobicContact CD2-CB 3.69Å; F235-A253 HydrophobicContact CE2-CB 3.56Å; F235-G257 WeakPolarHBondContact CZ-O 3.44Å; F235-V259 HydrophobicContact CD2-CG2 3.4Å; F235-V259 VanDerWaalsContact CD2-CG2 3.4Å; F235-V259 HydrophobicContact CE2-CG2 3.14Å; F235-V259 HydrophobicContact CG-CG2 4.43Å; F235-V259 HydrophobicContact CZ-CG2 3.98Å; F235-W265 HydrophobicContact CB-CH2 4.36Å
236R90.7Very high76.8Confident38 Ų3860.8 Ų60.814%0.14332%0.317CS..EExtended strand (participates in β ladder)trans-118.4122.1171.1-61.8-63.6-163.8-159.25.5109.3L221 C222 L224 W249 S250L221-R236 WeakPolarHBondContact CA-O 3.2Å; C222-R236 PolarHBondContact N-O 2.86Å; C222-R236 PolarHBondContact O-N 2.84Å; L224-R236 HydrophobicContact CD1-CG 3.37Å; L224-R236 HydrophobicContact CG-CG 3.82Å; R236-W249 CarbonylContact C-O 3.51Å; R236-W249 VanDerWaalsContact CA-O 3.23Å; R236-W249 WeakPolarHBondContact CA-O 3.45Å; R236-S250 WeakPolarHBondContact CD-OG 3.34Å; R236-S250 PolarHBondContact NH1-OG 2.99Å
237L94Very high79Confident0 Ų057.3 Ų57.30%029%0.292CS..EExtended strand (participates in β ladder)trans-105.1123.2173.917573000108.4F181 I189 L209 L219 L221 W249 W265F181-L237 HydrophobicContact CD1-CD1 4.2Å; F181-L237 HydrophobicContact CD1-CD2 3.91Å; F181-L237 HydrophobicContact CE1-CD1 4.5Å; F181-L237 HydrophobicContact CE1-CD2 4.07Å; I189-L237 HydrophobicContact CD1-CD2 4.14Å; I189-L237 HydrophobicContact CG2-CD2 4.3Å; L209-L237 HydrophobicContact CD1-CD2 3.76Å; L219-L237 HydrophobicContact CD2-CD1 4.46Å; L221-L237 HydrophobicContact CB-CD1 4.31Å; L221-L237 HydrophobicContact CD1-CB 3.83Å; L221-L237 HydrophobicContact CD1-CD1 4.11Å; L237-W249 HydrophobicContact CB-CB 4.28Å; L237-W249 PolarHBondContact N-O 2.89Å; L237-W249 PolarHBondContact O-N 3.08Å; L237-W265 HydrophobicContact CB-CE3 4.09Å; L237-W265 HydrophobicContact CB-CH2 3.75Å; L237-W265 HydrophobicContact CB-CZ3 3.35Å; L237-W265 HydrophobicContact CD2-CH2 4.45Å; L237-W265 HydrophobicContact CD2-CZ3 4.36Å; L237-W265 HydrophobicContact CG-CZ3 4.49Å
238V95.2Very high81.2Confident0 Ų051.5 Ų51.50%027%0.265CS..EExtended strand (participates in β ladder)trans-115.1137.6-178.8-176.60000109.5L219 D220 I246 A247 I248 V290 V292 V297L219-V238 WeakPolarHBondContact CA-O 3.5Å; D220-V238 PolarHBondContact N-O 2.72Å; D220-V238 PolarHBondContact O-N 3.01Å; V238-I246 HydrophobicContact CG1-CG2 3.62Å; V238-A247 WeakPolarHBondContact CA-O 3.22Å; V238-I248 HydrophobicContact CG1-CG1 4.36Å; V238-I248 HydrophobicContact CG2-CG1 4.16Å; V238-I248 HydrophobicContact CG2-CG2 4.22Å; V238-V290 HydrophobicContact CG1-CB 4.19Å; V238-V290 HydrophobicContact CG1-CG1 4.39Å; V238-V290 HydrophobicContact CG1-CG2 4.26Å; V238-V292 HydrophobicContact CB-CB 4.29Å; V238-V292 HydrophobicContact CB-CG1 4.38Å; V238-V292 HydrophobicContact CG2-CB 3.71Å; V238-V292 HydrophobicContact CG2-CG1 4.03Å; V238-V292 HydrophobicContact CG2-CG2 3.73Å; V238-V297 HydrophobicContact CG1-CG1 3.88Å; V238-V297 HydrophobicContact CG1-CG2 4.44Å; V238-V297 HydrophobicContact CG2-CG2 4.04Å
239S96.1Very high83.4Confident0 Ų043.5 Ų43.50%023%0.227CC..EExtended strand (participates in β ladder)trans-136.1140.8-175.6520000111Q212 S218 I246 A247Q212-S239 PolarHBondContact NE2-O 2.84Å; Q212-S239 VanDerWaalsContact NE2-O 3.15Å; Q212-S239 PolarHBondContact OE1-OG 3.41Å; Q212-S239 VanDerWaalsContact OE1-OG 3.09Å; S218-S239 WeakPolarHBondContact O-CA 3.36Å; S239-I246 CarbonylContact O-C 3.44Å; S239-I246 VanDerWaalsContact O-CA 3.27Å; S239-I246 WeakPolarHBondContact O-CA 2.95Å; S239-A247 PolarHBondContact N-O 2.96Å; S239-A247 PolarHBondContact O-N 2.97Å; S239-A247 WeakPolarHBondContact OG-CB 3.23Å; S239-A247 PolarHBondContact OG-O 3.06Å; S239-A247 VanDerWaalsContact OG-O 3.05Å
240C95Very high85.4Confident0 Ų038.8 Ų38.80%019%0.194CC..EExtended strand (participates in β ladder)trans-125.9146.8171.271.40000112F217 S218 S245 I246 I287 V290F217-C240 PolarHBondContact N-O 2.84Å; S218-C240 PolarHBondContact O-N 2.9Å; S218-C240 VanDerWaalsContact O-N 3.11Å; C240-S245 WeakPolarHBondContact CA-O 3.38Å; C240-I246 HydrophobicContact CB-CG1 4.37Å; C240-I287 HydrophobicContact CB-CB 3.81Å; C240-I287 HydrophobicContact CB-CD1 4.48Å; C240-I287 HydrophobicContact CB-CG2 3.52Å; C240-I287 PolarHBondContact SG-O 2.85Å; C240-I287 VanDerWaalsContact SG-O 3.39Å; C240-V290 HydrophobicContact CB-CG1 3.56Å; C240-V290 HydrophobicContact CB-CG2 4.32Å
241A93.8Very high87.5Confident0 Ų036.2 Ų36.20%018%0.176CC..EExtended strand (participates in β ladder)trans-136.8169.5-17100000113.5Q212 V215 D243 R244 S245Q212-A241 HydrophobicContact CB-CB 3.84Å; Q212-A241 HydrophobicContact CG-CB 4.35Å; V215-A241 CarbonylContact O-C 3.57Å; V215-A241 WeakPolarHBondContact O-CA 3.44Å; V215-A241 WeakPolarHBondContact O-CB 3.35Å; A241-D243 WeakPolarHBondContact CB-OD1 3.2Å; A241-D243 PolarHBondContact O-N 2.81Å; A241-R244 PolarHBondContact O-N 3.27Å; A241-S245 PolarHBondContact N-O 2.81Å
242E93.4Very high89.1Confident86 Ų8634.1 Ų34.140%0.40216%0.16SC..THydrogen-bonded Turntrans-58.5-29.4175.9-171.1177.6-172.800113.5V215 F217 R244 R286V215-E242 PolarHBondContact N-OE2 2.91Å; V215-E242 PolarHBondContact O-N 2.78Å; F217-E242 HydrophobicContact CE2-CB 3.7Å; F217-E242 HydrophobicContact CE2-CG 4.24Å; F217-E242 HydrophobicContact CZ-CB 4.26Å; E242-R244 PolarHBondContact O-N 3.15Å; E242-R244 VanDerWaalsContact O-N 3.07Å; E242-R286 HydrophobicContact CG-CG 3.94Å
243D90.9Very high89.7Confident59 Ų5927.1 Ų27.132%0.31613%0.132SC..THydrogen-bonded Turntrans-72.58.6176.473.1-4.1000114.8K213 A241 S245K213-D243 HydrophobicContact CB-CB 4.09Å; K213-D243 PolarHBondContact N-OD2 2.96Å; K213-D243 VanDerWaalsContact O-CB 3.3Å; K213-D243 WeakPolarHBondContact O-CB 3.38Å; K213-D243 PolarHBondContact O-N 2.8Å; A241-D243 WeakPolarHBondContact CB-OD1 3.2Å; A241-D243 PolarHBondContact O-N 2.81Å; D243-S245 VanDerWaalsContact CG-OG 3.28Å; D243-S245 PolarHBondContact O-N 2.89Å; D243-S245 VanDerWaalsContact OD1-CB 3.25Å; D243-S245 WeakPolarHBondContact OD1-CB 3.26Å; D243-S245 PolarHBondContact OD1-N 2.87Å; D243-S245 VanDerWaalsContact OD1-N 3.08Å; D243-S245 PolarHBondContact OD1-OG 3.1Å; D243-S245 PolarHBondContact OD2-OG 3.44Å
244R91.6Very high89.5Confident131 Ų13124.6 Ų24.649%0.49412%0.122SC..SBendtrans67.321.6175.8-36.9175.3-163.61690.5113A241 E242 F283 E284 S285A241-R244 PolarHBondContact O-N 3.27Å; E242-R244 PolarHBondContact O-N 3.15Å; E242-R244 VanDerWaalsContact O-N 3.07Å; R244-F283 HydrophobicContact CB-CB 4.41Å; R244-E284 VanDerWaalsContact CZ-O 3.23Å; R244-E284 PolarHBondContact NE-O 3.07Å; R244-E284 PolarHBondContact NH1-O 2.91Å; R244-E284 VanDerWaalsContact NH1-O 3.11Å; R244-S285 WeakPolarHBondContact CG-O 3.14Å
245S91.7Very high88.3Confident1 Ų128.6 Ų28.61%0.00715%0.151CC..  trans-103.1155.3177.1740000112.6Q212 C240 A241 D243 L271Q212-S245 WeakPolarHBondContact CG-OG 3.39Å; Q212-S245 PolarHBondContact NE2-O 2.88Å; Q212-S245 PolarHBondContact NE2-OG 2.83Å; C240-S245 WeakPolarHBondContact CA-O 3.38Å; A241-S245 PolarHBondContact N-O 2.81Å; D243-S245 VanDerWaalsContact CG-OG 3.28Å; D243-S245 PolarHBondContact O-N 2.89Å; D243-S245 VanDerWaalsContact OD1-CB 3.25Å; D243-S245 WeakPolarHBondContact OD1-CB 3.26Å; D243-S245 PolarHBondContact OD1-N 2.87Å; D243-S245 VanDerWaalsContact OD1-N 3.08Å; D243-S245 PolarHBondContact OD1-OG 3.1Å; D243-S245 PolarHBondContact OD2-OG 3.44Å; S245-L271 CarbonylContact C-O 3.52Å; S245-L271 VanDerWaalsContact CA-O 3.29Å; S245-L271 WeakPolarHBondContact CA-O 3.49Å
246I93.6Very high86.8Confident1 Ų133.9 Ų33.91%0.00518%0.18CC..EExtended strand (participates in β ladder)trans-120.4120.4166.6-56.8167.9000108.2V238 S239 C240 I248 L271 F283 I287 V290 A299 Y309V238-I246 HydrophobicContact CG1-CG2 3.62Å; S239-I246 CarbonylContact O-C 3.44Å; S239-I246 VanDerWaalsContact O-CA 3.27Å; S239-I246 WeakPolarHBondContact O-CA 2.95Å; C240-I246 HydrophobicContact CB-CG1 4.37Å; I246-I248 HydrophobicContact CG2-CG1 4.45Å; I246-L271 HydrophobicContact CB-CB 4.2Å; I246-L271 HydrophobicContact CB-CD1 4.29Å; I246-L271 HydrophobicContact CG2-CD1 4.44Å; I246-L271 PolarHBondContact N-O 3.45Å; I246-L271 PolarHBondContact O-N 2.67Å; I246-F283 HydrophobicContact CD1-CE2 4.26Å; I246-I287 HydrophobicContact CD1-CD1 4.24Å; I246-I287 HydrophobicContact CG1-CD1 3.73Å; I246-V290 HydrophobicContact CG2-CG1 4.49Å; I246-A299 HydrophobicContact CD1-CB 3.53Å; I246-Y309 HydrophobicContact CD1-CD2 4.49Å; I246-Y309 HydrophobicContact CD1-CE2 3.7Å
247A93.9Very high85.1Confident0 Ų033.3 Ų33.30%019%0.186CC..EExtended strand (participates in β ladder)trans-106.4129.517600000110.9A211 Q212 V238 S239 L267A211-A247 HydrophobicContact CB-CB 4.19Å; Q212-A247 HydrophobicContact CG-CB 3.85Å; V238-A247 WeakPolarHBondContact CA-O 3.22Å; S239-A247 PolarHBondContact N-O 2.96Å; S239-A247 PolarHBondContact O-N 2.97Å; S239-A247 WeakPolarHBondContact OG-CB 3.23Å; S239-A247 PolarHBondContact OG-O 3.06Å; S239-A247 VanDerWaalsContact OG-O 3.05Å; A247-L267 HydrophobicContact CB-CD1 3.97Å
248I94Very high83.3Confident0 Ų034.5 Ų34.50%020%0.197CC..EExtended strand (participates in β ladder)trans-114.1114.4-179-53.9-177.3000108.5V238 I246 V268 Y269 L271 V297 W311 I314V238-I248 HydrophobicContact CG1-CG1 4.36Å; V238-I248 HydrophobicContact CG2-CG1 4.16Å; V238-I248 HydrophobicContact CG2-CG2 4.22Å; I246-I248 HydrophobicContact CG2-CG1 4.45Å; I248-V268 PolarHBondContact O-N 2.98Å; I248-Y269 HydrophobicContact CB-CD2 4.48Å; I248-Y269 HydrophobicContact CD1-CD2 4.1Å; I248-Y269 HydrophobicContact CD1-CG 4.47Å; I248-Y269 PolarHBondContact N-O 3.44Å; I248-Y269 PolarHBondContact O-N 2.95Å; I248-L271 HydrophobicContact CD1-CD1 4.28Å; I248-V297 HydrophobicContact CD1-CG2 3.91Å; I248-W311 HydrophobicContact CD1-CH2 4.13Å; I248-W311 HydrophobicContact CD1-CZ3 3.9Å; I248-W311 HydrophobicContact CG2-CH2 4.08Å; I248-W311 HydrophobicContact CG2-CZ3 4.28Å; I248-I314 HydrophobicContact CD1-CD1 4.16Å
249W93.2Very high81.6Confident21 Ų2135.4 Ų35.48%0.0820%0.203CC..EExtended strand (participates in β ladder)trans-107.5154178.5-5586.1000110.9L209 A211 R236 L237 W265 E266 L267L209-W249 HydrophobicContact CB-CD2 4.35Å; L209-W249 HydrophobicContact CB-CH2 3.98Å; L209-W249 HydrophobicContact CB-CZ2 3.72Å; L209-W249 HydrophobicContact CB-CZ3 4.38Å; L209-W249 HydrophobicContact CD1-CB 4.43Å; L209-W249 HydrophobicContact CD1-CD2 3.89Å; L209-W249 HydrophobicContact CD1-CE3 4.29Å; L209-W249 HydrophobicContact CD1-CG 3.94Å; L209-W249 HydrophobicContact CD2-CE3 4.19Å; L209-W249 HydrophobicContact CD2-CZ3 4.19Å; A211-W249 HydrophobicContact CB-CH2 3.91Å; A211-W249 HydrophobicContact CB-CZ2 3.36Å; R236-W249 CarbonylContact C-O 3.51Å; R236-W249 VanDerWaalsContact CA-O 3.23Å; R236-W249 WeakPolarHBondContact CA-O 3.45Å; L237-W249 HydrophobicContact CB-CB 4.28Å; L237-W249 PolarHBondContact N-O 2.89Å; L237-W249 PolarHBondContact O-N 3.08Å; W249-W265 HydrophobicContact CB-CE3 3.72Å; W249-W265 HydrophobicContact CB-CZ3 4.37Å; W249-W265 HydrophobicContact CE3-CB 4.37Å; W249-E266 CarbonylContact C-O 3.58Å; W249-E266 VanDerWaalsContact CA-O 3.23Å; W249-E266 WeakPolarHBondContact CA-O 3.13Å; W249-L267 HydrophobicContact CD2-CB 4.32Å; W249-L267 HydrophobicContact CD2-CD1 3.88Å; W249-L267 HydrophobicContact CE3-CB 3.76Å; W249-L267 HydrophobicContact CE3-CD1 4.19Å; W249-L267 HydrophobicContact CG-CD1 4.42Å; W249-L267 HydrophobicContact CH2-CB 4.12Å; W249-L267 HydrophobicContact CH2-CD1 4.23Å; W249-L267 HydrophobicContact CZ2-CD1 3.94Å; W249-L267 HydrophobicContact CZ3-CB 3.64Å; W249-L267 HydrophobicContact CZ3-CD1 4.36Å; W249-L267 HydrophobicContact CZ3-CG 4.5Å
250S90.4Very high79.6Confident11 Ų1143.8 Ų43.88%0.07724%0.24CC..EExtended strand (participates in β ladder)trans-140.2147.8176.2-167.10000114.8F235 R236 W265 E266F235-S250 WeakPolarHBondContact O-CA 3.4Å; F235-S250 PolarHBondContact O-OG 3.27Å; R236-S250 WeakPolarHBondContact CD-OG 3.34Å; R236-S250 PolarHBondContact NH1-OG 2.99Å; S250-W265 CarbonylContact O-C 3.58Å; S250-W265 WeakPolarHBondContact O-CA 3.23Å; S250-E266 PolarHBondContact N-O 3.3Å; S250-E266 PolarHBondContact O-N 3.35Å
251T88.9Confident78.1Confident1 Ų148.2 Ų48.21%0.00626%0.263CS..EExtended strand (participates in β ladder)trans-137.7139.8171-170.40000110.2S234 F235 F264 W265S234-T251 CarbonylContact C-O 3.52Å; S234-T251 WeakPolarHBondContact CA-O 3.44Å; F235-T251 HydrophobicContact CB-CG2 3.78Å; F235-T251 PolarHBondContact N-O 2.98Å; F235-T251 PolarHBondContact O-N 3.27Å; T251-F264 WeakPolarHBondContact CB-O 3.42Å; T251-F264 PolarHBondContact OG1-O 2.81Å; T251-W265 HydrophobicContact CG2-CD2 4.11Å; T251-W265 HydrophobicContact CG2-CE3 4.08Å; T251-W265 HydrophobicContact CG2-CH2 3.73Å; T251-W265 HydrophobicContact CG2-CZ2 3.73Å; T251-W265 HydrophobicContact CG2-CZ3 3.89Å
252P83Confident77.1Confident77 Ų7749.4 Ų49.450%0.527%0.268SS..EExtended strand (participates in β ladder)trans-66.4140.7179.226.2-33.7000111.9
253A74.1Confident75.9Confident13 Ų1348.5 Ų48.511%0.10727%0.272CS..PPolyproline II helixtrans-100.8153.4173.400000111.3K233 F235K233-A253 HydrophobicContact CB-CB 3.82Å; K233-A253 WeakPolarHBondContact O-CB 3.39Å; K233-A253 PolarHBondContact O-N 2.79Å; F235-A253 HydrophobicContact CD2-CB 3.69Å; F235-A253 HydrophobicContact CE2-CB 3.56Å
254D66.7Low75.4Confident38 Ų3851.5 Ų51.520%0.20328%0.282CS..PPolyproline II helixtrans-71160.6170.2-71.6-32.4000111.8N256 G257 G258 K260D254-N256 PolarHBondContact O-N 3.07Å; D254-G257 PolarHBondContact O-N 2.82Å; D254-G258 WeakPolarHBondContact CA-O 3.43Å; D254-G258 VanDerWaalsContact CB-O 3.23Å; D254-G258 WeakPolarHBondContact CB-O 3.15Å; D254-G258 PolarHBondContact N-O 2.87Å; D254-K260 VanDerWaalsContact OD1-CB 3.32Å; D254-K260 WeakPolarHBondContact OD1-CB 3.23Å; D254-K260 WeakPolarHBondContact OD1-CD 3.31Å; D254-K260 WeakPolarHBondContact OD1-CE 3.36Å; D254-K260 WeakPolarHBondContact OD1-CG 3.37Å; D254-K260 IonicContact OD1-NZ 2.75Å; D254-K260 PolarHBondContact OD1-NZ 2.76Å; D254-K260 WeakPolarHBondContact OD2-CA 3.14Å; D254-K260 WeakPolarHBondContact OD2-CG 3.17Å; D254-K260 PolarHBondContact OD2-N 3.43Å
255S57.6Low75.3Confident107 Ų10746.1 Ų46.175%0.74826%0.262SS*.THydrogen-bonded Turntrans-52.5-31.9176.353.50000112.8G257S255-G257 VanDerWaalsContact C-N 3.3Å; S255-G257 PolarHBondContact O-N 3.01Å
256N54.5Low75.2Confident128 Ų12851.9 Ų51.968%0.68429%0.289SS*.THydrogen-bonded Turntrans-88.69-180-64.97.2000113.1D254 G258D254-N256 PolarHBondContact O-N 3.07Å; N256-G258 PolarHBondContact O-N 3.35Å
257G55.3Low75.1Confident26 Ų2655.1 Ų55.127%0.26831%0.305SS..SBendtrans73.8-3.2-175.500000114.6F235 D254 S255F235-G257 WeakPolarHBondContact CZ-O 3.44Å; D254-G257 PolarHBondContact O-N 2.82Å; S255-G257 VanDerWaalsContact C-N 3.3Å; S255-G257 PolarHBondContact O-N 3.01Å
258G56Low74.8Confident24 Ų2457.5 Ų57.525%0.24732%0.32CS..  trans-69.1164.5166.300000111.1D254 N256D254-G258 WeakPolarHBondContact CA-O 3.43Å; D254-G258 VanDerWaalsContact CB-O 3.23Å; D254-G258 WeakPolarHBondContact CB-O 3.15Å; D254-G258 PolarHBondContact N-O 2.87Å; N256-G258 PolarHBondContact O-N 3.35Å
259V59.1Low74.5Confident19 Ų1960.6 Ų60.612%0.11533%0.332CS..  trans-107.5126.1174.4177.30000109.3F235 D261 F262F235-V259 HydrophobicContact CD2-CG2 3.4Å; F235-V259 VanDerWaalsContact CD2-CG2 3.4Å; F235-V259 HydrophobicContact CE2-CG2 3.14Å; F235-V259 HydrophobicContact CG-CG2 4.43Å; F235-V259 HydrophobicContact CZ-CG2 3.98Å; V259-D261 VanDerWaalsContact C-N 3.34Å; V259-F262 HydrophobicContact CB-CD2 3.45Å; V259-F262 VanDerWaalsContact CB-CD2 3.45Å; V259-F262 HydrophobicContact CB-CE1 4.38Å; V259-F262 HydrophobicContact CB-CE2 3.15Å; V259-F262 HydrophobicContact CB-CG 4.24Å; V259-F262 HydrophobicContact CB-CZ 3.68Å; V259-F262 HydrophobicContact CG1-CB 4.45Å; V259-F262 HydrophobicContact CG1-CD1 4.13Å; V259-F262 HydrophobicContact CG1-CD2 3.38Å; V259-F262 HydrophobicContact CG1-CE1 4.27Å; V259-F262 HydrophobicContact CG1-CE2 3.6Å; V259-F262 HydrophobicContact CG1-CG 3.71Å; V259-F262 HydrophobicContact CG1-CZ 4.04Å; V259-F262 HydrophobicContact CG2-CD2 3.99Å; V259-F262 HydrophobicContact CG2-CE1 3.91Å; V259-F262 HydrophobicContact CG2-CE2 3.25Å; V259-F262 HydrophobicContact CG2-CZ 3.2Å
260K55Low74.2Confident177 Ų17761.4 Ų61.477%0.7734%0.338SS*.SBendtrans-61-44.5178.8-124.3164.8-150.5162.30111.4D254D254-K260 VanDerWaalsContact OD1-CB 3.32Å; D254-K260 WeakPolarHBondContact OD1-CB 3.23Å; D254-K260 WeakPolarHBondContact OD1-CD 3.31Å; D254-K260 WeakPolarHBondContact OD1-CE 3.36Å; D254-K260 WeakPolarHBondContact OD1-CG 3.37Å; D254-K260 IonicContact OD1-NZ 2.75Å; D254-K260 PolarHBondContact OD1-NZ 2.76Å; D254-K260 WeakPolarHBondContact OD2-CA 3.14Å; D254-K260 WeakPolarHBondContact OD2-CG 3.17Å; D254-K260 PolarHBondContact OD2-N 3.43Å
261D64Low74Confident93 Ų9361.8 Ų61.850%0.49734%0.339SS..  trans-158.7120.7173.9-162.6-3.6000111.9V259 S263V259-D261 VanDerWaalsContact C-N 3.34Å; D261-S263 PolarHBondContact O-N 2.77Å; D261-S263 VanDerWaalsContact OD1-CB 3.27Å; D261-S263 WeakPolarHBondContact OD1-CB 3.41Å; D261-S263 PolarHBondContact OD1-N 3.2Å; D261-S263 VanDerWaalsContact OD1-N 3.08Å; D261-S263 PolarHBondContact OD1-OG 2.85Å; D261-S263 VanDerWaalsContact OD1-OG 3.12Å; D261-S263 WeakPolarHBondContact OD2-CB 3.17Å; D261-S263 PolarHBondContact OD2-OG 2.9Å
262F71.2Confident73.5Confident25 Ų2567 Ų6711%0.1136%0.362CS..THydrogen-bonded Turntrans-80.62.8175.7-87-82.1000113.1L161 F163 I179 F181 V259 F264 W265L161-F262 HydrophobicContact CD2-CE1 4.2Å; L161-F262 HydrophobicContact CD2-CE2 4.35Å; L161-F262 HydrophobicContact CD2-CZ 3.49Å; L161-F262 VanDerWaalsContact CD2-CZ 3.49Å; F163-F262 HydrophobicContact CE1-CD2 4.49Å; F163-F262 AromaticContact CE1-CE2 3.71Å; F163-F262 HydrophobicContact CE1-CE2 3.71Å; F163-F262 HydrophobicContact CE1-CZ 4.5Å; F163-F262 HydrophobicContact CZ-CE2 4.05Å; I179-F262 HydrophobicContact CD1-CB 4.05Å; I179-F262 HydrophobicContact CD1-CD1 3.94Å; I179-F262 HydrophobicContact CD1-CD2 2.96Å; I179-F262 HydrophobicContact CD1-CE1 4.08Å; I179-F262 HydrophobicContact CD1-CE2 3.09Å; I179-F262 HydrophobicContact CD1-CG 3.39Å; I179-F262 HydrophobicContact CD1-CZ 3.67Å; I179-F262 HydrophobicContact CG1-CD2 4.47Å; I179-F262 HydrophobicContact CG1-CE2 4.49Å; F181-F262 HydrophobicContact CZ-CD1 4.5Å; F181-F262 HydrophobicContact CZ-CE1 4.22Å; V259-F262 HydrophobicContact CB-CD2 3.45Å; V259-F262 VanDerWaalsContact CB-CD2 3.45Å; V259-F262 HydrophobicContact CB-CE1 4.38Å; V259-F262 HydrophobicContact CB-CE2 3.15Å; V259-F262 HydrophobicContact CB-CG 4.24Å; V259-F262 HydrophobicContact CB-CZ 3.68Å; V259-F262 HydrophobicContact CG1-CB 4.45Å; V259-F262 HydrophobicContact CG1-CD1 4.13Å; V259-F262 HydrophobicContact CG1-CD2 3.38Å; V259-F262 HydrophobicContact CG1-CE1 4.27Å; V259-F262 HydrophobicContact CG1-CE2 3.6Å; V259-F262 HydrophobicContact CG1-CG 3.71Å; V259-F262 HydrophobicContact CG1-CZ 4.04Å; V259-F262 HydrophobicContact CG2-CD2 3.99Å; V259-F262 HydrophobicContact CG2-CE1 3.91Å; V259-F262 HydrophobicContact CG2-CE2 3.25Å; V259-F262 HydrophobicContact CG2-CZ 3.2Å; F262-F264 PolarHBondContact O-N 2.97Å; F262-W265 AromaticContact CD1-CZ2 3.74Å; F262-W265 HydrophobicContact CD1-CZ2 3.74Å; F262-W265 AromaticContact CE1-CZ2 3.87Å; F262-W265 HydrophobicContact CE1-CZ2 3.87Å; F262-W265 PolarHBondContact O-NE1 2.91Å
263S69.5Low72.5Confident67 Ų6766.2 Ų66.247%0.46936%0.361SS..THydrogen-bonded Turntrans-69.1-15.7177.670.20000113.7D261D261-S263 PolarHBondContact O-N 2.77Å; D261-S263 VanDerWaalsContact OD1-CB 3.27Å; D261-S263 WeakPolarHBondContact OD1-CB 3.41Å; D261-S263 PolarHBondContact OD1-N 3.2Å; D261-S263 VanDerWaalsContact OD1-N 3.08Å; D261-S263 PolarHBondContact OD1-OG 2.85Å; D261-S263 VanDerWaalsContact OD1-OG 3.12Å; D261-S263 WeakPolarHBondContact OD2-CB 3.17Å; D261-S263 PolarHBondContact OD2-OG 2.9Å
264F80.9Confident71.5Confident121 Ų12168.9 Ų68.953%0.53139%0.39SS..  trans-121.8125.7-175.2-174.1-96.5000112.2T251 F262 E266T251-F264 WeakPolarHBondContact CB-O 3.42Å; T251-F264 PolarHBondContact OG1-O 2.81Å; F262-F264 PolarHBondContact O-N 2.97Å; F264-E266 HydrophobicContact CE1-CB 4.21Å; F264-E266 HydrophobicContact CZ-CB 4.48Å
265W88.9Confident70.7Confident19 Ų1968.1 Ų68.17%0.07239%0.388CS..  trans-136.9130.7173.8-71.479.9000109.7F181 I191 L207 L209 L221 F235 L237 W249 S250 T251 F262F181-W265 HydrophobicContact CE1-CH2 4.14Å; F181-W265 AromaticContact CE1-CZ2 3.59Å; F181-W265 HydrophobicContact CE1-CZ2 3.59Å; F181-W265 HydrophobicContact CZ-CH2 4.31Å; F181-W265 AromaticContact CZ-CZ2 3.8Å; F181-W265 HydrophobicContact CZ-CZ2 3.8Å; I191-W265 HydrophobicContact CD1-CG 4.47Å; I191-W265 HydrophobicContact CD1-CZ2 4.48Å; L207-W265 HydrophobicContact CD2-CB 4.49Å; L207-W265 VanDerWaalsContact CD2-CD1 3.5Å; L207-W265 HydrophobicContact CD2-CG 4.32Å; L209-W265 HydrophobicContact CD1-CB 4.3Å; L209-W265 HydrophobicContact CD1-CD2 4.43Å; L209-W265 HydrophobicContact CD1-CG 4.22Å; L209-W265 HydrophobicContact CD2-CB 3.73Å; L209-W265 HydrophobicContact CD2-CG 4.14Å; L221-W265 HydrophobicContact CD1-CH2 3.72Å; L221-W265 HydrophobicContact CD1-CZ3 4.36Å; F235-W265 HydrophobicContact CB-CH2 4.36Å; L237-W265 HydrophobicContact CB-CE3 4.09Å; L237-W265 HydrophobicContact CB-CH2 3.75Å; L237-W265 HydrophobicContact CB-CZ3 3.35Å; L237-W265 HydrophobicContact CD2-CH2 4.45Å; L237-W265 HydrophobicContact CD2-CZ3 4.36Å; L237-W265 HydrophobicContact CG-CZ3 4.49Å; W249-W265 HydrophobicContact CB-CE3 3.72Å; W249-W265 HydrophobicContact CB-CZ3 4.37Å; W249-W265 HydrophobicContact CE3-CB 4.37Å; S250-W265 CarbonylContact O-C 3.58Å; S250-W265 WeakPolarHBondContact O-CA 3.23Å; T251-W265 HydrophobicContact CG2-CD2 4.11Å; T251-W265 HydrophobicContact CG2-CE3 4.08Å; T251-W265 HydrophobicContact CG2-CH2 3.73Å; T251-W265 HydrophobicContact CG2-CZ2 3.73Å; T251-W265 HydrophobicContact CG2-CZ3 3.89Å; F262-W265 AromaticContact CD1-CZ2 3.74Å; F262-W265 HydrophobicContact CD1-CZ2 3.74Å; F262-W265 AromaticContact CE1-CZ2 3.87Å; F262-W265 HydrophobicContact CE1-CZ2 3.87Å; F262-W265 PolarHBondContact O-NE1 2.91Å
266E89.4Confident70.2Confident122 Ų12271 Ų7157%0.5739%0.393SS*.EExtended strand (participates in β ladder)trans-105.6132.7178-174.7177.2-178.400110.3W249 S250 F264 V268W249-E266 CarbonylContact C-O 3.58Å; W249-E266 VanDerWaalsContact CA-O 3.23Å; W249-E266 WeakPolarHBondContact CA-O 3.13Å; S250-E266 PolarHBondContact N-O 3.3Å; S250-E266 PolarHBondContact O-N 3.35Å; F264-E266 HydrophobicContact CE1-CB 4.21Å; F264-E266 HydrophobicContact CZ-CB 4.48Å; E266-V268 PolarHBondContact O-N 3.41Å
267L90.6Very high69.9Low68 Ų6870.8 Ų70.836%0.35639%0.386SS..EExtended strand (participates in β ladder)trans-77.6110.4173.8-177.367.9000109.4A211 A247 W249 N270A211-L267 HydrophobicContact CB-CD1 4.18Å; A211-L267 HydrophobicContact CB-CD2 3.99Å; A247-L267 HydrophobicContact CB-CD1 3.97Å; W249-L267 HydrophobicContact CD2-CB 4.32Å; W249-L267 HydrophobicContact CD2-CD1 3.88Å; W249-L267 HydrophobicContact CE3-CB 3.76Å; W249-L267 HydrophobicContact CE3-CD1 4.19Å; W249-L267 HydrophobicContact CG-CD1 4.42Å; W249-L267 HydrophobicContact CH2-CB 4.12Å; W249-L267 HydrophobicContact CH2-CD1 4.23Å; W249-L267 HydrophobicContact CZ2-CD1 3.94Å; W249-L267 HydrophobicContact CZ3-CB 3.64Å; W249-L267 HydrophobicContact CZ3-CD1 4.36Å; W249-L267 HydrophobicContact CZ3-CG 4.5Å; L267-N270 HydrophobicContact CD2-CB 4.29Å
268V88Confident69.7Low50 Ų5071.2 Ų71.230%0.30338%0.382SS..EExtended strand (participates in β ladder)trans-86.8-46-177.4-1700000111I248 E266I248-V268 PolarHBondContact O-N 2.98Å; E266-V268 PolarHBondContact O-N 3.41Å
269Y87.4Confident69.3Low66 Ų6677.7 Ų77.726%0.25942%0.417SS..EExtended strand (participates in β ladder)trans-138.1141.7179.4-61.9-77.1000110.9I248 I314I248-Y269 HydrophobicContact CB-CD2 4.48Å; I248-Y269 HydrophobicContact CD1-CD2 4.1Å; I248-Y269 HydrophobicContact CD1-CG 4.47Å; I248-Y269 PolarHBondContact N-O 3.44Å; I248-Y269 PolarHBondContact O-N 2.95Å; Y269-I314 HydrophobicContact CD1-CD1 4.07Å; Y269-I314 HydrophobicContact CD2-CD1 3.56Å; Y269-I314 HydrophobicContact CE1-CD1 4.15Å; Y269-I314 HydrophobicContact CE1-CG2 3.86Å; Y269-I314 HydrophobicContact CE2-CD1 3.64Å; Y269-I314 HydrophobicContact CG-CD1 3.79Å
270N87.5Confident69.3Low37 Ų3779.7 Ų79.720%0.19843%0.432CS..EExtended strand (participates in β ladder)trans-127.292.2166.9-173.6-10.9000108.1L267 K272L267-N270 HydrophobicContact CD2-CB 4.29Å; N270-K272 PolarHBondContact O-N 3.26Å
271L86.5Confident69.7Low20 Ų2074.7 Ų74.711%0.10542%0.416CS..EExtended strand (participates in β ladder)trans-81100.2-175-51.9173.1000108S245 I246 I248 Y309 I314S245-L271 CarbonylContact C-O 3.52Å; S245-L271 VanDerWaalsContact CA-O 3.29Å; S245-L271 WeakPolarHBondContact CA-O 3.49Å; I246-L271 HydrophobicContact CB-CB 4.2Å; I246-L271 HydrophobicContact CB-CD1 4.29Å; I246-L271 HydrophobicContact CG2-CD1 4.44Å; I246-L271 PolarHBondContact N-O 3.45Å; I246-L271 PolarHBondContact O-N 2.67Å; I248-L271 HydrophobicContact CD1-CD1 4.28Å; L271-Y309 HydrophobicContact CD1-CD1 3.75Å; L271-Y309 HydrophobicContact CD1-CD2 4.22Å; L271-Y309 HydrophobicContact CD1-CE1 3.7Å; L271-Y309 HydrophobicContact CD1-CE2 4.15Å; L271-Y309 HydrophobicContact CD1-CG 4.03Å; L271-I314 HydrophobicContact CD2-CG1 4.34Å
272K78.8Confident70.5Confident111 Ų11171.4 Ų71.448%0.48340%0.398SS..  trans-142.3157.8178.565-177.9179.9-1770110N270 G274 S275N270-K272 PolarHBondContact O-N 3.26Å; K272-G274 PolarHBondContact O-N 3.49Å; K272-S275 WeakPolarHBondContact O-CB 3.47Å; K272-S275 PolarHBondContact O-N 3.18Å; K272-S275 PolarHBondContact O-OG 3.2Å
273A62.4Low71.2Confident59 Ų5970.6 Ų70.649%0.48839%0.394SS..THydrogen-bonded Turntrans-55.6126.2171.700000110.7V281A273-V281 HydrophobicContact CB-CB 4.3Å; A273-V281 HydrophobicContact CB-CG1 4.42Å; A273-V281 HydrophobicContact CB-CG2 3.72Å
274G51.4Low71.9Confident69 Ų6972.5 Ų72.571%0.71140%0.396SS*.THydrogen-bonded Turntrans82.714.2-176.500000115.1K272K272-G274 PolarHBondContact O-N 3.49Å
275S51Low72.3Confident23 Ų2368.5 Ų68.516%0.16138%0.383CS..SBendtrans-68.3157.4163.479.50000110.5K272 F277 D278K272-S275 WeakPolarHBondContact O-CB 3.47Å; K272-S275 PolarHBondContact O-N 3.18Å; K272-S275 PolarHBondContact O-OG 3.2Å; S275-F277 PolarHBondContact O-N 3.45Å; S275-D278 PolarHBondContact O-N 2.98Å
276I45.7Very low72.4Confident168 Ų16871.5 Ų71.586%0.86239%0.394SS*.THydrogen-bonded Turntrans-52.7-22-175.6-63.7165.2000112.7
277F48.8Very low72.7Confident123 Ų12365.7 Ų65.754%0.53937%0.367SS..THydrogen-bonded Turntrans-97.6-7.8-174.7-59-73.5000115S275S275-F277 PolarHBondContact O-N 3.45Å
278D50.5Low72.9Confident35 Ų3564.2 Ų64.219%0.18736%0.357CS..  trans-149.8118.7-172.9-141.5-30.1000114.3S275 S280 I282S275-D278 PolarHBondContact O-N 2.98Å; D278-S280 WeakPolarHBondContact OD1-CB 3.26Å; D278-S280 PolarHBondContact OD1-N 2.76Å; D278-S280 PolarHBondContact OD1-OG 3.32Å; D278-I282 WeakPolarHBondContact OD2-CD1 3.34Å
279V49.2Very low73.3Confident159 Ų15962.1 Ų62.196%0.96434%0.344SS*.SBendtrans-78.8-10.8171.6-1760000110.5
280S58Low73.6Confident62 Ų6259 Ų5943%0.43433%0.332SS..SBendtrans-106.4140-173.275.50000113.6D278 I282D278-S280 WeakPolarHBondContact OD1-CB 3.26Å; D278-S280 PolarHBondContact OD1-N 2.76Å; D278-S280 PolarHBondContact OD1-OG 3.32Å; S280-I282 PolarHBondContact O-N 2.68Å
281V64.4Low74Confident72 Ų7259.5 Ų59.544%0.43633%0.331SS..  trans-76.4106170.5179.10000107.9A273 F283 E284 R305A273-V281 HydrophobicContact CB-CB 4.3Å; A273-V281 HydrophobicContact CB-CG1 4.42Å; A273-V281 HydrophobicContact CB-CG2 3.72Å; V281-F283 WeakPolarHBondContact CG1-O 3.45Å; V281-E284 HydrophobicContact CG1-CG 4.23Å; V281-R305 PolarHBondContact O-NH1 3.43Å
282I80.3Confident74.3Confident23 Ų2359.2 Ų59.212%0.11833%0.33CS..SBendtrans-74.9-49.8179.8-61170.9000111.8D278 S280 R305 V307 Y309 P317 V319D278-I282 WeakPolarHBondContact OD2-CD1 3.34Å; S280-I282 PolarHBondContact O-N 2.68Å; I282-R305 WeakPolarHBondContact O-CD 3.42Å; I282-R305 PolarHBondContact O-NH1 3.24Å; I282-V307 HydrophobicContact CG2-CB 4.46Å; I282-V307 HydrophobicContact CG2-CG1 4.05Å; I282-V307 HydrophobicContact CG2-CG2 3.62Å; I282-Y309 HydrophobicContact CD1-CE1 4.02Å; I282-Y309 VanDerWaalsContact CD1-OH 3.24Å; I282-Y309 WeakPolarHBondContact CD1-OH 3.33Å; I282-P317 HydrophobicContact CD1-CG 3.52Å; I282-V319 HydrophobicContact CG2-CG2 4.03Å
283F85.5Confident74.7Confident8 Ų854.2 Ų54.24%0.03531%0.31CS..  trans-104.1125174.6-76.3-76.5000109.7R244 I246 V281 I287 A299 D303 R305 V307R244-F283 HydrophobicContact CB-CB 4.41Å; I246-F283 HydrophobicContact CD1-CE2 4.26Å; V281-F283 WeakPolarHBondContact CG1-O 3.45Å; F283-I287 HydrophobicContact CB-CD1 4.34Å; F283-I287 HydrophobicContact CB-CG1 4.14Å; F283-I287 HydrophobicContact CD1-CG1 4.18Å; F283-I287 HydrophobicContact CD2-CD1 3.51Å; F283-I287 HydrophobicContact CD2-CG1 3.81Å; F283-I287 HydrophobicContact CE2-CD1 3.93Å; F283-I287 HydrophobicContact CE2-CG1 4.2Å; F283-I287 HydrophobicContact CG-CD1 3.98Å; F283-I287 HydrophobicContact CG-CG1 3.79Å; F283-A299 HydrophobicContact CE2-CB 3.9Å; F283-A299 HydrophobicContact CZ-CB 3.81Å; F283-D303 WeakPolarHBondContact CA-OD2 2.8Å; F283-D303 WeakPolarHBondContact CD1-OD1 3.17Å; F283-R305 HydrophobicContact CD1-CB 4.13Å; F283-R305 HydrophobicContact CE1-CB 3.83Å; F283-V307 HydrophobicContact CD2-CG2 4.4Å; F283-V307 HydrophobicContact CE1-CG2 3.97Å; F283-V307 HydrophobicContact CE2-CB 4Å; F283-V307 HydrophobicContact CE2-CG2 3.58Å; F283-V307 HydrophobicContact CZ-CB 3.89Å; F283-V307 HydrophobicContact CZ-CG2 3.33Å
284E83.9Confident75.7Confident108 Ų10855.7 Ų55.751%0.50531%0.31SS..SBendtrans-88-16.3178.5-74.2171.9-166.100112.4R244 V281 D303 R305R244-E284 VanDerWaalsContact CZ-O 3.23Å; R244-E284 PolarHBondContact NE-O 3.07Å; R244-E284 PolarHBondContact NH1-O 2.91Å; R244-E284 VanDerWaalsContact NH1-O 3.11Å; V281-E284 HydrophobicContact CG1-CG 4.23Å; E284-D303 HydrophobicContact CB-CB 4.48Å; E284-D303 PolarHBondContact N-OD2 3.26Å; E284-R305 IonicContact OE1-CZ 3.35Å; E284-R305 IonicContact OE1-NH1 2.9Å; E284-R305 IonicContact OE1-NH2 3.59Å; E284-R305 PolarHBondContact OE1-NH2 2.96Å; E284-R305 IonicContact OE2-NH2 3.3Å; E284-R305 PolarHBondContact OE2-NH2 2.79Å
285S89.8Confident77.3Confident36 Ų3653.7 Ų53.725%0.25228%0.281SS..SBendtrans-136.1-172.6-176.8-58.60000112R244R244-S285 WeakPolarHBondContact CG-O 3.14Å
286R92.2Very high79.1Confident83 Ų8352.6 Ų52.631%0.31327%0.273SS..  trans-59.6148.7-178.3-64.2174.9-74.8-176.4-1.3111.9F217 E242 G301 E302F217-R286 HydrophobicContact CE2-CB 4.06Å; F217-R286 HydrophobicContact CE2-CG 4.14Å; E242-R286 HydrophobicContact CG-CG 3.94Å; R286-G301 CarbonylContact O-C 3.5Å; R286-G301 WeakPolarHBondContact O-CA 3.13Å; R286-E302 HydrophobicContact CB-CB 4.38Å; R286-E302 WeakPolarHBondContact CB-OE2 3.3Å; R286-E302 IonicContact CZ-OE1 3.76Å; R286-E302 IonicContact CZ-OE2 2.72Å; R286-E302 PolarHBondContact N-OE2 3.11Å; R286-E302 IonicContact NE-OE1 2.77Å; R286-E302 IonicContact NE-OE2 3.89Å; R286-E302 PolarHBondContact NE-OE2 2.92Å; R286-E302 VanDerWaalsContact NH2-CD 3.3Å; R286-E302 IonicContact NH2-OE1 3.74Å; R286-E302 PolarHBondContact NH2-OE1 3.45Å; R286-E302 IonicContact NH2-OE2 2.83Å; R286-E302 PolarHBondContact NH2-OE2 2.84Å; R286-E302 PolarHBondContact O-N 3.33Å
287I94.8Very high81.3Confident0 Ų044.6 Ų44.60%023%0.232CC..EExtended strand (participates in β ladder)trans-103.1121175.3-52.9174.1000108.4F217 C240 I246 F283 A299 T300F217-I287 WeakPolarHBondContact CB-O 3.37Å; F217-I287 WeakPolarHBondContact CD2-O 3.45Å; C240-I287 HydrophobicContact CB-CB 3.81Å; C240-I287 HydrophobicContact CB-CD1 4.48Å; C240-I287 HydrophobicContact CB-CG2 3.52Å; C240-I287 PolarHBondContact SG-O 2.85Å; C240-I287 VanDerWaalsContact SG-O 3.39Å; I246-I287 HydrophobicContact CD1-CD1 4.24Å; I246-I287 HydrophobicContact CG1-CD1 3.73Å; F283-I287 HydrophobicContact CB-CD1 4.34Å; F283-I287 HydrophobicContact CB-CG1 4.14Å; F283-I287 HydrophobicContact CD1-CG1 4.18Å; F283-I287 HydrophobicContact CD2-CD1 3.51Å; F283-I287 HydrophobicContact CD2-CG1 3.81Å; F283-I287 HydrophobicContact CE2-CD1 3.93Å; F283-I287 HydrophobicContact CE2-CG1 4.2Å; F283-I287 HydrophobicContact CG-CD1 3.98Å; F283-I287 HydrophobicContact CG-CG1 3.79Å; I287-A299 HydrophobicContact CG2-CB 4.16Å; I287-T300 WeakPolarHBondContact CG2-O 3.1Å
288W94.9Very high83.4Confident36 Ų3638.7 Ų38.714%0.13621%0.207CC..EExtended strand (participates in β ladder)trans-89.1-41.8-173.1-68.5120.8000113.5F217 S218 T300 N328 W330F217-W288 HydrophobicContact CB-CE3 4.42Å; F217-W288 AromaticContact CD1-CE3 4Å; F217-W288 HydrophobicContact CD1-CE3 4Å; F217-W288 AromaticContact CD1-CZ3 3.7Å; F217-W288 HydrophobicContact CD1-CZ3 3.7Å; F217-W288 HydrophobicContact CD2-CE3 4.35Å; F217-W288 HydrophobicContact CD2-CZ3 4.38Å; F217-W288 HydrophobicContact CE1-CE3 4.35Å; F217-W288 HydrophobicContact CE1-CH2 4.42Å; F217-W288 AromaticContact CE1-CZ3 3.62Å; F217-W288 HydrophobicContact CE1-CZ3 3.62Å; F217-W288 HydrophobicContact CE2-CZ3 4.29Å; F217-W288 HydrophobicContact CG-CE3 4.01Å; F217-W288 HydrophobicContact CG-CZ3 4.11Å; F217-W288 HydrophobicContact CZ-CH2 4.41Å; F217-W288 AromaticContact CZ-CZ3 3.93Å; F217-W288 HydrophobicContact CZ-CZ3 3.93Å; S218-W288 WeakPolarHBondContact CB-O 3.42Å; W288-T300 PolarHBondContact N-O 2.9Å; W288-N328 VanDerWaalsContact NE1-CG 3.35Å; W288-N328 PolarHBondContact NE1-OD1 3.41Å; W288-W330 AromaticContact CD2-CE3 3.95Å; W288-W330 HydrophobicContact CD2-CE3 3.95Å; W288-W330 AromaticContact CD2-CZ3 3.68Å; W288-W330 HydrophobicContact CD2-CZ3 3.68Å; W288-W330 AromaticContact CE2-CZ3 3.59Å; W288-W330 HydrophobicContact CE3-CE3 4.32Å; W288-W330 AromaticContact CE3-CZ3 3.86Å; W288-W330 HydrophobicContact CE3-CZ3 3.86Å; W288-W330 HydrophobicContact CG-CE3 4.11Å; W288-W330 HydrophobicContact CG-CZ3 4.31Å; W288-W330 HydrophobicContact CH2-CH2 4.36Å; W288-W330 AromaticContact CH2-CZ3 3.92Å; W288-W330 HydrophobicContact CH2-CZ3 3.92Å; W288-W330 HydrophobicContact CZ2-CH2 4.06Å; W288-W330 AromaticContact CZ2-CZ3 3.73Å; W288-W330 HydrophobicContact CZ2-CZ3 3.73Å; W288-W330 AromaticContact CZ3-CZ3 3.97Å; W288-W330 HydrophobicContact CZ3-CZ3 3.97Å
289C95.4Very high85.5Confident7 Ų737 Ų375%0.04720%0.198CC..EExtended strand (participates in β ladder)trans-139.5140-169.6-164.40000111.2R291 A299 T300C289-R291 PolarHBondContact SG-NH1 3.1Å; C289-A299 CarbonylContact O-C 3.59Å; C289-A299 VanDerWaalsContact O-CA 3.3Å; C289-A299 WeakPolarHBondContact O-CA 3.48Å; C289-T300 WeakPolarHBondContact CB-OG1 3.31Å; C289-T300 PolarHBondContact N-O 3.44Å; C289-T300 PolarHBondContact O-N 3.05Å
290V95.5Very high87.7Confident0 Ų029.5 Ų29.50%015%0.152CC..EExtended strand (participates in β ladder)trans-128.1144.9169.3-76.40000111S218 V238 C240 I246 V298 A299S218-V290 PolarHBondContact OG-N 3.42Å; V238-V290 HydrophobicContact CG1-CB 4.19Å; V238-V290 HydrophobicContact CG1-CG1 4.39Å; V238-V290 HydrophobicContact CG1-CG2 4.26Å; C240-V290 HydrophobicContact CB-CG1 3.56Å; C240-V290 HydrophobicContact CB-CG2 4.32Å; I246-V290 HydrophobicContact CG2-CG1 4.49Å; V290-V298 CarbonylContact C-O 3.58Å; V290-V298 VanDerWaalsContact CA-O 3.31Å; V290-V298 WeakPolarHBondContact CA-O 3.38Å; V290-A299 HydrophobicContact CG1-CB 3.9Å
291R94.2Very high89.3Confident48 Ų4826.5 Ų26.518%0.18113%0.131CC..EExtended strand (participates in β ladder)trans-131.3140.2170.1-68-65.5-179.5-90.2-1.6110.5D220 C289 W295 V297 V298 C332 V334D220-R291 VanDerWaalsContact OD2-CA 3.22Å; D220-R291 WeakPolarHBondContact OD2-CA 3.38Å; D220-R291 WeakPolarHBondContact OD2-CD 3.47Å; C289-R291 PolarHBondContact SG-NH1 3.1Å; R291-W295 HydrophobicContact CB-CH2 4.15Å; R291-W295 HydrophobicContact CB-CZ2 4.5Å; R291-W295 WeakPolarHBondContact O-CH2 3.41Å; R291-V297 CarbonylContact O-C 3.59Å; R291-V297 WeakPolarHBondContact O-CA 3.34Å; R291-V298 PolarHBondContact N-O 2.85Å; R291-V298 PolarHBondContact O-N 2.87Å; R291-C332 PolarHBondContact NE-O 3.18Å; R291-V334 HydrophobicContact CB-CG2 4.2Å
292V92.8Very high90.7Very high13 Ų1324.9 Ų24.98%0.07912%0.119CC..EExtended strand (participates in β ladder)trans-126139.5-179.759.30000111.4D220 C222 V238 G296 V297 W311D220-V292 HydrophobicContact CB-CG1 3.95Å; D220-V292 PolarHBondContact OD2-N 3.17Å; C222-V292 HydrophobicContact CB-CB 4.35Å; C222-V292 HydrophobicContact CB-CG1 3.72Å; C222-V292 HydrophobicContact CB-CG2 4.06Å; V238-V292 HydrophobicContact CB-CB 4.29Å; V238-V292 HydrophobicContact CB-CG1 4.38Å; V238-V292 HydrophobicContact CG2-CB 3.71Å; V238-V292 HydrophobicContact CG2-CG1 4.03Å; V238-V292 HydrophobicContact CG2-CG2 3.73Å; V292-G296 WeakPolarHBondContact CA-O 3.42Å; V292-V297 HydrophobicContact CB-CG2 4.47Å; V292-V297 HydrophobicContact CG2-CG2 4.17Å; V292-W311 HydrophobicContact CG2-CH2 4.27Å; V292-W311 HydrophobicContact CG2-CZ2 3.73Å
293G88.3Confident91.1Very high7 Ų725.2 Ų25.27%0.07212%0.121CC..EExtended strand (participates in β ladder)trans-155-176.2174.600000112.4W295 G296 W311G293-W295 PolarHBondContact O-N 2.82Å; G293-W295 VanDerWaalsContact O-N 3.11Å; G293-G296 PolarHBondContact N-O 2.92Å; G293-G296 PolarHBondContact O-N 3.37Å; G293-G296 VanDerWaalsContact O-N 3.07Å; G293-W311 PolarHBondContact O-NE1 2.76Å
294D83.2Confident91.2Very high90 Ų9025.4 Ų25.448%0.48112%0.123SC..THydrogen-bonded Turntrans-59.9-21.3174.9-69.9-33.8000112.8L224 G225 W311L224-D294 WeakPolarHBondContact CA-OD1 3.16Å; L224-D294 WeakPolarHBondContact CD2-OD1 3.35Å; G225-D294 PolarHBondContact N-OD1 3.08Å; D294-W311 VanDerWaalsContact O-CD1 3.24Å
295W85.3Confident91.3Very high26 Ų2621.3 Ų21.310%0.09810%0.103CC..THydrogen-bonded Turntrans-80.2-23.6177.644.2-97.7000113.9R291 G293 V298 Y308 V334 V345R291-W295 HydrophobicContact CB-CH2 4.15Å; R291-W295 HydrophobicContact CB-CZ2 4.5Å; R291-W295 WeakPolarHBondContact O-CH2 3.41Å; G293-W295 PolarHBondContact O-N 2.82Å; G293-W295 VanDerWaalsContact O-N 3.11Å; W295-V298 HydrophobicContact CE3-CG2 4.42Å; W295-V298 HydrophobicContact CH2-CB 4.01Å; W295-V298 HydrophobicContact CH2-CG2 3.92Å; W295-V298 HydrophobicContact CZ3-CB 3.99Å; W295-V298 HydrophobicContact CZ3-CG2 3.5Å; W295-Y308 HydrophobicContact CE3-CD2 4.24Å; W295-Y308 AromaticContact CE3-CE2 3.61Å; W295-Y308 HydrophobicContact CE3-CE2 3.61Å; W295-Y308 HydrophobicContact CZ3-CD2 4.32Å; W295-Y308 HydrophobicContact CZ3-CE2 4.13Å; W295-Y308 PolarHBondContact O-OH 2.91Å; W295-V334 HydrophobicContact CD2-CG1 4.2Å; W295-V334 VanDerWaalsContact CE2-CG1 3.45Å; W295-V334 HydrophobicContact CH2-CB 4.1Å; W295-V334 HydrophobicContact CH2-CG1 4.03Å; W295-V334 HydrophobicContact CH2-CG2 3.75Å; W295-V334 HydrophobicContact CZ2-CB 3.53Å; W295-V334 HydrophobicContact CZ2-CG1 3.36Å; W295-V334 HydrophobicContact CZ2-CG2 3.73Å; W295-V345 HydrophobicContact CB-CG2 3.54Å; W295-V345 HydrophobicContact CD2-CG1 4.16Å; W295-V345 HydrophobicContact CG-CG1 4.1Å; W295-V345 HydrophobicContact CG-CG2 3.7Å
296G88.9Confident91.3Very high0 Ų019.6 Ų19.60%09%0.091CC..EExtended strand (participates in β ladder)trans142.1-151.2-176.300000114.1V292 G293 Y309 W311V292-G296 WeakPolarHBondContact CA-O 3.42Å; G293-G296 PolarHBondContact N-O 2.92Å; G293-G296 PolarHBondContact O-N 3.37Å; G293-G296 VanDerWaalsContact O-N 3.07Å; G296-Y309 CarbonylContact C-O 3.58Å; G296-Y309 WeakPolarHBondContact CA-O 3.38Å; G296-W311 VanDerWaalsContact CA-NE1 3.34Å
297V92.1Very high91.2Very high0 Ų015.6 Ų15.60%08%0.076CC..EExtended strand (participates in β ladder)trans-122.8129.8176.1179.60000109.7V238 I248 R291 V292 Y309 W311V238-V297 HydrophobicContact CG1-CG1 3.88Å; V238-V297 HydrophobicContact CG1-CG2 4.44Å; V238-V297 HydrophobicContact CG2-CG2 4.04Å; I248-V297 HydrophobicContact CD1-CG2 3.91Å; R291-V297 CarbonylContact O-C 3.59Å; R291-V297 WeakPolarHBondContact O-CA 3.34Å; V292-V297 HydrophobicContact CB-CG2 4.47Å; V292-V297 HydrophobicContact CG2-CG2 4.17Å; V297-Y309 HydrophobicContact CB-CD2 4.47Å; V297-Y309 PolarHBondContact N-O 2.89Å; V297-Y309 PolarHBondContact O-N 2.63Å; V297-W311 HydrophobicContact CG2-CH2 3.7Å; V297-W311 HydrophobicContact CG2-CZ2 4.02Å; V297-W311 HydrophobicContact CG2-CZ3 4.31Å
298V93.4Very high90.9Very high0 Ų015.9 Ų15.90%08%0.077CC..EExtended strand (participates in β ladder)trans-110.2137.9168.9165.90000108.8V290 R291 W295 V306 V307 Y308 C332 V334 L347V290-V298 CarbonylContact C-O 3.58Å; V290-V298 VanDerWaalsContact CA-O 3.31Å; V290-V298 WeakPolarHBondContact CA-O 3.38Å; R291-V298 PolarHBondContact N-O 2.85Å; R291-V298 PolarHBondContact O-N 2.87Å; W295-V298 HydrophobicContact CE3-CG2 4.42Å; W295-V298 HydrophobicContact CH2-CB 4.01Å; W295-V298 HydrophobicContact CH2-CG2 3.92Å; W295-V298 HydrophobicContact CZ3-CB 3.99Å; W295-V298 HydrophobicContact CZ3-CG2 3.5Å; V298-V306 HydrophobicContact CG1-CG1 4.24Å; V298-V307 CarbonylContact C-O 3.55Å; V298-V307 VanDerWaalsContact CA-O 3.27Å; V298-V307 WeakPolarHBondContact CA-O 3.17Å; V298-Y308 HydrophobicContact CG2-CD2 3.81Å; V298-Y308 HydrophobicContact CG2-CG 4.25Å; V298-C332 HydrophobicContact CG1-CB 4.43Å; V298-V334 HydrophobicContact CB-CG2 4.45Å; V298-V334 HydrophobicContact CG2-CG2 4.47Å; V298-L347 HydrophobicContact CG1-CD1 3.86Å; V298-L347 HydrophobicContact CG1-CD2 4.35Å
299A94.3Very high90.6Very high0 Ų014.5 Ų14.50%07%0.072CC..EExtended strand (participates in β ladder)trans-132.9146.4177.500000111.7I246 F283 I287 C289 V290 V306 V307I246-A299 HydrophobicContact CD1-CB 3.53Å; F283-A299 HydrophobicContact CE2-CB 3.9Å; F283-A299 HydrophobicContact CZ-CB 3.81Å; I287-A299 HydrophobicContact CG2-CB 4.16Å; C289-A299 CarbonylContact O-C 3.59Å; C289-A299 VanDerWaalsContact O-CA 3.3Å; C289-A299 WeakPolarHBondContact O-CA 3.48Å; V290-A299 HydrophobicContact CG1-CB 3.9Å; A299-V306 CarbonylContact O-C 3.53Å; A299-V306 WeakPolarHBondContact O-CA 3.33Å; A299-V307 PolarHBondContact N-O 3.25Å; A299-V307 PolarHBondContact O-N 2.83Å
300T94.9Very high90.1Very high0 Ų015.6 Ų15.60%08%0.076CC..EExtended strand (participates in β ladder)trans-126.2142176.168.30000112.1I287 W288 C289 R305 V306 V329 C332 T349I287-T300 WeakPolarHBondContact CG2-O 3.1Å; W288-T300 PolarHBondContact N-O 2.9Å; C289-T300 WeakPolarHBondContact CB-OG1 3.31Å; C289-T300 PolarHBondContact N-O 3.44Å; C289-T300 PolarHBondContact O-N 3.05Å; T300-R305 WeakPolarHBondContact CA-O 3.43Å; T300-V306 HydrophobicContact CG2-CG1 4.21Å; T300-V306 HydrophobicContact CG2-CG2 4.14Å; T300-V329 WeakPolarHBondContact CB-O 3.27Å; T300-V329 HydrophobicContact CG2-CB 4.47Å; T300-V329 HydrophobicContact CG2-CG1 3.7Å; T300-V329 PolarHBondContact OG1-O 2.95Å; T300-C332 HydrophobicContact CG2-CB 3.73Å; T300-T349 HydrophobicContact CG2-CG2 4.43Å
301G92.3Very high89.6Confident0 Ų017.9 Ų17.90%09%0.085CC..EExtended strand (participates in β ladder)trans-123.7170.4-172.300000115.8R286 R305 V329R286-G301 CarbonylContact O-C 3.5Å; R286-G301 WeakPolarHBondContact O-CA 3.13Å; G301-R305 PolarHBondContact N-O 2.97Å; G301-V329 PolarHBondContact O-N 2.74Å
302E93.2Very high88.9Confident37 Ų3722.8 Ų22.817%0.17312%0.115CC..THydrogen-bonded Turntrans-68.5-19.6169.4169.7173.2-152.500113.3R286 C304 Q327 N328R286-E302 HydrophobicContact CB-CB 4.38Å; R286-E302 WeakPolarHBondContact CB-OE2 3.3Å; R286-E302 IonicContact CZ-OE1 3.76Å; R286-E302 IonicContact CZ-OE2 2.72Å; R286-E302 PolarHBondContact N-OE2 3.11Å; R286-E302 IonicContact NE-OE1 2.77Å; R286-E302 IonicContact NE-OE2 3.89Å; R286-E302 PolarHBondContact NE-OE2 2.92Å; R286-E302 VanDerWaalsContact NH2-CD 3.3Å; R286-E302 IonicContact NH2-OE1 3.74Å; R286-E302 PolarHBondContact NH2-OE1 3.45Å; R286-E302 IonicContact NH2-OE2 2.83Å; R286-E302 PolarHBondContact NH2-OE2 2.84Å; R286-E302 PolarHBondContact O-N 3.33Å; E302-C304 PolarHBondContact O-N 3.49Å; E302-Q327 CarbonylContact C-O 3.6Å; E302-Q327 CarbonylContact O-C 3.57Å; E302-Q327 VanDerWaalsContact O-CA 3.24Å; E302-Q327 WeakPolarHBondContact O-CA 3.48Å; E302-N328 WeakPolarHBondContact CB-OD1 3.4Å; E302-N328 WeakPolarHBondContact CG-OD1 3.22Å
303D87.6Confident88.1Confident30 Ų3027.2 Ų27.216%0.1613%0.133CC..THydrogen-bonded Turntrans-89.820.917962.4-4.4000112.9F283 E284 R305F283-D303 WeakPolarHBondContact CA-OD2 2.8Å; F283-D303 WeakPolarHBondContact CD1-OD1 3.17Å; E284-D303 HydrophobicContact CB-CB 4.48Å; E284-D303 PolarHBondContact N-OD2 3.26Å; D303-R305 PolarHBondContact O-N 3.02Å; D303-R305 VanDerWaalsContact O-N 3.11Å; D303-R305 WeakPolarHBondContact OD1-CB 3.5Å; D303-R305 WeakPolarHBondContact OD1-CG 3.31Å; D303-R305 PolarHBondContact OD1-N 3.09Å; D303-R305 WeakPolarHBondContact OD2-CD 3.43Å; D303-R305 IonicContact OD2-CZ 3.07Å; D303-R305 IonicContact OD2-NE 2.72Å; D303-R305 PolarHBondContact OD2-NE 3.07Å
304C87.7Confident87.7Confident12 Ų1227.8 Ų27.88%0.08113%0.134CC..SBendtrans58.314.5-174.7-70.50000115.5E302 R325 Q327E302-C304 PolarHBondContact O-N 3.49Å; C304-R325 PolarHBondContact SG-O 3.17Å; C304-Q327 PolarHBondContact N-O 3.46Å; C304-Q327 PolarHBondContact SG-O 2.65Å
305R87.3Confident87.3Confident22 Ų2225.6 Ų25.68%0.08313%0.126CC..  trans-85.7139.6177.9-61.9-178.1-170.1-173.54.6110.9V281 I282 F283 E284 T300 G301 D303 V307V281-R305 PolarHBondContact O-NH1 3.43Å; I282-R305 WeakPolarHBondContact O-CD 3.42Å; I282-R305 PolarHBondContact O-NH1 3.24Å; F283-R305 HydrophobicContact CD1-CB 4.13Å; F283-R305 HydrophobicContact CE1-CB 3.83Å; E284-R305 IonicContact OE1-CZ 3.35Å; E284-R305 IonicContact OE1-NH1 2.9Å; E284-R305 IonicContact OE1-NH2 3.59Å; E284-R305 PolarHBondContact OE1-NH2 2.96Å; E284-R305 IonicContact OE2-NH2 3.3Å; E284-R305 PolarHBondContact OE2-NH2 2.79Å; T300-R305 WeakPolarHBondContact CA-O 3.43Å; G301-R305 PolarHBondContact N-O 2.97Å; D303-R305 PolarHBondContact O-N 3.02Å; D303-R305 VanDerWaalsContact O-N 3.11Å; D303-R305 WeakPolarHBondContact OD1-CB 3.5Å; D303-R305 WeakPolarHBondContact OD1-CG 3.31Å; D303-R305 PolarHBondContact OD1-N 3.09Å; D303-R305 WeakPolarHBondContact OD2-CD 3.43Å; D303-R305 IonicContact OD2-CZ 3.07Å; D303-R305 IonicContact OD2-NE 2.72Å; D303-R305 PolarHBondContact OD2-NE 3.07Å; R305-V307 HydrophobicContact CB-CG2 4.35Å
306V89.7Confident86.8Confident0 Ų031.3 Ų31.30%015%0.153CC..EExtended strand (participates in β ladder)trans-119.6120.7167.8-178.10000106.7V298 A299 T300 F320 V329 L347 T349V298-V306 HydrophobicContact CG1-CG1 4.24Å; A299-V306 CarbonylContact O-C 3.53Å; A299-V306 WeakPolarHBondContact O-CA 3.33Å; T300-V306 HydrophobicContact CG2-CG1 4.21Å; T300-V306 HydrophobicContact CG2-CG2 4.14Å; V306-F320 HydrophobicContact CB-CB 4.22Å; V306-F320 HydrophobicContact CB-CD2 4.2Å; V306-F320 HydrophobicContact CG1-CD2 4.09Å; V306-F320 PolarHBondContact N-O 3.43Å; V306-F320 VanDerWaalsContact N-O 3.09Å; V306-F320 WeakPolarHBondContact O-CB 3.25Å; V306-F320 WeakPolarHBondContact O-CD2 3.45Å; V306-F320 PolarHBondContact O-N 3.48Å; V306-V329 HydrophobicContact CG2-CG1 4.32Å; V306-L347 HydrophobicContact CG1-CD2 3.87Å; V306-T349 HydrophobicContact CG1-CG2 4.01Å; V306-T349 HydrophobicContact CG2-CG2 4.04Å
307V89.7Confident86.4Confident0 Ų032.5 Ų32.50%016%0.161CC..EExtended strand (participates in β ladder)trans-119.9131.4-171.1-174.20000109.5I282 F283 V298 A299 R305 Y309 P317 V319I282-V307 HydrophobicContact CG2-CB 4.46Å; I282-V307 HydrophobicContact CG2-CG1 4.05Å; I282-V307 HydrophobicContact CG2-CG2 3.62Å; F283-V307 HydrophobicContact CD2-CG2 4.4Å; F283-V307 HydrophobicContact CE1-CG2 3.97Å; F283-V307 HydrophobicContact CE2-CB 4Å; F283-V307 HydrophobicContact CE2-CG2 3.58Å; F283-V307 HydrophobicContact CZ-CB 3.89Å; F283-V307 HydrophobicContact CZ-CG2 3.33Å; V298-V307 CarbonylContact C-O 3.55Å; V298-V307 VanDerWaalsContact CA-O 3.27Å; V298-V307 WeakPolarHBondContact CA-O 3.17Å; A299-V307 PolarHBondContact N-O 3.25Å; A299-V307 PolarHBondContact O-N 2.83Å; R305-V307 HydrophobicContact CB-CG2 4.35Å; V307-Y309 HydrophobicContact CB-CE2 4.01Å; V307-Y309 HydrophobicContact CG1-CD2 3.95Å; V307-Y309 HydrophobicContact CG1-CE1 4.28Å; V307-Y309 HydrophobicContact CG1-CE2 3.35Å; V307-P317 HydrophobicContact CG1-CB 3.78Å; V307-V319 HydrophobicContact CG1-CG2 4.26Å; V307-V319 HydrophobicContact CG2-CG1 4.3Å; V307-V319 HydrophobicContact CG2-CG2 4.33Å
308Y89.2Confident85.9Confident5 Ų535.4 Ų35.42%0.0218%0.179CC..EExtended strand (participates in β ladder)trans-115.1116.4176.7175.4-144.7000110.8W295 V298 Q310 P317 T318 L361 N363W295-Y308 HydrophobicContact CE3-CD2 4.24Å; W295-Y308 AromaticContact CE3-CE2 3.61Å; W295-Y308 HydrophobicContact CE3-CE2 3.61Å; W295-Y308 HydrophobicContact CZ3-CD2 4.32Å; W295-Y308 HydrophobicContact CZ3-CE2 4.13Å; W295-Y308 PolarHBondContact O-OH 2.91Å; V298-Y308 HydrophobicContact CG2-CD2 3.81Å; V298-Y308 HydrophobicContact CG2-CG 4.25Å; Y308-Q310 HydrophobicContact CD1-CG 4.19Å; Y308-Q310 HydrophobicContact CE1-CG 3.47Å; Y308-Q310 VanDerWaalsContact CE1-CG 3.47Å; Y308-Q310 HydrophobicContact CE2-CG 3.85Å; Y308-Q310 WeakPolarHBondContact OH-CG 3.17Å; Y308-P317 WeakPolarHBondContact O-CA 3.49Å; Y308-T318 PolarHBondContact N-O 2.98Å; Y308-T318 PolarHBondContact O-N 3.44Å; Y308-L361 HydrophobicContact CD1-CD1 3.85Å; Y308-L361 HydrophobicContact CE1-CB 4.23Å; Y308-L361 HydrophobicContact CE1-CD1 4.02Å; Y308-L361 HydrophobicContact CG-CD1 4.1Å; Y308-N363 PolarHBondContact OH-OD1 2.76Å
309Y88.2Confident85.3Confident7 Ų737.6 Ų37.63%0.02719%0.192CC..EExtended strand (participates in β ladder)trans-101.8104.2174.1-61.4-90000109.6I246 L271 I282 G296 V297 V307 I314 P317I246-Y309 HydrophobicContact CD1-CD2 4.49Å; I246-Y309 HydrophobicContact CD1-CE2 3.7Å; L271-Y309 HydrophobicContact CD1-CD1 3.75Å; L271-Y309 HydrophobicContact CD1-CD2 4.22Å; L271-Y309 HydrophobicContact CD1-CE1 3.7Å; L271-Y309 HydrophobicContact CD1-CE2 4.15Å; L271-Y309 HydrophobicContact CD1-CG 4.03Å; I282-Y309 HydrophobicContact CD1-CE1 4.02Å; I282-Y309 VanDerWaalsContact CD1-OH 3.24Å; I282-Y309 WeakPolarHBondContact CD1-OH 3.33Å; G296-Y309 CarbonylContact C-O 3.58Å; G296-Y309 WeakPolarHBondContact CA-O 3.38Å; V297-Y309 HydrophobicContact CB-CD2 4.47Å; V297-Y309 PolarHBondContact N-O 2.89Å; V297-Y309 PolarHBondContact O-N 2.63Å; V307-Y309 HydrophobicContact CB-CE2 4.01Å; V307-Y309 HydrophobicContact CG1-CD2 3.95Å; V307-Y309 HydrophobicContact CG1-CE1 4.28Å; V307-Y309 HydrophobicContact CG1-CE2 3.35Å; Y309-I314 HydrophobicContact CD1-CG1 4.26Å; Y309-P317 HydrophobicContact CD1-CB 3.59Å; Y309-P317 HydrophobicContact CD1-CG 4.16Å; Y309-P317 HydrophobicContact CE1-CB 3.53Å; Y309-P317 HydrophobicContact CE1-CG 3.72Å; Y309-P317 HydrophobicContact CG-CB 4.22Å
310Q85.1Confident84.6Confident31 Ų3138.1 Ų38.115%0.14520%0.195CC..EExtended strand (participates in β ladder)trans-73.7139170.4-75.5173.9-25.300110.2Y308 N312 K313 I314 N363Y308-Q310 HydrophobicContact CD1-CG 4.19Å; Y308-Q310 HydrophobicContact CE1-CG 3.47Å; Y308-Q310 VanDerWaalsContact CE1-CG 3.47Å; Y308-Q310 HydrophobicContact CE2-CG 3.85Å; Y308-Q310 WeakPolarHBondContact OH-CG 3.17Å; Q310-N312 PolarHBondContact O-N 2.78Å; Q310-K313 HydrophobicContact CB-CB 4.34Å; Q310-K313 CarbonylContact O-C 3.45Å; Q310-K313 VanDerWaalsContact O-C 3.28Å; Q310-K313 PolarHBondContact O-N 3.4Å; Q310-I314 WeakPolarHBondContact O-CA 3.07Å; Q310-I314 PolarHBondContact O-N 2.85Å; Q310-N363 PolarHBondContact NE2-OD1 3.38Å
311W84.2Confident83.5Confident48 Ų4845.3 Ų45.318%0.18222%0.222CC..G310 helixtrans-56.1-38.9177.8-65.4123.1000112.8L224 I248 V292 G293 D294 G296 V297 K313 I314L224-W311 HydrophobicContact CD1-CZ2 4.44Å; I248-W311 HydrophobicContact CD1-CH2 4.13Å; I248-W311 HydrophobicContact CD1-CZ3 3.9Å; I248-W311 HydrophobicContact CG2-CH2 4.08Å; I248-W311 HydrophobicContact CG2-CZ3 4.28Å; V292-W311 HydrophobicContact CG2-CH2 4.27Å; V292-W311 HydrophobicContact CG2-CZ2 3.73Å; G293-W311 PolarHBondContact O-NE1 2.76Å; D294-W311 VanDerWaalsContact O-CD1 3.24Å; G296-W311 VanDerWaalsContact CA-NE1 3.34Å; V297-W311 HydrophobicContact CG2-CH2 3.7Å; V297-W311 HydrophobicContact CG2-CZ2 4.02Å; V297-W311 HydrophobicContact CG2-CZ3 4.31Å; W311-K313 VanDerWaalsContact C-N 3.34Å; W311-K313 PolarHBondContact O-N 2.99Å; W311-I314 HydrophobicContact CE3-CD1 4.37Å; W311-I314 HydrophobicContact CZ3-CD1 4.36Å
312N78.8Confident82.4Confident151 Ų15148.2 Ų48.281%0.80724%0.237SC*.G310 helixtrans-77-16.8-179.4-62.7-7000114Q310Q310-N312 PolarHBondContact O-N 2.78Å
313K76.2Confident81.6Confident105 Ų10547 Ų4746%0.45723%0.232SC..G310 helixtrans-135.638.8-175.6-65.2-174-179.8-179.90111.2Q310 W311 S315 H316Q310-K313 HydrophobicContact CB-CB 4.34Å; Q310-K313 CarbonylContact O-C 3.45Å; Q310-K313 VanDerWaalsContact O-C 3.28Å; Q310-K313 PolarHBondContact O-N 3.4Å; W311-K313 VanDerWaalsContact C-N 3.34Å; W311-K313 PolarHBondContact O-N 2.99Å; K313-S315 PolarHBondContact O-N 2.87Å; K313-S315 VanDerWaalsContact O-N 3.12Å; K313-H316 CarbonylContact O-C 3.55Å; K313-H316 PolarHBondContact O-N 2.88Å
314I81.5Confident81.5Confident19 Ų1945.8 Ų45.810%0.09723%0.225CC..THydrogen-bonded Turntrans-61.8-25.9-172.9-162.9161.9000112.9I248 Y269 L271 Y309 Q310 W311 H316I248-I314 HydrophobicContact CD1-CD1 4.16Å; Y269-I314 HydrophobicContact CD1-CD1 4.07Å; Y269-I314 HydrophobicContact CD2-CD1 3.56Å; Y269-I314 HydrophobicContact CE1-CD1 4.15Å; Y269-I314 HydrophobicContact CE1-CG2 3.86Å; Y269-I314 HydrophobicContact CE2-CD1 3.64Å; Y269-I314 HydrophobicContact CG-CD1 3.79Å; L271-I314 HydrophobicContact CD2-CG1 4.34Å; Y309-I314 HydrophobicContact CD1-CG1 4.26Å; Q310-I314 WeakPolarHBondContact O-CA 3.07Å; Q310-I314 PolarHBondContact O-N 2.85Å; W311-I314 HydrophobicContact CE3-CD1 4.37Å; W311-I314 HydrophobicContact CZ3-CD1 4.36Å; I314-H316 VanDerWaalsContact C-N 3.3Å; I314-H316 PolarHBondContact O-N 2.82Å
315S73.9Confident81Confident44 Ų4447.4 Ų47.431%0.30823%0.23SC..THydrogen-bonded Turntrans-73.1-17.1174.656.90000114.2K313K313-S315 PolarHBondContact O-N 2.87Å; K313-S315 VanDerWaalsContact O-N 3.12Å
316H74.2Confident80.4Confident146 Ų14648.1 Ų48.168%0.67624%0.244SC*.SBendtrans-128.771.2-176.4-61.9-17.2000109.7K313 I314K313-H316 CarbonylContact O-C 3.55Å; K313-H316 PolarHBondContact O-N 2.88Å; I314-H316 VanDerWaalsContact C-N 3.3Å; I314-H316 PolarHBondContact O-N 2.82Å
317P81.2Confident80Confident26 Ų2651.5 Ų51.517%0.16926%0.259CS..  trans-66.8147.5-177.525.3-30.9000112I282 V307 Y308 Y309 V319I282-P317 HydrophobicContact CD1-CG 3.52Å; V307-P317 HydrophobicContact CG1-CB 3.78Å; Y308-P317 WeakPolarHBondContact O-CA 3.49Å; Y309-P317 HydrophobicContact CD1-CB 3.59Å; Y309-P317 HydrophobicContact CD1-CG 4.16Å; Y309-P317 HydrophobicContact CE1-CB 3.53Å; Y309-P317 HydrophobicContact CE1-CG 3.72Å; Y309-P317 HydrophobicContact CG-CB 4.22Å; P317-V319 PolarHBondContact O-N 2.78Å
318T80.7Confident80Confident61 Ų6152 Ų5237%0.37426%0.262SS..EExtended strand (participates in β ladder)trans-85.3114.6170.5-55.90000108.7Y308 F320Y308-T318 PolarHBondContact N-O 2.98Å; Y308-T318 PolarHBondContact O-N 3.44Å; T318-F320 HydrophobicContact CG2-CD1 4.22Å; T318-F320 HydrophobicContact CG2-CE1 3.53Å; T318-F320 HydrophobicContact CG2-CE2 4.23Å; T318-F320 HydrophobicContact CG2-CZ 3.52Å
319V80.7Confident80.3Confident46 Ų4651.7 Ų51.728%0.27926%0.261SS..EExtended strand (participates in β ladder)trans-101.6112.9179.9-177.20000109.4I282 V307 P317 R321I282-V319 HydrophobicContact CG2-CG2 4.03Å; V307-V319 HydrophobicContact CG1-CG2 4.26Å; V307-V319 HydrophobicContact CG2-CG1 4.3Å; V307-V319 HydrophobicContact CG2-CG2 4.33Å; P317-V319 PolarHBondContact O-N 2.78Å; V319-R321 HydrophobicContact CG1-CG 4.05Å
320F79.6Confident80.6Confident11 Ų1155 Ų555%0.04827%0.273CS..EExtended strand (participates in β ladder)trans-89.1127.3171-48.8-69.1000110.3V306 T318 I323 L347 R359 L361V306-F320 HydrophobicContact CB-CB 4.22Å; V306-F320 HydrophobicContact CB-CD2 4.2Å; V306-F320 HydrophobicContact CG1-CD2 4.09Å; V306-F320 PolarHBondContact N-O 3.43Å; V306-F320 VanDerWaalsContact N-O 3.09Å; V306-F320 WeakPolarHBondContact O-CB 3.25Å; V306-F320 WeakPolarHBondContact O-CD2 3.45Å; V306-F320 PolarHBondContact O-N 3.48Å; T318-F320 HydrophobicContact CG2-CD1 4.22Å; T318-F320 HydrophobicContact CG2-CE1 3.53Å; T318-F320 HydrophobicContact CG2-CE2 4.23Å; T318-F320 HydrophobicContact CG2-CZ 3.52Å; F320-I323 HydrophobicContact CB-CD1 3.37Å; F320-I323 HydrophobicContact CB-CG1 4.12Å; F320-I323 HydrophobicContact CG-CD1 3.99Å; F320-L347 HydrophobicContact CE2-CD2 4.48Å; F320-R359 VanDerWaalsContact CE1-CZ 3.42Å; F320-L361 HydrophobicContact CE1-CD2 4.34Å; F320-L361 HydrophobicContact CE2-CD2 3.84Å; F320-L361 HydrophobicContact CZ-CD2 3.38Å
321R73.3Confident81Confident151 Ų15153.8 Ų53.857%0.5727%0.268SS*.  trans-120.8158.7177.2-62.8-177.3175148.4-2.1109.4V319 I323V319-R321 HydrophobicContact CG1-CG 4.05Å; R321-I323 PolarHBondContact O-N 3.34Å
322N68.1Low81.5Confident60 Ų6051.5 Ų51.532%0.32126%0.26SS..SBendtrans59.621.8177.5-56.3-19.9000114.7H690 P738N322-H690 PolarHBondContact ND2-CE1 3.39Å; N322-H690 VanDerWaalsContact ND2-CE1 3.32Å; N322-H690 PolarHBondContact ND2-NE2 3.31Å; N322-P738 WeakPolarHBondContact O-CB 2.93Å
323I77.6Confident82.3Confident12 Ų1244.9 Ų44.96%0.06223%0.225CC..SBendtrans-75.3-43.4170.2-64.1-177.9000110F320 R321 C357 Y832F320-I323 HydrophobicContact CB-CD1 3.37Å; F320-I323 HydrophobicContact CB-CG1 4.12Å; F320-I323 HydrophobicContact CG-CD1 3.99Å; R321-I323 PolarHBondContact O-N 3.34Å; I323-C357 HydrophobicContact CG2-CB 3.33Å; I323-C357 WeakPolarHBondContact CG2-SG 3.4Å; I323-Y832 PolarHBondContact O-OH 3.31Å
324H83.8Confident83Confident5 Ų541.2 Ų41.22%0.02321%0.212CC..SBendtrans-115.7162.5174.7-66.3-81.3000109.7V329 T349 G351 D353 A355H324-V329 HydrophobicContact CB-CG2 3.72Å; H324-T349 WeakPolarHBondContact NE2-CB 3.46Å; H324-T349 PolarHBondContact NE2-OG1 2.68Å; H324-G351 PolarHBondContact CE1-N 2.91Å; H324-D353 VanDerWaalsContact CA-OD2 3.24Å; H324-D353 WeakPolarHBondContact CA-OD2 3.18Å; H324-D353 IonicContact CG-OD1 2.9Å; H324-D353 IonicContact CG-OD2 2.7Å; H324-D353 IonicContact ND1-OD1 3.66Å; H324-D353 PolarHBondContact ND1-OD1 3.4Å; H324-D353 IonicContact ND1-OD2 3.38Å; H324-A355 PolarHBondContact CE1-O 3.27Å
325R77.6Confident83.3Confident46 Ų4643 Ų4317%0.17422%0.217CC..  trans-110.2155.7179.2-60.7-175.1-176.5-140.4-0.5111.9C304 Q327 D353 T736 S836 G839 H908C304-R325 PolarHBondContact SG-O 3.17Å; R325-Q327 PolarHBondContact O-N 3.5Å; R325-D353 HydrophobicContact CB-CB 4.41Å; R325-D353 PolarHBondContact N-OD2 2.77Å; R325-T736 PolarHBondContact NH2-O 2.75Å; R325-S836 WeakPolarHBondContact CD-OG 3.45Å; R325-S836 PolarHBondContact NE-OG 3.13Å; R325-S836 VanDerWaalsContact NE-OG 3.13Å; R325-G839 VanDerWaalsContact C-CA 3.47Å; R325-G839 WeakPolarHBondContact O-CA 3.32Å; R325-H908 PolarHBondContact NH1-CD2 2.92Å; R325-H908 PolarHBondContact NH2-CD2 2.93Å
326G75.8Confident83.8Confident37 Ų3742.8 Ų42.838%0.38122%0.215SC..SBendtrans74.7-99.9171.700000113.7
327Q80.7Confident83.6Confident70 Ų7039.2 Ų39.233%0.32720%0.199SC..SBendtrans-118.7-103.8-171.5-6517614.600112.5E302 C304 R325 G839 Q840E302-Q327 CarbonylContact C-O 3.6Å; E302-Q327 CarbonylContact O-C 3.57Å; E302-Q327 VanDerWaalsContact O-CA 3.24Å; E302-Q327 WeakPolarHBondContact O-CA 3.48Å; C304-Q327 PolarHBondContact N-O 3.46Å; C304-Q327 PolarHBondContact SG-O 2.65Å; R325-Q327 PolarHBondContact O-N 3.5Å; Q327-G839 PolarHBondContact N-O 3.36Å; Q327-Q840 HydrophobicContact CG-CG 4.16Å
328N90.7Very high82.6Confident10 Ų1045.2 Ų45.25%0.05323%0.23CC..  trans-78.7131.9-156.7-52.4-55000113.3W288 E302 W330 G351 N352W288-N328 VanDerWaalsContact NE1-CG 3.35Å; W288-N328 PolarHBondContact NE1-OD1 3.41Å; E302-N328 WeakPolarHBondContact CB-OD1 3.4Å; E302-N328 WeakPolarHBondContact CG-OD1 3.22Å; N328-W330 HydrophobicContact CB-CD2 3.73Å; N328-W330 VanDerWaalsContact CB-CE2 3.47Å; N328-W330 HydrophobicContact CB-CE3 4.08Å; N328-W330 HydrophobicContact CB-CG 4.32Å; N328-W330 HydrophobicContact CB-CH2 3.96Å; N328-W330 HydrophobicContact CB-CZ2 3.61Å; N328-W330 HydrophobicContact CB-CZ3 4.17Å; N328-W330 WeakPolarHBondContact ND2-CH2 3.49Å; N328-W330 WeakPolarHBondContact ND2-CZ2 3.27Å; N328-G351 CarbonylContact O-C 3.45Å; N328-N352 HydrophobicContact CB-CB 4.15Å; N328-N352 WeakPolarHBondContact O-CB 3.08Å; N328-N352 PolarHBondContact O-N 2.93Å
329V94.3Very high81.3Confident0 Ų046.1 Ų46.10%024%0.235CC..EExtended strand (participates in β ladder)trans-98.996.5157.6-1770000107.5T300 G301 V306 H324T300-V329 WeakPolarHBondContact CB-O 3.27Å; T300-V329 HydrophobicContact CG2-CB 4.47Å; T300-V329 HydrophobicContact CG2-CG1 3.7Å; T300-V329 PolarHBondContact OG1-O 2.95Å; G301-V329 PolarHBondContact O-N 2.74Å; V306-V329 HydrophobicContact CG2-CG1 4.32Å; H324-V329 HydrophobicContact CB-CG2 3.72Å
330W94Very high79.7Confident75 Ų7549.2 Ų49.228%0.28427%0.266SS..EExtended strand (participates in β ladder)trans-69.8-37-168.3-67.6118.7000113.2I15 W288 N328 G350 N352I15-W330 WeakPolarHBondContact O-CB 3.49Å; W288-W330 AromaticContact CD2-CE3 3.95Å; W288-W330 HydrophobicContact CD2-CE3 3.95Å; W288-W330 AromaticContact CD2-CZ3 3.68Å; W288-W330 HydrophobicContact CD2-CZ3 3.68Å; W288-W330 AromaticContact CE2-CZ3 3.59Å; W288-W330 HydrophobicContact CE3-CE3 4.32Å; W288-W330 AromaticContact CE3-CZ3 3.86Å; W288-W330 HydrophobicContact CE3-CZ3 3.86Å; W288-W330 HydrophobicContact CG-CE3 4.11Å; W288-W330 HydrophobicContact CG-CZ3 4.31Å; W288-W330 HydrophobicContact CH2-CH2 4.36Å; W288-W330 AromaticContact CH2-CZ3 3.92Å; W288-W330 HydrophobicContact CH2-CZ3 3.92Å; W288-W330 HydrophobicContact CZ2-CH2 4.06Å; W288-W330 AromaticContact CZ2-CZ3 3.73Å; W288-W330 HydrophobicContact CZ2-CZ3 3.73Å; W288-W330 AromaticContact CZ3-CZ3 3.97Å; W288-W330 HydrophobicContact CZ3-CZ3 3.97Å; N328-W330 HydrophobicContact CB-CD2 3.73Å; N328-W330 VanDerWaalsContact CB-CE2 3.47Å; N328-W330 HydrophobicContact CB-CE3 4.08Å; N328-W330 HydrophobicContact CB-CG 4.32Å; N328-W330 HydrophobicContact CB-CH2 3.96Å; N328-W330 HydrophobicContact CB-CZ2 3.61Å; N328-W330 HydrophobicContact CB-CZ3 4.17Å; N328-W330 WeakPolarHBondContact ND2-CH2 3.49Å; N328-W330 WeakPolarHBondContact ND2-CZ2 3.27Å; W330-G350 PolarHBondContact N-O 2.8Å; W330-N352 PolarHBondContact NE1-OD1 3.44Å
331C94.4Very high78.1Confident6 Ų655.8 Ų55.84%0.04130%0.301CS..EExtended strand (participates in β ladder)trans-146152.2-171.260.60000113G350C331-G350 PolarHBondContact N-O 2.83Å; C331-G350 PolarHBondContact O-N 2.63Å
332C95.1Very high77.1Confident0 Ų050.2 Ų50.20%029%0.286CS..EExtended strand (participates in β ladder)trans-136.2147.9166.7600000110.3R291 V298 T300 L347 A348 T349R291-C332 PolarHBondContact NE-O 3.18Å; V298-C332 HydrophobicContact CG1-CB 4.43Å; T300-C332 HydrophobicContact CG2-CB 3.73Å; C332-L347 HydrophobicContact CB-CD1 4.08Å; C332-A348 CarbonylContact C-O 3.56Å; C332-A348 WeakPolarHBondContact CA-O 3.49Å; C332-T349 HydrophobicContact CB-CG2 4.07Å
333S94.2Very high76.8Confident12 Ų1252.3 Ų52.38%0.08429%0.293CS..EExtended strand (participates in β ladder)trans-128.4141.7170.5-172.60000108.8H20 A348H20-S333 PolarHBondContact CE1-O 3.37Å; H20-S333 VanDerWaalsContact CE1-O 3.29Å; H20-S333 PolarHBondContact N-OG 3.18Å; H20-S333 WeakPolarHBondContact ND1-CB 3.41Å; H20-S333 PolarHBondContact ND1-OG 3.05Å; S333-A348 PolarHBondContact N-O 3.5Å; S333-A348 PolarHBondContact O-N 3.38Å
334V91.6Very high76.5Confident29 Ų2953.1 Ų53.118%0.17630%0.3CS..EExtended strand (participates in β ladder)trans-126.7134.5-177.3-174.20000109.1R291 W295 V298 V345 L346 L347R291-V334 HydrophobicContact CB-CG2 4.2Å; W295-V334 HydrophobicContact CD2-CG1 4.2Å; W295-V334 VanDerWaalsContact CE2-CG1 3.45Å; W295-V334 HydrophobicContact CH2-CB 4.1Å; W295-V334 HydrophobicContact CH2-CG1 4.03Å; W295-V334 HydrophobicContact CH2-CG2 3.75Å; W295-V334 HydrophobicContact CZ2-CB 3.53Å; W295-V334 HydrophobicContact CZ2-CG1 3.36Å; W295-V334 HydrophobicContact CZ2-CG2 3.73Å; V298-V334 HydrophobicContact CB-CG2 4.45Å; V298-V334 HydrophobicContact CG2-CG2 4.47Å; V334-V345 HydrophobicContact CG1-CG1 3.1Å; V334-L346 CarbonylContact C-O 3.54Å; V334-L346 WeakPolarHBondContact CA-O 3.05Å; V334-L347 HydrophobicContact CG2-CD1 3.77Å
335W88.5Confident76.4Confident57 Ų5753 Ų5322%0.21630%0.3CS..EExtended strand (participates in β ladder)trans-121.9134.4176.9-175.687.9000110.5H20 K23 E337 L346H20-W335 HydrophobicContact CB-CB 4.02Å; H20-W335 HydrophobicContact CB-CG 4.38Å; K23-W335 HydrophobicContact CB-CD2 4.31Å; K23-W335 HydrophobicContact CB-CE3 4.1Å; K23-W335 HydrophobicContact CB-CH2 3.4Å; K23-W335 VanDerWaalsContact CB-CH2 3.4Å; K23-W335 HydrophobicContact CB-CZ2 3.72Å; K23-W335 HydrophobicContact CB-CZ3 3.65Å; K23-W335 HydrophobicContact CD-CH2 3.64Å; K23-W335 HydrophobicContact CD-CZ3 3.58Å; K23-W335 HydrophobicContact CG-CE3 3.95Å; K23-W335 HydrophobicContact CG-CH2 3.64Å; K23-W335 HydrophobicContact CG-CZ2 4.42Å; K23-W335 HydrophobicContact CG-CZ3 3.41Å; K23-W335 VanDerWaalsContact CG-CZ3 3.41Å; W335-E337 HydrophobicContact CH2-CB 4.35Å; W335-E337 HydrophobicContact CH2-CG 3Å; W335-E337 WeakPolarHBondContact CH2-OE1 3.44Å; W335-E337 HydrophobicContact CZ2-CG 3.72Å; W335-E337 HydrophobicContact CZ3-CG 3.47Å; W335-E337 VanDerWaalsContact CZ3-CG 3.47Å; W335-L346 HydrophobicContact CB-CB 4.36Å; W335-L346 HydrophobicContact CE3-CB 4.29Å; W335-L346 PolarHBondContact N-O 3.17Å; W335-L346 PolarHBondContact O-N 2.91Å
336S83.1Confident76.9Confident38 Ų3851.9 Ų51.927%0.26630%0.297SS..EExtended strand (participates in β ladder)trans-138.2134.9-179.5-173.30000109
337E71.1Confident77.6Confident71 Ų7150.2 Ų50.233%0.33228%0.28SS..  trans-75.6127.1170.1-67179.3-159.300108.5K23 W335 T339 S342K23-E337 IonicContact NZ-OE1 2.86Å; K23-E337 PolarHBondContact NZ-OE1 3.02Å; W335-E337 HydrophobicContact CH2-CB 4.35Å; W335-E337 HydrophobicContact CH2-CG 3Å; W335-E337 WeakPolarHBondContact CH2-OE1 3.44Å; W335-E337 HydrophobicContact CZ2-CG 3.72Å; W335-E337 HydrophobicContact CZ3-CG 3.47Å; W335-E337 VanDerWaalsContact CZ3-CG 3.47Å; E337-T339 PolarHBondContact O-N 2.93Å; E337-S342 WeakPolarHBondContact O-CB 3.14Å; E337-S342 PolarHBondContact O-OG 3.08Å
338N58.8Low78.2Confident153 Ų15346.9 Ų46.982%0.81826%0.264SS*.  trans-75.629.8177.7-80.7-7.5000113.5
339T53.5Low78.4Confident79 Ų7946.5 Ų46.549%0.48526%0.262SS..SBendtrans-88.1139.8176.758.20000109.3E337 N341 S342E337-T339 PolarHBondContact O-N 2.93Å; T339-N341 PolarHBondContact O-N 2.95Å; T339-S342 PolarHBondContact O-N 2.47Å; T339-S342 PolarHBondContact O-OG 3.33Å
340A48.9Very low78.4Confident111 Ų11146.5 Ų46.592%0.91726%0.262SS*.THydrogen-bonded Turntrans-57.9-6.6-177.700000115
341N45.1Very low78.3Confident149 Ų14943 Ų4380%0.79725%0.249SC*.THydrogen-bonded Turntrans-1186.6-176.9-72.2-5.9000114T339 E343T339-N341 PolarHBondContact O-N 2.95Å; N341-E343 PolarHBondContact O-N 3.42Å; N341-E343 VanDerWaalsContact O-N 3.15Å
342S52.1Low78.2Confident35 Ų3543.6 Ų43.625%0.24525%0.252CS..  trans-80.199.1-178.857.90000111.5E337 T339 S344E337-S342 WeakPolarHBondContact O-CB 3.14Å; E337-S342 PolarHBondContact O-OG 3.08Å; T339-S342 PolarHBondContact O-N 2.47Å; T339-S342 PolarHBondContact O-OG 3.33Å; S342-S344 VanDerWaalsContact C-N 3.27Å
343E61.3Low77.9Confident103 Ų10343.8 Ų43.848%0.48125%0.253SS..  trans-83-1.5173.7-66.6-168.8154.200113.3N341 K362 N363N341-E343 PolarHBondContact O-N 3.42Å; N341-E343 VanDerWaalsContact O-N 3.15Å; E343-K362 WeakPolarHBondContact O-CA 3.43Å; E343-N363 PolarHBondContact O-N 3.27Å
344S72.7Confident77.6Confident30 Ų3043.2 Ų43.221%0.2125%0.249CC..EExtended strand (participates in β ladder)trans-120.1137.7-17578.50000114.6S342 E360 L361S342-S344 VanDerWaalsContact C-N 3.27Å; S344-E360 WeakPolarHBondContact CB-OE1 3.19Å; S344-E360 PolarHBondContact OG-OE1 3.01Å; S344-L361 CarbonylContact C-O 3.5Å; S344-L361 WeakPolarHBondContact CA-O 3.15Å
345V80.4Confident77.5Confident3 Ų341.8 Ų41.82%0.01824%0.24CC..EExtended strand (participates in β ladder)trans-122.9127.2-178.3175.60000108.4W295 V334 E360 L361W295-V345 HydrophobicContact CB-CG2 3.54Å; W295-V345 HydrophobicContact CD2-CG1 4.16Å; W295-V345 HydrophobicContact CG-CG1 4.1Å; W295-V345 HydrophobicContact CG-CG2 3.7Å; V334-V345 HydrophobicContact CG1-CG1 3.1Å; V345-E360 CarbonylContact O-C 3.55Å; V345-E360 WeakPolarHBondContact O-CA 3.24Å; V345-L361 HydrophobicContact CB-CB 4.25Å; V345-L361 PolarHBondContact N-O 2.79Å; V345-L361 PolarHBondContact O-N 3.05Å
346L88.5Confident77.7Confident21 Ų2139.1 Ų39.111%0.1123%0.23CC..EExtended strand (participates in β ladder)trans-93.8118.4178.5-165.770.9000109.8K23 V334 W335 I358 E360K23-L346 HydrophobicContact CG-CD2 4.49Å; V334-L346 CarbonylContact C-O 3.54Å; V334-L346 WeakPolarHBondContact CA-O 3.05Å; W335-L346 HydrophobicContact CB-CB 4.36Å; W335-L346 HydrophobicContact CE3-CB 4.29Å; W335-L346 PolarHBondContact N-O 3.17Å; W335-L346 PolarHBondContact O-N 2.91Å; L346-I358 HydrophobicContact CD1-CG2 3.53Å; L346-I358 HydrophobicContact CD2-CG2 4.11Å; L346-I358 HydrophobicContact CG-CG2 3.79Å; L346-E360 HydrophobicContact CD1-CB 4.25Å
347L90.9Very high78Confident3 Ų337.4 Ų37.42%0.01622%0.218CC..EExtended strand (participates in β ladder)trans-105.9125.3179.4170.462.5000109.8V298 V306 F320 C332 V334 T349 I358 R359 L361V298-L347 HydrophobicContact CG1-CD1 3.86Å; V298-L347 HydrophobicContact CG1-CD2 4.35Å; V306-L347 HydrophobicContact CG1-CD2 3.87Å; F320-L347 HydrophobicContact CE2-CD2 4.48Å; C332-L347 HydrophobicContact CB-CD1 4.08Å; V334-L347 HydrophobicContact CG2-CD1 3.77Å; L347-T349 HydrophobicContact CD1-CG2 3.95Å; L347-T349 HydrophobicContact CD2-CG2 4.32Å; L347-T349 HydrophobicContact CG-CG2 4.02Å; L347-I358 CarbonylContact O-C 3.56Å; L347-I358 VanDerWaalsContact O-CA 3.27Å; L347-I358 WeakPolarHBondContact O-CA 3.34Å; L347-R359 PolarHBondContact N-O 2.84Å; L347-R359 PolarHBondContact O-N 3.38Å; L347-L361 HydrophobicContact CB-CD1 4.01Å; L347-L361 HydrophobicContact CB-CG 4.29Å; L347-L361 HydrophobicContact CD2-CD1 4.11Å
348A93.6Very high78.9Confident0 Ų034.1 Ų34.10%020%0.203CC..EExtended strand (participates in β ladder)trans-111.2136.1168.700000110.3L18 H20 L26 C332 S333 C357 I358L18-A348 HydrophobicContact CD1-CB 4.27Å; H20-A348 VanDerWaalsContact CE1-CB 3.42Å; H20-A348 WeakPolarHBondContact CE1-CB 3.48Å; L26-A348 HydrophobicContact CD1-CB 4.01Å; L26-A348 HydrophobicContact CD2-CB 3.99Å; C332-A348 CarbonylContact C-O 3.56Å; C332-A348 WeakPolarHBondContact CA-O 3.49Å; S333-A348 PolarHBondContact N-O 3.5Å; S333-A348 PolarHBondContact O-N 3.38Å; A348-C357 CarbonylContact C-O 3.59Å; A348-C357 VanDerWaalsContact CA-O 3.26Å; A348-C357 WeakPolarHBondContact CA-O 3.46Å; A348-I358 HydrophobicContact CB-CG1 4.06Å
349T94.8Very high80Confident2 Ų229.8 Ų29.81%0.01218%0.175CC..EExtended strand (participates in β ladder)trans-130141.8178.459.70000111.7T300 V306 H324 C332 L347 I356 C357T300-T349 HydrophobicContact CG2-CG2 4.43Å; V306-T349 HydrophobicContact CG1-CG2 4.01Å; V306-T349 HydrophobicContact CG2-CG2 4.04Å; H324-T349 WeakPolarHBondContact NE2-CB 3.46Å; H324-T349 PolarHBondContact NE2-OG1 2.68Å; C332-T349 HydrophobicContact CB-CG2 4.07Å; L347-T349 HydrophobicContact CD1-CG2 3.95Å; L347-T349 HydrophobicContact CD2-CG2 4.32Å; L347-T349 HydrophobicContact CG-CG2 4.02Å; T349-I356 WeakPolarHBondContact O-CA 3.2Å; T349-C357 PolarHBondContact N-O 2.95Å; T349-C357 PolarHBondContact O-N 2.84Å
350G93.7Very high81.4Confident0 Ų027.9 Ų27.90%016%0.161CC..EExtended strand (participates in β ladder)trans-123.6127.8-178.300000111.1L18 W330 C331L18-G350 VanDerWaalsContact CD1-N 3.31Å; W330-G350 PolarHBondContact N-O 2.8Å; C331-G350 PolarHBondContact N-O 2.83Å; C331-G350 PolarHBondContact O-N 2.63Å
351G92.5Very high82.7Confident0 Ų023 Ų230%012%0.119CC..EExtended strand (participates in β ladder)trans-112.6166.6-17300000114.8I15 H324 N328 D353 G354 A355I15-G351 PolarHBondContact N-O 2.88Å; H324-G351 PolarHBondContact CE1-N 2.91Å; N328-G351 CarbonylContact O-C 3.45Å; G351-D353 WeakPolarHBondContact CA-OD1 3.5Å; G351-D353 PolarHBondContact O-N 2.92Å; G351-G354 PolarHBondContact O-N 3.01Å; G351-G354 VanDerWaalsContact O-N 3.1Å; G351-A355 PolarHBondContact N-O 2.76Å
352N91.7Very high83.7Confident20 Ų2020.4 Ų20.411%0.10710%0.101CC..THydrogen-bonded Turntrans-65.7-26.2169.8-163.665000112.3P14 N328 W330 G354 G839P14-N352 WeakPolarHBondContact CG-OD1 3.33Å; N328-N352 HydrophobicContact CB-CB 4.15Å; N328-N352 WeakPolarHBondContact O-CB 3.08Å; N328-N352 PolarHBondContact O-N 2.93Å; W330-N352 PolarHBondContact NE1-OD1 3.44Å; N352-G354 PolarHBondContact O-N 2.96Å; N352-G839 PolarHBondContact ND2-O 3.06Å
353D88.6Confident83.9Confident3 Ų320.8 Ų20.82%0.01610%0.1CC..THydrogen-bonded Turntrans-69.1-1.7171.162.4-4000114.3H12 H324 R325 G351 A355 S836 L837 H838H12-D353 PolarHBondContact CE1-O 3.33Å; H324-D353 VanDerWaalsContact CA-OD2 3.24Å; H324-D353 WeakPolarHBondContact CA-OD2 3.18Å; H324-D353 IonicContact CG-OD1 2.9Å; H324-D353 IonicContact CG-OD2 2.7Å; H324-D353 IonicContact ND1-OD1 3.66Å; H324-D353 PolarHBondContact ND1-OD1 3.4Å; H324-D353 IonicContact ND1-OD2 3.38Å; R325-D353 HydrophobicContact CB-CB 4.41Å; R325-D353 PolarHBondContact N-OD2 2.77Å; G351-D353 WeakPolarHBondContact CA-OD1 3.5Å; G351-D353 PolarHBondContact O-N 2.92Å; D353-A355 PolarHBondContact O-N 2.81Å; D353-A355 WeakPolarHBondContact OD1-CB 3.46Å; D353-A355 PolarHBondContact OD1-N 2.88Å; D353-S836 WeakPolarHBondContact OD2-CB 3.44Å; D353-L837 PolarHBondContact O-N 3.09Å; D353-L837 VanDerWaalsContact O-N 3.16Å; D353-H838 VanDerWaalsContact CA-O 3.32Å; D353-H838 WeakPolarHBondContact CA-O 3.26Å
354G88.8Confident83.1Confident0 Ų023.7 Ų23.70%011%0.108CC..  trans72.46.4-177.900000114.5H12 C13 I15 G351 N352 N834H12-G354 VanDerWaalsContact CE1-CA 3.42Å; H12-G354 WeakPolarHBondContact CE1-CA 3.42Å; C13-G354 VanDerWaalsContact O-CA 3.23Å; C13-G354 WeakPolarHBondContact O-CA 3.28Å; I15-G354 WeakPolarHBondContact CG1-O 3.29Å; G351-G354 PolarHBondContact O-N 3.01Å; G351-G354 VanDerWaalsContact O-N 3.1Å; N352-G354 PolarHBondContact O-N 2.96Å; G354-N834 PolarHBondContact O-ND2 2.83Å
355A89.7Confident81.5Confident0 Ų030.6 Ų30.60%013%0.129CC..  trans-74.7151.8178.300000111.4H324 G351 D353 Y832 N834H324-A355 PolarHBondContact CE1-O 3.27Å; G351-A355 PolarHBondContact N-O 2.76Å; D353-A355 PolarHBondContact O-N 2.81Å; D353-A355 WeakPolarHBondContact OD1-CB 3.46Å; D353-A355 PolarHBondContact OD1-N 2.88Å; A355-Y832 HydrophobicContact CB-CD1 4.47Å; A355-N834 WeakPolarHBondContact CA-O 3.32Å
356I91.8Very high79.2Confident1 Ų137.5 Ų37.51%0.00517%0.166CC..EExtended strand (participates in β ladder)trans-126.5109171.5-55.1164.2000107.3I15 L18 L26 V28 Y37 T349 Y832 L833 N834I15-I356 HydrophobicContact CD1-CD1 4.29Å; I15-I356 HydrophobicContact CD1-CG1 4.21Å; I15-I356 HydrophobicContact CG1-CD1 4.43Å; I15-I356 HydrophobicContact CG1-CG1 3.82Å; I15-I356 HydrophobicContact CG2-CG1 4.45Å; L18-I356 HydrophobicContact CD2-CG2 4.42Å; L26-I356 HydrophobicContact CD2-CG2 3.89Å; V28-I356 HydrophobicContact CB-CD1 4.34Å; V28-I356 HydrophobicContact CG1-CD1 3.61Å; V28-I356 HydrophobicContact CG1-CG1 4.44Å; V28-I356 HydrophobicContact CG2-CD1 3.84Å; Y37-I356 HydrophobicContact CE2-CD1 4.22Å; T349-I356 WeakPolarHBondContact O-CA 3.2Å; I356-Y832 VanDerWaalsContact O-CA 3.32Å; I356-Y832 WeakPolarHBondContact O-CA 3.37Å; I356-L833 HydrophobicContact CB-CB 4.19Å; I356-L833 HydrophobicContact CG2-CB 4.28Å; I356-L833 HydrophobicContact CG2-CD1 4.24Å; I356-L833 PolarHBondContact O-N 2.96Å; I356-N834 HydrophobicContact CD1-CB 4.11Å; I356-N834 HydrophobicContact CG1-CB 4.23Å; I356-N834 PolarHBondContact N-O 3.35Å
357C89.5Confident76.5Confident2 Ų244 Ų441%0.01420%0.201CC..EExtended strand (participates in β ladder)trans-104.5132.5179176.90000110.1I323 A348 T349 Y832I323-C357 HydrophobicContact CG2-CB 3.33Å; I323-C357 WeakPolarHBondContact CG2-SG 3.4Å; A348-C357 CarbonylContact C-O 3.59Å; A348-C357 VanDerWaalsContact CA-O 3.26Å; A348-C357 WeakPolarHBondContact CA-O 3.46Å; T349-C357 PolarHBondContact N-O 2.95Å; T349-C357 PolarHBondContact O-N 2.84Å; C357-Y832 HydrophobicContact CB-CD1 4.17Å; C357-Y832 HydrophobicContact CB-CE1 3.83Å
358I88.8Confident73.8Confident2 Ų249 Ų491%0.0123%0.234CC..EExtended strand (participates in β ladder)trans-116.3130.5173.2-61.2176.6000109L26 V39 L346 L347 A348 P830 I831 L833L26-I358 HydrophobicContact CD2-CD1 4.05Å; L26-I358 HydrophobicContact CD2-CG1 4.49Å; V39-I358 HydrophobicContact CB-CD1 4.11Å; V39-I358 HydrophobicContact CG1-CD1 3.51Å; V39-I358 HydrophobicContact CG1-CG2 4.25Å; V39-I358 HydrophobicContact CG2-CD1 3.62Å; L346-I358 HydrophobicContact CD1-CG2 3.53Å; L346-I358 HydrophobicContact CD2-CG2 4.11Å; L346-I358 HydrophobicContact CG-CG2 3.79Å; L347-I358 CarbonylContact O-C 3.56Å; L347-I358 VanDerWaalsContact O-CA 3.27Å; L347-I358 WeakPolarHBondContact O-CA 3.34Å; A348-I358 HydrophobicContact CB-CG1 4.06Å; I358-P830 CarbonylContact O-C 3.6Å; I358-P830 WeakPolarHBondContact O-CA 3.25Å; I358-I831 HydrophobicContact CB-CB 4.25Å; I358-I831 PolarHBondContact N-O 2.57Å; I358-I831 PolarHBondContact O-N 3.18Å; I358-L833 HydrophobicContact CD1-CD1 3.41Å; I358-L833 VanDerWaalsContact CD1-CD1 3.41Å; I358-L833 HydrophobicContact CD1-CD2 4.34Å; I358-L833 HydrophobicContact CD1-CG 3.74Å; I358-L833 HydrophobicContact CG1-CD1 4.39Å; I358-L833 HydrophobicContact CG1-CG 4.48Å
359R83.9Confident71Confident62 Ų6256.4 Ų56.423%0.23427%0.274CS..EExtended strand (participates in β ladder)trans-138.2133.9-179.5-169.7172-174.5155.92.1110.5F320 L347 L361F320-R359 VanDerWaalsContact CE1-CZ 3.42Å; L347-R359 PolarHBondContact N-O 2.84Å; L347-R359 PolarHBondContact O-N 3.38Å; R359-L361 HydrophobicContact CG-CD2 4.43Å
360E81.6Confident68.3Low39 Ų3964.8 Ų64.818%0.18231%0.313CS..EExtended strand (participates in β ladder)trans-85.7130.8169-166.5179.5-145.100109.7S344 V345 L346 F828S344-E360 WeakPolarHBondContact CB-OE1 3.19Å; S344-E360 PolarHBondContact OG-OE1 3.01Å; V345-E360 CarbonylContact O-C 3.55Å; V345-E360 WeakPolarHBondContact O-CA 3.24Å; L346-E360 HydrophobicContact CD1-CB 4.25Å; E360-F828 HydrophobicContact CB-CB 4.4Å; E360-F828 HydrophobicContact CB-CD2 4.45Å; E360-F828 HydrophobicContact CB-CG 4.42Å; E360-F828 WeakPolarHBondContact OE2-CD2 3.29Å; E360-F828 WeakPolarHBondContact OE2-CE2 3.24Å
361L76.5Confident65.9Low9 Ų968.3 Ų68.35%0.04734%0.338CS..EExtended strand (participates in β ladder)trans-107115.2177.8-54.9176.6000107.8Y308 F320 S344 V345 L347 R359Y308-L361 HydrophobicContact CD1-CD1 3.85Å; Y308-L361 HydrophobicContact CE1-CB 4.23Å; Y308-L361 HydrophobicContact CE1-CD1 4.02Å; Y308-L361 HydrophobicContact CG-CD1 4.1Å; F320-L361 HydrophobicContact CE1-CD2 4.34Å; F320-L361 HydrophobicContact CE2-CD2 3.84Å; F320-L361 HydrophobicContact CZ-CD2 3.38Å; S344-L361 CarbonylContact C-O 3.5Å; S344-L361 WeakPolarHBondContact CA-O 3.15Å; V345-L361 HydrophobicContact CB-CB 4.25Å; V345-L361 PolarHBondContact N-O 2.79Å; V345-L361 PolarHBondContact O-N 3.05Å; L347-L361 HydrophobicContact CB-CD1 4.01Å; L347-L361 HydrophobicContact CB-CG 4.29Å; L347-L361 HydrophobicContact CD2-CD1 4.11Å; R359-L361 HydrophobicContact CG-CD2 4.43Å
362K66.9Low64Low94 Ų9473.5 Ų73.541%0.40936%0.362SS..EExtended strand (participates in β ladder)trans-96.7129.3176.2-66.4-174.7179-176.50110.9E343 Y364E343-K362 WeakPolarHBondContact O-CA 3.43Å; K362-Y364 HydrophobicContact CB-CE2 4.29Å; K362-Y364 PolarHBondContact O-N 3.01Å
363N55.8Low62.3Low43 Ų4375.8 Ų75.823%0.2338%0.379CS..  trans-80.793.3173.9-76.2-18.3000109.9Y308 Q310 E343 R365Y308-N363 PolarHBondContact OH-OD1 2.76Å; Q310-N363 PolarHBondContact NE2-OD1 3.38Å; E343-N363 PolarHBondContact O-N 3.27Å; N363-R365 PolarHBondContact O-N 2.88Å; N363-R365 VanDerWaalsContact O-N 3.12Å
364Y45.3Very low61.1Low163 Ų16377.5 Ų77.564%0.63939%0.387SS*.  trans-68.9107.3173.4-76-87.7000111.1K362K362-Y364 HydrophobicContact CB-CE2 4.29Å; K362-Y364 PolarHBondContact O-N 3.01Å
365R38.6Very low59.9Low176 Ų17681.7 Ų81.766%0.66441%0.409SS*.  trans-83.2113.4166-79.8-179.8168.2177-0.9109.9N363N363-R365 PolarHBondContact O-N 2.88Å; N363-R365 VanDerWaalsContact O-N 3.12Å
366N31.4Very low58.7Low148 Ų14882.2 Ų82.279%0.79141%0.412SS*.SBendtrans54132.2156.8-65.1-8.7000121.7
367N32.2Very low57.1Low158 Ų15886.4 Ų86.485%0.84544%0.439SS*.  trans100.176.2166-61-1.6000116
368C34.3Very low55.4Low106 Ų10688.4 Ų88.472%0.71645%0.453SS*.  trans-157.9122.3144.5-96.10000108.4H818C368-H818 WeakPolarHBondContact CB-NE2 3.38Å
369D34.7Very low53.7Low156 Ų15692.1 Ų92.183%0.83447%0.47SS*.  trans-71165.1-177.2-74.2-44.9000112.5
370E38.6Very low51.5Low179 Ų17993.1 Ų93.184%0.83649%0.491SS*.  trans-44.9146.7-177.9-57.6176.2156.400114.4E372E370-E372 PolarHBondContact O-N 3.45Å; E370-E372 VanDerWaalsContact O-N 3.1Å
371S42.6Very low49.4Very low73 Ų7396.7 Ų96.751%0.5151%0.511SS..  trans-46.1116.1172.2-520000111.5C373 D816S371-C373 PolarHBondContact O-N 3.35Å; S371-C373 VanDerWaalsContact O-N 3.1Å; S371-D816 PolarHBondContact OG-OD2 2.92Å
372E52Low47.3Very low110 Ų110100.9 Ų100.951%0.51454%0.537SS..EExtended strand (participates in β ladder)trans-71109.1177.9-74.9-165.7171.600110.6E370 Y441E370-E372 PolarHBondContact O-N 3.45Å; E370-E372 VanDerWaalsContact O-N 3.1Å; E372-Y441 PolarHBondContact OE2-OH 2.82Å
373C57.2Low45.6Very low67 Ų67103.8 Ų103.845%0.45355%0.554SS.*EExtended strand (participates in β ladder)trans-105.5104.1169.1-176.80000108.3S371S371-C373 PolarHBondContact O-N 3.35Å; S371-C373 VanDerWaalsContact O-N 3.1Å
374I62.1Low44.5Very low39 Ų39108.3 Ų108.320%0.258%0.578CS.*EExtended strand (participates in β ladder)trans-92.6118.9179-60.2175.3000108.7L376 Y439 Y441 I813I374-L376 HydrophobicContact CG2-CD2 3.96Å; I374-Y439 WeakPolarHBondContact CD1-OH 3.27Å; I374-Y441 HydrophobicContact CD1-CD2 3.7Å; I374-Y441 HydrophobicContact CD1-CE2 3.61Å; I374-I813 HydrophobicContact CB-CB 4.34Å; I374-I813 PolarHBondContact N-O 2.91Å; I374-I813 PolarHBondContact O-N 3.17Å
375I64.8Low44Very low89 Ų89107.5 Ų107.546%0.45659%0.585SS.*EExtended strand (participates in β ladder)trans-106.5111.1176.6-56.4177.5000108.4K810I375-K810 HydrophobicContact CG2-CB 4.04Å; I375-K810 HydrophobicContact CG2-CD 3.63Å; I375-K810 HydrophobicContact CG2-CG 4.41Å
376L65.4Low43.8Very low11 Ų11104.8 Ų104.86%0.05859%0.588CS.*EExtended strand (participates in β ladder)trans-78.8129.4175.4-56-179.9000109.9I374 Y429 Y439 V447 V811 I813I374-L376 HydrophobicContact CG2-CD2 3.96Å; L376-Y429 HydrophobicContact CD1-CE1 3.9Å; L376-Y439 HydrophobicContact CD1-CD2 4.39Å; L376-Y439 HydrophobicContact CD1-CG 4.08Å; L376-Y439 HydrophobicContact CD2-CD2 4.05Å; L376-Y439 HydrophobicContact CD2-CE2 4.13Å; L376-Y439 HydrophobicContact CD2-CG 4.47Å; L376-V447 HydrophobicContact CD1-CG2 4.03Å; L376-V447 HydrophobicContact CD2-CG2 3.65Å; L376-V447 HydrophobicContact CG-CG2 4.3Å; L376-V811 HydrophobicContact CB-CB 4.22Å; L376-V811 HydrophobicContact CD1-CB 4.26Å; L376-V811 HydrophobicContact CD1-CG1 4.19Å; L376-V811 HydrophobicContact CG-CB 4.46Å; L376-V811 PolarHBondContact N-O 3.4Å; L376-I813 HydrophobicContact CD1-CD1 4.2Å; L376-I813 HydrophobicContact CG-CD1 4.5Å
377P56.6Low44.1Very low88 Ų88106.6 Ų106.657%0.57159%0.589SS**PPolyproline II helixtrans-69.4137.2-175.326-32.6000111.8H379P377-H379 PolarHBondContact O-N 3.43Å
378C54Low44.3Very low45 Ų45107.1 Ų107.130%0.30459%0.586SS.*PPolyproline II helixtrans-64129157.9-57.80000107.6A380 D414 G809C378-A380 VanDerWaalsContact C-N 3.3Å; C378-A380 PolarHBondContact O-N 2.98Å; C378-D414 WeakPolarHBondContact CB-O 3.24Å; C378-G809 VanDerWaalsContact SG-C 3.58Å; C378-G809 PolarHBondContact SG-O 2.79Å
379H52.5Low44.3Very low80 Ų80107.6 Ų107.637%0.3759%0.591SS.*  trans-65.487.9-179.4-63.9-70.6000110.6P377 L381 Y437P377-H379 PolarHBondContact O-N 3.43Å; H379-L381 PolarHBondContact O-N 2.79Å; H379-Y437 AromaticContact CD2-CE1 3.78Å; H379-Y437 AromaticContact CD2-CE2 3.88Å; H379-Y437 AromaticContact CD2-CZ 3.32Å; H379-Y437 PolarHBondContact CD2-OH 2.83Å; H379-Y437 AromaticContact NE2-CD1 3.79Å; H379-Y437 AromaticContact NE2-CE1 3.11Å; H379-Y437 WeakPolarHBondContact NE2-CE1 3.45Å; H379-Y437 AromaticContact NE2-CE2 3.95Å; H379-Y437 AromaticContact NE2-CZ 3.2Å; H379-Y437 PolarHBondContact NE2-OH 2.87Å
380A38.6Very low44.3Very low82 Ų82108.3 Ų108.368%0.67859%0.591SS**  trans-73.5105.716900000108.1C378 T382C378-A380 VanDerWaalsContact C-N 3.3Å; C378-A380 PolarHBondContact O-N 2.98Å; A380-T382 PolarHBondContact O-N 3.07Å
381L37.6Very low44.1Very low114 Ų114107.8 Ų107.860%0.59759%0.591SS**  trans-64.398.2164.7-75.1161.4000107.6H379 M383H379-L381 PolarHBondContact O-N 2.79Å; L381-M383 PolarHBondContact O-N 2.8Å
382T32.3Very low43.8Very low97 Ų97111.8 Ų111.860%0.59561%0.606SS**  trans-69.9109.3177.7350000110.3A380 N384A380-T382 PolarHBondContact O-N 3.07Å; T382-N384 PolarHBondContact O-N 2.9Å
383M31.8Very low43Very low155 Ų155110.5 Ų110.576%0.76461%0.61SS**  trans-67106.4157-78.7-80.1-179.400108.1L381 N385 N409L381-M383 PolarHBondContact O-N 2.8Å; M383-N385 PolarHBondContact O-N 3.37Å; M383-N409 WeakPolarHBondContact CE-OD1 3.48Å
384N31.7Very low41.9Very low138 Ų138116.3 Ų116.374%0.73863%0.63SS**  trans-70.3122.7160.5-81.2-17.5000108T382T382-N384 PolarHBondContact O-N 2.9Å
385N35Very low40.5Very low147 Ų147123.7 Ų123.779%0.78666%0.663SS**  trans-168.3116135.9-92.2-21.3000111.8M383M383-N385 PolarHBondContact O-N 3.37Å
386T35.3Very low39.1Very low119 Ų119130 Ų13073%0.7369%0.687SS**  trans79.9119142.761.30000121.3
387K37.5Very low37.4Very low185 Ų185138.9 Ų138.980%0.80473%0.726SS**  trans72.2139.4150.7-62.9178-178.3-172.50117.1
388E36Very low36.4Very low169 Ų169142.8 Ų142.879%0.7974%0.74SS**  cis179.3157.6-15.2-118.3167.7166.800103.1
389S33.9Very low35.2Very low117 Ų117148.7 Ų148.782%0.81877%0.765SS**  trans73.5132.2163169.30000118.3
390M35.7Very low34.1Very low171 Ų171150.3 Ų150.384%0.84279%0.786SS**  cis179.3153.9-15.1-121.3-173171.200106.2
391M33.8Very low33.8Very low168 Ų168152.1 Ų152.183%0.82879%0.79SS**  trans80.995.1170.5-61.7-167.3160.600117.2
392N36.2Very low33.4Very low156 Ų156152.9 Ų152.983%0.83480%0.803SS**  67134.669.3-70.3-4.4000113.6
393S34.9Very low33.3Very low84 Ų84152.4 Ų152.459%0.58780%0.804SS**  cis174.8138.8-13.446.10000106.7
394H35.2Very low33.4Very low188 Ų188154.6 Ų154.687%0.8781%0.813SS**  trans173.781.5131.1-88.1-49.8000110.6
395E31.2Very low33.4Very low194 Ų194154.4 Ų154.491%0.90781%0.807SS**  trans-133.4130.1155.1-89.8-176.4171.700108.6K397E395-K397 PolarHBondContact O-N 2.86Å
396K35.8Very low33.1Very low221 Ų221153.9 Ų153.996%0.96180%0.803SS**PPolyproline II helixtrans-70.6117.1-178.7-83.2175.3173.5174.90109.6
397K30.6Very low32.9Very low198 Ų198153.5 Ų153.586%0.86181%0.806SS**PPolyproline II helixtrans-86.5121.9175.5-130.8174.9-176.2176.80109.5E395E395-K397 PolarHBondContact O-N 2.86Å
398I35.5Very low32.8Very low171 Ų171148 Ų14888%0.87778%0.784SS**PPolyproline II helixtrans-92.1124.2157.1-66.6176000106.9
399M29Very low32.6Very low169 Ų169146.5 Ų146.583%0.83378%0.782SS**PPolyproline II helixtrans-77.8136.2-176.1-70.2172.452.900111.7
400S28.7Very low32.8Very low114 Ų114147.5 Ų147.580%0.79777%0.771SS**  trans-109.1138.1154610000109.7
401P31.9Very low33.2Very low119 Ų119150 Ų15077%0.77378%0.778SS**  trans-97.2141.9-17823.7-8.9000113.8
402C30.1Very low34.4Very low130 Ų130148.3 Ų148.388%0.87877%0.768SS**  trans68.689.7140.6-139.10000119.9
403S30.6Very low35.7Very low88 Ų88149.8 Ų149.862%0.61577%0.767SS**  trans-77.5127.5155.7540000111.9Q405S403-Q405 PolarHBondContact O-N 2.87Å
404Q32.8Very low37.6Very low201 Ų201146.8 Ų146.894%0.93974%0.744SS**  trans-74.3100.6152.1-79.9-179.3-16.300108I406Q404-I406 PolarHBondContact O-N 2.89Å
405Q31Very low39.9Very low133 Ų133141.4 Ų141.462%0.62172%0.718SS**  trans-79.5113.2175.7-81.9-179.8-31.500110.3S403S403-Q405 PolarHBondContact O-N 2.87Å
406I29.6Very low42.4Very low136 Ų136132.5 Ų132.570%0.69768%0.678SS**  trans-89.8109.4158.2-60.2172.2000106.1Q404 I408Q404-I406 PolarHBondContact O-N 2.89Å; I406-I408 HydrophobicContact CG2-CD1 4.45Å; I406-I408 HydrophobicContact CG2-CG1 4.12Å; I406-I408 PolarHBondContact O-N 3.41Å
407S30.5Very low44.8Very low112 Ų112125.5 Ų125.578%0.78365%0.645SS**  trans-77.2107.8177.258.60000110.4
408I36Very low47.6Very low68 Ų68116.1 Ų116.135%0.34961%0.605SS.*  trans-113.5120.7166-52.3171000107.3I406 F410 F470I406-I408 HydrophobicContact CG2-CD1 4.45Å; I406-I408 HydrophobicContact CG2-CG1 4.12Å; I406-I408 PolarHBondContact O-N 3.41Å; I408-F410 HydrophobicContact CB-CD2 4.4Å; I408-F410 HydrophobicContact CB-CE2 4.32Å; I408-F410 HydrophobicContact CG2-CD2 3.88Å; I408-F410 HydrophobicContact CG2-CE2 3.55Å; I408-F410 HydrophobicContact CG2-CZ 4.39Å; I408-F410 PolarHBondContact O-N 3.27Å; I408-F410 VanDerWaalsContact O-N 3.09Å; I408-F470 HydrophobicContact CD1-CE1 4.09Å; I408-F470 HydrophobicContact CD1-CZ 3.65Å; I408-F470 HydrophobicContact CG1-CE1 4.32Å; I408-F470 HydrophobicContact CG1-CZ 4.2Å
409N31.3Very low50.3Low139 Ų139108.2 Ų108.274%0.74356%0.564SS**  trans-67.699.7177.2-95-20.5000110.7M383M383-N409 WeakPolarHBondContact CE-OD1 3.48Å
410F37.6Very low53.3Low137 Ų137100.3 Ų100.360%0.60153%0.525SS*.  trans-110.4129.4160.5-77.1-79.1000109.7I408 E412I408-F410 HydrophobicContact CB-CD2 4.4Å; I408-F410 HydrophobicContact CB-CE2 4.32Å; I408-F410 HydrophobicContact CG2-CD2 3.88Å; I408-F410 HydrophobicContact CG2-CE2 3.55Å; I408-F410 HydrophobicContact CG2-CZ 4.39Å; I408-F410 PolarHBondContact O-N 3.27Å; I408-F410 VanDerWaalsContact O-N 3.09Å; F410-E412 PolarHBondContact O-N 3.5Å
411K46Very low56.3Low224 Ų22495.1 Ų95.197%0.97449%0.488SS*.SBendtrans-73.6-6.6175.2-89.9-178.2173.8179.20113.4
412E57.2Low58.9Low133 Ų13389.6 Ų89.662%0.62145%0.452SS*.SBendtrans-103.1138.3-174.1-64.9-173174.500111.6F410F410-E412 PolarHBondContact O-N 3.5Å
413K65.2Low61.4Low187 Ų18786 Ų8681%0.81343%0.429SS*.PPolyproline II helixtrans-69.2132.4173.8-70.9-178.7177178.70109.5F415 N432K413-F415 WeakPolarHBondContact O-CD1 2.95Å; K413-N432 PolarHBondContact O-ND2 2.86Å; K413-N432 PolarHBondContact O-OD1 3.03Å
414D74.9Confident63.7Low20 Ų2083.8 Ų83.811%0.10741%0.413CS..PPolyproline II helixtrans-82.5128.2172.9-167.727.5000110.2C378 T431 N432 L433C378-D414 WeakPolarHBondContact CB-O 3.24Å; D414-T431 WeakPolarHBondContact OD1-CB 3.46Å; D414-T431 PolarHBondContact OD1-OG1 3.18Å; D414-N432 WeakPolarHBondContact CA-OD1 3.42Å; D414-N432 PolarHBondContact OD1-OD1 3.19Å; D414-L433 HydrophobicContact CB-CD1 3.74Å; D414-L433 HydrophobicContact CB-CG 4.37Å
415F81.7Confident66Low75 Ų7574.8 Ų74.833%0.32937%0.374SS..  trans-148.4147.4-179.862-91000111.9K413 R417 T431 N432K413-F415 WeakPolarHBondContact O-CD1 2.95Å; F415-R417 HydrophobicContact CD2-CG 4.05Å; F415-R417 HydrophobicContact CE2-CG 3.74Å; F415-T431 CarbonylContact O-C 3.58Å; F415-T431 VanDerWaalsContact O-CA 3.23Å; F415-T431 WeakPolarHBondContact O-CA 3.36Å; F415-T431 WeakPolarHBondContact O-CB 3.47Å; F415-N432 HydrophobicContact CD1-CB 4.22Å; F415-N432 WeakPolarHBondContact CD1-OD1 3.4Å; F415-N432 HydrophobicContact CD2-CB 4.46Å; F415-N432 HydrophobicContact CE1-CB 3.85Å; F415-N432 VanDerWaalsContact CE1-CG 3.48Å; F415-N432 WeakPolarHBondContact CE1-ND2 3.37Å; F415-N432 HydrophobicContact CE2-CB 4.12Å; F415-N432 HydrophobicContact CZ-CB 3.81Å; F415-N432 PolarHBondContact N-OD1 2.97Å; F415-N432 PolarHBondContact O-N 2.82Å; F415-N432 PolarHBondContact O-OD1 2.8Å
416A85.4Confident68.7Low7 Ų769.5 Ų69.56%0.05835%0.348CS..EExtended strand (participates in β ladder)trans-67137.417800000110.8Y429 I806 G809 V811A416-Y429 HydrophobicContact CB-CD2 3.94Å; A416-I806 HydrophobicContact CB-CD1 3.94Å; A416-I806 HydrophobicContact CB-CG1 4.37Å; A416-I806 HydrophobicContact CB-CG2 4.34Å; A416-I806 WeakPolarHBondContact O-CG2 3.44Å; A416-G809 PolarHBondContact N-O 3.37Å; A416-G809 VanDerWaalsContact N-O 3.1Å; A416-V811 HydrophobicContact CB-CG2 3.66Å
417R85.6Confident71.5Confident75 Ų7563 Ų6328%0.28332%0.315SS..EExtended strand (participates in β ladder)trans-116-37.5178.1-76.1-161.7173.1-165.60.9113.8F415 L430 N432 G484 Y755F415-R417 HydrophobicContact CD2-CG 4.05Å; F415-R417 HydrophobicContact CE2-CG 3.74Å; R417-L430 PolarHBondContact N-O 3.26Å; R417-N432 HydrophobicContact CG-CB 4.14Å; R417-N432 VanDerWaalsContact NE-CB 3.26Å; R417-G484 VanDerWaalsContact CD-O 3.27Å; R417-G484 WeakPolarHBondContact CD-O 3.23Å; R417-G484 PolarHBondContact NH1-O 3.44Å; R417-Y755 WeakPolarHBondContact O-CD2 3.49Å
418V89.4Confident74.4Confident1 Ų157.9 Ų57.91%0.00628%0.279CS..EExtended strand (participates in β ladder)trans-136.3141.8-175.2-179.20000108.2Y429 L430 L486 C488 Y755V418-Y429 CarbonylContact O-C 3.36Å; V418-Y429 WeakPolarHBondContact O-CA 3.17Å; V418-Y429 WeakPolarHBondContact O-CB 3.43Å; V418-L430 HydrophobicContact CB-CD1 4.48Å; V418-L430 PolarHBondContact N-O 2.89Å; V418-L430 PolarHBondContact O-N 2.92Å; V418-L486 HydrophobicContact CG2-CB 4.18Å; V418-L486 WeakPolarHBondContact CG2-O 3.3Å; V418-C488 HydrophobicContact CG1-CB 4Å; V418-C488 WeakPolarHBondContact CG1-SG 3.11Å; V418-Y755 HydrophobicContact CB-CE1 4.41Å; V418-Y755 HydrophobicContact CG1-CD1 4.35Å; V418-Y755 HydrophobicContact CG1-CE1 3.81Å; V418-Y755 HydrophobicContact CG2-CE1 4.45Å; V418-Y755 HydrophobicContact CG2-CE2 4.12Å
419L91.9Very high77Confident4 Ų455.1 Ų55.12%0.02126%0.264CS..EExtended strand (participates in β ladder)trans-140.4155.4172.264.573.2000111.3L427 F428 D757 A804 I806 V811L419-L427 HydrophobicContact CB-CD1 4.21Å; L419-L427 HydrophobicContact CD1-CD1 4.21Å; L419-F428 CarbonylContact C-O 3.46Å; L419-F428 WeakPolarHBondContact CA-O 3.29Å; L419-F428 WeakPolarHBondContact CB-O 3.34Å; L419-D757 HydrophobicContact CD1-CB 3.65Å; L419-A804 HydrophobicContact CD1-CB 4.15Å; L419-A804 HydrophobicContact CD2-CB 4.11Å; L419-I806 HydrophobicContact CB-CD1 4.43Å; L419-I806 HydrophobicContact CD2-CD1 4.16Å; L419-I806 HydrophobicContact CD2-CG1 3.48Å; L419-I806 VanDerWaalsContact CD2-CG1 3.48Å; L419-I806 HydrophobicContact CG-CD1 4.21Å; L419-I806 HydrophobicContact CG-CG1 4.02Å; L419-V811 HydrophobicContact CD2-CG1 4.01Å
420F92.4Very high79.8Confident3 Ų348.6 Ų48.61%0.01323%0.229CC..EExtended strand (participates in β ladder)trans-161.6154.7175.558.8-89.8000111.6F428 L430 C488 T490 V497 L511 M518 D757F420-F428 HydrophobicContact CD1-CB 4.4Å; F420-F428 HydrophobicContact CD2-CB 4.08Å; F420-F428 HydrophobicContact CD2-CD2 4.22Å; F420-F428 HydrophobicContact CD2-CG 4.5Å; F420-F428 HydrophobicContact CE1-CB 3.95Å; F420-F428 HydrophobicContact CE2-CB 3.56Å; F420-F428 AromaticContact CE2-CD2 3.73Å; F420-F428 HydrophobicContact CE2-CD2 3.73Å; F420-F428 AromaticContact CE2-CG 3.79Å; F420-F428 HydrophobicContact CE2-CG 3.79Å; F420-F428 HydrophobicContact CG-CB 4.47Å; F420-F428 HydrophobicContact CZ-CB 3.49Å; F420-F428 VanDerWaalsContact CZ-CB 3.49Å; F420-F428 HydrophobicContact CZ-CD2 4.43Å; F420-F428 HydrophobicContact CZ-CG 4.02Å; F420-F428 PolarHBondContact N-O 3.13Å; F420-F428 PolarHBondContact O-N 2.97Å; F420-L430 HydrophobicContact CE1-CD1 3.77Å; F420-C488 VanDerWaalsContact CD1-SG 3.53Å; F420-T490 HydrophobicContact CB-CG2 3.78Å; F420-T490 HydrophobicContact CD2-CG2 3.75Å; F420-T490 HydrophobicContact CG-CG2 3.96Å; F420-V497 HydrophobicContact CD1-CG2 4.35Å; F420-V497 HydrophobicContact CD2-CG2 4.38Å; F420-V497 HydrophobicContact CE1-CG2 4.15Å; F420-V497 HydrophobicContact CE2-CB 4.21Å; F420-V497 HydrophobicContact CE2-CG1 4.05Å; F420-V497 HydrophobicContact CE2-CG2 4.2Å; F420-V497 HydrophobicContact CG-CG2 4.46Å; F420-V497 HydrophobicContact CZ-CB 4.33Å; F420-V497 HydrophobicContact CZ-CG1 3.88Å; F420-V497 HydrophobicContact CZ-CG2 4.08Å; F420-L511 HydrophobicContact CD2-CD1 4.26Å; F420-L511 HydrophobicContact CE2-CD1 3.81Å; F420-L511 HydrophobicContact CE2-CD2 3.88Å; F420-L511 HydrophobicContact CZ-CD2 4.38Å; F420-M518 HydrophobicContact CZ-CE 4.16Å; F420-D757 VanDerWaalsContact CA-OD2 3.32Å; F420-D757 WeakPolarHBondContact CA-OD2 3.32Å
421F90.7Very high82.1Confident6 Ų642.2 Ų42.23%0.02620%0.202CC..EExtended strand (participates in β ladder)trans-95.3138.6172.3-69.6-78.2000112.1G425 R426 L427 R494 D757 F759 V802 A804F421-G425 VanDerWaalsContact CD1-O 3.32Å; F421-G425 WeakPolarHBondContact CD1-O 3.32Å; F421-R426 CarbonylContact C-O 3.53Å; F421-R426 WeakPolarHBondContact CA-O 3.47Å; F421-L427 HydrophobicContact CD1-CB 4Å; F421-L427 HydrophobicContact CD1-CD1 4.1Å; F421-L427 HydrophobicContact CD2-CD1 4.4Å; F421-L427 HydrophobicContact CE1-CB 3.78Å; F421-L427 HydrophobicContact CE1-CD1 3.91Å; F421-L427 HydrophobicContact CE1-CG 4.36Å; F421-L427 HydrophobicContact CE2-CD1 4.22Å; F421-L427 HydrophobicContact CG-CD1 4.35Å; F421-L427 HydrophobicContact CZ-CD1 3.97Å; F421-R494 PolarHBondContact O-NH1 3.36Å; F421-D757 HydrophobicContact CD2-CB 3.82Å; F421-D757 HydrophobicContact CE2-CB 4.23Å; F421-D757 PolarHBondContact N-OD2 3.35Å; F421-F759 HydrophobicContact CB-CB 4.16Å; F421-F759 HydrophobicContact CB-CD2 4.12Å; F421-F759 HydrophobicContact CB-CG 4.38Å; F421-F759 HydrophobicContact CD1-CB 4.18Å; F421-F759 HydrophobicContact CD2-CB 3.68Å; F421-F759 HydrophobicContact CE1-CB 4.47Å; F421-F759 HydrophobicContact CE2-CB 4.02Å; F421-F759 HydrophobicContact CG-CB 3.76Å; F421-F759 HydrophobicContact CG-CG 4.35Å; F421-F759 HydrophobicContact CZ-CB 4.41Å; F421-V802 HydrophobicContact CE1-CG1 4.29Å; F421-V802 HydrophobicContact CZ-CB 4.28Å; F421-V802 HydrophobicContact CZ-CG1 3.8Å; F421-A804 HydrophobicContact CE2-CB 3.84Å; F421-A804 HydrophobicContact CZ-CB 3.74Å
422G87.4Confident83.9Confident2 Ų232.1 Ų32.12%0.02116%0.158CC..  trans-81.9176.2165.600000113.1C424 G425 R426G422-C424 VanDerWaalsContact C-N 3.28Å; G422-C424 PolarHBondContact O-N 3.36Å; G422-G425 PolarHBondContact O-N 3.1Å; G422-R426 PolarHBondContact N-O 2.88Å
423S82.2Confident85.1Confident54 Ų5428 Ų2838%0.37814%0.14SC..THydrogen-bonded Turntrans-53.6-36.6-176.956.30000114.8G425 D493 R494S423-G425 VanDerWaalsContact C-N 3.32Å; S423-G425 PolarHBondContact O-N 2.86Å; S423-D493 WeakPolarHBondContact CB-O 3.28Å; S423-R494 PolarHBondContact N-O 2.85Å; S423-R494 VanDerWaalsContact N-O 3.08Å
424C78.9Confident85.8Confident43 Ų4319.6 Ų19.629%0.29111%0.106SC..THydrogen-bonded Turntrans-83.80179.858.50000114.6G422 F440G422-C424 VanDerWaalsContact C-N 3.28Å; G422-C424 PolarHBondContact O-N 3.36Å; C424-F440 HydrophobicContact CB-CE2 4.29Å; C424-F440 WeakPolarHBondContact O-CE2 3.32Å; C424-F440 WeakPolarHBondContact O-CZ 3.38Å
425G80.3Confident86.3Confident12 Ų1220.9 Ų20.912%0.12411%0.113CC..SBendtrans87.511.9-173.600000114F421 G422 S423 F759F421-G425 VanDerWaalsContact CD1-O 3.32Å; F421-G425 WeakPolarHBondContact CD1-O 3.32Å; G422-G425 PolarHBondContact O-N 3.1Å; S423-G425 VanDerWaalsContact C-N 3.32Å; S423-G425 PolarHBondContact O-N 2.86Å; G425-F759 VanDerWaalsContact CA-CZ 3.41Å; G425-F759 VanDerWaalsContact N-CZ 3.32Å
426R87.5Confident86.5Confident21 Ų2117.6 Ų17.68%0.07910%0.099CC..  trans-74.9124174.4-171.5169.6-76.8155.5-1.9111.6F421 G422 F428 T438 F440 E513F421-R426 CarbonylContact C-O 3.53Å; F421-R426 WeakPolarHBondContact CA-O 3.47Å; G422-R426 PolarHBondContact N-O 2.88Å; R426-F428 HydrophobicContact CB-CE2 4.08Å; R426-F428 HydrophobicContact CG-CE2 3.99Å; R426-F428 HydrophobicContact CG-CZ 4.17Å; R426-F428 WeakPolarHBondContact O-CD2 3.45Å; R426-T438 WeakPolarHBondContact CD-OG1 3.26Å; R426-T438 WeakPolarHBondContact CG-OG1 3.48Å; R426-F440 VanDerWaalsContact CA-CD2 3.49Å; R426-F440 HydrophobicContact CB-CD2 3.51Å; R426-F440 HydrophobicContact CB-CE2 4.03Å; R426-F440 HydrophobicContact CG-CB 4.32Å; R426-F440 HydrophobicContact CG-CD2 3.96Å; R426-E513 PolarHBondContact NH1-O 2.97Å; R426-E513 PolarHBondContact NH2-O 2.78Å
427L89.3Confident86.6Confident1 Ų118.2 Ų18.21%0.00510%0.1CC..EExtended strand (participates in β ladder)trans-80.5133.4176.8-175.364.9000109.6L419 F421 T438 Y439 A804 V811 I813L419-L427 HydrophobicContact CB-CD1 4.21Å; L419-L427 HydrophobicContact CD1-CD1 4.21Å; F421-L427 HydrophobicContact CD1-CB 4Å; F421-L427 HydrophobicContact CD1-CD1 4.1Å; F421-L427 HydrophobicContact CD2-CD1 4.4Å; F421-L427 HydrophobicContact CE1-CB 3.78Å; F421-L427 HydrophobicContact CE1-CD1 3.91Å; F421-L427 HydrophobicContact CE1-CG 4.36Å; F421-L427 HydrophobicContact CE2-CD1 4.22Å; F421-L427 HydrophobicContact CG-CD1 4.35Å; F421-L427 HydrophobicContact CZ-CD1 3.97Å; L427-T438 CarbonylContact O-C 3.56Å; L427-T438 WeakPolarHBondContact O-CA 3.17Å; L427-T438 PolarHBondContact O-OG1 3.26Å; L427-Y439 PolarHBondContact N-O 3.35Å; L427-Y439 PolarHBondContact O-N 3.24Å; L427-A804 HydrophobicContact CD1-CB 3.81Å; L427-A804 HydrophobicContact CD2-CB 3.98Å; L427-V811 HydrophobicContact CD2-CG1 3.72Å; L427-I813 HydrophobicContact CD2-CD1 3.59Å; L427-I813 HydrophobicContact CD2-CG1 3.88Å
428F91.3Very high86.7Confident3 Ų314.8 Ų14.81%0.0139%0.088CC..EExtended strand (participates in β ladder)trans-117.7143.6168.5-64.7-94.5000108.8L419 F420 R426 Y437 T438 V450 L511 F517 M518L419-F428 CarbonylContact C-O 3.46Å; L419-F428 WeakPolarHBondContact CA-O 3.29Å; L419-F428 WeakPolarHBondContact CB-O 3.34Å; F420-F428 HydrophobicContact CD1-CB 4.4Å; F420-F428 HydrophobicContact CD2-CB 4.08Å; F420-F428 HydrophobicContact CD2-CD2 4.22Å; F420-F428 HydrophobicContact CD2-CG 4.5Å; F420-F428 HydrophobicContact CE1-CB 3.95Å; F420-F428 HydrophobicContact CE2-CB 3.56Å; F420-F428 AromaticContact CE2-CD2 3.73Å; F420-F428 HydrophobicContact CE2-CD2 3.73Å; F420-F428 AromaticContact CE2-CG 3.79Å; F420-F428 HydrophobicContact CE2-CG 3.79Å; F420-F428 HydrophobicContact CG-CB 4.47Å; F420-F428 HydrophobicContact CZ-CB 3.49Å; F420-F428 VanDerWaalsContact CZ-CB 3.49Å; F420-F428 HydrophobicContact CZ-CD2 4.43Å; F420-F428 HydrophobicContact CZ-CG 4.02Å; F420-F428 PolarHBondContact N-O 3.13Å; F420-F428 PolarHBondContact O-N 2.97Å; R426-F428 HydrophobicContact CB-CE2 4.08Å; R426-F428 HydrophobicContact CG-CE2 3.99Å; R426-F428 HydrophobicContact CG-CZ 4.17Å; R426-F428 WeakPolarHBondContact O-CD2 3.45Å; F428-Y437 CarbonylContact C-O 3.58Å; F428-Y437 VanDerWaalsContact CA-O 3.29Å; F428-Y437 WeakPolarHBondContact CA-O 3.48Å; F428-T438 WeakPolarHBondContact CE1-OG1 3.49Å; F428-V450 HydrophobicContact CD1-CG2 4.41Å; F428-V450 HydrophobicContact CE1-CG2 4.37Å; F428-L511 HydrophobicContact CE2-CD2 4.38Å; F428-L511 HydrophobicContact CZ-CD2 4.42Å; F428-F517 HydrophobicContact CE1-CB 3.92Å; F428-F517 HydrophobicContact CZ-CB 4.22Å; F428-M518 HydrophobicContact CD1-CG 4.38Å; F428-M518 HydrophobicContact CD1-SD 3.94Å; F428-M518 HydrophobicContact CE1-CG 4Å; F428-M518 HydrophobicContact CE1-SD 4.16Å
429Y90.3Very high86.5Confident10 Ų1015.4 Ų15.44%0.0399%0.09CC..EExtended strand (participates in β ladder)trans-142.5144.9171.266.6-89.1000112.2L376 A416 V418 T431 Y437 V447 V811L376-Y429 HydrophobicContact CD1-CE1 3.9Å; A416-Y429 HydrophobicContact CB-CD2 3.94Å; V418-Y429 CarbonylContact O-C 3.36Å; V418-Y429 WeakPolarHBondContact O-CA 3.17Å; V418-Y429 WeakPolarHBondContact O-CB 3.43Å; Y429-T431 HydrophobicContact CD2-CG2 4.42Å; Y429-T431 HydrophobicContact CE2-CG2 4.32Å; Y429-Y437 HydrophobicContact CD2-CD2 4.2Å; Y429-Y437 HydrophobicContact CE1-CG 4.31Å; Y429-Y437 AromaticContact CE2-CD2 3.53Å; Y429-Y437 HydrophobicContact CE2-CD2 3.53Å; Y429-Y437 HydrophobicContact CE2-CE2 4.48Å; Y429-Y437 AromaticContact CE2-CG 3.77Å; Y429-Y437 HydrophobicContact CE2-CG 3.77Å; Y429-Y437 AromaticContact CZ-CD2 3.91Å; Y429-Y437 AromaticContact CZ-CG 3.64Å; Y429-Y437 PolarHBondContact N-O 2.84Å; Y429-Y437 PolarHBondContact O-N 2.93Å; Y429-Y437 WeakPolarHBondContact OH-CB 3.38Å; Y429-V447 HydrophobicContact CE1-CG1 4.33Å; Y429-V447 VanDerWaalsContact OH-CG1 3.26Å; Y429-V447 WeakPolarHBondContact OH-CG1 3.48Å; Y429-V811 HydrophobicContact CD1-CG2 4.15Å; Y429-V811 HydrophobicContact CD2-CG2 4.1Å; Y429-V811 HydrophobicContact CE2-CG2 4.48Å; Y429-V811 HydrophobicContact CG-CG2 3.91Å
430L89.9Confident85.9Confident2 Ų216.2 Ų16.21%0.019%0.093CC..EExtended strand (participates in β ladder)trans-109.5139.2177.7-67.395.6000110.6R417 V418 F420 L435 I436 L482 L486 I499R417-L430 PolarHBondContact N-O 3.26Å; V418-L430 HydrophobicContact CB-CD1 4.48Å; V418-L430 PolarHBondContact N-O 2.89Å; V418-L430 PolarHBondContact O-N 2.92Å; F420-L430 HydrophobicContact CE1-CD1 3.77Å; L430-L435 CarbonylContact C-O 3.55Å; L430-L435 WeakPolarHBondContact CA-O 3.29Å; L430-I436 HydrophobicContact CD2-CD1 4.3Å; L430-I436 HydrophobicContact CD2-CG1 3.93Å; L430-I436 HydrophobicContact CG-CG1 4.08Å; L430-L482 HydrophobicContact CD2-CD2 4.01Å; L430-L486 HydrophobicContact CB-CD1 4.5Å; L430-L486 HydrophobicContact CD2-CD1 3.88Å; L430-I499 HydrophobicContact CD1-CD1 4.32Å; L430-I499 HydrophobicContact CD2-CD1 4.07Å
431T86.9Confident84.8Confident4 Ų419.7 Ų19.73%0.02511%0.107CC..EExtended strand (participates in β ladder)trans-97.8166179.1810000113D414 F415 Y429 L433 G434 L435 Y437D414-T431 WeakPolarHBondContact OD1-CB 3.46Å; D414-T431 PolarHBondContact OD1-OG1 3.18Å; F415-T431 CarbonylContact O-C 3.58Å; F415-T431 VanDerWaalsContact O-CA 3.23Å; F415-T431 WeakPolarHBondContact O-CA 3.36Å; F415-T431 WeakPolarHBondContact O-CB 3.47Å; Y429-T431 HydrophobicContact CD2-CG2 4.42Å; Y429-T431 HydrophobicContact CE2-CG2 4.32Å; T431-L433 PolarHBondContact O-N 3.07Å; T431-L433 PolarHBondContact OG1-N 3.4Å; T431-G434 PolarHBondContact O-N 3.37Å; T431-L435 HydrophobicContact CG2-CB 4.37Å; T431-L435 PolarHBondContact N-O 2.99Å; T431-L435 PolarHBondContact OG1-N 2.86Å; T431-Y437 HydrophobicContact CG2-CD2 3.84Å; T431-Y437 HydrophobicContact CG2-CE2 3.69Å
432N83.5Confident83.6Confident12 Ų1224.3 Ų24.36%0.06413%0.131CC..THydrogen-bonded Turntrans-60.3-23.6176.164.7-56.6000114K413 D414 F415 R417 G434 G484K413-N432 PolarHBondContact O-ND2 2.86Å; K413-N432 PolarHBondContact O-OD1 3.03Å; D414-N432 WeakPolarHBondContact CA-OD1 3.42Å; D414-N432 PolarHBondContact OD1-OD1 3.19Å; F415-N432 HydrophobicContact CD1-CB 4.22Å; F415-N432 WeakPolarHBondContact CD1-OD1 3.4Å; F415-N432 HydrophobicContact CD2-CB 4.46Å; F415-N432 HydrophobicContact CE1-CB 3.85Å; F415-N432 VanDerWaalsContact CE1-CG 3.48Å; F415-N432 WeakPolarHBondContact CE1-ND2 3.37Å; F415-N432 HydrophobicContact CE2-CB 4.12Å; F415-N432 HydrophobicContact CZ-CB 3.81Å; F415-N432 PolarHBondContact N-OD1 2.97Å; F415-N432 PolarHBondContact O-N 2.82Å; F415-N432 PolarHBondContact O-OD1 2.8Å; R417-N432 HydrophobicContact CG-CB 4.14Å; R417-N432 VanDerWaalsContact NE-CB 3.26Å; N432-G434 VanDerWaalsContact C-N 3.29Å; N432-G484 PolarHBondContact O-N 3.48Å; N432-G484 VanDerWaalsContact O-N 3.1Å
433L82.1Confident82.5Confident46 Ų4629.6 Ų29.624%0.24116%0.163CC..THydrogen-bonded Turntrans-85.1-0.5176.4-58.7-177.9000113.1D414 T431 L435D414-L433 HydrophobicContact CB-CD1 3.74Å; D414-L433 HydrophobicContact CB-CG 4.37Å; T431-L433 PolarHBondContact O-N 3.07Å; T431-L433 PolarHBondContact OG1-N 3.4Å; L433-L435 HydrophobicContact CB-CG 4.37Å
434G80.4Confident81.7Confident10 Ų1028.2 Ų28.210%0.10315%0.152CC..SBendtrans7922.6-17900000114.7T431 N432 L482T431-G434 PolarHBondContact O-N 3.37Å; N432-G434 VanDerWaalsContact C-N 3.29Å; G434-L482 VanDerWaalsContact CA-C 3.45Å; G434-L482 WeakPolarHBondContact CA-O 3.47Å
435L84.1Confident81.3Confident47 Ų4730.4 Ų30.425%0.24617%0.165CC..  trans-87140.9173-54.7-179.1000109.9L430 T431 L433 Y437L430-L435 CarbonylContact C-O 3.55Å; L430-L435 WeakPolarHBondContact CA-O 3.29Å; T431-L435 HydrophobicContact CG2-CB 4.37Å; T431-L435 PolarHBondContact N-O 2.99Å; T431-L435 PolarHBondContact OG1-N 2.86Å; L433-L435 HydrophobicContact CB-CG 4.37Å; L435-Y437 HydrophobicContact CB-CD2 4.38Å; L435-Y437 HydrophobicContact CB-CE2 3.63Å; L435-Y437 HydrophobicContact CD1-CE2 4.32Å
436I87Confident81Confident7 Ų734.7 Ų34.74%0.03618%0.184CC..EExtended strand (participates in β ladder)trans-109.9131.4177.9-49.9178.6000108.9L430 V450 L482 M518L430-I436 HydrophobicContact CD2-CD1 4.3Å; L430-I436 HydrophobicContact CD2-CG1 3.93Å; L430-I436 HydrophobicContact CG-CG1 4.08Å; I436-V450 HydrophobicContact CB-CB 4.15Å; I436-V450 HydrophobicContact CG2-CB 3.94Å; I436-V450 HydrophobicContact CG2-CG2 4.22Å; I436-V450 PolarHBondContact O-N 2.83Å; I436-L482 HydrophobicContact CD1-CD1 3.94Å; I436-L482 HydrophobicContact CG1-CD1 4.2Å; I436-M518 HydrophobicContact CD1-CE 4.38Å; I436-M518 HydrophobicContact CD1-SD 4.2Å; I436-M518 HydrophobicContact CG2-SD 3.73Å
437Y88.1Confident80.5Confident19 Ų1935.8 Ų35.88%0.07519%0.193CC..EExtended strand (participates in β ladder)trans-125.8155.7176.8-67.6-84.4000111H379 F428 Y429 T431 L435 V447 R448 K449H379-Y437 AromaticContact CD2-CE1 3.78Å; H379-Y437 AromaticContact CD2-CE2 3.88Å; H379-Y437 AromaticContact CD2-CZ 3.32Å; H379-Y437 PolarHBondContact CD2-OH 2.83Å; H379-Y437 AromaticContact NE2-CD1 3.79Å; H379-Y437 AromaticContact NE2-CE1 3.11Å; H379-Y437 WeakPolarHBondContact NE2-CE1 3.45Å; H379-Y437 AromaticContact NE2-CE2 3.95Å; H379-Y437 AromaticContact NE2-CZ 3.2Å; H379-Y437 PolarHBondContact NE2-OH 2.87Å; F428-Y437 CarbonylContact C-O 3.58Å; F428-Y437 VanDerWaalsContact CA-O 3.29Å; F428-Y437 WeakPolarHBondContact CA-O 3.48Å; Y429-Y437 HydrophobicContact CD2-CD2 4.2Å; Y429-Y437 HydrophobicContact CE1-CG 4.31Å; Y429-Y437 AromaticContact CE2-CD2 3.53Å; Y429-Y437 HydrophobicContact CE2-CD2 3.53Å; Y429-Y437 HydrophobicContact CE2-CE2 4.48Å; Y429-Y437 AromaticContact CE2-CG 3.77Å; Y429-Y437 HydrophobicContact CE2-CG 3.77Å; Y429-Y437 AromaticContact CZ-CD2 3.91Å; Y429-Y437 AromaticContact CZ-CG 3.64Å; Y429-Y437 PolarHBondContact N-O 2.84Å; Y429-Y437 PolarHBondContact O-N 2.93Å; Y429-Y437 WeakPolarHBondContact OH-CB 3.38Å; T431-Y437 HydrophobicContact CG2-CD2 3.84Å; T431-Y437 HydrophobicContact CG2-CE2 3.69Å; L435-Y437 HydrophobicContact CB-CD2 4.38Å; L435-Y437 HydrophobicContact CB-CE2 3.63Å; L435-Y437 HydrophobicContact CD1-CE2 4.32Å; Y437-V447 HydrophobicContact CD1-CG1 3.83Å; Y437-V447 HydrophobicContact CG-CG1 4.32Å; Y437-R448 CarbonylContact C-O 3.49Å; Y437-R448 VanDerWaalsContact CA-O 3.27Å; Y437-R448 WeakPolarHBondContact CA-O 3.47Å; Y437-K449 HydrophobicContact CD1-CB 4.1Å; Y437-K449 HydrophobicContact CE1-CB 3.86Å; Y437-K449 HydrophobicContact CE1-CG 4.2Å
438T88Confident80.1Confident4 Ų440.6 Ų40.63%0.02521%0.211CC..EExtended strand (participates in β ladder)trans-135.9150.4175.7-167.10000112.1R426 L427 F428 V447 R448 V450 F517R426-T438 WeakPolarHBondContact CD-OG1 3.26Å; R426-T438 WeakPolarHBondContact CG-OG1 3.48Å; L427-T438 CarbonylContact O-C 3.56Å; L427-T438 WeakPolarHBondContact O-CA 3.17Å; L427-T438 PolarHBondContact O-OG1 3.26Å; F428-T438 WeakPolarHBondContact CE1-OG1 3.49Å; T438-V447 WeakPolarHBondContact O-CA 3.44Å; T438-R448 HydrophobicContact CG2-CB 3.95Å; T438-R448 PolarHBondContact N-O 3.39Å; T438-R448 PolarHBondContact O-N 3.22Å; T438-V450 HydrophobicContact CG2-CG2 3.57Å; T438-F517 HydrophobicContact CG2-CD2 3.95Å; T438-F517 HydrophobicContact CG2-CE2 4.12Å; T438-F517 HydrophobicContact CG2-CG 4.43Å
439Y83.7Confident79.7Confident14 Ų1444.5 Ų44.56%0.05523%0.228CC..EExtended strand (participates in β ladder)trans-145.9135-178.5176-98.3000110I374 L376 L427 Y441 P445 V447 I813I374-Y439 WeakPolarHBondContact CD1-OH 3.27Å; L376-Y439 HydrophobicContact CD1-CD2 4.39Å; L376-Y439 HydrophobicContact CD1-CG 4.08Å; L376-Y439 HydrophobicContact CD2-CD2 4.05Å; L376-Y439 HydrophobicContact CD2-CE2 4.13Å; L376-Y439 HydrophobicContact CD2-CG 4.47Å; L427-Y439 PolarHBondContact N-O 3.35Å; L427-Y439 PolarHBondContact O-N 3.24Å; Y439-Y441 HydrophobicContact CE1-CD2 4.42Å; Y439-P445 HydrophobicContact CE2-CB 4.06Å; Y439-V447 HydrophobicContact CD2-CG2 3.98Å; Y439-I813 HydrophobicContact CD1-CD1 3.39Å; Y439-I813 HydrophobicContact CE1-CD1 3.46Å; Y439-I813 VanDerWaalsContact CE1-CD1 3.46Å; Y439-I813 HydrophobicContact CG-CD1 4.34Å
440F79.5Confident79.2Confident20 Ų2044.3 Ų44.39%0.08823%0.228CC..EExtended strand (participates in β ladder)trans-124.3104.2178.5-163.2-109.1000111.5C424 R426 L442 T443 D444C424-F440 HydrophobicContact CB-CE2 4.29Å; C424-F440 WeakPolarHBondContact O-CE2 3.32Å; C424-F440 WeakPolarHBondContact O-CZ 3.38Å; R426-F440 VanDerWaalsContact CA-CD2 3.49Å; R426-F440 HydrophobicContact CB-CD2 3.51Å; R426-F440 HydrophobicContact CB-CE2 4.03Å; R426-F440 HydrophobicContact CG-CB 4.32Å; R426-F440 HydrophobicContact CG-CD2 3.96Å; F440-L442 VanDerWaalsContact C-N 3.3Å; F440-L442 HydrophobicContact CD1-CB 4.4Å; F440-L442 HydrophobicContact CE1-CB 3.84Å; F440-L442 HydrophobicContact CZ-CB 4.35Å; F440-L442 PolarHBondContact O-N 3.09Å; F440-T443 HydrophobicContact CD1-CG2 4.36Å; F440-T443 VanDerWaalsContact CD1-N 3.3Å; F440-T443 WeakPolarHBondContact CD1-OG1 3.26Å; F440-T443 HydrophobicContact CE1-CG2 3.85Å; F440-T443 WeakPolarHBondContact CE1-OG1 3.39Å; F440-D444 HydrophobicContact CB-CB 4.31Å; F440-D444 PolarHBondContact N-O 3.13Å; F440-D444 CarbonylContact O-C 3.59Å; F440-D444 PolarHBondContact O-N 3.22Å
441Y68.8Low78.8Confident76 Ų7651.9 Ų51.930%0.29826%0.258SS..THydrogen-bonded Turntrans-58.1-37.3-173.5176.7-100.5000113.8E372 I374 Y439 S815E372-Y441 PolarHBondContact OE2-OH 2.82Å; I374-Y441 HydrophobicContact CD1-CD2 3.7Å; I374-Y441 HydrophobicContact CD1-CE2 3.61Å; Y439-Y441 HydrophobicContact CE1-CD2 4.42Å; Y441-S815 PolarHBondContact OH-OG 3.44Å
442L65.6Low78.2Confident104 Ų10453.4 Ų53.455%0.54527%0.267SS..THydrogen-bonded Turntrans-86-35.2-168.3-67.1171.5000115.1F440F440-L442 VanDerWaalsContact C-N 3.3Å; F440-L442 HydrophobicContact CD1-CB 4.4Å; F440-L442 HydrophobicContact CE1-CB 3.84Å; F440-L442 HydrophobicContact CZ-CB 4.35Å; F440-L442 PolarHBondContact O-N 3.09Å
443T64.8Low78.1Confident112 Ų11258 Ų5869%0.68729%0.287SS*.THydrogen-bonded Turntrans-129.8-14.6-172.767.80000115.2F440F440-T443 HydrophobicContact CD1-CG2 4.36Å; F440-T443 VanDerWaalsContact CD1-N 3.3Å; F440-T443 WeakPolarHBondContact CD1-OG1 3.26Å; F440-T443 HydrophobicContact CE1-CG2 3.85Å; F440-T443 WeakPolarHBondContact CE1-OG1 3.39Å
444D66Low77.8Confident26 Ų2659.9 Ų59.914%0.13930%0.297CS..EExtended strand (participates in β ladder)trans-151.679.1-177.4-176.534.1000110.6F440 I446 R448F440-D444 HydrophobicContact CB-CB 4.31Å; F440-D444 PolarHBondContact N-O 3.13Å; F440-D444 CarbonylContact O-C 3.59Å; F440-D444 PolarHBondContact O-N 3.22Å; D444-I446 PolarHBondContact O-N 3.26Å; D444-R448 IonicContact OD1-CZ 3.88Å; D444-R448 IonicContact OD1-NE 2.76Å; D444-R448 IonicContact OD1-NH2 2.74Å; D444-R448 PolarHBondContact OD1-NH2 3.17Å; D444-R448 VanDerWaalsContact OD1-NH2 3.16Å; D444-R448 IonicContact OD2-CZ 2.97Å; D444-R448 IonicContact OD2-NE 3.62Å; D444-R448 PolarHBondContact OD2-NE 3.03Å; D444-R448 IonicContact OD2-NH1 3.95Å; D444-R448 IonicContact OD2-NH2 3.39Å; D444-R448 PolarHBondContact OD2-NH2 2.86Å
445P69.8Low77.2Confident89 Ų8962.9 Ų62.958%0.57831%0.308SS*.EExtended strand (participates in β ladder)trans-74.532-177.333.5-36.8000112.5Y439Y439-P445 HydrophobicContact CE2-CB 4.06Å
446I74.1Confident76Confident101 Ų10163.4 Ų63.452%0.51831%0.306SS..EExtended strand (participates in β ladder)trans-104124.7176.6-57.7177.1000108.1D444 R448D444-I446 PolarHBondContact O-N 3.26Å; I446-R448 HydrophobicContact CG2-CG 4.32Å; I446-R448 PolarHBondContact O-N 3.2Å
447V77.3Confident74.5Confident44 Ų4470.9 Ų70.927%0.26735%0.345SS..EExtended strand (participates in β ladder)trans-70.7116.1170.6178.70000108.9L376 Y429 Y437 T438 Y439L376-V447 HydrophobicContact CD1-CG2 4.03Å; L376-V447 HydrophobicContact CD2-CG2 3.65Å; L376-V447 HydrophobicContact CG-CG2 4.3Å; Y429-V447 HydrophobicContact CE1-CG1 4.33Å; Y429-V447 VanDerWaalsContact OH-CG1 3.26Å; Y429-V447 WeakPolarHBondContact OH-CG1 3.48Å; Y437-V447 HydrophobicContact CD1-CG1 3.83Å; Y437-V447 HydrophobicContact CG-CG1 4.32Å; T438-V447 WeakPolarHBondContact O-CA 3.44Å; Y439-V447 HydrophobicContact CD2-CG2 3.98Å
448R80.6Confident73.1Confident102 Ų10270.7 Ų70.739%0.38534%0.344SS..EExtended strand (participates in β ladder)trans-108.3137.4178.1-59.9-176.3-173-157.1-0.6110.5Y437 T438 D444 I446Y437-R448 CarbonylContact C-O 3.49Å; Y437-R448 VanDerWaalsContact CA-O 3.27Å; Y437-R448 WeakPolarHBondContact CA-O 3.47Å; T438-R448 HydrophobicContact CG2-CB 3.95Å; T438-R448 PolarHBondContact N-O 3.39Å; T438-R448 PolarHBondContact O-N 3.22Å; D444-R448 IonicContact OD1-CZ 3.88Å; D444-R448 IonicContact OD1-NE 2.76Å; D444-R448 IonicContact OD1-NH2 2.74Å; D444-R448 PolarHBondContact OD1-NH2 3.17Å; D444-R448 VanDerWaalsContact OD1-NH2 3.16Å; D444-R448 IonicContact OD2-CZ 2.97Å; D444-R448 IonicContact OD2-NE 3.62Å; D444-R448 PolarHBondContact OD2-NE 3.03Å; D444-R448 IonicContact OD2-NH1 3.95Å; D444-R448 IonicContact OD2-NH2 3.39Å; D444-R448 PolarHBondContact OD2-NH2 2.86Å; I446-R448 HydrophobicContact CG2-CG 4.32Å; I446-R448 PolarHBondContact O-N 3.2Å
449K82.8Confident71.4Confident86 Ų8679.8 Ų79.837%0.37439%0.386SS..EExtended strand (participates in β ladder)trans-76.5129.2167.5-174.5174.9173.2-176.40108.9Y437 Y451Y437-K449 HydrophobicContact CD1-CB 4.1Å; Y437-K449 HydrophobicContact CE1-CB 3.86Å; Y437-K449 HydrophobicContact CE1-CG 4.2Å; K449-Y451 HydrophobicContact CD-CE2 4.38Å; K449-Y451 HydrophobicContact CG-CE2 4.33Å; K449-Y451 PolarHBondContact NZ-OH 2.73Å
450V80.4Confident70Confident6 Ų683.9 Ų83.94%0.03641%0.409CS..  trans-93.7127.8-176.4-1780000109.7F428 I436 T438 P516 F517 M518F428-V450 HydrophobicContact CD1-CG2 4.41Å; F428-V450 HydrophobicContact CE1-CG2 4.37Å; I436-V450 HydrophobicContact CB-CB 4.15Å; I436-V450 HydrophobicContact CG2-CB 3.94Å; I436-V450 HydrophobicContact CG2-CG2 4.22Å; I436-V450 PolarHBondContact O-N 2.83Å; T438-V450 HydrophobicContact CG2-CG2 3.57Å; V450-P516 VanDerWaalsContact CG1-O 3.3Å; V450-P516 WeakPolarHBondContact CG1-O 3.26Å; V450-F517 HydrophobicContact CG1-CB 4.19Å; V450-F517 HydrophobicContact CG2-CB 4.49Å; V450-F517 HydrophobicContact CG2-CD2 4.21Å; V450-M518 HydrophobicContact CG1-CB 4.1Å; V450-M518 HydrophobicContact CG1-CG 4.02Å; V450-M518 HydrophobicContact CG1-SD 4.04Å
451Y81.6Confident68.6Low161 Ų16183.4 Ų83.463%0.63141%0.409SS*.  trans-110103.2170-65.4-80000108K449 P516K449-Y451 HydrophobicContact CD-CE2 4.38Å; K449-Y451 HydrophobicContact CG-CE2 4.33Å; K449-Y451 PolarHBondContact NZ-OH 2.73Å; Y451-P516 WeakPolarHBondContact O-CB 3.48Å
452P75.1Confident67.4Low35 Ų3586.9 Ų86.923%0.22743%0.433CS..PPolyproline II helixtrans-69.6146.1-173.126.8-32.3000111.5M518 W520P452-M518 VanDerWaalsContact CA-O 3.32Å; P452-M518 WeakPolarHBondContact CA-O 3.2Å; P452-M518 HydrophobicContact CB-CB 4.12Å; P452-W520 VanDerWaalsContact CB-CD1 3.46Å; P452-W520 HydrophobicContact CB-CD2 4.33Å; P452-W520 HydrophobicContact CB-CG 4.15Å; P452-W520 HydrophobicContact CB-CZ2 4.4Å; P452-W520 HydrophobicContact CG-CD2 4.17Å; P452-W520 HydrophobicContact CG-CH2 4.44Å; P452-W520 HydrophobicContact CG-CZ2 3.53Å; P452-W520 VanDerWaalsContact CG-NE1 3.3Å
453K79.6Confident66.6Low108 Ų10886.1 Ų86.147%0.4744%0.442SS..EExtended strand (participates in β ladder)trans-79.4131.2168.8-179.5-175.4174.2-146.10109.2P516 M518 E519 W520K453-P516 HydrophobicContact CB-CB 4.42Å; K453-P516 HydrophobicContact CB-CG 3.76Å; K453-M518 PolarHBondContact N-O 3.19Å; K453-E519 HydrophobicContact CB-CB 4.49Å; K453-E519 HydrophobicContact CB-CG 4.33Å; K453-E519 HydrophobicContact CD-CG 4.35Å; K453-E519 HydrophobicContact CG-CG 4.42Å; K453-E519 IonicContact NZ-OE1 3.88Å; K453-E519 PolarHBondContact NZ-OE1 3.06Å; K453-E519 CarbonylContact O-C 3.32Å; K453-E519 VanDerWaalsContact O-CA 3.28Å; K453-E519 WeakPolarHBondContact O-CA 3.43Å; K453-W520 PolarHBondContact O-N 2.9Å
454I76.6Confident66Low87 Ų8781.9 Ų81.945%0.44642%0.415SS..EExtended strand (participates in β ladder)trans-96.3119178.3-59.8173.8000108.3R456 F458 L465 W520I454-R456 VanDerWaalsContact CG2-O 3.22Å; I454-R456 WeakPolarHBondContact CG2-O 3.5Å; I454-F458 HydrophobicContact CG2-CE2 3.77Å; I454-F458 HydrophobicContact CG2-CZ 4.28Å; I454-L465 HydrophobicContact CD1-CD1 4.3Å; I454-W520 HydrophobicContact CG1-CE3 4.21Å
455H66.8Low65.3Low72 Ų7282.5 Ų82.533%0.33342%0.418SS..  trans-82.7-40-176.5-161.984.6000112.8E519 W520 T561H455-E519 HydrophobicContact CB-CG 4.25Å; H455-E519 IonicContact CE1-OE1 3.93Å; H455-E519 IonicContact CG-OE1 3.93Å; H455-E519 IonicContact ND1-OE1 3.65Å; H455-E519 PolarHBondContact ND1-OE1 2.76Å; H455-W520 VanDerWaalsContact CB-O 3.23Å; H455-W520 WeakPolarHBondContact CB-O 3.46Å; H455-W520 PolarHBondContact N-O 3Å; H455-T561 VanDerWaalsContact NE2-CG2 3.32Å; H455-T561 WeakPolarHBondContact NE2-CG2 3.12Å
456R59.6Low64.1Low59 Ų5987.2 Ų87.222%0.22343%0.43CS..SBendtrans-121.8139.3179.5-75.6-177.1172.3158.24.3111.7I454 F458 V558 E559I454-R456 VanDerWaalsContact CG2-O 3.22Å; I454-R456 WeakPolarHBondContact CG2-O 3.5Å; R456-F458 WeakPolarHBondContact O-CD2 3.24Å; R456-F458 WeakPolarHBondContact O-CE2 3.44Å; R456-F458 PolarHBondContact O-N 3.41Å; R456-F458 VanDerWaalsContact O-N 3.13Å; R456-V558 PolarHBondContact NH2-O 2.81Å; R456-E559 IonicContact CZ-OE2 2.75Å; R456-E559 IonicContact NE-OE2 3.97Å; R456-E559 IonicContact NH2-OE2 3.16Å; R456-E559 PolarHBondContact NH2-OE2 2.9Å
457I56Low62.5Low164 Ų16489.3 Ų89.384%0.84144%0.435SS*.  trans-71.4103164.3-58.5171.9000105.6E459I457-E459 PolarHBondContact O-N 2.92Å
458F59Low60.5Low15 Ų1590.7 Ų90.77%0.06646%0.459CS..  trans-68.4129.6-179.4-43-82.6000109.1I454 R456 D460 A461 L465 L507 W520 I523I454-F458 HydrophobicContact CG2-CE2 3.77Å; I454-F458 HydrophobicContact CG2-CZ 4.28Å; R456-F458 WeakPolarHBondContact O-CD2 3.24Å; R456-F458 WeakPolarHBondContact O-CE2 3.44Å; R456-F458 PolarHBondContact O-N 3.41Å; R456-F458 VanDerWaalsContact O-N 3.13Å; F458-D460 PolarHBondContact O-N 2.9Å; F458-A461 HydrophobicContact CB-CB 3.57Å; F458-A461 HydrophobicContact CD2-CB 3.82Å; F458-A461 HydrophobicContact CG-CB 4.18Å; F458-A461 VanDerWaalsContact O-CB 3.24Å; F458-A461 WeakPolarHBondContact O-CB 3.43Å; F458-A461 PolarHBondContact O-N 3.08Å; F458-L465 HydrophobicContact CD2-CD1 3.97Å; F458-L465 HydrophobicContact CE2-CD1 4.2Å; F458-L507 HydrophobicContact CZ-CD1 4.49Å; F458-W520 HydrophobicContact CE2-CE3 4.32Å; F458-W520 HydrophobicContact CZ-CB 4.2Å; F458-I523 HydrophobicContact CB-CG2 3.66Å; F458-I523 HydrophobicContact CD1-CB 4.01Å; F458-I523 HydrophobicContact CD1-CG2 3.42Å; F458-I523 VanDerWaalsContact CD1-CG2 3.42Å; F458-I523 HydrophobicContact CD2-CG2 4.33Å; F458-I523 HydrophobicContact CE1-CB 4.22Å; F458-I523 HydrophobicContact CE1-CG2 4.13Å; F458-I523 HydrophobicContact CG-CB 4.41Å; F458-I523 HydrophobicContact CG-CG2 3.54Å
459E52.2Low58.2Low194 Ų19494.5 Ų94.591%0.90748%0.481SS*.THydrogen-bonded Turntrans-61.7-29.1179.3-69.3-177.9156.600111.6I457I457-E459 PolarHBondContact O-N 2.92Å
460D53.6Low55.8Low101 Ų10198.7 Ų98.754%0.5450%0.499SS..THydrogen-bonded Turntrans-84.3-7.5171-81.7-24.6000114.3F458 N462 A463F458-D460 PolarHBondContact O-N 2.9Å; D460-N462 VanDerWaalsContact C-N 3.25Å; D460-N462 PolarHBondContact O-N 3.39Å; D460-A463 PolarHBondContact O-N 2.75Å; D460-A463 VanDerWaalsContact O-N 3.17Å
461A49.8Very low53.5Low9 Ų9103.9 Ų103.97%0.07453%0.533CS..Hα-helixtrans-67.2-21-176.500000114.1F458 A463 V464 L465F458-A461 HydrophobicContact CB-CB 3.57Å; F458-A461 HydrophobicContact CD2-CB 3.82Å; F458-A461 HydrophobicContact CG-CB 4.18Å; F458-A461 VanDerWaalsContact O-CB 3.24Å; F458-A461 WeakPolarHBondContact O-CB 3.43Å; F458-A461 PolarHBondContact O-N 3.08Å; A461-A463 PolarHBondContact O-N 3.02Å; A461-A463 VanDerWaalsContact O-N 3.16Å; A461-V464 PolarHBondContact O-N 3.29Å; A461-L465 HydrophobicContact CB-CB 4.2Å; A461-L465 HydrophobicContact CB-CD1 3.53Å; A461-L465 HydrophobicContact CB-CG 3.78Å; A461-L465 WeakPolarHBondContact O-CA 3.3Å; A461-L465 WeakPolarHBondContact O-CB 3.42Å; A461-L465 PolarHBondContact O-N 3.04Å
462N44.6Very low51.2Low149 Ų149101 Ų10180%0.79754%0.543SS*.Hα-helixtrans-64.3-20.5176.1-78.2-26.5000112.7D460D460-N462 VanDerWaalsContact C-N 3.25Å; D460-N462 PolarHBondContact O-N 3.39Å
463A48Very low49.2Very low89 Ų89108.2 Ų108.274%0.73657%0.571SS**Hα-helixtrans-88.5-24.9170.900000113.4D460 A461D460-A463 PolarHBondContact O-N 2.75Å; D460-A463 VanDerWaalsContact O-N 3.17Å; A461-A463 PolarHBondContact O-N 3.02Å; A461-A463 VanDerWaalsContact O-N 3.16Å
464V52.3Low47Very low22 Ų22108.6 Ų108.613%0.13358%0.584CS.*Hα-helixtrans-106.4-27.3-166.7-1780000112.9A461 F481 Y505 I523A461-V464 PolarHBondContact O-N 3.29Å; V464-F481 HydrophobicContact CG1-CB 3.54Å; V464-F481 HydrophobicContact CG1-CD2 3.9Å; V464-F481 HydrophobicContact CG1-CG 3.86Å; V464-Y505 HydrophobicContact CG2-CE1 4.04Å; V464-I523 HydrophobicContact CG1-CD1 4.11Å
465L51.7Low44.9Very low39 Ų39112.9 Ų112.920%0.20461%0.608CS.*  trans-117.166.2-173.5-56.9-176.9000111.4I454 F458 A461 F467 W520I454-L465 HydrophobicContact CD1-CD1 4.3Å; F458-L465 HydrophobicContact CD2-CD1 3.97Å; F458-L465 HydrophobicContact CE2-CD1 4.2Å; A461-L465 HydrophobicContact CB-CB 4.2Å; A461-L465 HydrophobicContact CB-CD1 3.53Å; A461-L465 HydrophobicContact CB-CG 3.78Å; A461-L465 WeakPolarHBondContact O-CA 3.3Å; A461-L465 WeakPolarHBondContact O-CB 3.42Å; A461-L465 PolarHBondContact O-N 3.04Å; L465-F467 HydrophobicContact CD2-CD2 4.07Å; L465-F467 HydrophobicContact CD2-CE2 4.34Å; L465-F467 PolarHBondContact O-N 3.24Å; L465-W520 HydrophobicContact CD2-CH2 4.43Å; L465-W520 HydrophobicContact CD2-CZ3 3.76Å
466K43.6Very low43.2Very low189 Ų189112.6 Ų112.682%0.82263%0.625SS**  trans-75.168.6154.1-80.4-172.1177.3179.50109.3
467F42.5Very low41.9Very low144 Ų144115.3 Ų115.363%0.63265%0.653SS**  trans-104.2115.7167.1-89.6-84.2000108L465L465-F467 HydrophobicContact CD2-CD2 4.07Å; L465-F467 HydrophobicContact CD2-CE2 4.34Å; L465-F467 PolarHBondContact O-N 3.24Å
468G33.4Very low40.8Very low73 Ų73111.3 Ų111.375%0.75364%0.644SS**SBendtrans102.666.9168.600000115.2
469E32.7Very low40.1Very low183 Ų183115.9 Ų115.986%0.85567%0.673SS**  trans-178115.8140.1-103.4174.9-161.800106.3P471E469-P471 WeakPolarHBondContact O-CD 3.42Å
470F32.1Very low40.5Very low173 Ų173108.6 Ų108.676%0.75964%0.644SS**  trans-62.1111.8175.2-90.1-95.6000109.4I408 A472I408-F470 HydrophobicContact CD1-CE1 4.09Å; I408-F470 HydrophobicContact CD1-CZ 3.65Å; I408-F470 HydrophobicContact CG1-CE1 4.32Å; I408-F470 HydrophobicContact CG1-CZ 4.2Å; F470-A472 PolarHBondContact O-N 3.04Å
471P33.9Very low41.4Very low116 Ų116104.4 Ų104.475%0.75362%0.621SS**  trans-88.1110167.16.715.6000106.8E469 K473E469-P471 WeakPolarHBondContact O-CD 3.42Å; P471-K473 PolarHBondContact O-N 2.8Å
472A31.9Very low42.8Very low101 Ų101104.3 Ų104.384%0.83562%0.619SS**SBendtrans-62.983.8166.200000109.9F470F470-A472 PolarHBondContact O-N 3.04Å
473K34.5Very low44.1Very low185 Ų18598 Ų9880%0.80459%0.588SS**  trans-171.5116.3156-105.3165.4-170.9-176.70108.9P471 N475P471-K473 PolarHBondContact O-N 2.8Å; K473-N475 PolarHBondContact O-N 2.91Å
474P32.3Very low45.4Very low116 Ų11695 Ų9575%0.75357%0.567SS**SBendtrans-75.5111.2172.931.5-26.7000106.5
475N32.3Very low46.6Very low177 Ų177101.5 Ų101.595%0.94759%0.59SS**  trans17528.2156-86-9.5000113.7K473K473-N475 PolarHBondContact O-N 2.91Å
476G30.9Very low48.1Very low67 Ų67100 Ų10069%0.69158%0.582SS**  trans-138.6109.9173.400000111.2A478G476-A478 PolarHBondContact O-N 2.98Å
477S32.3Very low50.3Low116 Ų11692.2 Ų92.281%0.81155%0.55SS**  trans-68.791172.5172.60000109.3V479S477-V479 PolarHBondContact O-N 2.98Å
478A33.3Very low52.6Low79 Ų7986.3 Ų86.365%0.65353%0.527SS*.  trans-88.395.8163.500000107.3G476 S480G476-A478 PolarHBondContact O-N 2.98Å; A478-S480 PolarHBondContact O-N 2.8Å
479V44.9Very low55.4Low112 Ų11284.2 Ų84.268%0.67950%0.501SS*.  trans-67.8118.9174.8-179.50000107.8S477S477-V479 PolarHBondContact O-N 2.98Å
480S60.7Low58.2Low41 Ų4176.8 Ų76.829%0.28747%0.468SS..  trans-66145.3173.263.30000109.6A478 L482 G483A478-S480 PolarHBondContact O-N 2.8Å; S480-L482 PolarHBondContact O-N 3.34Å; S480-L482 VanDerWaalsContact O-N 3.11Å; S480-G483 WeakPolarHBondContact O-CA 3.34Å; S480-G483 PolarHBondContact O-N 3.14Å; S480-G483 WeakPolarHBondContact OG-CA 3.48Å; S480-G483 PolarHBondContact OG-N 3.07Å
481F72.7Confident61Low13 Ų1368.7 Ų68.76%0.05743%0.433CS..THydrogen-bonded Turntrans-48-39.5175.3170.5-107.3000113.4V464 Y505 L507 I523V464-F481 HydrophobicContact CG1-CB 3.54Å; V464-F481 HydrophobicContact CG1-CD2 3.9Å; V464-F481 HydrophobicContact CG1-CG 3.86Å; F481-Y505 HydrophobicContact CE2-CG 4.41Å; F481-L507 HydrophobicContact CD1-CD2 4.45Å; F481-L507 HydrophobicContact CE1-CB 3.61Å; F481-L507 HydrophobicContact CE1-CD2 3.73Å; F481-L507 HydrophobicContact CE1-CG 4.23Å; F481-L507 HydrophobicContact CZ-CB 3.64Å; F481-I523 HydrophobicContact CD2-CD1 4.36Å; F481-I523 HydrophobicContact CE2-CD1 4.17Å; F481-I523 HydrophobicContact CZ-CD1 4.43Å
482L77.6Confident63.3Low7 Ų768 Ų684%0.03743%0.428CS..THydrogen-bonded Turntrans-86.1-5.5179.6-62.4176.1000113.5L430 G434 I436 S480 L486 I499 W520L430-L482 HydrophobicContact CD2-CD2 4.01Å; G434-L482 VanDerWaalsContact CA-C 3.45Å; G434-L482 WeakPolarHBondContact CA-O 3.47Å; I436-L482 HydrophobicContact CD1-CD1 3.94Å; I436-L482 HydrophobicContact CG1-CD1 4.2Å; S480-L482 PolarHBondContact O-N 3.34Å; S480-L482 VanDerWaalsContact O-N 3.11Å; L482-L486 HydrophobicContact CB-CD1 4.25Å; L482-L486 HydrophobicContact CD2-CD1 4.22Å; L482-L486 WeakPolarHBondContact O-CD1 3.39Å; L482-I499 HydrophobicContact CD2-CG2 4.2Å; L482-W520 HydrophobicContact CD1-CH2 4.11Å; L482-W520 HydrophobicContact CD1-CZ2 3.83Å
483G71.7Confident65.9Low15 Ų1567.7 Ų67.716%0.15541%0.412CS..SBendtrans-79.5142.9176.500000111.3S480S480-G483 WeakPolarHBondContact O-CA 3.34Å; S480-G483 PolarHBondContact O-N 3.14Å; S480-G483 WeakPolarHBondContact OG-CA 3.48Å; S480-G483 PolarHBondContact OG-N 3.07Å
484G75.9Confident68.4Low28 Ų2860.2 Ų60.229%0.28938%0.379SS..SBendtrans90.6-146.5175.100000114.5R417 N432 L486R417-G484 VanDerWaalsContact CD-O 3.27Å; R417-G484 WeakPolarHBondContact CD-O 3.23Å; R417-G484 PolarHBondContact NH1-O 3.44Å; N432-G484 PolarHBondContact O-N 3.48Å; N432-G484 VanDerWaalsContact O-N 3.1Å; G484-L486 PolarHBondContact O-N 2.95Å
485Y76.9Confident71.1Confident158 Ų15855.9 Ų55.962%0.6235%0.352SS*.SBendtrans-85.1105.3-170.4-160.3-81.8000109.9T487Y485-T487 HydrophobicContact CE1-CG2 4.08Å
486L85.2Confident74Confident7 Ų749.7 Ų49.74%0.03732%0.315CS..EExtended strand (participates in β ladder)trans-114.4156.3179-66.7176.8000110.8V418 L430 L482 G484 I499 W500 N501V418-L486 HydrophobicContact CG2-CB 4.18Å; V418-L486 WeakPolarHBondContact CG2-O 3.3Å; L430-L486 HydrophobicContact CB-CD1 4.5Å; L430-L486 HydrophobicContact CD2-CD1 3.88Å; L482-L486 HydrophobicContact CB-CD1 4.25Å; L482-L486 HydrophobicContact CD2-CD1 4.22Å; L482-L486 WeakPolarHBondContact O-CD1 3.39Å; G484-L486 PolarHBondContact O-N 2.95Å; L486-I499 HydrophobicContact CD1-CG2 4.37Å; L486-I499 HydrophobicContact CD2-CG2 4.25Å; L486-W500 WeakPolarHBondContact CA-O 3.44Å; L486-N501 HydrophobicContact CD2-CB 3.89Å
487T88Confident77Confident25 Ų2546.5 Ų46.515%0.15328%0.282CS..EExtended strand (participates in β ladder)trans-141.9161.5168.148.90000109Y485 W500 Y755Y485-T487 HydrophobicContact CE1-CG2 4.08Å; T487-W500 PolarHBondContact N-O 2.77Å; T487-W500 VanDerWaalsContact N-O 3.13Å; T487-W500 PolarHBondContact O-N 2.75Å; T487-W500 WeakPolarHBondContact OG1-CZ2 3.47Å; T487-W500 PolarHBondContact OG1-NE1 3.07Å; T487-Y755 WeakPolarHBondContact CA-OH 2.98Å; T487-Y755 WeakPolarHBondContact CB-OH 2.92Å; T487-Y755 WeakPolarHBondContact CG2-OH 3.2Å
488C91.4Very high79.9Confident21 Ų2141 Ų4114%0.14224%0.244CC..EExtended strand (participates in β ladder)trans-142.4164.6-179.773.40000112.9V418 F420 V497 I498 I499V418-C488 HydrophobicContact CG1-CB 4Å; V418-C488 WeakPolarHBondContact CG1-SG 3.11Å; F420-C488 VanDerWaalsContact CD1-SG 3.53Å; C488-V497 HydrophobicContact CB-CG2 3.92Å; C488-I498 CarbonylContact C-O 3.57Å; C488-I498 WeakPolarHBondContact CA-O 3.42Å; C488-I498 WeakPolarHBondContact CB-O 3.28Å; C488-I499 HydrophobicContact CB-CG1 4.14Å
489C91.7Very high82.7Confident29 Ų2937.2 Ų37.220%0.19621%0.213CC..EExtended strand (participates in β ladder)trans-146.7122.7174.8-168.50000109.6V497 I498 W500 I533 W535C489-V497 WeakPolarHBondContact O-CA 3.49Å; C489-I498 PolarHBondContact N-O 3.03Å; C489-I498 PolarHBondContact O-N 3.41Å; C489-W500 HydrophobicContact CB-CH2 4.03Å; C489-W500 HydrophobicContact CB-CZ3 3.77Å; C489-I533 PolarHBondContact SG-O 2.77Å; C489-W535 PolarHBondContact O-NE1 2.71Å; C489-W535 VanDerWaalsContact SG-CD1 3.53Å
490T91.5Very high84.9Confident27 Ų2732.5 Ų32.517%0.16618%0.183CC..EExtended strand (participates in β ladder)trans-85.8146.5177.254.40000111F420 Y496 V497 W535F420-T490 HydrophobicContact CB-CG2 3.78Å; F420-T490 HydrophobicContact CD2-CG2 3.75Å; F420-T490 HydrophobicContact CG-CG2 3.96Å; T490-Y496 CarbonylContact C-O 3.57Å; T490-Y496 WeakPolarHBondContact CA-O 3.15Å; T490-V497 HydrophobicContact CG2-CB 4.3Å; T490-V497 HydrophobicContact CG2-CG2 4.05Å; T490-W535 VanDerWaalsContact O-CD1 3.24Å
491S90.4Very high86.1Confident3 Ų331.6 Ų31.62%0.02117%0.174CC..  trans-61.9160170.859.90000111.4D493 R494 S495 Y496S491-D493 VanDerWaalsContact C-N 3.26Å; S491-D493 VanDerWaalsContact CB-OD1 3.26Å; S491-D493 WeakPolarHBondContact CB-OD1 3.4Å; S491-D493 PolarHBondContact O-N 2.85Å; S491-D493 PolarHBondContact OG-OD1 2.89Å; S491-R494 WeakPolarHBondContact O-CA 3.25Å; S491-R494 PolarHBondContact O-N 2.87Å; S491-R494 PolarHBondContact OG-N 2.97Å; S491-S495 PolarHBondContact OG-N 3.12Å; S491-Y496 PolarHBondContact N-O 3.06Å; S491-Y496 PolarHBondContact OG-N 3.2Å; S491-Y496 PolarHBondContact OG-O 3.32Å
492P84.2Confident86.6Confident101 Ų10135.5 Ų35.566%0.65620%0.195SC*.THydrogen-bonded Turntrans-57-36.2-178.6-27.536.1000114.3R494 W535P492-R494 VanDerWaalsContact C-N 3.29Å; P492-W535 HydrophobicContact CG-CB 4.34Å
493D85.2Confident86.9Confident95 Ų9538.8 Ų38.851%0.50822%0.219SC..THydrogen-bonded Turntrans-83.8-1.217566.9-16.6000113.5S423 S491 S495S423-D493 WeakPolarHBondContact CB-O 3.28Å; S491-D493 VanDerWaalsContact C-N 3.26Å; S491-D493 VanDerWaalsContact CB-OD1 3.26Å; S491-D493 WeakPolarHBondContact CB-OD1 3.4Å; S491-D493 PolarHBondContact O-N 2.85Å; S491-D493 PolarHBondContact OG-OD1 2.89Å; D493-S495 PolarHBondContact O-N 3.39Å; D493-S495 VanDerWaalsContact O-N 3.17Å; D493-S495 PolarHBondContact OD1-N 2.91Å; D493-S495 PolarHBondContact OD1-OG 3.18Å; D493-S495 WeakPolarHBondContact OD2-CB 3.31Å; D493-S495 PolarHBondContact OD2-OG 3.47Å
494R88.1Confident87.5Confident28 Ų2838.1 Ų38.111%0.10621%0.211CC..SBendtrans54.627.3-177.1-59.3177.4170.1-88.35.4114.1F421 S423 S491 P492 D757 W758F421-R494 PolarHBondContact O-NH1 3.36Å; S423-R494 PolarHBondContact N-O 2.85Å; S423-R494 VanDerWaalsContact N-O 3.08Å; S491-R494 WeakPolarHBondContact O-CA 3.25Å; S491-R494 PolarHBondContact O-N 2.87Å; S491-R494 PolarHBondContact OG-N 2.97Å; P492-R494 VanDerWaalsContact C-N 3.29Å; R494-D757 IonicContact CZ-OD1 2.88Å; R494-D757 IonicContact CZ-OD2 3.44Å; R494-D757 IonicContact NH1-OD1 2.96Å; R494-D757 IonicContact NH1-OD2 3.3Å; R494-D757 PolarHBondContact NH1-OD2 2.99Å; R494-D757 IonicContact NH2-OD1 2.74Å; R494-D757 PolarHBondContact NH2-OD1 3.3Å; R494-D757 IonicContact NH2-OD2 3.65Å; R494-W758 PolarHBondContact NH2-O 3.3Å
495S89.3Confident88.1Confident25 Ų2539.4 Ų39.418%0.17521%0.208CC..SBendtrans-90.3-21.7175.869.20000113.3S491 D493 L511S491-S495 PolarHBondContact OG-N 3.12Å; D493-S495 PolarHBondContact O-N 3.39Å; D493-S495 VanDerWaalsContact O-N 3.17Å; D493-S495 PolarHBondContact OD1-N 2.91Å; D493-S495 PolarHBondContact OD1-OG 3.18Å; D493-S495 WeakPolarHBondContact OD2-CB 3.31Å; D493-S495 PolarHBondContact OD2-OG 3.47Å; S495-L511 WeakPolarHBondContact O-CB 3.22Å; S495-L511 PolarHBondContact O-N 2.94Å
496Y92.3Very high88.8Confident46 Ų4631.9 Ų31.918%0.1818%0.179CC..EExtended strand (participates in β ladder)trans-125.8154.7175.6-59.6-85.5000111.1T490 S491 V509 K510 L521 L562T490-Y496 CarbonylContact C-O 3.57Å; T490-Y496 WeakPolarHBondContact CA-O 3.15Å; S491-Y496 PolarHBondContact N-O 3.06Å; S491-Y496 PolarHBondContact OG-N 3.2Å; S491-Y496 PolarHBondContact OG-O 3.32Å; Y496-V509 CarbonylContact C-O 3.59Å; Y496-V509 VanDerWaalsContact CA-O 3.26Å; Y496-V509 WeakPolarHBondContact CA-O 3.48Å; Y496-K510 HydrophobicContact CD1-CB 3.92Å; Y496-K510 HydrophobicContact CD1-CG 4.17Å; Y496-K510 HydrophobicContact CE1-CB 3.76Å; Y496-K510 HydrophobicContact CE1-CD 4.07Å; Y496-K510 HydrophobicContact CE1-CG 3.69Å; Y496-L521 HydrophobicContact CD1-CD1 3.93Å; Y496-L521 HydrophobicContact CE1-CD1 3.71Å; Y496-L562 HydrophobicContact CD1-CD1 4.36Å; Y496-L562 HydrophobicContact CD2-CD1 4.25Å; Y496-L562 HydrophobicContact CE1-CD1 3.74Å; Y496-L562 HydrophobicContact CE2-CD1 3.61Å; Y496-L562 WeakPolarHBondContact OH-CD1 3.27Å
497V92.9Very high89.1Confident0 Ų031.6 Ų31.60%018%0.177CC..EExtended strand (participates in β ladder)trans-136.5137.9171.165.70000109.7F420 C488 C489 T490 I499 V509 L511 M518F420-V497 HydrophobicContact CD1-CG2 4.35Å; F420-V497 HydrophobicContact CD2-CG2 4.38Å; F420-V497 HydrophobicContact CE1-CG2 4.15Å; F420-V497 HydrophobicContact CE2-CB 4.21Å; F420-V497 HydrophobicContact CE2-CG1 4.05Å; F420-V497 HydrophobicContact CE2-CG2 4.2Å; F420-V497 HydrophobicContact CG-CG2 4.46Å; F420-V497 HydrophobicContact CZ-CB 4.33Å; F420-V497 HydrophobicContact CZ-CG1 3.88Å; F420-V497 HydrophobicContact CZ-CG2 4.08Å; C488-V497 HydrophobicContact CB-CG2 3.92Å; C489-V497 WeakPolarHBondContact O-CA 3.49Å; T490-V497 HydrophobicContact CG2-CB 4.3Å; T490-V497 HydrophobicContact CG2-CG2 4.05Å; V497-I499 HydrophobicContact CG1-CG1 4.48Å; V497-I499 HydrophobicContact CG2-CG1 4.32Å; V497-V509 HydrophobicContact CG1-CB 3.78Å; V497-V509 HydrophobicContact CG1-CG1 4.32Å; V497-V509 HydrophobicContact CG1-CG2 4.49Å; V497-V509 PolarHBondContact N-O 2.99Å; V497-V509 PolarHBondContact O-N 2.84Å; V497-L511 HydrophobicContact CB-CD1 4.44Å; V497-L511 HydrophobicContact CG1-CD1 4.48Å; V497-L511 HydrophobicContact CG1-CD2 3.81Å; V497-L511 HydrophobicContact CG1-CG 4.24Å; V497-M518 HydrophobicContact CG1-CE 4.18Å
498I93.2Very high89.3Confident0 Ų030.4 Ų30.40%017%0.17CC..EExtended strand (participates in β ladder)trans-102.6127.7169-64.5166.5000107.8C488 C489 W500 L506 L507 L508 I533 W535 I541 F564C488-I498 CarbonylContact C-O 3.57Å; C488-I498 WeakPolarHBondContact CA-O 3.42Å; C488-I498 WeakPolarHBondContact CB-O 3.28Å; C489-I498 PolarHBondContact N-O 3.03Å; C489-I498 PolarHBondContact O-N 3.41Å; I498-W500 HydrophobicContact CG2-CE3 4.17Å; I498-L506 HydrophobicContact CG2-CB 4.2Å; I498-L506 HydrophobicContact CG2-CD2 4.3Å; I498-L507 CarbonylContact C-O 3.59Å; I498-L507 VanDerWaalsContact CA-O 3.31Å; I498-L507 WeakPolarHBondContact CA-O 3.46Å; I498-L508 HydrophobicContact CD1-CD1 4.36Å; I498-L508 HydrophobicContact CG1-CD1 3.72Å; I498-I533 HydrophobicContact CD1-CG2 4.47Å; I498-I533 HydrophobicContact CG2-CD1 4.05Å; I498-W535 HydrophobicContact CD1-CH2 4.26Å; I498-W535 HydrophobicContact CD1-CZ2 3.58Å; I498-W535 HydrophobicContact CG1-CZ2 3.75Å; I498-I541 HydrophobicContact CD1-CD1 3.69Å; I498-I541 HydrophobicContact CD1-CG2 3.82Å; I498-F564 HydrophobicContact CD1-CE1 4.19Å; I498-F564 HydrophobicContact CD1-CZ 4.5Å; I498-F564 HydrophobicContact CG1-CZ 4.47Å
499I92Very high89.2Confident1 Ų129.4 Ų29.41%0.00516%0.163CC..EExtended strand (participates in β ladder)trans-114.5130.4176.6-58.5172.3000107.6L430 L482 L486 C488 V497 L507 V509 M518L430-I499 HydrophobicContact CD1-CD1 4.32Å; L430-I499 HydrophobicContact CD2-CD1 4.07Å; L482-I499 HydrophobicContact CD2-CG2 4.2Å; L486-I499 HydrophobicContact CD1-CG2 4.37Å; L486-I499 HydrophobicContact CD2-CG2 4.25Å; C488-I499 HydrophobicContact CB-CG1 4.14Å; V497-I499 HydrophobicContact CG1-CG1 4.48Å; V497-I499 HydrophobicContact CG2-CG1 4.32Å; I499-L507 PolarHBondContact N-O 2.85Å; I499-L507 PolarHBondContact O-N 3.03Å; I499-V509 HydrophobicContact CD1-CG2 4.41Å; I499-M518 HydrophobicContact CD1-CE 4.23Å
500W91.6Very high89.2Confident12 Ų1231.5 Ų31.55%0.04517%0.169CC..EExtended strand (participates in β ladder)trans-137.5159.6178.969.997.1000112.6L486 T487 C489 I498 Y505 L506 I530 I533L486-W500 WeakPolarHBondContact CA-O 3.44Å; T487-W500 PolarHBondContact N-O 2.77Å; T487-W500 VanDerWaalsContact N-O 3.13Å; T487-W500 PolarHBondContact O-N 2.75Å; T487-W500 WeakPolarHBondContact OG1-CZ2 3.47Å; T487-W500 PolarHBondContact OG1-NE1 3.07Å; C489-W500 HydrophobicContact CB-CH2 4.03Å; C489-W500 HydrophobicContact CB-CZ3 3.77Å; I498-W500 HydrophobicContact CG2-CE3 4.17Å; W500-Y505 WeakPolarHBondContact CA-O 3.41Å; W500-Y505 WeakPolarHBondContact CB-O 3.42Å; W500-L506 HydrophobicContact CB-CB 4.48Å; W500-L506 HydrophobicContact CB-CG 4.12Å; W500-I530 HydrophobicContact CB-CD1 4.38Å; W500-I530 HydrophobicContact CG-CD1 4.42Å; W500-I530 HydrophobicContact CG-CG2 4.42Å; W500-I533 HydrophobicContact CB-CD1 4.26Å; W500-I533 HydrophobicContact CD2-CD1 3.45Å; W500-I533 VanDerWaalsContact CD2-CD1 3.45Å; W500-I533 HydrophobicContact CD2-CG1 3.85Å; W500-I533 HydrophobicContact CE3-CB 4.26Å; W500-I533 HydrophobicContact CE3-CD1 3.46Å; W500-I533 VanDerWaalsContact CE3-CD1 3.46Å; W500-I533 HydrophobicContact CE3-CG1 3.93Å; W500-I533 HydrophobicContact CG-CD1 3.83Å; W500-I533 HydrophobicContact CH2-CB 3.81Å; W500-I533 HydrophobicContact CH2-CD1 4.44Å; W500-I533 HydrophobicContact CH2-CG1 3.99Å; W500-I533 HydrophobicContact CZ2-CB 4.19Å; W500-I533 HydrophobicContact CZ2-CD1 4.44Å; W500-I533 HydrophobicContact CZ2-CG1 3.91Å; W500-I533 HydrophobicContact CZ3-CB 3.81Å; W500-I533 HydrophobicContact CZ3-CD1 3.94Å; W500-I533 HydrophobicContact CZ3-CG1 3.96Å
501N87.4Confident89.2Confident22 Ų2231 Ų3112%0.11817%0.165CC..EExtended strand (participates in β ladder)trans-116.2171.6-179.769.821.3000112.2L486 S503 G504 Y505L486-N501 HydrophobicContact CD2-CB 3.89Å; N501-S503 PolarHBondContact O-N 2.99Å; N501-S503 WeakPolarHBondContact OD1-CA 3.39Å; N501-S503 WeakPolarHBondContact OD1-CB 3.27Å; N501-S503 PolarHBondContact OD1-N 2.74Å; N501-G504 PolarHBondContact O-N 2.94Å; N501-G504 PolarHBondContact OD1-N 3.48Å; N501-Y505 PolarHBondContact N-O 2.87Å; N501-Y505 PolarHBondContact OD1-N 2.97Å
502I83.1Confident89Confident96 Ų9633 Ų3349%0.49218%0.175SC..THydrogen-bonded Turntrans-64.4-19.6179.4-161.1167.9000113.7G504 K529I502-G504 VanDerWaalsContact C-N 3.27Å; I502-G504 PolarHBondContact O-N 2.8Å; I502-K529 HydrophobicContact CG1-CD 4.44Å; I502-K529 HydrophobicContact CG1-CG 4.47Å
503S82.7Confident88.9Confident76 Ų7634.4 Ų34.453%0.53117%0.173SC..THydrogen-bonded Turntrans-82.3-1.9-179.9-54.60000113.3N501N501-S503 PolarHBondContact O-N 2.99Å; N501-S503 WeakPolarHBondContact OD1-CA 3.39Å; N501-S503 WeakPolarHBondContact OD1-CB 3.27Å; N501-S503 PolarHBondContact OD1-N 2.74Å
504G85.5Confident88.7Confident0 Ų035.6 Ų35.60%018%0.179CC..SBendtrans919.5175.300000115.2N501 I502 L506 N525 I526 D528N501-G504 PolarHBondContact O-N 2.94Å; N501-G504 PolarHBondContact OD1-N 3.48Å; I502-G504 VanDerWaalsContact C-N 3.27Å; I502-G504 PolarHBondContact O-N 2.8Å; G504-L506 WeakPolarHBondContact O-CD1 3.42Å; G504-N525 PolarHBondContact O-OD1 2.71Å; G504-I526 PolarHBondContact O-N 3.08Å; G504-D528 WeakPolarHBondContact CA-O 3.3Å
505Y88.6Confident88.4Confident56 Ų5638.7 Ų38.722%0.2221%0.205CC..EExtended strand (participates in β ladder)trans-86.4136.4174.1-72.7-91.7000111.5V464 F481 W500 N501 I523 V524 N525V464-Y505 HydrophobicContact CG2-CE1 4.04Å; F481-Y505 HydrophobicContact CE2-CG 4.41Å; W500-Y505 WeakPolarHBondContact CA-O 3.41Å; W500-Y505 WeakPolarHBondContact CB-O 3.42Å; N501-Y505 PolarHBondContact N-O 2.87Å; N501-Y505 PolarHBondContact OD1-N 2.97Å; Y505-I523 HydrophobicContact CD1-CD1 4.27Å; Y505-V524 CarbonylContact C-O 3.58Å; Y505-V524 WeakPolarHBondContact CA-O 3.15Å; Y505-N525 HydrophobicContact CD1-CB 3.74Å; Y505-N525 HydrophobicContact CE1-CB 3.72Å; Y505-N525 HydrophobicContact CG-CB 4.26Å; Y505-N525 VanDerWaalsContact CZ-ND2 3.31Å
506L90.6Very high88Confident0 Ų039.3 Ų39.30%021%0.208CC..EExtended strand (participates in β ladder)trans-120.4132.3177.3-57.178.2000109.5I498 W500 G504 I523 V524 I526 I530 I533 I543 F564I498-L506 HydrophobicContact CG2-CB 4.2Å; I498-L506 HydrophobicContact CG2-CD2 4.3Å; W500-L506 HydrophobicContact CB-CB 4.48Å; W500-L506 HydrophobicContact CB-CG 4.12Å; G504-L506 WeakPolarHBondContact O-CD1 3.42Å; L506-I523 VanDerWaalsContact O-CA 3.25Å; L506-I523 WeakPolarHBondContact O-CA 3.27Å; L506-I523 VanDerWaalsContact O-CG1 3.27Å; L506-I523 WeakPolarHBondContact O-CG1 3Å; L506-V524 HydrophobicContact CB-CG1 4.2Å; L506-V524 HydrophobicContact CD1-CG1 4.04Å; L506-V524 PolarHBondContact N-O 2.63Å; L506-V524 PolarHBondContact O-N 3.07Å; L506-I526 HydrophobicContact CD1-CB 4.39Å; L506-I526 HydrophobicContact CD1-CD1 3.49Å; L506-I526 VanDerWaalsContact CD1-CD1 3.49Å; L506-I526 HydrophobicContact CD1-CG1 3.58Å; L506-I526 HydrophobicContact CD2-CD1 4.04Å; L506-I526 HydrophobicContact CG-CD1 4.44Å; L506-I530 HydrophobicContact CD1-CD1 3.39Å; L506-I530 HydrophobicContact CD2-CD1 4.34Å; L506-I530 HydrophobicContact CG-CD1 3.79Å; L506-I533 HydrophobicContact CD2-CD1 3.37Å; L506-I533 HydrophobicContact CG-CD1 3.94Å; L506-I543 HydrophobicContact CD2-CD1 3.9Å; L506-I543 HydrophobicContact CD2-CG1 4.3Å; L506-F564 HydrophobicContact CB-CE2 4.37Å; L506-F564 HydrophobicContact CB-CZ 4.03Å
507L90.8Very high87.7Confident1 Ų137.6 Ų37.61%0.00520%0.202CC..EExtended strand (participates in β ladder)trans-113.1123174.8176.571.7000109.2F458 F481 I498 I499 V509 W520 I523F458-L507 HydrophobicContact CZ-CD1 4.49Å; F481-L507 HydrophobicContact CD1-CD2 4.45Å; F481-L507 HydrophobicContact CE1-CB 3.61Å; F481-L507 HydrophobicContact CE1-CD2 3.73Å; F481-L507 HydrophobicContact CE1-CG 4.23Å; F481-L507 HydrophobicContact CZ-CB 3.64Å; I498-L507 CarbonylContact C-O 3.59Å; I498-L507 VanDerWaalsContact CA-O 3.31Å; I498-L507 WeakPolarHBondContact CA-O 3.46Å; I499-L507 PolarHBondContact N-O 2.85Å; I499-L507 PolarHBondContact O-N 3.03Å; L507-V509 HydrophobicContact CD2-CG2 3.71Å; L507-V509 HydrophobicContact CG-CG2 3.71Å; L507-W520 HydrophobicContact CD1-CB 4.2Å; L507-W520 HydrophobicContact CD1-CD2 3.99Å; L507-W520 HydrophobicContact CD1-CE3 4.02Å; L507-W520 HydrophobicContact CD1-CG 4.08Å; L507-W520 HydrophobicContact CD2-CD2 3.76Å; L507-W520 HydrophobicContact CD2-CE3 4.2Å; L507-W520 HydrophobicContact CD2-CG 4.14Å; L507-W520 HydrophobicContact CD2-CH2 4.43Å; L507-W520 HydrophobicContact CD2-CZ2 4.01Å; L507-W520 HydrophobicContact CG-CD2 4.45Å; L507-I523 HydrophobicContact CD1-CB 4.44Å
508L91.8Very high87.5Confident0 Ų037.6 Ų37.60%020%0.202CC..EExtended strand (participates in β ladder)trans-91.2125.9172.3-179.563.3000110.1I498 L521 D522 W535 L555 L562 F564I498-L508 HydrophobicContact CD1-CD1 4.36Å; I498-L508 HydrophobicContact CG1-CD1 3.72Å; L508-L521 HydrophobicContact CD2-CB 4.32Å; L508-L521 HydrophobicContact CD2-CD1 4.11Å; L508-L521 HydrophobicContact CG-CB 4.3Å; L508-L521 HydrophobicContact CG-CD1 4.1Å; L508-L521 PolarHBondContact O-N 2.97Å; L508-D522 HydrophobicContact CB-CB 4.43Å; L508-D522 PolarHBondContact N-O 3.24Å; L508-W535 HydrophobicContact CD1-CH2 4.13Å; L508-W535 HydrophobicContact CD1-CZ2 4.32Å; L508-L555 HydrophobicContact CD2-CD2 4.4Å; L508-L562 HydrophobicContact CD2-CB 3.85Å; L508-L562 WeakPolarHBondContact CD2-O 3.26Å; L508-F564 HydrophobicContact CB-CE2 3.7Å; L508-F564 HydrophobicContact CB-CZ 3.7Å
509V91.2Very high87.3Confident0 Ų038.3 Ų38.30%021%0.205CC..EExtended strand (participates in β ladder)trans-128.4133.3-177-174.70000110.8Y496 V497 I499 L507 M518 E519 W520Y496-V509 CarbonylContact C-O 3.59Å; Y496-V509 VanDerWaalsContact CA-O 3.26Å; Y496-V509 WeakPolarHBondContact CA-O 3.48Å; V497-V509 HydrophobicContact CG1-CB 3.78Å; V497-V509 HydrophobicContact CG1-CG1 4.32Å; V497-V509 HydrophobicContact CG1-CG2 4.49Å; V497-V509 PolarHBondContact N-O 2.99Å; V497-V509 PolarHBondContact O-N 2.84Å; I499-V509 HydrophobicContact CD1-CG2 4.41Å; L507-V509 HydrophobicContact CD2-CG2 3.71Å; L507-V509 HydrophobicContact CG-CG2 3.71Å; V509-M518 HydrophobicContact CB-CE 4.27Å; V509-M518 HydrophobicContact CG1-CB 3.83Å; V509-M518 HydrophobicContact CG1-CE 3.57Å; V509-M518 HydrophobicContact CG1-CG 4.21Å; V509-M518 HydrophobicContact CG2-CE 4.43Å; V509-E519 CarbonylContact C-O 3.55Å; V509-E519 WeakPolarHBondContact CA-O 3.35Å; V509-E519 WeakPolarHBondContact CG1-O 3.33Å; V509-W520 HydrophobicContact CG2-CG 4.43Å
510K91.3Very high87.2Confident72 Ų7238.6 Ų38.631%0.31321%0.207SC..EExtended strand (participates in β ladder)trans-86.5131.9166.8-173.1174.7-179.1179.40109.9Y496 L512 M518 E519 L521Y496-K510 HydrophobicContact CD1-CB 3.92Å; Y496-K510 HydrophobicContact CD1-CG 4.17Å; Y496-K510 HydrophobicContact CE1-CB 3.76Å; Y496-K510 HydrophobicContact CE1-CD 4.07Å; Y496-K510 HydrophobicContact CE1-CG 3.69Å; K510-L512 HydrophobicContact CD-CD2 4.14Å; K510-L512 HydrophobicContact CG-CD2 4.18Å; K510-M518 CarbonylContact O-C 3.54Å; K510-M518 WeakPolarHBondContact O-CA 3.35Å; K510-E519 HydrophobicContact CB-CB 4.3Å; K510-E519 PolarHBondContact N-O 3.4Å; K510-E519 PolarHBondContact O-N 2.85Å; K510-L521 HydrophobicContact CB-CD1 4.09Å; K510-L521 HydrophobicContact CB-CD2 4.14Å; K510-L521 HydrophobicContact CB-CG 4.25Å
511L90.6Very high87Confident16 Ų1638.1 Ų38.18%0.08421%0.205CC..EExtended strand (participates in β ladder)trans-91.1130.1174-57.8179.2000108.9F420 F428 S495 V497 M518F420-L511 HydrophobicContact CD2-CD1 4.26Å; F420-L511 HydrophobicContact CE2-CD1 3.81Å; F420-L511 HydrophobicContact CE2-CD2 3.88Å; F420-L511 HydrophobicContact CZ-CD2 4.38Å; F428-L511 HydrophobicContact CE2-CD2 4.38Å; F428-L511 HydrophobicContact CZ-CD2 4.42Å; S495-L511 WeakPolarHBondContact O-CB 3.22Å; S495-L511 PolarHBondContact O-N 2.94Å; V497-L511 HydrophobicContact CB-CD1 4.44Å; V497-L511 HydrophobicContact CG1-CD1 4.48Å; V497-L511 HydrophobicContact CG1-CD2 3.81Å; V497-L511 HydrophobicContact CG1-CG 4.24Å; L511-M518 HydrophobicContact CD2-CE 4.1Å; L511-M518 HydrophobicContact CD2-CG 3.88Å; L511-M518 HydrophobicContact CD2-SD 4.46Å
512L87.6Confident87.1Confident45 Ų4538.5 Ų38.524%0.23621%0.207CC..  trans-110.2145.6-178.7-56.1174000109.9K510 D514 P516 F517 E519K510-L512 HydrophobicContact CD-CD2 4.14Å; K510-L512 HydrophobicContact CG-CD2 4.18Å; L512-D514 WeakPolarHBondContact CB-O 3.15Å; L512-D514 PolarHBondContact O-N 2.88Å; L512-P516 HydrophobicContact CD1-CG 3.94Å; L512-F517 PolarHBondContact N-O 2.87Å; L512-E519 HydrophobicContact CD1-CB 4.32Å
513E81.7Confident87.3Confident132 Ų13235 Ų3562%0.61719%0.189SC*.SBendtrans-67.4-27.2176.7-67.8-176.4172.500112.5R426R426-E513 PolarHBondContact NH1-O 2.97Å; R426-E513 PolarHBondContact NH2-O 2.78Å
514D81.4Confident87.5Confident120 Ų12033 Ų3364%0.64217%0.174SC*.SBendtrans-127.8166.8-179.4-75.1-39.2000112.4L512 F517L512-D514 WeakPolarHBondContact CB-O 3.15Å; L512-D514 PolarHBondContact O-N 2.88Å; D514-F517 VanDerWaalsContact O-CA 3.3Å; D514-F517 WeakPolarHBondContact O-CA 3.42Å; D514-F517 WeakPolarHBondContact O-CD1 3.14Å; D514-F517 PolarHBondContact O-N 3.42Å
515S80.7Confident87.6Confident92 Ų9234.9 Ų34.964%0.64318%0.183SC*.THydrogen-bonded Turntrans-53.4129.2179.1-167.10000109.8F517S515-F517 VanDerWaalsContact CA-N 3.31Å
516P81.1Confident87.4Confident38 Ų3833.5 Ų33.525%0.24718%0.179CC..THydrogen-bonded Turncis-84.98.222.532-34.2000115.8V450 Y451 K453 L512 M518V450-P516 VanDerWaalsContact CG1-O 3.3Å; V450-P516 WeakPolarHBondContact CG1-O 3.26Å; Y451-P516 WeakPolarHBondContact O-CB 3.48Å; K453-P516 HydrophobicContact CB-CB 4.42Å; K453-P516 HydrophobicContact CB-CG 3.76Å; L512-P516 HydrophobicContact CD1-CG 3.94Å; P516-M518 PolarHBondContact O-N 3.44Å
517F86.2Confident87.1Confident11 Ų1139.9 Ų39.95%0.04821%0.214CC..  trans64.3-24.3179.3-49.9-59.6000115.9F428 T438 V450 L512 D514 S515F428-F517 HydrophobicContact CE1-CB 3.92Å; F428-F517 HydrophobicContact CZ-CB 4.22Å; T438-F517 HydrophobicContact CG2-CD2 3.95Å; T438-F517 HydrophobicContact CG2-CE2 4.12Å; T438-F517 HydrophobicContact CG2-CG 4.43Å; V450-F517 HydrophobicContact CG1-CB 4.19Å; V450-F517 HydrophobicContact CG2-CB 4.49Å; V450-F517 HydrophobicContact CG2-CD2 4.21Å; L512-F517 PolarHBondContact N-O 2.87Å; D514-F517 VanDerWaalsContact O-CA 3.3Å; D514-F517 WeakPolarHBondContact O-CA 3.42Å; D514-F517 WeakPolarHBondContact O-CD1 3.14Å; D514-F517 PolarHBondContact O-N 3.42Å; S515-F517 VanDerWaalsContact CA-N 3.31Å
518M88.7Confident86.7Confident0 Ų042.3 Ų42.30%023%0.227CC..EExtended strand (participates in β ladder)trans-141.5137.5178.7-67.3179.88100110.8F420 F428 I436 V450 P452 K453 V497 I499 V509 K510 L511 P516F420-M518 HydrophobicContact CZ-CE 4.16Å; F428-M518 HydrophobicContact CD1-CG 4.38Å; F428-M518 HydrophobicContact CD1-SD 3.94Å; F428-M518 HydrophobicContact CE1-CG 4Å; F428-M518 HydrophobicContact CE1-SD 4.16Å; I436-M518 HydrophobicContact CD1-CE 4.38Å; I436-M518 HydrophobicContact CD1-SD 4.2Å; I436-M518 HydrophobicContact CG2-SD 3.73Å; V450-M518 HydrophobicContact CG1-CB 4.1Å; V450-M518 HydrophobicContact CG1-CG 4.02Å; V450-M518 HydrophobicContact CG1-SD 4.04Å; P452-M518 VanDerWaalsContact CA-O 3.32Å; P452-M518 WeakPolarHBondContact CA-O 3.2Å; P452-M518 HydrophobicContact CB-CB 4.12Å; K453-M518 PolarHBondContact N-O 3.19Å; V497-M518 HydrophobicContact CG1-CE 4.18Å; I499-M518 HydrophobicContact CD1-CE 4.23Å; V509-M518 HydrophobicContact CB-CE 4.27Å; V509-M518 HydrophobicContact CG1-CB 3.83Å; V509-M518 HydrophobicContact CG1-CE 3.57Å; V509-M518 HydrophobicContact CG1-CG 4.21Å; V509-M518 HydrophobicContact CG2-CE 4.43Å; K510-M518 CarbonylContact O-C 3.54Å; K510-M518 WeakPolarHBondContact O-CA 3.35Å; L511-M518 HydrophobicContact CD2-CE 4.1Å; L511-M518 HydrophobicContact CD2-CG 3.88Å; L511-M518 HydrophobicContact CD2-SD 4.46Å; P516-M518 PolarHBondContact O-N 3.44Å
519E88.5Confident86.4Confident14 Ų1447 Ų477%0.06525%0.247CC..EExtended strand (participates in β ladder)trans-125.6120.5172.7-176.2174.8-146.200110K453 H455 V509 K510 L512 L521K453-E519 HydrophobicContact CB-CB 4.49Å; K453-E519 HydrophobicContact CB-CG 4.33Å; K453-E519 HydrophobicContact CD-CG 4.35Å; K453-E519 HydrophobicContact CG-CG 4.42Å; K453-E519 IonicContact NZ-OE1 3.88Å; K453-E519 PolarHBondContact NZ-OE1 3.06Å; K453-E519 CarbonylContact O-C 3.32Å; K453-E519 VanDerWaalsContact O-CA 3.28Å; K453-E519 WeakPolarHBondContact O-CA 3.43Å; H455-E519 HydrophobicContact CB-CG 4.25Å; H455-E519 IonicContact CE1-OE1 3.93Å; H455-E519 IonicContact CG-OE1 3.93Å; H455-E519 IonicContact ND1-OE1 3.65Å; H455-E519 PolarHBondContact ND1-OE1 2.76Å; V509-E519 CarbonylContact C-O 3.55Å; V509-E519 WeakPolarHBondContact CA-O 3.35Å; V509-E519 WeakPolarHBondContact CG1-O 3.33Å; K510-E519 HydrophobicContact CB-CB 4.3Å; K510-E519 PolarHBondContact N-O 3.4Å; K510-E519 PolarHBondContact O-N 2.85Å; L512-E519 HydrophobicContact CD1-CB 4.32Å; E519-L521 HydrophobicContact CG-CD2 4.07Å
520W89.3Confident86.3Confident8 Ų847.5 Ų47.53%0.0325%0.25CC..EExtended strand (participates in β ladder)trans-81.3120.4179-68.49.1000109.9P452 K453 I454 H455 F458 L465 L482 L507 V509P452-W520 VanDerWaalsContact CB-CD1 3.46Å; P452-W520 HydrophobicContact CB-CD2 4.33Å; P452-W520 HydrophobicContact CB-CG 4.15Å; P452-W520 HydrophobicContact CB-CZ2 4.4Å; P452-W520 HydrophobicContact CG-CD2 4.17Å; P452-W520 HydrophobicContact CG-CH2 4.44Å; P452-W520 HydrophobicContact CG-CZ2 3.53Å; P452-W520 VanDerWaalsContact CG-NE1 3.3Å; K453-W520 PolarHBondContact O-N 2.9Å; I454-W520 HydrophobicContact CG1-CE3 4.21Å; H455-W520 VanDerWaalsContact CB-O 3.23Å; H455-W520 WeakPolarHBondContact CB-O 3.46Å; H455-W520 PolarHBondContact N-O 3Å; F458-W520 HydrophobicContact CE2-CE3 4.32Å; F458-W520 HydrophobicContact CZ-CB 4.2Å; L465-W520 HydrophobicContact CD2-CH2 4.43Å; L465-W520 HydrophobicContact CD2-CZ3 3.76Å; L482-W520 HydrophobicContact CD1-CH2 4.11Å; L482-W520 HydrophobicContact CD1-CZ2 3.83Å; L507-W520 HydrophobicContact CD1-CB 4.2Å; L507-W520 HydrophobicContact CD1-CD2 3.99Å; L507-W520 HydrophobicContact CD1-CE3 4.02Å; L507-W520 HydrophobicContact CD1-CG 4.08Å; L507-W520 HydrophobicContact CD2-CD2 3.76Å; L507-W520 HydrophobicContact CD2-CE3 4.2Å; L507-W520 HydrophobicContact CD2-CG 4.14Å; L507-W520 HydrophobicContact CD2-CH2 4.43Å; L507-W520 HydrophobicContact CD2-CZ2 4.01Å; L507-W520 HydrophobicContact CG-CD2 4.45Å; V509-W520 HydrophobicContact CG2-CG 4.43Å
521L88.6Confident86.2Confident2 Ų246.6 Ų46.61%0.0125%0.247CC..EExtended strand (participates in β ladder)trans-98.5-51.7-171.7-53.3-178.1000112.3Y496 L508 K510 E519 T561 L562Y496-L521 HydrophobicContact CD1-CD1 3.93Å; Y496-L521 HydrophobicContact CE1-CD1 3.71Å; L508-L521 HydrophobicContact CD2-CB 4.32Å; L508-L521 HydrophobicContact CD2-CD1 4.11Å; L508-L521 HydrophobicContact CG-CB 4.3Å; L508-L521 HydrophobicContact CG-CD1 4.1Å; L508-L521 PolarHBondContact O-N 2.97Å; K510-L521 HydrophobicContact CB-CD1 4.09Å; K510-L521 HydrophobicContact CB-CD2 4.14Å; K510-L521 HydrophobicContact CB-CG 4.25Å; E519-L521 HydrophobicContact CG-CD2 4.07Å; L521-T561 HydrophobicContact CD2-CG2 4.32Å; L521-L562 WeakPolarHBondContact CB-O 3.38Å; L521-L562 HydrophobicContact CD1-CB 4.21Å
522D88.6Confident86.1Confident29 Ų2949.4 Ų49.416%0.15526%0.259CS..EExtended strand (participates in β ladder)trans-151153.3-172.1-158.69.8000112.1L508 S563 F564L508-D522 HydrophobicContact CB-CB 4.43Å; L508-D522 PolarHBondContact N-O 3.24Å; D522-S563 WeakPolarHBondContact OD2-CA 3.43Å; D522-S563 WeakPolarHBondContact OD2-CB 3.47Å; D522-F564 HydrophobicContact CB-CD2 3.98Å; D522-F564 HydrophobicContact CB-CE2 4.32Å; D522-F564 PolarHBondContact OD2-N 2.79Å
523I87Confident86.4Confident24 Ų2447.3 Ų47.312%0.12325%0.248CC..EExtended strand (participates in β ladder)trans-134.1133.5173.4-161177.5000110F458 V464 F481 Y505 L506 L507F458-I523 HydrophobicContact CB-CG2 3.66Å; F458-I523 HydrophobicContact CD1-CB 4.01Å; F458-I523 HydrophobicContact CD1-CG2 3.42Å; F458-I523 VanDerWaalsContact CD1-CG2 3.42Å; F458-I523 HydrophobicContact CD2-CG2 4.33Å; F458-I523 HydrophobicContact CE1-CB 4.22Å; F458-I523 HydrophobicContact CE1-CG2 4.13Å; F458-I523 HydrophobicContact CG-CB 4.41Å; F458-I523 HydrophobicContact CG-CG2 3.54Å; V464-I523 HydrophobicContact CG1-CD1 4.11Å; F481-I523 HydrophobicContact CD2-CD1 4.36Å; F481-I523 HydrophobicContact CE2-CD1 4.17Å; F481-I523 HydrophobicContact CZ-CD1 4.43Å; Y505-I523 HydrophobicContact CD1-CD1 4.27Å; L506-I523 VanDerWaalsContact O-CA 3.25Å; L506-I523 WeakPolarHBondContact O-CA 3.27Å; L506-I523 VanDerWaalsContact O-CG1 3.27Å; L506-I523 WeakPolarHBondContact O-CG1 3Å; L507-I523 HydrophobicContact CD1-CB 4.44Å
524V88Confident86.9Confident34 Ų3442.1 Ų42.121%0.20622%0.224CC..EExtended strand (participates in β ladder)trans-135.8149.4176.475.80000110.4Y505 L506 F564Y505-V524 CarbonylContact C-O 3.58Å; Y505-V524 WeakPolarHBondContact CA-O 3.15Å; L506-V524 HydrophobicContact CB-CG1 4.2Å; L506-V524 HydrophobicContact CD1-CG1 4.04Å; L506-V524 PolarHBondContact N-O 2.63Å; L506-V524 PolarHBondContact O-N 3.07Å; V524-F564 HydrophobicContact CB-CB 4.44Å; V524-F564 HydrophobicContact CB-CD2 3.93Å; V524-F564 HydrophobicContact CB-CG 4.35Å; V524-F564 HydrophobicContact CG1-CB 4.26Å; V524-F564 HydrophobicContact CG1-CD1 4.38Å; V524-F564 HydrophobicContact CG1-CD2 3.63Å; V524-F564 HydrophobicContact CG1-CE2 3.96Å; V524-F564 HydrophobicContact CG1-CG 3.84Å; V524-F564 HydrophobicContact CG1-CZ 4.47Å
525N87.4Confident87.4Confident38 Ų3837.5 Ų37.520%0.20320%0.197CC..EExtended strand (participates in β ladder)trans-113.5124174.5-173.4-0.8000110.2G504 Y505 N527G504-N525 PolarHBondContact O-OD1 2.71Å; Y505-N525 HydrophobicContact CD1-CB 3.74Å; Y505-N525 HydrophobicContact CE1-CB 3.72Å; Y505-N525 HydrophobicContact CG-CB 4.26Å; Y505-N525 VanDerWaalsContact CZ-ND2 3.31Å; N525-N527 PolarHBondContact ND2-OD1 2.82Å; N525-N527 PolarHBondContact OD1-N 3.12Å; N525-N527 PolarHBondContact OD1-OD1 2.96Å
526I84.6Confident87.9Confident27 Ų2733.3 Ų33.314%0.13817%0.168CC..  trans-87.3-10.9178.9-65.5-178.8000111.9G504 L506 D528 I530 I543 L545 L551 I553G504-I526 PolarHBondContact O-N 3.08Å; L506-I526 HydrophobicContact CD1-CB 4.39Å; L506-I526 HydrophobicContact CD1-CD1 3.49Å; L506-I526 VanDerWaalsContact CD1-CD1 3.49Å; L506-I526 HydrophobicContact CD1-CG1 3.58Å; L506-I526 HydrophobicContact CD2-CD1 4.04Å; L506-I526 HydrophobicContact CG-CD1 4.44Å; I526-D528 HydrophobicContact CG2-CB 4.47Å; I526-D528 PolarHBondContact O-N 2.97Å; I526-I530 HydrophobicContact CD1-CD1 4.15Å; I526-I543 HydrophobicContact CD1-CB 4.43Å; I526-I543 HydrophobicContact CD1-CD1 3.51Å; I526-I543 HydrophobicContact CD1-CG1 4.13Å; I526-I543 HydrophobicContact CD1-CG2 4.01Å; I526-L545 HydrophobicContact CG2-CD2 4.14Å; I526-L551 HydrophobicContact CG2-CD1 3.88Å; I526-I553 HydrophobicContact CD1-CD1 3.92Å
527N83.2Confident88.1Confident135 Ų13532.8 Ų32.872%0.72217%0.165SC*.SBendtrans55.625.9-177.6-68.5-30.8000114.3N525N525-N527 PolarHBondContact ND2-OD1 2.82Å; N525-N527 PolarHBondContact OD1-N 3.12Å; N525-N527 PolarHBondContact OD1-OD1 2.96Å
528D83.4Confident87.9Confident52 Ų5236.5 Ų36.528%0.27819%0.193SC..SBendtrans-144.7159.8173.2-163.8-3.4000109.8G504 I526 I530 L545G504-D528 WeakPolarHBondContact CA-O 3.3Å; I526-D528 HydrophobicContact CG2-CB 4.47Å; I526-D528 PolarHBondContact O-N 2.97Å; D528-I530 PolarHBondContact O-N 2.88Å; D528-L545 HydrophobicContact CB-CD2 4.12Å
529K86.1Confident87.8Confident97 Ų9739.2 Ų39.242%0.42221%0.211SC..  trans-74112.5179.1-178.9175.4179-178.80110I502 M531 T546I502-K529 HydrophobicContact CG1-CD 4.44Å; I502-K529 HydrophobicContact CG1-CG 4.47Å; K529-M531 HydrophobicContact CD-SD 4.3Å; K529-M531 HydrophobicContact CG-SD 4.14Å; K529-T546 HydrophobicContact CB-CG2 3.72Å; K529-T546 HydrophobicContact CD-CG2 3.88Å; K529-T546 HydrophobicContact CG-CG2 3.89Å
530I88.3Confident87.8Confident12 Ų1241.2 Ų41.26%0.06222%0.219CC..EExtended strand (participates in β ladder)trans-79.8121.9179-59.4164.9000109.9W500 L506 I526 D528 I533 I543W500-I530 HydrophobicContact CB-CD1 4.38Å; W500-I530 HydrophobicContact CG-CD1 4.42Å; W500-I530 HydrophobicContact CG-CG2 4.42Å; L506-I530 HydrophobicContact CD1-CD1 3.39Å; L506-I530 HydrophobicContact CD2-CD1 4.34Å; L506-I530 HydrophobicContact CG-CD1 3.79Å; I526-I530 HydrophobicContact CD1-CD1 4.15Å; D528-I530 PolarHBondContact O-N 2.88Å; I530-I533 HydrophobicContact CD1-CD1 4.49Å; I530-I533 HydrophobicContact CG2-CD1 4Å; I530-I533 HydrophobicContact CG2-CG1 3.58Å; I530-I543 HydrophobicContact CG1-CG2 4.1Å; I530-I543 HydrophobicContact CG2-CG2 3.94Å
531M88.8Confident88Confident53 Ų5340.9 Ų40.926%0.26122%0.217SC..EExtended strand (participates in β ladder)trans-91.9-34.7179.7-61.2-54.7-64.200112.2K529 G544 T546 W582K529-M531 HydrophobicContact CD-SD 4.3Å; K529-M531 HydrophobicContact CG-SD 4.14Å; M531-G544 PolarHBondContact N-O 3.29Å; M531-T546 HydrophobicContact CG-CG2 3.85Å; M531-T546 HydrophobicContact SD-CG2 3.58Å; M531-T546 VanDerWaalsContact SD-CG2 3.58Å; M531-W582 HydrophobicContact CB-CB 4.11Å; M531-W582 HydrophobicContact CB-CD2 4.21Å; M531-W582 HydrophobicContact CB-CG 3.83Å; M531-W582 HydrophobicContact CE-CD2 3.79Å; M531-W582 HydrophobicContact CE-CE3 3.82Å; M531-W582 HydrophobicContact CE-CH2 3.61Å; M531-W582 HydrophobicContact CE-CZ2 3.58Å; M531-W582 HydrophobicContact CE-CZ3 3.73Å; M531-W582 HydrophobicContact CG-CB 4.18Å; M531-W582 HydrophobicContact CG-CD2 4.08Å; M531-W582 HydrophobicContact CG-CE3 4.3Å; M531-W582 HydrophobicContact CG-CG 4.05Å
532K89.4Confident88.1Confident75 Ų7540.8 Ų40.833%0.32622%0.217SC..EExtended strand (participates in β ladder)trans-157.2146.7179.9-165.171.9175.5-173.50110.5I534 I543 G544 L583 N584K532-I534 HydrophobicContact CG-CD1 4.09Å; K532-I534 HydrophobicContact CG-CG1 3.93Å; K532-I543 WeakPolarHBondContact O-CA 3.26Å; K532-G544 PolarHBondContact O-N 3.01Å; K532-L583 VanDerWaalsContact CB-O 3.3Å; K532-L583 WeakPolarHBondContact CB-O 3.36Å; K532-N584 WeakPolarHBondContact CE-O 3.34Å
533I92.6Very high88.3Confident1 Ų139.4 Ų39.41%0.00521%0.21CC..EExtended strand (participates in β ladder)trans-125.7137.1168-53.5-169.6000108.1C489 I498 W500 L506 I530 I541 I542 I543C489-I533 PolarHBondContact SG-O 2.77Å; I498-I533 HydrophobicContact CD1-CG2 4.47Å; I498-I533 HydrophobicContact CG2-CD1 4.05Å; W500-I533 HydrophobicContact CB-CD1 4.26Å; W500-I533 HydrophobicContact CD2-CD1 3.45Å; W500-I533 VanDerWaalsContact CD2-CD1 3.45Å; W500-I533 HydrophobicContact CD2-CG1 3.85Å; W500-I533 HydrophobicContact CE3-CB 4.26Å; W500-I533 HydrophobicContact CE3-CD1 3.46Å; W500-I533 VanDerWaalsContact CE3-CD1 3.46Å; W500-I533 HydrophobicContact CE3-CG1 3.93Å; W500-I533 HydrophobicContact CG-CD1 3.83Å; W500-I533 HydrophobicContact CH2-CB 3.81Å; W500-I533 HydrophobicContact CH2-CD1 4.44Å; W500-I533 HydrophobicContact CH2-CG1 3.99Å; W500-I533 HydrophobicContact CZ2-CB 4.19Å; W500-I533 HydrophobicContact CZ2-CD1 4.44Å; W500-I533 HydrophobicContact CZ2-CG1 3.91Å; W500-I533 HydrophobicContact CZ3-CB 3.81Å; W500-I533 HydrophobicContact CZ3-CD1 3.94Å; W500-I533 HydrophobicContact CZ3-CG1 3.96Å; L506-I533 HydrophobicContact CD2-CD1 3.37Å; L506-I533 HydrophobicContact CG-CD1 3.94Å; I530-I533 HydrophobicContact CD1-CD1 4.49Å; I530-I533 HydrophobicContact CG2-CD1 4Å; I530-I533 HydrophobicContact CG2-CG1 3.58Å; I533-I541 HydrophobicContact CG2-CB 4.47Å; I533-I541 HydrophobicContact CG2-CD1 4.39Å; I533-I542 WeakPolarHBondContact CA-O 3.42Å; I533-I543 HydrophobicContact CB-CG1 4.43Å; I533-I543 HydrophobicContact CD1-CG1 4.01Å; I533-I543 HydrophobicContact CG1-CG1 3.81Å; I533-I543 HydrophobicContact CG2-CG1 4.2Å
534I92.7Very high88.4Confident22 Ų2238.2 Ų38.211%0.11320%0.204CC..EExtended strand (participates in β ladder)trans-137.7137-178.8-55.5160.1000108.8K532 I541 I542 L583 T585 A586K532-I534 HydrophobicContact CG-CD1 4.09Å; K532-I534 HydrophobicContact CG-CG1 3.93Å; I534-I541 CarbonylContact O-C 3.49Å; I534-I541 WeakPolarHBondContact O-CA 3.44Å; I534-I542 HydrophobicContact CB-CG2 3.77Å; I534-I542 HydrophobicContact CD1-CG2 4.43Å; I534-I542 PolarHBondContact N-O 2.83Å; I534-I542 PolarHBondContact O-N 2.87Å; I534-L583 HydrophobicContact CD1-CD2 4Å; I534-L583 HydrophobicContact CD1-CG 4.08Å; I534-T585 VanDerWaalsContact CD1-C 3.4Å; I534-A586 HydrophobicContact CD1-CB 4.08Å; I534-A586 HydrophobicContact CG2-CB 4.2Å
535W92.3Very high88.4Confident23 Ų2337.1 Ų37.19%0.08720%0.197CC..EExtended strand (participates in β ladder)trans-80.1121.7168.1-65.783.2000109.2C489 T490 P492 I498 L508 I541 L555C489-W535 PolarHBondContact O-NE1 2.71Å; C489-W535 VanDerWaalsContact SG-CD1 3.53Å; T490-W535 VanDerWaalsContact O-CD1 3.24Å; P492-W535 HydrophobicContact CG-CB 4.34Å; I498-W535 HydrophobicContact CD1-CH2 4.26Å; I498-W535 HydrophobicContact CD1-CZ2 3.58Å; I498-W535 HydrophobicContact CG1-CZ2 3.75Å; L508-W535 HydrophobicContact CD1-CH2 4.13Å; L508-W535 HydrophobicContact CD1-CZ2 4.32Å; W535-I541 HydrophobicContact CD2-CG2 3.76Å; W535-I541 HydrophobicContact CE3-CG2 3.78Å; W535-I541 HydrophobicContact CG-CG2 4.21Å; W535-I541 HydrophobicContact CZ3-CG2 4.24Å; W535-L555 HydrophobicContact CE3-CD1 3.95Å; W535-L555 HydrophobicContact CH2-CD1 3.52Å; W535-L555 HydrophobicContact CZ3-CD1 3.13Å
536I90.4Very high88.1Confident4 Ų438.6 Ų38.62%0.02121%0.207CC..EExtended strand (participates in β ladder)trans-99.9-21.8175.854.9168.8000111.8Y540 I542 I552 A586 L589 L605I536-Y540 VanDerWaalsContact CG1-O 3.26Å; I536-Y540 WeakPolarHBondContact CG1-O 3.35Å; I536-Y540 PolarHBondContact N-O 2.91Å; I536-I542 HydrophobicContact CG2-CB 4.29Å; I536-I542 HydrophobicContact CG2-CG2 3.66Å; I536-I552 HydrophobicContact CD1-CG2 4.03Å; I536-A586 HydrophobicContact CG2-CB 3.81Å; I536-L589 HydrophobicContact CD1-CD1 4.28Å; I536-L589 HydrophobicContact CD1-CD2 4.14Å; I536-L589 HydrophobicContact CD1-CG 4.28Å; I536-L605 HydrophobicContact CB-CD1 4.45Å; I536-L605 HydrophobicContact CD1-CD2 4.4Å; I536-L605 HydrophobicContact CG2-CD1 3.96Å
537S85.3Confident87.8Confident27 Ų2742.1 Ų42.119%0.18923%0.226CC..EExtended strand (participates in β ladder)trans-156.4-179.9164.876.40000109.5S539 Y540S537-S539 PolarHBondContact O-N 3.2Å; S537-S539 PolarHBondContact OG-N 3.02Å; S537-S539 VanDerWaalsContact OG-N 3.13Å; S537-Y540 PolarHBondContact N-O 2.96Å; S537-Y540 VanDerWaalsContact O-O 3.12Å; S537-Y540 WeakPolarHBondContact OG-CD2 3.43Å; S537-Y540 PolarHBondContact OG-N 2.55Å
538S83.7Confident87.6Confident90 Ų9036.2 Ų36.263%0.62920%0.197SC*.THydrogen-bonded Turntrans-61.5-22.8171.148.80000113.4
539S85.5Confident87.7Confident56 Ų5635.8 Ų35.839%0.39220%0.195SC..THydrogen-bonded Turntrans-107.1-6.5-175.2-50.50000113.9S537 P554 L555S537-S539 PolarHBondContact O-N 3.2Å; S537-S539 PolarHBondContact OG-N 3.02Å; S537-S539 VanDerWaalsContact OG-N 3.13Å; S539-P554 CarbonylContact O-C 3.59Å; S539-P554 WeakPolarHBondContact O-CA 3.31Å; S539-L555 PolarHBondContact O-N 3.25Å
540Y89.6Confident87.8Confident57 Ų5731.5 Ų31.522%0.22418%0.178CC..EExtended strand (participates in β ladder)trans-141.7139.6-176.3-63.3-83.5000112.1I536 S537 I552 P554 L589 F621I536-Y540 VanDerWaalsContact CG1-O 3.26Å; I536-Y540 WeakPolarHBondContact CG1-O 3.35Å; I536-Y540 PolarHBondContact N-O 2.91Å; S537-Y540 PolarHBondContact N-O 2.96Å; S537-Y540 VanDerWaalsContact O-O 3.12Å; S537-Y540 WeakPolarHBondContact OG-CD2 3.43Å; S537-Y540 PolarHBondContact OG-N 2.55Å; Y540-I552 HydrophobicContact CD1-CG2 4.03Å; Y540-P554 HydrophobicContact CD1-CB 3.91Å; Y540-P554 HydrophobicContact CE1-CB 3.7Å; Y540-L589 HydrophobicContact CD2-CD1 3.94Å; Y540-F621 HydrophobicContact CD1-CD1 4.25Å; Y540-F621 HydrophobicContact CD1-CE1 4.22Å; Y540-F621 AromaticContact CE1-CD1 3.68Å; Y540-F621 HydrophobicContact CE1-CD1 3.68Å; Y540-F621 HydrophobicContact CE1-CE1 4.11Å; Y540-F621 HydrophobicContact CE1-CG 4.16Å; Y540-F621 HydrophobicContact CE2-CG 4.45Å; Y540-F621 AromaticContact CZ-CD1 3.93Å; Y540-F621 AromaticContact CZ-CG 3.91Å; Y540-F621 WeakPolarHBondContact OH-CB 3.11Å
541I92.3Very high87.8Confident0 Ų032 Ų320%018%0.18CC..EExtended strand (participates in β ladder)trans-120.6153.9170.663.6173.8000110I498 I533 I534 W535 I543 I552 I553 L555 F564I498-I541 HydrophobicContact CD1-CD1 3.69Å; I498-I541 HydrophobicContact CD1-CG2 3.82Å; I533-I541 HydrophobicContact CG2-CB 4.47Å; I533-I541 HydrophobicContact CG2-CD1 4.39Å; I534-I541 CarbonylContact O-C 3.49Å; I534-I541 WeakPolarHBondContact O-CA 3.44Å; W535-I541 HydrophobicContact CD2-CG2 3.76Å; W535-I541 HydrophobicContact CE3-CG2 3.78Å; W535-I541 HydrophobicContact CG-CG2 4.21Å; W535-I541 HydrophobicContact CZ3-CG2 4.24Å; I541-I543 HydrophobicContact CD1-CD1 4Å; I541-I543 HydrophobicContact CG1-CD1 4.37Å; I541-I552 CarbonylContact O-C 3.58Å; I541-I552 VanDerWaalsContact O-CA 3.3Å; I541-I552 WeakPolarHBondContact O-CA 3.45Å; I541-I553 HydrophobicContact CD1-CB 4.18Å; I541-I553 HydrophobicContact CG1-CB 3.78Å; I541-I553 HydrophobicContact CG1-CG1 4.5Å; I541-I553 PolarHBondContact N-O 2.96Å; I541-I553 PolarHBondContact O-N 3.12Å; I541-L555 HydrophobicContact CG2-CD1 3.92Å; I541-L555 HydrophobicContact CG2-CG 4.41Å; I541-F564 HydrophobicContact CD1-CD1 4.1Å; I541-F564 HydrophobicContact CD1-CE1 3.66Å
542I91.8Very high87.8Confident0 Ų029.5 Ų29.50%017%0.168CC..EExtended strand (participates in β ladder)trans-121.1135.1173-169.7174.9000110.1I533 I534 I536 L551 I552 L571 L583 A586 L605 T607I533-I542 WeakPolarHBondContact CA-O 3.42Å; I534-I542 HydrophobicContact CB-CG2 3.77Å; I534-I542 HydrophobicContact CD1-CG2 4.43Å; I534-I542 PolarHBondContact N-O 2.83Å; I534-I542 PolarHBondContact O-N 2.87Å; I536-I542 HydrophobicContact CG2-CB 4.29Å; I536-I542 HydrophobicContact CG2-CG2 3.66Å; I542-L551 CarbonylContact C-O 3.53Å; I542-L551 WeakPolarHBondContact CA-O 3.44Å; I542-I552 HydrophobicContact CB-CG1 4.37Å; I542-I552 HydrophobicContact CD1-CG1 4.19Å; I542-I552 HydrophobicContact CG1-CG1 4.05Å; I542-L571 HydrophobicContact CD1-CD1 3.65Å; I542-L583 HydrophobicContact CB-CD2 4.26Å; I542-L583 HydrophobicContact CD1-CD1 4.33Å; I542-L583 HydrophobicContact CD1-CD2 3.79Å; I542-L583 HydrophobicContact CG1-CD2 3.66Å; I542-L583 HydrophobicContact CG2-CD2 3.77Å; I542-A586 HydrophobicContact CG2-CB 3.96Å; I542-L605 HydrophobicContact CD1-CD2 4.25Å; I542-T607 HydrophobicContact CD1-CG2 4.09Å
543I91.8Very high87.9Confident0 Ų025.9 Ų25.90%015%0.152CC..EExtended strand (participates in β ladder)trans-115.9128-179.3-73.4131.5000109.3L506 I526 I530 K532 I533 I541 L545 S550 L551 I553L506-I543 HydrophobicContact CD2-CD1 3.9Å; L506-I543 HydrophobicContact CD2-CG1 4.3Å; I526-I543 HydrophobicContact CD1-CB 4.43Å; I526-I543 HydrophobicContact CD1-CD1 3.51Å; I526-I543 HydrophobicContact CD1-CG1 4.13Å; I526-I543 HydrophobicContact CD1-CG2 4.01Å; I530-I543 HydrophobicContact CG1-CG2 4.1Å; I530-I543 HydrophobicContact CG2-CG2 3.94Å; K532-I543 WeakPolarHBondContact O-CA 3.26Å; I533-I543 HydrophobicContact CB-CG1 4.43Å; I533-I543 HydrophobicContact CD1-CG1 4.01Å; I533-I543 HydrophobicContact CG1-CG1 3.81Å; I533-I543 HydrophobicContact CG2-CG1 4.2Å; I541-I543 HydrophobicContact CD1-CD1 4Å; I541-I543 HydrophobicContact CG1-CD1 4.37Å; I543-L545 HydrophobicContact CG2-CD2 3.89Å; I543-S550 CarbonylContact O-C 3.58Å; I543-S550 WeakPolarHBondContact O-CA 3.36Å; I543-S550 WeakPolarHBondContact O-CB 3.47Å; I543-L551 HydrophobicContact CB-CB 4.48Å; I543-L551 PolarHBondContact N-O 2.84Å; I543-L551 PolarHBondContact O-N 3.38Å; I543-I553 HydrophobicContact CD1-CD1 3.22Å; I543-I553 HydrophobicContact CD1-CG1 3.64Å
544G89.6Confident87.7Confident0 Ų027.1 Ų27.10%016%0.16CC..EExtended strand (participates in β ladder)trans-92.8128.1172.500000112.2M531 K532M531-G544 PolarHBondContact N-O 3.29Å; K532-G544 PolarHBondContact O-N 3.01Å
545L87Confident87.5Confident11 Ų1126.4 Ų26.46%0.05816%0.157CC..EExtended strand (participates in β ladder)trans-100.5164.9179.7-58.6-178.6000112.2I526 D528 I543 N547 G548 D549 L551 W582I526-L545 HydrophobicContact CG2-CD2 4.14Å; D528-L545 HydrophobicContact CB-CD2 4.12Å; I543-L545 HydrophobicContact CG2-CD2 3.89Å; L545-N547 VanDerWaalsContact C-N 3.29Å; L545-N547 VanDerWaalsContact CB-OD1 3.28Å; L545-N547 WeakPolarHBondContact CB-OD1 3.49Å; L545-N547 PolarHBondContact O-N 3.01Å; L545-G548 PolarHBondContact O-N 3.43Å; L545-D549 PolarHBondContact N-O 3.43Å; L545-L551 HydrophobicContact CD1-CD1 3.92Å; L545-L551 HydrophobicContact CD1-CG 3.94Å; L545-L551 HydrophobicContact CD2-CD1 4.5Å; L545-L551 HydrophobicContact CG-CG 4.46Å; L545-W582 WeakPolarHBondContact O-CB 3.44Å
546T82Confident87.2Confident69 Ų6929.6 Ų29.642%0.42318%0.175SC..THydrogen-bonded Turntrans-67-28.2-179.754.20000113.9K529 M531 G548K529-T546 HydrophobicContact CB-CG2 3.72Å; K529-T546 HydrophobicContact CD-CG2 3.88Å; K529-T546 HydrophobicContact CG-CG2 3.89Å; M531-T546 HydrophobicContact CG-CG2 3.85Å; M531-T546 HydrophobicContact SD-CG2 3.58Å; M531-T546 VanDerWaalsContact SD-CG2 3.58Å; T546-G548 PolarHBondContact O-N 2.83Å
547N78.2Confident86.9Confident100 Ų10035.6 Ų35.654%0.53521%0.205SC..THydrogen-bonded Turntrans-73.8-8.4178.267.4-4000113.5L545 D549L545-N547 VanDerWaalsContact C-N 3.29Å; L545-N547 VanDerWaalsContact CB-OD1 3.28Å; L545-N547 WeakPolarHBondContact CB-OD1 3.49Å; L545-N547 PolarHBondContact O-N 3.01Å; N547-D549 PolarHBondContact ND2-OD2 2.8Å; N547-D549 WeakPolarHBondContact OD1-CB 3.44Å; N547-D549 PolarHBondContact OD1-N 2.82Å
548G79Confident86.7Confident12 Ų1237.1 Ų37.112%0.12421%0.213CC..SBendtrans95.7-11.2-178.400000114.6L545 T546L545-G548 PolarHBondContact O-N 3.43Å; T546-G548 PolarHBondContact O-N 2.83Å
549D84.7Confident86.4Confident42 Ų4239.8 Ų39.823%0.22522%0.216CC..  trans-76159.2173.6-67.4-26.1000110.8L545 N547 K572 G573L545-D549 PolarHBondContact N-O 3.43Å; N547-D549 PolarHBondContact ND2-OD2 2.8Å; N547-D549 WeakPolarHBondContact OD1-CB 3.44Å; N547-D549 PolarHBondContact OD1-N 2.82Å; D549-K572 WeakPolarHBondContact OD1-CA 3.3Å; D549-G573 PolarHBondContact OD1-N 2.95Å
550S88.1Confident85.9Confident8 Ų844.6 Ų44.66%0.05624%0.237CC..EExtended strand (participates in β ladder)trans-126.1142.2174-52.80000111.5I543 L571I543-S550 CarbonylContact O-C 3.58Å; I543-S550 WeakPolarHBondContact O-CA 3.36Å; I543-S550 WeakPolarHBondContact O-CB 3.47Å; S550-L571 PolarHBondContact N-O 3.37Å; S550-L571 PolarHBondContact O-N 2.93Å
551L89.7Confident85.5Confident21 Ų2142.6 Ų42.611%0.1123%0.231CC..EExtended strand (participates in β ladder)trans-108.6125.1176.9-59.8178.5000109.3I526 I542 I543 L545 I570I526-L551 HydrophobicContact CG2-CD1 3.88Å; I542-L551 CarbonylContact C-O 3.53Å; I542-L551 WeakPolarHBondContact CA-O 3.44Å; I543-L551 HydrophobicContact CB-CB 4.48Å; I543-L551 PolarHBondContact N-O 2.84Å; I543-L551 PolarHBondContact O-N 3.38Å; L545-L551 HydrophobicContact CD1-CD1 3.92Å; L545-L551 HydrophobicContact CD1-CG 3.94Å; L545-L551 HydrophobicContact CD2-CD1 4.5Å; L545-L551 HydrophobicContact CG-CG 4.46Å; L551-I570 HydrophobicContact CD2-CB 4.44Å; L551-I570 HydrophobicContact CD2-CD1 4.42Å; L551-I570 HydrophobicContact CD2-CG1 3.75Å; L551-I570 HydrophobicContact CD2-CG2 4.46Å
552I89.1Confident85.2Confident1 Ų143.6 Ų43.61%0.00524%0.236CC..EExtended strand (participates in β ladder)trans-92.4126.3167.5-55.7171.8000108I536 Y540 I541 I542 F568 T569 L571 L605 F621I536-I552 HydrophobicContact CD1-CG2 4.03Å; Y540-I552 HydrophobicContact CD1-CG2 4.03Å; I541-I552 CarbonylContact O-C 3.58Å; I541-I552 VanDerWaalsContact O-CA 3.3Å; I541-I552 WeakPolarHBondContact O-CA 3.45Å; I542-I552 HydrophobicContact CB-CG1 4.37Å; I542-I552 HydrophobicContact CD1-CG1 4.19Å; I542-I552 HydrophobicContact CG1-CG1 4.05Å; I552-F568 WeakPolarHBondContact O-CA 3.19Å; I552-T569 PolarHBondContact N-O 2.87Å; I552-T569 PolarHBondContact O-N 2.81Å; I552-T569 VanDerWaalsContact O-N 3.08Å; I552-L571 HydrophobicContact CD1-CD1 4.09Å; I552-L571 HydrophobicContact CD1-CD2 4.08Å; I552-L571 HydrophobicContact CD1-CG 4.1Å; I552-L571 HydrophobicContact CG1-CD1 4.37Å; I552-L571 HydrophobicContact CG1-CG 4.35Å; I552-L605 HydrophobicContact CD1-CD2 3.76Å; I552-F621 HydrophobicContact CD1-CE1 4.12Å; I552-F621 HydrophobicContact CD1-CZ 4.32Å; I552-F621 HydrophobicContact CG2-CE1 4.08Å
553I89.7Confident85Confident0 Ų044 Ų440%024%0.239CC..EExtended strand (participates in β ladder)trans-113121.9177.1-52.3-168.4000108.7I526 I541 I543 F564 F568I526-I553 HydrophobicContact CD1-CD1 3.92Å; I541-I553 HydrophobicContact CD1-CB 4.18Å; I541-I553 HydrophobicContact CG1-CB 3.78Å; I541-I553 HydrophobicContact CG1-CG1 4.5Å; I541-I553 PolarHBondContact N-O 2.96Å; I541-I553 PolarHBondContact O-N 3.12Å; I543-I553 HydrophobicContact CD1-CD1 3.22Å; I543-I553 HydrophobicContact CD1-CG1 3.64Å; I553-F564 HydrophobicContact CG2-CB 4.23Å; I553-F564 HydrophobicContact CG2-CD1 4.1Å; I553-F568 HydrophobicContact CB-CD1 4.23Å; I553-F568 HydrophobicContact CB-CE1 4.41Å; I553-F568 HydrophobicContact CD1-CD1 3.96Å; I553-F568 HydrophobicContact CD1-CE1 3.67Å; I553-F568 HydrophobicContact CG1-CD1 3.59Å; I553-F568 HydrophobicContact CG1-CE1 3.81Å; I553-F568 HydrophobicContact CG2-CD1 4.17Å; I553-F568 HydrophobicContact CG2-CE1 3.97Å
554P88.6Confident84.9Confident26 Ų2644.6 Ų44.617%0.16924%0.242CC..EExtended strand (participates in β ladder)trans-70.8142.1169.425.6-26.8000110.4S539 Y540 L556 G565 I567S539-P554 CarbonylContact O-C 3.59Å; S539-P554 WeakPolarHBondContact O-CA 3.31Å; Y540-P554 HydrophobicContact CD1-CB 3.91Å; Y540-P554 HydrophobicContact CE1-CB 3.7Å; P554-L556 HydrophobicContact CB-CD2 4.43Å; P554-G565 WeakPolarHBondContact O-CA 3.13Å; P554-G565 PolarHBondContact O-N 2.86Å; P554-I567 WeakPolarHBondContact CD-O 3.1Å
555L89.1Confident84.6Confident8 Ų844.8 Ų44.84%0.04224%0.243CC..EExtended strand (participates in β ladder)trans-101.8113.2170.5-61.2174.6000108.2L508 W535 S539 I541 L562 S563 F564L508-L555 HydrophobicContact CD2-CD2 4.4Å; W535-L555 HydrophobicContact CE3-CD1 3.95Å; W535-L555 HydrophobicContact CH2-CD1 3.52Å; W535-L555 HydrophobicContact CZ3-CD1 3.13Å; S539-L555 PolarHBondContact O-N 3.25Å; I541-L555 HydrophobicContact CG2-CD1 3.92Å; I541-L555 HydrophobicContact CG2-CG 4.41Å; L555-L562 HydrophobicContact CB-CD2 3.48Å; L555-L562 VanDerWaalsContact CB-CD2 3.48Å; L555-L562 HydrophobicContact CD1-CD2 4.34Å; L555-S563 CarbonylContact C-O 3.52Å; L555-S563 WeakPolarHBondContact CA-O 3.3Å; L555-F564 HydrophobicContact CD2-CD1 3.57Å; L555-F564 HydrophobicContact CD2-CE1 3.85Å; L555-F564 HydrophobicContact CD2-CG 4.43Å
556L86.6Confident84.1Confident90 Ų9053.8 Ų53.847%0.47128%0.282SS..EExtended strand (participates in β ladder)trans-101.5137.6-174.6-59.7174.5000109.7P554 V558 L562 S563P554-L556 HydrophobicContact CB-CD2 4.43Å; L556-V558 HydrophobicContact CB-CG2 4.36Å; L556-V558 PolarHBondContact O-N 3.35Å; L556-L562 CarbonylContact O-C 3.5Å; L556-S563 PolarHBondContact N-O 2.87Å; L556-S563 PolarHBondContact O-N 2.79Å; L556-S563 PolarHBondContact O-OG 2.97Å; L556-S563 VanDerWaalsContact O-OG 3.05Å
557I84.4Confident83.6Confident129 Ų12954.4 Ų54.466%0.66228%0.282SS*.EExtended strand (participates in β ladder)trans-80.1112.1171.3-58.1174000107.6T561 L562I557-T561 CarbonylContact C-O 3.54Å; I557-T561 WeakPolarHBondContact CA-O 3.4Å; I557-L562 HydrophobicContact CG1-CG 4.46Å
558V80.2Confident83.5Confident59 Ų5952.4 Ų52.436%0.35827%0.269SS..EExtended strand (participates in β ladder)trans-120.9121.3174.7-175.30000107.1R456 L556 N560 T561 S563R456-V558 PolarHBondContact NH2-O 2.81Å; L556-V558 HydrophobicContact CB-CG2 4.36Å; L556-V558 PolarHBondContact O-N 3.35Å; V558-N560 PolarHBondContact O-N 2.83Å; V558-T561 PolarHBondContact N-O 3.26Å; V558-T561 PolarHBondContact O-N 2.92Å; V558-T561 PolarHBondContact O-OG1 2.82Å; V558-S563 WeakPolarHBondContact CG2-OG 3.45Å
559E76.9Confident83.5Confident147 Ų14752.9 Ų52.969%0.68727%0.269SS*.THydrogen-bonded Turntrans55.545-179.5-59.1169.2152.500113.5R456 T561R456-E559 IonicContact CZ-OE2 2.75Å; R456-E559 IonicContact NE-OE2 3.97Å; R456-E559 IonicContact NH2-OE2 3.16Å; R456-E559 PolarHBondContact NH2-OE2 2.9Å; E559-T561 PolarHBondContact O-N 2.68Å; E559-T561 VanDerWaalsContact O-N 3.13Å
560N76.5Confident83.4Confident157 Ų15753.5 Ų53.584%0.8427%0.272SS*.THydrogen-bonded Turntrans60.615.2-176-66.8-11.4000115.2V558V558-N560 PolarHBondContact O-N 2.83Å
561T80.6Confident83.1Confident14 Ų1453.1 Ų53.19%0.08627%0.269CS..EExtended strand (participates in β ladder)trans-124.1148.117260.60000111.4H455 L521 I557 V558 E559H455-T561 VanDerWaalsContact NE2-CG2 3.32Å; H455-T561 WeakPolarHBondContact NE2-CG2 3.12Å; L521-T561 HydrophobicContact CD2-CG2 4.32Å; I557-T561 CarbonylContact C-O 3.54Å; I557-T561 WeakPolarHBondContact CA-O 3.4Å; V558-T561 PolarHBondContact N-O 3.26Å; V558-T561 PolarHBondContact O-N 2.92Å; V558-T561 PolarHBondContact O-OG1 2.82Å; E559-T561 PolarHBondContact O-N 2.68Å; E559-T561 VanDerWaalsContact O-N 3.13Å
562L85.7Confident82.6Confident22 Ų2257 Ų5712%0.11529%0.285CS..EExtended strand (participates in β ladder)trans-75.7138.6174.2-84.6134.6000110.1Y496 L508 L521 L555 L556 I557Y496-L562 HydrophobicContact CD1-CD1 4.36Å; Y496-L562 HydrophobicContact CD2-CD1 4.25Å; Y496-L562 HydrophobicContact CE1-CD1 3.74Å; Y496-L562 HydrophobicContact CE2-CD1 3.61Å; Y496-L562 WeakPolarHBondContact OH-CD1 3.27Å; L508-L562 HydrophobicContact CD2-CB 3.85Å; L508-L562 WeakPolarHBondContact CD2-O 3.26Å; L521-L562 WeakPolarHBondContact CB-O 3.38Å; L521-L562 HydrophobicContact CD1-CB 4.21Å; L555-L562 HydrophobicContact CB-CD2 3.48Å; L555-L562 VanDerWaalsContact CB-CD2 3.48Å; L555-L562 HydrophobicContact CD1-CD2 4.34Å; L556-L562 CarbonylContact O-C 3.5Å; I557-L562 HydrophobicContact CG1-CG 4.46Å
563S88.6Confident81.5Confident7 Ų757.9 Ų57.95%0.04929%0.294CS..EExtended strand (participates in β ladder)trans-139.4158176.456.20000110.2D522 L555 L556 V558D522-S563 WeakPolarHBondContact OD2-CA 3.43Å; D522-S563 WeakPolarHBondContact OD2-CB 3.47Å; L555-S563 CarbonylContact C-O 3.52Å; L555-S563 WeakPolarHBondContact CA-O 3.3Å; L556-S563 PolarHBondContact N-O 2.87Å; L556-S563 PolarHBondContact O-N 2.79Å; L556-S563 PolarHBondContact O-OG 2.97Å; L556-S563 VanDerWaalsContact O-OG 3.05Å; V558-S563 WeakPolarHBondContact CG2-OG 3.45Å
564F88.3Confident80.2Confident14 Ų1459.7 Ų59.76%0.06131%0.307CS..EExtended strand (participates in β ladder)trans-74.1132.3176.1-62.8-72.5000110.2I498 L506 L508 D522 V524 I541 I553 L555I498-F564 HydrophobicContact CD1-CE1 4.19Å; I498-F564 HydrophobicContact CD1-CZ 4.5Å; I498-F564 HydrophobicContact CG1-CZ 4.47Å; L506-F564 HydrophobicContact CB-CE2 4.37Å; L506-F564 HydrophobicContact CB-CZ 4.03Å; L508-F564 HydrophobicContact CB-CE2 3.7Å; L508-F564 HydrophobicContact CB-CZ 3.7Å; D522-F564 HydrophobicContact CB-CD2 3.98Å; D522-F564 HydrophobicContact CB-CE2 4.32Å; D522-F564 PolarHBondContact OD2-N 2.79Å; V524-F564 HydrophobicContact CB-CB 4.44Å; V524-F564 HydrophobicContact CB-CD2 3.93Å; V524-F564 HydrophobicContact CB-CG 4.35Å; V524-F564 HydrophobicContact CG1-CB 4.26Å; V524-F564 HydrophobicContact CG1-CD1 4.38Å; V524-F564 HydrophobicContact CG1-CD2 3.63Å; V524-F564 HydrophobicContact CG1-CE2 3.96Å; V524-F564 HydrophobicContact CG1-CG 3.84Å; V524-F564 HydrophobicContact CG1-CZ 4.47Å; I541-F564 HydrophobicContact CD1-CD1 4.1Å; I541-F564 HydrophobicContact CD1-CE1 3.66Å; I553-F564 HydrophobicContact CG2-CB 4.23Å; I553-F564 HydrophobicContact CG2-CD1 4.1Å; L555-F564 HydrophobicContact CD2-CD1 3.57Å; L555-F564 HydrophobicContact CD2-CE1 3.85Å; L555-F564 HydrophobicContact CD2-CG 4.43Å
565G83.6Confident78.6Confident3 Ų365.7 Ų65.73%0.03134%0.338CS..  trans-69.6150170.100000111.7P554 F568P554-G565 WeakPolarHBondContact O-CA 3.13Å; P554-G565 PolarHBondContact O-N 2.86Å; G565-F568 VanDerWaalsContact O-CE1 3.29Å; G565-F568 WeakPolarHBondContact O-CE1 3.41Å
566K76.3Confident76.9Confident200 Ų20067.9 Ų67.987%0.8735%0.353SS*.SBendtrans-84.8-13.9-179.6-64.5-173.8178.8-177.40114
567I72.1Confident75.1Confident83 Ų8372.2 Ų72.243%0.42638%0.376SS..  trans-102.8128.7-177.8-53.3-176.8000108.1P554 E624 T626P554-I567 WeakPolarHBondContact CD-O 3.1Å; I567-E624 VanDerWaalsContact CD1-O 3.22Å; I567-E624 WeakPolarHBondContact CD1-O 3.48Å; I567-T626 HydrophobicContact CG2-CG2 3.88Å
568F76.2Confident73.5Confident58 Ų5875 Ų7525%0.25438%0.383SS..  trans-116.7140.3-176.2-47.3-54.1000110.9I552 I553 G565 T626I552-F568 WeakPolarHBondContact O-CA 3.19Å; I553-F568 HydrophobicContact CB-CD1 4.23Å; I553-F568 HydrophobicContact CB-CE1 4.41Å; I553-F568 HydrophobicContact CD1-CD1 3.96Å; I553-F568 HydrophobicContact CD1-CE1 3.67Å; I553-F568 HydrophobicContact CG1-CD1 3.59Å; I553-F568 HydrophobicContact CG1-CE1 3.81Å; I553-F568 HydrophobicContact CG2-CD1 4.17Å; I553-F568 HydrophobicContact CG2-CE1 3.97Å; G565-F568 VanDerWaalsContact O-CE1 3.29Å; G565-F568 WeakPolarHBondContact O-CE1 3.41Å; F568-T626 WeakPolarHBondContact O-CG2 3.31Å
569T79.1Confident72.4Confident22 Ų2277.1 Ų77.114%0.13539%0.393CS..EExtended strand (participates in β ladder)trans-96.2128.2169.5-57.50000109I552 V619 Y629I552-T569 PolarHBondContact N-O 2.87Å; I552-T569 PolarHBondContact O-N 2.81Å; I552-T569 VanDerWaalsContact O-N 3.08Å; T569-V619 HydrophobicContact CG2-CG1 4.37Å; T569-Y629 HydrophobicContact CG2-CD2 3.42Å; T569-Y629 VanDerWaalsContact CG2-CD2 3.42Å; T569-Y629 HydrophobicContact CG2-CE2 3.57Å
570I81.1Confident71.5Confident54 Ų5476.5 Ų76.528%0.27739%0.391SS..EExtended strand (participates in β ladder)trans-98.6120.9-177.7-53.1-179.2000109.2L551 K627 V628 Y629L551-I570 HydrophobicContact CD2-CB 4.44Å; L551-I570 HydrophobicContact CD2-CD1 4.42Å; L551-I570 HydrophobicContact CD2-CG1 3.75Å; L551-I570 HydrophobicContact CD2-CG2 4.46Å; I570-K627 PolarHBondContact N-O 3.24Å; I570-K627 VanDerWaalsContact N-O 3.11Å; I570-V628 HydrophobicContact CB-CG2 4.26Å; I570-V628 CarbonylContact O-C 3.47Å; I570-V628 WeakPolarHBondContact O-CA 3.32Å; I570-Y629 PolarHBondContact O-N 2.8Å
571L83.6Confident71.3Confident0 Ų070.2 Ų70.20%036%0.357CS..EExtended strand (participates in β ladder)trans-94.3113.9167.2-54.5-175000108.5I542 S550 I552 L605 T607 Y617 V619I542-L571 HydrophobicContact CD1-CD1 3.65Å; S550-L571 PolarHBondContact N-O 3.37Å; S550-L571 PolarHBondContact O-N 2.93Å; I552-L571 HydrophobicContact CD1-CD1 4.09Å; I552-L571 HydrophobicContact CD1-CD2 4.08Å; I552-L571 HydrophobicContact CD1-CG 4.1Å; I552-L571 HydrophobicContact CG1-CD1 4.37Å; I552-L571 HydrophobicContact CG1-CG 4.35Å; L571-L605 HydrophobicContact CD1-CD2 3.78Å; L571-T607 HydrophobicContact CD1-CG2 4.26Å; L571-Y617 HydrophobicContact CB-CD1 4.49Å; L571-Y617 HydrophobicContact CB-CE1 4.01Å; L571-Y617 HydrophobicContact CD1-CD2 4.21Å; L571-Y617 HydrophobicContact CD1-CE2 4.25Å; L571-Y617 HydrophobicContact CD1-CG 4.42Å; L571-Y617 HydrophobicContact CD2-CD1 3.95Å; L571-Y617 HydrophobicContact CD2-CE1 4.32Å; L571-Y617 HydrophobicContact CD2-CG 4.2Å; L571-V619 HydrophobicContact CD2-CG2 4.29Å
572K78.2Confident71.5Confident103 Ų10371.6 Ų71.645%0.44836%0.36SS..PPolyproline II helixtrans-72.3132.3176.7-90.7-178.51761750111D549 Y617 V628 Y629D549-K572 WeakPolarHBondContact OD1-CA 3.3Å; K572-Y617 PolarHBondContact O-OH 2.95Å; K572-Y617 VanDerWaalsContact O-OH 3.14Å; K572-V628 HydrophobicContact CB-CG1 4.34Å; K572-V628 HydrophobicContact CD-CG1 3.56Å; K572-V628 HydrophobicContact CG-CG1 3.58Å; K572-Y629 PolarHBondContact N-O 3.41Å
573G66.7Low71.7Confident19 Ų1970.7 Ų70.720%0.19636%0.355CS..PPolyproline II helixtrans-72.1169.8166.100000112.2D549 N575D549-G573 PolarHBondContact OD1-N 2.95Å; G573-N575 PolarHBondContact O-N 2.89Å
574S62Low71.7Confident38 Ų3871.2 Ų71.227%0.26636%0.358SS..PPolyproline II helixtrans-66.7129.3170.81740000110.3S576S574-S576 PolarHBondContact O-N 2.8Å
575N55.6Low72Confident153 Ų15371.1 Ų71.182%0.81836%0.359SS*.SBendtrans-54.523.7-176.2-74-10.3000118.3G573 L577G573-N575 PolarHBondContact O-N 2.89Å; N575-L577 PolarHBondContact O-N 2.85Å
576S51.7Low72.4Confident53 Ų5371.4 Ų71.437%0.37136%0.361SS..  trans-95.297.2179-176.10000110.9S574 K578S574-S576 PolarHBondContact O-N 2.8Å; S576-K578 PolarHBondContact O-N 3.08Å
577L49.4Very low73.2Confident181 Ų18162 Ų6295%0.94832%0.32SS*.THydrogen-bonded Turntrans-57.83.3176.9-91.4122.2000116.1N575N575-L577 PolarHBondContact O-N 2.85Å
578K51.3Low73.9Confident188 Ų18863 Ų6382%0.81732%0.323SS*.THydrogen-bonded Turntrans-118.9-2.1-167.3-77.9-169.4175.3-177.50117.5S576S576-K578 PolarHBondContact O-N 3.08Å
579N56.4Low74.3Confident103 Ų10360.8 Ų60.855%0.55131%0.314SS*.SBendtrans-130.2145.8-176.9-67-7.9000112K581N579-K581 VanDerWaalsContact C-N 3.31Å; N579-K581 HydrophobicContact CB-CG 4.04Å; N579-K581 WeakPolarHBondContact O-CG 3.49Å; N579-K581 PolarHBondContact O-N 2.97Å
580M58.5Low74.6Confident134 Ų13459.8 Ų59.866%0.6631%0.308SS*.  trans-64.681.1175.7-72.8-171.1160.200111.9W582M580-W582 HydrophobicContact CB-CE3 4.2Å; M580-W582 HydrophobicContact CB-CH2 4.17Å; M580-W582 HydrophobicContact CB-CZ3 3.81Å; M580-W582 HydrophobicContact CE-CH2 3.95Å; M580-W582 HydrophobicContact CE-CZ3 4.03Å; M580-W582 HydrophobicContact CG-CE3 4.47Å; M580-W582 HydrophobicContact CG-CH2 4.03Å; M580-W582 HydrophobicContact CG-CZ3 3.67Å; M580-W582 HydrophobicContact SD-CH2 3.47Å; M580-W582 WeakPolarHBondContact SD-CH2 3.34Å; M580-W582 HydrophobicContact SD-CZ2 4.48Å; M580-W582 HydrophobicContact SD-CZ3 3.74Å
581K72.6Confident74.6Confident25 Ų2558.9 Ų58.911%0.10931%0.305CS..  trans-108.536.4-173.7-63.1-166.4179.7-172.40114.1N579 D611N579-K581 VanDerWaalsContact C-N 3.31Å; N579-K581 HydrophobicContact CB-CG 4.04Å; N579-K581 WeakPolarHBondContact O-CG 3.49Å; N579-K581 PolarHBondContact O-N 2.97Å; K581-D611 WeakPolarHBondContact CE-OD2 3.32Å; K581-D611 HydrophobicContact CG-CB 4.43Å; K581-D611 WeakPolarHBondContact CG-OD2 3.44Å
582W83.8Confident74.2Confident43 Ų4359.3 Ų59.316%0.16331%0.307CS..  trans-74.6157.2175.261.672.1000111.7M531 L545 M580 T609 R610M531-W582 HydrophobicContact CB-CB 4.11Å; M531-W582 HydrophobicContact CB-CD2 4.21Å; M531-W582 HydrophobicContact CB-CG 3.83Å; M531-W582 HydrophobicContact CE-CD2 3.79Å; M531-W582 HydrophobicContact CE-CE3 3.82Å; M531-W582 HydrophobicContact CE-CH2 3.61Å; M531-W582 HydrophobicContact CE-CZ2 3.58Å; M531-W582 HydrophobicContact CE-CZ3 3.73Å; M531-W582 HydrophobicContact CG-CB 4.18Å; M531-W582 HydrophobicContact CG-CD2 4.08Å; M531-W582 HydrophobicContact CG-CE3 4.3Å; M531-W582 HydrophobicContact CG-CG 4.05Å; L545-W582 WeakPolarHBondContact O-CB 3.44Å; M580-W582 HydrophobicContact CB-CE3 4.2Å; M580-W582 HydrophobicContact CB-CH2 4.17Å; M580-W582 HydrophobicContact CB-CZ3 3.81Å; M580-W582 HydrophobicContact CE-CH2 3.95Å; M580-W582 HydrophobicContact CE-CZ3 4.03Å; M580-W582 HydrophobicContact CG-CE3 4.47Å; M580-W582 HydrophobicContact CG-CH2 4.03Å; M580-W582 HydrophobicContact CG-CZ3 3.67Å; M580-W582 HydrophobicContact SD-CH2 3.47Å; M580-W582 WeakPolarHBondContact SD-CH2 3.34Å; M580-W582 HydrophobicContact SD-CZ2 4.48Å; M580-W582 HydrophobicContact SD-CZ3 3.74Å; W582-T609 WeakPolarHBondContact O-CA 3.36Å; W582-R610 HydrophobicContact CD2-CB 4.43Å; W582-R610 HydrophobicContact CG-CB 4.4Å; W582-R610 HydrophobicContact CZ2-CB 4.5Å; W582-R610 HydrophobicContact CZ2-CG 3.94Å; W582-R610 PolarHBondContact O-N 2.6Å
583L89.8Confident73.8Confident3 Ų357 Ų572%0.01630%0.299CS..EExtended strand (participates in β ladder)trans-58.4131.1173.3-176.874.8000111.5K532 I534 I542 T585 T607K532-L583 VanDerWaalsContact CB-O 3.3Å; K532-L583 WeakPolarHBondContact CB-O 3.36Å; I534-L583 HydrophobicContact CD1-CD2 4Å; I534-L583 HydrophobicContact CD1-CG 4.08Å; I542-L583 HydrophobicContact CB-CD2 4.26Å; I542-L583 HydrophobicContact CD1-CD1 4.33Å; I542-L583 HydrophobicContact CD1-CD2 3.79Å; I542-L583 HydrophobicContact CG1-CD2 3.66Å; I542-L583 HydrophobicContact CG2-CD2 3.77Å; L583-T585 WeakPolarHBondContact CD1-O 3.12Å; L583-T607 HydrophobicContact CD1-CG2 3.83Å
584N90.3Very high73.3Confident19 Ų1961.8 Ų61.810%0.10231%0.314CS..EExtended strand (participates in β ladder)trans-119.3-33.8177.9-164.861.9000113K532 G608 C644K532-N584 WeakPolarHBondContact CE-O 3.34Å; N584-G608 PolarHBondContact N-O 2.99Å; N584-C644 PolarHBondContact ND2-O 2.86Å
585T93.1Very high72.9Confident12 Ų1266.5 Ų66.57%0.07434%0.336CS..EExtended strand (participates in β ladder)trans-146.4161.8176.1-172.20000110.7I534 L583 G608 C644 S646 M647I534-T585 VanDerWaalsContact CD1-C 3.4Å; L583-T585 WeakPolarHBondContact CD1-O 3.12Å; T585-G608 PolarHBondContact N-O 2.94Å; T585-G608 VanDerWaalsContact N-O 3.09Å; T585-G608 PolarHBondContact O-N 2.79Å; T585-C644 HydrophobicContact CG2-CB 4.21Å; T585-C644 WeakPolarHBondContact CG2-O 3.31Å; T585-S646 WeakPolarHBondContact OG1-CA 3.39Å; T585-M647 HydrophobicContact CG2-CE 4.09Å; T585-M647 HydrophobicContact CG2-CG 3.88Å; T585-M647 HydrophobicContact CG2-SD 4.14Å; T585-M647 PolarHBondContact OG1-N 2.97Å
586A93.1Very high73.1Confident9 Ų966 Ų667%0.07433%0.333CS..EExtended strand (participates in β ladder)trans-145.7155.8174.100000109.8I534 I536 I542 L605 V606 T607I534-A586 HydrophobicContact CD1-CB 4.08Å; I534-A586 HydrophobicContact CG2-CB 4.2Å; I536-A586 HydrophobicContact CG2-CB 3.81Å; I542-A586 HydrophobicContact CG2-CB 3.96Å; A586-L605 HydrophobicContact CB-CD1 4.47Å; A586-V606 CarbonylContact C-O 3.55Å; A586-V606 WeakPolarHBondContact CA-O 3.43Å; A586-T607 HydrophobicContact CB-CG2 4.38Å
587S91.6Very high73.4Confident3 Ų369.1 Ų69.12%0.02135%0.345CS..PPolyproline II helixtrans-82.9164.6173.372.90000111.3L605 V606S587-L605 WeakPolarHBondContact O-CD1 3.46Å; S587-V606 PolarHBondContact N-O 2.7Å; S587-V606 PolarHBondContact OG-N 2.9Å; S587-V606 PolarHBondContact OG-O 2.78Å
588E87Confident73.9Confident102 Ų10265.8 Ų65.848%0.47732%0.324SS..PPolyproline II helixtrans-61.5156157.9-162.6-170.6146.300109.8I590 K651E588-I590 WeakPolarHBondContact O-CG1 3.22Å; E588-K651 IonicContact OE1-NZ 3.57Å; E588-K651 PolarHBondContact OE1-NZ 2.88Å; E588-K651 IonicContact OE2-NZ 2.85Å
589L85.8Confident74.5Confident13 Ų1361.5 Ų61.57%0.06831%0.308CS..PPolyproline II helixtrans-67132.2172.3-65.3169.1000110.8I536 Y540 Q603 L605 F621I536-L589 HydrophobicContact CD1-CD1 4.28Å; I536-L589 HydrophobicContact CD1-CD2 4.14Å; I536-L589 HydrophobicContact CD1-CG 4.28Å; Y540-L589 HydrophobicContact CD2-CD1 3.94Å; L589-Q603 HydrophobicContact CD2-CB 4.46Å; L589-L605 HydrophobicContact CD2-CB 4.11Å; L589-L605 HydrophobicContact CD2-CD1 4.2Å; L589-F621 HydrophobicContact CD1-CE2 3.78Å; L589-F621 HydrophobicContact CD1-CZ 4.11Å; L589-F621 HydrophobicContact CD2-CE2 3.7Å; L589-F621 HydrophobicContact CD2-CZ 3.81Å; L589-F621 HydrophobicContact CG-CE2 4.37Å
590I85.6Confident74.7Confident1 Ų163 Ų631%0.00532%0.317CS..EExtended strand (participates in β ladder)trans-115.1124.1-175.3-46.6-178.6000108.7E588 Q603 I604 V649 C656 I673E588-I590 WeakPolarHBondContact O-CG1 3.22Å; I590-Q603 CarbonylContact O-C 3.6Å; I590-Q603 VanDerWaalsContact O-CA 3.27Å; I590-Q603 WeakPolarHBondContact O-CA 3.39Å; I590-I604 HydrophobicContact CB-CB 4.24Å; I590-I604 PolarHBondContact N-O 3.34Å; I590-I604 PolarHBondContact O-N 3.13Å; I590-V649 HydrophobicContact CD1-CB 4.39Å; I590-V649 HydrophobicContact CD1-CG1 3.74Å; I590-V649 HydrophobicContact CD1-CG2 3.66Å; I590-V649 HydrophobicContact CG1-CG1 4.04Å; I590-V649 HydrophobicContact CG1-CG2 4.06Å; I590-C656 HydrophobicContact CG2-CB 3.99Å; I590-I673 HydrophobicContact CD1-CD1 3.32Å; I590-I673 HydrophobicContact CD1-CG1 4.5Å
591P79.6Confident75.4Confident34 Ų3460.7 Ų60.722%0.22131%0.307CS..EExtended strand (participates in β ladder)trans-67.2143.5177.628-33.1000111.2E598P591-E598 HydrophobicContact CB-CG 4.5Å
592V76Confident75.9Confident9 Ų963.8 Ų63.86%0.05532%0.322CS..EExtended strand (participates in β ladder)trans-84.3120.1172.8177.60000109.1M599 E602 I604 S675V592-M599 PolarHBondContact O-N 3.19Å; V592-E602 HydrophobicContact CB-CB 4.41Å; V592-E602 HydrophobicContact CG2-CB 4.07Å; V592-E602 WeakPolarHBondContact CG2-O 3.39Å; V592-E602 PolarHBondContact N-O 3.47Å; V592-I604 HydrophobicContact CG2-CD1 3.97Å; V592-I604 HydrophobicContact CG2-CG1 3.77Å; V592-S675 WeakPolarHBondContact CG1-O 3.25Å
593H68.9Low76Confident56 Ų5664.4 Ų64.426%0.25933%0.326SS..EExtended strand (participates in β ladder)trans-96.6130.8171.6-62.1-82.6000110.6E598 S675H593-E598 WeakPolarHBondContact CE1-CG 3.26Å; H593-E598 IonicContact CE1-OE1 3.94Å; H593-E598 PolarHBondContact CE1-OE1 3.23Å; H593-E598 VanDerWaalsContact CE1-OE1 3.29Å; H593-E598 VanDerWaalsContact ND1-CG 3.3Å; H593-E598 WeakPolarHBondContact ND1-CG 3.4Å; H593-E598 IonicContact NE2-OE1 3.87Å; H593-S675 VanDerWaalsContact O-CB 3.31Å; H593-S675 WeakPolarHBondContact O-CB 3.24Å
594F56.2Low76Confident118 Ų11864.4 Ų64.452%0.51833%0.326SS..EExtended strand (participates in β ladder)trans-123.3121.3169.6-157.2-89.4000108.4N596 I597 M599F594-N596 VanDerWaalsContact C-N 3.27Å; F594-N596 PolarHBondContact O-N 2.76Å; F594-I597 PolarHBondContact N-O 3.17Å; F594-I597 PolarHBondContact O-N 2.75Å; F594-M599 HydrophobicContact CB-CE 3.97Å; F594-M599 HydrophobicContact CB-CG 4.32Å; F594-M599 HydrophobicContact CG-CE 4.32Å
595N55.5Low76.1Confident137 Ų13763.5 Ų63.573%0.73332%0.321SS*.THydrogen-bonded Turntrans49.842.8-175.4-65.7-16.9000114.1I597N595-I597 PolarHBondContact O-N 2.89Å
596N59Low76.1Confident142 Ų14262.9 Ų62.976%0.75932%0.318SS*.THydrogen-bonded Turntrans61.815.1-175.6-60.8-15.7000115.5F594F594-N596 VanDerWaalsContact C-N 3.27Å; F594-N596 PolarHBondContact O-N 2.76Å
597I58Low76.1Confident120 Ų12062.7 Ų62.762%0.61532%0.316SS*.EExtended strand (participates in β ladder)trans-106.9125.5172.2-57.2172.6000107.6F594 N595 M599F594-I597 PolarHBondContact N-O 3.17Å; F594-I597 PolarHBondContact O-N 2.75Å; N595-I597 PolarHBondContact O-N 2.89Å; I597-M599 PolarHBondContact O-N 2.88Å
598E60.7Low76.1Confident110 Ų11062.5 Ų62.551%0.51432%0.315SS..EExtended strand (participates in β ladder)trans-65121171.6-78.3-178.1174.400109.6P591 H593 N600P591-E598 HydrophobicContact CB-CG 4.5Å; H593-E598 WeakPolarHBondContact CE1-CG 3.26Å; H593-E598 IonicContact CE1-OE1 3.94Å; H593-E598 PolarHBondContact CE1-OE1 3.23Å; H593-E598 VanDerWaalsContact CE1-OE1 3.29Å; H593-E598 VanDerWaalsContact ND1-CG 3.3Å; H593-E598 WeakPolarHBondContact ND1-CG 3.4Å; H593-E598 IonicContact NE2-OE1 3.87Å; E598-N600 PolarHBondContact O-N 3.27Å
599M62.3Low76.2Confident98 Ų9858.1 Ų58.148%0.48330%0.295SS..EExtended strand (participates in β ladder)trans-78.1109.2165.6-69.8-77.7-160.500107.1V592 F594 I597 D601V592-M599 PolarHBondContact O-N 3.19Å; F594-M599 HydrophobicContact CB-CE 3.97Å; F594-M599 HydrophobicContact CB-CG 4.32Å; F594-M599 HydrophobicContact CG-CE 4.32Å; I597-M599 PolarHBondContact O-N 2.88Å; M599-D601 PolarHBondContact O-N 3.48Å
600N61.7Low76.4Confident136 Ų13661.2 Ų61.273%0.72731%0.305SS*.EExtended strand (participates in β ladder)trans-61.4-17.3-174.7-79.9-13.7000114.5E598E598-N600 PolarHBondContact O-N 3.27Å
601D73.7Confident76.4Confident84 Ų8462.3 Ų62.345%0.44931%0.311SS..EExtended strand (participates in β ladder)trans-104.8-22.7-163.5-58.9-3000113.3M599 N620 L622M599-D601 PolarHBondContact O-N 3.48Å; D601-N620 VanDerWaalsContact O-CA 3.31Å; D601-N620 WeakPolarHBondContact O-CA 3.43Å; D601-N620 WeakPolarHBondContact O-CB 3.43Å; D601-N620 PolarHBondContact O-ND2 2.53Å; D601-N620 PolarHBondContact O-OD1 2.82Å; D601-L622 HydrophobicContact CB-CD1 3.81Å; D601-L622 WeakPolarHBondContact OD1-CD1 3.38Å
602E81.4Confident76.7Confident90 Ų9060.7 Ų60.742%0.42130%0.301SS..EExtended strand (participates in β ladder)trans-113.5131-177-67.9-168.2161.200111.9V592 V618V592-E602 HydrophobicContact CB-CB 4.41Å; V592-E602 HydrophobicContact CG2-CB 4.07Å; V592-E602 WeakPolarHBondContact CG2-O 3.39Å; V592-E602 PolarHBondContact N-O 3.47Å; E602-V618 HydrophobicContact CB-CG1 4.05Å; E602-V618 HydrophobicContact CG-CG1 4.29Å
603Q87.6Confident77.3Confident56 Ų5660.3 Ų60.326%0.26230%0.298SS..EExtended strand (participates in β ladder)trans-128.7142.3178.9-63.8-176.1-12.500110.7L589 I590 V619 F621L589-Q603 HydrophobicContact CD2-CB 4.46Å; I590-Q603 CarbonylContact O-C 3.6Å; I590-Q603 VanDerWaalsContact O-CA 3.27Å; I590-Q603 WeakPolarHBondContact O-CA 3.39Å; Q603-V619 PolarHBondContact N-O 3.24Å; Q603-V619 PolarHBondContact O-N 3.11Å; Q603-F621 HydrophobicContact CB-CE2 4.38Å
604I89.5Confident78.3Confident3 Ų357.6 Ų57.62%0.01529%0.286CS..EExtended strand (participates in β ladder)trans-90.2128.1174.7-61.3160.2000108.7I590 V592 V606 Y617 V618 I673I590-I604 HydrophobicContact CB-CB 4.24Å; I590-I604 PolarHBondContact N-O 3.34Å; I590-I604 PolarHBondContact O-N 3.13Å; V592-I604 HydrophobicContact CG2-CD1 3.97Å; V592-I604 HydrophobicContact CG2-CG1 3.77Å; I604-V606 HydrophobicContact CG2-CG2 4.18Å; I604-Y617 CarbonylContact C-O 3.03Å; I604-Y617 WeakPolarHBondContact CA-O 3.35Å; I604-V618 HydrophobicContact CG1-CG2 4.26Å; I604-I673 HydrophobicContact CD1-CG2 3.89Å; I604-I673 HydrophobicContact CG2-CG2 4.41Å
605L91.5Very high79.9Confident0 Ų052.1 Ų52.10%026%0.262CS..EExtended strand (participates in β ladder)trans-119.6124.8172.517663.4000109.2I536 I542 I552 L571 A586 S587 L589 T607 S616 Y617 V619I536-L605 HydrophobicContact CB-CD1 4.45Å; I536-L605 HydrophobicContact CD1-CD2 4.4Å; I536-L605 HydrophobicContact CG2-CD1 3.96Å; I542-L605 HydrophobicContact CD1-CD2 4.25Å; I552-L605 HydrophobicContact CD1-CD2 3.76Å; L571-L605 HydrophobicContact CD1-CD2 3.78Å; A586-L605 HydrophobicContact CB-CD1 4.47Å; S587-L605 WeakPolarHBondContact O-CD1 3.46Å; L589-L605 HydrophobicContact CD2-CB 4.11Å; L589-L605 HydrophobicContact CD2-CD1 4.2Å; L605-T607 HydrophobicContact CD2-CG2 4.41Å; L605-T607 HydrophobicContact CG-CG2 4.21Å; L605-S616 WeakPolarHBondContact O-CA 3.24Å; L605-Y617 PolarHBondContact N-O 3.04Å; L605-Y617 PolarHBondContact O-N 2.84Å; L605-V619 HydrophobicContact CB-CG2 4.44Å
606V92.4Very high81.6Confident0 Ų045.6 Ų45.60%023%0.227CC..EExtended strand (participates in β ladder)trans-107.9134.1175.4-171.40000109.5A586 S587 I604 I614 Y615 M647 L658 L679A586-V606 CarbonylContact C-O 3.55Å; A586-V606 WeakPolarHBondContact CA-O 3.43Å; S587-V606 PolarHBondContact N-O 2.7Å; S587-V606 PolarHBondContact OG-N 2.9Å; S587-V606 PolarHBondContact OG-O 2.78Å; I604-V606 HydrophobicContact CG2-CG2 4.18Å; V606-I614 HydrophobicContact CG1-CG2 3.45Å; V606-I614 VanDerWaalsContact CG1-CG2 3.45Å; V606-Y615 CarbonylContact C-O 3.59Å; V606-Y615 WeakPolarHBondContact CA-O 3.45Å; V606-M647 HydrophobicContact CB-SD 4.27Å; V606-M647 HydrophobicContact CG1-CE 4.1Å; V606-M647 HydrophobicContact CG1-SD 3.83Å; V606-L658 HydrophobicContact CB-CD2 4.18Å; V606-L658 HydrophobicContact CG1-CD2 3.79Å; V606-L658 HydrophobicContact CG2-CD2 4.25Å; V606-L679 HydrophobicContact CG1-CD1 3.91Å; V606-L679 HydrophobicContact CG2-CD1 4.31Å; V606-L679 HydrophobicContact CG2-CD2 4.34Å
607T93.2Very high83.1Confident4 Ų439.2 Ų39.23%0.02519%0.192CC..EExtended strand (participates in β ladder)trans-124.5145.5-178.864.70000110.8I542 L571 L583 A586 L605 I614 Y615 Y617I542-T607 HydrophobicContact CD1-CG2 4.09Å; L571-T607 HydrophobicContact CD1-CG2 4.26Å; L583-T607 HydrophobicContact CD1-CG2 3.83Å; A586-T607 HydrophobicContact CB-CG2 4.38Å; L605-T607 HydrophobicContact CD2-CG2 4.41Å; L605-T607 HydrophobicContact CG-CG2 4.21Å; T607-I614 CarbonylContact O-C 3.07Å; T607-I614 WeakPolarHBondContact O-CA 3.49Å; T607-Y615 PolarHBondContact N-O 2.95Å; T607-Y615 PolarHBondContact O-N 2.84Å; T607-Y615 PolarHBondContact OG1-O 2.93Å; T607-Y617 HydrophobicContact CG2-CD2 4.41Å; T607-Y617 HydrophobicContact CG2-CE2 4.19Å; T607-Y617 WeakPolarHBondContact OG1-CE2 3.44Å
608G91.6Very high84.5Confident0 Ų034.8 Ų34.80%017%0.171CC..EExtended strand (participates in β ladder)trans-115.9138.717600000110.7N584 T585 G613 M647N584-G608 PolarHBondContact N-O 2.99Å; T585-G608 PolarHBondContact N-O 2.94Å; T585-G608 VanDerWaalsContact N-O 3.09Å; T585-G608 PolarHBondContact O-N 2.79Å; G608-G613 WeakPolarHBondContact CA-O 3.47Å; G608-M647 VanDerWaalsContact CA-CE 3.45Å
609T90.6Very high85.7Confident10 Ų1029.5 Ų29.56%0.06115%0.146CC..EExtended strand (participates in β ladder)trans-110.3160.9-173.747.10000111.9W582 D611 G612 G613 Y615 C644W582-T609 WeakPolarHBondContact O-CA 3.36Å; T609-D611 VanDerWaalsContact C-N 3.28Å; T609-D611 WeakPolarHBondContact CB-OD1 3.13Å; T609-D611 PolarHBondContact O-N 2.85Å; T609-D611 PolarHBondContact OG1-OD1 3.29Å; T609-G612 PolarHBondContact O-N 3.17Å; T609-G613 PolarHBondContact N-O 2.7Å; T609-G613 VanDerWaalsContact OG1-C 3.31Å; T609-G613 WeakPolarHBondContact OG1-CA 3.3Å; T609-G613 PolarHBondContact OG1-N 2.88Å; T609-G613 PolarHBondContact OG1-O 2.8Å; T609-Y615 HydrophobicContact CG2-CD2 3.83Å; T609-Y615 HydrophobicContact CG2-CE2 3.56Å; T609-C644 PolarHBondContact O-N 3.41Å; T609-C644 VanDerWaalsContact O-N 3.08Å
610R89Confident86.8Confident77 Ų7726.3 Ų26.329%0.29113%0.131SC..THydrogen-bonded Turntrans-66.1-25.1-178.5-175.359.6179.9175.63.9114W582 G612 G643W582-R610 HydrophobicContact CD2-CB 4.43Å; W582-R610 HydrophobicContact CG-CB 4.4Å; W582-R610 HydrophobicContact CZ2-CB 4.5Å; W582-R610 HydrophobicContact CZ2-CG 3.94Å; W582-R610 PolarHBondContact O-N 2.6Å; R610-G612 PolarHBondContact O-N 2.89Å; R610-G643 WeakPolarHBondContact O-CA 3.46Å; R610-G643 PolarHBondContact O-N 2.8Å
611D85.8Confident87.5Confident25 Ų2521.7 Ų21.713%0.13411%0.105CC..THydrogen-bonded Turntrans-83.25172.973.2-25000113.1K581 T609 G613 Q640K581-D611 WeakPolarHBondContact CE-OD2 3.32Å; K581-D611 HydrophobicContact CG-CB 4.43Å; K581-D611 WeakPolarHBondContact CG-OD2 3.44Å; T609-D611 VanDerWaalsContact C-N 3.28Å; T609-D611 WeakPolarHBondContact CB-OD1 3.13Å; T609-D611 PolarHBondContact O-N 2.85Å; T609-D611 PolarHBondContact OG1-OD1 3.29Å; D611-G613 PolarHBondContact OD1-N 2.9Å; D611-Q640 CarbonylContact C-O 3.59Å
612G86.4Confident87.3Confident0 Ų023.1 Ų23.10%011%0.112CC..SBendtrans91.21.5175.100000114.2T609 R610 S637 C638 H639 Q640T609-G612 PolarHBondContact O-N 3.17Å; R610-G612 PolarHBondContact O-N 2.89Å; G612-S637 CarbonylContact O-C 3.15Å; G612-C638 WeakPolarHBondContact O-CA 3.25Å; G612-C638 VanDerWaalsContact O-CB 3.27Å; G612-C638 WeakPolarHBondContact O-CB 3.38Å; G612-C638 PolarHBondContact O-N 3.49Å; G612-H639 PolarHBondContact O-N 3.06Å; G612-Q640 WeakPolarHBondContact CA-O 3.34Å
613G87.8Confident86.4Confident0 Ų022.1 Ų22.10%011%0.108CC..  trans-72.4150.5178.100000113.8G608 T609 D611 L635G608-G613 WeakPolarHBondContact CA-O 3.47Å; T609-G613 PolarHBondContact N-O 2.7Å; T609-G613 VanDerWaalsContact OG1-C 3.31Å; T609-G613 WeakPolarHBondContact OG1-CA 3.3Å; T609-G613 PolarHBondContact OG1-N 2.88Å; T609-G613 PolarHBondContact OG1-O 2.8Å; D611-G613 PolarHBondContact OD1-N 2.9Å; G613-L635 CarbonylContact C-O 3.51Å; G613-L635 WeakPolarHBondContact CA-O 3.46Å
614I90.5Very high85.1Confident0 Ų027.4 Ų27.40%013%0.133CC..EExtended strand (participates in β ladder)trans-115.4134.4171.5-60.6-179.2000108.3V606 T607 W633 F634 L635 C638 M647 W671 L679V606-I614 HydrophobicContact CG1-CG2 3.45Å; V606-I614 VanDerWaalsContact CG1-CG2 3.45Å; T607-I614 CarbonylContact O-C 3.07Å; T607-I614 WeakPolarHBondContact O-CA 3.49Å; I614-W633 HydrophobicContact CB-CZ3 4.22Å; I614-W633 HydrophobicContact CG2-CZ3 3.94Å; I614-F634 CarbonylContact O-C 3.5Å; I614-F634 VanDerWaalsContact O-CA 3.23Å; I614-F634 WeakPolarHBondContact O-CA 3.19Å; I614-L635 PolarHBondContact N-O 2.68Å; I614-L635 PolarHBondContact O-N 2.93Å; I614-C638 HydrophobicContact CD1-CB 4.06Å; I614-C638 VanDerWaalsContact CD1-SG 3.59Å; I614-C638 HydrophobicContact CG1-CB 3.95Å; I614-M647 HydrophobicContact CB-CE 4.28Å; I614-M647 HydrophobicContact CD1-CE 4.16Å; I614-M647 HydrophobicContact CG1-CE 3.78Å; I614-M647 HydrophobicContact CG2-CE 3.87Å; I614-W671 HydrophobicContact CD1-CZ2 3.86Å; I614-L679 HydrophobicContact CG2-CD1 3.84Å
615Y90.1Very high84Confident3 Ų333.2 Ų33.21%0.01216%0.164CC..EExtended strand (participates in β ladder)trans-133.5130.3-178.7-59.9-102.1000109.3V606 T607 T609 P631 F634V606-Y615 CarbonylContact C-O 3.59Å; V606-Y615 WeakPolarHBondContact CA-O 3.45Å; T607-Y615 PolarHBondContact N-O 2.95Å; T607-Y615 PolarHBondContact O-N 2.84Å; T607-Y615 PolarHBondContact OG1-O 2.93Å; T609-Y615 HydrophobicContact CG2-CD2 3.83Å; T609-Y615 HydrophobicContact CG2-CE2 3.56Å; Y615-P631 HydrophobicContact CD1-CB 4.16Å; Y615-P631 HydrophobicContact CD1-CG 4.1Å; Y615-F634 HydrophobicContact CD1-CB 3.28Å; Y615-F634 HydrophobicContact CD1-CG 4.05Å; Y615-F634 HydrophobicContact CE1-CB 3.68Å; Y615-F634 HydrophobicContact CE1-CD2 4.31Å; Y615-F634 HydrophobicContact CE1-CG 4.06Å; Y615-F634 HydrophobicContact CG-CB 3.94Å
616S90.8Very high82.9Confident0 Ų037.8 Ų37.80%019%0.192CC..EExtended strand (participates in β ladder)trans-110.8137.9179-175.20000110L605 P631 V632 W633 G677L605-S616 WeakPolarHBondContact O-CA 3.24Å; S616-P631 CarbonylContact O-C 3.51Å; S616-P631 VanDerWaalsContact O-CA 3.24Å; S616-P631 WeakPolarHBondContact O-CA 3.2Å; S616-V632 WeakPolarHBondContact O-CG2 3.17Å; S616-V632 PolarHBondContact O-N 3.26Å; S616-W633 PolarHBondContact N-O 2.97Å; S616-W633 PolarHBondContact O-N 2.98Å; S616-G677 WeakPolarHBondContact CB-O 3.21Å; S616-G677 PolarHBondContact OG-O 3.21Å
617Y90.1Very high82.1Confident7 Ų742.2 Ų42.23%0.02721%0.212CC..EExtended strand (participates in β ladder)trans-130.2138.2-177.3-58.8-98.4000108.8L571 K572 I604 L605 T607 P631L571-Y617 HydrophobicContact CB-CD1 4.49Å; L571-Y617 HydrophobicContact CB-CE1 4.01Å; L571-Y617 HydrophobicContact CD1-CD2 4.21Å; L571-Y617 HydrophobicContact CD1-CE2 4.25Å; L571-Y617 HydrophobicContact CD1-CG 4.42Å; L571-Y617 HydrophobicContact CD2-CD1 3.95Å; L571-Y617 HydrophobicContact CD2-CE1 4.32Å; L571-Y617 HydrophobicContact CD2-CG 4.2Å; K572-Y617 PolarHBondContact O-OH 2.95Å; K572-Y617 VanDerWaalsContact O-OH 3.14Å; I604-Y617 CarbonylContact C-O 3.03Å; I604-Y617 WeakPolarHBondContact CA-O 3.35Å; L605-Y617 PolarHBondContact N-O 3.04Å; L605-Y617 PolarHBondContact O-N 2.84Å; T607-Y617 HydrophobicContact CG2-CD2 4.41Å; T607-Y617 HydrophobicContact CG2-CE2 4.19Å; T607-Y617 WeakPolarHBondContact OG1-CE2 3.44Å; Y617-P631 HydrophobicContact CD1-CB 4.25Å; Y617-P631 HydrophobicContact CE1-CB 3.84Å; Y617-P631 HydrophobicContact CE1-CG 4.29Å; Y617-P631 VanDerWaalsContact CE1-N 3.33Å; Y617-P631 HydrophobicContact CE2-CB 4.42Å
618V88Confident81.6Confident27 Ų2745.3 Ų45.316%0.16423%0.23CC..EExtended strand (participates in β ladder)trans-98.1112.8165179.40000106.7E602 I604 Y629 V632E602-V618 HydrophobicContact CB-CG1 4.05Å; E602-V618 HydrophobicContact CG-CG1 4.29Å; I604-V618 HydrophobicContact CG1-CG2 4.26Å; V618-Y629 WeakPolarHBondContact O-CD1 3.27Å; V618-Y629 VanDerWaalsContact O-CE1 3.28Å; V618-Y629 WeakPolarHBondContact O-CE1 3.37Å; V618-V632 HydrophobicContact CB-CG1 4.29Å; V618-V632 HydrophobicContact CG2-CG1 4.06Å; V618-V632 HydrophobicContact CG2-CG2 3.98Å
619V86.5Confident81.3Confident0 Ų046.4 Ų46.40%024%0.235CC..EExtended strand (participates in β ladder)trans-116.3140.2-172.5-1710000109.2T569 L571 Q603 L605 F621 Y629T569-V619 HydrophobicContact CG2-CG1 4.37Å; L571-V619 HydrophobicContact CD2-CG2 4.29Å; Q603-V619 PolarHBondContact N-O 3.24Å; Q603-V619 PolarHBondContact O-N 3.11Å; L605-V619 HydrophobicContact CB-CG2 4.44Å; V619-F621 HydrophobicContact CB-CE2 4.3Å; V619-F621 HydrophobicContact CB-CZ 4.15Å; V619-F621 HydrophobicContact CG1-CD1 4.18Å; V619-F621 HydrophobicContact CG1-CE1 3.73Å; V619-F621 HydrophobicContact CG1-CE2 4.12Å; V619-F621 HydrophobicContact CG1-CZ 3.7Å; V619-Y629 HydrophobicContact CG1-CD2 4.23Å; V619-Y629 HydrophobicContact CG1-CE1 4.39Å; V619-Y629 HydrophobicContact CG1-CE2 3.9Å; V619-Y629 HydrophobicContact CG2-CD1 4.47Å; V619-Y629 HydrophobicContact CG2-CG 4.46Å
620N84Confident81Confident31 Ų3150.1 Ų50.117%0.16626%0.261CS..  trans-120.4115.9174.6-178.5-30.4000108.2D601 L622 I623 Y629D601-N620 VanDerWaalsContact O-CA 3.31Å; D601-N620 WeakPolarHBondContact O-CA 3.43Å; D601-N620 WeakPolarHBondContact O-CB 3.43Å; D601-N620 PolarHBondContact O-ND2 2.53Å; D601-N620 PolarHBondContact O-OD1 2.82Å; N620-L622 WeakPolarHBondContact OD1-CB 3.35Å; N620-L622 PolarHBondContact OD1-N 2.75Å; N620-I623 HydrophobicContact CB-CD1 4.47Å; N620-Y629 PolarHBondContact N-OH 3.4Å; N620-Y629 VanDerWaalsContact N-OH 3.14Å; N620-Y629 PolarHBondContact O-OH 2.69Å
621F76.6Confident80.8Confident39 Ų3947.8 Ų47.817%0.17126%0.256CS..THydrogen-bonded Turntrans-89.4-4.6-174.2-64.4-73.6000114.2Y540 I552 L589 Q603 V619 I623Y540-F621 HydrophobicContact CD1-CD1 4.25Å; Y540-F621 HydrophobicContact CD1-CE1 4.22Å; Y540-F621 AromaticContact CE1-CD1 3.68Å; Y540-F621 HydrophobicContact CE1-CD1 3.68Å; Y540-F621 HydrophobicContact CE1-CE1 4.11Å; Y540-F621 HydrophobicContact CE1-CG 4.16Å; Y540-F621 HydrophobicContact CE2-CG 4.45Å; Y540-F621 AromaticContact CZ-CD1 3.93Å; Y540-F621 AromaticContact CZ-CG 3.91Å; Y540-F621 WeakPolarHBondContact OH-CB 3.11Å; I552-F621 HydrophobicContact CD1-CE1 4.12Å; I552-F621 HydrophobicContact CD1-CZ 4.32Å; I552-F621 HydrophobicContact CG2-CE1 4.08Å; L589-F621 HydrophobicContact CD1-CE2 3.78Å; L589-F621 HydrophobicContact CD1-CZ 4.11Å; L589-F621 HydrophobicContact CD2-CE2 3.7Å; L589-F621 HydrophobicContact CD2-CZ 3.81Å; L589-F621 HydrophobicContact CG-CE2 4.37Å; Q603-F621 HydrophobicContact CB-CE2 4.38Å; V619-F621 HydrophobicContact CB-CE2 4.3Å; V619-F621 HydrophobicContact CB-CZ 4.15Å; V619-F621 HydrophobicContact CG1-CD1 4.18Å; V619-F621 HydrophobicContact CG1-CE1 3.73Å; V619-F621 HydrophobicContact CG1-CE2 4.12Å; V619-F621 HydrophobicContact CG1-CZ 3.7Å; F621-I623 VanDerWaalsContact C-N 3.27Å; F621-I623 PolarHBondContact O-N 3.25Å
622L69Low80.8Confident114 Ų11450.4 Ų50.460%0.59727%0.272SS*.THydrogen-bonded Turntrans-79.4-9.3-179.9-67.8170.3000113.4D601 N620 E624D601-L622 HydrophobicContact CB-CD1 3.81Å; D601-L622 WeakPolarHBondContact OD1-CD1 3.38Å; N620-L622 WeakPolarHBondContact OD1-CB 3.35Å; N620-L622 PolarHBondContact OD1-N 2.75Å; L622-E624 PolarHBondContact O-N 2.73Å
623I63.7Low80.8Confident69 Ų6951 Ų5135%0.35428%0.275SS..  trans-83.2113.8-180-56.4174.4000108.2N620 F621 D625 K627N620-I623 HydrophobicContact CB-CD1 4.47Å; F621-I623 VanDerWaalsContact C-N 3.27Å; F621-I623 PolarHBondContact O-N 3.25Å; I623-D625 HydrophobicContact CG2-CB 4.38Å; I623-D625 PolarHBondContact O-N 3.23Å; I623-D625 VanDerWaalsContact O-N 3.13Å; I623-K627 HydrophobicContact CD1-CD 3.85Å
624E60.8Low80.7Confident167 Ų16754.4 Ų54.478%0.7829%0.29SS*.  trans-71.91.6-176.4-65.1-172.6162.500114.6I567 L622I567-E624 VanDerWaalsContact CD1-O 3.22Å; I567-E624 WeakPolarHBondContact CD1-O 3.48Å; L622-E624 PolarHBondContact O-N 2.73Å
625D65.4Low80.2Confident124 Ų12455 Ų5566%0.66329%0.293SS*.SBendtrans-103.9149.4179.5-75-32.4000112.4I623 K627I623-D625 HydrophobicContact CG2-CB 4.38Å; I623-D625 PolarHBondContact O-N 3.23Å; I623-D625 VanDerWaalsContact O-N 3.13Å; D625-K627 PolarHBondContact O-N 3.09Å
626T68.9Low79.9Confident96 Ų9659.7 Ų59.759%0.58931%0.313SS*.  trans-60.898.4171.353.10000110.2I567 F568I567-T626 HydrophobicContact CG2-CG2 3.88Å; F568-T626 WeakPolarHBondContact O-CG2 3.31Å
627K75.8Confident79.4Confident94 Ų9462.9 Ų62.941%0.40934%0.335SS..  trans-101.9146179.1-163.5170.1177.6-176.90110.7I570 I623 D625 Y629I570-K627 PolarHBondContact N-O 3.24Å; I570-K627 VanDerWaalsContact N-O 3.11Å; I623-K627 HydrophobicContact CD1-CD 3.85Å; D625-K627 PolarHBondContact O-N 3.09Å; K627-Y629 HydrophobicContact CB-CE2 3.91Å; K627-Y629 HydrophobicContact CD-CE2 4.06Å; K627-Y629 HydrophobicContact CG-CE2 4Å
628V81.9Confident79.1Confident69 Ų6962.5 Ų62.542%0.41833%0.334SS..EExtended strand (participates in β ladder)trans-103.3121.7176.8-175.80000108.8I570 K572I570-V628 HydrophobicContact CB-CG2 4.26Å; I570-V628 CarbonylContact O-C 3.47Å; I570-V628 WeakPolarHBondContact O-CA 3.32Å; K572-V628 HydrophobicContact CB-CG1 4.34Å; K572-V628 HydrophobicContact CD-CG1 3.56Å; K572-V628 HydrophobicContact CG-CG1 3.58Å
629Y85.7Confident78.9Confident23 Ų2361.2 Ų61.29%0.0933%0.326CS..EExtended strand (participates in β ladder)trans-104.6133.4176.9-70.6-96000110.8T569 I570 K572 V618 V619 N620 K627T569-Y629 HydrophobicContact CG2-CD2 3.42Å; T569-Y629 VanDerWaalsContact CG2-CD2 3.42Å; T569-Y629 HydrophobicContact CG2-CE2 3.57Å; I570-Y629 PolarHBondContact O-N 2.8Å; K572-Y629 PolarHBondContact N-O 3.41Å; V618-Y629 WeakPolarHBondContact O-CD1 3.27Å; V618-Y629 VanDerWaalsContact O-CE1 3.28Å; V618-Y629 WeakPolarHBondContact O-CE1 3.37Å; V619-Y629 HydrophobicContact CG1-CD2 4.23Å; V619-Y629 HydrophobicContact CG1-CE1 4.39Å; V619-Y629 HydrophobicContact CG1-CE2 3.9Å; V619-Y629 HydrophobicContact CG2-CD1 4.47Å; V619-Y629 HydrophobicContact CG2-CG 4.46Å; N620-Y629 PolarHBondContact N-OH 3.4Å; N620-Y629 VanDerWaalsContact N-OH 3.14Å; N620-Y629 PolarHBondContact O-OH 2.69Å; K627-Y629 HydrophobicContact CB-CE2 3.91Å; K627-Y629 HydrophobicContact CD-CE2 4.06Å; K627-Y629 HydrophobicContact CG-CE2 4Å
630S83.9Confident78.6Confident87 Ų8765.9 Ų65.961%0.60835%0.348SS*.  trans-96.6150.8167.6530000110.1V632S630-V632 PolarHBondContact O-N 3.14Å
631P85.5Confident78.4Confident29 Ų2969.5 Ų69.519%0.18838%0.376CS..  trans-63.8132.6178.426.8-34.1000110.9Y615 S616 Y617 W633 F634Y615-P631 HydrophobicContact CD1-CB 4.16Å; Y615-P631 HydrophobicContact CD1-CG 4.1Å; S616-P631 CarbonylContact O-C 3.51Å; S616-P631 VanDerWaalsContact O-CA 3.24Å; S616-P631 WeakPolarHBondContact O-CA 3.2Å; Y617-P631 HydrophobicContact CD1-CB 4.25Å; Y617-P631 HydrophobicContact CE1-CB 3.84Å; Y617-P631 HydrophobicContact CE1-CG 4.29Å; Y617-P631 VanDerWaalsContact CE1-N 3.33Å; Y617-P631 HydrophobicContact CE2-CB 4.42Å; P631-W633 VanDerWaalsContact C-N 3.34Å; P631-F634 HydrophobicContact CB-CB 4.48Å; P631-F634 HydrophobicContact CB-CD1 4.44Å; P631-F634 HydrophobicContact CG-CD1 4.12Å
632V86Confident78.4Confident80 Ų8068 Ų6849%0.48537%0.372SS..SBendtrans-76.7-27.2172.4-65.60000111.5S616 V618 S630S616-V632 WeakPolarHBondContact O-CG2 3.17Å; S616-V632 PolarHBondContact O-N 3.26Å; V618-V632 HydrophobicContact CB-CG1 4.29Å; V618-V632 HydrophobicContact CG2-CG1 4.06Å; V618-V632 HydrophobicContact CG2-CG2 3.98Å; S630-V632 PolarHBondContact O-N 3.14Å
633W85.7Confident79.3Confident12 Ų1262.6 Ų62.65%0.04534%0.343CS..EExtended strand (participates in β ladder)trans-146.6142.9177.9-178.7102.1000108.9I614 S616 P631 L635 W671 L679 T1062I614-W633 HydrophobicContact CB-CZ3 4.22Å; I614-W633 HydrophobicContact CG2-CZ3 3.94Å; S616-W633 PolarHBondContact N-O 2.97Å; S616-W633 PolarHBondContact O-N 2.98Å; P631-W633 VanDerWaalsContact C-N 3.34Å; W633-L635 HydrophobicContact CH2-CB 3.4Å; W633-L635 VanDerWaalsContact CH2-CB 3.4Å; W633-L635 HydrophobicContact CH2-CD2 4.24Å; W633-L635 HydrophobicContact CH2-CG 4.47Å; W633-L635 HydrophobicContact CZ2-CB 4.05Å; W633-L635 HydrophobicContact CZ3-CB 3.86Å; W633-W671 HydrophobicContact CH2-CH2 4.37Å; W633-W671 AromaticContact CH2-CZ3 3.96Å; W633-W671 HydrophobicContact CH2-CZ3 3.96Å; W633-W671 HydrophobicContact CZ2-CZ3 4.25Å; W633-L679 HydrophobicContact CD2-CB 4.16Å; W633-L679 HydrophobicContact CD2-CG 4.31Å; W633-L679 HydrophobicContact CE3-CB 4.12Å; W633-L679 HydrophobicContact CE3-CD1 3.9Å; W633-L679 HydrophobicContact CE3-CG 3.96Å; W633-L679 HydrophobicContact CH2-CB 3.88Å; W633-L679 HydrophobicContact CH2-CD1 4.19Å; W633-L679 HydrophobicContact CH2-CG 4.44Å; W633-L679 HydrophobicContact CZ2-CB 3.91Å; W633-L679 WeakPolarHBondContact CZ2-O 3.12Å; W633-L679 HydrophobicContact CZ3-CB 4.01Å; W633-L679 HydrophobicContact CZ3-CD1 3.63Å; W633-L679 HydrophobicContact CZ3-CG 4.06Å; W633-T1062 HydrophobicContact CD2-CG2 4.39Å; W633-T1062 HydrophobicContact CG-CG2 3.99Å
634F85.1Confident80.6Confident72 Ų7259.3 Ų59.332%0.31633%0.326SS..EExtended strand (participates in β ladder)trans-152.8149.9173.363.5-91.4000111.7I614 Y615 P631 K636 T1062I614-F634 CarbonylContact O-C 3.5Å; I614-F634 VanDerWaalsContact O-CA 3.23Å; I614-F634 WeakPolarHBondContact O-CA 3.19Å; Y615-F634 HydrophobicContact CD1-CB 3.28Å; Y615-F634 HydrophobicContact CD1-CG 4.05Å; Y615-F634 HydrophobicContact CE1-CB 3.68Å; Y615-F634 HydrophobicContact CE1-CD2 4.31Å; Y615-F634 HydrophobicContact CE1-CG 4.06Å; Y615-F634 HydrophobicContact CG-CB 3.94Å; P631-F634 HydrophobicContact CB-CB 4.48Å; P631-F634 HydrophobicContact CB-CD1 4.44Å; P631-F634 HydrophobicContact CG-CD1 4.12Å; F634-K636 HydrophobicContact CD2-CG 4.12Å; F634-K636 HydrophobicContact CE2-CD 4.41Å; F634-K636 HydrophobicContact CE2-CG 4.32Å; F634-T1062 VanDerWaalsContact O-CB 3.31Å; F634-T1062 WeakPolarHBondContact O-CB 3.31Å; F634-T1062 WeakPolarHBondContact O-CG2 3.14Å
635L81.6Confident82.1Confident13 Ų1352 Ų527%0.06829%0.293CS..EExtended strand (participates in β ladder)trans-130110.9171.6176.865.6000109.1G613 I614 W633 C638 W671 T1062 Y1064G613-L635 CarbonylContact C-O 3.51Å; G613-L635 WeakPolarHBondContact CA-O 3.46Å; I614-L635 PolarHBondContact N-O 2.68Å; I614-L635 PolarHBondContact O-N 2.93Å; W633-L635 HydrophobicContact CH2-CB 3.4Å; W633-L635 VanDerWaalsContact CH2-CB 3.4Å; W633-L635 HydrophobicContact CH2-CD2 4.24Å; W633-L635 HydrophobicContact CH2-CG 4.47Å; W633-L635 HydrophobicContact CZ2-CB 4.05Å; W633-L635 HydrophobicContact CZ3-CB 3.86Å; L635-C638 HydrophobicContact CD2-CB 3.75Å; L635-C638 HydrophobicContact CG-CB 3.95Å; L635-W671 HydrophobicContact CD2-CH2 3.61Å; L635-W671 HydrophobicContact CD2-CZ3 4.31Å; L635-T1062 WeakPolarHBondContact CD1-O 3.24Å; L635-Y1064 HydrophobicContact CD1-CD2 3.94Å; L635-Y1064 HydrophobicContact CD1-CE2 4.23Å; L635-Y1064 HydrophobicContact CD2-CD2 4.08Å; L635-Y1064 HydrophobicContact CD2-CE2 3.76Å; L635-Y1064 HydrophobicContact CG-CE2 4.33Å
636K82.8Confident83.4Confident101 Ų10146.5 Ų46.544%0.43926%0.264SS..THydrogen-bonded Turntrans-71.8142.5179.1-66.1174.9-177.4167.50110.4F634 C638F634-K636 HydrophobicContact CD2-CG 4.12Å; F634-K636 HydrophobicContact CE2-CD 4.41Å; F634-K636 HydrophobicContact CE2-CG 4.32Å; K636-C638 PolarHBondContact O-N 3.22Å; K636-C638 VanDerWaalsContact O-N 3.11Å
637S79.8Confident84.6Confident66 Ų6642.6 Ų42.646%0.46224%0.24SC..THydrogen-bonded Turntrans54.528.7175.5-500000115.2G612 H639 Q640G612-S637 CarbonylContact O-C 3.15Å; S637-H639 VanDerWaalsContact C-N 3.29Å; S637-H639 PolarHBondContact O-N 3.47Å; S637-Q640 PolarHBondContact O-N 3.44Å
638C84.1Confident85.3Confident0 Ų039.3 Ų39.30%023%0.226CC..THydrogen-bonded Turntrans-51.1-47178.5-179.40000112.5G612 I614 L635 K636 K669 W671 Y1064G612-C638 WeakPolarHBondContact O-CA 3.25Å; G612-C638 VanDerWaalsContact O-CB 3.27Å; G612-C638 WeakPolarHBondContact O-CB 3.38Å; G612-C638 PolarHBondContact O-N 3.49Å; I614-C638 HydrophobicContact CD1-CB 4.06Å; I614-C638 VanDerWaalsContact CD1-SG 3.59Å; I614-C638 HydrophobicContact CG1-CB 3.95Å; L635-C638 HydrophobicContact CD2-CB 3.75Å; L635-C638 HydrophobicContact CG-CB 3.95Å; K636-C638 PolarHBondContact O-N 3.22Å; K636-C638 VanDerWaalsContact O-N 3.11Å; C638-K669 PolarHBondContact O-NZ 3.46Å; C638-K669 WeakPolarHBondContact SG-CD 3.41Å; C638-K669 VanDerWaalsContact SG-CE 3.58Å; C638-W671 WeakPolarHBondContact SG-CZ2 3.48Å; C638-Y1064 PolarHBondContact O-OH 2.93Å
639H84.7Confident85.6Confident0 Ų036.6 Ų36.60%021%0.21CC..THydrogen-bonded Turntrans-103.225.7176.5-69.3-70.1000113G612 S637 C644 S660 C661 T664 D667G612-H639 PolarHBondContact O-N 3.06Å; S637-H639 VanDerWaalsContact C-N 3.29Å; S637-H639 PolarHBondContact O-N 3.47Å; H639-C644 HydrophobicContact CB-CB 4.44Å; H639-C644 VanDerWaalsContact CD2-SG 3.55Å; H639-S660 PolarHBondContact CE1-O 3.34Å; H639-S660 VanDerWaalsContact CE1-O 3.27Å; H639-S660 WeakPolarHBondContact NE2-CB 3.5Å; H639-S660 PolarHBondContact NE2-OG 2.93Å; H639-C661 VanDerWaalsContact CE1-CA 3.48Å; H639-C661 WeakPolarHBondContact CE1-CA 3.45Å; H639-T664 PolarHBondContact O-OG1 2.81Å; H639-D667 IonicContact ND1-OD1 2.98Å; H639-D667 IonicContact ND1-OD2 3.15Å
640Q80.4Confident85.5Confident97 Ų9736.5 Ų36.545%0.45321%0.211SC..G310 helixtrans51-160.2177.9-53.2-174.79.600114.1D611 G612 S637 G642 G643 T664D611-Q640 CarbonylContact C-O 3.59Å; G612-Q640 WeakPolarHBondContact CA-O 3.34Å; S637-Q640 PolarHBondContact O-N 3.44Å; Q640-G642 PolarHBondContact O-N 2.92Å; Q640-G643 PolarHBondContact O-N 3.36Å; Q640-T664 HydrophobicContact CB-CG2 4.47Å
641S79.1Confident85.1Confident108 Ų10837.2 Ų37.276%0.75520%0.203SC*.G310 helixtrans-65.7-8.3-177.157.80000114.6G643S641-G643 VanDerWaalsContact C-N 3.29Å
642G77.3Confident84.2Confident8 Ų837.9 Ų37.98%0.08222%0.215CC..G310 helixtrans-71.9-20.8175.200000114.1Q640 R663Q640-G642 PolarHBondContact O-N 2.92Å; G642-R663 WeakPolarHBondContact O-CB 3.48Å; G642-R663 WeakPolarHBondContact O-CD 3.19Å; G642-R663 WeakPolarHBondContact O-CG 3.22Å
643G87.3Confident82.9Confident0 Ų041 Ų410%022%0.224CC..  trans78.8153-172.800000112.9R610 Q640 S641 G662 R663R610-G643 WeakPolarHBondContact O-CA 3.46Å; R610-G643 PolarHBondContact O-N 2.8Å; Q640-G643 PolarHBondContact O-N 3.36Å; S641-G643 VanDerWaalsContact C-N 3.29Å; G643-G662 WeakPolarHBondContact O-CA 3.34Å; G643-R663 PolarHBondContact O-N 3.23Å
644C91.5Very high81.7Confident0 Ų043.7 Ų43.70%025%0.245CC..EExtended strand (participates in β ladder)trans-83.1116.2172.5-173.80000109.1N584 T585 T609 H639 M647 C661N584-C644 PolarHBondContact ND2-O 2.86Å; T585-C644 HydrophobicContact CG2-CB 4.21Å; T585-C644 WeakPolarHBondContact CG2-O 3.31Å; T609-C644 PolarHBondContact O-N 3.41Å; T609-C644 VanDerWaalsContact O-N 3.08Å; H639-C644 HydrophobicContact CB-CB 4.44Å; H639-C644 VanDerWaalsContact CD2-SG 3.55Å; C644-M647 VanDerWaalsContact SG-CE 3.55Å; C644-C661 CarbonylContact C-O 3.48Å; C644-C661 WeakPolarHBondContact CA-O 3.26Å; C644-C661 PolarHBondContact SG-O 3.03Å; C644-C661 VanDerWaalsContact SG-O 3.34Å
645T91.9Very high80.9Confident12 Ų1244.3 Ų44.37%0.07425%0.252CS..EExtended strand (participates in β ladder)trans-94.1-34.7-168.545.50000113.4C661 G662 R663 I694 E695T645-C661 PolarHBondContact N-O 2.85Å; T645-C661 PolarHBondContact OG1-O 3.36Å; T645-C661 PolarHBondContact OG1-SG 3.11Å; T645-G662 WeakPolarHBondContact OG1-CA 3.29Å; T645-R663 HydrophobicContact CG2-CG 3.41Å; T645-R663 VanDerWaalsContact CG2-CG 3.41Å; T645-I694 WeakPolarHBondContact CB-O 3.22Å; T645-I694 PolarHBondContact OG1-O 2.86Å; T645-E695 WeakPolarHBondContact CG2-OE2 3.24Å
646S92.6Very high80.8Confident10 Ų1044.4 Ų44.47%0.0725%0.253CS..EExtended strand (participates in β ladder)trans-149.3151.4-179.1-161.10000111.6T585 S660 C661 L697T585-S646 WeakPolarHBondContact OG1-CA 3.39Å; S646-S660 WeakPolarHBondContact O-CA 2.76Å; S646-C661 VanDerWaalsContact CB-SG 3.55Å; S646-C661 PolarHBondContact O-N 2.93Å; S646-C661 VanDerWaalsContact O-N 3.08Å; S646-L697 PolarHBondContact OG-N 3.22Å
647M93Very high80.9Confident14 Ų1440.9 Ų40.97%0.06924%0.238CC..EExtended strand (participates in β ladder)trans-130.9142.4169.7-72.6177.9-179.200109.6T585 V606 G608 I614 C644 L658 L659T585-M647 HydrophobicContact CG2-CE 4.09Å; T585-M647 HydrophobicContact CG2-CG 3.88Å; T585-M647 HydrophobicContact CG2-SD 4.14Å; T585-M647 PolarHBondContact OG1-N 2.97Å; V606-M647 HydrophobicContact CB-SD 4.27Å; V606-M647 HydrophobicContact CG1-CE 4.1Å; V606-M647 HydrophobicContact CG1-SD 3.83Å; G608-M647 VanDerWaalsContact CA-CE 3.45Å; I614-M647 HydrophobicContact CB-CE 4.28Å; I614-M647 HydrophobicContact CD1-CE 4.16Å; I614-M647 HydrophobicContact CG1-CE 3.78Å; I614-M647 HydrophobicContact CG2-CE 3.87Å; C644-M647 VanDerWaalsContact SG-CE 3.55Å; M647-L658 HydrophobicContact CB-CD1 4.19Å; M647-L659 CarbonylContact C-O 3.54Å; M647-L659 VanDerWaalsContact CA-O 3.24Å; M647-L659 WeakPolarHBondContact CA-O 3.47Å
648L90.6Very high81.3Confident24 Ų2437.7 Ų37.713%0.12622%0.216CC..EExtended strand (participates in β ladder)trans-136122.5176.7178.768.1000109.2L659 L697 L699 I705L648-L659 HydrophobicContact CB-CB 4.36Å; L648-L659 HydrophobicContact CD2-CD1 4.46Å; L648-L659 PolarHBondContact N-O 2.94Å; L648-L659 PolarHBondContact O-N 3.38Å; L648-L697 HydrophobicContact CB-CB 4Å; L648-L697 HydrophobicContact CB-CD1 4.21Å; L648-L697 HydrophobicContact CD2-CB 4.37Å; L648-L699 HydrophobicContact CD1-CB 3.9Å; L648-L699 HydrophobicContact CD2-CB 4.18Å; L648-I705 HydrophobicContact CD2-CB 4.46Å; L648-I705 HydrophobicContact CD2-CD1 4.05Å; L648-I705 HydrophobicContact CD2-CG1 4.09Å; L648-I705 HydrophobicContact CD2-CG2 3.63Å
649V89.1Confident81.6Confident12 Ų1237.7 Ų37.77%0.07322%0.216CC..EExtended strand (participates in β ladder)trans-88.1134.9175.6-1780000108.6I590 K651 H657 L658I590-V649 HydrophobicContact CD1-CB 4.39Å; I590-V649 HydrophobicContact CD1-CG1 3.74Å; I590-V649 HydrophobicContact CD1-CG2 3.66Å; I590-V649 HydrophobicContact CG1-CG1 4.04Å; I590-V649 HydrophobicContact CG1-CG2 4.06Å; V649-K651 HydrophobicContact CG1-CG 4.07Å; V649-H657 WeakPolarHBondContact CA-O 3.39Å; V649-L658 HydrophobicContact CG2-CD1 3.84Å
650I83.1Confident81.9Confident21 Ų2137.7 Ų37.711%0.10822%0.216CC..EExtended strand (participates in β ladder)trans-115.9110172-51167.4000107H657 L659 I705 L731 W733I650-H657 PolarHBondContact N-O 3.06Å; I650-H657 PolarHBondContact O-N 3.42Å; I650-L659 HydrophobicContact CD1-CD1 4.16Å; I650-L659 HydrophobicContact CD1-CG 4.17Å; I650-I705 HydrophobicContact CD1-CD1 3.59Å; I650-I705 HydrophobicContact CG1-CD1 4.23Å; I650-L731 HydrophobicContact CB-CD1 4.04Å; I650-L731 HydrophobicContact CD1-CD1 3.76Å; I650-L731 HydrophobicContact CD1-CD2 4Å; I650-L731 HydrophobicContact CG2-CD1 3.76Å; I650-L731 HydrophobicContact CG2-CD2 4.23Å; I650-L731 HydrophobicContact CG2-CG 4.41Å; I650-W733 HydrophobicContact CD1-CH2 3.79Å; I650-W733 HydrophobicContact CD1-CZ2 3.83Å
651K75.9Confident82.4Confident103 Ų10333.1 Ų33.145%0.44819%0.194SC..EExtended strand (participates in β ladder)trans-85.5114-179.1-63.7177.5176.7174.10108.9E588 V649E588-K651 IonicContact OE1-NZ 3.57Å; E588-K651 PolarHBondContact OE1-NZ 2.88Å; E588-K651 IonicContact OE2-NZ 2.85Å; V649-K651 HydrophobicContact CG1-CG 4.07Å
652G67.3Low82.8Confident43 Ų4328 Ų2844%0.44316%0.158SC..  trans-89.2-177.216800000111.7D655G652-D655 VanDerWaalsContact CA-O 3.27Å; G652-D655 WeakPolarHBondContact CA-O 3.18Å; G652-D655 PolarHBondContact N-O 3.35Å
653Q58.2Low83.1Confident146 Ų14630.8 Ų30.868%0.68217%0.167SC*.SBendtrans-70-34.9177.6-68.9-177.9-15.300113.1N729Q653-N729 WeakPolarHBondContact CB-OD1 3.17Å; Q653-N729 VanDerWaalsContact CG-OD1 3.25Å; Q653-N729 WeakPolarHBondContact CG-OD1 3.26Å; Q653-N729 PolarHBondContact OE1-ND2 3.42Å; Q653-N729 PolarHBondContact OE1-OD1 2.78Å
654S60Low82.6Confident68 Ų6832 Ų3248%0.47617%0.174SC..SBendtrans-124.4-28.3179.261.60000113.4
655D68.9Low81.6Confident85 Ų8538.4 Ų38.446%0.45520%0.199SC..  trans-116.9133.1-170.5-66.618.3000109.9G652G652-D655 VanDerWaalsContact CA-O 3.27Å; G652-D655 WeakPolarHBondContact CA-O 3.18Å; G652-D655 PolarHBondContact N-O 3.35Å
656C79.2Confident80.7Confident15 Ų1538 Ų3810%0.10120%0.197CC..EExtended strand (participates in β ladder)trans-100.4132.9172-76.80000110I590 I673I590-C656 HydrophobicContact CG2-CB 3.99Å; C656-I673 HydrophobicContact CB-CB 4.33Å; C656-I673 HydrophobicContact CB-CD1 3.96Å; C656-I673 PolarHBondContact O-N 2.82Å
657H84.7Confident79.9Confident26 Ų2638.3 Ų38.312%0.1220%0.198CC..EExtended strand (participates in β ladder)trans-118.3153.7176.1-58.3-71.9000111.7V649 I650 Y670 W671 L731V649-H657 WeakPolarHBondContact CA-O 3.39Å; I650-H657 PolarHBondContact N-O 3.06Å; I650-H657 PolarHBondContact O-N 3.42Å; H657-Y670 HydrophobicContact CB-CD2 4.34Å; H657-Y670 HydrophobicContact CB-CE2 3.42Å; H657-Y670 VanDerWaalsContact CB-CE2 3.42Å; H657-Y670 PolarHBondContact CD2-OH 3.3Å; H657-Y670 VanDerWaalsContact CD2-OH 3.3Å; H657-Y670 PolarHBondContact CE1-OH 3.48Å; H657-Y670 VanDerWaalsContact CE1-OH 3.23Å; H657-Y670 AromaticContact CG-CE2 3.67Å; H657-Y670 AromaticContact CG-CZ 3.66Å; H657-Y670 AromaticContact ND1-CE2 3.9Å; H657-Y670 AromaticContact ND1-CZ 3.53Å; H657-Y670 PolarHBondContact ND1-OH 3.24Å; H657-Y670 VanDerWaalsContact ND1-OH 3.09Å; H657-Y670 PolarHBondContact NE2-OH 2.88Å; H657-W671 CarbonylContact C-O 3.6Å; H657-W671 VanDerWaalsContact CA-O 3.25Å; H657-W671 WeakPolarHBondContact CA-O 3.35Å; H657-W671 WeakPolarHBondContact CB-O 3.14Å; H657-L731 HydrophobicContact CB-CD1 4.18Å
658L88.8Confident79.5Confident0 Ų037.8 Ų37.80%020%0.196CC..EExtended strand (participates in β ladder)trans-124.8134.3178-176.374.2000109.7V606 M647 V649 W671 I673 L679V606-L658 HydrophobicContact CB-CD2 4.18Å; V606-L658 HydrophobicContact CG1-CD2 3.79Å; V606-L658 HydrophobicContact CG2-CD2 4.25Å; M647-L658 HydrophobicContact CB-CD1 4.19Å; V649-L658 HydrophobicContact CG2-CD1 3.84Å; L658-W671 HydrophobicContact CB-CB 4.17Å; L658-W671 PolarHBondContact N-O 2.65Å; L658-W671 VanDerWaalsContact O-CD1 3.3Å; L658-W671 PolarHBondContact O-N 2.89Å; L658-I673 HydrophobicContact CB-CD1 3.93Å; L658-I673 HydrophobicContact CB-CG1 4.16Å; L658-L679 HydrophobicContact CD2-CD1 4.05Å
659L89.4Confident79.1Confident0 Ų036.8 Ų36.80%019%0.19CC..EExtended strand (participates in β ladder)trans-101.4140.2160.7-68.2179.6000110.1M647 L648 I650 V668 K669 Y670 I685 L697 I705 W733M647-L659 CarbonylContact C-O 3.54Å; M647-L659 VanDerWaalsContact CA-O 3.24Å; M647-L659 WeakPolarHBondContact CA-O 3.47Å; L648-L659 HydrophobicContact CB-CB 4.36Å; L648-L659 HydrophobicContact CD2-CD1 4.46Å; L648-L659 PolarHBondContact N-O 2.94Å; L648-L659 PolarHBondContact O-N 3.38Å; I650-L659 HydrophobicContact CD1-CD1 4.16Å; I650-L659 HydrophobicContact CD1-CG 4.17Å; L659-V668 HydrophobicContact CB-CG1 4.14Å; L659-V668 HydrophobicContact CD1-CG1 4.42Å; L659-V668 HydrophobicContact CD2-CG1 3.84Å; L659-V668 HydrophobicContact CG-CG1 4.38Å; L659-K669 WeakPolarHBondContact CA-O 3.09Å; L659-Y670 HydrophobicContact CD2-CD2 3.85Å; L659-Y670 HydrophobicContact CD2-CG 4.41Å; L659-I685 HydrophobicContact CD2-CD1 4.3Å; L659-L697 HydrophobicContact CB-CD1 3.67Å; L659-L697 HydrophobicContact CD1-CD1 4.38Å; L659-I705 HydrophobicContact CD1-CD1 3.99Å; L659-I705 HydrophobicContact CD1-CG2 4.22Å; L659-W733 HydrophobicContact CD1-CH2 3.52Å; L659-W733 HydrophobicContact CD1-CZ2 4.34Å; L659-W733 HydrophobicContact CD1-CZ3 4.24Å; L659-W733 HydrophobicContact CD2-CH2 3.57Å; L659-W733 HydrophobicContact CD2-CZ2 3.69Å; L659-W733 HydrophobicContact CD2-CZ3 4.35Å; L659-W733 HydrophobicContact CG-CH2 3.84Å; L659-W733 HydrophobicContact CG-CZ2 4.18Å
660S91.6Very high78.8Confident0 Ų037 Ų370%019%0.19CC..EExtended strand (participates in β ladder)trans-137.5144.2173.465.60000110.3H639 S646 V668 K669 W671H639-S660 PolarHBondContact CE1-O 3.34Å; H639-S660 VanDerWaalsContact CE1-O 3.27Å; H639-S660 WeakPolarHBondContact NE2-CB 3.5Å; H639-S660 PolarHBondContact NE2-OG 2.93Å; S646-S660 WeakPolarHBondContact O-CA 2.76Å; S660-V668 CarbonylContact O-C 3.52Å; S660-V668 WeakPolarHBondContact O-CA 3.43Å; S660-K669 PolarHBondContact N-O 3.26Å; S660-K669 PolarHBondContact O-N 3.46Å; S660-W671 PolarHBondContact OG-NE1 2.78Å
661C90.9Very high78.9Confident0 Ų036.1 Ų36.10%019%0.186CC..EExtended strand (participates in β ladder)trans-138.2169.7178.165.80000112.3H639 C644 T645 S646 D667 V668 I694 L697H639-C661 VanDerWaalsContact CE1-CA 3.48Å; H639-C661 WeakPolarHBondContact CE1-CA 3.45Å; C644-C661 CarbonylContact C-O 3.48Å; C644-C661 WeakPolarHBondContact CA-O 3.26Å; C644-C661 PolarHBondContact SG-O 3.03Å; C644-C661 VanDerWaalsContact SG-O 3.34Å; T645-C661 PolarHBondContact N-O 2.85Å; T645-C661 PolarHBondContact OG1-O 3.36Å; T645-C661 PolarHBondContact OG1-SG 3.11Å; S646-C661 VanDerWaalsContact CB-SG 3.55Å; S646-C661 PolarHBondContact O-N 2.93Å; S646-C661 VanDerWaalsContact O-N 3.08Å; C661-D667 WeakPolarHBondContact CA-O 3.2Å; C661-D667 WeakPolarHBondContact CB-O 3.09Å; C661-V668 HydrophobicContact CB-CG2 4.17Å; C661-I694 HydrophobicContact CB-CB 4.07Å; C661-I694 HydrophobicContact CB-CD1 4.34Å; C661-I694 HydrophobicContact CB-CG2 4.07Å; C661-I694 VanDerWaalsContact SG-CG2 3.51Å; C661-L697 HydrophobicContact CB-CD1 4.44Å
662G87.8Confident79.1Confident0 Ų031.9 Ų31.90%017%0.169CC..EExtended strand (participates in β ladder)trans-145.3-176.817800000114.8G643 T645 I694G643-G662 WeakPolarHBondContact O-CA 3.34Å; T645-G662 WeakPolarHBondContact OG1-CA 3.29Å; G662-I694 PolarHBondContact O-N 3.3Å
663R84.4Confident80Confident67 Ų6730.6 Ų30.625%0.25315%0.151SC..SBendtrans-80.3-23.8179.8-56.8-175.259.9157.2-11113.8G642 G643 T645 W693 N753G642-R663 WeakPolarHBondContact O-CB 3.48Å; G642-R663 WeakPolarHBondContact O-CD 3.19Å; G642-R663 WeakPolarHBondContact O-CG 3.22Å; G643-R663 PolarHBondContact O-N 3.23Å; T645-R663 HydrophobicContact CG2-CG 3.41Å; T645-R663 VanDerWaalsContact CG2-CG 3.41Å; R663-W693 HydrophobicContact CB-CG 4.17Å; R663-W693 HydrophobicContact CG-CD2 4.35Å; R663-W693 HydrophobicContact CG-CG 4.19Å; R663-N753 PolarHBondContact NH2-OD1 2.77Å
664T75.4Confident81.2Confident25 Ų2527.1 Ų27.115%0.15314%0.135CC..SBendtrans-88.2126.7-177.341.20000110.2H639 Q640 G666 D667H639-T664 PolarHBondContact O-OG1 2.81Å; Q640-T664 HydrophobicContact CB-CG2 4.47Å; T664-G666 PolarHBondContact O-N 3.35Å; T664-D667 VanDerWaalsContact O-OD1 3.08Å
665Y71.5Confident82Confident135 Ų13526.7 Ų26.753%0.52913%0.132SC..THydrogen-bonded Turntrans59.89.9172.6-47.5-71000116.9D667 R687Y665-D667 PolarHBondContact O-N 2.85Å; Y665-R687 WeakPolarHBondContact O-CB 3.44Å; Y665-R687 WeakPolarHBondContact O-CD 3.41Å; Y665-R687 WeakPolarHBondContact O-CG 3.27Å; Y665-R687 PolarHBondContact O-NE 2.89Å; Y665-R687 VanDerWaalsContact O-NE 3.14Å
666G73Confident82.6Confident4 Ų426.7 Ų26.74%0.04113%0.132CC..THydrogen-bonded Turntrans49.534.9176.600000113.8T664 T692 I694T664-G666 PolarHBondContact O-N 3.35Å; G666-T692 PolarHBondContact N-O 2.72Å; G666-I694 WeakPolarHBondContact O-CD1 3.38Å
667D76Confident82.7Confident16 Ų1626 Ų269%0.08613%0.127CC..  trans-80.2142.8177.364.2-32.5000110.6H639 C661 T664 Y665 K669 T684 I685 L686H639-D667 IonicContact ND1-OD1 2.98Å; H639-D667 IonicContact ND1-OD2 3.15Å; C661-D667 WeakPolarHBondContact CA-O 3.2Å; C661-D667 WeakPolarHBondContact CB-O 3.09Å; T664-D667 VanDerWaalsContact O-OD1 3.08Å; Y665-D667 PolarHBondContact O-N 2.85Å; D667-K669 IonicContact OD2-NZ 2.76Å; D667-K669 PolarHBondContact OD2-NZ 3.27Å; D667-T684 HydrophobicContact CB-CG2 4.13Å; D667-I685 WeakPolarHBondContact CA-O 3.4Å; D667-L686 HydrophobicContact CB-CD2 4.37Å
668V82.9Confident82.7Confident3 Ų325.1 Ų25.12%0.01813%0.125CC..EExtended strand (participates in β ladder)trans-117.6125.7170.2-173.70000107.3L659 S660 C661 I685 I694 L697 L720L659-V668 HydrophobicContact CB-CG1 4.14Å; L659-V668 HydrophobicContact CD1-CG1 4.42Å; L659-V668 HydrophobicContact CD2-CG1 3.84Å; L659-V668 HydrophobicContact CG-CG1 4.38Å; S660-V668 CarbonylContact O-C 3.52Å; S660-V668 WeakPolarHBondContact O-CA 3.43Å; C661-V668 HydrophobicContact CB-CG2 4.17Å; V668-I685 HydrophobicContact CB-CB 4.18Å; V668-I685 HydrophobicContact CB-CD1 4.04Å; V668-I685 HydrophobicContact CG1-CD1 4.12Å; V668-I685 PolarHBondContact N-O 2.83Å; V668-I685 WeakPolarHBondContact O-CA 3.5Å; V668-I685 VanDerWaalsContact O-CB 3.28Å; V668-I685 WeakPolarHBondContact O-CB 3.46Å; V668-I685 PolarHBondContact O-N 3.37Å; V668-I694 HydrophobicContact CG2-CD1 3.38Å; V668-L697 HydrophobicContact CG1-CD1 4.28Å; V668-L697 HydrophobicContact CG2-CD2 4.48Å; V668-L720 HydrophobicContact CG2-CD1 4.49Å
669K84.1Confident82.5Confident3 Ų325.4 Ų25.41%0.01313%0.126CC..EExtended strand (participates in β ladder)trans-102.3135.4178.2-66.7-179.7170.878.50110.6C638 L659 S660 D667 W671 L681 T684 Y1064C638-K669 PolarHBondContact O-NZ 3.46Å; C638-K669 WeakPolarHBondContact SG-CD 3.41Å; C638-K669 VanDerWaalsContact SG-CE 3.58Å; L659-K669 WeakPolarHBondContact CA-O 3.09Å; S660-K669 PolarHBondContact N-O 3.26Å; S660-K669 PolarHBondContact O-N 3.46Å; D667-K669 IonicContact OD2-NZ 2.76Å; D667-K669 PolarHBondContact OD2-NZ 3.27Å; K669-W671 HydrophobicContact CB-CZ2 3.88Å; K669-W671 HydrophobicContact CD-CH2 4.29Å; K669-W671 HydrophobicContact CD-CZ2 3.54Å; K669-W671 HydrophobicContact CG-CZ2 4.39Å; K669-L681 HydrophobicContact CB-CD1 3.99Å; K669-L681 HydrophobicContact CD-CD1 4.39Å; K669-L681 HydrophobicContact CG-CD1 4.34Å; K669-T684 HydrophobicContact CG-CG2 3.97Å; K669-Y1064 WeakPolarHBondContact CE-OH 3.32Å; K669-Y1064 PolarHBondContact NZ-OH 2.83Å; K669-Y1064 VanDerWaalsContact NZ-OH 3.13Å
670Y81.8Confident81.9Confident16 Ų1626.9 Ų26.96%0.06313%0.134CC..EExtended strand (participates in β ladder)trans-108.3122.2-179.6177.2-123.9000110.8H657 L659 L682 A683 L731 W733H657-Y670 HydrophobicContact CB-CD2 4.34Å; H657-Y670 HydrophobicContact CB-CE2 3.42Å; H657-Y670 VanDerWaalsContact CB-CE2 3.42Å; H657-Y670 PolarHBondContact CD2-OH 3.3Å; H657-Y670 VanDerWaalsContact CD2-OH 3.3Å; H657-Y670 PolarHBondContact CE1-OH 3.48Å; H657-Y670 VanDerWaalsContact CE1-OH 3.23Å; H657-Y670 AromaticContact CG-CE2 3.67Å; H657-Y670 AromaticContact CG-CZ 3.66Å; H657-Y670 AromaticContact ND1-CE2 3.9Å; H657-Y670 AromaticContact ND1-CZ 3.53Å; H657-Y670 PolarHBondContact ND1-OH 3.24Å; H657-Y670 VanDerWaalsContact ND1-OH 3.09Å; H657-Y670 PolarHBondContact NE2-OH 2.88Å; L659-Y670 HydrophobicContact CD2-CD2 3.85Å; L659-Y670 HydrophobicContact CD2-CG 4.41Å; Y670-L682 HydrophobicContact CD1-CB 3.6Å; Y670-L682 HydrophobicContact CD1-CD1 3.89Å; Y670-L682 HydrophobicContact CD1-CG 4.33Å; Y670-L682 HydrophobicContact CE1-CB 3.91Å; Y670-L682 HydrophobicContact CE1-CD1 3.35Å; Y670-L682 HydrophobicContact CE1-CG 4.26Å; Y670-L682 PolarHBondContact O-N 3.47Å; Y670-A683 PolarHBondContact N-O 2.93Å; Y670-A683 PolarHBondContact O-N 3.1Å; Y670-L731 HydrophobicContact CE2-CD1 4.03Å; Y670-W733 AromaticContact CD1-CD1 3.71Å; Y670-W733 AromaticContact CD1-NE1 3.36Å; Y670-W733 AromaticContact CD2-CE2 3.61Å; Y670-W733 AromaticContact CD2-CZ2 3.49Å; Y670-W733 HydrophobicContact CD2-CZ2 3.49Å; Y670-W733 VanDerWaalsContact CD2-CZ2 3.49Å; Y670-W733 AromaticContact CD2-NE1 3.44Å; Y670-W733 AromaticContact CE1-CD1 3.58Å; Y670-W733 AromaticContact CE1-NE1 3.13Å; Y670-W733 AromaticContact CE2-CE2 3.6Å; Y670-W733 AromaticContact CE2-CZ2 3.52Å; Y670-W733 HydrophobicContact CE2-CZ2 3.52Å; Y670-W733 AromaticContact CE2-NE1 3.17Å; Y670-W733 AromaticContact CG-CE2 3.89Å; Y670-W733 HydrophobicContact CG-CZ2 4.19Å; Y670-W733 AromaticContact CG-NE1 3.52Å; Y670-W733 AromaticContact CZ-CD1 3.92Å; Y670-W733 AromaticContact CZ-CE2 3.94Å; Y670-W733 AromaticContact CZ-NE1 3.03Å
671W84.8Confident81.2Confident4 Ų427.4 Ų27.42%0.01514%0.137CC..EExtended strand (participates in β ladder)trans-121.1143.7-174.9-45.583.7000110.9I614 W633 L635 C638 H657 L658 S660 K669 L679 N680 L681I614-W671 HydrophobicContact CD1-CZ2 3.86Å; W633-W671 HydrophobicContact CH2-CH2 4.37Å; W633-W671 AromaticContact CH2-CZ3 3.96Å; W633-W671 HydrophobicContact CH2-CZ3 3.96Å; W633-W671 HydrophobicContact CZ2-CZ3 4.25Å; L635-W671 HydrophobicContact CD2-CH2 3.61Å; L635-W671 HydrophobicContact CD2-CZ3 4.31Å; C638-W671 WeakPolarHBondContact SG-CZ2 3.48Å; H657-W671 CarbonylContact C-O 3.6Å; H657-W671 VanDerWaalsContact CA-O 3.25Å; H657-W671 WeakPolarHBondContact CA-O 3.35Å; H657-W671 WeakPolarHBondContact CB-O 3.14Å; L658-W671 HydrophobicContact CB-CB 4.17Å; L658-W671 PolarHBondContact N-O 2.65Å; L658-W671 VanDerWaalsContact O-CD1 3.3Å; L658-W671 PolarHBondContact O-N 2.89Å; S660-W671 PolarHBondContact OG-NE1 2.78Å; K669-W671 HydrophobicContact CB-CZ2 3.88Å; K669-W671 HydrophobicContact CD-CH2 4.29Å; K669-W671 HydrophobicContact CD-CZ2 3.54Å; K669-W671 HydrophobicContact CG-CZ2 4.39Å; W671-L679 HydrophobicContact CD2-CB 4.45Å; W671-L679 HydrophobicContact CE3-CB 3.92Å; W671-N680 CarbonylContact C-O 3.51Å; W671-N680 VanDerWaalsContact CA-O 3.25Å; W671-N680 WeakPolarHBondContact CA-O 3.47Å; W671-L681 HydrophobicContact CD2-CD1 4.07Å; W671-L681 HydrophobicContact CE3-CB 3.82Å; W671-L681 HydrophobicContact CE3-CD1 4.07Å; W671-L681 HydrophobicContact CH2-CB 4.24Å; W671-L681 HydrophobicContact CH2-CD1 3.94Å; W671-L681 HydrophobicContact CH2-CG 4.5Å; W671-L681 HydrophobicContact CZ2-CD1 3.97Å; W671-L681 HydrophobicContact CZ3-CB 3.62Å; W671-L681 HydrophobicContact CZ3-CD1 4.02Å; W671-L681 HydrophobicContact CZ3-CG 4.32Å
672S81.3Confident80.3Confident14 Ų1429.7 Ų29.710%0.09815%0.149CC..EExtended strand (participates in β ladder)trans-89.9133.9157.8158.70000108.7Q674 N680S672-Q674 PolarHBondContact OG-NE2 2.75Å; S672-N680 PolarHBondContact N-O 3.23Å; S672-N680 PolarHBondContact O-N 2.95Å
673I85.1Confident79.4Confident15 Ų1530.7 Ų30.78%0.07716%0.157CC..EExtended strand (participates in β ladder)trans-96.1125.9174.5-59.1151.5000107.9I590 I604 C656 L658 L679I590-I673 HydrophobicContact CD1-CD1 3.32Å; I590-I673 HydrophobicContact CD1-CG1 4.5Å; I604-I673 HydrophobicContact CD1-CG2 3.89Å; I604-I673 HydrophobicContact CG2-CG2 4.41Å; C656-I673 HydrophobicContact CB-CB 4.33Å; C656-I673 HydrophobicContact CB-CD1 3.96Å; C656-I673 PolarHBondContact O-N 2.82Å; L658-I673 HydrophobicContact CB-CD1 3.93Å; L658-I673 HydrophobicContact CB-CG1 4.16Å; I673-L679 HydrophobicContact CB-CD2 4.1Å; I673-L679 HydrophobicContact CG1-CD2 3.49Å; I673-L679 VanDerWaalsContact CG1-CD2 3.49Å; I673-L679 HydrophobicContact CG2-CD2 4.16Å
674Q82.7Confident78.7Confident73 Ų7328.1 Ų28.134%0.34115%0.149SC..PPolyproline II helixtrans-89.4157.6174.1-57.6-63.7-51.100110.3S672 N676 G677 S678 N680S672-Q674 PolarHBondContact OG-NE2 2.75Å; Q674-N676 VanDerWaalsContact CB-OD1 3.31Å; Q674-N676 WeakPolarHBondContact CB-OD1 3.32Å; Q674-N676 PolarHBondContact O-N 3.16Å; Q674-G677 PolarHBondContact O-N 3.41Å; Q674-S678 WeakPolarHBondContact CB-OG 3.37Å; Q674-S678 WeakPolarHBondContact CG-OG 3.47Å; Q674-S678 PolarHBondContact N-O 2.64Å; Q674-N680 WeakPolarHBondContact CG-ND2 3.19Å; Q674-N680 PolarHBondContact NE2-ND2 2.97Å
675S78.1Confident78.4Confident59 Ų5928.1 Ų28.141%0.41315%0.147SC..THydrogen-bonded Turntrans-60.7-26-179.753.10000113.9V592 H593 G677V592-S675 WeakPolarHBondContact CG1-O 3.25Å; H593-S675 VanDerWaalsContact O-CB 3.31Å; H593-S675 WeakPolarHBondContact O-CB 3.24Å; S675-G677 PolarHBondContact O-N 3.39Å
676N81.1Confident77.8Confident85 Ų8524.2 Ų24.246%0.45514%0.135SC..THydrogen-bonded Turntrans-79.43.4174.268.7-0.4000114.1Q674 S678Q674-N676 VanDerWaalsContact CB-OD1 3.31Å; Q674-N676 WeakPolarHBondContact CB-OD1 3.32Å; Q674-N676 PolarHBondContact O-N 3.16Å; N676-S678 VanDerWaalsContact C-N 3.34Å; N676-S678 PolarHBondContact O-N 2.89Å; N676-S678 VanDerWaalsContact OD1-CB 3.25Å; N676-S678 WeakPolarHBondContact OD1-CB 3.46Å; N676-S678 PolarHBondContact OD1-N 3.4Å; N676-S678 PolarHBondContact OD1-OG 2.76Å
677G81.5Confident77.1Confident0 Ų027.9 Ų27.90%015%0.148CC..SBendtrans82.30.3-177.100000115.3S616 Q674 S675S616-G677 WeakPolarHBondContact CB-O 3.21Å; S616-G677 PolarHBondContact OG-O 3.21Å; Q674-G677 PolarHBondContact O-N 3.41Å; S675-G677 PolarHBondContact O-N 3.39Å
678S84.1Confident76Confident9 Ų929.3 Ų29.36%0.06316%0.159CC..  trans-71.8145.9173.565.30000111.7Q674 N676 G1059Q674-S678 WeakPolarHBondContact CB-OG 3.37Å; Q674-S678 WeakPolarHBondContact CG-OG 3.47Å; Q674-S678 PolarHBondContact N-O 2.64Å; N676-S678 VanDerWaalsContact C-N 3.34Å; N676-S678 PolarHBondContact O-N 2.89Å; N676-S678 VanDerWaalsContact OD1-CB 3.25Å; N676-S678 WeakPolarHBondContact OD1-CB 3.46Å; N676-S678 PolarHBondContact OD1-N 3.4Å; N676-S678 PolarHBondContact OD1-OG 2.76Å; S678-G1059 PolarHBondContact OG-O 2.81Å
679L84.6Confident74.5Confident5 Ų533.6 Ų33.63%0.02618%0.182CC..EExtended strand (participates in β ladder)trans-111.1126-179.8-57.6-176.7000110.4V606 I614 W633 L658 W671 I673V606-L679 HydrophobicContact CG1-CD1 3.91Å; V606-L679 HydrophobicContact CG2-CD1 4.31Å; V606-L679 HydrophobicContact CG2-CD2 4.34Å; I614-L679 HydrophobicContact CG2-CD1 3.84Å; W633-L679 HydrophobicContact CD2-CB 4.16Å; W633-L679 HydrophobicContact CD2-CG 4.31Å; W633-L679 HydrophobicContact CE3-CB 4.12Å; W633-L679 HydrophobicContact CE3-CD1 3.9Å; W633-L679 HydrophobicContact CE3-CG 3.96Å; W633-L679 HydrophobicContact CH2-CB 3.88Å; W633-L679 HydrophobicContact CH2-CD1 4.19Å; W633-L679 HydrophobicContact CH2-CG 4.44Å; W633-L679 HydrophobicContact CZ2-CB 3.91Å; W633-L679 WeakPolarHBondContact CZ2-O 3.12Å; W633-L679 HydrophobicContact CZ3-CB 4.01Å; W633-L679 HydrophobicContact CZ3-CD1 3.63Å; W633-L679 HydrophobicContact CZ3-CG 4.06Å; L658-L679 HydrophobicContact CD2-CD1 4.05Å; W671-L679 HydrophobicContact CD2-CB 4.45Å; W671-L679 HydrophobicContact CE3-CB 3.92Å; I673-L679 HydrophobicContact CB-CD2 4.1Å; I673-L679 HydrophobicContact CG1-CD2 3.49Å; I673-L679 VanDerWaalsContact CG1-CD2 3.49Å; I673-L679 HydrophobicContact CG2-CD2 4.16Å
680N76.8Confident73.4Confident32 Ų3234.9 Ų34.917%0.17119%0.188CC..EExtended strand (participates in β ladder)trans-105.3114.3177.9-73.2-24.5000110.6W671 S672 Q674 L682 G1059W671-N680 CarbonylContact C-O 3.51Å; W671-N680 VanDerWaalsContact CA-O 3.25Å; W671-N680 WeakPolarHBondContact CA-O 3.47Å; S672-N680 PolarHBondContact N-O 3.23Å; S672-N680 PolarHBondContact O-N 2.95Å; Q674-N680 WeakPolarHBondContact CG-ND2 3.19Å; Q674-N680 PolarHBondContact NE2-ND2 2.97Å; N680-L682 PolarHBondContact O-N 3.22Å; N680-G1059 WeakPolarHBondContact OD1-CA 3.01Å; N680-G1059 PolarHBondContact OD1-O 2.85Å
681L77.1Confident72.9Confident10 Ų1034.5 Ų34.55%0.05219%0.187CC..EExtended strand (participates in β ladder)trans-66.2117.1174.5-173.364.2000109.1K669 W671 A683 R954 Y1064K669-L681 HydrophobicContact CB-CD1 3.99Å; K669-L681 HydrophobicContact CD-CD1 4.39Å; K669-L681 HydrophobicContact CG-CD1 4.34Å; W671-L681 HydrophobicContact CD2-CD1 4.07Å; W671-L681 HydrophobicContact CE3-CB 3.82Å; W671-L681 HydrophobicContact CE3-CD1 4.07Å; W671-L681 HydrophobicContact CH2-CB 4.24Å; W671-L681 HydrophobicContact CH2-CD1 3.94Å; W671-L681 HydrophobicContact CH2-CG 4.5Å; W671-L681 HydrophobicContact CZ2-CD1 3.97Å; W671-L681 HydrophobicContact CZ3-CB 3.62Å; W671-L681 HydrophobicContact CZ3-CD1 4.02Å; W671-L681 HydrophobicContact CZ3-CG 4.32Å; L681-A683 WeakPolarHBondContact CD1-O 3.26Å; L681-R954 PolarHBondContact O-NH1 3.01Å; L681-Y1064 HydrophobicContact CD2-CD1 4.45Å; L681-Y1064 HydrophobicContact CD2-CE1 4.27Å
682L71.7Confident72.5Confident49 Ų4936.6 Ų36.626%0.25720%0.2SC..EExtended strand (participates in β ladder)trans-94.3-41.1177.2-65.6-178.3000110.9Y670 N680Y670-L682 HydrophobicContact CD1-CB 3.6Å; Y670-L682 HydrophobicContact CD1-CD1 3.89Å; Y670-L682 HydrophobicContact CD1-CG 4.33Å; Y670-L682 HydrophobicContact CE1-CB 3.91Å; Y670-L682 HydrophobicContact CE1-CD1 3.35Å; Y670-L682 HydrophobicContact CE1-CG 4.26Å; Y670-L682 PolarHBondContact O-N 3.47Å; N680-L682 PolarHBondContact O-N 3.22Å
683A68.8Low72.5Confident20 Ų2037.1 Ų37.117%0.16520%0.2CC..EExtended strand (participates in β ladder)trans-159153.5176.900000111.7Y670 L681Y670-A683 PolarHBondContact N-O 2.93Å; Y670-A683 PolarHBondContact O-N 3.1Å; L681-A683 WeakPolarHBondContact CD1-O 3.26Å
684T71.3Confident72.7Confident14 Ų1436.7 Ų36.79%0.08620%0.198CC..EExtended strand (participates in β ladder)trans-107.1119.8162.1-54.20000109.3D667 K669 L686 F967D667-T684 HydrophobicContact CB-CG2 4.13Å; K669-T684 HydrophobicContact CG-CG2 3.97Å; T684-L686 HydrophobicContact CG2-CD2 4.24Å; T684-L686 HydrophobicContact CG2-CG 4.18Å; T684-L686 PolarHBondContact O-N 2.91Å; T684-F967 PolarHBondContact N-O 3.04Å; T684-F967 VanDerWaalsContact N-O 3.12Å
685I67.6Low73Confident25 Ų2535.4 Ų35.413%0.12819%0.192CC..EExtended strand (participates in β ladder)trans-83.6103174.7-53.5151.7000107.1L659 D667 V668 R687 W733 F735L659-I685 HydrophobicContact CD2-CD1 4.3Å; D667-I685 WeakPolarHBondContact CA-O 3.4Å; V668-I685 HydrophobicContact CB-CB 4.18Å; V668-I685 HydrophobicContact CB-CD1 4.04Å; V668-I685 HydrophobicContact CG1-CD1 4.12Å; V668-I685 PolarHBondContact N-O 2.83Å; V668-I685 WeakPolarHBondContact O-CA 3.5Å; V668-I685 VanDerWaalsContact O-CB 3.28Å; V668-I685 WeakPolarHBondContact O-CB 3.46Å; V668-I685 PolarHBondContact O-N 3.37Å; I685-R687 PolarHBondContact O-N 2.88Å; I685-W733 HydrophobicContact CD1-CE3 4.34Å; I685-F735 HydrophobicContact CB-CD2 4.34Å; I685-F735 HydrophobicContact CB-CE2 4.35Å; I685-F735 HydrophobicContact CD1-CD2 3.98Å; I685-F735 HydrophobicContact CD1-CE2 3.23Å; I685-F735 HydrophobicContact CD1-CZ 3.76Å; I685-F735 HydrophobicContact CG1-CD2 3.74Å; I685-F735 HydrophobicContact CG1-CE2 3.54Å; I685-F735 HydrophobicContact CG1-CZ 4.4Å; I685-F735 HydrophobicContact CG2-CB 4.18Å; I685-F735 HydrophobicContact CG2-CD1 4.17Å; I685-F735 HydrophobicContact CG2-CD2 3.63Å; I685-F735 HydrophobicContact CG2-CE1 4.4Å; I685-F735 HydrophobicContact CG2-CE2 3.87Å; I685-F735 HydrophobicContact CG2-CG 3.76Å; I685-F735 HydrophobicContact CG2-CZ 4.27Å
686L59Low73.5Confident52 Ų5236.7 Ų36.727%0.27219%0.19SC..  trans-86113.6-178.8-74.7161.9000110.1D667 T684 R910 G911 F967D667-L686 HydrophobicContact CB-CD2 4.37Å; T684-L686 HydrophobicContact CG2-CD2 4.24Å; T684-L686 HydrophobicContact CG2-CG 4.18Å; T684-L686 PolarHBondContact O-N 2.91Å; L686-R910 HydrophobicContact CB-CB 3.85Å; L686-R910 HydrophobicContact CD1-CB 4.47Å; L686-R910 WeakPolarHBondContact CD1-O 2.94Å; L686-G911 VanDerWaalsContact CD1-CA 3.43Å; L686-F967 HydrophobicContact CD1-CB 4.49Å; L686-F967 HydrophobicContact CD1-CD1 3.86Å; L686-F967 HydrophobicContact CD1-CE1 4.15Å; L686-F967 HydrophobicContact CD1-CG 4.05Å
687R58.3Low73.9Confident81 Ų8133 Ų3331%0.30617%0.17SC..  trans20.6118.8160.9-136.7-173.2-154.6175.913.7116.7Y665 I685 L691 T692 R910Y665-R687 WeakPolarHBondContact O-CB 3.44Å; Y665-R687 WeakPolarHBondContact O-CD 3.41Å; Y665-R687 WeakPolarHBondContact O-CG 3.27Å; Y665-R687 PolarHBondContact O-NE 2.89Å; Y665-R687 VanDerWaalsContact O-NE 3.14Å; I685-R687 PolarHBondContact O-N 2.88Å; R687-L691 VanDerWaalsContact CG-O 3.3Å; R687-L691 WeakPolarHBondContact CG-O 3.35Å; R687-L691 PolarHBondContact NE-O 2.75Å; R687-T692 VanDerWaalsContact NH2-C 3.29Å; R687-T692 PolarHBondContact NH2-O 3.27Å; R687-R910 PolarHBondContact O-NH1 2.96Å
688S52.5Low74.1Confident46 Ų4635.7 Ų35.732%0.32218%0.181SC..  trans-71.3154152.172.80000109H690S688-H690 PolarHBondContact O-N 3.04Å
689D52.4Low74.1Confident93 Ų9338.6 Ų38.650%0.49720%0.195SC..THydrogen-bonded Turntrans-64.815.8-178-57.7-38.7000114.3Q711 R910D689-Q711 PolarHBondContact O-NE2 2.73Å; D689-Q711 PolarHBondContact O-OE1 3.3Å; D689-R910 IonicContact OD1-CZ 2.92Å; D689-R910 IonicContact OD1-NH1 3.7Å; D689-R910 PolarHBondContact OD1-NH1 3.05Å; D689-R910 IonicContact OD1-NH2 3.67Å; D689-R910 PolarHBondContact OD1-NH2 3.03Å; D689-R910 IonicContact OD2-CZ 3.87Å; D689-R910 IonicContact OD2-NH1 2.73Å; D689-R910 IonicContact OD2-NH2 3.44Å; D689-R910 PolarHBondContact OD2-NH2 2.71Å
690H60.8Low73.7Confident31 Ų3138.7 Ų38.714%0.14420%0.196CC..THydrogen-bonded Turntrans-121-21.6-163.8-55-52.4000114.7N322 S688 Q711 K716 I718 V739N322-H690 PolarHBondContact ND2-CE1 3.39Å; N322-H690 VanDerWaalsContact ND2-CE1 3.32Å; N322-H690 PolarHBondContact ND2-NE2 3.31Å; S688-H690 PolarHBondContact O-N 3.04Å; H690-Q711 VanDerWaalsContact CA-OE1 3.27Å; H690-Q711 VanDerWaalsContact O-CB 3.26Å; H690-Q711 WeakPolarHBondContact O-CB 3.5Å; H690-Q711 PolarHBondContact O-OE1 2.74Å; H690-K716 HydrophobicContact CB-CD 4.32Å; H690-K716 VanDerWaalsContact O-CD 3.24Å; H690-K716 WeakPolarHBondContact O-CD 3.14Å; H690-K716 WeakPolarHBondContact O-CE 3.36Å; H690-K716 PolarHBondContact O-NZ 3.13Å; H690-K716 VanDerWaalsContact O-NZ 3.17Å; H690-I718 HydrophobicContact CB-CD1 3.46Å; H690-I718 VanDerWaalsContact CB-CD1 3.46Å; H690-V739 WeakPolarHBondContact CD2-CG2 3.19Å; H690-V739 WeakPolarHBondContact NE2-CG2 3.07Å
691L71.6Confident73.5Confident7 Ų743.5 Ų43.54%0.03722%0.221CC..  trans-126.6112.7178.2-79.6175000110.7R687 W693 I694 A707 K716 I718R687-L691 VanDerWaalsContact CG-O 3.3Å; R687-L691 WeakPolarHBondContact CG-O 3.35Å; R687-L691 PolarHBondContact NE-O 2.75Å; L691-W693 VanDerWaalsContact C-N 3.33Å; L691-I694 HydrophobicContact CB-CG1 4.31Å; L691-I694 HydrophobicContact CD1-CG1 4.26Å; L691-A707 HydrophobicContact CD1-CB 3.85Å; L691-K716 HydrophobicContact CD2-CB 3.79Å; L691-K716 HydrophobicContact CD2-CG 4.35Å; L691-K716 HydrophobicContact CG-CB 4.43Å; L691-I718 HydrophobicContact CD1-CB 4.26Å; L691-I718 HydrophobicContact CD1-CD1 3.69Å; L691-I718 HydrophobicContact CD1-CG1 3.92Å; L691-I718 HydrophobicContact CG-CD1 3.63Å; L691-I718 HydrophobicContact CG-CG1 4.26Å
692T75.6Confident72.9Confident49 Ų4947 Ų4730%0.30124%0.24SC..SBendtrans-77-29.2176.154.20000113.1G666 R687 F710 Q711G666-T692 PolarHBondContact N-O 2.72Å; R687-T692 VanDerWaalsContact NH2-C 3.29Å; R687-T692 PolarHBondContact NH2-O 3.27Å; T692-F710 WeakPolarHBondContact CA-O 3.33Å; T692-F710 PolarHBondContact N-O 2.89Å; T692-F710 PolarHBondContact OG1-O 2.84Å; T692-Q711 HydrophobicContact CG2-CB 4.46Å; T692-Q711 HydrophobicContact CG2-CG 4.1Å; T692-Q711 WeakPolarHBondContact OG1-CA 3.17Å
693W82Confident72.8Confident25 Ų2548.8 Ų48.810%0.09525%0.249CC..EExtended strand (participates in β ladder)trans-144.7122.1-171.1159.511000105.5R663 L691 E695 G709 F710 G752R663-W693 HydrophobicContact CB-CG 4.17Å; R663-W693 HydrophobicContact CG-CD2 4.35Å; R663-W693 HydrophobicContact CG-CG 4.19Å; L691-W693 VanDerWaalsContact C-N 3.33Å; W693-E695 VanDerWaalsContact CE2-OE2 3.25Å; W693-E695 HydrophobicContact CZ2-CG 4.49Å; W693-E695 VanDerWaalsContact CZ2-OE2 3.3Å; W693-E695 WeakPolarHBondContact CZ2-OE2 3.3Å; W693-E695 PolarHBondContact NE1-OE2 3.46Å; W693-G709 CarbonylContact O-C 3.59Å; W693-G709 WeakPolarHBondContact O-CA 3.36Å; W693-F710 HydrophobicContact CD2-CD2 4.14Å; W693-F710 HydrophobicContact CE3-CB 4.31Å; W693-F710 HydrophobicContact CE3-CD2 4.27Å; W693-F710 PolarHBondContact N-O 3.4Å; W693-F710 VanDerWaalsContact N-O 3.17Å; W693-F710 PolarHBondContact O-N 2.95Å; W693-G752 VanDerWaalsContact CH2-C 3.43Å; W693-G752 WeakPolarHBondContact CH2-O 2.76Å
694I88.6Confident72.9Confident5 Ų551.4 Ų51.43%0.02626%0.255CS..EExtended strand (participates in β ladder)trans-97.8120.5170.1-56.5172.8000107.2T645 C661 G662 G666 V668 L691 L697 A707T645-I694 WeakPolarHBondContact CB-O 3.22Å; T645-I694 PolarHBondContact OG1-O 2.86Å; C661-I694 HydrophobicContact CB-CB 4.07Å; C661-I694 HydrophobicContact CB-CD1 4.34Å; C661-I694 HydrophobicContact CB-CG2 4.07Å; C661-I694 VanDerWaalsContact SG-CG2 3.51Å; G662-I694 PolarHBondContact O-N 3.3Å; G666-I694 WeakPolarHBondContact O-CD1 3.38Å; V668-I694 HydrophobicContact CG2-CD1 3.38Å; L691-I694 HydrophobicContact CB-CG1 4.31Å; L691-I694 HydrophobicContact CD1-CG1 4.26Å; I694-L697 HydrophobicContact CG2-CD2 4.27Å; I694-A707 HydrophobicContact CD1-CB 4.25Å; I694-A707 HydrophobicContact CG1-CB 4.48Å; I694-A707 HydrophobicContact CG2-CB 4.11Å
695E89.7Confident73.3Confident47 Ų4750.8 Ų50.822%0.2225%0.251CS..EExtended strand (participates in β ladder)trans-95.7-33.4-179.7-173.761.9-179.300111.6T645 W693 L708 F710 W756T645-E695 WeakPolarHBondContact CG2-OE2 3.24Å; W693-E695 VanDerWaalsContact CE2-OE2 3.25Å; W693-E695 HydrophobicContact CZ2-CG 4.49Å; W693-E695 VanDerWaalsContact CZ2-OE2 3.3Å; W693-E695 WeakPolarHBondContact CZ2-OE2 3.3Å; W693-E695 PolarHBondContact NE1-OE2 3.46Å; E695-L708 PolarHBondContact N-O 3.11Å; E695-F710 HydrophobicContact CB-CE2 4.25Å; E695-W756 HydrophobicContact CB-CZ2 3.93Å; E695-W756 HydrophobicContact CG-CZ2 3.67Å
696K89.6Confident73.8Confident86 Ų8649.9 Ų49.937%0.37425%0.246SC..EExtended strand (participates in β ladder)trans-145.1140.2-179.4-166.9170.9-178.3-179.50111.8L708K696-L708 HydrophobicContact CB-CB 4.24Å; K696-L708 HydrophobicContact CB-CD1 4.31Å; K696-L708 PolarHBondContact N-O 3.39Å; K696-L708 PolarHBondContact O-N 3.41Å
697L89.2Confident75.1Confident7 Ų747.4 Ų47.44%0.03723%0.233CC..EExtended strand (participates in β ladder)trans-98.2129.8163-65.6171.8000107.7S646 L648 L659 C661 V668 I694 Y706 A707 L720S646-L697 PolarHBondContact OG-N 3.22Å; L648-L697 HydrophobicContact CB-CB 4Å; L648-L697 HydrophobicContact CB-CD1 4.21Å; L648-L697 HydrophobicContact CD2-CB 4.37Å; L659-L697 HydrophobicContact CB-CD1 3.67Å; L659-L697 HydrophobicContact CD1-CD1 4.38Å; C661-L697 HydrophobicContact CB-CD1 4.44Å; V668-L697 HydrophobicContact CG1-CD1 4.28Å; V668-L697 HydrophobicContact CG2-CD2 4.48Å; I694-L697 HydrophobicContact CG2-CD2 4.27Å; L697-Y706 WeakPolarHBondContact CA-O 3.35Å; L697-A707 HydrophobicContact CD2-CB 4.23Å; L697-L720 HydrophobicContact CD2-CD1 3.75Å
698Y85.2Confident76.5Confident56 Ų5643.7 Ų43.722%0.2222%0.219CC..EExtended strand (participates in β ladder)trans-123.9126.8-177.2177.6-98000110.2I705 Y706 W758 L760Y698-I705 CarbonylContact O-C 3.56Å; Y698-I705 WeakPolarHBondContact O-CA 3.23Å; Y698-Y706 HydrophobicContact CD1-CD2 4.07Å; Y698-Y706 PolarHBondContact N-O 3.3Å; Y698-Y706 PolarHBondContact O-N 3.49Å; Y698-W758 AromaticContact CD1-CH2 3.52Å; Y698-W758 HydrophobicContact CD1-CH2 3.52Å; Y698-W758 AromaticContact CD1-CZ3 3.34Å; Y698-W758 HydrophobicContact CD1-CZ3 3.34Å; Y698-W758 AromaticContact CD2-CZ3 3.85Å; Y698-W758 HydrophobicContact CD2-CZ3 3.85Å; Y698-W758 AromaticContact CE1-CH2 3.6Å; Y698-W758 HydrophobicContact CE1-CH2 3.6Å; Y698-W758 AromaticContact CE1-CZ3 3.48Å; Y698-W758 HydrophobicContact CE1-CZ3 3.48Å; Y698-W758 VanDerWaalsContact CE1-CZ3 3.48Å; Y698-W758 AromaticContact CE2-CZ3 3.99Å; Y698-W758 HydrophobicContact CE2-CZ3 3.99Å; Y698-W758 HydrophobicContact CG-CE3 4.5Å; Y698-W758 HydrophobicContact CG-CH2 4.14Å; Y698-W758 AromaticContact CG-CZ3 3.51Å; Y698-W758 HydrophobicContact CG-CZ3 3.51Å; Y698-W758 AromaticContact CZ-CZ3 3.81Å; Y698-L760 HydrophobicContact CE1-CD2 4.3Å
699L84Confident78.2Confident71 Ų7141.5 Ų41.537%0.37220%0.204SC..EExtended strand (participates in β ladder)trans-96.9119.3170.6-176.769.1000108.3L648 R704 I705L648-L699 HydrophobicContact CD1-CB 3.9Å; L648-L699 HydrophobicContact CD2-CB 4.18Å; L699-R704 WeakPolarHBondContact CA-O 3.14Å; L699-I705 HydrophobicContact CD1-CG1 3.81Å
700S75.3Confident79.8Confident6 Ų637.2 Ų37.24%0.04218%0.181CC..  trans-81.4165.1173.454.10000111.6D702 N703 R704S700-D702 WeakPolarHBondContact CB-OD1 3.43Å; S700-D702 PolarHBondContact O-N 2.82Å; S700-D702 PolarHBondContact OG-OD1 3.35Å; S700-N703 WeakPolarHBondContact O-CA 2.94Å; S700-N703 PolarHBondContact O-N 3.2Å; S700-R704 PolarHBondContact N-O 2.67Å; S700-R704 WeakPolarHBondContact OG-CA 3.49Å; S700-R704 WeakPolarHBondContact OG-CB 3.33Å; S700-R704 PolarHBondContact OG-N 3.32Å; S700-R704 VanDerWaalsContact OG-N 3.13Å; S700-R704 PolarHBondContact OG-O 2.95Å
701I72.4Confident80.8Confident134 Ų13438.4 Ų38.469%0.68719%0.187SC*.THydrogen-bonded Turntrans-62.3-28.1-178.3-61170.8000112N703 S762I701-N703 PolarHBondContact O-N 3.34Å; I701-S762 VanDerWaalsContact CD1-CB 3.42Å
702D65Low81.2Confident84 Ų8442.7 Ų42.745%0.44922%0.217SC..THydrogen-bonded Turntrans-83.717.7173.468.8-29.6000113.3S700 R704S700-D702 WeakPolarHBondContact CB-OD1 3.43Å; S700-D702 PolarHBondContact O-N 2.82Å; S700-D702 PolarHBondContact OG-OD1 3.35Å; D702-R704 PolarHBondContact O-N 3.34Å; D702-R704 WeakPolarHBondContact OD2-CD 3.46Å; D702-R704 WeakPolarHBondContact OD2-CG 3.28Å; D702-R704 IonicContact OD2-CZ 2.9Å; D702-R704 IonicContact OD2-NE 2.76Å; D702-R704 PolarHBondContact OD2-NE 3.3Å; D702-R704 IonicContact OD2-NH2 3.64Å
703N70.1Confident81.5Confident86 Ų8644.4 Ų44.446%0.4622%0.22SC..SBendtrans60.619.9-179.4-64.3-30.5000115S700 I701 L725S700-N703 WeakPolarHBondContact O-CA 2.94Å; S700-N703 PolarHBondContact O-N 3.2Å; I701-N703 PolarHBondContact O-N 3.34Å; N703-L725 HydrophobicContact CB-CD1 3.97Å; N703-L725 WeakPolarHBondContact O-CD1 3.03Å
704R71.3Confident81.4Confident75 Ų7547.5 Ų47.528%0.28323%0.233SC..  trans-80.8138.5171.3-59.4179.2-167.7-169.1-2110.2L699 S700 D702 Y706L699-R704 WeakPolarHBondContact CA-O 3.14Å; S700-R704 PolarHBondContact N-O 2.67Å; S700-R704 WeakPolarHBondContact OG-CA 3.49Å; S700-R704 WeakPolarHBondContact OG-CB 3.33Å; S700-R704 PolarHBondContact OG-N 3.32Å; S700-R704 VanDerWaalsContact OG-N 3.13Å; S700-R704 PolarHBondContact OG-O 2.95Å; D702-R704 PolarHBondContact O-N 3.34Å; D702-R704 WeakPolarHBondContact OD2-CD 3.46Å; D702-R704 WeakPolarHBondContact OD2-CG 3.28Å; D702-R704 IonicContact OD2-CZ 2.9Å; D702-R704 IonicContact OD2-NE 2.76Å; D702-R704 PolarHBondContact OD2-NE 3.3Å; D702-R704 IonicContact OD2-NH2 3.64Å; R704-Y706 HydrophobicContact CB-CD2 4.41Å; R704-Y706 HydrophobicContact CB-CE2 3.73Å
705I78.4Confident81.2Confident1 Ų147.2 Ų47.21%0.00523%0.232CC..EExtended strand (participates in β ladder)trans-99.3123176.8-54.6179.5000107.8L648 I650 L659 Y698 L699 S719 L720 N721 W733L648-I705 HydrophobicContact CD2-CB 4.46Å; L648-I705 HydrophobicContact CD2-CD1 4.05Å; L648-I705 HydrophobicContact CD2-CG1 4.09Å; L648-I705 HydrophobicContact CD2-CG2 3.63Å; I650-I705 HydrophobicContact CD1-CD1 3.59Å; I650-I705 HydrophobicContact CG1-CD1 4.23Å; L659-I705 HydrophobicContact CD1-CD1 3.99Å; L659-I705 HydrophobicContact CD1-CG2 4.22Å; Y698-I705 CarbonylContact O-C 3.56Å; Y698-I705 WeakPolarHBondContact O-CA 3.23Å; L699-I705 HydrophobicContact CD1-CG1 3.81Å; I705-S719 CarbonylContact O-C 3.5Å; I705-L720 HydrophobicContact CB-CB 4.26Å; I705-L720 HydrophobicContact CG2-CB 4.33Å; I705-L720 HydrophobicContact CG2-CD1 3.91Å; I705-L720 HydrophobicContact CG2-CG 4.48Å; I705-L720 WeakPolarHBondContact O-CB 3.23Å; I705-L720 PolarHBondContact O-N 2.77Å; I705-N721 WeakPolarHBondContact CD1-ND2 3.47Å; I705-W733 HydrophobicContact CD1-CH2 4.13Å
706Y79.6Confident80.9Confident5 Ų545.8 Ų45.82%0.0223%0.225CC..EExtended strand (participates in β ladder)trans-107.9130.7174.5-65.1-90.4000110.6L697 Y698 R704 I718 L760 L822L697-Y706 WeakPolarHBondContact CA-O 3.35Å; Y698-Y706 HydrophobicContact CD1-CD2 4.07Å; Y698-Y706 PolarHBondContact N-O 3.3Å; Y698-Y706 PolarHBondContact O-N 3.49Å; R704-Y706 HydrophobicContact CB-CD2 4.41Å; R704-Y706 HydrophobicContact CB-CE2 3.73Å; Y706-I718 CarbonylContact C-O 3.57Å; Y706-I718 WeakPolarHBondContact CA-O 3.39Å; Y706-L760 HydrophobicContact CE2-CD2 4.4Å; Y706-L822 HydrophobicContact CE1-CD2 4Å; Y706-L822 VanDerWaalsContact OH-CD2 3.3Å; Y706-L822 WeakPolarHBondContact OH-CD2 2.92Å
707A85Confident80.5Confident1 Ų141.8 Ų41.81%0.00821%0.207CC..EExtended strand (participates in β ladder)trans-86.8114.5162.900000109.1L691 I694 L697 A717 I718 L720L691-A707 HydrophobicContact CD1-CB 3.85Å; I694-A707 HydrophobicContact CD1-CB 4.25Å; I694-A707 HydrophobicContact CG1-CB 4.48Å; I694-A707 HydrophobicContact CG2-CB 4.11Å; L697-A707 HydrophobicContact CD2-CB 4.23Å; A707-A717 CarbonylContact O-C 3.5Å; A707-A717 WeakPolarHBondContact O-CA 3.39Å; A707-I718 PolarHBondContact N-O 3.07Å; A707-I718 PolarHBondContact O-N 3.17Å; A707-L720 HydrophobicContact CB-CD1 4.1Å; A707-L720 HydrophobicContact CB-CD2 3.93Å; A707-L720 HydrophobicContact CB-CG 3.97Å
708L88.6Confident79.8Confident2 Ų242.2 Ų42.21%0.0121%0.209CC..EExtended strand (participates in β ladder)trans-98.7127.3175-50.1-177.5000108.8E695 K696 F715 K716 A717 W756 W758E695-L708 PolarHBondContact N-O 3.11Å; K696-L708 HydrophobicContact CB-CB 4.24Å; K696-L708 HydrophobicContact CB-CD1 4.31Å; K696-L708 PolarHBondContact N-O 3.39Å; K696-L708 PolarHBondContact O-N 3.41Å; L708-F715 HydrophobicContact CB-CE2 4.08Å; L708-F715 HydrophobicContact CB-CZ 4.08Å; L708-F715 HydrophobicContact CD2-CZ 4.18Å; L708-K716 WeakPolarHBondContact CA-O 3.49Å; L708-A717 HydrophobicContact CD2-CB 3.3Å; L708-W756 HydrophobicContact CB-CH2 4.29Å; L708-W756 HydrophobicContact CD1-CH2 4.46Å; L708-W758 HydrophobicContact CD1-CD2 3.99Å; L708-W758 HydrophobicContact CD1-CE3 3.53Å; L708-W758 HydrophobicContact CD1-CG 4.45Å; L708-W758 HydrophobicContact CD1-CZ3 4Å; L708-W758 HydrophobicContact CD2-CD2 4.24Å; L708-W758 HydrophobicContact CD2-CE3 4.3Å; L708-W758 HydrophobicContact CD2-CH2 4.45Å; L708-W758 HydrophobicContact CD2-CZ2 4.42Å; L708-W758 HydrophobicContact CD2-CZ3 4.41Å
709G88.3Confident79.1Confident0 Ų040.6 Ų40.60%021%0.207CC..EExtended strand (participates in β ladder)trans-173.2-163.4-175.400000114.3W693 F715 K716W693-G709 CarbonylContact O-C 3.59Å; W693-G709 WeakPolarHBondContact O-CA 3.36Å; G709-F715 CarbonylContact O-C 3.54Å; G709-F715 WeakPolarHBondContact O-CA 3.46Å; G709-F715 WeakPolarHBondContact O-CD2 3.3Å; G709-K716 PolarHBondContact N-O 3.43Å; G709-K716 PolarHBondContact O-N 2.81Å
710F86.4Confident78.3Confident3 Ų338.6 Ų38.61%0.01320%0.196CC..EExtended strand (participates in β ladder)trans-131.3143.5-171.9-59.6-86.8000112.6T692 W693 E695 Y714 F715 G752 W756T692-F710 WeakPolarHBondContact CA-O 3.33Å; T692-F710 PolarHBondContact N-O 2.89Å; T692-F710 PolarHBondContact OG1-O 2.84Å; W693-F710 HydrophobicContact CD2-CD2 4.14Å; W693-F710 HydrophobicContact CE3-CB 4.31Å; W693-F710 HydrophobicContact CE3-CD2 4.27Å; W693-F710 PolarHBondContact N-O 3.4Å; W693-F710 VanDerWaalsContact N-O 3.17Å; W693-F710 PolarHBondContact O-N 2.95Å; E695-F710 HydrophobicContact CB-CE2 4.25Å; F710-Y714 CarbonylContact C-O 3.49Å; F710-Y714 VanDerWaalsContact CA-O 3.26Å; F710-Y714 WeakPolarHBondContact CA-O 3.5Å; F710-F715 HydrophobicContact CD1-CB 4.11Å; F710-F715 HydrophobicContact CD1-CD2 4.32Å; F710-F715 HydrophobicContact CE1-CB 3.78Å; F710-F715 AromaticContact CE1-CD2 3.69Å; F710-F715 HydrophobicContact CE1-CD2 3.69Å; F710-F715 HydrophobicContact CE1-CG 4.23Å; F710-F715 HydrophobicContact CE2-CD2 4.3Å; F710-F715 AromaticContact CZ-CD2 3.67Å; F710-F715 HydrophobicContact CZ-CD2 3.67Å; F710-F715 HydrophobicContact CZ-CE2 4.41Å; F710-G752 VanDerWaalsContact CD1-N 3.34Å; F710-G752 VanDerWaalsContact CD2-CA 3.48Å; F710-G752 VanDerWaalsContact CE2-CA 3.48Å; F710-G752 VanDerWaalsContact CG-CA 3.43Å; F710-G752 VanDerWaalsContact CZ-CA 3.42Å; F710-W756 AromaticContact CE2-CE2 3.87Å; F710-W756 HydrophobicContact CE2-CZ2 4.07Å; F710-W756 AromaticContact CE2-NE1 3.58Å; F710-W756 AromaticContact CZ-CD1 3.65Å; F710-W756 HydrophobicContact CZ-CD2 4.14Å; F710-W756 AromaticContact CZ-CE2 3.68Å; F710-W756 HydrophobicContact CZ-CG 4.14Å; F710-W756 HydrophobicContact CZ-CZ2 4.24Å; F710-W756 AromaticContact CZ-NE1 3.36Å
711Q80.4Confident77.5Confident56 Ų5638.8 Ų38.826%0.26220%0.196SC..EExtended strand (participates in β ladder)trans-129.9109.2163.5177.6176.522.500108.6D689 H690 T692 K713 Y714D689-Q711 PolarHBondContact O-NE2 2.73Å; D689-Q711 PolarHBondContact O-OE1 3.3Å; H690-Q711 VanDerWaalsContact CA-OE1 3.27Å; H690-Q711 VanDerWaalsContact O-CB 3.26Å; H690-Q711 WeakPolarHBondContact O-CB 3.5Å; H690-Q711 PolarHBondContact O-OE1 2.74Å; T692-Q711 HydrophobicContact CG2-CB 4.46Å; T692-Q711 HydrophobicContact CG2-CG 4.1Å; T692-Q711 WeakPolarHBondContact OG1-CA 3.17Å; Q711-K713 PolarHBondContact O-N 3.26Å; Q711-Y714 PolarHBondContact N-O 3.09Å; Q711-Y714 PolarHBondContact O-N 2.85Å
712S80.3Confident76.2Confident97 Ų9735.9 Ų35.968%0.67818%0.18SC*.THydrogen-bonded Turntrans55.4-120.4-173.6-176.20000110.4G751S712-G751 WeakPolarHBondContact O-CA 3.41Å
713K82.1Confident75.2Confident85 Ų8539.6 Ų39.637%0.3719%0.192SC..THydrogen-bonded Turntrans-83-9.517862.8177.6-174.81510115.2Q711 D748 C749 G750 G751Q711-K713 PolarHBondContact O-N 3.26Å; K713-D748 WeakPolarHBondContact CD-OD1 3.4Å; K713-D748 WeakPolarHBondContact CD-OD2 3.42Å; K713-D748 WeakPolarHBondContact CE-OD2 3.37Å; K713-D748 IonicContact NZ-OD2 3.44Å; K713-D748 PolarHBondContact NZ-OD2 3.23Å; K713-C749 PolarHBondContact O-N 2.92Å; K713-C749 PolarHBondContact O-SG 3.05Å; K713-C749 VanDerWaalsContact O-SG 3.39Å; K713-G750 PolarHBondContact O-N 3.04Å; K713-G750 VanDerWaalsContact O-N 3.09Å; K713-G751 PolarHBondContact O-N 2.99Å
714Y80.6Confident73.7Confident90 Ų9036.8 Ų36.835%0.35318%0.179SC..EExtended strand (participates in β ladder)trans-93.6131.8-175.1-57-76.4000111.8F710 Q711 I746 V747 D748F710-Y714 CarbonylContact C-O 3.49Å; F710-Y714 VanDerWaalsContact CA-O 3.26Å; F710-Y714 WeakPolarHBondContact CA-O 3.5Å; Q711-Y714 PolarHBondContact N-O 3.09Å; Q711-Y714 PolarHBondContact O-N 2.85Å; Y714-I746 HydrophobicContact CD1-CG2 4.18Å; Y714-I746 HydrophobicContact CG-CG2 4.39Å; Y714-V747 CarbonylContact C-O 3.51Å; Y714-V747 VanDerWaalsContact CA-O 3.25Å; Y714-V747 WeakPolarHBondContact CA-O 3.09Å; Y714-D748 HydrophobicContact CD1-CB 3.88Å; Y714-D748 HydrophobicContact CE1-CB 3.8Å
715F84.7Confident71.9Confident0 Ų036.7 Ų36.70%018%0.183CC..EExtended strand (participates in β ladder)trans-77.9139.9158.2174.6-103.3000108.8L708 G709 F710 F745 I746 V747 W756 W758 F803L708-F715 HydrophobicContact CB-CE2 4.08Å; L708-F715 HydrophobicContact CB-CZ 4.08Å; L708-F715 HydrophobicContact CD2-CZ 4.18Å; G709-F715 CarbonylContact O-C 3.54Å; G709-F715 WeakPolarHBondContact O-CA 3.46Å; G709-F715 WeakPolarHBondContact O-CD2 3.3Å; F710-F715 HydrophobicContact CD1-CB 4.11Å; F710-F715 HydrophobicContact CD1-CD2 4.32Å; F710-F715 HydrophobicContact CE1-CB 3.78Å; F710-F715 AromaticContact CE1-CD2 3.69Å; F710-F715 HydrophobicContact CE1-CD2 3.69Å; F710-F715 HydrophobicContact CE1-CG 4.23Å; F710-F715 HydrophobicContact CE2-CD2 4.3Å; F710-F715 AromaticContact CZ-CD2 3.67Å; F710-F715 HydrophobicContact CZ-CD2 3.67Å; F710-F715 HydrophobicContact CZ-CE2 4.41Å; F715-F745 AromaticContact CD1-CD1 3.7Å; F715-F745 HydrophobicContact CD1-CD1 3.7Å; F715-F745 AromaticContact CD1-CE1 3.78Å; F715-F745 HydrophobicContact CD1-CE1 3.78Å; F715-F745 AromaticContact CE1-CD1 3.61Å; F715-F745 HydrophobicContact CE1-CD1 3.61Å; F715-F745 AromaticContact CE1-CE1 3.85Å; F715-F745 HydrophobicContact CE1-CE1 3.85Å; F715-I746 WeakPolarHBondContact O-CA 3.42Å; F715-V747 PolarHBondContact N-O 3.27Å; F715-V747 PolarHBondContact O-N 2.83Å; F715-W756 HydrophobicContact CE2-CE3 4.03Å; F715-W756 AromaticContact CE2-CH2 3.88Å; F715-W756 HydrophobicContact CE2-CH2 3.88Å; F715-W756 HydrophobicContact CE2-CZ2 4.38Å; F715-W756 AromaticContact CE2-CZ3 3.68Å; F715-W756 HydrophobicContact CE2-CZ3 3.68Å; F715-W756 HydrophobicContact CZ-CE3 4.48Å; F715-W756 HydrophobicContact CZ-CZ3 4.03Å; F715-W758 HydrophobicContact CE1-CG 4.45Å; F715-W758 HydrophobicContact CZ-CB 4.25Å; F715-W758 HydrophobicContact CZ-CG 4.27Å; F715-F803 HydrophobicContact CB-CD2 4.5Å; F715-F803 HydrophobicContact CB-CE1 4.46Å; F715-F803 HydrophobicContact CB-CE2 3.91Å; F715-F803 HydrophobicContact CB-CZ 3.88Å; F715-F803 AromaticContact CD1-CD2 3.48Å; F715-F803 HydrophobicContact CD1-CD2 3.48Å; F715-F803 VanDerWaalsContact CD1-CD2 3.48Å; F715-F803 AromaticContact CD1-CE2 3.63Å; F715-F803 HydrophobicContact CD1-CE2 3.63Å; F715-F803 HydrophobicContact CD1-CG 4.12Å; F715-F803 HydrophobicContact CD1-CZ 4.38Å; F715-F803 HydrophobicContact CD2-CD2 4.18Å; F715-F803 AromaticContact CD2-CE2 3.55Å; F715-F803 HydrophobicContact CD2-CE2 3.55Å; F715-F803 HydrophobicContact CD2-CZ 4.26Å; F715-F803 AromaticContact CE1-CD2 3.56Å; F715-F803 HydrophobicContact CE1-CD2 3.56Å; F715-F803 AromaticContact CE1-CE2 3.96Å; F715-F803 HydrophobicContact CE1-CE2 3.96Å; F715-F803 HydrophobicContact CE1-CG 4.39Å; F715-F803 HydrophobicContact CE2-CD2 4.24Å; F715-F803 AromaticContact CE2-CE2 3.88Å; F715-F803 HydrophobicContact CE2-CE2 3.88Å; F715-F803 AromaticContact CG-CD2 3.8Å; F715-F803 HydrophobicContact CG-CD2 3.8Å; F715-F803 AromaticContact CG-CE2 3.4Å; F715-F803 HydrophobicContact CG-CE2 3.4Å; F715-F803 VanDerWaalsContact CG-CE2 3.4Å; F715-F803 AromaticContact CG-CZ 3.92Å; F715-F803 HydrophobicContact CG-CZ 3.92Å; F715-F803 AromaticContact CZ-CD2 3.94Å; F715-F803 HydrophobicContact CZ-CD2 3.94Å; F715-F803 HydrophobicContact CZ-CE2 4.06Å
716K82.9Confident70Confident17 Ų1745.5 Ų45.57%0.07423%0.225CC..EExtended strand (participates in β ladder)trans-135136.8170.2-47-167.8-173.8174.80112.1H690 L691 L708 G709 I718 F745 I746H690-K716 HydrophobicContact CB-CD 4.32Å; H690-K716 VanDerWaalsContact O-CD 3.24Å; H690-K716 WeakPolarHBondContact O-CD 3.14Å; H690-K716 WeakPolarHBondContact O-CE 3.36Å; H690-K716 PolarHBondContact O-NZ 3.13Å; H690-K716 VanDerWaalsContact O-NZ 3.17Å; L691-K716 HydrophobicContact CD2-CB 3.79Å; L691-K716 HydrophobicContact CD2-CG 4.35Å; L691-K716 HydrophobicContact CG-CB 4.43Å; L708-K716 WeakPolarHBondContact CA-O 3.49Å; G709-K716 PolarHBondContact N-O 3.43Å; G709-K716 PolarHBondContact O-N 2.81Å; K716-I718 HydrophobicContact CB-CG1 4.23Å; K716-F745 CarbonylContact C-O 3.57Å; K716-F745 WeakPolarHBondContact CA-O 2.98Å; K716-I746 HydrophobicContact CB-CG1 4.45Å; K716-I746 HydrophobicContact CD-CD1 4.03Å; K716-I746 HydrophobicContact CD-CG1 3.98Å; K716-I746 HydrophobicContact CG-CG1 4Å; K716-I746 HydrophobicContact CG-CG2 4.24Å
717A80.1Confident67.8Low1 Ų148.9 Ų48.91%0.00825%0.253CS..EExtended strand (participates in β ladder)trans-101.3128.2157.900000107.7A707 L708 C744 F745A707-A717 CarbonylContact O-C 3.5Å; A707-A717 WeakPolarHBondContact O-CA 3.39Å; L708-A717 HydrophobicContact CD2-CB 3.3Å; A717-C744 CarbonylContact O-C 3.47Å; A717-C744 VanDerWaalsContact O-CA 3.24Å; A717-C744 WeakPolarHBondContact O-CA 3.46Å; A717-F745 HydrophobicContact CB-CB 3.86Å; A717-F745 PolarHBondContact N-O 2.78Å; A717-F745 PolarHBondContact O-N 3.3Å
718I74.8Confident65.2Low16 Ų1652.2 Ų52.28%0.08228%0.281CS..EExtended strand (participates in β ladder)trans-126.5124.9178.6-58.4-176.3000108.1H690 L691 Y706 A707 K716 L720H690-I718 HydrophobicContact CB-CD1 3.46Å; H690-I718 VanDerWaalsContact CB-CD1 3.46Å; L691-I718 HydrophobicContact CD1-CB 4.26Å; L691-I718 HydrophobicContact CD1-CD1 3.69Å; L691-I718 HydrophobicContact CD1-CG1 3.92Å; L691-I718 HydrophobicContact CG-CD1 3.63Å; L691-I718 HydrophobicContact CG-CG1 4.26Å; Y706-I718 CarbonylContact C-O 3.57Å; Y706-I718 WeakPolarHBondContact CA-O 3.39Å; A707-I718 PolarHBondContact N-O 3.07Å; A707-I718 PolarHBondContact O-N 3.17Å; K716-I718 HydrophobicContact CB-CG1 4.23Å; I718-L720 PolarHBondContact O-N 2.67Å
719S71.9Confident62.7Low23 Ų2356.5 Ų56.516%0.16130%0.304CS..EExtended strand (participates in β ladder)trans-64.5124170-173.10000109.9I705 N721 G743I705-S719 CarbonylContact O-C 3.5Å; S719-N721 PolarHBondContact OG-N 2.88Å; S719-N721 PolarHBondContact OG-O 3.4Å; S719-G743 PolarHBondContact N-O 2.79Å
720L67.3Low60.4Low28 Ų2861.1 Ų61.115%0.14733%0.326CS..SBendtrans-79.4-24.3171.9-67.2-176.3000111.3V668 L697 I705 A707 I718 F735V668-L720 HydrophobicContact CG2-CD1 4.49Å; L697-L720 HydrophobicContact CD2-CD1 3.75Å; I705-L720 HydrophobicContact CB-CB 4.26Å; I705-L720 HydrophobicContact CG2-CB 4.33Å; I705-L720 HydrophobicContact CG2-CD1 3.91Å; I705-L720 HydrophobicContact CG2-CG 4.48Å; I705-L720 WeakPolarHBondContact O-CB 3.23Å; I705-L720 PolarHBondContact O-N 2.77Å; A707-L720 HydrophobicContact CB-CD1 4.1Å; A707-L720 HydrophobicContact CB-CD2 3.93Å; A707-L720 HydrophobicContact CB-CG 3.97Å; I718-L720 PolarHBondContact O-N 2.67Å; L720-F735 HydrophobicContact CB-CE1 3.7Å; L720-F735 HydrophobicContact CB-CZ 4.01Å; L720-F735 HydrophobicContact CD2-CE1 3.86Å; L720-F735 HydrophobicContact CD2-CZ 4.47Å; L720-F735 HydrophobicContact CG-CE1 4.31Å; L720-F735 WeakPolarHBondContact O-CE1 3.4Å
721N58.1Low58.3Low10 Ų1062.3 Ų62.35%0.05333%0.332CS..  trans-132.7125.4-171.5-69-5.7000112.4I705 S719 W733I705-N721 WeakPolarHBondContact CD1-ND2 3.47Å; S719-N721 PolarHBondContact OG-N 2.88Å; S719-N721 PolarHBondContact OG-O 3.4Å; N721-W733 WeakPolarHBondContact OD1-CZ3 3.23Å
722H45.3Very low56.4Low74 Ų7460.9 Ų60.934%0.34333%0.326SS..SBendtrans-127.7115.2161.7-136.9-87.4000107.6
723K43.7Very low54.8Low162 Ų16258 Ų5870%0.70430%0.301SS*.SBendtrans85.1-6.6179.1-60.2-174.7176.7178.90121.1L725K723-L725 VanDerWaalsContact C-N 3.32Å; K723-L725 PolarHBondContact O-N 3.14Å
724C37.7Very low52.7Low27 Ų2756.4 Ų56.418%0.18230%0.3CS..THydrogen-bonded Turntrans-82.310.3-173.2-61.80000116.9D732C724-D732 HydrophobicContact CB-CB 4.19Å; C724-D732 WeakPolarHBondContact CB-O 3.47Å; C724-D732 PolarHBondContact SG-O 3.32Å
725L34.6Very low50.8Low72 Ų7255.3 Ų55.338%0.37730%0.297SS..THydrogen-bonded Turntrans-120.89-175.6-80.2152.3000114.7N703 K723 L731N703-L725 HydrophobicContact CB-CD1 3.97Å; N703-L725 WeakPolarHBondContact O-CD1 3.03Å; K723-L725 VanDerWaalsContact C-N 3.32Å; K723-L725 PolarHBondContact O-N 3.14Å; L725-L731 HydrophobicContact CD2-CD2 4.29Å
726Q37.3Very low48.6Very low186 Ų18656.9 Ų56.987%0.86931%0.307SS*.SBendtrans-87.2-13.5-179.9-76.1-172.2-15.500114.7
727A33.3Very low46Very low76 Ų7659.3 Ų59.363%0.62833%0.325SS*.SBendtrans-111.5115.217100000109.4N729A727-N729 PolarHBondContact O-N 3.44Å; A727-N729 VanDerWaalsContact O-N 3.15Å
728A31.3Very low43.8Very low71 Ų7160.9 Ų60.959%0.58734%0.335SS*.THydrogen-bonded Turntrans-51.7121.8171.500000109.4
729N36.4Very low41.8Very low93 Ų9362.6 Ų62.650%0.49735%0.346SS..THydrogen-bonded Turntrans107.34.6161.8-50.3-20.5000120Q653 A727Q653-N729 WeakPolarHBondContact CB-OD1 3.17Å; Q653-N729 VanDerWaalsContact CG-OD1 3.25Å; Q653-N729 WeakPolarHBondContact CG-OD1 3.26Å; Q653-N729 PolarHBondContact OE1-ND2 3.42Å; Q653-N729 PolarHBondContact OE1-OD1 2.78Å; A727-N729 PolarHBondContact O-N 3.44Å; A727-N729 VanDerWaalsContact O-N 3.15Å
730Q40.1Very low40.3Very low96 Ų9665.4 Ų65.445%0.44935%0.353SS..  trans-142.3111.6165-77.5-175.4-600111.5D732 N959Q730-D732 PolarHBondContact O-N 2.77Å; Q730-D732 VanDerWaalsContact O-N 3.16Å; Q730-N959 PolarHBondContact NE2-ND2 3.2Å; Q730-N959 PolarHBondContact NE2-OD1 3.28Å; Q730-N959 VanDerWaalsContact OE1-CB 3.28Å; Q730-N959 PolarHBondContact OE1-ND2 3.28Å; Q730-N959 VanDerWaalsContact OE1-ND2 3.07Å
731L41.3Very low39.1Very low28 Ų2868.8 Ų68.815%0.14737%0.369CS..  trans-70.5102.6166.3-80.6154.8000108.4I650 H657 Y670 L725 W733I650-L731 HydrophobicContact CB-CD1 4.04Å; I650-L731 HydrophobicContact CD1-CD1 3.76Å; I650-L731 HydrophobicContact CD1-CD2 4Å; I650-L731 HydrophobicContact CG2-CD1 3.76Å; I650-L731 HydrophobicContact CG2-CD2 4.23Å; I650-L731 HydrophobicContact CG2-CG 4.41Å; H657-L731 HydrophobicContact CB-CD1 4.18Å; Y670-L731 HydrophobicContact CE2-CD1 4.03Å; L725-L731 HydrophobicContact CD2-CD2 4.29Å; L731-W733 HydrophobicContact CB-CZ2 4.35Å; L731-W733 HydrophobicContact CD1-CZ2 4.16Å; L731-W733 HydrophobicContact CD2-CH2 4.45Å; L731-W733 HydrophobicContact CD2-CZ2 4.15Å; L731-W733 HydrophobicContact CG-CZ2 4.47Å
732D40.2Very low38.3Very low27 Ų2770.8 Ų70.814%0.14438%0.379CS..  trans-79.9122.4173.2-148.1-14.1000109.3C724 Q730 E960C724-D732 HydrophobicContact CB-CB 4.19Å; C724-D732 WeakPolarHBondContact CB-O 3.47Å; C724-D732 PolarHBondContact SG-O 3.32Å; Q730-D732 PolarHBondContact O-N 2.77Å; Q730-D732 VanDerWaalsContact O-N 3.16Å; D732-E960 WeakPolarHBondContact OD2-CG 3.39Å
733W47.1Very low38.5Very low37 Ų3767.4 Ų67.414%0.1436%0.364CS..  trans-111.544.9-173.9-65.9107.6000111.8I650 L659 Y670 I685 I705 N721 L731 F735I650-W733 HydrophobicContact CD1-CH2 3.79Å; I650-W733 HydrophobicContact CD1-CZ2 3.83Å; L659-W733 HydrophobicContact CD1-CH2 3.52Å; L659-W733 HydrophobicContact CD1-CZ2 4.34Å; L659-W733 HydrophobicContact CD1-CZ3 4.24Å; L659-W733 HydrophobicContact CD2-CH2 3.57Å; L659-W733 HydrophobicContact CD2-CZ2 3.69Å; L659-W733 HydrophobicContact CD2-CZ3 4.35Å; L659-W733 HydrophobicContact CG-CH2 3.84Å; L659-W733 HydrophobicContact CG-CZ2 4.18Å; Y670-W733 AromaticContact CD1-CD1 3.71Å; Y670-W733 AromaticContact CD1-NE1 3.36Å; Y670-W733 AromaticContact CD2-CE2 3.61Å; Y670-W733 AromaticContact CD2-CZ2 3.49Å; Y670-W733 HydrophobicContact CD2-CZ2 3.49Å; Y670-W733 VanDerWaalsContact CD2-CZ2 3.49Å; Y670-W733 AromaticContact CD2-NE1 3.44Å; Y670-W733 AromaticContact CE1-CD1 3.58Å; Y670-W733 AromaticContact CE1-NE1 3.13Å; Y670-W733 AromaticContact CE2-CE2 3.6Å; Y670-W733 AromaticContact CE2-CZ2 3.52Å; Y670-W733 HydrophobicContact CE2-CZ2 3.52Å; Y670-W733 AromaticContact CE2-NE1 3.17Å; Y670-W733 AromaticContact CG-CE2 3.89Å; Y670-W733 HydrophobicContact CG-CZ2 4.19Å; Y670-W733 AromaticContact CG-NE1 3.52Å; Y670-W733 AromaticContact CZ-CD1 3.92Å; Y670-W733 AromaticContact CZ-CE2 3.94Å; Y670-W733 AromaticContact CZ-NE1 3.03Å; I685-W733 HydrophobicContact CD1-CE3 4.34Å; I705-W733 HydrophobicContact CD1-CH2 4.13Å; N721-W733 WeakPolarHBondContact OD1-CZ3 3.23Å; L731-W733 HydrophobicContact CB-CZ2 4.35Å; L731-W733 HydrophobicContact CD1-CZ2 4.16Å; L731-W733 HydrophobicContact CD2-CH2 4.45Å; L731-W733 HydrophobicContact CD2-CZ2 4.15Å; L731-W733 HydrophobicContact CG-CZ2 4.47Å; W733-F735 HydrophobicContact CB-CD2 3.96Å; W733-F735 HydrophobicContact CB-CE2 3.86Å; W733-F735 AromaticContact CD2-CE2 3.73Å; W733-F735 HydrophobicContact CD2-CE2 3.73Å; W733-F735 HydrophobicContact CD2-CZ 4.35Å; W733-F735 HydrophobicContact CE3-CD2 4.17Å; W733-F735 AromaticContact CE3-CE2 3.01Å; W733-F735 HydrophobicContact CE3-CE2 3.01Å; W733-F735 AromaticContact CE3-CZ 3.23Å; W733-F735 HydrophobicContact CE3-CZ 3.23Å; W733-F735 HydrophobicContact CG-CE2 4.14Å; W733-F735 AromaticContact CZ3-CE2 3.75Å; W733-F735 HydrophobicContact CZ3-CE2 3.75Å; W733-F735 AromaticContact CZ3-CZ 3.5Å; W733-F735 HydrophobicContact CZ3-CZ 3.5Å; W733-F735 WeakPolarHBondContact O-CD2 3.31Å; W733-F735 PolarHBondContact O-N 2.88Å
734S38.9Very low39.3Very low50 Ų5060.4 Ų60.435%0.3534%0.335SS..  trans-74.374176.159.90000111.4T736S734-T736 PolarHBondContact O-N 2.79Å
735F40.6Very low40.8Very low67 Ų6759.1 Ų59.129%0.29433%0.327SS..  trans-7639.7-179-78.2-76.7000115I685 L720 W733I685-F735 HydrophobicContact CB-CD2 4.34Å; I685-F735 HydrophobicContact CB-CE2 4.35Å; I685-F735 HydrophobicContact CD1-CD2 3.98Å; I685-F735 HydrophobicContact CD1-CE2 3.23Å; I685-F735 HydrophobicContact CD1-CZ 3.76Å; I685-F735 HydrophobicContact CG1-CD2 3.74Å; I685-F735 HydrophobicContact CG1-CE2 3.54Å; I685-F735 HydrophobicContact CG1-CZ 4.4Å; I685-F735 HydrophobicContact CG2-CB 4.18Å; I685-F735 HydrophobicContact CG2-CD1 4.17Å; I685-F735 HydrophobicContact CG2-CD2 3.63Å; I685-F735 HydrophobicContact CG2-CE1 4.4Å; I685-F735 HydrophobicContact CG2-CE2 3.87Å; I685-F735 HydrophobicContact CG2-CG 3.76Å; I685-F735 HydrophobicContact CG2-CZ 4.27Å; L720-F735 HydrophobicContact CB-CE1 3.7Å; L720-F735 HydrophobicContact CB-CZ 4.01Å; L720-F735 HydrophobicContact CD2-CE1 3.86Å; L720-F735 HydrophobicContact CD2-CZ 4.47Å; L720-F735 HydrophobicContact CG-CE1 4.31Å; L720-F735 WeakPolarHBondContact O-CE1 3.4Å; W733-F735 HydrophobicContact CB-CD2 3.96Å; W733-F735 HydrophobicContact CB-CE2 3.86Å; W733-F735 AromaticContact CD2-CE2 3.73Å; W733-F735 HydrophobicContact CD2-CE2 3.73Å; W733-F735 HydrophobicContact CD2-CZ 4.35Å; W733-F735 HydrophobicContact CE3-CD2 4.17Å; W733-F735 AromaticContact CE3-CE2 3.01Å; W733-F735 HydrophobicContact CE3-CE2 3.01Å; W733-F735 AromaticContact CE3-CZ 3.23Å; W733-F735 HydrophobicContact CE3-CZ 3.23Å; W733-F735 HydrophobicContact CG-CE2 4.14Å; W733-F735 AromaticContact CZ3-CE2 3.75Å; W733-F735 HydrophobicContact CZ3-CE2 3.75Å; W733-F735 AromaticContact CZ3-CZ 3.5Å; W733-F735 HydrophobicContact CZ3-CZ 3.5Å; W733-F735 WeakPolarHBondContact O-CD2 3.31Å; W733-F735 PolarHBondContact O-N 2.88Å
736T36.8Very low42.6Very low33 Ų3358.5 Ų58.520%0.20232%0.323CS..  trans-135.542178.457.10000114.5R325 S734 Q907 H908R325-T736 PolarHBondContact NH2-O 2.75Å; S734-T736 PolarHBondContact O-N 2.79Å; T736-Q907 WeakPolarHBondContact OG1-CA 3.39Å; T736-H908 HydrophobicContact CG2-CB 3.89Å; T736-H908 WeakPolarHBondContact CG2-O 3.38Å; T736-H908 PolarHBondContact OG1-N 3.22Å
737C29.5Very low44.4Very low69 Ų6950 Ų5047%0.46628%0.284SS..SBendtrans-79.5132.5154-143.40000107.8V739 R740C737-V739 PolarHBondContact O-N 2.79Å; C737-R740 HydrophobicContact CB-CG 4.34Å; C737-R740 PolarHBondContact SG-NE 2.81Å; C737-R740 VanDerWaalsContact SG-NE 3.37Å
738P32.8Very low46.5Very low34 Ų3449.4 Ų49.422%0.22127%0.27CS..SBendtrans-49.8121.4168.921.2-30.4000106.8N322 R740 Y832N322-P738 WeakPolarHBondContact O-CB 2.93Å; P738-R740 VanDerWaalsContact C-N 3.31Å; P738-R740 PolarHBondContact O-N 3.37Å; P738-Y832 HydrophobicContact CG-CE2 4.17Å
739V33.8Very low48.8Very low51 Ų5146.3 Ų46.331%0.30924%0.244SC..  trans-27.995.7-169.7170.50000110H690 C737 Q741H690-V739 WeakPolarHBondContact CD2-CG2 3.19Å; H690-V739 WeakPolarHBondContact NE2-CG2 3.07Å; C737-V739 PolarHBondContact O-N 2.79Å; V739-Q741 PolarHBondContact O-N 3.02Å
740R40.4Very low50.7Low82 Ų8243.9 Ų43.931%0.30924%0.241SC..  trans-61.2120.7175.7-80.1-173.8171.8-143.1-10.9103.3C737 P738 D742 E829C737-R740 HydrophobicContact CB-CG 4.34Å; C737-R740 PolarHBondContact SG-NE 2.81Å; C737-R740 VanDerWaalsContact SG-NE 3.37Å; P738-R740 VanDerWaalsContact C-N 3.31Å; P738-R740 PolarHBondContact O-N 3.37Å; R740-D742 HydrophobicContact CB-CB 4.24Å; R740-D742 PolarHBondContact O-N 2.83Å; R740-D742 VanDerWaalsContact O-N 3.16Å; R740-E829 IonicContact CZ-OE1 2.84Å; R740-E829 IonicContact CZ-OE2 3.57Å; R740-E829 IonicContact NH1-OE1 3.94Å; R740-E829 PolarHBondContact NH1-OE1 2.73Å; R740-E829 IonicContact NH1-OE2 3.54Å; R740-E829 IonicContact NH2-OE1 2.63Å; R740-E829 PolarHBondContact NH2-OE1 3.02Å; R740-E829 IonicContact NH2-OE2 3.71Å; R740-E829 PolarHBondContact NH2-OE2 2.89Å
741Q41Very low52.6Low100 Ų10039.7 Ų39.747%0.46722%0.223SC..SBendtrans-54.9-28.3174.5-108.5-176.6-16.400109.1V739 G743 C744 I821V739-Q741 PolarHBondContact O-N 3.02Å; Q741-G743 PolarHBondContact O-N 2.93Å; Q741-C744 PolarHBondContact O-N 3.12Å; Q741-C744 VanDerWaalsContact O-N 3.14Å; Q741-I821 HydrophobicContact CB-CD1 3.29Å; Q741-I821 HydrophobicContact CB-CG2 4.28Å; Q741-I821 HydrophobicContact CG-CD1 3.34Å; Q741-I821 WeakPolarHBondContact O-CB 3.13Å
742D41.2Very low54.4Low52 Ų5238.9 Ų38.928%0.27822%0.222SC..THydrogen-bonded Turntrans-49.6116.6170.4-52.1-22.3000113R740 I821R740-D742 HydrophobicContact CB-CB 4.24Å; R740-D742 PolarHBondContact O-N 2.83Å; R740-D742 VanDerWaalsContact O-N 3.16Å; D742-I821 CarbonylContact C-O 3.55Å; D742-I821 WeakPolarHBondContact CA-O 3.36Å
743G50.6Low56.5Low2 Ų243.9 Ų43.92%0.02125%0.249CC..THydrogen-bonded Turntrans87.710.7175.600000115.5S719 Q741 I821S719-G743 PolarHBondContact N-O 2.79Å; Q741-G743 PolarHBondContact O-N 2.93Å; G743-I821 PolarHBondContact N-O 3.48Å
744C59.6Low58.2Low15 Ų1545.4 Ų45.410%0.10126%0.257CS..  trans-86.9126.5170.8-720000111A717 Q741 I821A717-C744 CarbonylContact O-C 3.47Å; A717-C744 VanDerWaalsContact O-CA 3.24Å; A717-C744 WeakPolarHBondContact O-CA 3.46Å; Q741-C744 PolarHBondContact O-N 3.12Å; Q741-C744 VanDerWaalsContact O-N 3.14Å; C744-I821 PolarHBondContact O-N 3.24Å
745F69.6Low60.5Low0 Ų046.6 Ų46.60%026%0.255CS..EExtended strand (participates in β ladder)trans-113124163.8175.9-98000107.1F715 K716 A717 V747 P801 F803 C820F715-F745 AromaticContact CD1-CD1 3.7Å; F715-F745 HydrophobicContact CD1-CD1 3.7Å; F715-F745 AromaticContact CD1-CE1 3.78Å; F715-F745 HydrophobicContact CD1-CE1 3.78Å; F715-F745 AromaticContact CE1-CD1 3.61Å; F715-F745 HydrophobicContact CE1-CD1 3.61Å; F715-F745 AromaticContact CE1-CE1 3.85Å; F715-F745 HydrophobicContact CE1-CE1 3.85Å; K716-F745 CarbonylContact C-O 3.57Å; K716-F745 WeakPolarHBondContact CA-O 2.98Å; A717-F745 HydrophobicContact CB-CB 3.86Å; A717-F745 PolarHBondContact N-O 2.78Å; A717-F745 PolarHBondContact O-N 3.3Å; F745-V747 HydrophobicContact CD1-CG2 3.99Å; F745-V747 HydrophobicContact CE1-CB 4.01Å; F745-V747 HydrophobicContact CE1-CG2 3.2Å; F745-V747 HydrophobicContact CE2-CG2 3.99Å; F745-V747 HydrophobicContact CZ-CB 4.43Å; F745-V747 HydrophobicContact CZ-CG2 3.23Å; F745-P801 HydrophobicContact CD2-CB 4.29Å; F745-P801 HydrophobicContact CD2-CG 3.6Å; F745-P801 HydrophobicContact CE2-CB 4.43Å; F745-P801 HydrophobicContact CE2-CG 3.98Å; F745-P801 HydrophobicContact CG-CG 4.29Å; F745-F803 HydrophobicContact CE1-CB 3.42Å; F745-F803 VanDerWaalsContact CE1-CB 3.42Å; F745-F803 HydrophobicContact CE1-CG 4.11Å; F745-F803 HydrophobicContact CZ-CB 3.54Å; F745-C820 WeakPolarHBondContact CD2-SG 3.33Å
746I72.5Confident62.9Low59 Ų5945.5 Ų45.530%0.30325%0.248SC..EExtended strand (participates in β ladder)trans-128.2128.7-178.6-56-179000109.4Y714 F715 K716Y714-I746 HydrophobicContact CD1-CG2 4.18Å; Y714-I746 HydrophobicContact CG-CG2 4.39Å; F715-I746 WeakPolarHBondContact O-CA 3.42Å; K716-I746 HydrophobicContact CB-CG1 4.45Å; K716-I746 HydrophobicContact CD-CD1 4.03Å; K716-I746 HydrophobicContact CD-CG1 3.98Å; K716-I746 HydrophobicContact CG-CG1 4Å; K716-I746 HydrophobicContact CG-CG2 4.24Å
747V74.9Confident65.5Low8 Ų844.9 Ų44.95%0.04824%0.244CC..EExtended strand (participates in β ladder)trans-139.1131.4-178169.30000110.6Y714 F715 F745 C749 F803 Q814Y714-V747 CarbonylContact C-O 3.51Å; Y714-V747 VanDerWaalsContact CA-O 3.25Å; Y714-V747 WeakPolarHBondContact CA-O 3.09Å; F715-V747 PolarHBondContact N-O 3.27Å; F715-V747 PolarHBondContact O-N 2.83Å; F745-V747 HydrophobicContact CD1-CG2 3.99Å; F745-V747 HydrophobicContact CE1-CB 4.01Å; F745-V747 HydrophobicContact CE1-CG2 3.2Å; F745-V747 HydrophobicContact CE2-CG2 3.99Å; F745-V747 HydrophobicContact CZ-CB 4.43Å; F745-V747 HydrophobicContact CZ-CG2 3.23Å; V747-C749 PolarHBondContact O-N 2.85Å; V747-F803 HydrophobicContact CB-CD1 4.43Å; V747-F803 HydrophobicContact CG1-CD1 3.86Å; V747-F803 HydrophobicContact CG1-CE1 4.2Å; V747-Q814 HydrophobicContact CG1-CB 3.88Å; V747-Q814 HydrophobicContact CG1-CG 4.11Å; V747-Q814 HydrophobicContact CG2-CB 4.19Å
748D78.4Confident68.3Low64 Ų6441.9 Ų41.934%0.34222%0.223SC..EExtended strand (participates in β ladder)trans-76.3111.6168.8-167-10.5000109.5K713 Y714 G750 Q814K713-D748 WeakPolarHBondContact CD-OD1 3.4Å; K713-D748 WeakPolarHBondContact CD-OD2 3.42Å; K713-D748 WeakPolarHBondContact CE-OD2 3.37Å; K713-D748 IonicContact NZ-OD2 3.44Å; K713-D748 PolarHBondContact NZ-OD2 3.23Å; Y714-D748 HydrophobicContact CD1-CB 3.88Å; Y714-D748 HydrophobicContact CE1-CB 3.8Å; D748-G750 PolarHBondContact OD1-N 3.28Å; D748-Q814 PolarHBondContact O-NE2 3.4Å; D748-Q814 VanDerWaalsContact O-NE2 3.13Å; D748-Q814 PolarHBondContact O-OE1 2.97Å
749C78.5Confident70.7Confident5 Ų541.2 Ų41.23%0.03422%0.217CC..  trans-122.33.2-176.963.80000112.9K713 V747 G751 F803K713-C749 PolarHBondContact O-N 2.92Å; K713-C749 PolarHBondContact O-SG 3.05Å; K713-C749 VanDerWaalsContact O-SG 3.39Å; V747-C749 PolarHBondContact O-N 2.85Å; C749-G751 VanDerWaalsContact C-N 3.26Å; C749-G751 PolarHBondContact O-N 3.48Å; C749-F803 HydrophobicContact CB-CE1 3.58Å; C749-F803 HydrophobicContact CB-CZ 3.9Å
750G77Confident72.9Confident42 Ų4240.4 Ų40.443%0.43321%0.21SC..SBendtrans80.8-4.7-173.800000115.2K713 D748K713-G750 PolarHBondContact O-N 3.04Å; K713-G750 VanDerWaalsContact O-N 3.09Å; D748-G750 PolarHBondContact OD1-N 3.28Å
751G80.5Confident74.3Confident8 Ų837.4 Ų37.48%0.08220%0.201CC..  trans114.6168.4173.500000114.7S712 K713 C749 N753 H754S712-G751 WeakPolarHBondContact O-CA 3.41Å; K713-G751 PolarHBondContact O-N 2.99Å; C749-G751 VanDerWaalsContact C-N 3.26Å; C749-G751 PolarHBondContact O-N 3.48Å; G751-N753 VanDerWaalsContact C-N 3.3Å; G751-N753 PolarHBondContact O-N 3.08Å; G751-N753 VanDerWaalsContact O-N 3.17Å; G751-H754 PolarHBondContact O-CD2 2.83Å
752G79.6Confident75.3Confident11 Ų1134.8 Ų34.811%0.11319%0.194CC..THydrogen-bonded Turntrans-76.71.2-166.400000118.1W693 F710 H754W693-G752 VanDerWaalsContact CH2-C 3.43Å; W693-G752 WeakPolarHBondContact CH2-O 2.76Å; F710-G752 VanDerWaalsContact CD1-N 3.34Å; F710-G752 VanDerWaalsContact CD2-CA 3.48Å; F710-G752 VanDerWaalsContact CE2-CA 3.48Å; F710-G752 VanDerWaalsContact CG-CA 3.43Å; F710-G752 VanDerWaalsContact CZ-CA 3.42Å; G752-H754 VanDerWaalsContact C-N 3.27Å; G752-H754 PolarHBondContact O-N 3.36Å
753N82.6Confident75.7Confident132 Ų13239.2 Ų39.271%0.70622%0.218SC*.THydrogen-bonded Turntrans-85.60.8180-66.8-31.2000113.3R663 G751R663-N753 PolarHBondContact NH2-OD1 2.77Å; G751-N753 VanDerWaalsContact C-N 3.3Å; G751-N753 PolarHBondContact O-N 3.08Å; G751-N753 VanDerWaalsContact O-N 3.17Å
754H82.9Confident75.1Confident70 Ų7044 Ų4432%0.32425%0.247SC..SBendtrans-88.6159174.7-64.1-59.5000111.2G751 G752 W756 I806G751-H754 PolarHBondContact O-CD2 2.83Å; G752-H754 VanDerWaalsContact C-N 3.27Å; G752-H754 PolarHBondContact O-N 3.36Å; H754-W756 VanDerWaalsContact O-CD1 3.3Å; H754-I806 WeakPolarHBondContact CB-O 3.29Å; H754-I806 PolarHBondContact ND1-O 3.16Å
755Y87.7Confident74Confident75 Ų7549 Ų4929%0.29427%0.271SS..  trans-70.3133.3168.8-117.8-80.8000108.9R417 V418 T487 S805 I806R417-Y755 WeakPolarHBondContact O-CD2 3.49Å; V418-Y755 HydrophobicContact CB-CE1 4.41Å; V418-Y755 HydrophobicContact CG1-CD1 4.35Å; V418-Y755 HydrophobicContact CG1-CE1 3.81Å; V418-Y755 HydrophobicContact CG2-CE1 4.45Å; V418-Y755 HydrophobicContact CG2-CE2 4.12Å; T487-Y755 WeakPolarHBondContact CA-OH 2.98Å; T487-Y755 WeakPolarHBondContact CB-OH 2.92Å; T487-Y755 WeakPolarHBondContact CG2-OH 3.2Å; Y755-S805 CarbonylContact O-C 3.48Å; Y755-S805 VanDerWaalsContact O-CA 3.27Å; Y755-S805 WeakPolarHBondContact O-CA 3.35Å; Y755-I806 PolarHBondContact O-N 2.82Å
756W91.7Very high72.2Confident43 Ų4357.4 Ų57.416%0.16331%0.308CS..EExtended strand (participates in β ladder)trans-149.4158.4179.764.4-87.7000110.9E695 L708 F710 F715 H754 W758 F803 A804E695-W756 HydrophobicContact CB-CZ2 3.93Å; E695-W756 HydrophobicContact CG-CZ2 3.67Å; L708-W756 HydrophobicContact CB-CH2 4.29Å; L708-W756 HydrophobicContact CD1-CH2 4.46Å; F710-W756 AromaticContact CE2-CE2 3.87Å; F710-W756 HydrophobicContact CE2-CZ2 4.07Å; F710-W756 AromaticContact CE2-NE1 3.58Å; F710-W756 AromaticContact CZ-CD1 3.65Å; F710-W756 HydrophobicContact CZ-CD2 4.14Å; F710-W756 AromaticContact CZ-CE2 3.68Å; F710-W756 HydrophobicContact CZ-CG 4.14Å; F710-W756 HydrophobicContact CZ-CZ2 4.24Å; F710-W756 AromaticContact CZ-NE1 3.36Å; F715-W756 HydrophobicContact CE2-CE3 4.03Å; F715-W756 AromaticContact CE2-CH2 3.88Å; F715-W756 HydrophobicContact CE2-CH2 3.88Å; F715-W756 HydrophobicContact CE2-CZ2 4.38Å; F715-W756 AromaticContact CE2-CZ3 3.68Å; F715-W756 HydrophobicContact CE2-CZ3 3.68Å; F715-W756 HydrophobicContact CZ-CE3 4.48Å; F715-W756 HydrophobicContact CZ-CZ3 4.03Å; H754-W756 VanDerWaalsContact O-CD1 3.3Å; W756-W758 HydrophobicContact CE3-CB 4.33Å; W756-W758 HydrophobicContact CZ3-CB 3.96Å; W756-F803 HydrophobicContact CB-CE2 3.8Å; W756-F803 HydrophobicContact CB-CZ 3.76Å; W756-F803 HydrophobicContact CD2-CE2 4.03Å; W756-F803 HydrophobicContact CE3-CD2 4.29Å; W756-F803 AromaticContact CE3-CE2 3.74Å; W756-F803 HydrophobicContact CE3-CE2 3.74Å; W756-F803 HydrophobicContact CG-CE2 4.07Å; W756-F803 HydrophobicContact CG-CZ 4.28Å; W756-A804 CarbonylContact C-O 3.49Å; W756-A804 WeakPolarHBondContact CA-O 3.38Å; W756-A804 WeakPolarHBondContact CB-O 3.3Å
757D91Very high70.3Confident20 Ų2060.1 Ų60.111%0.10733%0.327CS..EExtended strand (participates in β ladder)trans-144.1155166.6-164.46.1000108.5L419 F420 F421 R494 A804L419-D757 HydrophobicContact CD1-CB 3.65Å; F420-D757 VanDerWaalsContact CA-OD2 3.32Å; F420-D757 WeakPolarHBondContact CA-OD2 3.32Å; F421-D757 HydrophobicContact CD2-CB 3.82Å; F421-D757 HydrophobicContact CE2-CB 4.23Å; F421-D757 PolarHBondContact N-OD2 3.35Å; R494-D757 IonicContact CZ-OD1 2.88Å; R494-D757 IonicContact CZ-OD2 3.44Å; R494-D757 IonicContact NH1-OD1 2.96Å; R494-D757 IonicContact NH1-OD2 3.3Å; R494-D757 PolarHBondContact NH1-OD2 2.99Å; R494-D757 IonicContact NH2-OD1 2.74Å; R494-D757 PolarHBondContact NH2-OD1 3.3Å; R494-D757 IonicContact NH2-OD2 3.65Å; D757-A804 PolarHBondContact N-O 2.73Å; D757-A804 PolarHBondContact O-N 3.18Å
758W88.1Confident68.2Low6 Ų666.8 Ų66.82%0.02336%0.363CS..EExtended strand (participates in β ladder)trans-131.5135.4-177.7171.981.2000109.4R494 Y698 L708 F715 W756 L760 P801 V802 F803R494-W758 PolarHBondContact NH2-O 3.3Å; Y698-W758 AromaticContact CD1-CH2 3.52Å; Y698-W758 HydrophobicContact CD1-CH2 3.52Å; Y698-W758 AromaticContact CD1-CZ3 3.34Å; Y698-W758 HydrophobicContact CD1-CZ3 3.34Å; Y698-W758 AromaticContact CD2-CZ3 3.85Å; Y698-W758 HydrophobicContact CD2-CZ3 3.85Å; Y698-W758 AromaticContact CE1-CH2 3.6Å; Y698-W758 HydrophobicContact CE1-CH2 3.6Å; Y698-W758 AromaticContact CE1-CZ3 3.48Å; Y698-W758 HydrophobicContact CE1-CZ3 3.48Å; Y698-W758 VanDerWaalsContact CE1-CZ3 3.48Å; Y698-W758 AromaticContact CE2-CZ3 3.99Å; Y698-W758 HydrophobicContact CE2-CZ3 3.99Å; Y698-W758 HydrophobicContact CG-CE3 4.5Å; Y698-W758 HydrophobicContact CG-CH2 4.14Å; Y698-W758 AromaticContact CG-CZ3 3.51Å; Y698-W758 HydrophobicContact CG-CZ3 3.51Å; Y698-W758 AromaticContact CZ-CZ3 3.81Å; L708-W758 HydrophobicContact CD1-CD2 3.99Å; L708-W758 HydrophobicContact CD1-CE3 3.53Å; L708-W758 HydrophobicContact CD1-CG 4.45Å; L708-W758 HydrophobicContact CD1-CZ3 4Å; L708-W758 HydrophobicContact CD2-CD2 4.24Å; L708-W758 HydrophobicContact CD2-CE3 4.3Å; L708-W758 HydrophobicContact CD2-CH2 4.45Å; L708-W758 HydrophobicContact CD2-CZ2 4.42Å; L708-W758 HydrophobicContact CD2-CZ3 4.41Å; F715-W758 HydrophobicContact CE1-CG 4.45Å; F715-W758 HydrophobicContact CZ-CB 4.25Å; F715-W758 HydrophobicContact CZ-CG 4.27Å; W756-W758 HydrophobicContact CE3-CB 4.33Å; W756-W758 HydrophobicContact CZ3-CB 3.96Å; W758-L760 HydrophobicContact CH2-CB 3.52Å; W758-L760 HydrophobicContact CH2-CD2 4.07Å; W758-L760 HydrophobicContact CH2-CG 4.32Å; W758-L760 HydrophobicContact CZ2-CB 3.68Å; W758-L760 HydrophobicContact CZ2-CD1 4.35Å; W758-L760 HydrophobicContact CZ2-CD2 4.39Å; W758-L760 HydrophobicContact CZ2-CG 4.37Å; W758-L760 HydrophobicContact CZ3-CB 4.11Å; W758-P801 HydrophobicContact CZ2-CB 4.33Å; W758-V802 WeakPolarHBondContact CA-O 3.38Å; W758-F803 HydrophobicContact CB-CD2 4.47Å
759F84.3Confident66.2Low21 Ų2173.1 Ų73.19%0.09239%0.387CS..EExtended strand (participates in β ladder)trans-128.8124.6-178.4-176.8-100.1000109.7F421 G425 P761 P801 V802F421-F759 HydrophobicContact CB-CB 4.16Å; F421-F759 HydrophobicContact CB-CD2 4.12Å; F421-F759 HydrophobicContact CB-CG 4.38Å; F421-F759 HydrophobicContact CD1-CB 4.18Å; F421-F759 HydrophobicContact CD2-CB 3.68Å; F421-F759 HydrophobicContact CE1-CB 4.47Å; F421-F759 HydrophobicContact CE2-CB 4.02Å; F421-F759 HydrophobicContact CG-CB 3.76Å; F421-F759 HydrophobicContact CG-CG 4.35Å; F421-F759 HydrophobicContact CZ-CB 4.41Å; G425-F759 VanDerWaalsContact CA-CZ 3.41Å; G425-F759 VanDerWaalsContact N-CZ 3.32Å; F759-P761 HydrophobicContact CD1-CB 4.43Å; F759-P761 HydrophobicContact CD1-CG 3.92Å; F759-P761 HydrophobicContact CE1-CB 3.79Å; F759-P761 HydrophobicContact CE1-CG 3.76Å; F759-P801 CarbonylContact O-C 3.49Å; F759-P801 WeakPolarHBondContact O-CA 3.05Å; F759-V802 PolarHBondContact N-O 3.1Å; F759-V802 PolarHBondContact O-N 3.27Å
760L79.7Confident64.2Low34 Ų3480.9 Ų80.918%0.17843%0.427CS..  trans-105.2110.9168.9-176.168.3000107.4Y698 Y706 W758 P801Y698-L760 HydrophobicContact CE1-CD2 4.3Å; Y706-L760 HydrophobicContact CE2-CD2 4.4Å; W758-L760 HydrophobicContact CH2-CB 3.52Å; W758-L760 HydrophobicContact CH2-CD2 4.07Å; W758-L760 HydrophobicContact CH2-CG 4.32Å; W758-L760 HydrophobicContact CZ2-CB 3.68Å; W758-L760 HydrophobicContact CZ2-CD1 4.35Å; W758-L760 HydrophobicContact CZ2-CD2 4.39Å; W758-L760 HydrophobicContact CZ2-CG 4.37Å; W758-L760 HydrophobicContact CZ3-CB 4.11Å; L760-P801 HydrophobicContact CD1-CB 3.89Å; L760-P801 HydrophobicContact CD1-CG 4.45Å
761P68.3Low62.2Low18 Ų1882.1 Ų82.112%0.11744%0.441CS..  trans-64.6137.8179.3-14.527000110.6F759 S799 Y800F759-P761 HydrophobicContact CD1-CB 4.43Å; F759-P761 HydrophobicContact CD1-CG 3.92Å; F759-P761 HydrophobicContact CE1-CB 3.79Å; F759-P761 HydrophobicContact CE1-CG 3.76Å; P761-S799 VanDerWaalsContact CB-CB 3.43Å; P761-Y800 WeakPolarHBondContact CD-O 3.45Å; P761-Y800 WeakPolarHBondContact CG-O 2.94Å
762S61.9Low59.9Low45 Ų4589.5 Ų89.532%0.31548%0.478SS..  trans-87.9135.5172.756.60000110.5I701 T764I701-S762 VanDerWaalsContact CD1-CB 3.42Å; S762-T764 PolarHBondContact O-N 2.67Å; S762-T764 PolarHBondContact OG-OG1 3.41Å
763D50.5Low57.8Low146 Ų14695.3 Ų95.378%0.78152%0.516SS*.SBendtrans-58.1-3.6179.2-77-26.2000115.3I765D763-I765 VanDerWaalsContact C-N 3.34Å; D763-I765 PolarHBondContact O-N 2.91Å
764T38Very low55.5Low102 Ų10297.1 Ų97.163%0.62652%0.52SS*.  trans-90.640.2-178.351.30000114.3S762 K766S762-T764 PolarHBondContact O-N 2.67Å; S762-T764 PolarHBondContact OG-OG1 3.41Å; T764-K766 PolarHBondContact O-N 2.96Å
765I36.3Very low53.2Low121 Ų121100.5 Ų100.562%0.62154%0.54SS*.  trans-74.580158.3-54.7178.1000106.9D763 T767D763-I765 VanDerWaalsContact C-N 3.34Å; D763-I765 PolarHBondContact O-N 2.91Å; I765-T767 PolarHBondContact O-N 2.99Å
766K31.8Very low50.8Low175 Ų175103.8 Ų103.876%0.76156%0.563SS**  trans-66.8100.7167.2-76.7-175.9177.9179.40107.4T764 N768T764-K766 PolarHBondContact O-N 2.96Å; K766-N768 PolarHBondContact O-N 2.9Å
767T32.8Very low48.1Very low116 Ų116106.9 Ų106.971%0.71259%0.587SS**  trans-62102.2161.445.90000107.4I765 K769I765-T767 PolarHBondContact O-N 2.99Å; T767-K769 PolarHBondContact O-N 3.06Å
768N31.4Very low45.4Very low148 Ų148116.7 Ų116.779%0.79162%0.624SS**  trans-66.186.1168.3-82.2-17.8000108.1K766 L770K766-N768 PolarHBondContact O-N 2.9Å; N768-L770 PolarHBondContact O-N 2.82Å
769K36.8Very low42.6Very low197 Ų197120.6 Ų120.686%0.85765%0.652SS**  trans-66.1111.6158-85.1-177174.5177.80107.1T767 G771T767-K769 PolarHBondContact O-N 3.06Å; K769-G771 PolarHBondContact O-N 2.73Å
770L35.9Very low40.2Very low168 Ų168129.5 Ų129.588%0.8869%0.686SS**  trans-39.8118.8173.1-104.476.3000111.1N768N768-L770 PolarHBondContact O-N 2.82Å
771G34.6Very low37.8Very low69 Ų69134.8 Ų134.871%0.71172%0.715SS**  trans-77.7133.9157.800000109.3K769 C773K769-G771 PolarHBondContact O-N 2.73Å; G771-C773 PolarHBondContact O-N 3.25Å
772N32.9Very low36.1Very low162 Ų162139 Ų13987%0.86675%0.752SS**  trans-42.6121.1175.6-64.1-26.5000113.2
773C34.6Very low34.6Very low134 Ų134140.2 Ų140.291%0.90577%0.77SS**  trans-146.2124.8146.2-94.30000108.4G771G771-C773 PolarHBondContact O-N 3.25Å
774E34.6Very low33.7Very low170 Ų170141.7 Ų141.779%0.79478%0.777SS**  trans-75.7158.5-170.2-59.6168.6148.600112.4
775N35.4Very low33.2Very low140 Ų140142.9 Ų142.975%0.74978%0.783SS**  trans98.5131.1156.3-54.5-30.5000118.9
776D35.6Very low33.1Very low145 Ų145143.2 Ų143.278%0.77579%0.791SS**  trans93.380.4158.9-56.1-15.5000119.6
777T35.4Very low33.2Very low108 Ų108141.5 Ų141.566%0.66379%0.79SS**  41.3110.6121.358.20000118.7
778Y35.7Very low33.2Very low226 Ų226144.1 Ų144.189%0.88680%0.8SS**  173.7134.8108.3-91.4-74.6000110.9
779S29Very low33.1Very low87 Ų87142 Ų14261%0.60880%0.796SS**  trans-68.9152.5-171.852.50000116.7
780Y33.4Very low33Very low209 Ų209140.7 Ų140.782%0.8279%0.793SS**  -175.7109.5112.4-109.4-82.2000113.7
781N29.5Very low32.6Very low144 Ų144138.7 Ų138.777%0.7779%0.794SS**  trans26.5127.7143.1-62.2-14.9000124.3
782A33.1Very low32.5Very low108 Ų108141.8 Ų141.889%0.89379%0.792SS**  134.4121.2128.200000110.7
783G29.4Very low32.3Very low69 Ų69143 Ų14371%0.71179%0.793SS**  cis172.41612.800000107.4
784I31.4Very low31.9Very low178 Ų178145.4 Ų145.491%0.91379%0.793SS**  trans98.190.9172.4-49.1168.4000115.5
785V27.5Very low31.7Very low126 Ų126146 Ų14676%0.76480%0.796SS**  trans-72.5146.5154.1173.30000108.7
786V34.2Very low31.6Very low128 Ų128144.8 Ų144.878%0.77680%0.798SS**  trans-170.8118.1134.5166.30000110.9
787D34.5Very low31.6Very low140 Ų140142.8 Ų142.875%0.74980%0.796SS**  trans58.8117.3146.7-61.7-17000125.2
788N31.5Very low31.9Very low171 Ų171139.7 Ų139.791%0.91478%0.778SS**  trans-78.1112.8158.1-68.2-37.8000110.5
789S31Very low32.7Very low103 Ų103130.8 Ų130.872%0.7275%0.749SS**  trans-165.3141.1150.352.50000110
790E33.5Very low34.5Very low169 Ų169131.1 Ų131.179%0.7974%0.738SS**  trans8991.4176.5-54.2-171.5174.100115.6I792E790-I792 PolarHBondContact O-N 2.89Å
791S28.6Very low36.5Very low127 Ų127121.2 Ų121.289%0.88870%0.699SS**  trans-59.595.216049.50000110.1
792I31.6Very low39Very low134 Ų134115.1 Ų115.169%0.68767%0.667SS**  trans-99.1116.7159.8-61.8173.8000105.7E790 M794E790-I792 PolarHBondContact O-N 2.89Å; I792-M794 PolarHBondContact O-N 2.94Å
793E28.6Very low41.6Very low188 Ų188110 Ų11088%0.87963%0.625SS**  trans-55106.2169.7-65.9178.5162.100108.1E795E793-E795 PolarHBondContact O-N 3.4Å
794M26.8Very low44.5Very low183 Ų183106.7 Ų106.790%0.90159%0.591SS**  trans-68.5104.3172.9-78.4-169.691.600108.5I792 S796I792-M794 PolarHBondContact O-N 2.94Å; M794-S796 PolarHBondContact O-N 2.99Å
795E30.8Very low47.3Very low183 Ų18398.3 Ų98.386%0.85555%0.548SS*.  trans-52.3129.4161.3-68.6-176.5156.500109.2E793 S797E793-E795 PolarHBondContact O-N 3.4Å; E795-S797 PolarHBondContact O-N 2.91Å; E795-S797 VanDerWaalsContact O-N 3.1Å
796S32.5Very low50.2Low115 Ų11593 Ų9380%0.80452%0.515SS*.  trans-45.4113.5179.750.80000111.8M794 S798M794-S796 PolarHBondContact O-N 2.99Å; S796-S798 PolarHBondContact O-N 3.2Å
797S34.6Very low52.5Low103 Ų10389.2 Ų89.272%0.7249%0.491SS*.  trans-64.595171.856.10000109.6E795 S799E795-S797 PolarHBondContact O-N 2.91Å; E795-S797 VanDerWaalsContact O-N 3.1Å; S797-S799 PolarHBondContact O-N 3.37Å
798S41.9Very low54.6Low42 Ų4291.9 Ų91.929%0.29450%0.496SS..PPolyproline II helixtrans-63.4118.3173.155.60000108.9S796 Y800S796-S798 PolarHBondContact O-N 3.2Å; S798-Y800 WeakPolarHBondContact O-CD2 3.18Å; S798-Y800 VanDerWaalsContact O-CE2 3.26Å; S798-Y800 WeakPolarHBondContact O-CE2 3.34Å; S798-Y800 PolarHBondContact O-N 3.25Å; S798-Y800 PolarHBondContact OG-OH 3.22Å
799S53.6Low56.7Low40 Ų4084.4 Ų84.428%0.2846%0.458SS..PPolyproline II helixtrans-81.5117.8-175.4-56.30000110.2P761 S797P761-S799 VanDerWaalsContact CB-CB 3.43Å; S797-S799 PolarHBondContact O-N 3.37Å
800Y65.7Low59Low93 Ų9384.2 Ų84.237%0.36545%0.445SS..PPolyproline II helixtrans-82.2150.2-177.3-51.7-79.3000111.7P761 S798 P817P761-Y800 WeakPolarHBondContact CD-O 3.45Å; P761-Y800 WeakPolarHBondContact CG-O 2.94Å; S798-Y800 WeakPolarHBondContact O-CD2 3.18Å; S798-Y800 VanDerWaalsContact O-CE2 3.26Å; S798-Y800 WeakPolarHBondContact O-CE2 3.34Å; S798-Y800 PolarHBondContact O-N 3.25Å; S798-Y800 PolarHBondContact OG-OH 3.22Å; Y800-P817 HydrophobicContact CD1-CB 4.03Å; Y800-P817 HydrophobicContact CE1-CB 3.78Å; Y800-P817 HydrophobicContact CE2-CB 4.31Å; Y800-P817 HydrophobicContact CG-CB 4.41Å
801P76.1Confident61.5Low2 Ų276.3 Ų76.31%0.01341%0.408CS..PPolyproline II helixtrans-61.3144169.429.2-37.7000111.3F745 W758 F759 L760 C820 L822F745-P801 HydrophobicContact CD2-CB 4.29Å; F745-P801 HydrophobicContact CD2-CG 3.6Å; F745-P801 HydrophobicContact CE2-CB 4.43Å; F745-P801 HydrophobicContact CE2-CG 3.98Å; F745-P801 HydrophobicContact CG-CG 4.29Å; W758-P801 HydrophobicContact CZ2-CB 4.33Å; F759-P801 CarbonylContact O-C 3.49Å; F759-P801 WeakPolarHBondContact O-CA 3.05Å; L760-P801 HydrophobicContact CD1-CB 3.89Å; L760-P801 HydrophobicContact CD1-CG 4.45Å; P801-C820 WeakPolarHBondContact CD-SG 3.1Å; P801-C820 WeakPolarHBondContact CG-SG 3.19Å; P801-L822 HydrophobicContact CB-CD1 4.49Å; P801-L822 HydrophobicContact CG-CD1 3.61Å
802V82Confident64.2Low16 Ų1671.1 Ų71.110%0.09737%0.371CS..EExtended strand (participates in β ladder)trans-117.6132.8178.4-173.50000108.9F421 W758 F759 I813F421-V802 HydrophobicContact CE1-CG1 4.29Å; F421-V802 HydrophobicContact CZ-CB 4.28Å; F421-V802 HydrophobicContact CZ-CG1 3.8Å; W758-V802 WeakPolarHBondContact CA-O 3.38Å; F759-V802 PolarHBondContact N-O 3.1Å; F759-V802 PolarHBondContact O-N 3.27Å; V802-I813 HydrophobicContact CG1-CG2 3.66Å
803F87.7Confident66.6Low0 Ų064.9 Ų64.90%034%0.339CS..EExtended strand (participates in β ladder)trans-116.9130.5173.4176.4-94.6000110F715 F745 V747 C749 W756 W758 I813 Q814F715-F803 HydrophobicContact CB-CD2 4.5Å; F715-F803 HydrophobicContact CB-CE1 4.46Å; F715-F803 HydrophobicContact CB-CE2 3.91Å; F715-F803 HydrophobicContact CB-CZ 3.88Å; F715-F803 AromaticContact CD1-CD2 3.48Å; F715-F803 HydrophobicContact CD1-CD2 3.48Å; F715-F803 VanDerWaalsContact CD1-CD2 3.48Å; F715-F803 AromaticContact CD1-CE2 3.63Å; F715-F803 HydrophobicContact CD1-CE2 3.63Å; F715-F803 HydrophobicContact CD1-CG 4.12Å; F715-F803 HydrophobicContact CD1-CZ 4.38Å; F715-F803 HydrophobicContact CD2-CD2 4.18Å; F715-F803 AromaticContact CD2-CE2 3.55Å; F715-F803 HydrophobicContact CD2-CE2 3.55Å; F715-F803 HydrophobicContact CD2-CZ 4.26Å; F715-F803 AromaticContact CE1-CD2 3.56Å; F715-F803 HydrophobicContact CE1-CD2 3.56Å; F715-F803 AromaticContact CE1-CE2 3.96Å; F715-F803 HydrophobicContact CE1-CE2 3.96Å; F715-F803 HydrophobicContact CE1-CG 4.39Å; F715-F803 HydrophobicContact CE2-CD2 4.24Å; F715-F803 AromaticContact CE2-CE2 3.88Å; F715-F803 HydrophobicContact CE2-CE2 3.88Å; F715-F803 AromaticContact CG-CD2 3.8Å; F715-F803 HydrophobicContact CG-CD2 3.8Å; F715-F803 AromaticContact CG-CE2 3.4Å; F715-F803 HydrophobicContact CG-CE2 3.4Å; F715-F803 VanDerWaalsContact CG-CE2 3.4Å; F715-F803 AromaticContact CG-CZ 3.92Å; F715-F803 HydrophobicContact CG-CZ 3.92Å; F715-F803 AromaticContact CZ-CD2 3.94Å; F715-F803 HydrophobicContact CZ-CD2 3.94Å; F715-F803 HydrophobicContact CZ-CE2 4.06Å; F745-F803 HydrophobicContact CE1-CB 3.42Å; F745-F803 VanDerWaalsContact CE1-CB 3.42Å; F745-F803 HydrophobicContact CE1-CG 4.11Å; F745-F803 HydrophobicContact CZ-CB 3.54Å; V747-F803 HydrophobicContact CB-CD1 4.43Å; V747-F803 HydrophobicContact CG1-CD1 3.86Å; V747-F803 HydrophobicContact CG1-CE1 4.2Å; C749-F803 HydrophobicContact CB-CE1 3.58Å; C749-F803 HydrophobicContact CB-CZ 3.9Å; W756-F803 HydrophobicContact CB-CE2 3.8Å; W756-F803 HydrophobicContact CB-CZ 3.76Å; W756-F803 HydrophobicContact CD2-CE2 4.03Å; W756-F803 HydrophobicContact CE3-CD2 4.29Å; W756-F803 AromaticContact CE3-CE2 3.74Å; W756-F803 HydrophobicContact CE3-CE2 3.74Å; W756-F803 HydrophobicContact CG-CE2 4.07Å; W756-F803 HydrophobicContact CG-CZ 4.28Å; W758-F803 HydrophobicContact CB-CD2 4.47Å; F803-I813 WeakPolarHBondContact O-CA 3.14Å; F803-Q814 PolarHBondContact N-O 2.96Å; F803-Q814 PolarHBondContact O-N 3.49Å
804A89.7Confident68.9Low0 Ų057.6 Ų57.60%031%0.305CS..EExtended strand (participates in β ladder)trans-120.5136.3174.400000109.6L419 F421 L427 W756 D757 V812 I813L419-A804 HydrophobicContact CD1-CB 4.15Å; L419-A804 HydrophobicContact CD2-CB 4.11Å; F421-A804 HydrophobicContact CE2-CB 3.84Å; F421-A804 HydrophobicContact CZ-CB 3.74Å; L427-A804 HydrophobicContact CD1-CB 3.81Å; L427-A804 HydrophobicContact CD2-CB 3.98Å; W756-A804 CarbonylContact C-O 3.49Å; W756-A804 WeakPolarHBondContact CA-O 3.38Å; W756-A804 WeakPolarHBondContact CB-O 3.3Å; D757-A804 PolarHBondContact N-O 2.73Å; D757-A804 PolarHBondContact O-N 3.18Å; A804-V812 CarbonylContact C-O 3.59Å; A804-V812 WeakPolarHBondContact CA-O 3.3Å; A804-I813 HydrophobicContact CB-CG1 4.32Å
805S91.1Very high70.9Confident2 Ų249.2 Ų49.21%0.01426%0.264CS..EExtended strand (participates in β ladder)trans-140157.3176.365.40000112.4Y755 V811 V812Y755-S805 CarbonylContact O-C 3.48Å; Y755-S805 VanDerWaalsContact O-CA 3.27Å; Y755-S805 WeakPolarHBondContact O-CA 3.35Å; S805-V811 WeakPolarHBondContact O-CA 3.21Å; S805-V812 PolarHBondContact N-O 2.45Å; S805-V812 PolarHBondContact O-N 3.44Å
806I88.5Confident72.2Confident14 Ų1441 Ų417%0.07223%0.226CC..EExtended strand (participates in β ladder)trans-100.1107.7173.8-56.9-178.6000109.2A416 L419 H754 Y755 K810A416-I806 HydrophobicContact CB-CD1 3.94Å; A416-I806 HydrophobicContact CB-CG1 4.37Å; A416-I806 HydrophobicContact CB-CG2 4.34Å; A416-I806 WeakPolarHBondContact O-CG2 3.44Å; L419-I806 HydrophobicContact CB-CD1 4.43Å; L419-I806 HydrophobicContact CD2-CD1 4.16Å; L419-I806 HydrophobicContact CD2-CG1 3.48Å; L419-I806 VanDerWaalsContact CD2-CG1 3.48Å; L419-I806 HydrophobicContact CG-CD1 4.21Å; L419-I806 HydrophobicContact CG-CG1 4.02Å; H754-I806 WeakPolarHBondContact CB-O 3.29Å; H754-I806 PolarHBondContact ND1-O 3.16Å; Y755-I806 PolarHBondContact O-N 2.82Å; I806-K810 CarbonylContact C-O 2.85Å; I806-K810 VanDerWaalsContact CA-O 3.29Å; I806-K810 WeakPolarHBondContact CA-O 3.48Å
807N82.2Confident73.1Confident49 Ų4938.5 Ų38.526%0.26221%0.207SC..EExtended strand (participates in β ladder)trans-115.4119.2177.9-166.3-18.5000110.3G809 K810 V812N807-G809 PolarHBondContact O-N 2.99Å; N807-G809 VanDerWaalsContact O-N 3.17Å; N807-K810 PolarHBondContact N-O 2.87Å; N807-K810 WeakPolarHBondContact O-CB 3.4Å; N807-K810 PolarHBondContact O-N 3.03Å; N807-V812 HydrophobicContact CB-CG2 4.02Å
808K78.8Confident73.7Confident196 Ų19639.3 Ų39.385%0.85220%0.199SC*.THydrogen-bonded Turntrans49.939.5-177.7-64.2172.9-176.91780113.4K810K808-K810 VanDerWaalsContact C-N 3.29Å; K808-K810 PolarHBondContact O-N 3.27Å
809G75.5Confident73.9Confident13 Ų1341.2 Ų41.213%0.13421%0.206CC..THydrogen-bonded Turntrans83.4-6.9179.300000115.5C378 A416 N807C378-G809 VanDerWaalsContact SG-C 3.58Å; C378-G809 PolarHBondContact SG-O 2.79Å; A416-G809 PolarHBondContact N-O 3.37Å; A416-G809 VanDerWaalsContact N-O 3.1Å; N807-G809 PolarHBondContact O-N 2.99Å; N807-G809 VanDerWaalsContact O-N 3.17Å
810K79.9Confident73.4Confident100 Ų10039.6 Ų39.644%0.43520%0.195SC..EExtended strand (participates in β ladder)trans-95146.8176.6-55.3-176.1-177.3-177.20110.5I375 I806 N807 K808I375-K810 HydrophobicContact CG2-CB 4.04Å; I375-K810 HydrophobicContact CG2-CD 3.63Å; I375-K810 HydrophobicContact CG2-CG 4.41Å; I806-K810 CarbonylContact C-O 2.85Å; I806-K810 VanDerWaalsContact CA-O 3.29Å; I806-K810 WeakPolarHBondContact CA-O 3.48Å; N807-K810 PolarHBondContact N-O 2.87Å; N807-K810 WeakPolarHBondContact O-CB 3.4Å; N807-K810 PolarHBondContact O-N 3.03Å; K808-K810 VanDerWaalsContact C-N 3.29Å; K808-K810 PolarHBondContact O-N 3.27Å
811V84.6Confident72.6Confident3 Ų337 Ų372%0.01819%0.187CC..EExtended strand (participates in β ladder)trans-88.5119.6171.3-179.60000108.2L376 A416 L419 L427 Y429 S805 I813L376-V811 HydrophobicContact CB-CB 4.22Å; L376-V811 HydrophobicContact CD1-CB 4.26Å; L376-V811 HydrophobicContact CD1-CG1 4.19Å; L376-V811 HydrophobicContact CG-CB 4.46Å; L376-V811 PolarHBondContact N-O 3.4Å; A416-V811 HydrophobicContact CB-CG2 3.66Å; L419-V811 HydrophobicContact CD2-CG1 4.01Å; L427-V811 HydrophobicContact CD2-CG1 3.72Å; Y429-V811 HydrophobicContact CD1-CG2 4.15Å; Y429-V811 HydrophobicContact CD2-CG2 4.1Å; Y429-V811 HydrophobicContact CE2-CG2 4.48Å; Y429-V811 HydrophobicContact CG-CG2 3.91Å; S805-V811 WeakPolarHBondContact O-CA 3.21Å; V811-I813 HydrophobicContact CG1-CG1 4.23Å
812V85.1Confident70.8Confident17 Ų1738.7 Ų38.710%0.10320%0.196CC..EExtended strand (participates in β ladder)trans-107.9121.3177.5-179.20000107.7A804 S805 N807 Q814A804-V812 CarbonylContact C-O 3.59Å; A804-V812 WeakPolarHBondContact CA-O 3.3Å; S805-V812 PolarHBondContact N-O 2.45Å; S805-V812 PolarHBondContact O-N 3.44Å; N807-V812 HydrophobicContact CB-CG2 4.02Å; V812-Q814 HydrophobicContact CG1-CG 4.14Å
813I83.5Confident68.5Low4 Ų440.3 Ų40.32%0.02121%0.207CC..EExtended strand (participates in β ladder)trans-110.8127.5176-54.5171000107.3I374 L376 L427 Y439 V802 F803 A804 V811I374-I813 HydrophobicContact CB-CB 4.34Å; I374-I813 PolarHBondContact N-O 2.91Å; I374-I813 PolarHBondContact O-N 3.17Å; L376-I813 HydrophobicContact CD1-CD1 4.2Å; L376-I813 HydrophobicContact CG-CD1 4.5Å; L427-I813 HydrophobicContact CD2-CD1 3.59Å; L427-I813 HydrophobicContact CD2-CG1 3.88Å; Y439-I813 HydrophobicContact CD1-CD1 3.39Å; Y439-I813 HydrophobicContact CE1-CD1 3.46Å; Y439-I813 VanDerWaalsContact CE1-CD1 3.46Å; Y439-I813 HydrophobicContact CG-CD1 4.34Å; V802-I813 HydrophobicContact CG1-CG2 3.66Å; F803-I813 WeakPolarHBondContact O-CA 3.14Å; A804-I813 HydrophobicContact CB-CG1 4.32Å; V811-I813 HydrophobicContact CG1-CG1 4.23Å
814Q77.3Confident66.1Low35 Ų3547.3 Ų47.316%0.16425%0.245CC..EExtended strand (participates in β ladder)trans-126.3121.2178.2-76.3159.6-56.600108.4V747 D748 F803 V812V747-Q814 HydrophobicContact CG1-CB 3.88Å; V747-Q814 HydrophobicContact CG1-CG 4.11Å; V747-Q814 HydrophobicContact CG2-CB 4.19Å; D748-Q814 PolarHBondContact O-NE2 3.4Å; D748-Q814 VanDerWaalsContact O-NE2 3.13Å; D748-Q814 PolarHBondContact O-OE1 2.97Å; F803-Q814 PolarHBondContact N-O 2.96Å; F803-Q814 PolarHBondContact O-N 3.49Å; V812-Q814 HydrophobicContact CG1-CG 4.14Å
815S68.1Low63.5Low7 Ų752.8 Ų52.85%0.04927%0.274CS..EExtended strand (participates in β ladder)trans-125.9109.6168.1470000105.9Y441Y441-S815 PolarHBondContact OH-OG 3.44Å
816D58.9Low60.6Low11 Ų1157.3 Ų57.36%0.05931%0.305CS..  trans-117.199.7-177.5-168.4-17.7000109.9S371 H818 N819 C820S371-D816 PolarHBondContact OG-OD2 2.92Å; D816-H818 PolarHBondContact O-N 3.13Å; D816-H818 WeakPolarHBondContact OD1-CA 3.46Å; D816-H818 VanDerWaalsContact OD1-CB 3.3Å; D816-H818 WeakPolarHBondContact OD1-CB 3.41Å; D816-H818 PolarHBondContact OD1-N 3.41Å; D816-N819 HydrophobicContact CB-CB 4.06Å; D816-N819 PolarHBondContact O-N 3.25Å; D816-N819 PolarHBondContact OD1-N 3.14Å; D816-N819 VanDerWaalsContact OD1-N 3.16Å; D816-N819 PolarHBondContact OD2-ND2 3.19Å; D816-C820 WeakPolarHBondContact O-CB 3.34Å; D816-C820 PolarHBondContact O-N 3.31Å; D816-C820 PolarHBondContact O-SG 2.93Å
817P50.2Low58.2Low62 Ų6261.9 Ų61.940%0.40333%0.329SS..THydrogen-bonded Turntrans-63-22.8175.325.2-31.8000112.5Y800Y800-P817 HydrophobicContact CD1-CB 4.03Å; Y800-P817 HydrophobicContact CE1-CB 3.78Å; Y800-P817 HydrophobicContact CE2-CB 4.31Å; Y800-P817 HydrophobicContact CG-CB 4.41Å
818H46.7Very low56.7Low120 Ų12065.3 Ų65.356%0.55634%0.342SS*.THydrogen-bonded Turntrans-82.4-31.1179-73.7-64.4000113.6C368 D816C368-H818 WeakPolarHBondContact CB-NE2 3.38Å; D816-H818 PolarHBondContact O-N 3.13Å; D816-H818 WeakPolarHBondContact OD1-CA 3.46Å; D816-H818 VanDerWaalsContact OD1-CB 3.3Å; D816-H818 WeakPolarHBondContact OD1-CB 3.41Å; D816-H818 PolarHBondContact OD1-N 3.41Å
819N46.7Very low55.5Low82 Ų8260.4 Ų60.444%0.43932%0.322SS..THydrogen-bonded Turntrans-92.6-8.4174-79.2-46.3000113.5D816 I821D816-N819 HydrophobicContact CB-CB 4.06Å; D816-N819 PolarHBondContact O-N 3.25Å; D816-N819 PolarHBondContact OD1-N 3.14Å; D816-N819 VanDerWaalsContact OD1-N 3.16Å; D816-N819 PolarHBondContact OD2-ND2 3.19Å; N819-I821 PolarHBondContact O-N 2.77Å
820C44.1Very low55.1Low6 Ų662.3 Ų62.34%0.04133%0.332CS..  trans-8395.8167.4-71.20000110.3F745 P801 D816 L822F745-C820 WeakPolarHBondContact CD2-SG 3.33Å; P801-C820 WeakPolarHBondContact CD-SG 3.1Å; P801-C820 WeakPolarHBondContact CG-SG 3.19Å; D816-C820 WeakPolarHBondContact O-CB 3.34Å; D816-C820 PolarHBondContact O-N 3.31Å; D816-C820 PolarHBondContact O-SG 2.93Å; C820-L822 HydrophobicContact CB-CB 4.33Å; C820-L822 PolarHBondContact O-N 3.23Å
821I48.4Very low55Low39 Ų3959.2 Ų59.220%0.232%0.32CS..  trans-83.352.8165.4-47.9175.6000107.4Q741 D742 G743 C744 N819Q741-I821 HydrophobicContact CB-CD1 3.29Å; Q741-I821 HydrophobicContact CB-CG2 4.28Å; Q741-I821 HydrophobicContact CG-CD1 3.34Å; Q741-I821 WeakPolarHBondContact O-CB 3.13Å; D742-I821 CarbonylContact C-O 3.55Å; D742-I821 WeakPolarHBondContact CA-O 3.36Å; G743-I821 PolarHBondContact N-O 3.48Å; C744-I821 PolarHBondContact O-N 3.24Å; N819-I821 PolarHBondContact O-N 2.77Å
822L38Very low54.9Low37 Ų3761 Ų6119%0.19433%0.327CS..  trans-120.450.3-179.3-80.4163.6000107.9Y706 P801 C820Y706-L822 HydrophobicContact CE1-CD2 4Å; Y706-L822 VanDerWaalsContact OH-CD2 3.3Å; Y706-L822 WeakPolarHBondContact OH-CD2 2.92Å; P801-L822 HydrophobicContact CB-CD1 4.49Å; P801-L822 HydrophobicContact CG-CD1 3.61Å; C820-L822 HydrophobicContact CB-CB 4.33Å; C820-L822 PolarHBondContact O-N 3.23Å
823S34.6Very low54.7Low49 Ų4960.8 Ų60.834%0.34333%0.325SS..SBendtrans-163.4143.9168.5650000110.6N825S823-N825 PolarHBondContact O-N 2.82Å
824N36.4Very low54.6Low148 Ų14861.3 Ų61.379%0.79133%0.328SS*.THydrogen-bonded Turntrans-63.224.4-173.9-67.7-34.5000115.6N827N824-N827 PolarHBondContact O-OD1 3.16Å
825N34.7Very low54.9Low115 Ų11560.6 Ų60.662%0.61533%0.326SS*.THydrogen-bonded Turntrans-111.8-0.9-169.2-72.4-8.3000115.4S823 N827S823-N825 PolarHBondContact O-N 2.82Å; N825-N827 PolarHBondContact O-N 3.03Å
826C31.5Very low55.6Low96 Ų9660.8 Ų60.865%0.64933%0.328SS*.  trans-88.681.4162.3-72.70000110F828C826-F828 PolarHBondContact O-N 2.95Å
827N38.2Very low56.9Low111 Ų11160.3 Ų60.359%0.59433%0.326SS*.  trans-66.916.1-167.6-84.8-15.5000118.5N824 N825N824-N827 PolarHBondContact O-OD1 3.16Å; N825-N827 PolarHBondContact O-N 3.03Å
828F49Very low58.6Low120 Ų12057.6 Ų57.653%0.52631%0.307SS..  trans-144.3106.9169.6-84.2-81.8000112.5E360 C826E360-F828 HydrophobicContact CB-CB 4.4Å; E360-F828 HydrophobicContact CB-CD2 4.45Å; E360-F828 HydrophobicContact CB-CG 4.42Å; E360-F828 WeakPolarHBondContact OE2-CD2 3.29Å; E360-F828 WeakPolarHBondContact OE2-CE2 3.24Å; C826-F828 PolarHBondContact O-N 2.95Å
829E54.7Low60Low94 Ų9451.9 Ų51.944%0.43928%0.281SS..  trans-57.5139.6163.1-71.5-168.4171.200109.1R740 I831R740-E829 IonicContact CZ-OE1 2.84Å; R740-E829 IonicContact CZ-OE2 3.57Å; R740-E829 IonicContact NH1-OE1 3.94Å; R740-E829 PolarHBondContact NH1-OE1 2.73Å; R740-E829 IonicContact NH1-OE2 3.54Å; R740-E829 IonicContact NH2-OE1 2.63Å; R740-E829 PolarHBondContact NH2-OE1 3.02Å; R740-E829 IonicContact NH2-OE2 3.71Å; R740-E829 PolarHBondContact NH2-OE2 2.89Å; E829-I831 PolarHBondContact O-N 2.99Å
830P67.3Low62Low53 Ų5350.7 Ų50.734%0.34427%0.273SS..  trans-56.3126.5171.824.7-32.8000109.3I358 Y832I358-P830 CarbonylContact O-C 3.6Å; I358-P830 WeakPolarHBondContact O-CA 3.25Å; P830-Y832 HydrophobicContact CB-CE2 4.17Å; P830-Y832 HydrophobicContact CG-CE2 4.12Å; P830-Y832 PolarHBondContact O-N 3.4Å
831I77.6Confident64.2Low34 Ų3452.9 Ų52.917%0.17429%0.286CS..EExtended strand (participates in β ladder)trans-87.9109.7177.7-64.3167.4000107.1K42 I358 E829 L833K42-I831 HydrophobicContact CD-CG2 4.17Å; K42-I831 HydrophobicContact CG-CG2 4.16Å; I358-I831 HydrophobicContact CB-CB 4.25Å; I358-I831 PolarHBondContact N-O 2.57Å; I358-I831 PolarHBondContact O-N 3.18Å; E829-I831 PolarHBondContact O-N 2.99Å; I831-L833 HydrophobicContact CG2-CD2 3.95Å
832Y81.3Confident66.5Low41 Ų4151.1 Ų51.116%0.16128%0.277CS..EExtended strand (participates in β ladder)trans-83.2116.1166.2-69.6-87.9000108.9I323 A355 I356 C357 P738 P830I323-Y832 PolarHBondContact O-OH 3.31Å; A355-Y832 HydrophobicContact CB-CD1 4.47Å; I356-Y832 VanDerWaalsContact O-CA 3.32Å; I356-Y832 WeakPolarHBondContact O-CA 3.37Å; C357-Y832 HydrophobicContact CB-CD1 4.17Å; C357-Y832 HydrophobicContact CB-CE1 3.83Å; P738-Y832 HydrophobicContact CG-CE2 4.17Å; P830-Y832 HydrophobicContact CB-CE2 4.17Å; P830-Y832 HydrophobicContact CG-CE2 4.12Å; P830-Y832 PolarHBondContact O-N 3.4Å
833L82.3Confident69.2Low12 Ų1249.9 Ų49.96%0.06327%0.271CS..EExtended strand (participates in β ladder)trans-81.6-36.9170.3-63.5-177.6000111.1L26 Y37 V39 K42 I356 I358 I831L26-L833 HydrophobicContact CD2-CD1 3.99Å; Y37-L833 HydrophobicContact CD1-CB 4.16Å; Y37-L833 HydrophobicContact CD1-CD1 4.15Å; Y37-L833 HydrophobicContact CE1-CB 4.42Å; Y37-L833 HydrophobicContact CG-CD1 4.09Å; V39-L833 HydrophobicContact CG2-CD1 4.47Å; K42-L833 HydrophobicContact CB-CD2 4.22Å; K42-L833 HydrophobicContact CG-CD2 4.17Å; I356-L833 HydrophobicContact CB-CB 4.19Å; I356-L833 HydrophobicContact CG2-CB 4.28Å; I356-L833 HydrophobicContact CG2-CD1 4.24Å; I356-L833 PolarHBondContact O-N 2.96Å; I358-L833 HydrophobicContact CD1-CD1 3.41Å; I358-L833 VanDerWaalsContact CD1-CD1 3.41Å; I358-L833 HydrophobicContact CD1-CD2 4.34Å; I358-L833 HydrophobicContact CD1-CG 3.74Å; I358-L833 HydrophobicContact CG1-CD1 4.39Å; I358-L833 HydrophobicContact CG1-CG 4.48Å; I831-L833 HydrophobicContact CG2-CD2 3.95Å
834N81.8Confident72.1Confident16 Ų1648.1 Ų48.19%0.08626%0.258CS..EExtended strand (participates in β ladder)trans-129.7144.4166-167.919.3000108.7G354 A355 I356G354-N834 PolarHBondContact O-ND2 2.83Å; A355-N834 WeakPolarHBondContact CA-O 3.32Å; I356-N834 HydrophobicContact CD1-CB 4.11Å; I356-N834 HydrophobicContact CG1-CB 4.23Å; I356-N834 PolarHBondContact N-O 3.35Å
835S81.8Confident74.9Confident19 Ų1941.4 Ų41.413%0.13322%0.222CC..  trans-89.5160.4-174.4-540000111.4H12 F905H12-S835 PolarHBondContact CE1-O 3.08Å; H12-S835 PolarHBondContact NE2-O 3.15Å; S835-F905 WeakPolarHBondContact OG-CD1 3.5Å; S835-F905 WeakPolarHBondContact OG-CE1 3.25Å
836S83.9Confident77.8Confident11 Ų1136.6 Ų36.68%0.07720%0.197CC..  trans-73.9136.1173.262.60000110.7R325 D353 H908R325-S836 WeakPolarHBondContact CD-OG 3.45Å; R325-S836 PolarHBondContact NE-OG 3.13Å; R325-S836 VanDerWaalsContact NE-OG 3.13Å; D353-S836 WeakPolarHBondContact OD2-CB 3.44Å; S836-H908 PolarHBondContact O-CE1 2.83Å; S836-H908 PolarHBondContact O-NE2 3.22Å
837L86Confident80.7Confident2 Ų232.2 Ų32.21%0.0117%0.166CC..  trans-100.9-78.4170179.562.9000112.3H12 D353 I842 S883 W885 P906 H908 A1332H12-L837 WeakPolarHBondContact NE2-CB 3.48Å; D353-L837 PolarHBondContact O-N 3.09Å; D353-L837 VanDerWaalsContact O-N 3.16Å; L837-I842 HydrophobicContact CD2-CD1 3.81Å; L837-I842 HydrophobicContact CG-CD1 4.26Å; L837-S883 PolarHBondContact O-OG 3.03Å; L837-W885 HydrophobicContact CD1-CD2 4.04Å; L837-W885 HydrophobicContact CD1-CE3 3.55Å; L837-W885 HydrophobicContact CD1-CH2 3.9Å; L837-W885 HydrophobicContact CD1-CZ2 4.32Å; L837-W885 HydrophobicContact CD1-CZ3 3.51Å; L837-W885 HydrophobicContact CD2-CH2 4.18Å; L837-W885 HydrophobicContact CD2-CZ2 4.31Å; L837-P906 HydrophobicContact CD1-CB 4.27Å; L837-P906 HydrophobicContact CD1-CG 4.45Å; L837-H908 PolarHBondContact O-CE1 2.95Å; L837-H908 PolarHBondContact O-ND1 3.35Å; L837-H908 VanDerWaalsContact O-ND1 3.09Å; L837-A1332 HydrophobicContact CD2-CB 3.83Å
838H85.3Confident83.1Confident4 Ų427.1 Ų27.12%0.01914%0.139CC..  trans-132.8135.3172.5-82.1-88.1000107.5D353 Q840 I842 A875 D879 L881 S883D353-H838 VanDerWaalsContact CA-O 3.32Å; D353-H838 WeakPolarHBondContact CA-O 3.26Å; H838-Q840 VanDerWaalsContact C-N 3.34Å; H838-I842 HydrophobicContact CB-CD1 4.02Å; H838-I842 HydrophobicContact CB-CG1 3.61Å; H838-A875 PolarHBondContact NE2-O 3.4Å; H838-D879 IonicContact CE1-OD1 3.96Å; H838-D879 IonicContact CE1-OD2 3.36Å; H838-D879 IonicContact CG-OD2 3.31Å; H838-D879 VanDerWaalsContact ND1-CG 3.26Å; H838-D879 IonicContact ND1-OD1 3.94Å; H838-D879 PolarHBondContact ND1-OD1 3.25Å; H838-D879 IonicContact ND1-OD2 3.08Å; H838-D879 PolarHBondContact ND1-OD2 3.13Å; H838-L881 PolarHBondContact CE1-O 3.18Å; H838-S883 PolarHBondContact CD2-OG 3.02Å; H838-S883 VanDerWaalsContact CD2-OG 3.28Å; H838-S883 PolarHBondContact CE1-OG 2.82Å; H838-S883 VanDerWaalsContact NE2-CB 3.28Å; H838-S883 WeakPolarHBondContact NE2-CB 3.23Å; H838-S883 PolarHBondContact NE2-OG 2.93Å
839G77Confident84.8Confident0 Ų021.6 Ų21.60%012%0.115CC..SBendtrans-85.2-12.7-178.100000114.8R325 Q327 N352R325-G839 VanDerWaalsContact C-CA 3.47Å; R325-G839 WeakPolarHBondContact O-CA 3.32Å; Q327-G839 PolarHBondContact N-O 3.36Å; N352-G839 PolarHBondContact ND2-O 3.06Å
840Q88.1Confident85.9Confident57 Ų5719 Ų1927%0.26610%0.103SC..SBendtrans-121.7178.7173.9-61.4-160.842.300109.7Q327 H838 I842 E878 D879Q327-Q840 HydrophobicContact CG-CG 4.16Å; H838-Q840 VanDerWaalsContact C-N 3.34Å; Q840-I842 PolarHBondContact O-N 3.19Å; Q840-E878 HydrophobicContact CB-CB 4Å; Q840-D879 HydrophobicContact CB-CB 4.18Å; Q840-D879 HydrophobicContact CG-CB 4.17Å
841T91.4Very high86.1Confident53 Ų5319.3 Ų19.333%0.32510%0.101SC..  trans-58.3134.9178.749.80000111.7G877 E878T841-G877 CarbonylContact O-C 3.56Å; T841-G877 WeakPolarHBondContact O-CA 3.5Å; T841-E878 PolarHBondContact O-N 3.15Å; T841-E878 WeakPolarHBondContact OG1-CG 3.43Å
842I94.9Very high85.8Confident1 Ų120.2 Ų20.21%0.00511%0.106CC..EExtended strand (participates in β ladder)trans-88.7117.7174.2-54.5177000107.5L837 H838 Q840 T844 A875 H1302 V1328 G1329L837-I842 HydrophobicContact CD2-CD1 3.81Å; L837-I842 HydrophobicContact CG-CD1 4.26Å; H838-I842 HydrophobicContact CB-CD1 4.02Å; H838-I842 HydrophobicContact CB-CG1 3.61Å; Q840-I842 PolarHBondContact O-N 3.19Å; I842-T844 WeakPolarHBondContact CG2-O 3.34Å; I842-A875 HydrophobicContact CD1-CB 4.48Å; I842-A875 HydrophobicContact CG2-CB 3.72Å; I842-H1302 WeakPolarHBondContact O-CB 3.1Å; I842-H1302 PolarHBondContact O-CD2 3.03Å; I842-V1328 HydrophobicContact CB-CB 3.94Å; I842-V1328 HydrophobicContact CB-CG2 4.23Å; I842-V1328 HydrophobicContact CD1-CB 4.44Å; I842-V1328 HydrophobicContact CG2-CB 3.67Å; I842-V1328 HydrophobicContact CG2-CG1 4.09Å; I842-V1328 HydrophobicContact CG2-CG2 3.68Å; I842-G1329 WeakPolarHBondContact CB-O 3.39Å; I842-G1329 PolarHBondContact N-O 3.24Å
843N95.2Very high85.4Confident12 Ų1218.5 Ų18.56%0.06410%0.1CC..EExtended strand (participates in β ladder)trans-88.5-28.9-176.7-71.1-34.1000112.9G876 E878 V916 S1303N843-G876 PolarHBondContact N-O 2.79Å; N843-E878 PolarHBondContact ND2-OE1 2.85Å; N843-E878 PolarHBondContact OD1-OE1 3.41Å; N843-V916 WeakPolarHBondContact CB-O 3.34Å; N843-V916 PolarHBondContact ND2-O 2.85Å; N843-S1303 WeakPolarHBondContact O-CB 3.34Å
844T96Very high84.6Confident11 Ų1121.4 Ų21.47%0.06711%0.112CC..EExtended strand (participates in β ladder)trans-147.3153.1-172.1-166.90000111.7I842 A875 G876 V916 R917 V919I842-T844 WeakPolarHBondContact CG2-O 3.34Å; T844-A875 CarbonylContact O-C 3.53Å; T844-A875 WeakPolarHBondContact O-CA 3.32Å; T844-G876 PolarHBondContact N-O 2.77Å; T844-G876 VanDerWaalsContact N-O 3.11Å; T844-G876 PolarHBondContact O-N 3.19Å; T844-V916 HydrophobicContact CG2-CG1 4.12Å; T844-R917 WeakPolarHBondContact CB-O 3.47Å; T844-V919 HydrophobicContact CG2-CB 4.11Å; T844-V919 HydrophobicContact CG2-CG1 3.73Å; T844-V919 PolarHBondContact OG1-N 3.41Å
845C95.9Very high83.5Confident7 Ų721.8 Ų21.85%0.04712%0.12CC..EExtended strand (participates in β ladder)trans-148.6152.7177.163.50000112.2F874 S1305 L1326 V1328C845-F874 CarbonylContact C-O 3.52Å; C845-F874 WeakPolarHBondContact CA-O 3.22Å; C845-S1305 WeakPolarHBondContact O-CB 3.14Å; C845-L1326 HydrophobicContact CB-CD2 4.01Å; C845-V1328 HydrophobicContact CB-CB 4.37Å; C845-V1328 HydrophobicContact CB-CG1 3.6Å; C845-V1328 HydrophobicContact CB-CG2 3.82Å
846L94.4Very high82.1Confident15 Ų1527 Ų278%0.07915%0.151CC..EExtended strand (participates in β ladder)trans-134125.8173.5176.771000109.2L848 C873 F874 V919 T921L846-L848 HydrophobicContact CD1-CD2 4.02Å; L846-L848 HydrophobicContact CD2-CD1 4.02Å; L846-L848 HydrophobicContact CD2-CD2 4.16Å; L846-L848 HydrophobicContact CD2-CG 4.14Å; L846-L848 HydrophobicContact CG-CD1 4.43Å; L846-L848 HydrophobicContact CG-CD2 4Å; L846-L848 HydrophobicContact CG-CG 4.01Å; L846-C873 CarbonylContact O-C 3.5Å; L846-C873 WeakPolarHBondContact O-CA 3.48Å; L846-F874 HydrophobicContact CB-CB 4.26Å; L846-F874 HydrophobicContact CD2-CD2 4.49Å; L846-F874 PolarHBondContact N-O 3.27Å; L846-F874 PolarHBondContact O-N 2.95Å; L846-V919 HydrophobicContact CB-CG1 3.96Å; L846-T921 HydrophobicContact CD2-CG2 3.67Å
847L93Very high80.2Confident3 Ų333.4 Ų33.42%0.01618%0.18CC..EExtended strand (participates in β ladder)trans-110.6123.9177.2-176.166.2000108.6L871 C873 S1305 T1307 F1324 L1326 L1334L847-L871 HydrophobicContact CD1-CB 4.08Å; L847-C873 WeakPolarHBondContact CD1-SG 3.4Å; L847-S1305 PolarHBondContact N-OG 3.3Å; L847-T1307 HydrophobicContact CD2-CG2 3.62Å; L847-T1307 HydrophobicContact CG-CG2 3.69Å; L847-F1324 HydrophobicContact CD2-CB 4.08Å; L847-L1326 HydrophobicContact CB-CB 4.09Å; L847-L1326 HydrophobicContact CD1-CB 4.34Å; L847-L1326 HydrophobicContact CD2-CB 4.01Å; L847-L1326 HydrophobicContact CG-CB 4.38Å; L847-L1334 HydrophobicContact CD1-CD1 4.42Å; L847-L1334 HydrophobicContact CD2-CD1 3.98Å
848L88.7Confident77.8Confident5 Ų538 Ų383%0.02620%0.204CC..EExtended strand (participates in β ladder)trans-125.6144.7179.6-57.2174.8000109.3L846 D852 I853 L871 Y872 F874 T921L846-L848 HydrophobicContact CD1-CD2 4.02Å; L846-L848 HydrophobicContact CD2-CD1 4.02Å; L846-L848 HydrophobicContact CD2-CD2 4.16Å; L846-L848 HydrophobicContact CD2-CG 4.14Å; L846-L848 HydrophobicContact CG-CD1 4.43Å; L846-L848 HydrophobicContact CG-CD2 4Å; L846-L848 HydrophobicContact CG-CG 4.01Å; L848-D852 WeakPolarHBondContact CA-OD2 3.21Å; L848-D852 HydrophobicContact CB-CB 4.18Å; L848-D852 HydrophobicContact CD2-CB 4.09Å; L848-I853 HydrophobicContact CB-CD1 4.24Å; L848-I853 HydrophobicContact CB-CG1 4.26Å; L848-I853 HydrophobicContact CD1-CG1 4.19Å; L848-L871 CarbonylContact O-C 3.5Å; L848-Y872 PolarHBondContact N-O 2.79Å; L848-Y872 PolarHBondContact O-N 3.37Å; L848-F874 HydrophobicContact CD1-CD2 4.39Å; L848-F874 HydrophobicContact CD1-CE2 4.04Å; L848-T921 HydrophobicContact CD1-CG2 3.96Å
849N85.1Confident75.5Confident4 Ų443.5 Ų43.52%0.02123%0.225CC..EExtended strand (participates in β ladder)trans-101.3177.5164.870.240.2000110.2D851 D852 I853 L871 T1307 S1308 I1309N849-D851 VanDerWaalsContact C-N 3.32Å; N849-D851 PolarHBondContact O-N 3.25Å; N849-D851 VanDerWaalsContact OD1-CA 3.29Å; N849-D851 WeakPolarHBondContact OD1-CA 3.45Å; N849-D851 VanDerWaalsContact OD1-CB 3.26Å; N849-D851 WeakPolarHBondContact OD1-CB 3.35Å; N849-D851 PolarHBondContact OD1-N 3.15Å; N849-D852 VanDerWaalsContact CG-OD2 3.26Å; N849-D852 PolarHBondContact N-OD2 3.03Å; N849-D852 PolarHBondContact ND2-OD2 3.39Å; N849-D852 WeakPolarHBondContact O-CB 3.24Å; N849-D852 PolarHBondContact O-N 2.86Å; N849-D852 PolarHBondContact OD1-N 3.13Å; N849-D852 PolarHBondContact OD1-OD2 3.16Å; N849-I853 WeakPolarHBondContact O-CD1 3.36Å; N849-I853 PolarHBondContact O-N 2.85Å; N849-L871 HydrophobicContact CB-CD2 4.16Å; N849-T1307 HydrophobicContact CB-CG2 4.45Å; N849-T1307 PolarHBondContact ND2-OG1 2.76Å; N849-S1308 PolarHBondContact ND2-O 2.89Å; N849-I1309 HydrophobicContact CB-CG1 4.29Å
850K76.5Confident73.5Confident39 Ų3948.3 Ų48.317%0.1726%0.257CS..Hα-helixtrans-59.8-40.3177.1-78.9-172.2177.4168.50113.4D852 I853 F854 Y859 E870 Y872K850-D852 VanDerWaalsContact C-N 3.26Å; K850-D852 PolarHBondContact O-N 2.94Å; K850-I853 PolarHBondContact O-N 3.19Å; K850-I853 VanDerWaalsContact O-N 3.12Å; K850-F854 HydrophobicContact CB-CD2 4.39Å; K850-F854 WeakPolarHBondContact O-CD2 3.4Å; K850-F854 PolarHBondContact O-N 3.01Å; K850-Y859 HydrophobicContact CB-CE2 4.38Å; K850-Y859 HydrophobicContact CD-CE2 3.82Å; K850-Y859 WeakPolarHBondContact CD-OH 3.36Å; K850-Y859 WeakPolarHBondContact CE-OH 3.34Å; K850-Y859 PolarHBondContact NZ-OH 2.96Å; K850-E870 VanDerWaalsContact CE-CD 3.5Å; K850-E870 WeakPolarHBondContact CE-OE2 3.47Å; K850-E870 IonicContact NZ-OE1 2.72Å; K850-E870 IonicContact NZ-OE2 3.11Å; K850-E870 PolarHBondContact NZ-OE2 3.39Å; K850-Y872 HydrophobicContact CG-CE2 3.79Å
851D71Confident71.1Confident59 Ų5956.3 Ų56.332%0.31629%0.291SS..Hα-helixtrans-63.4-35.4179.3-56.3-28.8000111.1N849 I853 G855N849-D851 VanDerWaalsContact C-N 3.32Å; N849-D851 PolarHBondContact O-N 3.25Å; N849-D851 VanDerWaalsContact OD1-CA 3.29Å; N849-D851 WeakPolarHBondContact OD1-CA 3.45Å; N849-D851 VanDerWaalsContact OD1-CB 3.26Å; N849-D851 WeakPolarHBondContact OD1-CB 3.35Å; N849-D851 PolarHBondContact OD1-N 3.15Å; D851-I853 PolarHBondContact O-N 3.28Å; D851-G855 VanDerWaalsContact O-CA 3.3Å; D851-G855 WeakPolarHBondContact O-CA 3.05Å; D851-G855 PolarHBondContact O-N 2.83Å
852D73.1Confident68.3Low53 Ų5356.2 Ų56.228%0.28330%0.3SS..Hα-helixtrans-64.1-27.1176.6-65.7-38.5000112.3L848 N849 K850 K938 T1307L848-D852 WeakPolarHBondContact CA-OD2 3.21Å; L848-D852 HydrophobicContact CB-CB 4.18Å; L848-D852 HydrophobicContact CD2-CB 4.09Å; N849-D852 VanDerWaalsContact CG-OD2 3.26Å; N849-D852 PolarHBondContact N-OD2 3.03Å; N849-D852 PolarHBondContact ND2-OD2 3.39Å; N849-D852 WeakPolarHBondContact O-CB 3.24Å; N849-D852 PolarHBondContact O-N 2.86Å; N849-D852 PolarHBondContact OD1-N 3.13Å; N849-D852 PolarHBondContact OD1-OD2 3.16Å; K850-D852 VanDerWaalsContact C-N 3.26Å; K850-D852 PolarHBondContact O-N 2.94Å; D852-K938 WeakPolarHBondContact O-CD 3.36Å; D852-K938 WeakPolarHBondContact O-CE 3.41Å; D852-T1307 PolarHBondContact OD2-OG1 2.85Å
853I71.9Confident65.4Low6 Ų663.1 Ų63.13%0.03134%0.337CS..Hα-helixtrans-96.5-48.5-175.4-64153.3000111.6L848 N849 K850 D851 Y872 S937 K938 L963L848-I853 HydrophobicContact CB-CD1 4.24Å; L848-I853 HydrophobicContact CB-CG1 4.26Å; L848-I853 HydrophobicContact CD1-CG1 4.19Å; N849-I853 WeakPolarHBondContact O-CD1 3.36Å; N849-I853 PolarHBondContact O-N 2.85Å; K850-I853 PolarHBondContact O-N 3.19Å; K850-I853 VanDerWaalsContact O-N 3.12Å; D851-I853 PolarHBondContact O-N 3.28Å; I853-Y872 HydrophobicContact CD1-CD2 3.27Å; I853-Y872 HydrophobicContact CD1-CE2 3.63Å; I853-Y872 HydrophobicContact CD1-CG 3.9Å; I853-S937 CarbonylContact O-C 3.59Å; I853-S937 VanDerWaalsContact O-CA 3.31Å; I853-S937 WeakPolarHBondContact O-CA 3.3Å; I853-S937 WeakPolarHBondContact O-CB 3.46Å; I853-K938 PolarHBondContact O-N 2.91Å; I853-L963 HydrophobicContact CD1-CD1 3.27Å; I853-L963 HydrophobicContact CG1-CD1 4.23Å
854F65.9Low62.9Low72 Ų7268.2 Ų68.232%0.31637%0.374SS..Hα-helixtrans-100-12.5-171.1-61.7-69.5000114K850 T935K850-F854 HydrophobicContact CB-CD2 4.39Å; K850-F854 WeakPolarHBondContact O-CD2 3.4Å; K850-F854 PolarHBondContact O-N 3.01Å; F854-T935 PolarHBondContact O-OG1 3.49Å
855G59.3Low60.4Low24 Ų2473.8 Ų73.825%0.24740%0.403CS..  trans78.2154-175.300000113.6D851 Q857D851-G855 VanDerWaalsContact O-CA 3.3Å; D851-G855 WeakPolarHBondContact O-CA 3.05Å; D851-G855 PolarHBondContact O-N 2.83Å; G855-Q857 PolarHBondContact O-N 3.44Å
856V50.9Low58.3Low129 Ų12978.2 Ų78.278%0.78243%0.427SS*.THydrogen-bonded Turntrans-63.2-15.4-166.7179.90000115
857Q44.5Very low56.8Low146 Ų14684.5 Ų84.568%0.68246%0.455SS*.THydrogen-bonded Turntrans-107.7-8.7-169.1-68.4-173.1-1200116.1G855 T935G855-Q857 PolarHBondContact O-N 3.44Å; Q857-T935 HydrophobicContact CB-CG2 3.92Å
858N36.3Very low55.8Low98 Ų9889.6 Ų89.652%0.52448%0.479SS..  trans-95.814-170-91.815.3000115.8P860 T935N858-P860 WeakPolarHBondContact O-CD 3.44Å; N858-T935 PolarHBondContact ND2-OG1 2.88Å; N858-T935 PolarHBondContact OD1-OG1 3.12Å; N858-T935 VanDerWaalsContact OD1-OG1 3.05Å
859Y36.7Very low55.2Low119 Ų11989.9 Ų89.947%0.46748%0.481SS..  trans-81.8108.3172.3-114.5-85.9000110K850 K861K850-Y859 HydrophobicContact CB-CE2 4.38Å; K850-Y859 HydrophobicContact CD-CE2 3.82Å; K850-Y859 WeakPolarHBondContact CD-OH 3.36Å; K850-Y859 WeakPolarHBondContact CE-OH 3.34Å; K850-Y859 PolarHBondContact NZ-OH 2.96Å; Y859-K861 PolarHBondContact O-N 3.45Å
860P34.5Very low55.1Low102 Ų10291.2 Ų91.266%0.66249%0.487SS*.  trans-57.6137.1162.226.7-31.4000106.5N858 G862N858-P860 WeakPolarHBondContact O-CD 3.44Å; P860-G862 PolarHBondContact O-N 3.13Å
861K36.9Very low55.6Low224 Ų22489.4 Ų89.497%0.97448%0.479SS*.  trans-61.473.7163.8-72.6176.5175.41760108.1Y859Y859-K861 PolarHBondContact O-N 3.45Å
862G34.6Very low56.5Low51 Ų5187.5 Ų87.553%0.52647%0.467SS..  trans-107.1110.1-175.600000109.1P860P860-G862 PolarHBondContact O-N 3.13Å
863N33.8Very low57.3Low146 Ų14685 Ų8578%0.78145%0.454SS*.  trans42.3122.1174-66.6-11000118N865N863-N865 PolarHBondContact O-N 3.23Å
864S41.5Very low58.3Low119 Ų11984.8 Ų84.883%0.83245%0.453SS*.THydrogen-bonded Turntrans-58.525.6-179.651.90000117.6
865N44.8Very low59.7Low129 Ų12981.3 Ų81.369%0.6944%0.438SS*.THydrogen-bonded Turntrans-113.5-0.8-174.9-72.1-1.2000114.8N863 Q867N863-N865 PolarHBondContact O-N 3.23Å; N865-Q867 VanDerWaalsContact C-N 3.25Å; N865-Q867 PolarHBondContact O-N 3.22Å
866D51.6Low61.3Low100 Ų10080.2 Ų80.254%0.53543%0.426SS..  trans-73.777175-99.87.5000110.8Q868D866-Q868 VanDerWaalsContact C-N 3.29Å; D866-Q868 PolarHBondContact O-N 3.07Å
867Q62Low63.3Low146 Ų14674 Ų7468%0.68239%0.389SS*.  trans-88.517.7177.3-66.8-171.8-14.300113.3N865 M891N865-Q867 VanDerWaalsContact C-N 3.25Å; N865-Q867 PolarHBondContact O-N 3.22Å; Q867-M891 VanDerWaalsContact O-CB 3.31Å; Q867-M891 WeakPolarHBondContact O-CB 3.2Å; Q867-M891 PolarHBondContact O-N 3.43Å
868Q71.4Confident65.6Low111 Ų11169.7 Ų69.752%0.51937%0.368SS..EExtended strand (participates in β ladder)trans-129.1137-174.5-63.5-170.9-7.100113.1D866 L889D866-Q868 VanDerWaalsContact C-N 3.29Å; D866-Q868 PolarHBondContact O-N 3.07Å; Q868-L889 CarbonylContact C-O 3.56Å; Q868-L889 VanDerWaalsContact CA-O 3.3Å; Q868-L889 WeakPolarHBondContact CA-O 3.4Å
869I77.8Confident67.9Low11 Ų1166 Ų666%0.05635%0.348CS..EExtended strand (participates in β ladder)trans-83.4124.8169-70.7167.6000108.2L871 S888 L889 M891 I1309 K1322 F1324I869-L871 HydrophobicContact CG2-CD2 4.31Å; I869-L871 HydrophobicContact CG2-CG 4.15Å; I869-S888 CarbonylContact O-C 3.47Å; I869-S888 WeakPolarHBondContact O-CA 3.41Å; I869-L889 HydrophobicContact CB-CB 4.27Å; I869-L889 PolarHBondContact N-O 2.82Å; I869-L889 PolarHBondContact O-N 2.84Å; I869-M891 HydrophobicContact CD1-CG 4.36Å; I869-M891 HydrophobicContact CG1-CG 4.25Å; I869-I1309 HydrophobicContact CB-CD1 4.3Å; I869-I1309 HydrophobicContact CG1-CD1 4.25Å; I869-I1309 HydrophobicContact CG2-CD1 3.24Å; I869-K1322 HydrophobicContact CD1-CD 3.97Å; I869-F1324 HydrophobicContact CD1-CE2 4.3Å; I869-F1324 HydrophobicContact CD1-CZ 4.09Å; I869-F1324 HydrophobicContact CG2-CE2 4.16Å; I869-F1324 HydrophobicContact CG2-CZ 4.37Å
870E82.2Confident70.4Confident32 Ų3262.6 Ų62.615%0.1534%0.34CS..EExtended strand (participates in β ladder)trans-109.7123.5179.1-58.5-164.8160.300111.5K850 K886K850-E870 VanDerWaalsContact CE-CD 3.5Å; K850-E870 WeakPolarHBondContact CE-OE2 3.47Å; K850-E870 IonicContact NZ-OE1 2.72Å; K850-E870 IonicContact NZ-OE2 3.11Å; K850-E870 PolarHBondContact NZ-OE2 3.39Å; E870-K886 VanDerWaalsContact OE1-CE 3.31Å; E870-K886 WeakPolarHBondContact OE1-CE 3.17Å; E870-K886 IonicContact OE1-NZ 2.7Å; E870-K886 PolarHBondContact OE1-NZ 3.41Å; E870-K886 VanDerWaalsContact OE2-CE 3.22Å; E870-K886 WeakPolarHBondContact OE2-CE 3.26Å; E870-K886 IonicContact OE2-NZ 3.86Å; E870-K886 PolarHBondContact OE2-NZ 2.86Å
871L87.2Confident72.9Confident0 Ų058.2 Ų58.20%031%0.311CS..EExtended strand (participates in β ladder)trans-120.2128.4179.3-60.7174.5000109.8L847 L848 N849 I869 K886 I887 L889 T1307 I1309 F1324 L1334L847-L871 HydrophobicContact CD1-CB 4.08Å; L848-L871 CarbonylContact O-C 3.5Å; N849-L871 HydrophobicContact CB-CD2 4.16Å; I869-L871 HydrophobicContact CG2-CD2 4.31Å; I869-L871 HydrophobicContact CG2-CG 4.15Å; L871-K886 CarbonylContact O-C 3.51Å; L871-K886 VanDerWaalsContact O-CA 3.31Å; L871-K886 WeakPolarHBondContact O-CA 3.43Å; L871-I887 HydrophobicContact CB-CB 4.38Å; L871-I887 PolarHBondContact N-O 2.89Å; L871-I887 PolarHBondContact O-N 2.85Å; L871-L889 HydrophobicContact CD1-CD1 4.24Å; L871-T1307 HydrophobicContact CD2-CG2 3.77Å; L871-I1309 HydrophobicContact CD2-CD1 4.21Å; L871-F1324 HydrophobicContact CD1-CB 4.15Å; L871-F1324 HydrophobicContact CD1-CD1 4.14Å; L871-F1324 HydrophobicContact CD1-CD2 4.24Å; L871-F1324 HydrophobicContact CD1-CG 3.91Å; L871-F1324 HydrophobicContact CD2-CD2 4.34Å; L871-L1334 HydrophobicContact CD1-CD1 4.16Å; L871-L1334 HydrophobicContact CD1-CD2 3.77Å
872Y88.7Confident75.4Confident19 Ų1947.6 Ų47.68%0.07527%0.265CS..EExtended strand (participates in β ladder)trans-102.2125.3176.1-57.1-85.8000109.7L848 K850 I853 K886 L963L848-Y872 PolarHBondContact N-O 2.79Å; L848-Y872 PolarHBondContact O-N 3.37Å; K850-Y872 HydrophobicContact CG-CE2 3.79Å; I853-Y872 HydrophobicContact CD1-CD2 3.27Å; I853-Y872 HydrophobicContact CD1-CE2 3.63Å; I853-Y872 HydrophobicContact CD1-CG 3.9Å; Y872-K886 HydrophobicContact CD1-CB 4.3Å; Y872-K886 HydrophobicContact CD1-CG 4.48Å; Y872-K886 HydrophobicContact CE1-CD 4.05Å; Y872-K886 HydrophobicContact CE1-CG 4.43Å; Y872-L963 HydrophobicContact CD1-CB 4.19Å; Y872-L963 HydrophobicContact CD1-CD1 3.41Å; Y872-L963 VanDerWaalsContact CD1-CD1 3.41Å; Y872-L963 HydrophobicContact CD1-CG 3.92Å; Y872-L963 HydrophobicContact CD2-CD1 3.94Å; Y872-L963 HydrophobicContact CE1-CD1 3.67Å; Y872-L963 HydrophobicContact CE1-CG 3.96Å; Y872-L963 HydrophobicContact CE2-CD1 4.17Å; Y872-L963 HydrophobicContact CG-CD1 3.53Å
873C91.6Very high77.9Confident1 Ų145.1 Ų45.11%0.00724%0.24CC..EExtended strand (participates in β ladder)trans-114.6138.1-175-56.70000109.6L846 L847 S884 W885 L1326L846-C873 CarbonylContact O-C 3.5Å; L846-C873 WeakPolarHBondContact O-CA 3.48Å; L847-C873 WeakPolarHBondContact CD1-SG 3.4Å; C873-S884 VanDerWaalsContact O-CA 3.23Å; C873-S884 WeakPolarHBondContact O-CA 3.44Å; C873-W885 HydrophobicContact CB-CD2 3.53Å; C873-W885 HydrophobicContact CB-CE3 3.91Å; C873-W885 HydrophobicContact CB-CG 4.11Å; C873-W885 HydrophobicContact CB-CH2 3.73Å; C873-W885 HydrophobicContact CB-CZ2 3.35Å; C873-W885 HydrophobicContact CB-CZ3 3.97Å; C873-W885 PolarHBondContact N-O 2.84Å; C873-W885 PolarHBondContact O-N 2.83Å; C873-L1326 HydrophobicContact CB-CD2 4.04Å
874F92.7Very high80.5Confident1 Ų138.2 Ų38.20%0.00420%0.203CC..EExtended strand (participates in β ladder)trans-123.9141.4167.7-62.7-94.5000109.2C845 L846 L848 I882 S883 S884 L955 L963 A965C845-F874 CarbonylContact C-O 3.52Å; C845-F874 WeakPolarHBondContact CA-O 3.22Å; L846-F874 HydrophobicContact CB-CB 4.26Å; L846-F874 HydrophobicContact CD2-CD2 4.49Å; L846-F874 PolarHBondContact N-O 3.27Å; L846-F874 PolarHBondContact O-N 2.95Å; L848-F874 HydrophobicContact CD1-CD2 4.39Å; L848-F874 HydrophobicContact CD1-CE2 4.04Å; F874-I882 HydrophobicContact CD1-CG2 4.45Å; F874-S883 CarbonylContact C-O 3.51Å; F874-S883 VanDerWaalsContact CA-O 3.23Å; F874-S883 WeakPolarHBondContact CA-O 3.47Å; F874-S884 VanDerWaalsContact CE1-CB 3.49Å; F874-L955 HydrophobicContact CE1-CD2 3.97Å; F874-L955 HydrophobicContact CE2-CD2 4.32Å; F874-L955 HydrophobicContact CZ-CD2 3.46Å; F874-L955 VanDerWaalsContact CZ-CD2 3.46Å; F874-L963 HydrophobicContact CZ-CB 4.18Å; F874-A965 HydrophobicContact CE1-CB 4.18Å
875A94.3Very high82.6Confident0 Ų032.8 Ų32.80%016%0.164CC..EExtended strand (participates in β ladder)trans-137.6146.5175.700000110.7H838 I842 T844 I882 S883 W885H838-A875 PolarHBondContact NE2-O 3.4Å; I842-A875 HydrophobicContact CD1-CB 4.48Å; I842-A875 HydrophobicContact CG2-CB 3.72Å; T844-A875 CarbonylContact O-C 3.53Å; T844-A875 WeakPolarHBondContact O-CA 3.32Å; A875-I882 CarbonylContact O-C 3.6Å; A875-I882 WeakPolarHBondContact O-CA 3.32Å; A875-S883 PolarHBondContact N-O 2.99Å; A875-S883 PolarHBondContact O-N 3.16Å; A875-W885 HydrophobicContact CB-CH2 3.71Å; A875-W885 HydrophobicContact CB-CZ3 3.62Å
876G93.8Very high84.6Confident0 Ų027.3 Ų27.30%013%0.134CC..EExtended strand (participates in β ladder)trans-129.6134.7174.100000110.8N843 T844 L881N843-G876 PolarHBondContact N-O 2.79Å; T844-G876 PolarHBondContact N-O 2.77Å; T844-G876 VanDerWaalsContact N-O 3.11Å; T844-G876 PolarHBondContact O-N 3.19Å; G876-L881 WeakPolarHBondContact CA-O 3.4Å
877G92.7Very high86.2Confident0 Ų022.5 Ų22.50%011%0.109CC..EExtended strand (participates in β ladder)trans-128.5-178.3-171.700000115.7T841 D879 T880 L881 V916T841-G877 CarbonylContact O-C 3.56Å; T841-G877 WeakPolarHBondContact O-CA 3.5Å; G877-D879 PolarHBondContact O-N 2.82Å; G877-T880 PolarHBondContact O-N 3.11Å; G877-L881 PolarHBondContact N-O 3.26Å; G877-V916 PolarHBondContact O-N 2.85Å
878E92.6Very high87.1Confident54 Ų5416.1 Ų16.125%0.2528%0.08SC..THydrogen-bonded Turntrans-67.9-19.5171.5-71.9-63.2147.800112.7Q840 T841 N843 T880 S915 R917Q840-E878 HydrophobicContact CB-CB 4Å; T841-E878 PolarHBondContact O-N 3.15Å; T841-E878 WeakPolarHBondContact OG1-CG 3.43Å; N843-E878 PolarHBondContact ND2-OE1 2.85Å; N843-E878 PolarHBondContact OD1-OE1 3.41Å; E878-T880 PolarHBondContact O-N 3.07Å; E878-T880 VanDerWaalsContact O-N 3.14Å; E878-S915 VanDerWaalsContact CD-CB 3.49Å; E878-S915 WeakPolarHBondContact OE1-CB 3.47Å; E878-S915 WeakPolarHBondContact OE2-CB 3.31Å; E878-R917 IonicContact OE1-CZ 3.72Å; E878-R917 IonicContact OE1-NE 3.35Å; E878-R917 IonicContact OE1-NH2 2.77Å; E878-R917 PolarHBondContact OE1-NH2 3.17Å
879D84.8Confident87.4Confident20 Ų2011.7 Ų11.711%0.1076%0.06CC..THydrogen-bonded Turntrans-73.75.9174.163.43000114.2H838 Q840 G877 L881H838-D879 IonicContact CE1-OD1 3.96Å; H838-D879 IonicContact CE1-OD2 3.36Å; H838-D879 IonicContact CG-OD2 3.31Å; H838-D879 VanDerWaalsContact ND1-CG 3.26Å; H838-D879 IonicContact ND1-OD1 3.94Å; H838-D879 PolarHBondContact ND1-OD1 3.25Å; H838-D879 IonicContact ND1-OD2 3.08Å; H838-D879 PolarHBondContact ND1-OD2 3.13Å; Q840-D879 HydrophobicContact CB-CB 4.18Å; Q840-D879 HydrophobicContact CG-CB 4.17Å; G877-D879 PolarHBondContact O-N 2.82Å; D879-L881 PolarHBondContact O-N 3.38Å; D879-L881 PolarHBondContact OD1-N 3.44Å
880T88.7Confident87.2Confident48 Ų4814.5 Ų14.529%0.2948%0.079SC..SBendtrans67.310.8178.775.70000114.8G877 E878G877-T880 PolarHBondContact O-N 3.11Å; E878-T880 PolarHBondContact O-N 3.07Å; E878-T880 VanDerWaalsContact O-N 3.14Å
881L86.4Confident86.2Confident11 Ų1115 Ų156%0.0588%0.082CC..EExtended strand (participates in β ladder)trans-98.9154.9-178.9-57.9177.6000111.3H838 G876 G877 D879 H908 R910H838-L881 PolarHBondContact CE1-O 3.18Å; G876-L881 WeakPolarHBondContact CA-O 3.4Å; G877-L881 PolarHBondContact N-O 3.26Å; D879-L881 PolarHBondContact O-N 3.38Å; D879-L881 PolarHBondContact OD1-N 3.44Å; L881-H908 HydrophobicContact CD1-CB 4.16Å; L881-R910 HydrophobicContact CD2-CB 4.39Å; L881-R910 HydrophobicContact CD2-CG 3.3Å
882I89.6Confident84.6Confident0 Ų022.6 Ų22.60%012%0.119CC..EExtended strand (participates in β ladder)trans-109.5119158.5-61.6-175.9000107.7F874 A875 H908 H909 V916 S943 W953F874-I882 HydrophobicContact CD1-CG2 4.45Å; A875-I882 CarbonylContact O-C 3.6Å; A875-I882 WeakPolarHBondContact O-CA 3.32Å; I882-H908 CarbonylContact O-C 3.59Å; I882-H909 HydrophobicContact CB-CB 4.36Å; I882-H909 PolarHBondContact N-O 3.38Å; I882-H909 WeakPolarHBondContact O-CA 3.4Å; I882-H909 WeakPolarHBondContact O-CB 3.09Å; I882-H909 PolarHBondContact O-CD2 3.14Å; I882-H909 PolarHBondContact O-N 2.82Å; I882-V916 HydrophobicContact CG1-CG1 4.42Å; I882-V916 HydrophobicContact CG1-CG2 4.28Å; I882-S943 WeakPolarHBondContact CD1-OG 3.47Å; I882-W953 HydrophobicContact CD1-CD2 4.27Å; I882-W953 HydrophobicContact CD1-CH2 4.16Å; I882-W953 HydrophobicContact CD1-CZ2 3.33Å; I882-W953 VanDerWaalsContact CD1-NE1 3.35Å; I882-W953 HydrophobicContact CG1-CZ2 4.06Å
883S88Confident82.7Confident0 Ų025.6 Ų25.60%014%0.143CC..EExtended strand (participates in β ladder)trans-94.9141.8173.9-53.90000111.1L837 H838 F874 A875 Q907 H908L837-S883 PolarHBondContact O-OG 3.03Å; H838-S883 PolarHBondContact CD2-OG 3.02Å; H838-S883 VanDerWaalsContact CD2-OG 3.28Å; H838-S883 PolarHBondContact CE1-OG 2.82Å; H838-S883 VanDerWaalsContact NE2-CB 3.28Å; H838-S883 WeakPolarHBondContact NE2-CB 3.23Å; H838-S883 PolarHBondContact NE2-OG 2.93Å; F874-S883 CarbonylContact C-O 3.51Å; F874-S883 VanDerWaalsContact CA-O 3.23Å; F874-S883 WeakPolarHBondContact CA-O 3.47Å; A875-S883 PolarHBondContact N-O 2.99Å; A875-S883 PolarHBondContact O-N 3.16Å; S883-Q907 CarbonylContact C-O 3.53Å; S883-Q907 WeakPolarHBondContact CA-O 3.15Å; S883-H908 PolarHBondContact OG-ND1 2.86Å
884S87.7Confident80.3Confident1 Ų132.6 Ų32.61%0.00719%0.186CC..EExtended strand (participates in β ladder)trans-125.2140.6168.472.60000111.6C873 F874 Q907 H909 L963C873-S884 VanDerWaalsContact O-CA 3.23Å; C873-S884 WeakPolarHBondContact O-CA 3.44Å; F874-S884 VanDerWaalsContact CE1-CB 3.49Å; S884-Q907 PolarHBondContact N-O 2.92Å; S884-Q907 PolarHBondContact O-N 2.85Å; S884-H909 PolarHBondContact OG-NE2 3.43Å; S884-L963 WeakPolarHBondContact CB-O 3.28Å; S884-L963 PolarHBondContact OG-O 2.93Å
885W86.4Confident77.8Confident5 Ų537.9 Ų37.92%0.01921%0.214CC..EExtended strand (participates in β ladder)trans-155.3163.6176.668.4101.5000110.7W10 L837 C873 A875 P906 L1326W10-W885 HydrophobicContact CH2-CZ2 4.28Å; W10-W885 AromaticContact CH2-NE1 3.78Å; W10-W885 HydrophobicContact CZ3-CZ2 4.43Å; L837-W885 HydrophobicContact CD1-CD2 4.04Å; L837-W885 HydrophobicContact CD1-CE3 3.55Å; L837-W885 HydrophobicContact CD1-CH2 3.9Å; L837-W885 HydrophobicContact CD1-CZ2 4.32Å; L837-W885 HydrophobicContact CD1-CZ3 3.51Å; L837-W885 HydrophobicContact CD2-CH2 4.18Å; L837-W885 HydrophobicContact CD2-CZ2 4.31Å; C873-W885 HydrophobicContact CB-CD2 3.53Å; C873-W885 HydrophobicContact CB-CE3 3.91Å; C873-W885 HydrophobicContact CB-CG 4.11Å; C873-W885 HydrophobicContact CB-CH2 3.73Å; C873-W885 HydrophobicContact CB-CZ2 3.35Å; C873-W885 HydrophobicContact CB-CZ3 3.97Å; C873-W885 PolarHBondContact N-O 2.84Å; C873-W885 PolarHBondContact O-N 2.83Å; A875-W885 HydrophobicContact CB-CH2 3.71Å; A875-W885 HydrophobicContact CB-CZ3 3.62Å; W885-P906 HydrophobicContact CB-CB 4.25Å; W885-P906 HydrophobicContact CB-CG 4.28Å; W885-L1326 HydrophobicContact CH2-CD2 4.33Å; W885-L1326 HydrophobicContact CZ2-CD1 4.4Å; W885-L1326 HydrophobicContact CZ2-CD2 4.17Å
886K85.6Confident75.2Confident13 Ų1343.8 Ų43.86%0.05725%0.253CS..EExtended strand (participates in β ladder)trans-115138.4175.5173.8-178.8162.6176.90111.6E870 L871 Y872 S888 S904 P961E870-K886 VanDerWaalsContact OE1-CE 3.31Å; E870-K886 WeakPolarHBondContact OE1-CE 3.17Å; E870-K886 IonicContact OE1-NZ 2.7Å; E870-K886 PolarHBondContact OE1-NZ 3.41Å; E870-K886 VanDerWaalsContact OE2-CE 3.22Å; E870-K886 WeakPolarHBondContact OE2-CE 3.26Å; E870-K886 IonicContact OE2-NZ 3.86Å; E870-K886 PolarHBondContact OE2-NZ 2.86Å; L871-K886 CarbonylContact O-C 3.51Å; L871-K886 VanDerWaalsContact O-CA 3.31Å; L871-K886 WeakPolarHBondContact O-CA 3.43Å; Y872-K886 HydrophobicContact CD1-CB 4.3Å; Y872-K886 HydrophobicContact CD1-CG 4.48Å; Y872-K886 HydrophobicContact CE1-CD 4.05Å; Y872-K886 HydrophobicContact CE1-CG 4.43Å; K886-S888 VanDerWaalsContact CE-OG 3.25Å; K886-S888 WeakPolarHBondContact CE-OG 3.29Å; K886-S904 WeakPolarHBondContact CB-OG 3.42Å; K886-S904 PolarHBondContact N-OG 2.75Å; K886-P961 HydrophobicContact CD-CB 4.25Å; K886-P961 WeakPolarHBondContact CD-O 3.47Å
887I85.6Confident72.6Confident0 Ų048.1 Ų48.10%028%0.282CS..EExtended strand (participates in β ladder)trans-111.1124.9170.6-57177.2000108W10 L871 L889 P901 L1334W10-I887 HydrophobicContact CD2-CD1 3.99Å; W10-I887 HydrophobicContact CE3-CD1 3.82Å; W10-I887 HydrophobicContact CG-CD1 4.4Å; W10-I887 HydrophobicContact CZ3-CD1 4.21Å; L871-I887 HydrophobicContact CB-CB 4.38Å; L871-I887 PolarHBondContact N-O 2.89Å; L871-I887 PolarHBondContact O-N 2.85Å; I887-L889 HydrophobicContact CG2-CD2 4.21Å; I887-L889 HydrophobicContact CG2-CG 4.11Å; I887-P901 CarbonylContact C-O 3.52Å; I887-P901 WeakPolarHBondContact CA-O 3.36Å; I887-P901 HydrophobicContact CG2-CB 3.94Å; I887-P901 HydrophobicContact CG2-CG 4.37Å; I887-P901 WeakPolarHBondContact CG2-O 3.4Å; I887-L1334 HydrophobicContact CD1-CB 4.47Å; I887-L1334 HydrophobicContact CD1-CD2 4.03Å; I887-L1334 HydrophobicContact CG2-CD2 4.1Å
888S81.6Confident70.7Confident12 Ų1252.1 Ų52.18%0.08430%0.302CS..EExtended strand (participates in β ladder)trans-110.3116.9175-69.10000109.4I869 K886 P901 S903I869-S888 CarbonylContact O-C 3.47Å; I869-S888 WeakPolarHBondContact O-CA 3.41Å; K886-S888 VanDerWaalsContact CE-OG 3.25Å; K886-S888 WeakPolarHBondContact CE-OG 3.29Å; S888-P901 PolarHBondContact N-O 2.82Å; S888-P901 WeakPolarHBondContact O-CA 3.45Å; S888-P901 WeakPolarHBondContact O-CB 3.32Å; S888-S903 WeakPolarHBondContact OG-CB 3.42Å; S888-S903 PolarHBondContact OG-OG 3.01Å
889L78.4Confident68.7Low17 Ų1756.3 Ų56.39%0.08933%0.326CS..EExtended strand (participates in β ladder)trans-110.3136.6179.3-63.9170.6000110.7K9 Q868 I869 L871 I887 P901 F1324 L1334K9-L889 HydrophobicContact CB-CD2 4.39Å; Q868-L889 CarbonylContact C-O 3.56Å; Q868-L889 VanDerWaalsContact CA-O 3.3Å; Q868-L889 WeakPolarHBondContact CA-O 3.4Å; I869-L889 HydrophobicContact CB-CB 4.27Å; I869-L889 PolarHBondContact N-O 2.82Å; I869-L889 PolarHBondContact O-N 2.84Å; L871-L889 HydrophobicContact CD1-CD1 4.24Å; I887-L889 HydrophobicContact CG2-CD2 4.21Å; I887-L889 HydrophobicContact CG2-CG 4.11Å; L889-P901 HydrophobicContact CD2-CB 3.54Å; L889-P901 HydrophobicContact CD2-CG 4.25Å; L889-F1324 HydrophobicContact CD1-CD1 4.2Å; L889-F1324 HydrophobicContact CD1-CE1 3.52Å; L889-F1324 HydrophobicContact CD1-CZ 3.99Å; L889-L1334 HydrophobicContact CD1-CD2 4.01Å
890P71.9Confident67.3Low70 Ų7058.1 Ų58.146%0.45533%0.334SS..EExtended strand (participates in β ladder)trans-65.8138.917427.5-33000111
891M61.8Low65.8Low42 Ų4256.9 Ų56.921%0.20733%0.327CS..SBendtrans-74.2-30.8-173.2-148165.993.500113Q867 I869 I1314 K1322Q867-M891 VanDerWaalsContact O-CB 3.31Å; Q867-M891 WeakPolarHBondContact O-CB 3.2Å; Q867-M891 PolarHBondContact O-N 3.43Å; I869-M891 HydrophobicContact CD1-CG 4.36Å; I869-M891 HydrophobicContact CG1-CG 4.25Å; M891-I1314 HydrophobicContact CE-CD1 3.43Å; M891-I1314 VanDerWaalsContact CE-CD1 3.43Å; M891-K1322 PolarHBondContact O-NZ 3.39Å; M891-K1322 VanDerWaalsContact O-NZ 3.14Å
892M53Low64.5Low161 Ų16158.2 Ų58.279%0.79333%0.334SS*.SBendtrans-137.1111.8175.9-66.7-73.2-90.600108.3
893S50.2Low62.8Low82 Ų8260.8 Ų60.857%0.57335%0.352SS*.  trans-139113.116869.40000110.4
894T41.5Very low61.4Low148 Ų14861.3 Ų61.391%0.90836%0.355SS*.  trans-87.5-10.2163.844.70000112.1
895D38.8Very low60.4Low112 Ų11267.8 Ų67.860%0.59938%0.384SS*.SBendtrans-97.6132178.2-77.4-25.5000112C897D895-C897 HydrophobicContact CB-CB 4.38Å; D895-C897 PolarHBondContact O-N 3.41Å
896P41.3Very low60Low124 Ų12468 Ų6881%0.80539%0.386SS*.  trans-7322.417530.8-33.8000113.8I898P896-I898 PolarHBondContact O-N 3.05Å
897C39.1Very low59.5Low91 Ų9168.2 Ų68.262%0.61539%0.387SS*.  trans-71.181.9-172.6-80.20000113.9D895 N899D895-C897 HydrophobicContact CB-CB 4.38Å; D895-C897 PolarHBondContact O-N 3.41Å; C897-N899 VanDerWaalsContact C-N 3.28Å; C897-N899 PolarHBondContact O-N 2.82Å
898I51.6Low59.2Low83 Ų8368.5 Ų68.543%0.42639%0.388SS..  63.4-16.5117.6-60.5165.6000120.2V44 L45 P896 E900V44-I898 WeakPolarHBondContact O-CG2 3.16Å; L45-I898 VanDerWaalsContact O-CD1 3.26Å; L45-I898 WeakPolarHBondContact O-CD1 3.03Å; P896-I898 PolarHBondContact O-N 3.05Å; I898-E900 PolarHBondContact O-N 2.85Å
899N49.9Very low59.1Low142 Ų14268.9 Ų68.976%0.75939%0.389SS*.  trans-83.9122.6175.9-72.2-11000110.9C897C897-N899 VanDerWaalsContact C-N 3.28Å; C897-N899 PolarHBondContact O-N 2.82Å
900E56.5Low59Low58 Ų5872.1 Ų72.127%0.27140%0.4SS..  trans-60.9135.9175.6-70.4-165.2163.300110.3Y37 V44 I898 I902Y37-E900 PolarHBondContact OH-OE1 3.29Å; V44-E900 HydrophobicContact CG2-CG 3.98Å; V44-E900 WeakPolarHBondContact CG2-OE1 3.42Å; I898-E900 PolarHBondContact O-N 2.85Å; E900-I902 PolarHBondContact O-N 2.8Å
901P57.6Low59.1Low23 Ų2369.1 Ų69.115%0.14938%0.382CS..SBendtrans-75.211.8-171.632.1-37.7000113.9W10 I887 S888 L889W10-P901 HydrophobicContact CB-CG 3.92Å; W10-P901 HydrophobicContact CG-CG 4.03Å; I887-P901 CarbonylContact C-O 3.52Å; I887-P901 WeakPolarHBondContact CA-O 3.36Å; I887-P901 HydrophobicContact CG2-CB 3.94Å; I887-P901 HydrophobicContact CG2-CG 4.37Å; I887-P901 WeakPolarHBondContact CG2-O 3.4Å; S888-P901 PolarHBondContact N-O 2.82Å; S888-P901 WeakPolarHBondContact O-CA 3.45Å; S888-P901 WeakPolarHBondContact O-CB 3.32Å; L889-P901 HydrophobicContact CD2-CB 3.54Å; L889-P901 HydrophobicContact CD2-CG 4.25Å
902I57.8Low60.2Low39 Ų3967.7 Ų67.720%0.238%0.375CS..BIsolated β-bridgetrans-93.3113.9177.6-56.7179.3000108.5W10 E900 S904W10-I902 HydrophobicContact CZ2-CD1 3.72Å; W10-I902 HydrophobicContact CZ2-CG1 4.3Å; W10-I902 VanDerWaalsContact NE1-CD1 3.34Å; E900-I902 PolarHBondContact O-N 2.8Å; I902-S904 WeakPolarHBondContact CG2-O 3.28Å
903S53.9Low61.8Low53 Ų5363.3 Ų63.337%0.37135%0.354SS..  trans-89.6-5.9174.552.80000113.3S888S888-S903 WeakPolarHBondContact OG-CB 3.42Å; S888-S903 PolarHBondContact OG-OG 3.01Å
904S58.6Low63.7Low11 Ų1160.8 Ų60.88%0.07734%0.336CS..SBendtrans-147.1137.5-174.961.60000113.4K886 I902K886-S904 WeakPolarHBondContact CB-OG 3.42Å; K886-S904 PolarHBondContact N-OG 2.75Å; I902-S904 WeakPolarHBondContact CG2-O 3.28Å
905F68.1Low66.1Low138 Ų13854.2 Ų54.261%0.60530%0.296SS*.PPolyproline II helixtrans-60.4134.6170.4-72.1-92.3000110S835 Q907S835-F905 WeakPolarHBondContact OG-CD1 3.5Å; S835-F905 WeakPolarHBondContact OG-CE1 3.25Å; F905-Q907 PolarHBondContact O-N 2.91Å
906P76.8Confident68.8Low10 Ų1048.9 Ų48.97%0.06527%0.268CS..PPolyproline II helixtrans-55.3134.9174.3-24.433.6000112L837 W885L837-P906 HydrophobicContact CD1-CB 4.27Å; L837-P906 HydrophobicContact CD1-CG 4.45Å; W885-P906 HydrophobicContact CB-CB 4.25Å; W885-P906 HydrophobicContact CB-CG 4.28Å
907Q76.5Confident71.4Confident16 Ų1646.7 Ų46.78%0.07524%0.243CC..EExtended strand (participates in β ladder)trans-102.5144.1172.7-61-175.8-3.600109.6T736 S883 S884 F905T736-Q907 WeakPolarHBondContact OG1-CA 3.39Å; S883-Q907 CarbonylContact C-O 3.53Å; S883-Q907 WeakPolarHBondContact CA-O 3.15Å; S884-Q907 PolarHBondContact N-O 2.92Å; S884-Q907 PolarHBondContact O-N 2.85Å; F905-Q907 PolarHBondContact O-N 2.91Å
908H77.8Confident74Confident6 Ų642.9 Ų42.93%0.02822%0.218CC..EExtended strand (participates in β ladder)trans-126.4102.6-173.1-44.7-90.6000113.7R325 T736 S836 L837 L881 I882 S883 R910R325-H908 PolarHBondContact NH1-CD2 2.92Å; R325-H908 PolarHBondContact NH2-CD2 2.93Å; T736-H908 HydrophobicContact CG2-CB 3.89Å; T736-H908 WeakPolarHBondContact CG2-O 3.38Å; T736-H908 PolarHBondContact OG1-N 3.22Å; S836-H908 PolarHBondContact O-CE1 2.83Å; S836-H908 PolarHBondContact O-NE2 3.22Å; L837-H908 PolarHBondContact O-CE1 2.95Å; L837-H908 PolarHBondContact O-ND1 3.35Å; L837-H908 VanDerWaalsContact O-ND1 3.09Å; L881-H908 HydrophobicContact CD1-CB 4.16Å; I882-H908 CarbonylContact O-C 3.59Å; S883-H908 PolarHBondContact OG-ND1 2.86Å; H908-R910 PolarHBondContact O-N 2.75Å
909H79.3Confident76.1Confident21 Ų2139.4 Ų39.410%0.09720%0.201CC..EExtended strand (participates in β ladder)trans-84.9117.9-173.7-44.8-67.7000110.2I882 S884 W953 A965I882-H909 HydrophobicContact CB-CB 4.36Å; I882-H909 PolarHBondContact N-O 3.38Å; I882-H909 WeakPolarHBondContact O-CA 3.4Å; I882-H909 WeakPolarHBondContact O-CB 3.09Å; I882-H909 PolarHBondContact O-CD2 3.14Å; I882-H909 PolarHBondContact O-N 2.82Å; S884-H909 PolarHBondContact OG-NE2 3.43Å; H909-W953 HydrophobicContact CB-CE3 4.19Å; H909-W953 HydrophobicContact CB-CH2 4.11Å; H909-W953 HydrophobicContact CB-CZ3 3.56Å; H909-A965 HydrophobicContact CB-CB 4.5Å; H909-A965 PolarHBondContact CE1-N 2.94Å; H909-A965 PolarHBondContact ND1-O 3.07Å
910R77Confident78.2Confident84 Ų8434.5 Ų34.532%0.31717%0.174SC..EExtended strand (participates in β ladder)trans-82.4147.9170.6-75.3178.5177.1-163.6-6.1109.4L686 R687 D689 L881 H908 W953L686-R910 HydrophobicContact CB-CB 3.85Å; L686-R910 HydrophobicContact CD1-CB 4.47Å; L686-R910 WeakPolarHBondContact CD1-O 2.94Å; R687-R910 PolarHBondContact O-NH1 2.96Å; D689-R910 IonicContact OD1-CZ 2.92Å; D689-R910 IonicContact OD1-NH1 3.7Å; D689-R910 PolarHBondContact OD1-NH1 3.05Å; D689-R910 IonicContact OD1-NH2 3.67Å; D689-R910 PolarHBondContact OD1-NH2 3.03Å; D689-R910 IonicContact OD2-CZ 3.87Å; D689-R910 IonicContact OD2-NH1 2.73Å; D689-R910 IonicContact OD2-NH2 3.44Å; D689-R910 PolarHBondContact OD2-NH2 2.71Å; L881-R910 HydrophobicContact CD2-CB 4.39Å; L881-R910 HydrophobicContact CD2-CG 3.3Å; H908-R910 PolarHBondContact O-N 2.75Å; R910-W953 VanDerWaalsContact O-CH2 3.27Å; R910-W953 WeakPolarHBondContact O-CH2 3.42Å; R910-W953 WeakPolarHBondContact O-CZ3 3.42Å
911G74.4Confident79.8Confident8 Ų832.1 Ų32.18%0.08216%0.164CC..  trans172.9-37.5-178.100000113.1L686 Q949L686-G911 VanDerWaalsContact CD1-CA 3.43Å; G911-Q949 PolarHBondContact O-NE2 2.95Å
912H85.5Confident81.2Confident12 Ų1231 Ų316%0.05616%0.157CC..  trans-78.9149.4172.8-72.6-85.9000112S914 V916 S943 Q949 C951 W953H912-S914 WeakPolarHBondContact CB-O 3.3Å; H912-V916 HydrophobicContact CB-CG2 4.03Å; H912-V916 VanDerWaalsContact CD2-CG2 3.42Å; H912-V916 WeakPolarHBondContact CD2-CG2 3.46Å; H912-S943 WeakPolarHBondContact NE2-CB 3.26Å; H912-S943 PolarHBondContact NE2-OG 3.42Å; H912-Q949 VanDerWaalsContact CA-OE1 3.29Å; H912-C951 PolarHBondContact CE1-SG 3.09Å; H912-W953 AromaticContact CD2-CZ2 3.99Å
913I84.9Confident82.4Confident68 Ų6834.8 Ų34.835%0.34917%0.169SC..SBendtrans-1066.9174.364.3153.5000113R947 Q949 K972I913-R947 HydrophobicContact CD1-CB 4.25Å; I913-R947 HydrophobicContact CD1-CG 4.44Å; I913-R947 PolarHBondContact O-NH1 2.89Å; I913-Q949 VanDerWaalsContact CG1-OE1 3.3Å; I913-K972 HydrophobicContact CD1-CD 4.46Å
914S90.4Very high83.6Confident30 Ų3033.3 Ų33.321%0.2116%0.157CC..SBendtrans-160.4173.7-175.8-166.10000109.1H912 V916H912-S914 WeakPolarHBondContact CB-O 3.3Å; S914-V916 PolarHBondContact O-N 3.31Å
915S92.3Very high84.3Confident10 Ų1033.2 Ų33.27%0.0716%0.155CC..  trans-44.4130.5176.668.60000113.7E878 G945 G946E878-S915 VanDerWaalsContact CD-CB 3.49Å; E878-S915 WeakPolarHBondContact OE1-CB 3.47Å; E878-S915 WeakPolarHBondContact OE2-CB 3.31Å; S915-G945 WeakPolarHBondContact O-CA 3.47Å; S915-G946 PolarHBondContact O-N 2.88Å
916V95.2Very high84.2Confident0 Ų032.5 Ų32.50%016%0.156CC..EExtended strand (participates in β ladder)trans-81.6132170.1-168.10000108.2N843 T844 G877 I882 H912 S914N843-V916 WeakPolarHBondContact CB-O 3.34Å; N843-V916 PolarHBondContact ND2-O 2.85Å; T844-V916 HydrophobicContact CG2-CG1 4.12Å; G877-V916 PolarHBondContact O-N 2.85Å; I882-V916 HydrophobicContact CG1-CG1 4.42Å; I882-V916 HydrophobicContact CG1-CG2 4.28Å; H912-V916 HydrophobicContact CB-CG2 4.03Å; H912-V916 VanDerWaalsContact CD2-CG2 3.42Å; H912-V916 WeakPolarHBondContact CD2-CG2 3.46Å; S914-V916 PolarHBondContact O-N 3.31Å
917R95.3Very high83.2Confident77 Ų7735.9 Ų35.929%0.29117%0.171SC..EExtended strand (participates in β ladder)trans-118.9-27.4-175.6-68.4-71.3177.6157.7-11113.6T844 E878 A944T844-R917 WeakPolarHBondContact CB-O 3.47Å; E878-R917 IonicContact OE1-CZ 3.72Å; E878-R917 IonicContact OE1-NE 3.35Å; E878-R917 IonicContact OE1-NH2 2.77Å; E878-R917 PolarHBondContact OE1-NH2 3.17Å; R917-A944 PolarHBondContact N-O 2.87Å
918C95Very high81.8Confident12 Ų1243.1 Ų43.18%0.08121%0.21CC..EExtended strand (participates in β ladder)trans-141.3145.3174.657.20000110.9S943 A944 L1022C918-S943 CarbonylContact O-C 3.54Å; C918-S943 WeakPolarHBondContact O-CA 3.46Å; C918-S943 WeakPolarHBondContact O-CB 3.32Å; C918-A944 PolarHBondContact N-O 2.78Å; C918-A944 PolarHBondContact O-N 3.02Å; C918-L1022 HydrophobicContact CB-CB 4.49Å; C918-L1022 VanDerWaalsContact SG-CB 3.57Å
919V95.1Very high80.4Confident10 Ų1046.5 Ų46.56%0.06123%0.228CC..EExtended strand (participates in β ladder)trans-139131.1172.364.40000108.3T844 L846 V941 L942T844-V919 HydrophobicContact CG2-CB 4.11Å; T844-V919 HydrophobicContact CG2-CG1 3.73Å; T844-V919 PolarHBondContact OG1-N 3.41Å; L846-V919 HydrophobicContact CB-CG1 3.96Å; V919-V941 HydrophobicContact CG2-CG1 3.45Å; V919-V941 VanDerWaalsContact CG2-CG1 3.45Å; V919-L942 CarbonylContact C-O 3.59Å; V919-L942 WeakPolarHBondContact CA-O 3.36Å
920N93.4Very high78.6Confident39 Ų3952.3 Ų52.321%0.20926%0.26CS..EExtended strand (participates in β ladder)trans-152156.4-177.4-158.72000111.1L942 L1022 D1023N920-L942 PolarHBondContact N-O 3.35Å; N920-L942 PolarHBondContact O-N 2.73Å; N920-L1022 HydrophobicContact CB-CD2 4.41Å; N920-L1022 PolarHBondContact ND2-O 3.08Å; N920-D1023 PolarHBondContact ND2-OD1 3.18Å
921T90.2Very high77.1Confident8 Ų853.1 Ų53.15%0.04928%0.279CS..PPolyproline II helixtrans-100.5145169.254.90000110.1L846 L848 K938 V941L846-T921 HydrophobicContact CD2-CG2 3.67Å; L848-T921 HydrophobicContact CD1-CG2 3.96Å; T921-K938 HydrophobicContact CG2-CD 4.16Å; T921-K938 PolarHBondContact OG1-NZ 2.89Å; T921-V941 HydrophobicContact CG2-CG2 3.98Å
922P87.2Confident75.6Confident0 Ų059.6 Ų59.60%031%0.311CS..PPolyproline II helixtrans-66.1139.3178.128.5-33.3000111.7Y940 C1024 Q1026 I1038P922-Y940 WeakPolarHBondContact CD-O 3.45Å; P922-C1024 CarbonylContact C-O 3.51Å; P922-C1024 WeakPolarHBondContact CA-O 3.45Å; P922-C1024 WeakPolarHBondContact CA-SG 2.84Å; P922-C1024 HydrophobicContact CB-CB 4.35Å; P922-Q1026 HydrophobicContact CB-CB 3.77Å; P922-Q1026 HydrophobicContact CG-CB 4.06Å; P922-I1038 HydrophobicContact CB-CG2 4.39Å
923Y83.5Confident73.7Confident118 Ų11866.5 Ų66.546%0.46334%0.344SS..EExtended strand (participates in β ladder)trans-68.6126165.5178.7-90.9000109.2C1024 V1025 Q1026 I1098Y923-C1024 PolarHBondContact N-O 2.78Å; Y923-V1025 HydrophobicContact CD1-CG1 4.37Å; Y923-V1025 CarbonylContact O-C 3.54Å; Y923-V1025 WeakPolarHBondContact O-CA 3.4Å; Y923-V1025 WeakPolarHBondContact O-CG1 3.43Å; Y923-Q1026 PolarHBondContact O-N 3.3Å; Y923-I1098 HydrophobicContact CD1-CG2 3.71Å; Y923-I1098 HydrophobicContact CE1-CG2 3.33Å
924I79.2Confident72Confident22 Ų2271.5 Ų71.511%0.11337%0.366CS..EExtended strand (participates in β ladder)trans-88.6120.7-179-59.4171.7000109.1I926 V936 K938 Q1026 P1028I924-I926 HydrophobicContact CG2-CG1 4.44Å; I924-I926 PolarHBondContact O-N 2.82Å; I924-V936 HydrophobicContact CD1-CB 4.39Å; I924-V936 HydrophobicContact CD1-CG1 4.08Å; I924-V936 VanDerWaalsContact CD1-O 3.31Å; I924-V936 WeakPolarHBondContact CD1-O 3.41Å; I924-V936 HydrophobicContact CG2-CB 4.19Å; I924-V936 HydrophobicContact CG2-CG1 4.16Å; I924-K938 HydrophobicContact CD1-CG 3.87Å; I924-Q1026 HydrophobicContact CG1-CB 4.47Å; I924-P1028 HydrophobicContact CG2-CG 4.49Å
925L73.6Confident70.1Confident8 Ų871.9 Ų71.94%0.04237%0.367CS..  trans-77.7103.9176.4-170.468000110.1H927 V1025 Q1026 V1027 P1028 I1098 W1121 P1123L925-H927 VanDerWaalsContact CD2-NE2 3.32Å; L925-H927 WeakPolarHBondContact CD2-NE2 3.27Å; L925-V1025 HydrophobicContact CB-CG1 4.45Å; L925-Q1026 PolarHBondContact N-O 2.82Å; L925-V1027 HydrophobicContact CD2-CG2 4.28Å; L925-P1028 VanDerWaalsContact O-CD 3.26Å; L925-P1028 WeakPolarHBondContact O-CD 3.49Å; L925-P1028 WeakPolarHBondContact O-CG 3.45Å; L925-I1098 HydrophobicContact CD1-CD1 4.37Å; L925-I1098 HydrophobicContact CD1-CG1 4.26Å; L925-W1121 HydrophobicContact CD2-CZ2 4.13Å; L925-P1123 HydrophobicContact CD2-CG 3.97Å
926I65.8Low68.5Low123 Ų12373.8 Ų73.863%0.63138%0.377SS*.  trans-89.2107177.9-55.1172.9000108.8I924 I929I924-I926 HydrophobicContact CG2-CG1 4.44Å; I924-I926 PolarHBondContact O-N 2.82Å; I926-I929 HydrophobicContact CG2-CD1 4.06Å; I926-I929 HydrophobicContact CG2-CG1 4.21Å
927H56.6Low67Low81 Ų8175.4 Ų75.438%0.37539%0.389SS..  trans-104.5119.5173.5-84.8-40.1000111.3L925 I929 S1100L925-H927 VanDerWaalsContact CD2-NE2 3.32Å; L925-H927 WeakPolarHBondContact CD2-NE2 3.27Å; H927-I929 PolarHBondContact O-N 2.84Å; H927-S1100 VanDerWaalsContact CE1-CA 3.5Å; H927-S1100 WeakPolarHBondContact CE1-CA 3.47Å; H927-S1100 WeakPolarHBondContact CE1-CB 3.18Å
928N46.3Very low65.9Low168 Ų16873.9 Ų73.990%0.89839%0.385SS*.  trans35.540166.3-90.24.7000115.6N930N928-N930 PolarHBondContact O-N 2.91Å
929I48.8Very low65Low77 Ų7778.9 Ų78.940%0.39540%0.402SS..  trans-70.5110.7169.7-55.1-178.1000104.6I926 H927 S931 Q933I926-I929 HydrophobicContact CG2-CD1 4.06Å; I926-I929 HydrophobicContact CG2-CG1 4.21Å; H927-I929 PolarHBondContact O-N 2.84Å; I929-S931 PolarHBondContact O-N 3.28Å; I929-Q933 WeakPolarHBondContact CG2-O 3.27Å
930N41.4Very low64.7Low143 Ų14378.5 Ų78.577%0.76540%0.399SS*.  trans-46.1133171.1-77.8-29.8000107.9N928 N932 Q933N928-N930 PolarHBondContact O-N 2.91Å; N930-N932 PolarHBondContact O-N 3.43Å; N930-Q933 PolarHBondContact O-N 2.92Å
931S45Very low64.6Low102 Ų10276.7 Ų76.771%0.71339%0.39SS*.THydrogen-bonded Turntrans-57.29.3-163.559.30000117.6I929I929-S931 PolarHBondContact O-N 3.28Å
932N43.9Very low64.8Low143 Ų14376.3 Ų76.377%0.76539%0.387SS*.THydrogen-bonded Turntrans-123.71.8-170.2-72.1-2.8000115.7N930N930-N932 PolarHBondContact O-N 3.43Å
933Q44.3Very low65.2Low158 Ų15876.3 Ų76.374%0.73839%0.387SS*.SBendtrans-140.4127.8-175.5-73-179.5-33.400114.4I929 N930I929-Q933 WeakPolarHBondContact CG2-O 3.27Å; N930-Q933 PolarHBondContact O-N 2.92Å
934E49.5Very low65.8Low173 Ų17370.7 Ų70.781%0.80837%0.365SS*.  trans47.4106.3168.3-63.2-170.1168.300119.4
935T50.6Low66.5Low38 Ų3869.7 Ų69.723%0.23336%0.36CS..  trans-72.4125.3164.3490000110.5F854 Q857 N858 S937F854-T935 PolarHBondContact O-OG1 3.49Å; Q857-T935 HydrophobicContact CB-CG2 3.92Å; N858-T935 PolarHBondContact ND2-OG1 2.88Å; N858-T935 PolarHBondContact OD1-OG1 3.12Å; N858-T935 VanDerWaalsContact OD1-OG1 3.05Å; T935-S937 PolarHBondContact O-N 2.94Å
936V58.5Low67.3Low49 Ų4969.4 Ų69.430%0.29736%0.359SS..  trans-78112.9175.6-175.90000108.7I924 P1028I924-V936 HydrophobicContact CD1-CB 4.39Å; I924-V936 HydrophobicContact CD1-CG1 4.08Å; I924-V936 VanDerWaalsContact CD1-O 3.31Å; I924-V936 WeakPolarHBondContact CD1-O 3.41Å; I924-V936 HydrophobicContact CG2-CB 4.19Å; I924-V936 HydrophobicContact CG2-CG1 4.16Å; V936-P1028 HydrophobicContact CG1-CB 4.46Å; V936-P1028 HydrophobicContact CG2-CB 4.29Å
937S64.1Low68.5Low35 Ų3569 Ų6925%0.24535%0.35CS..  trans-73.9148.4175.559.80000112I853 T935 R939I853-S937 CarbonylContact O-C 3.59Å; I853-S937 VanDerWaalsContact O-CA 3.31Å; I853-S937 WeakPolarHBondContact O-CA 3.3Å; I853-S937 WeakPolarHBondContact O-CB 3.46Å; T935-S937 PolarHBondContact O-N 2.94Å; S937-R939 PolarHBondContact O-N 3.5Å
938K72.2Confident70Confident45 Ų4565.2 Ų65.220%0.19633%0.332CS..  trans-68.8115.6170.5-68.9-173-177.4174.80109.1D852 I853 T921 I924D852-K938 WeakPolarHBondContact O-CD 3.36Å; D852-K938 WeakPolarHBondContact O-CE 3.41Å; I853-K938 PolarHBondContact O-N 2.91Å; T921-K938 HydrophobicContact CG2-CD 4.16Å; T921-K938 PolarHBondContact OG1-NZ 2.89Å; I924-K938 HydrophobicContact CD1-CG 3.87Å
939R76.8Confident72.2Confident117 Ų11757.4 Ų57.444%0.44229%0.29SS..  trans-104-13.8-177.1-67.4177-176175.8-1.7114.2S937 R954 L955S937-R939 PolarHBondContact O-N 3.5Å; R939-R954 WeakPolarHBondContact O-CA 3.14Å; R939-L955 PolarHBondContact O-N 3.35Å
940Y87Confident74.4Confident2 Ų253.8 Ų53.81%0.00827%0.271CS..EExtended strand (participates in β ladder)trans-129.2147-170.5-54.6-73.5000111.9P922 L952 W953 L968 D1036 I1038 P1056P922-Y940 WeakPolarHBondContact CD-O 3.45Å; Y940-L952 HydrophobicContact CD1-CD1 4.11Å; Y940-L952 HydrophobicContact CD1-CG 4.47Å; Y940-L952 HydrophobicContact CG-CD1 4.26Å; Y940-W953 CarbonylContact C-O 3.59Å; Y940-W953 WeakPolarHBondContact CA-O 3.43Å; Y940-L968 HydrophobicContact CD1-CD1 4.28Å; Y940-L968 HydrophobicContact CE1-CD1 4.02Å; Y940-D1036 HydrophobicContact CE2-CB 4.3Å; Y940-D1036 PolarHBondContact OH-OD2 2.95Å; Y940-I1038 HydrophobicContact CD2-CD1 3.78Å; Y940-I1038 HydrophobicContact CE2-CD1 4.37Å; Y940-I1038 HydrophobicContact CG-CD1 4.04Å; Y940-P1056 HydrophobicContact CE1-CB 3.83Å; Y940-P1056 HydrophobicContact CE1-CG 4.07Å; Y940-P1056 HydrophobicContact CE2-CB 4.49Å; Y940-P1056 HydrophobicContact CE2-CG 4.05Å
941V91.4Very high76.8Confident1 Ų147 Ų471%0.00624%0.235CC..EExtended strand (participates in β ladder)trans-119.5137.9164.2173.90000106.6V919 T921 W953 L955V919-V941 HydrophobicContact CG2-CG1 3.45Å; V919-V941 VanDerWaalsContact CG2-CG1 3.45Å; T921-V941 HydrophobicContact CG2-CG2 3.98Å; V941-W953 HydrophobicContact CB-CB 4.28Å; V941-W953 PolarHBondContact N-O 3.46Å; V941-W953 VanDerWaalsContact O-CD1 3.26Å; V941-W953 PolarHBondContact O-N 2.84Å; V941-L955 HydrophobicContact CG2-CD1 3.99Å; V941-L955 HydrophobicContact CG2-CD2 3.61Å; V941-L955 HydrophobicContact CG2-CG 3.82Å
942L94.2Very high79.1Confident0 Ų042.1 Ų42.10%020%0.201CC..EExtended strand (participates in β ladder)trans-111.2147.8170.5-74.892.2000109.3V919 N920 I950 C951 L952 L1022 C1024 I1038 V1040V919-L942 CarbonylContact C-O 3.59Å; V919-L942 WeakPolarHBondContact CA-O 3.36Å; N920-L942 PolarHBondContact N-O 3.35Å; N920-L942 PolarHBondContact O-N 2.73Å; L942-I950 HydrophobicContact CD2-CG2 4.48Å; L942-C951 WeakPolarHBondContact CA-O 3.47Å; L942-L952 HydrophobicContact CD1-CD1 3.96Å; L942-L952 HydrophobicContact CG-CD1 3.94Å; L942-L1022 HydrophobicContact CB-CD2 3.99Å; L942-C1024 HydrophobicContact CD1-CB 4.44Å; L942-I1038 HydrophobicContact CD1-CD1 4.36Å; L942-I1038 HydrophobicContact CD1-CG2 4.23Å; L942-V1040 HydrophobicContact CD2-CG2 3.37Å
943S95.9Very high81.2Confident0 Ų035.3 Ų35.30%017%0.165CC..EExtended strand (participates in β ladder)trans-146.3147.7175.960.90000109.9I882 H912 C918 C951 W953I882-S943 WeakPolarHBondContact CD1-OG 3.47Å; H912-S943 WeakPolarHBondContact NE2-CB 3.26Å; H912-S943 PolarHBondContact NE2-OG 3.42Å; C918-S943 CarbonylContact O-C 3.54Å; C918-S943 WeakPolarHBondContact O-CA 3.46Å; C918-S943 WeakPolarHBondContact O-CB 3.32Å; S943-C951 PolarHBondContact N-O 3.11Å; S943-C951 PolarHBondContact O-N 2.99Å; S943-W953 PolarHBondContact OG-NE1 2.94Å
944A96.1Very high83.1Confident0 Ų030.3 Ų30.30%014%0.139CC..EExtended strand (participates in β ladder)trans-146.1166.117800000111.7R917 C918 Q949 I950 V1019 L1022R917-A944 PolarHBondContact N-O 2.87Å; C918-A944 PolarHBondContact N-O 2.78Å; C918-A944 PolarHBondContact O-N 3.02Å; A944-Q949 WeakPolarHBondContact CA-O 3.46Å; A944-Q949 WeakPolarHBondContact CB-O 3.41Å; A944-I950 HydrophobicContact CB-CB 4.37Å; A944-I950 HydrophobicContact CB-CG1 3.79Å; A944-V1019 HydrophobicContact CB-CB 3.6Å; A944-V1019 HydrophobicContact CB-CG1 3.52Å; A944-V1019 HydrophobicContact CB-CG2 4.08Å; A944-L1022 HydrophobicContact CB-CD1 4.04Å
945G94.1Very high84.5Confident0 Ų023 Ų230%011%0.105CC..EExtended strand (participates in β ladder)trans178.9-133.1179.100000114.5S915 Q949 R1018 V1019S915-G945 WeakPolarHBondContact O-CA 3.47Å; G945-Q949 PolarHBondContact N-O 3.37Å; G945-Q949 VanDerWaalsContact N-O 3.17Å; G945-R1018 WeakPolarHBondContact O-CA 3.23Å; G945-V1019 WeakPolarHBondContact CA-O 3.23Å; G945-V1019 PolarHBondContact O-N 2.91Å
946G91.7Very high85.3Confident2 Ų224.1 Ų24.12%0.02111%0.112CC..G310 helixtrans-63.2155.4-175.100000113.3S915 G948 Q949S915-G946 PolarHBondContact O-N 2.88Å; G946-G948 PolarHBondContact O-N 2.86Å; G946-Q949 PolarHBondContact O-N 2.94Å
947R89.4Confident85.5Confident116 Ų11625.6 Ų25.644%0.43813%0.125SC..G310 helixtrans58.325.9-175.7-57.5-175.8163.8157.1-6.5114.3I913 Q949 I1017I913-R947 HydrophobicContact CD1-CB 4.25Å; I913-R947 HydrophobicContact CD1-CG 4.44Å; I913-R947 PolarHBondContact O-NH1 2.89Å; R947-Q949 PolarHBondContact O-N 2.94Å; R947-Q949 VanDerWaalsContact O-N 3.13Å; R947-I1017 CarbonylContact C-O 3.41Å; R947-I1017 VanDerWaalsContact C-O 3.32Å; R947-I1017 VanDerWaalsContact CA-O 3.3Å; R947-I1017 WeakPolarHBondContact CA-O 3.33Å; R947-I1017 PolarHBondContact N-O 3.05Å; R947-I1017 VanDerWaalsContact N-O 3.08Å
948G89.3Confident84.9Confident0 Ų024.7 Ų24.70%012%0.118CC..G310 helixtrans61.522.217700000113.2G946 K972 I973 I1017G946-G948 PolarHBondContact O-N 2.86Å; G948-K972 WeakPolarHBondContact O-CA 3.38Å; G948-I973 WeakPolarHBondContact O-CG1 3.34Å; G948-I973 PolarHBondContact O-N 3.21Å; G948-I1017 PolarHBondContact N-O 2.92Å
949Q92.2Very high83.7Confident4 Ų429.3 Ų29.32%0.01915%0.145CC..EExtended strand (participates in β ladder)trans-83.3127.6-174.1-167-176.810.400110.5G911 H912 I913 A944 G945 G946 R947 S970 K971 K972G911-Q949 PolarHBondContact O-NE2 2.95Å; H912-Q949 VanDerWaalsContact CA-OE1 3.29Å; I913-Q949 VanDerWaalsContact CG1-OE1 3.3Å; A944-Q949 WeakPolarHBondContact CA-O 3.46Å; A944-Q949 WeakPolarHBondContact CB-O 3.41Å; G945-Q949 PolarHBondContact N-O 3.37Å; G945-Q949 VanDerWaalsContact N-O 3.17Å; G946-Q949 PolarHBondContact O-N 2.94Å; R947-Q949 PolarHBondContact O-N 2.94Å; R947-Q949 VanDerWaalsContact O-N 3.13Å; Q949-S970 PolarHBondContact NE2-OG 2.85Å; Q949-K971 CarbonylContact C-O 3.58Å; Q949-K971 WeakPolarHBondContact CA-O 3.42Å; Q949-K972 HydrophobicContact CB-CG 4.39Å; Q949-K972 HydrophobicContact CG-CG 4.42Å
950I94.2Very high82.4Confident1 Ų129 Ų291%0.00515%0.148CC..EExtended strand (participates in β ladder)trans-110.7129.3167.2-60.3174.3000107.5L942 A944 S970 K971 I973 V1019 L1022 V1040 A1042 I1052 F1067L942-I950 HydrophobicContact CD2-CG2 4.48Å; A944-I950 HydrophobicContact CB-CB 4.37Å; A944-I950 HydrophobicContact CB-CG1 3.79Å; I950-S970 CarbonylContact O-C 3.38Å; I950-S970 WeakPolarHBondContact O-CA 3.46Å; I950-S970 WeakPolarHBondContact O-CB 3.44Å; I950-K971 PolarHBondContact N-O 3.19Å; I950-K971 PolarHBondContact O-N 3Å; I950-I973 HydrophobicContact CD1-CD1 3.78Å; I950-I973 HydrophobicContact CD1-CG1 4.43Å; I950-I973 HydrophobicContact CG1-CD1 4.33Å; I950-V1019 HydrophobicContact CG1-CG2 4.14Å; I950-L1022 HydrophobicContact CD1-CD1 4.42Å; I950-L1022 HydrophobicContact CG1-CD1 4.5Å; I950-L1022 HydrophobicContact CG2-CD1 4.21Å; I950-V1040 HydrophobicContact CD1-CG1 4.47Å; I950-A1042 HydrophobicContact CD1-CB 4.27Å; I950-I1052 HydrophobicContact CD1-CD1 3.37Å; I950-F1067 HydrophobicContact CG2-CE1 4.18Å
951C92.9Very high80.8Confident0 Ų031.4 Ų31.40%017%0.165CC..EExtended strand (participates in β ladder)trans-117.3138.4-179.5-62.30000110.2H912 L942 S943 W953 F967 G969 S970H912-C951 PolarHBondContact CE1-SG 3.09Å; L942-C951 WeakPolarHBondContact CA-O 3.47Å; S943-C951 PolarHBondContact N-O 3.11Å; S943-C951 PolarHBondContact O-N 2.99Å; C951-W953 HydrophobicContact CB-CZ2 4Å; C951-F967 HydrophobicContact CB-CE2 3.94Å; C951-G969 WeakPolarHBondContact CA-O 3.32Å; C951-S970 VanDerWaalsContact SG-CB 3.56Å
952L92.1Very high79.1Confident0 Ų031.6 Ų31.60%017%0.166CC..EExtended strand (participates in β ladder)trans-106.5131.1173.1-179.470.1000109.7Y940 L942 L968 G969 I1038 V1054 P1056 P1065 F1067Y940-L952 HydrophobicContact CD1-CD1 4.11Å; Y940-L952 HydrophobicContact CD1-CG 4.47Å; Y940-L952 HydrophobicContact CG-CD1 4.26Å; L942-L952 HydrophobicContact CD1-CD1 3.96Å; L942-L952 HydrophobicContact CG-CD1 3.94Å; L952-L968 HydrophobicContact CD2-CB 4.42Å; L952-L968 HydrophobicContact CD2-CD1 3.98Å; L952-L968 HydrophobicContact CG-CB 4.49Å; L952-L968 HydrophobicContact CG-CD1 4.22Å; L952-L968 PolarHBondContact O-N 3.04Å; L952-G969 PolarHBondContact N-O 3.35Å; L952-I1038 HydrophobicContact CD1-CD1 4.14Å; L952-V1054 HydrophobicContact CD2-CG1 3.92Å; L952-P1056 HydrophobicContact CD2-CB 4.12Å; L952-P1056 HydrophobicContact CD2-CG 4.15Å; L952-P1065 HydrophobicContact CD2-CB 3.83Å; L952-P1065 HydrophobicContact CD2-CG 4.41Å; L952-F1067 HydrophobicContact CB-CZ 3.89Å
953W88.4Confident77.9Confident1 Ų132 Ų320%0.00417%0.169CC..EExtended strand (participates in β ladder)trans-123.4142.4179.1-46.683.9000110I882 H909 R910 H912 Y940 V941 S943 C951 A965 G966 F967I882-W953 HydrophobicContact CD1-CD2 4.27Å; I882-W953 HydrophobicContact CD1-CH2 4.16Å; I882-W953 HydrophobicContact CD1-CZ2 3.33Å; I882-W953 VanDerWaalsContact CD1-NE1 3.35Å; I882-W953 HydrophobicContact CG1-CZ2 4.06Å; H909-W953 HydrophobicContact CB-CE3 4.19Å; H909-W953 HydrophobicContact CB-CH2 4.11Å; H909-W953 HydrophobicContact CB-CZ3 3.56Å; R910-W953 VanDerWaalsContact O-CH2 3.27Å; R910-W953 WeakPolarHBondContact O-CH2 3.42Å; R910-W953 WeakPolarHBondContact O-CZ3 3.42Å; H912-W953 AromaticContact CD2-CZ2 3.99Å; Y940-W953 CarbonylContact C-O 3.59Å; Y940-W953 WeakPolarHBondContact CA-O 3.43Å; V941-W953 HydrophobicContact CB-CB 4.28Å; V941-W953 PolarHBondContact N-O 3.46Å; V941-W953 VanDerWaalsContact O-CD1 3.26Å; V941-W953 PolarHBondContact O-N 2.84Å; S943-W953 PolarHBondContact OG-NE1 2.94Å; C951-W953 HydrophobicContact CB-CZ2 4Å; W953-A965 HydrophobicContact CB-CB 4.11Å; W953-A965 HydrophobicContact CE3-CB 4.22Å; W953-A965 HydrophobicContact CG-CB 4.48Å; W953-G966 CarbonylContact C-O 3.6Å; W953-G966 VanDerWaalsContact CA-O 3.3Å; W953-G966 WeakPolarHBondContact CA-O 3.41Å; W953-F967 HydrophobicContact CD2-CD2 4.24Å; W953-F967 HydrophobicContact CE3-CB 3.75Å; W953-F967 AromaticContact CE3-CD2 3.98Å; W953-F967 HydrophobicContact CE3-CD2 3.98Å; W953-F967 HydrophobicContact CE3-CG 4.38Å; W953-F967 HydrophobicContact CH2-CB 4.4Å; W953-F967 AromaticContact CH2-CD2 3.71Å; W953-F967 HydrophobicContact CH2-CD2 3.71Å; W953-F967 HydrophobicContact CH2-CG 4.48Å; W953-F967 AromaticContact CZ2-CD2 3.92Å; W953-F967 HydrophobicContact CZ2-CD2 3.92Å; W953-F967 HydrophobicContact CZ2-CE2 4.47Å; W953-F967 HydrophobicContact CZ3-CB 3.59Å; W953-F967 AromaticContact CZ3-CD2 3.71Å; W953-F967 HydrophobicContact CZ3-CD2 3.71Å; W953-F967 HydrophobicContact CZ3-CG 4.11Å
954R83.9Confident76.6Confident52 Ų5233.1 Ų33.120%0.19618%0.175CC..EExtended strand (participates in β ladder)trans-95.5131169-177.2171.8-79.8158.6-2.9109.4L681 R939 V956 A965 G966 L968L681-R954 PolarHBondContact O-NH1 3.01Å; R939-R954 WeakPolarHBondContact O-CA 3.14Å; R954-V956 HydrophobicContact CG-CG2 4.33Å; R954-V956 PolarHBondContact O-N 2.8Å; R954-A965 CarbonylContact O-C 3.59Å; R954-G966 PolarHBondContact N-O 3.07Å; R954-G966 PolarHBondContact O-N 3.22Å; R954-L968 HydrophobicContact CB-CD1 3.9Å; R954-L968 HydrophobicContact CB-CD2 4.15Å; R954-L968 HydrophobicContact CB-CG 4.01Å
955L79.5Confident75.6Confident20 Ų2033.2 Ų33.211%0.10518%0.176CC..EExtended strand (participates in β ladder)trans-74.5114.3168.2-69.2175.8000108.4F874 R939 V941 L963F874-L955 HydrophobicContact CE1-CD2 3.97Å; F874-L955 HydrophobicContact CE2-CD2 4.32Å; F874-L955 HydrophobicContact CZ-CD2 3.46Å; F874-L955 VanDerWaalsContact CZ-CD2 3.46Å; R939-L955 PolarHBondContact O-N 3.35Å; V941-L955 HydrophobicContact CG2-CD1 3.99Å; V941-L955 HydrophobicContact CG2-CD2 3.61Å; V941-L955 HydrophobicContact CG2-CG 3.82Å; L955-L963 HydrophobicContact CB-CD2 4.33Å
956V67.2Low74.6Confident62 Ų6233.6 Ų33.638%0.37618%0.18SC..EExtended strand (participates in β ladder)trans-105.4118.3175.7-174.70000107.5R954 S958 V964R954-V956 HydrophobicContact CG-CG2 4.33Å; R954-V956 PolarHBondContact O-N 2.8Å; V956-S958 PolarHBondContact O-N 3.36Å; V956-V964 HydrophobicContact CB-CB 4.45Å; V956-V964 PolarHBondContact N-O 3.42Å; V956-V964 PolarHBondContact O-N 3.14Å; V956-V964 VanDerWaalsContact O-N 3.14Å
957S62.5Low74Confident80 Ų8034.5 Ų34.556%0.55918%0.183SC*.EExtended strand (participates in β ladder)trans-81106.3170.2-1700000108
958S51.6Low73.5Confident15 Ų1529 Ų2911%0.10516%0.162CC..  trans-75.7157.6162.247.80000109.5V956 E960 A962V956-S958 PolarHBondContact O-N 3.36Å; S958-E960 PolarHBondContact O-N 3.48Å; S958-E960 VanDerWaalsContact O-N 3.13Å; S958-E960 PolarHBondContact OG-O 2.84Å; S958-A962 PolarHBondContact OG-O 3.39Å
959N47.9Very low73.1Confident142 Ų14229.3 Ų29.376%0.75917%0.165SC*.SBendtrans-64.6-5.6165.8-74.9-11.3000112.8Q730Q730-N959 PolarHBondContact NE2-ND2 3.2Å; Q730-N959 PolarHBondContact NE2-OD1 3.28Å; Q730-N959 VanDerWaalsContact OE1-CB 3.28Å; Q730-N959 PolarHBondContact OE1-ND2 3.28Å; Q730-N959 VanDerWaalsContact OE1-ND2 3.07Å
960E48.4Very low73Confident110 Ų11031.5 Ų31.551%0.51418%0.181SC..SBendtrans-87.4158.2173.4-78.7-143.117000113.6D732 S958 A962D732-E960 WeakPolarHBondContact OD2-CG 3.39Å; S958-E960 PolarHBondContact O-N 3.48Å; S958-E960 VanDerWaalsContact O-N 3.13Å; S958-E960 PolarHBondContact OG-O 2.84Å; E960-A962 VanDerWaalsContact C-N 3.27Å; E960-A962 PolarHBondContact O-N 2.74Å
961P53.5Low72.7Confident54 Ų5436 Ų3635%0.35120%0.2SC..SBendtrans-62.9-18.2-160.919.5-31.6000116.5K886K886-P961 HydrophobicContact CD-CB 4.25Å; K886-P961 WeakPolarHBondContact CD-O 3.47Å
962A56.5Low72.4Confident5 Ų540.6 Ų40.64%0.04122%0.22CC..SBendtrans-110.5148.6-173.300000114S958 E960S958-A962 PolarHBondContact OG-O 3.39Å; E960-A962 VanDerWaalsContact C-N 3.27Å; E960-A962 PolarHBondContact O-N 2.74Å
963L68.6Low72.1Confident9 Ų941.1 Ų41.15%0.04722%0.223CC..EExtended strand (participates in β ladder)trans-76127.8169.1-81.2153.3000110.7I853 Y872 F874 S884 L955I853-L963 HydrophobicContact CD1-CD1 3.27Å; I853-L963 HydrophobicContact CG1-CD1 4.23Å; Y872-L963 HydrophobicContact CD1-CB 4.19Å; Y872-L963 HydrophobicContact CD1-CD1 3.41Å; Y872-L963 VanDerWaalsContact CD1-CD1 3.41Å; Y872-L963 HydrophobicContact CD1-CG 3.92Å; Y872-L963 HydrophobicContact CD2-CD1 3.94Å; Y872-L963 HydrophobicContact CE1-CD1 3.67Å; Y872-L963 HydrophobicContact CE1-CG 3.96Å; Y872-L963 HydrophobicContact CE2-CD1 4.17Å; Y872-L963 HydrophobicContact CG-CD1 3.53Å; F874-L963 HydrophobicContact CZ-CB 4.18Å; S884-L963 WeakPolarHBondContact CB-O 3.28Å; S884-L963 PolarHBondContact OG-O 2.93Å; L955-L963 HydrophobicContact CB-CD2 4.33Å
964V69.2Low71.3Confident22 Ų2249.8 Ų49.813%0.13326%0.256CS..EExtended strand (participates in β ladder)trans-96.2134177.6-168.70000109.3V956V956-V964 HydrophobicContact CB-CB 4.45Å; V956-V964 PolarHBondContact N-O 3.42Å; V956-V964 PolarHBondContact O-N 3.14Å; V956-V964 VanDerWaalsContact O-N 3.14Å
965A73.7Confident70.5Confident3 Ų348.2 Ų48.23%0.02525%0.251CS..EExtended strand (participates in β ladder)trans-95.497.5173.100000110.5F874 H909 W953 R954 F967F874-A965 HydrophobicContact CE1-CB 4.18Å; H909-A965 HydrophobicContact CB-CB 4.5Å; H909-A965 PolarHBondContact CE1-N 2.94Å; H909-A965 PolarHBondContact ND1-O 3.07Å; W953-A965 HydrophobicContact CB-CB 4.11Å; W953-A965 HydrophobicContact CE3-CB 4.22Å; W953-A965 HydrophobicContact CG-CB 4.48Å; R954-A965 CarbonylContact O-C 3.59Å; A965-F967 PolarHBondContact O-N 3.06Å
966G74.2Confident69.4Low7 Ų752.1 Ų52.17%0.07227%0.272CS..EExtended strand (participates in β ladder)trans-76.1118.7176.500000112.1W953 R954 L968W953-G966 CarbonylContact C-O 3.6Å; W953-G966 VanDerWaalsContact CA-O 3.3Å; W953-G966 WeakPolarHBondContact CA-O 3.41Å; R954-G966 PolarHBondContact N-O 3.07Å; R954-G966 PolarHBondContact O-N 3.22Å; G966-L968 PolarHBondContact O-N 3.34Å
967F79Confident68.7Low22 Ų2252.5 Ų52.510%0.09627%0.269CS..EExtended strand (participates in β ladder)trans-65.9121.6177.9-175.6-102.1000111.4T684 L686 C951 W953 A965T684-F967 PolarHBondContact N-O 3.04Å; T684-F967 VanDerWaalsContact N-O 3.12Å; L686-F967 HydrophobicContact CD1-CB 4.49Å; L686-F967 HydrophobicContact CD1-CD1 3.86Å; L686-F967 HydrophobicContact CD1-CE1 4.15Å; L686-F967 HydrophobicContact CD1-CG 4.05Å; C951-F967 HydrophobicContact CB-CE2 3.94Å; W953-F967 HydrophobicContact CD2-CD2 4.24Å; W953-F967 HydrophobicContact CE3-CB 3.75Å; W953-F967 AromaticContact CE3-CD2 3.98Å; W953-F967 HydrophobicContact CE3-CD2 3.98Å; W953-F967 HydrophobicContact CE3-CG 4.38Å; W953-F967 HydrophobicContact CH2-CB 4.4Å; W953-F967 AromaticContact CH2-CD2 3.71Å; W953-F967 HydrophobicContact CH2-CD2 3.71Å; W953-F967 HydrophobicContact CH2-CG 4.48Å; W953-F967 AromaticContact CZ2-CD2 3.92Å; W953-F967 HydrophobicContact CZ2-CD2 3.92Å; W953-F967 HydrophobicContact CZ2-CE2 4.47Å; W953-F967 HydrophobicContact CZ3-CB 3.59Å; W953-F967 AromaticContact CZ3-CD2 3.71Å; W953-F967 HydrophobicContact CZ3-CD2 3.71Å; W953-F967 HydrophobicContact CZ3-CG 4.11Å; A965-F967 PolarHBondContact O-N 3.06Å
968L79.3Confident67.7Low0 Ų056 Ų560%027%0.271CS..EExtended strand (participates in β ladder)trans-100.8-35.7178.3-65.7-174.9000113.1Y940 L952 R954 G966 P1065Y940-L968 HydrophobicContact CD1-CD1 4.28Å; Y940-L968 HydrophobicContact CE1-CD1 4.02Å; L952-L968 HydrophobicContact CD2-CB 4.42Å; L952-L968 HydrophobicContact CD2-CD1 3.98Å; L952-L968 HydrophobicContact CG-CB 4.49Å; L952-L968 HydrophobicContact CG-CD1 4.22Å; L952-L968 PolarHBondContact O-N 3.04Å; R954-L968 HydrophobicContact CB-CD1 3.9Å; R954-L968 HydrophobicContact CB-CD2 4.15Å; R954-L968 HydrophobicContact CB-CG 4.01Å; G966-L968 PolarHBondContact O-N 3.34Å; L968-P1065 HydrophobicContact CB-CG 4.21Å; L968-P1065 WeakPolarHBondContact O-CD 3.49Å
969G81.3Confident67.1Low6 Ų661.5 Ų61.56%0.06229%0.291CS..EExtended strand (participates in β ladder)trans168.2174.8-178.800000113.1C951 L952C951-G969 WeakPolarHBondContact CA-O 3.32Å; L952-G969 PolarHBondContact N-O 3.35Å
970S88.4Confident66.5Low50 Ų5064.7 Ų64.735%0.3529%0.292SS..EExtended strand (participates in β ladder)trans-149.6158.9179.267.60000112.6Q949 I950 C951Q949-S970 PolarHBondContact NE2-OG 2.85Å; I950-S970 CarbonylContact O-C 3.38Å; I950-S970 WeakPolarHBondContact O-CA 3.46Å; I950-S970 WeakPolarHBondContact O-CB 3.44Å; C951-S970 VanDerWaalsContact SG-CB 3.56Å
971K88.2Confident66.1Low95 Ų9564.8 Ų64.841%0.41330%0.3SS..EExtended strand (participates in β ladder)trans-127.3135.1172.4-179.870.8172.5-146.10109.4Q949 I950 F1067Q949-K971 CarbonylContact C-O 3.58Å; Q949-K971 WeakPolarHBondContact CA-O 3.42Å; I950-K971 PolarHBondContact N-O 3.19Å; I950-K971 PolarHBondContact O-N 3Å; K971-F1067 HydrophobicContact CB-CB 3.47Å; K971-F1067 VanDerWaalsContact CB-CB 3.47Å; K971-F1067 HydrophobicContact CB-CD1 3.72Å; K971-F1067 HydrophobicContact CB-CD2 3.87Å; K971-F1067 HydrophobicContact CB-CE1 4.39Å; K971-F1067 HydrophobicContact CB-CG 3.44Å; K971-F1067 VanDerWaalsContact CB-CG 3.44Å; K971-F1067 HydrophobicContact CD-CB 3.99Å; K971-F1067 HydrophobicContact CG-CB 3.65Å; K971-F1067 HydrophobicContact CG-CG 4.2Å; K971-F1067 PolarHBondContact NZ-O 3.11Å
972K87.7Confident65.5Low97 Ų9768.6 Ų68.642%0.42232%0.317SS..EExtended strand (participates in β ladder)trans-94.6127166.1-64.6-173.6-172.3179.30109.7I913 G948 Q949I913-K972 HydrophobicContact CD1-CD 4.46Å; G948-K972 WeakPolarHBondContact O-CA 3.38Å; Q949-K972 HydrophobicContact CB-CG 4.39Å; Q949-K972 HydrophobicContact CG-CG 4.42Å
973I84.4Confident64.7Low11 Ų1175.9 Ų75.96%0.05636%0.356CS..  trans-76.3135.4168-58169.9000107.6G948 I950 I1017 V1019 R1050 I1052G948-I973 WeakPolarHBondContact O-CG1 3.34Å; G948-I973 PolarHBondContact O-N 3.21Å; I950-I973 HydrophobicContact CD1-CD1 3.78Å; I950-I973 HydrophobicContact CD1-CG1 4.43Å; I950-I973 HydrophobicContact CG1-CD1 4.33Å; I973-I1017 HydrophobicContact CG2-CD1 4.26Å; I973-V1019 HydrophobicContact CD1-CG2 3.8Å; I973-R1050 VanDerWaalsContact CG2-NE 3.3Å; I973-I1052 HydrophobicContact CD1-CD1 3.91Å; I973-I1052 HydrophobicContact CG1-CD1 4.29Å
974R72.6Confident63.4Low184 Ų18482.3 Ų82.369%0.69440%0.395SS*.  trans-120141.9176.7-68.6-175.3179.2162.2-0.4110.4R1072R974-R1072 PolarHBondContact O-NH2 2.9Å
975H66.2Low62Low19 Ų1985.2 Ų85.29%0.08842%0.417CS..  trans-71.6125.8166.4-157.2-105.5000108.4E977 I1017 D1046H975-E977 WeakPolarHBondContact CE1-CB 3.35Å; H975-E977 WeakPolarHBondContact CE1-CG 3.17Å; H975-E977 IonicContact CE1-OE2 3.21Å; H975-E977 PolarHBondContact CE1-OE2 3.25Å; H975-E977 IonicContact NE2-OE2 3.79Å; H975-I1017 HydrophobicContact CB-CD1 3.83Å; H975-I1017 HydrophobicContact CB-CG1 4.45Å; H975-I1017 VanDerWaalsContact N-CD1 3.34Å; H975-D1046 IonicContact CD2-OD2 3.76Å
976N57.8Low60.2Low101 Ų10191.3 Ų91.354%0.5445%0.449SS..  trans-117.539.9177.3-75.2-0.9000110.5
977E52Low58.6Low70 Ų7097.6 Ų97.633%0.32748%0.481SS..  trans-87.1130.1168.1-66.6-170159.400110.6H975 Y979H975-E977 WeakPolarHBondContact CE1-CB 3.35Å; H975-E977 WeakPolarHBondContact CE1-CG 3.17Å; H975-E977 IonicContact CE1-OE2 3.21Å; H975-E977 PolarHBondContact CE1-OE2 3.25Å; H975-E977 IonicContact NE2-OE2 3.79Å; E977-Y979 PolarHBondContact OE2-OH 2.82Å; E977-Y979 VanDerWaalsContact OE2-OH 3.14Å
978Y41.8Very low56.8Low154 Ų154103.8 Ų103.860%0.60451%0.509SS*.  trans-92.8112171.4-59.8-87000107.3N1010Y978-N1010 HydrophobicContact CD1-CB 3.99Å; Y978-N1010 HydrophobicContact CE1-CB 4.48Å
979Y38.8Very low54.9Low131 Ų131109.9 Ų109.951%0.51454%0.542SS..  trans-81.6129.1168.1-66-76.8000109.1E977E977-Y979 PolarHBondContact OE2-OH 2.82Å; E977-Y979 VanDerWaalsContact OE2-OH 3.14Å
980R34.2Very low53Low208 Ų208115.5 Ų115.579%0.78558%0.575SS**  trans-75.1118.7161.6-82-175.5174.7175.7-1.1107.5D982R980-D982 PolarHBondContact O-N 2.96Å
981V41.1Very low50.7Low112 Ų112120 Ų12068%0.67959%0.594SS**  trans-83.2105.5164.4-1780000106.1N983V981-N983 PolarHBondContact O-N 3.1Å
982D40.5Very low48.4Very low134 Ų134124.4 Ų124.472%0.71761%0.613SS**  trans-71120.3167.9-72.9-26.6000107.6R980 V984R980-D982 PolarHBondContact O-N 2.96Å; D982-V984 PolarHBondContact O-N 3.43Å
983N40.3Very low46.1Very low158 Ų158128.4 Ų128.485%0.84563%0.633SS**  trans-60.2107.4172.8-80.7-21.6000108.7V981 S985V981-N983 PolarHBondContact O-N 3.1Å; N983-S985 PolarHBondContact O-N 2.84Å
984V40.2Very low44.1Very low144 Ų144134.6 Ų134.687%0.87367%0.666SS**  trans-67.3110.3165.6179.60000107D982D982-V984 PolarHBondContact O-N 3.43Å
985S39.4Very low42.7Very low84 Ų84132.9 Ų132.959%0.58767%0.671SS**  trans-73.9152.4169.660.70000110.9N983N983-S985 PolarHBondContact O-N 2.84Å
986D36.8Very low41.3Very low131 Ų131135.4 Ų135.470%0.70170%0.702SS**  trans74.8103.1156.2-48-35000117.5
987D40.7Very low40.6Very low139 Ų139135.5 Ų135.574%0.74371%0.711SS**  176.8141.493.5-98.5-26.8000114.2
988H40.7Very low40.1Very low151 Ų151138.8 Ų138.870%0.69973%0.731SS**  trans87.4107.2158.5-67.3-58.4000123
989D39.9Very low40.3Very low129 Ų129138.8 Ų138.869%0.6974%0.736SS**  84.396.5129.2-60.1-7.7000120.2
990T41.2Very low40.5Very low123 Ų123139 Ų13976%0.75575%0.746SS**  163108.1100.540.40000116.2
991I40.6Very low40.8Very low144 Ų144136.3 Ų136.374%0.73875%0.747SS**  64.1125.6125.2-47.7164.8000122.2
992K39.8Very low41Very low188 Ų188137.8 Ų137.882%0.81775%0.751SS**  trans96.793.9156.4-49.4-164.2-178.6-1800117.1
993Q39.9Very low41.1Very low181 Ų181139.5 Ų139.585%0.84676%0.76SS**  48.1105.374.4-80-171.7-14.200115.4
994D42Very low41.1Very low141 Ų141140.8 Ų140.875%0.75476%0.757SS**  -170.2112.4110.5-106.2-29.6000113.6
995N41.9Very low41.1Very low149 Ų149139.8 Ų139.880%0.79775%0.752SS**  trans30.4131.9133-60.8-41.1000123.3
996G38.6Very low41Very low72 Ų72139.7 Ų139.774%0.74276%0.757SS**  trans154.173.9145.900000116.7
997S41.3Very low41.2Very low102 Ų102142.8 Ų142.871%0.71376%0.764SS**  trans13.8121.3143.259.20000120.4
998D42.4Very low40.9Very low140 Ų140142.1 Ų142.175%0.74976%0.76SS**  162.4142.9102.5-89.4-23.6000113.4
999H46.1Very low40.9Very low154 Ų154142.8 Ų142.871%0.71376%0.763SS**  trans78.4106.1161.2-68.1-62.4000121.6
1000D42Very low41Very low135 Ų135141.1 Ų141.172%0.72275%0.754SS**  60.6131.7124.8-62.3-38.4000121.3
1001D41.2Very low41Very low151 Ų151139.8 Ų139.881%0.80775%0.745SS**  trans62.590.1161.5-69.5-21.6000118.1
1002D45.5Very low41.3Very low143 Ų143138.9 Ų138.977%0.76574%0.741SS**  trans-162.7103.8142.8-104.3-21.7000111.6K1004D1002-K1004 HydrophobicContact CB-CG 4.45Å; D1002-K1004 PolarHBondContact O-N 2.72Å
1003L42.1Very low41.4Very low171 Ų171134.1 Ų134.190%0.89573%0.727SS**  trans-65.179.8159.1-109.9144.2000107.9T1005L1003-T1005 PolarHBondContact O-N 3.27Å
1004K40.1Very low42Very low184 Ų184130 Ų13080%0.872%0.719SS**  trans-64.488.6168-80.4179.1179.81700108.9D1002 A1006D1002-K1004 HydrophobicContact CB-CG 4.45Å; D1002-K1004 PolarHBondContact O-N 2.72Å; K1004-A1006 PolarHBondContact O-N 2.72Å
1005T40.6Very low42.6Very low123 Ų123126 Ų12676%0.75570%0.701SS**  trans-55.1116158.438.90000107.9L1003 K1007L1003-T1005 PolarHBondContact O-N 3.27Å; T1005-K1007 PolarHBondContact O-N 2.93Å; T1005-K1007 VanDerWaalsContact O-N 3.09Å
1006A38.3Very low44.2Very low83 Ų83123.9 Ų123.969%0.68669%0.69SS**  trans-53.1117.7172.300000108.7K1004 L1008K1004-A1006 PolarHBondContact O-N 2.72Å; A1006-L1008 VanDerWaalsContact C-N 3.32Å; A1006-L1008 PolarHBondContact O-N 2.85Å
1007K39.3Very low46.5Very low195 Ų195120.6 Ų120.685%0.84866%0.655SS**  trans-59.797167.8-94.5-179.4171.6179.60107.9T1005 E1009T1005-K1007 PolarHBondContact O-N 2.93Å; T1005-K1007 VanDerWaalsContact O-N 3.09Å; K1007-E1009 PolarHBondContact O-N 3.35Å
1008L35.1Very low48.9Very low126 Ų126121.6 Ų121.666%0.6664%0.644SS**  trans-70105.6163.4-85.6121.1000108A1006 N1010A1006-L1008 VanDerWaalsContact C-N 3.32Å; A1006-L1008 PolarHBondContact O-N 2.85Å; L1008-N1010 PolarHBondContact O-N 2.98Å
1009E41.7Very low51.4Low165 Ų165114.9 Ų114.977%0.77161%0.608SS**  trans-82.8109.3168.9-76.1-171.7165.500109.6K1007 V1011K1007-E1009 PolarHBondContact O-N 3.35Å; E1009-V1011 PolarHBondContact O-N 3.14Å
1010N41Very low53.7Low94 Ų94109.6 Ų109.650%0.50358%0.584SS.*  trans-72.3107.5171.2-73-18.9000109.6Y978 L1008Y978-N1010 HydrophobicContact CD1-CB 3.99Å; Y978-N1010 HydrophobicContact CE1-CB 4.48Å; L1008-N1010 PolarHBondContact O-N 2.98Å
1011V41.1Very low56.2Low94 Ų94103.4 Ų103.457%0.5755%0.551SS**  trans-85115.6172.5-179.50000109.5E1009 V1013E1009-V1011 PolarHBondContact O-N 3.14Å; V1011-V1013 HydrophobicContact CG1-CG2 4.27Å; V1011-V1013 PolarHBondContact O-N 3.4Å
1012I46.4Very low58.7Low125 Ų12596.7 Ų96.764%0.64152%0.515SS*.  trans-76.1102.5171.8-60170.7000108.1S1014I1012-S1014 PolarHBondContact O-N 2.79Å
1013V43.8Very low61Low88 Ų8890.6 Ų90.653%0.53348%0.483SS..  trans-84.999.6167.7-175.70000107.9V1011 S1015V1011-V1013 HydrophobicContact CG1-CG2 4.27Å; V1011-V1013 PolarHBondContact O-N 3.4Å; V1013-S1015 PolarHBondContact O-N 2.86Å
1014S51.7Low63.4Low96 Ų9682.4 Ų82.467%0.67144%0.44SS*.  trans-69.991.1171.3161.40000109.3I1012I1012-S1014 PolarHBondContact O-N 2.79Å
1015S55Low65.7Low55 Ų5573.7 Ų73.739%0.38540%0.402SS..  trans-68.4141.7168.158.20000110.5V1013 I1017V1013-S1015 PolarHBondContact O-N 2.86Å; S1015-I1017 VanDerWaalsContact C-N 3.27Å; S1015-I1017 PolarHBondContact O-N 2.84Å
1016D74.9Confident67.9Low105 Ų10567.9 Ų67.956%0.56137%0.366SS*.  trans-73.879.4178.2-112.9-4.8000109.6
1017I86.6Confident69.9Low3 Ų365 Ų652%0.01534%0.34CS..  trans-58.4142.1173.6-64.6174.8000109.1R947 G948 I973 H975 S1015 C1044 D1046R947-I1017 CarbonylContact C-O 3.41Å; R947-I1017 VanDerWaalsContact C-O 3.32Å; R947-I1017 VanDerWaalsContact CA-O 3.3Å; R947-I1017 WeakPolarHBondContact CA-O 3.33Å; R947-I1017 PolarHBondContact N-O 3.05Å; R947-I1017 VanDerWaalsContact N-O 3.08Å; G948-I1017 PolarHBondContact N-O 2.92Å; I973-I1017 HydrophobicContact CG2-CD1 4.26Å; H975-I1017 HydrophobicContact CB-CD1 3.83Å; H975-I1017 HydrophobicContact CB-CG1 4.45Å; H975-I1017 VanDerWaalsContact N-CD1 3.34Å; S1015-I1017 VanDerWaalsContact C-N 3.27Å; S1015-I1017 PolarHBondContact O-N 2.84Å; I1017-C1044 HydrophobicContact CG2-CB 4.22Å; I1017-D1046 WeakPolarHBondContact CD1-OD2 2.9Å
1018R91.8Very high71.4Confident123 Ų12357.1 Ų57.146%0.46431%0.309SS..  trans-120.2134.2169.4-53.7177.2-176.9172.5-1.4108.9G945 M1020 C1044 S1045G945-R1018 WeakPolarHBondContact O-CA 3.23Å; R1018-M1020 HydrophobicContact CB-SD 3.86Å; R1018-C1044 CarbonylContact O-C 3.21Å; R1018-C1044 WeakPolarHBondContact O-CA 3.46Å; R1018-S1045 PolarHBondContact N-OG 2.97Å; R1018-S1045 PolarHBondContact O-N 2.83Å
1019V94.6Very high72.9Confident0 Ų055.7 Ų55.70%030%0.295CS..EExtended strand (participates in β ladder)trans-83115.6164.7-176.50000106.8A944 G945 I950 I973 A1042A944-V1019 HydrophobicContact CB-CB 3.6Å; A944-V1019 HydrophobicContact CB-CG1 3.52Å; A944-V1019 HydrophobicContact CB-CG2 4.08Å; G945-V1019 WeakPolarHBondContact CA-O 3.23Å; G945-V1019 PolarHBondContact O-N 2.91Å; I950-V1019 HydrophobicContact CG1-CG2 4.14Å; I973-V1019 HydrophobicContact CD1-CG2 3.8Å; V1019-A1042 HydrophobicContact CG1-CB 3.99Å
1020M94.5Very high73.8Confident43 Ų4352.7 Ų52.721%0.21228%0.281CS..EExtended strand (participates in β ladder)trans-92.1-38.5-172.5-63.4-61.8-64.800111.1R1018 G1043 C1090 L1091R1018-M1020 HydrophobicContact CB-SD 3.86Å; M1020-G1043 PolarHBondContact N-O 3.46Å; M1020-C1090 WeakPolarHBondContact CB-O 3.49Å; M1020-C1090 WeakPolarHBondContact CG-O 3.42Å; M1020-L1091 HydrophobicContact CE-CD2 4.31Å
1021A94.7Very high74.3Confident4 Ų458.1 Ų58.13%0.03330%0.303CS..EExtended strand (participates in β ladder)trans-144153.3176.200000111.6G1043 L1093A1021-G1043 PolarHBondContact N-O 3.22Å; A1021-G1043 PolarHBondContact O-N 2.95Å; A1021-L1093 HydrophobicContact CB-CB 3.71Å; A1021-L1093 VanDerWaalsContact CB-N 3.34Å
1022L94.4Very high74.5Confident10 Ų1061.3 Ų61.35%0.05232%0.317CS..EExtended strand (participates in β ladder)trans-147131.6-176.9-179.6144.6000110C918 N920 L942 A944 I950 C1024 V1040 I1041C918-L1022 HydrophobicContact CB-CB 4.49Å; C918-L1022 VanDerWaalsContact SG-CB 3.57Å; N920-L1022 HydrophobicContact CB-CD2 4.41Å; N920-L1022 PolarHBondContact ND2-O 3.08Å; L942-L1022 HydrophobicContact CB-CD2 3.99Å; A944-L1022 HydrophobicContact CB-CD1 4.04Å; I950-L1022 HydrophobicContact CD1-CD1 4.42Å; I950-L1022 HydrophobicContact CG1-CD1 4.5Å; I950-L1022 HydrophobicContact CG2-CD1 4.21Å; L1022-C1024 HydrophobicContact CD2-CB 4.24Å; L1022-V1040 HydrophobicContact CD1-CG1 3.32Å; L1022-V1040 HydrophobicContact CD2-CG1 4.3Å; L1022-V1040 HydrophobicContact CG-CG1 3.69Å; L1022-I1041 WeakPolarHBondContact CA-O 3.25Å
1023D93.9Very high74.8Confident15 Ų1558.8 Ų58.88%0.0830%0.302CS..EExtended strand (participates in β ladder)trans-122.9154165-143.9-20.7000109.1N920 I1041 L1093 L1095N920-D1023 PolarHBondContact ND2-OD1 3.18Å; D1023-I1041 PolarHBondContact N-O 2.96Å; D1023-I1041 PolarHBondContact O-N 3.4Å; D1023-L1093 HydrophobicContact CB-CD2 3.61Å; D1023-L1095 HydrophobicContact CB-CB 4.39Å; D1023-L1095 WeakPolarHBondContact OD2-CB 2.92Å; D1023-L1095 PolarHBondContact OD2-N 3.31Å
1024C92.4Very high75.1Confident0 Ų059.6 Ų59.60%030%0.303CS..EExtended strand (participates in β ladder)trans-149.4149.6-173.851.70000112.9P922 Y923 L942 L1022 I1038 L1039 V1040P922-C1024 CarbonylContact C-O 3.51Å; P922-C1024 WeakPolarHBondContact CA-O 3.45Å; P922-C1024 WeakPolarHBondContact CA-SG 2.84Å; P922-C1024 HydrophobicContact CB-CB 4.35Å; Y923-C1024 PolarHBondContact N-O 2.78Å; L942-C1024 HydrophobicContact CD1-CB 4.44Å; L1022-C1024 HydrophobicContact CD2-CB 4.24Å; C1024-I1038 HydrophobicContact CB-CG2 4.18Å; C1024-L1039 CarbonylContact C-O 3.45Å; C1024-L1039 WeakPolarHBondContact CA-O 3.22Å; C1024-L1039 WeakPolarHBondContact CB-O 3.31Å; C1024-V1040 HydrophobicContact CB-CG2 4.22Å
1025V88.8Confident75.6Confident1 Ų155.6 Ų55.61%0.00627%0.274CS..EExtended strand (participates in β ladder)trans-130.9127.7-176.9-177.40000109.1Y923 L925 I1038 L1039 L1095 I1098 I1103 W1121Y923-V1025 HydrophobicContact CD1-CG1 4.37Å; Y923-V1025 CarbonylContact O-C 3.54Å; Y923-V1025 WeakPolarHBondContact O-CA 3.4Å; Y923-V1025 WeakPolarHBondContact O-CG1 3.43Å; L925-V1025 HydrophobicContact CB-CG1 4.45Å; V1025-I1038 CarbonylContact O-C 3.59Å; V1025-I1038 VanDerWaalsContact O-CA 3.27Å; V1025-I1038 WeakPolarHBondContact O-CA 3.31Å; V1025-L1039 PolarHBondContact N-O 3.22Å; V1025-L1039 PolarHBondContact O-N 2.91Å; V1025-L1095 HydrophobicContact CG2-CD2 4.06Å; V1025-I1098 HydrophobicContact CB-CD1 4.06Å; V1025-I1098 HydrophobicContact CG1-CD1 3.48Å; V1025-I1098 VanDerWaalsContact CG1-CD1 3.48Å; V1025-I1098 HydrophobicContact CG2-CD1 3.51Å; V1025-I1103 HydrophobicContact CG2-CD1 4.45Å; V1025-W1121 HydrophobicContact CB-CH2 4.48Å; V1025-W1121 HydrophobicContact CG1-CH2 4Å
1026Q86.8Confident76.5Confident0 Ų053.2 Ų53.20%026%0.257CS..EExtended strand (participates in β ladder)trans-98.2124.4172.6178.4177.1-10.900109.7P922 Y923 I924 L925 I1038P922-Q1026 HydrophobicContact CB-CB 3.77Å; P922-Q1026 HydrophobicContact CG-CB 4.06Å; Y923-Q1026 PolarHBondContact O-N 3.3Å; I924-Q1026 HydrophobicContact CG1-CB 4.47Å; L925-Q1026 PolarHBondContact N-O 2.82Å; Q1026-I1038 HydrophobicContact CB-CG1 4.4Å; Q1026-I1038 HydrophobicContact CG-CG1 4.45Å
1027V80.1Confident76.8Confident23 Ų2349.1 Ų49.114%0.13924%0.236CC..EExtended strand (participates in β ladder)trans-94112166.2-177.30000106.9L925 N1037 P1123 F1152L925-V1027 HydrophobicContact CD2-CG2 4.28Å; V1027-N1037 PolarHBondContact N-O 3.2Å; V1027-N1037 PolarHBondContact O-N 3.12Å; V1027-P1123 HydrophobicContact CG1-CB 4.39Å; V1027-P1123 HydrophobicContact CG2-CB 4.41Å; V1027-F1152 HydrophobicContact CG2-CD1 4.29Å; V1027-F1152 HydrophobicContact CG2-CE1 3.9Å
1028P69.2Low76.9Confident29 Ų2949 Ų4919%0.18824%0.235CC..PPolyproline II helixtrans-65.5153.5-179.625.8-31.8000111.4I924 L925 V936I924-P1028 HydrophobicContact CG2-CG 4.49Å; L925-P1028 VanDerWaalsContact O-CD 3.26Å; L925-P1028 WeakPolarHBondContact O-CD 3.49Å; L925-P1028 WeakPolarHBondContact O-CG 3.45Å; V936-P1028 HydrophobicContact CG1-CB 4.46Å; V936-P1028 HydrophobicContact CG2-CB 4.29Å
1029R67.2Low76.9Confident97 Ų9743.1 Ų43.137%0.36621%0.213SC..PPolyproline II helixtrans-56.4135.6175.8-68.9171.6-149.2-157.42111L1034 D1035 D1036R1029-L1034 PolarHBondContact NH1-O 3.34Å; R1029-D1035 VanDerWaalsContact CG-C 3.45Å; R1029-D1035 WeakPolarHBondContact CG-O 3.42Å; R1029-D1036 WeakPolarHBondContact CG-OD1 3.34Å; R1029-D1036 IonicContact CZ-OD1 2.84Å; R1029-D1036 IonicContact CZ-OD2 3.56Å; R1029-D1036 VanDerWaalsContact NE-CG 3.28Å; R1029-D1036 IonicContact NE-OD1 2.79Å; R1029-D1036 PolarHBondContact NE-OD1 2.81Å; R1029-D1036 IonicContact NE-OD2 3.94Å; R1029-D1036 PolarHBondContact NE-OD2 2.66Å; R1029-D1036 IonicContact NH2-OD1 3.65Å; R1029-D1036 IonicContact NH2-OD2 3.66Å; R1029-D1036 PolarHBondContact NH2-OD2 3.34Å
1030Q60.2Low76.9Confident102 Ų10243.1 Ų43.148%0.47721%0.213SC..PPolyproline II helixtrans-88.9159.5159.9-70.1-177.6-4.900109D1032 Q1033Q1030-D1032 PolarHBondContact O-N 3.34Å; Q1030-Q1033 PolarHBondContact O-N 2.97Å
1031E51.8Low76.9Confident207 Ų20741.1 Ų41.197%0.96720%0.203SC*.THydrogen-bonded Turntrans-51.5-26.9-178.1-71.4-177.815800113.5
1032D46.6Very low76.9Confident161 Ų16141 Ų4186%0.86120%0.201SC*.THydrogen-bonded Turntrans-93.3-2.9179.2-65.4-33.1000115.2Q1030Q1030-D1032 PolarHBondContact O-N 3.34Å
1033Q51.4Low76.8Confident72 Ų7240.5 Ų40.534%0.33620%0.199SC..  trans-114.8126.6-179.4-69.8-166.92.700112.3Q1030 D1035Q1030-Q1033 PolarHBondContact O-N 2.97Å; Q1033-D1035 VanDerWaalsContact C-N 3.35Å; Q1033-D1035 PolarHBondContact O-N 2.85Å
1034L50.4Low76.8Confident106 Ų10639.8 Ų39.856%0.55520%0.195SC*.SBendtrans-70.5-25.5-175.5-73.7160.1000113.8R1029R1029-L1034 PolarHBondContact NH1-O 3.34Å
1035D62.6Low76.8Confident11 Ų1141.5 Ų41.56%0.05921%0.207CC..SBendtrans-129.3143.2-161.1-60.7-2.6000112.7R1029 Q1033 Q1055 S1058 N1061R1029-D1035 VanDerWaalsContact CG-C 3.45Å; R1029-D1035 WeakPolarHBondContact CG-O 3.42Å; Q1033-D1035 VanDerWaalsContact C-N 3.35Å; Q1033-D1035 PolarHBondContact O-N 2.85Å; D1035-Q1055 HydrophobicContact CB-CG 4.15Å; D1035-Q1055 PolarHBondContact OD2-NE2 2.79Å; D1035-S1058 WeakPolarHBondContact OD1-CB 3.39Å; D1035-S1058 PolarHBondContact OD1-OG 2.75Å; D1035-N1061 PolarHBondContact OD2-ND2 2.8Å
1036D72.9Confident76.7Confident5 Ų542.1 Ų42.13%0.02721%0.21CC..  trans-68.9145.2169.3-57.5-50.3000109Y940 R1029 P1056Y940-D1036 HydrophobicContact CE2-CB 4.3Å; Y940-D1036 PolarHBondContact OH-OD2 2.95Å; R1029-D1036 WeakPolarHBondContact CG-OD1 3.34Å; R1029-D1036 IonicContact CZ-OD1 2.84Å; R1029-D1036 IonicContact CZ-OD2 3.56Å; R1029-D1036 VanDerWaalsContact NE-CG 3.28Å; R1029-D1036 IonicContact NE-OD1 2.79Å; R1029-D1036 PolarHBondContact NE-OD1 2.81Å; R1029-D1036 IonicContact NE-OD2 3.94Å; R1029-D1036 PolarHBondContact NE-OD2 2.66Å; R1029-D1036 IonicContact NH2-OD1 3.65Å; R1029-D1036 IonicContact NH2-OD2 3.66Å; R1029-D1036 PolarHBondContact NH2-OD2 3.34Å; D1036-P1056 HydrophobicContact CB-CG 4.44Å; D1036-P1056 WeakPolarHBondContact O-CD 3.39Å
1037N82.8Confident76.7Confident20 Ų2042.3 Ų42.311%0.10721%0.212CC..EExtended strand (participates in β ladder)trans-118.4129.7174.5-71.6-68.2000110.2V1027 H1053 F1152V1027-N1037 PolarHBondContact N-O 3.2Å; V1027-N1037 PolarHBondContact O-N 3.12Å; N1037-H1053 PolarHBondContact OD1-NE2 2.78Å; N1037-F1152 HydrophobicContact CB-CE1 4.21Å; N1037-F1152 HydrophobicContact CB-CZ 4.12Å
1038I88.9Confident77.1Confident0 Ų043 Ų430%021%0.213CC..EExtended strand (participates in β ladder)trans-118121179-54.2173.4000109P922 Y940 L942 L952 C1024 V1025 Q1026 V1040 V1054 P1056P922-I1038 HydrophobicContact CB-CG2 4.39Å; Y940-I1038 HydrophobicContact CD2-CD1 3.78Å; Y940-I1038 HydrophobicContact CE2-CD1 4.37Å; Y940-I1038 HydrophobicContact CG-CD1 4.04Å; L942-I1038 HydrophobicContact CD1-CD1 4.36Å; L942-I1038 HydrophobicContact CD1-CG2 4.23Å; L952-I1038 HydrophobicContact CD1-CD1 4.14Å; C1024-I1038 HydrophobicContact CB-CG2 4.18Å; V1025-I1038 CarbonylContact O-C 3.59Å; V1025-I1038 VanDerWaalsContact O-CA 3.27Å; V1025-I1038 WeakPolarHBondContact O-CA 3.31Å; Q1026-I1038 HydrophobicContact CB-CG1 4.4Å; Q1026-I1038 HydrophobicContact CG-CG1 4.45Å; I1038-V1040 HydrophobicContact CG2-CG2 4.04Å; I1038-V1054 HydrophobicContact CB-CB 4.17Å; I1038-V1054 PolarHBondContact N-O 2.86Å; I1038-V1054 PolarHBondContact O-N 2.89Å; I1038-P1056 HydrophobicContact CD1-CG 3.91Å; I1038-P1056 HydrophobicContact CG1-CG 4.41Å
1039L91.4Very high78.2Confident0 Ų041.7 Ų41.70%020%0.204CC..EExtended strand (participates in β ladder)trans-88129.5166.9179.265.9000108.9C1024 V1025 L1051 I1070 I1103 W1121 F1152 L1154C1024-L1039 CarbonylContact C-O 3.45Å; C1024-L1039 WeakPolarHBondContact CA-O 3.22Å; C1024-L1039 WeakPolarHBondContact CB-O 3.31Å; V1025-L1039 PolarHBondContact N-O 3.22Å; V1025-L1039 PolarHBondContact O-N 2.91Å; L1039-L1051 HydrophobicContact CD1-CB 4.46Å; L1039-I1070 HydrophobicContact CD1-CD1 3.5Å; L1039-I1103 HydrophobicContact CD2-CD1 3.88Å; L1039-W1121 HydrophobicContact CD2-CE3 3.95Å; L1039-W1121 HydrophobicContact CD2-CZ3 3.52Å; L1039-F1152 HydrophobicContact CB-CD2 4.49Å; L1039-F1152 HydrophobicContact CB-CE1 4.08Å; L1039-F1152 HydrophobicContact CB-CE2 4.02Å; L1039-F1152 HydrophobicContact CB-CZ 3.79Å; L1039-F1152 HydrophobicContact CD1-CD2 4.08Å; L1039-F1152 HydrophobicContact CD1-CE2 4.03Å; L1039-L1154 HydrophobicContact CD1-CD1 4.35Å
1040V93.6Very high79.3Confident0 Ų037.1 Ų37.10%019%0.186CC..EExtended strand (participates in β ladder)trans-117.1127.9178.5178.50000109.2L942 I950 L1022 C1024 I1038 L1051 I1052 V1054L942-V1040 HydrophobicContact CD2-CG2 3.37Å; I950-V1040 HydrophobicContact CD1-CG1 4.47Å; L1022-V1040 HydrophobicContact CD1-CG1 3.32Å; L1022-V1040 HydrophobicContact CD2-CG1 4.3Å; L1022-V1040 HydrophobicContact CG-CG1 3.69Å; C1024-V1040 HydrophobicContact CB-CG2 4.22Å; I1038-V1040 HydrophobicContact CG2-CG2 4.04Å; V1040-L1051 CarbonylContact O-C 3.59Å; V1040-L1051 WeakPolarHBondContact O-CA 3.2Å; V1040-I1052 HydrophobicContact CB-CB 4.15Å; V1040-I1052 WeakPolarHBondContact CB-O 3.5Å; V1040-I1052 PolarHBondContact N-O 2.81Å; V1040-I1052 PolarHBondContact O-N 3.35Å; V1040-V1054 HydrophobicContact CG2-CG2 3.68Å
1041I94.3Very high80.8Confident1 Ų132.3 Ų32.31%0.00516%0.164CC..EExtended strand (participates in β ladder)trans-109.3110.5175-48.2176.6000107.3L1022 D1023 V1049 L1051 L1093 L1095 I1103 F1105L1022-I1041 WeakPolarHBondContact CA-O 3.25Å; D1023-I1041 PolarHBondContact N-O 2.96Å; D1023-I1041 PolarHBondContact O-N 3.4Å; I1041-V1049 HydrophobicContact CG2-CG1 3.63Å; I1041-L1051 HydrophobicContact CB-CD2 4.28Å; I1041-L1051 HydrophobicContact CG1-CD2 3.86Å; I1041-L1051 HydrophobicContact CG2-CD2 3.95Å; I1041-L1093 HydrophobicContact CB-CD1 4.41Å; I1041-L1093 HydrophobicContact CB-CD2 4.27Å; I1041-L1093 HydrophobicContact CG2-CD1 3.55Å; I1041-L1093 HydrophobicContact CG2-CD2 4.09Å; I1041-L1093 HydrophobicContact CG2-CG 4.45Å; I1041-L1095 HydrophobicContact CD1-CD1 4.28Å; I1041-I1103 HydrophobicContact CD1-CD1 3.81Å; I1041-F1105 HydrophobicContact CD1-CB 4.48Å; I1041-F1105 HydrophobicContact CD1-CD1 3.93Å; I1041-F1105 HydrophobicContact CD1-CE1 4.43Å; I1041-F1105 HydrophobicContact CD1-CG 4.25Å; I1041-F1105 HydrophobicContact CG2-CD2 4.25Å; I1041-F1105 HydrophobicContact CG2-CE2 4.25Å; I1041-F1105 HydrophobicContact CG2-CG 4.45Å; I1041-F1105 HydrophobicContact CG2-CZ 4.43Å
1042A94.4Very high82.7Confident0 Ų022.7 Ų22.70%012%0.119CC..EExtended strand (participates in β ladder)trans-115117-173.700000111.7I950 V1019 V1049 R1050I950-A1042 HydrophobicContact CD1-CB 4.27Å; V1019-A1042 HydrophobicContact CG1-CB 3.99Å; A1042-V1049 WeakPolarHBondContact O-CA 2.74Å; A1042-R1050 HydrophobicContact CB-CB 4.49Å; A1042-R1050 PolarHBondContact N-O 2.78Å; A1042-R1050 PolarHBondContact O-N 3.13Å
1043G93.6Very high84.8Confident0 Ų015.2 Ų15.20%08%0.079CC..EExtended strand (participates in β ladder)trans-85.1124.2170.900000110.6M1020 A1021M1020-G1043 PolarHBondContact N-O 3.46Å; A1021-G1043 PolarHBondContact N-O 3.22Å; A1021-G1043 PolarHBondContact O-N 2.95Å
1044C93.3Very high86.6Confident0 Ų011.8 Ų11.80%06%0.063CC..EExtended strand (participates in β ladder)trans-115.2157.6-169.3-610000113.2I1017 R1018 D1046 G1047 Y1048 R1050 C1090I1017-C1044 HydrophobicContact CG2-CB 4.22Å; R1018-C1044 CarbonylContact O-C 3.21Å; R1018-C1044 WeakPolarHBondContact O-CA 3.46Å; C1044-D1046 WeakPolarHBondContact CB-OD1 3.06Å; C1044-D1046 PolarHBondContact O-N 3.01Å; C1044-G1047 PolarHBondContact O-N 3.1Å; C1044-Y1048 WeakPolarHBondContact CB-O 3.37Å; C1044-Y1048 PolarHBondContact N-O 3.47Å; C1044-R1050 PolarHBondContact SG-NH1 2.89Å; C1044-C1090 WeakPolarHBondContact O-CB 3.48Å; C1044-C1090 PolarHBondContact O-N 2.83Å; C1044-C1090 VanDerWaalsContact O-N 3.15Å
1045S91.7Very high88.3Confident36 Ų369 Ų925%0.2525%0.047SC..THydrogen-bonded Turntrans-70.6-15.5-178.266.50000114.8R1018 C1089R1018-S1045 PolarHBondContact N-OG 2.97Å; R1018-S1045 PolarHBondContact O-N 2.83Å; S1045-C1089 VanDerWaalsContact CA-SG 3.51Å
1046D88.1Confident89.1Confident15 Ų158.6 Ų8.68%0.085%0.045CC..THydrogen-bonded Turntrans-85.39.9170.763.7-8.2000112.4H975 I1017 C1044 Y1048 R1050 I1087H975-D1046 IonicContact CD2-OD2 3.76Å; I1017-D1046 WeakPolarHBondContact CD1-OD2 2.9Å; C1044-D1046 WeakPolarHBondContact CB-OD1 3.06Å; C1044-D1046 PolarHBondContact O-N 3.01Å; D1046-Y1048 VanDerWaalsContact C-N 3.27Å; D1046-Y1048 HydrophobicContact CB-CD2 4.34Å; D1046-Y1048 VanDerWaalsContact O-CD2 3.27Å; D1046-Y1048 WeakPolarHBondContact O-CD2 3.35Å; D1046-Y1048 PolarHBondContact O-N 3.21Å; D1046-Y1048 PolarHBondContact OD1-N 3.05Å; D1046-R1050 VanDerWaalsContact CG-NH1 3.32Å; D1046-R1050 IonicContact OD1-CZ 3.27Å; D1046-R1050 IonicContact OD1-NH1 3.98Å; D1046-R1050 PolarHBondContact OD1-NH1 2.9Å; D1046-R1050 IonicContact OD1-NH2 2.66Å; D1046-R1050 IonicContact OD2-CZ 2.79Å; D1046-R1050 VanDerWaalsContact OD2-CZ 3.27Å; D1046-R1050 IonicContact OD2-NH1 3.51Å; D1046-R1050 PolarHBondContact OD2-NH1 3.24Å; D1046-R1050 IonicContact OD2-NH2 3.81Å; D1046-R1050 PolarHBondContact OD2-NH2 2.85Å; D1046-I1087 VanDerWaalsContact C-CG2 3.46Å; D1046-I1087 WeakPolarHBondContact O-CG2 3.02Å
1047G86.2Confident88.8Confident3 Ų39.3 Ų9.33%0.0315%0.051CC..SBendtrans80.6-3.5174.100000115.9C1044 P1075 S1088 C1090C1044-G1047 PolarHBondContact O-N 3.1Å; G1047-P1075 WeakPolarHBondContact O-CD 3.45Å; G1047-P1075 WeakPolarHBondContact O-CG 3.41Å; G1047-S1088 WeakPolarHBondContact CA-O 3.34Å; G1047-C1090 PolarHBondContact O-SG 3.27Å
1048Y89.4Confident87.7Confident39 Ų398.8 Ų8.815%0.1535%0.049CC..  trans-85.8143.5176.1-69-93.2000111.7C1044 D1046 R1072 N1074C1044-Y1048 WeakPolarHBondContact CB-O 3.37Å; C1044-Y1048 PolarHBondContact N-O 3.47Å; D1046-Y1048 VanDerWaalsContact C-N 3.27Å; D1046-Y1048 HydrophobicContact CB-CD2 4.34Å; D1046-Y1048 VanDerWaalsContact O-CD2 3.27Å; D1046-Y1048 WeakPolarHBondContact O-CD2 3.35Å; D1046-Y1048 PolarHBondContact O-N 3.21Å; D1046-Y1048 PolarHBondContact OD1-N 3.05Å; Y1048-R1072 HydrophobicContact CD1-CB 4.16Å; Y1048-N1074 HydrophobicContact CD1-CB 4.01Å; Y1048-N1074 HydrophobicContact CE1-CB 3.67Å
1049V91.3Very high86Confident0 Ų010.1 Ų10.10%06%0.062CC..EExtended strand (participates in β ladder)trans-94.9127.6161.4-178.10000108.3I1041 A1042 I1073 L1093 F1105 I1107 W1117I1041-V1049 HydrophobicContact CG2-CG1 3.63Å; A1042-V1049 WeakPolarHBondContact O-CA 2.74Å; V1049-I1073 HydrophobicContact CB-CB 4.3Å; V1049-I1073 PolarHBondContact N-O 3.01Å; V1049-I1073 PolarHBondContact O-N 2.95Å; V1049-L1093 HydrophobicContact CG1-CD1 4.11Å; V1049-F1105 HydrophobicContact CG1-CE2 3.92Å; V1049-F1105 HydrophobicContact CG1-CZ 4.31Å; V1049-I1107 HydrophobicContact CG2-CD1 3.78Å; V1049-I1107 HydrophobicContact CG2-CG2 3.78Å; V1049-W1117 HydrophobicContact CG2-CH2 4.32Å; V1049-W1117 HydrophobicContact CG2-CZ3 4.43Å
1050R90.6Very high84Confident1 Ų114.8 Ų14.80%0.0049%0.087CC..EExtended strand (participates in β ladder)trans-112.2129-178-65.5-179.716688.80.1110.6I973 A1042 C1044 D1046 I1052 E1069 R1072I973-R1050 VanDerWaalsContact CG2-NE 3.3Å; A1042-R1050 HydrophobicContact CB-CB 4.49Å; A1042-R1050 PolarHBondContact N-O 2.78Å; A1042-R1050 PolarHBondContact O-N 3.13Å; C1044-R1050 PolarHBondContact SG-NH1 2.89Å; D1046-R1050 VanDerWaalsContact CG-NH1 3.32Å; D1046-R1050 IonicContact OD1-CZ 3.27Å; D1046-R1050 IonicContact OD1-NH1 3.98Å; D1046-R1050 PolarHBondContact OD1-NH1 2.9Å; D1046-R1050 IonicContact OD1-NH2 2.66Å; D1046-R1050 IonicContact OD2-CZ 2.79Å; D1046-R1050 VanDerWaalsContact OD2-CZ 3.27Å; D1046-R1050 IonicContact OD2-NH1 3.51Å; D1046-R1050 PolarHBondContact OD2-NH1 3.24Å; D1046-R1050 IonicContact OD2-NH2 3.81Å; D1046-R1050 PolarHBondContact OD2-NH2 2.85Å; R1050-I1052 HydrophobicContact CB-CD1 4.23Å; R1050-I1052 HydrophobicContact CB-CG1 4.26Å; R1050-E1069 WeakPolarHBondContact CD-OE1 3.38Å; R1050-E1069 WeakPolarHBondContact CG-OE1 3.22Å; R1050-E1069 IonicContact NE-OE1 3.87Å; R1050-E1069 PolarHBondContact NE-OE1 2.83Å; R1050-E1069 VanDerWaalsContact NE-OE1 3.15Å; R1050-R1072 HydrophobicContact CG-CG 4.25Å
1051L91.8Very high81.9Confident2 Ų218.3 Ų18.31%0.0111%0.106CC..EExtended strand (participates in β ladder)trans-95.3120.4171.2-58.7-177.6000108L1039 V1040 I1041 I1070 E1071 I1073 L1154 L1156L1039-L1051 HydrophobicContact CD1-CB 4.46Å; V1040-L1051 CarbonylContact O-C 3.59Å; V1040-L1051 WeakPolarHBondContact O-CA 3.2Å; I1041-L1051 HydrophobicContact CB-CD2 4.28Å; I1041-L1051 HydrophobicContact CG1-CD2 3.86Å; I1041-L1051 HydrophobicContact CG2-CD2 3.95Å; L1051-I1070 HydrophobicContact CB-CB 4.22Å; L1051-I1070 HydrophobicContact CB-CD1 4.46Å; L1051-I1070 PolarHBondContact O-N 2.86Å; L1051-E1071 HydrophobicContact CB-CB 4.47Å; L1051-E1071 HydrophobicContact CD1-CB 4.37Å; L1051-E1071 PolarHBondContact N-O 3.02Å; L1051-E1071 PolarHBondContact O-N 2.82Å; L1051-I1073 HydrophobicContact CD1-CD1 4.28Å; L1051-I1073 HydrophobicContact CG-CD1 4.48Å; L1051-L1154 HydrophobicContact CD1-CD1 4.11Å; L1051-L1156 HydrophobicContact CD1-CD2 4.31Å
1052I91.3Very high79.8Confident4 Ų420.4 Ų20.42%0.02112%0.119CC..EExtended strand (participates in β ladder)trans-127.5123.5-173.2-59.7168.6000108.8I950 I973 V1040 R1050 V1054 F1067 S1068 E1069I950-I1052 HydrophobicContact CD1-CD1 3.37Å; I973-I1052 HydrophobicContact CD1-CD1 3.91Å; I973-I1052 HydrophobicContact CG1-CD1 4.29Å; V1040-I1052 HydrophobicContact CB-CB 4.15Å; V1040-I1052 WeakPolarHBondContact CB-O 3.5Å; V1040-I1052 PolarHBondContact N-O 2.81Å; V1040-I1052 PolarHBondContact O-N 3.35Å; R1050-I1052 HydrophobicContact CB-CD1 4.23Å; R1050-I1052 HydrophobicContact CB-CG1 4.26Å; I1052-V1054 HydrophobicContact CG2-CG2 4.18Å; I1052-F1067 HydrophobicContact CG2-CB 4.48Å; I1052-S1068 CarbonylContact C-O 3.58Å; I1052-S1068 WeakPolarHBondContact CA-O 3.4Å; I1052-E1069 HydrophobicContact CG1-CG 4.47Å
1053H90.9Very high78Confident4 Ų425.2 Ų25.22%0.01914%0.141CC..EExtended strand (participates in β ladder)trans-81.8128.8168.8172.7-133.3000109.6N1037 F1067 S1068 I1070 I1151 F1152N1037-H1053 PolarHBondContact OD1-NE2 2.78Å; H1053-F1067 WeakPolarHBondContact O-CA 3.34Å; H1053-S1068 PolarHBondContact N-O 3.35Å; H1053-S1068 PolarHBondContact ND1-OG 3.19Å; H1053-S1068 PolarHBondContact O-N 3.22Å; H1053-I1070 HydrophobicContact CB-CD1 3.92Å; H1053-I1070 HydrophobicContact CB-CG1 3.9Å; H1053-I1151 WeakPolarHBondContact CE1-CD1 3.36Å; H1053-I1151 WeakPolarHBondContact ND1-CD1 3.38Å; H1053-F1152 HydrophobicContact CB-CE2 3.98Å; H1053-F1152 AromaticContact CD2-CE2 3.54Å; H1053-F1152 AromaticContact CD2-CZ 3.7Å; H1053-F1152 AromaticContact CG-CE2 3.99Å
1054V89.4Confident76.7Confident0 Ų029 Ų290%016%0.156CC..EExtended strand (participates in β ladder)trans-119.1118.8172.9-176.40000108.8L952 I1038 V1040 I1052 P1056 K1066 F1067L952-V1054 HydrophobicContact CD2-CG1 3.92Å; I1038-V1054 HydrophobicContact CB-CB 4.17Å; I1038-V1054 PolarHBondContact N-O 2.86Å; I1038-V1054 PolarHBondContact O-N 2.89Å; V1040-V1054 HydrophobicContact CG2-CG2 3.68Å; I1052-V1054 HydrophobicContact CG2-CG2 4.18Å; V1054-P1056 WeakPolarHBondContact O-CD 3.26Å; V1054-K1066 VanDerWaalsContact CA-O 3.31Å; V1054-K1066 WeakPolarHBondContact CA-O 3.31Å; V1054-F1067 HydrophobicContact CB-CD1 4.42Å; V1054-F1067 HydrophobicContact CG1-CD1 4.2Å; V1054-F1067 HydrophobicContact CG1-CE1 3.93Å; V1054-F1067 HydrophobicContact CG1-CZ 4.22Å; V1054-F1067 HydrophobicContact CG2-CD1 3.5Å; V1054-F1067 VanDerWaalsContact CG2-CD1 3.5Å; V1054-F1067 HydrophobicContact CG2-CE1 3.74Å; V1054-F1067 HydrophobicContact CG2-CG 4.36Å
1055Q85.5Confident76Confident49 Ų4929.4 Ų29.423%0.22916%0.159CC..EExtended strand (participates in β ladder)trans-106.6102.2173.7-173.6178.2-10.600108.3D1035 P1065 K1066D1035-Q1055 HydrophobicContact CB-CG 4.15Å; D1035-Q1055 PolarHBondContact OD2-NE2 2.79Å; Q1055-P1065 CarbonylContact O-C 3.52Å; Q1055-P1065 VanDerWaalsContact O-CA 3.25Å; Q1055-P1065 WeakPolarHBondContact O-CA 3.23Å; Q1055-K1066 HydrophobicContact CB-CB 4.32Å; Q1055-K1066 PolarHBondContact N-O 2.86Å; Q1055-K1066 PolarHBondContact O-N 3.38Å
1056P79.3Confident75.5Confident1 Ų131.7 Ų31.71%0.00616%0.164CC..PPolyproline II helixtrans-61.8147.8175.1-19.634.3000111.3Y940 L952 D1036 I1038 V1054 S1058Y940-P1056 HydrophobicContact CE1-CB 3.83Å; Y940-P1056 HydrophobicContact CE1-CG 4.07Å; Y940-P1056 HydrophobicContact CE2-CB 4.49Å; Y940-P1056 HydrophobicContact CE2-CG 4.05Å; L952-P1056 HydrophobicContact CD2-CB 4.12Å; L952-P1056 HydrophobicContact CD2-CG 4.15Å; D1036-P1056 HydrophobicContact CB-CG 4.44Å; D1036-P1056 WeakPolarHBondContact O-CD 3.39Å; I1038-P1056 HydrophobicContact CD1-CG 3.91Å; I1038-P1056 HydrophobicContact CG1-CG 4.41Å; V1054-P1056 WeakPolarHBondContact O-CD 3.26Å; P1056-S1058 PolarHBondContact O-N 3.45Å
1057S66.8Low75.5Confident21 Ų2131.9 Ų31.915%0.14716%0.164CC..PPolyproline II helixtrans-65.7123.2177.658.70000111.4E1063S1057-E1063 WeakPolarHBondContact CB-O 3.23Å
1058S60.9Low75.4Confident9 Ų934 Ų346%0.06318%0.179CC..PPolyproline II helixtrans-101.5166171.2760000112D1035 P1056 N1060 N1061D1035-S1058 WeakPolarHBondContact OD1-CB 3.39Å; D1035-S1058 PolarHBondContact OD1-OG 2.75Å; P1056-S1058 PolarHBondContact O-N 3.45Å; S1058-N1060 PolarHBondContact O-N 2.86Å; S1058-N1061 PolarHBondContact O-N 2.89Å
1059G52.1Low75.3Confident27 Ų2735.5 Ų35.528%0.27819%0.187SC..THydrogen-bonded Turntrans-40.4-36.4-17800000117.2S678 N680S678-G1059 PolarHBondContact OG-O 2.81Å; N680-G1059 WeakPolarHBondContact OD1-CA 3.01Å; N680-G1059 PolarHBondContact OD1-O 2.85Å
1060N49.1Very low75Confident99 Ų9937.2 Ų37.253%0.52920%0.196SC..THydrogen-bonded Turntrans-109.5-11.9-165.8-68.9-14.8000113.6S1058S1058-N1060 PolarHBondContact O-N 2.86Å
1061N49.5Very low74.7Confident73 Ų7341.2 Ų41.239%0.3922%0.215SC..  trans-102.8122.6-177.1-82.2-22.1000111.5D1035 S1058 E1063D1035-N1061 PolarHBondContact OD2-ND2 2.8Å; S1058-N1061 PolarHBondContact O-N 2.89Å; N1061-E1063 PolarHBondContact O-N 2.84Å
1062T51.2Low74.3Confident46 Ų4645 Ų4528%0.28223%0.229SC..  trans-71.420.9-17040.90000115.9W633 F634 L635W633-T1062 HydrophobicContact CD2-CG2 4.39Å; W633-T1062 HydrophobicContact CG-CG2 3.99Å; F634-T1062 VanDerWaalsContact O-CB 3.31Å; F634-T1062 WeakPolarHBondContact O-CB 3.31Å; F634-T1062 WeakPolarHBondContact O-CG2 3.14Å; L635-T1062 WeakPolarHBondContact CD1-O 3.24Å
1063E55.9Low74Confident100 Ų10045.8 Ų45.847%0.46723%0.233SC..SBendtrans-129.8145.7-168.6-63.9-170.2-12600113.3S1057 N1061 K1066S1057-E1063 WeakPolarHBondContact CB-O 3.23Å; N1061-E1063 PolarHBondContact O-N 2.84Å; E1063-K1066 WeakPolarHBondContact OE1-CE 3.44Å; E1063-K1066 IonicContact OE1-NZ 3.03Å; E1063-K1066 PolarHBondContact OE1-NZ 2.99Å; E1063-K1066 WeakPolarHBondContact OE2-CE 3.39Å; E1063-K1066 IonicContact OE2-NZ 2.93Å; E1063-K1066 PolarHBondContact OE2-NZ 3.18Å
1064Y67.2Low73.5Confident79 Ų7947.3 Ų47.331%0.3124%0.241SC..SBendtrans-49.9156.5164-82.2-88.7000110.5L635 C638 K669 L681 K1066L635-Y1064 HydrophobicContact CD1-CD2 3.94Å; L635-Y1064 HydrophobicContact CD1-CE2 4.23Å; L635-Y1064 HydrophobicContact CD2-CD2 4.08Å; L635-Y1064 HydrophobicContact CD2-CE2 3.76Å; L635-Y1064 HydrophobicContact CG-CE2 4.33Å; C638-Y1064 PolarHBondContact O-OH 2.93Å; K669-Y1064 WeakPolarHBondContact CE-OH 3.32Å; K669-Y1064 PolarHBondContact NZ-OH 2.83Å; K669-Y1064 VanDerWaalsContact NZ-OH 3.13Å; L681-Y1064 HydrophobicContact CD2-CD1 4.45Å; L681-Y1064 HydrophobicContact CD2-CE1 4.27Å; Y1064-K1066 PolarHBondContact O-N 3.45Å; Y1064-K1066 VanDerWaalsContact O-N 3.08Å
1065P77.1Confident72.6Confident10 Ų1047.5 Ų47.57%0.06524%0.242CC..PPolyproline II helixtrans-48.4124.9173.321.5-34.2000110.1L952 L968 Q1055 F1067L952-P1065 HydrophobicContact CD2-CB 3.83Å; L952-P1065 HydrophobicContact CD2-CG 4.41Å; L968-P1065 HydrophobicContact CB-CG 4.21Å; L968-P1065 WeakPolarHBondContact O-CD 3.49Å; Q1055-P1065 CarbonylContact O-C 3.52Å; Q1055-P1065 VanDerWaalsContact O-CA 3.25Å; Q1055-P1065 WeakPolarHBondContact O-CA 3.23Å; P1065-F1067 HydrophobicContact CB-CE2 3.99Å; P1065-F1067 HydrophobicContact CG-CE2 4.03Å; P1065-F1067 VanDerWaalsContact O-CD2 3.27Å; P1065-F1067 WeakPolarHBondContact O-CD2 3.15Å; P1065-F1067 WeakPolarHBondContact O-CE2 3.35Å
1066K81.8Confident71.5Confident84 Ų8447.6 Ų47.637%0.36525%0.246SC..EExtended strand (participates in β ladder)trans-85.5134.8-178.8-64.5-176.9-179.7-168.40108.7V1054 Q1055 E1063 Y1064V1054-K1066 VanDerWaalsContact CA-O 3.31Å; V1054-K1066 WeakPolarHBondContact CA-O 3.31Å; Q1055-K1066 HydrophobicContact CB-CB 4.32Å; Q1055-K1066 PolarHBondContact N-O 2.86Å; Q1055-K1066 PolarHBondContact O-N 3.38Å; E1063-K1066 WeakPolarHBondContact OE1-CE 3.44Å; E1063-K1066 IonicContact OE1-NZ 3.03Å; E1063-K1066 PolarHBondContact OE1-NZ 2.99Å; E1063-K1066 WeakPolarHBondContact OE2-CE 3.39Å; E1063-K1066 IonicContact OE2-NZ 2.93Å; E1063-K1066 PolarHBondContact OE2-NZ 3.18Å; Y1064-K1066 PolarHBondContact O-N 3.45Å; Y1064-K1066 VanDerWaalsContact O-N 3.08Å
1067F87.6Confident70.3Confident19 Ų1953.9 Ų53.98%0.08328%0.278CS..EExtended strand (participates in β ladder)trans-121.6108.5174.1-62.5-105.2000108.2I950 L952 K971 I1052 H1053 V1054 P1065I950-F1067 HydrophobicContact CG2-CE1 4.18Å; L952-F1067 HydrophobicContact CB-CZ 3.89Å; K971-F1067 HydrophobicContact CB-CB 3.47Å; K971-F1067 VanDerWaalsContact CB-CB 3.47Å; K971-F1067 HydrophobicContact CB-CD1 3.72Å; K971-F1067 HydrophobicContact CB-CD2 3.87Å; K971-F1067 HydrophobicContact CB-CE1 4.39Å; K971-F1067 HydrophobicContact CB-CG 3.44Å; K971-F1067 VanDerWaalsContact CB-CG 3.44Å; K971-F1067 HydrophobicContact CD-CB 3.99Å; K971-F1067 HydrophobicContact CG-CB 3.65Å; K971-F1067 HydrophobicContact CG-CG 4.2Å; K971-F1067 PolarHBondContact NZ-O 3.11Å; I1052-F1067 HydrophobicContact CG2-CB 4.48Å; H1053-F1067 WeakPolarHBondContact O-CA 3.34Å; V1054-F1067 HydrophobicContact CB-CD1 4.42Å; V1054-F1067 HydrophobicContact CG1-CD1 4.2Å; V1054-F1067 HydrophobicContact CG1-CE1 3.93Å; V1054-F1067 HydrophobicContact CG1-CZ 4.22Å; V1054-F1067 HydrophobicContact CG2-CD1 3.5Å; V1054-F1067 VanDerWaalsContact CG2-CD1 3.5Å; V1054-F1067 HydrophobicContact CG2-CE1 3.74Å; V1054-F1067 HydrophobicContact CG2-CG 4.36Å; P1065-F1067 HydrophobicContact CB-CE2 3.99Å; P1065-F1067 HydrophobicContact CG-CE2 4.03Å; P1065-F1067 VanDerWaalsContact O-CD2 3.27Å; P1065-F1067 WeakPolarHBondContact O-CD2 3.15Å; P1065-F1067 WeakPolarHBondContact O-CE2 3.35Å
1068S85.8Confident69.2Low48 Ų4858 Ų5834%0.33630%0.298SS..EExtended strand (participates in β ladder)trans-110122.5176.815.80000108.4I1052 H1053 I1070I1052-S1068 CarbonylContact C-O 3.58Å; I1052-S1068 WeakPolarHBondContact CA-O 3.4Å; H1053-S1068 PolarHBondContact N-O 3.35Å; H1053-S1068 PolarHBondContact ND1-OG 3.19Å; H1053-S1068 PolarHBondContact O-N 3.22Å; S1068-I1070 PolarHBondContact O-N 2.84Å
1069E86.5Confident67.8Low70 Ų7063.5 Ų63.533%0.32733%0.334SS..EExtended strand (participates in β ladder)trans-75.2116.6168.4-173.2168.7-166.500107.2R1050 I1052 R1072R1050-E1069 WeakPolarHBondContact CD-OE1 3.38Å; R1050-E1069 WeakPolarHBondContact CG-OE1 3.22Å; R1050-E1069 IonicContact NE-OE1 3.87Å; R1050-E1069 PolarHBondContact NE-OE1 2.83Å; R1050-E1069 VanDerWaalsContact NE-OE1 3.15Å; I1052-E1069 HydrophobicContact CG1-CG 4.47Å; E1069-R1072 VanDerWaalsContact CD-NE 3.26Å; E1069-R1072 WeakPolarHBondContact OE1-CD 3.26Å; E1069-R1072 WeakPolarHBondContact OE1-CG 3.21Å; E1069-R1072 IonicContact OE1-CZ 3.52Å; E1069-R1072 IonicContact OE1-NE 2.67Å; E1069-R1072 PolarHBondContact OE1-NE 2.83Å; E1069-R1072 IonicContact OE1-NH2 3.52Å; E1069-R1072 IonicContact OE2-CZ 3.49Å; E1069-R1072 IonicContact OE2-NE 3.34Å; E1069-R1072 PolarHBondContact OE2-NE 2.85Å; E1069-R1072 IonicContact OE2-NH2 2.78Å; E1069-R1072 PolarHBondContact OE2-NH2 2.94Å
1070I85.1Confident66.8Low36 Ų3667.3 Ų67.319%0.18535%0.352CS..EExtended strand (participates in β ladder)trans-76.3-53.6178.6-56163.8000108.3L1039 L1051 H1053 S1068 D1149 F1152 L1154L1039-I1070 HydrophobicContact CD1-CD1 3.5Å; L1051-I1070 HydrophobicContact CB-CB 4.22Å; L1051-I1070 HydrophobicContact CB-CD1 4.46Å; L1051-I1070 PolarHBondContact O-N 2.86Å; H1053-I1070 HydrophobicContact CB-CD1 3.92Å; H1053-I1070 HydrophobicContact CB-CG1 3.9Å; S1068-I1070 PolarHBondContact O-N 2.84Å; I1070-D1149 HydrophobicContact CG2-CB 3.76Å; I1070-F1152 HydrophobicContact CD1-CD2 3.75Å; I1070-F1152 HydrophobicContact CD1-CE2 4Å; I1070-L1154 HydrophobicContact CD1-CD1 4.19Å; I1070-L1154 HydrophobicContact CG2-CD1 4.41Å
1071E83.4Confident66.1Low84 Ų8470.3 Ų70.339%0.39337%0.368SS..EExtended strand (participates in β ladder)trans-154158-173.1-165.761.1-150.200113.1L1051 L1156L1051-E1071 HydrophobicContact CB-CB 4.47Å; L1051-E1071 HydrophobicContact CD1-CB 4.37Å; L1051-E1071 PolarHBondContact N-O 3.02Å; L1051-E1071 PolarHBondContact O-N 2.82Å; E1071-L1156 HydrophobicContact CB-CD1 3.81Å; E1071-L1156 HydrophobicContact CG-CD1 3.44Å; E1071-L1156 VanDerWaalsContact CG-CD1 3.44Å; E1071-L1156 HydrophobicContact CG-CD2 4.17Å; E1071-L1156 HydrophobicContact CG-CG 4.39Å
1072R84.9Confident65.2Low83 Ų8376.9 Ų76.931%0.31339%0.393SS..EExtended strand (participates in β ladder)trans-119115.1170.2-64.4179.6179.8179.10.7111.4R974 Y1048 R1050 E1069R974-R1072 PolarHBondContact O-NH2 2.9Å; Y1048-R1072 HydrophobicContact CD1-CB 4.16Å; R1050-R1072 HydrophobicContact CG-CG 4.25Å; E1069-R1072 VanDerWaalsContact CD-NE 3.26Å; E1069-R1072 WeakPolarHBondContact OE1-CD 3.26Å; E1069-R1072 WeakPolarHBondContact OE1-CG 3.21Å; E1069-R1072 IonicContact OE1-CZ 3.52Å; E1069-R1072 IonicContact OE1-NE 2.67Å; E1069-R1072 PolarHBondContact OE1-NE 2.83Å; E1069-R1072 IonicContact OE1-NH2 3.52Å; E1069-R1072 IonicContact OE2-CZ 3.49Å; E1069-R1072 IonicContact OE2-NE 3.34Å; E1069-R1072 PolarHBondContact OE2-NE 2.85Å; E1069-R1072 IonicContact OE2-NH2 2.78Å; E1069-R1072 PolarHBondContact OE2-NH2 2.94Å
1073I85.1Confident64.4Low19 Ų1979.7 Ų79.710%0.09741%0.414CS..EExtended strand (participates in β ladder)trans-95.4121.6176.2-57.5169.4000108.9V1049 L1051 F1105 W1117 I1119 L1156V1049-I1073 HydrophobicContact CB-CB 4.3Å; V1049-I1073 PolarHBondContact N-O 3.01Å; V1049-I1073 PolarHBondContact O-N 2.95Å; L1051-I1073 HydrophobicContact CD1-CD1 4.28Å; L1051-I1073 HydrophobicContact CG-CD1 4.48Å; I1073-F1105 HydrophobicContact CD1-CZ 3.96Å; I1073-W1117 HydrophobicContact CG2-CZ2 3.77Å; I1073-I1119 HydrophobicContact CD1-CD1 4.04Å; I1073-L1156 HydrophobicContact CD1-CD2 3.98Å; I1073-L1156 HydrophobicContact CG1-CD2 4.13Å
1074N79.6Confident63.7Low37 Ų3780.6 Ų80.620%0.19842%0.422CS..  trans-95.2116.2171.4-171.7-15.9000110.1Y1048 T1076 I1077Y1048-N1074 HydrophobicContact CD1-CB 4.01Å; Y1048-N1074 HydrophobicContact CE1-CB 3.67Å; N1074-T1076 PolarHBondContact ND2-OG1 2.96Å; N1074-T1076 PolarHBondContact O-N 3.49Å; N1074-T1076 PolarHBondContact OD1-N 2.93Å; N1074-T1076 PolarHBondContact OD1-OG1 2.88Å; N1074-I1077 HydrophobicContact CB-CD1 3.77Å; N1074-I1077 HydrophobicContact CB-CG1 3.93Å
1075P70Confident62.8Low3 Ų385 Ų852%0.01945%0.451CS..THydrogen-bonded Turntrans-66.4-15.41795.9-2.8000114.8G1047 I1107 H1115 W1117G1047-P1075 WeakPolarHBondContact O-CD 3.45Å; G1047-P1075 WeakPolarHBondContact O-CG 3.41Å; P1075-I1107 HydrophobicContact CB-CD1 4.36Å; P1075-I1107 HydrophobicContact CG-CD1 3.94Å; P1075-H1115 WeakPolarHBondContact CB-ND1 3.3Å; P1075-H1115 PolarHBondContact O-CE1 3.06Å; P1075-H1115 VanDerWaalsContact O-CE1 3.29Å; P1075-H1115 PolarHBondContact O-ND1 3.26Å; P1075-W1117 HydrophobicContact CB-CH2 4.06Å; P1075-W1117 HydrophobicContact CB-CZ2 4.06Å; P1075-W1117 HydrophobicContact CG-CH2 4.49Å
1076T62.9Low61.8Low52 Ų5291.3 Ų91.332%0.31948%0.475SS..THydrogen-bonded Turntrans-101.3-5.3-169.1610000115.5N1074 L1078N1074-T1076 PolarHBondContact ND2-OG1 2.96Å; N1074-T1076 PolarHBondContact O-N 3.49Å; N1074-T1076 PolarHBondContact OD1-N 2.93Å; N1074-T1076 PolarHBondContact OD1-OG1 2.88Å; T1076-L1078 PolarHBondContact O-N 3.46Å
1077I54Low61.3Low132 Ų13291.4 Ų91.468%0.67748%0.478SS*.  trans-82.682.9-179.6-54.9174.8000109.6N1074N1074-I1077 HydrophobicContact CB-CD1 3.77Å; N1074-I1077 HydrophobicContact CB-CG1 3.93Å
1078L43.2Very low61.2Low108 Ų10890.5 Ų90.557%0.56548%0.475SS*.  trans-87.5138.1159.5-86.2154.8000109.1T1076 T1080 M1163T1076-L1078 PolarHBondContact O-N 3.46Å; L1078-T1080 PolarHBondContact O-N 3.15Å; L1078-M1163 HydrophobicContact CD1-CE 3.93Å
1079P32.4Very low61.3Low125 Ų12589.5 Ų89.581%0.81247%0.467SS*.SBendtrans-7317.4-177.2-14.128.9000115.7
1080T30.7Very low61.6Low106 Ų10686.3 Ų86.365%0.6545%0.452SS*.SBendtrans-142.9124.3-172.451.80000113.6L1078L1078-T1080 PolarHBondContact O-N 3.15Å
1081N33.5Very low62Low162 Ų16286.1 Ų86.187%0.86645%0.452SS*.  trans86.6105.8168.6-63-17.8000118.7S1083N1081-S1083 PolarHBondContact O-N 2.87Å
1082K32.6Very low62.6Low212 Ų21282.6 Ų82.692%0.92244%0.436SS*.  trans-56.4106.5165.2-66.2171.3174178.40111.2
1083S34.1Very low63Low104 Ų10479.1 Ų79.173%0.72742%0.423SS*.SBendtrans167.4123137.852.10000108.4N1081N1081-S1083 PolarHBondContact O-N 2.87Å
1084D40.1Very low63.4Low119 Ų11981.4 Ų81.464%0.63643%0.432SS*.  trans8576.4174.2-60.7-5.8000117.8Y1086D1084-Y1086 VanDerWaalsContact C-N 3.3Å; D1084-Y1086 HydrophobicContact CB-CD2 3.53Å; D1084-Y1086 HydrophobicContact CB-CE2 3.65Å; D1084-Y1086 HydrophobicContact CB-CG 4.42Å; D1084-Y1086 PolarHBondContact O-N 2.58Å; D1084-Y1086 WeakPolarHBondContact OD2-CE2 3.32Å
1085N48.1Very low63.9Low171 Ų17180.6 Ų80.691%0.91443%0.428SS*.  trans-69.483.1165-86.9-3.8000110.7
1086Y56.3Low64.8Low144 Ų14481.6 Ų81.657%0.56543%0.433SS*.  trans-113110-168.6-111.9-23.4000106.2D1084 R1111D1084-Y1086 VanDerWaalsContact C-N 3.3Å; D1084-Y1086 HydrophobicContact CB-CD2 3.53Å; D1084-Y1086 HydrophobicContact CB-CE2 3.65Å; D1084-Y1086 HydrophobicContact CB-CG 4.42Å; D1084-Y1086 PolarHBondContact O-N 2.58Å; D1084-Y1086 WeakPolarHBondContact OD2-CE2 3.32Å; Y1086-R1111 VanDerWaalsContact O-CZ 3.24Å; Y1086-R1111 PolarHBondContact O-NH1 2.86Å; Y1086-R1111 PolarHBondContact O-NH2 2.94Å; Y1086-R1111 VanDerWaalsContact O-NH2 3.15Å
1087I71.9Confident65.9Low85 Ų8580.9 Ų80.944%0.43643%0.426SS..  trans-78.3134.3-175.6-62.4172.4000110.3D1046 R1111D1046-I1087 VanDerWaalsContact C-CG2 3.46Å; D1046-I1087 WeakPolarHBondContact O-CG2 3.02Å; I1087-R1111 PolarHBondContact O-NH2 2.86Å
1088S84.3Confident67.2Low1 Ų175.6 Ų75.61%0.00740%0.399CS..  trans-108.1136.4175.764.40000111.4G1047 N1109G1047-S1088 WeakPolarHBondContact CA-O 3.34Å; S1088-N1109 PolarHBondContact OG-ND2 3.02Å
1089C89.3Confident68.8Low27 Ų2772.6 Ų72.618%0.18238%0.383CS..  trans-68.7129.9177.4178.70000110.7S1045 L1091 N1109 S1110S1045-C1089 VanDerWaalsContact CA-SG 3.51Å; C1089-L1091 HydrophobicContact CB-CD2 4.37Å; C1089-L1091 PolarHBondContact O-N 3.3Å; C1089-N1109 CarbonylContact O-C 3.54Å; C1089-N1109 WeakPolarHBondContact O-CA 3.42Å; C1089-N1109 WeakPolarHBondContact O-CB 2.99Å; C1089-S1110 PolarHBondContact N-OG 3.4Å; C1089-S1110 VanDerWaalsContact N-OG 3.1Å; C1089-S1110 PolarHBondContact O-N 2.96Å
1090C92.6Very high70.8Confident2 Ų269.4 Ų69.41%0.01436%0.364CS..EExtended strand (participates in β ladder)trans-68.9124.7166.7-56.70000108.6M1020 C1044 G1047M1020-C1090 WeakPolarHBondContact CB-O 3.49Å; M1020-C1090 WeakPolarHBondContact CG-O 3.42Å; C1044-C1090 WeakPolarHBondContact O-CB 3.48Å; C1044-C1090 PolarHBondContact O-N 2.83Å; C1044-C1090 VanDerWaalsContact O-N 3.15Å; G1047-C1090 PolarHBondContact O-SG 3.27Å
1091L93.8Very high73.1Confident33 Ų3368.3 Ų68.317%0.17336%0.36CS..EExtended strand (participates in β ladder)trans-100.7-40.5-176.5-64.1-178.1000112.6M1020 C1089 S1108 A1179 F1180 N1181M1020-L1091 HydrophobicContact CE-CD2 4.31Å; C1089-L1091 HydrophobicContact CB-CD2 4.37Å; C1089-L1091 PolarHBondContact O-N 3.3Å; L1091-S1108 PolarHBondContact N-O 3.05Å; L1091-A1179 HydrophobicContact CD1-CB 3.8Å; L1091-F1180 WeakPolarHBondContact CD1-O 3.36Å; L1091-N1181 WeakPolarHBondContact CD1-OD1 3.48Å
1092D94.8Very high75.5Confident10 Ų1061.3 Ų61.35%0.05332%0.322CS..EExtended strand (participates in β ladder)trans-146.4159.6175.9-15812.6000111.5I1107 S1108 N1181 C1182 I1183 K1246D1092-I1107 VanDerWaalsContact O-CA 3.29Å; D1092-I1107 WeakPolarHBondContact O-CA 3.23Å; D1092-S1108 PolarHBondContact N-OG 3.15Å; D1092-S1108 PolarHBondContact O-N 2.97Å; D1092-N1181 WeakPolarHBondContact CB-O 3.31Å; D1092-C1182 VanDerWaalsContact OD2-CA 3.27Å; D1092-C1182 WeakPolarHBondContact OD2-CA 3.33Å; D1092-I1183 HydrophobicContact CB-CG2 3.87Å; D1092-I1183 PolarHBondContact OD2-N 2.8Å; D1092-K1246 IonicContact OD1-NZ 3.6Å; D1092-K1246 PolarHBondContact OD1-NZ 2.77Å; D1092-K1246 IonicContact OD2-NZ 3.86Å; D1092-K1246 PolarHBondContact OD2-NZ 3.21Å
1093L94.2Very high78.1Confident9 Ų951.3 Ų51.35%0.04728%0.278CS..EExtended strand (participates in β ladder)trans-142.8138.1-176.1-175.2148000110A1021 D1023 I1041 V1049 F1105 A1106 I1107A1021-L1093 HydrophobicContact CB-CB 3.71Å; A1021-L1093 VanDerWaalsContact CB-N 3.34Å; D1023-L1093 HydrophobicContact CB-CD2 3.61Å; I1041-L1093 HydrophobicContact CB-CD1 4.41Å; I1041-L1093 HydrophobicContact CB-CD2 4.27Å; I1041-L1093 HydrophobicContact CG2-CD1 3.55Å; I1041-L1093 HydrophobicContact CG2-CD2 4.09Å; I1041-L1093 HydrophobicContact CG2-CG 4.45Å; V1049-L1093 HydrophobicContact CG1-CD1 4.11Å; L1093-F1105 HydrophobicContact CD1-CD2 4.5Å; L1093-A1106 WeakPolarHBondContact CA-O 3.29Å; L1093-I1107 HydrophobicContact CB-CG2 4.16Å; L1093-I1107 HydrophobicContact CD1-CG2 3.63Å; L1093-I1107 HydrophobicContact CG-CG2 3.87Å
1094K93.6Very high80.8Confident67 Ų6746.4 Ų46.429%0.29124%0.244SC..EExtended strand (participates in β ladder)trans-138.3127177.3-174.261.8179.4170.80112.3L1096 F1105 A1106 I1183K1094-L1096 PolarHBondContact O-N 3.24Å; K1094-F1105 CarbonylContact O-C 3.57Å; K1094-F1105 VanDerWaalsContact O-CA 3.24Å; K1094-F1105 WeakPolarHBondContact O-CA 3.17Å; K1094-F1105 WeakPolarHBondContact O-CB 3.37Å; K1094-A1106 PolarHBondContact N-O 3.49Å; K1094-A1106 PolarHBondContact O-N 2.86Å; K1094-I1183 HydrophobicContact CB-CD1 4.44Å; K1094-I1183 HydrophobicContact CB-CG2 3.91Å
1095L90.7Very high83.3Confident21 Ų2140.7 Ų40.711%0.1121%0.214CC..EExtended strand (participates in β ladder)trans-67.2123.2162.7-171.373.7000109.4D1023 V1025 I1041 I1098 I1103 S1104 F1105D1023-L1095 HydrophobicContact CB-CB 4.39Å; D1023-L1095 WeakPolarHBondContact OD2-CB 2.92Å; D1023-L1095 PolarHBondContact OD2-N 3.31Å; V1025-L1095 HydrophobicContact CG2-CD2 4.06Å; I1041-L1095 HydrophobicContact CD1-CD1 4.28Å; L1095-I1098 HydrophobicContact CD2-CB 4.3Å; L1095-I1098 HydrophobicContact CD2-CG2 4.26Å; L1095-I1103 HydrophobicContact CD1-CD1 3.89Å; L1095-I1103 HydrophobicContact CD1-CG1 3.6Å; L1095-S1104 WeakPolarHBondContact CD1-O 3.41Å; L1095-F1105 HydrophobicContact CD1-CB 4.49Å
1096L88.9Confident85.4Confident24 Ų2432.6 Ų32.613%0.12617%0.17CC..EExtended strand (participates in β ladder)trans-90.4-51.8-177.5-58.1177.1000110.9K1094 S1104 A1106 W1162 I1202 V1216 L1218K1094-L1096 PolarHBondContact O-N 3.24Å; L1096-S1104 PolarHBondContact N-O 2.97Å; L1096-A1106 HydrophobicContact CD1-CB 4.05Å; L1096-A1106 HydrophobicContact CD2-CB 4.37Å; L1096-A1106 HydrophobicContact CG-CB 4.38Å; L1096-W1162 HydrophobicContact CD1-CZ2 4.17Å; L1096-I1202 HydrophobicContact CD1-CD1 3.9Å; L1096-I1202 HydrophobicContact CD2-CD1 3.66Å; L1096-I1202 HydrophobicContact CD2-CG1 3.81Å; L1096-I1202 HydrophobicContact CG-CD1 4.43Å; L1096-V1216 HydrophobicContact CD1-CG2 4.38Å; L1096-L1218 HydrophobicContact CB-CD2 3.91Å
1097Q85.5Confident87.2Confident36 Ų3625.8 Ų25.817%0.16814%0.144CC..EExtended strand (participates in β ladder)trans-153.1146.3177.6-176.4176.221.500110.3S1104 E1189 L1218Q1097-S1104 WeakPolarHBondContact CA-OG 3.2Å; Q1097-S1104 WeakPolarHBondContact CB-OG 3.49Å; Q1097-S1104 PolarHBondContact N-O 2.77Å; Q1097-S1104 PolarHBondContact N-OG 3.18Å; Q1097-S1104 PolarHBondContact O-N 3.3Å; Q1097-S1104 PolarHBondContact O-OG 2.81Å; Q1097-E1189 PolarHBondContact NE2-OE1 3.48Å; Q1097-L1218 HydrophobicContact CB-CD2 3.8Å
1098I81Confident88.3Confident21 Ų2121.7 Ų21.711%0.10812%0.123CC..EExtended strand (participates in β ladder)trans-134.9131.7171.9-170.5168.7000109.3Y923 L925 V1025 L1095 I1103 W1121Y923-I1098 HydrophobicContact CD1-CG2 3.71Å; Y923-I1098 HydrophobicContact CE1-CG2 3.33Å; L925-I1098 HydrophobicContact CD1-CD1 4.37Å; L925-I1098 HydrophobicContact CD1-CG1 4.26Å; V1025-I1098 HydrophobicContact CB-CD1 4.06Å; V1025-I1098 HydrophobicContact CG1-CD1 3.48Å; V1025-I1098 VanDerWaalsContact CG1-CD1 3.48Å; V1025-I1098 HydrophobicContact CG2-CD1 3.51Å; L1095-I1098 HydrophobicContact CD2-CB 4.3Å; L1095-I1098 HydrophobicContact CD2-CG2 4.26Å; I1098-I1103 HydrophobicContact CD1-CD1 4.27Å; I1098-I1103 HydrophobicContact CD1-CG1 4.45Å; I1098-I1103 HydrophobicContact CG1-CG1 4.44Å; I1098-W1121 HydrophobicContact CD1-CH2 3.13Å; I1098-W1121 HydrophobicContact CD1-CZ2 3.08Å; I1098-W1121 HydrophobicContact CD1-CZ3 4.2Å; I1098-W1121 HydrophobicContact CG1-CH2 3.85Å; I1098-W1121 HydrophobicContact CG1-CZ2 3.23Å
1099N77.5Confident88.6Confident45 Ų4521.7 Ų21.724%0.24112%0.122CC..  trans-137.7-171.8172.466.633.7000109.7C1101 Q1102 W1121N1099-C1101 PolarHBondContact O-N 2.79Å; N1099-C1101 PolarHBondContact OD1-N 3.42Å; N1099-Q1102 VanDerWaalsContact CG-CG 3.49Å; N1099-Q1102 PolarHBondContact N-O 3.35Å; N1099-Q1102 WeakPolarHBondContact ND2-CG 3.07Å; N1099-Q1102 PolarHBondContact ND2-NE2 2.88Å; N1099-Q1102 WeakPolarHBondContact OD1-CG 3.4Å; N1099-Q1102 PolarHBondContact OD1-N 2.97Å; N1099-Q1102 PolarHBondContact OD1-O 3.3Å; N1099-W1121 PolarHBondContact O-NE1 2.83Å
1100S72.9Confident88.7Confident59 Ų5922.5 Ų22.541%0.41313%0.128SC..SBendtrans-63.8-17.9-179.953.40000115.2H927H927-S1100 VanDerWaalsContact CE1-CA 3.5Å; H927-S1100 WeakPolarHBondContact CE1-CA 3.47Å; H927-S1100 WeakPolarHBondContact CE1-CB 3.18Å
1101C78.8Confident88.3Confident82 Ų8225 Ų2555%0.55414%0.138SC*.SBendtrans-125.9-17.6-166.4-56.40000113.9N1099 P1120 W1121N1099-C1101 PolarHBondContact O-N 2.79Å; N1099-C1101 PolarHBondContact OD1-N 3.42Å; C1101-P1120 WeakPolarHBondContact O-CA 3.19Å; C1101-W1121 CarbonylContact C-O 3.5Å; C1101-W1121 VanDerWaalsContact CA-O 3.25Å; C1101-W1121 WeakPolarHBondContact CA-O 3.46Å; C1101-W1121 PolarHBondContact O-N 2.76Å; C1101-W1121 VanDerWaalsContact O-O 3.06Å
1102Q84.2Confident87.9Confident15 Ų1523.5 Ų23.57%0.0713%0.13CC..EExtended strand (participates in β ladder)trans-147.6148.6179.654.8173.428.900112N1099 I1118 I1119 W1121 L1218 N1219N1099-Q1102 VanDerWaalsContact CG-CG 3.49Å; N1099-Q1102 PolarHBondContact N-O 3.35Å; N1099-Q1102 WeakPolarHBondContact ND2-CG 3.07Å; N1099-Q1102 PolarHBondContact ND2-NE2 2.88Å; N1099-Q1102 WeakPolarHBondContact OD1-CG 3.4Å; N1099-Q1102 PolarHBondContact OD1-N 2.97Å; N1099-Q1102 PolarHBondContact OD1-O 3.3Å; Q1102-I1118 HydrophobicContact CB-CG2 4.41Å; Q1102-I1119 CarbonylContact C-O 3.45Å; Q1102-I1119 VanDerWaalsContact CA-O 3.31Å; Q1102-I1119 WeakPolarHBondContact CA-O 3.15Å; Q1102-W1121 VanDerWaalsContact C-CD1 3.47Å; Q1102-W1121 VanDerWaalsContact N-CD1 3.3Å; Q1102-W1121 PolarHBondContact O-NE1 2.88Å; Q1102-L1218 PolarHBondContact NE2-O 2.87Å; Q1102-N1219 PolarHBondContact OE1-OD1 2.93Å
1103I87.8Confident87.6Confident2 Ų224.8 Ų24.81%0.0114%0.136CC..EExtended strand (participates in β ladder)trans-118.3132.8167.7-170.6169.8000108.8V1025 L1039 I1041 L1095 I1098 I1119 W1121 L1154V1025-I1103 HydrophobicContact CG2-CD1 4.45Å; L1039-I1103 HydrophobicContact CD2-CD1 3.88Å; I1041-I1103 HydrophobicContact CD1-CD1 3.81Å; L1095-I1103 HydrophobicContact CD1-CD1 3.89Å; L1095-I1103 HydrophobicContact CD1-CG1 3.6Å; I1098-I1103 HydrophobicContact CD1-CD1 4.27Å; I1098-I1103 HydrophobicContact CD1-CG1 4.45Å; I1098-I1103 HydrophobicContact CG1-CG1 4.44Å; I1103-I1119 HydrophobicContact CG2-CB 3.82Å; I1103-I1119 PolarHBondContact N-O 3.25Å; I1103-I1119 PolarHBondContact O-N 3.12Å; I1103-W1121 HydrophobicContact CB-CD2 3.83Å; I1103-W1121 HydrophobicContact CB-CE3 4.03Å; I1103-W1121 HydrophobicContact CB-CG 4.25Å; I1103-W1121 HydrophobicContact CD1-CE3 4.04Å; I1103-W1121 HydrophobicContact CD1-CH2 4.23Å; I1103-W1121 HydrophobicContact CD1-CZ3 3.81Å; I1103-W1121 HydrophobicContact CG2-CB 4.45Å; I1103-W1121 HydrophobicContact CG2-CD2 4.02Å; I1103-W1121 HydrophobicContact CG2-CE3 4.04Å; I1103-W1121 HydrophobicContact CG2-CG 4.19Å; I1103-L1154 HydrophobicContact CG2-CD2 4.05Å
1104S89.6Confident87.4Confident1 Ų124.3 Ų24.31%0.00713%0.133CC..EExtended strand (participates in β ladder)trans-129.6134.1179.662.20000111.2L1095 L1096 Q1097 W1117L1095-S1104 WeakPolarHBondContact CD1-O 3.41Å; L1096-S1104 PolarHBondContact N-O 2.97Å; Q1097-S1104 WeakPolarHBondContact CA-OG 3.2Å; Q1097-S1104 WeakPolarHBondContact CB-OG 3.49Å; Q1097-S1104 PolarHBondContact N-O 2.77Å; Q1097-S1104 PolarHBondContact N-OG 3.18Å; Q1097-S1104 PolarHBondContact O-N 3.3Å; Q1097-S1104 PolarHBondContact O-OG 2.81Å; S1104-W1117 WeakPolarHBondContact CA-O 3.16Å
1105F92.5Very high87.3Confident0 Ų021.2 Ų21.20%012%0.12CC..EExtended strand (participates in β ladder)trans-148.9160.3-17964-89.5000110.8I1041 V1049 I1073 L1093 K1094 L1095 G1116 W1117 I1119I1041-F1105 HydrophobicContact CD1-CB 4.48Å; I1041-F1105 HydrophobicContact CD1-CD1 3.93Å; I1041-F1105 HydrophobicContact CD1-CE1 4.43Å; I1041-F1105 HydrophobicContact CD1-CG 4.25Å; I1041-F1105 HydrophobicContact CG2-CD2 4.25Å; I1041-F1105 HydrophobicContact CG2-CE2 4.25Å; I1041-F1105 HydrophobicContact CG2-CG 4.45Å; I1041-F1105 HydrophobicContact CG2-CZ 4.43Å; V1049-F1105 HydrophobicContact CG1-CE2 3.92Å; V1049-F1105 HydrophobicContact CG1-CZ 4.31Å; I1073-F1105 HydrophobicContact CD1-CZ 3.96Å; L1093-F1105 HydrophobicContact CD1-CD2 4.5Å; K1094-F1105 CarbonylContact O-C 3.57Å; K1094-F1105 VanDerWaalsContact O-CA 3.24Å; K1094-F1105 WeakPolarHBondContact O-CA 3.17Å; K1094-F1105 WeakPolarHBondContact O-CB 3.37Å; L1095-F1105 HydrophobicContact CD1-CB 4.49Å; F1105-G1116 CarbonylContact O-C 3.55Å; F1105-G1116 VanDerWaalsContact O-CA 3.27Å; F1105-G1116 WeakPolarHBondContact O-CA 3.43Å; F1105-W1117 AromaticContact CD2-CE3 3.78Å; F1105-W1117 HydrophobicContact CD2-CE3 3.78Å; F1105-W1117 HydrophobicContact CD2-CZ3 4.33Å; F1105-W1117 HydrophobicContact CE1-CB 4Å; F1105-W1117 HydrophobicContact CE2-CB 4.28Å; F1105-W1117 AromaticContact CE2-CD2 3.86Å; F1105-W1117 HydrophobicContact CE2-CD2 3.86Å; F1105-W1117 AromaticContact CE2-CE3 3.22Å; F1105-W1117 HydrophobicContact CE2-CE3 3.22Å; F1105-W1117 HydrophobicContact CE2-CG 4.32Å; F1105-W1117 AromaticContact CE2-CZ3 3.81Å; F1105-W1117 HydrophobicContact CE2-CZ3 3.81Å; F1105-W1117 HydrophobicContact CZ-CB 3.84Å; F1105-W1117 HydrophobicContact CZ-CD2 4.03Å; F1105-W1117 AromaticContact CZ-CE3 3.87Å; F1105-W1117 HydrophobicContact CZ-CE3 3.87Å; F1105-W1117 HydrophobicContact CZ-CG 4.05Å; F1105-W1117 PolarHBondContact N-O 2.96Å; F1105-W1117 PolarHBondContact O-N 2.78Å; F1105-I1119 HydrophobicContact CE1-CD1 3.63Å; F1105-I1119 HydrophobicContact CE1-CG1 4.29Å; F1105-I1119 HydrophobicContact CZ-CD1 4.12Å
1106A93.3Very high87.4Confident0 Ų020.2 Ų20.20%011%0.114CC..EExtended strand (participates in β ladder)trans-135.2154.217500000111.9L1093 K1094 L1096 L1114 H1115 W1162 I1183 I1202L1093-A1106 WeakPolarHBondContact CA-O 3.29Å; K1094-A1106 PolarHBondContact N-O 3.49Å; K1094-A1106 PolarHBondContact O-N 2.86Å; L1096-A1106 HydrophobicContact CD1-CB 4.05Å; L1096-A1106 HydrophobicContact CD2-CB 4.37Å; L1096-A1106 HydrophobicContact CG-CB 4.38Å; A1106-L1114 HydrophobicContact CB-CD1 4.46Å; A1106-H1115 CarbonylContact C-O 3.59Å; A1106-H1115 WeakPolarHBondContact CA-O 3.12Å; A1106-H1115 WeakPolarHBondContact CB-O 3.35Å; A1106-W1162 HydrophobicContact CB-CH2 3.89Å; A1106-W1162 HydrophobicContact CB-CZ2 4.19Å; A1106-I1183 HydrophobicContact CB-CD1 3.57Å; A1106-I1202 HydrophobicContact CB-CD1 3.93Å
1107I94.6Very high87.4Confident1 Ų119.6 Ų19.61%0.00511%0.111CC..EExtended strand (participates in β ladder)trans-126.3150.6176.272.5176000110.9V1049 P1075 D1092 L1093 L1114 H1115 W1117V1049-I1107 HydrophobicContact CG2-CD1 3.78Å; V1049-I1107 HydrophobicContact CG2-CG2 3.78Å; P1075-I1107 HydrophobicContact CB-CD1 4.36Å; P1075-I1107 HydrophobicContact CG-CD1 3.94Å; D1092-I1107 VanDerWaalsContact O-CA 3.29Å; D1092-I1107 WeakPolarHBondContact O-CA 3.23Å; L1093-I1107 HydrophobicContact CB-CG2 4.16Å; L1093-I1107 HydrophobicContact CD1-CG2 3.63Å; L1093-I1107 HydrophobicContact CG-CG2 3.87Å; I1107-L1114 WeakPolarHBondContact O-CA 3.46Å; I1107-L1114 WeakPolarHBondContact O-CD1 3.45Å; I1107-H1115 HydrophobicContact CD1-CB 4.39Å; I1107-H1115 HydrophobicContact CG1-CB 3.94Å; I1107-H1115 PolarHBondContact N-O 3.23Å; I1107-H1115 PolarHBondContact O-N 3.02Å; I1107-W1117 HydrophobicContact CB-CZ3 4.39Å; I1107-W1117 HydrophobicContact CD1-CH2 3.58Å; I1107-W1117 HydrophobicContact CD1-CZ3 3.9Å; I1107-W1117 HydrophobicContact CG1-CH2 3.87Å; I1107-W1117 HydrophobicContact CG1-CZ3 3.74Å; I1107-W1117 HydrophobicContact CG2-CZ3 4.02Å
1108S93.8Very high87.5Confident0 Ų018.2 Ų18.20%010%0.104CC..EExtended strand (participates in β ladder)trans-109.2151.5165.769.50000110.5L1091 D1092 F1180L1091-S1108 PolarHBondContact N-O 3.05Å; D1092-S1108 PolarHBondContact N-OG 3.15Å; D1092-S1108 PolarHBondContact O-N 2.97Å; S1108-F1180 WeakPolarHBondContact CB-O 3.42Å; S1108-F1180 PolarHBondContact OG-O 2.77Å
1109N92Very high87.8Confident0 Ų017.3 Ų17.30%010%0.099CC..EExtended strand (participates in β ladder)trans-130.5172.1-177.476.17.4000114.3S1088 C1089 R1111 G1112 E1113 F1180S1088-N1109 PolarHBondContact OG-ND2 3.02Å; C1089-N1109 CarbonylContact O-C 3.54Å; C1089-N1109 WeakPolarHBondContact O-CA 3.42Å; C1089-N1109 WeakPolarHBondContact O-CB 2.99Å; N1109-R1111 PolarHBondContact O-N 3.04Å; N1109-R1111 WeakPolarHBondContact OD1-CA 3.35Å; N1109-R1111 PolarHBondContact OD1-N 2.68Å; N1109-G1112 PolarHBondContact O-N 3.19Å; N1109-G1112 PolarHBondContact OD1-N 3.09Å; N1109-G1112 VanDerWaalsContact OD1-N 3.08Å; N1109-E1113 PolarHBondContact N-O 2.87Å; N1109-E1113 PolarHBondContact ND2-OE2 2.96Å; N1109-E1113 PolarHBondContact OD1-N 3.29Å; N1109-E1113 PolarHBondContact OD1-O 3.14Å; N1109-F1180 PolarHBondContact O-N 2.87Å
1110S89.8Confident88.1Confident44 Ų4417 Ų1731%0.30810%0.1SC..THydrogen-bonded Turntrans-70.16.4177.867.80000115C1089C1089-S1110 PolarHBondContact N-OG 3.4Å; C1089-S1110 VanDerWaalsContact N-OG 3.1Å; C1089-S1110 PolarHBondContact O-N 2.96Å
1111R85.9Confident88.6Confident55 Ų5514.5 Ų14.521%0.2088%0.082CC..THydrogen-bonded Turntrans-116.11.8176.7-72-165.1173.9145.918.3114Y1086 I1087 N1109 E1113 L1178Y1086-R1111 VanDerWaalsContact O-CZ 3.24Å; Y1086-R1111 PolarHBondContact O-NH1 2.86Å; Y1086-R1111 PolarHBondContact O-NH2 2.94Å; Y1086-R1111 VanDerWaalsContact O-NH2 3.15Å; I1087-R1111 PolarHBondContact O-NH2 2.86Å; N1109-R1111 PolarHBondContact O-N 3.04Å; N1109-R1111 WeakPolarHBondContact OD1-CA 3.35Å; N1109-R1111 PolarHBondContact OD1-N 2.68Å; R1111-E1113 VanDerWaalsContact C-N 3.29Å; R1111-E1113 HydrophobicContact CB-CG 4.01Å; R1111-L1178 CarbonylContact C-O 3.38Å; R1111-L1178 WeakPolarHBondContact CA-O 3.32Å
1112G85.5Confident88.2Confident1 Ų114.2 Ų14.21%0.018%0.08CC..SBendtrans73.831.6178.500000110.9N1109 L1178 F1180N1109-G1112 PolarHBondContact O-N 3.19Å; N1109-G1112 PolarHBondContact OD1-N 3.09Å; N1109-G1112 VanDerWaalsContact OD1-N 3.08Å; G1112-L1178 WeakPolarHBondContact CA-O 3.4Å; G1112-L1178 PolarHBondContact N-O 2.79Å; G1112-F1180 VanDerWaalsContact CA-CD2 3.48Å; G1112-F1180 WeakPolarHBondContact O-CD2 3.36Å; G1112-F1180 WeakPolarHBondContact O-CE2 3.49Å
1113E87.7Confident87.3Confident37 Ų3714.4 Ų14.417%0.1738%0.083CC..EExtended strand (participates in β ladder)trans-107.9137.4173.4-47.8169.2145.900107.8N1109 R1111 H1115 N1165N1109-E1113 PolarHBondContact N-O 2.87Å; N1109-E1113 PolarHBondContact ND2-OE2 2.96Å; N1109-E1113 PolarHBondContact OD1-N 3.29Å; N1109-E1113 PolarHBondContact OD1-O 3.14Å; R1111-E1113 VanDerWaalsContact C-N 3.29Å; R1111-E1113 HydrophobicContact CB-CG 4.01Å; E1113-H1115 WeakPolarHBondContact CB-NE2 3.46Å; E1113-H1115 IonicContact OE2-NE2 2.94Å; E1113-N1165 WeakPolarHBondContact CG-OD1 3.37Å
1114L90.8Very high85.9Confident0 Ų017.1 Ų17.10%010%0.099CC..EExtended strand (participates in β ladder)trans-110.3118.5174.6177.576.5000107.7A1106 I1107 W1162 M1163 L1164 I1183 I1202 V1204 W1233A1106-L1114 HydrophobicContact CB-CD1 4.46Å; I1107-L1114 WeakPolarHBondContact O-CA 3.46Å; I1107-L1114 WeakPolarHBondContact O-CD1 3.45Å; L1114-W1162 HydrophobicContact CD2-CH2 4.1Å; L1114-W1162 HydrophobicContact CD2-CZ3 3.84Å; L1114-W1162 HydrophobicContact CG-CH2 4.2Å; L1114-W1162 HydrophobicContact CG-CZ3 3.86Å; L1114-M1163 CarbonylContact O-C 3.54Å; L1114-M1163 WeakPolarHBondContact O-CA 3.5Å; L1114-L1164 HydrophobicContact CB-CB 4.02Å; L1114-L1164 HydrophobicContact CD2-CB 4.34Å; L1114-L1164 HydrophobicContact CD2-CD1 3.92Å; L1114-L1164 PolarHBondContact N-O 2.84Å; L1114-L1164 PolarHBondContact O-N 3.35Å; L1114-I1183 HydrophobicContact CD1-CD1 3.4Å; L1114-I1183 HydrophobicContact CD1-CG1 4.16Å; L1114-I1202 HydrophobicContact CD1-CG2 4.43Å; L1114-I1202 HydrophobicContact CD2-CD1 4.44Å; L1114-I1202 HydrophobicContact CD2-CG2 4.09Å; L1114-V1204 HydrophobicContact CD1-CG2 4.04Å; L1114-V1204 HydrophobicContact CD2-CG2 4.13Å; L1114-W1233 HydrophobicContact CD2-CH2 4.39Å
1115H91.4Very high83.9Confident1 Ų127.8 Ų27.81%0.00514%0.139CC..EExtended strand (participates in β ladder)trans-113.1141178.4-60.9-122.3000109.2P1075 A1106 I1107 E1113 W1117 H1161 W1162 M1163P1075-H1115 WeakPolarHBondContact CB-ND1 3.3Å; P1075-H1115 PolarHBondContact O-CE1 3.06Å; P1075-H1115 VanDerWaalsContact O-CE1 3.29Å; P1075-H1115 PolarHBondContact O-ND1 3.26Å; A1106-H1115 CarbonylContact C-O 3.59Å; A1106-H1115 WeakPolarHBondContact CA-O 3.12Å; A1106-H1115 WeakPolarHBondContact CB-O 3.35Å; I1107-H1115 HydrophobicContact CD1-CB 4.39Å; I1107-H1115 HydrophobicContact CG1-CB 3.94Å; I1107-H1115 PolarHBondContact N-O 3.23Å; I1107-H1115 PolarHBondContact O-N 3.02Å; E1113-H1115 WeakPolarHBondContact CB-NE2 3.46Å; E1113-H1115 IonicContact OE2-NE2 2.94Å; H1115-W1117 HydrophobicContact CB-CH2 3.42Å; H1115-W1117 VanDerWaalsContact CB-CH2 3.42Å; H1115-W1117 HydrophobicContact CB-CZ2 4.07Å; H1115-W1117 HydrophobicContact CB-CZ3 3.75Å; H1115-H1161 AromaticContact CG-NE2 3.82Å; H1115-H1161 AromaticContact ND1-CE1 3.72Å; H1115-H1161 AromaticContact ND1-NE2 3.21Å; H1115-H1161 PolarHBondContact ND1-NE2 3.4Å; H1115-W1162 WeakPolarHBondContact CA-O 2.96Å; H1115-M1163 VanDerWaalsContact CE1-CE 3.44Å; H1115-M1163 WeakPolarHBondContact CE1-CE 3.37Å
1116G91Very high81.4Confident0 Ų030 Ų300%016%0.162CC..EExtended strand (participates in β ladder)trans-139.9153.1172.300000113.4F1105 H1161 W1162F1105-G1116 CarbonylContact O-C 3.55Å; F1105-G1116 VanDerWaalsContact O-CA 3.27Å; F1105-G1116 WeakPolarHBondContact O-CA 3.43Å; G1116-H1161 WeakPolarHBondContact O-CA 3.49Å; G1116-H1161 PolarHBondContact O-CD2 2.87Å; G1116-W1162 VanDerWaalsContact CA-CE2 3.49Å; G1116-W1162 PolarHBondContact N-O 3.18Å; G1116-W1162 PolarHBondContact O-N 2.9Å
1117W90.2Very high78.6Confident12 Ų1236.4 Ų36.45%0.04521%0.207CC..EExtended strand (participates in β ladder)trans-127.2141.2-177-64.7-95.3000110.4V1049 I1073 P1075 S1104 F1105 I1107 H1115 I1119 Y1160 H1161V1049-W1117 HydrophobicContact CG2-CH2 4.32Å; V1049-W1117 HydrophobicContact CG2-CZ3 4.43Å; I1073-W1117 HydrophobicContact CG2-CZ2 3.77Å; P1075-W1117 HydrophobicContact CB-CH2 4.06Å; P1075-W1117 HydrophobicContact CB-CZ2 4.06Å; P1075-W1117 HydrophobicContact CG-CH2 4.49Å; S1104-W1117 WeakPolarHBondContact CA-O 3.16Å; F1105-W1117 AromaticContact CD2-CE3 3.78Å; F1105-W1117 HydrophobicContact CD2-CE3 3.78Å; F1105-W1117 HydrophobicContact CD2-CZ3 4.33Å; F1105-W1117 HydrophobicContact CE1-CB 4Å; F1105-W1117 HydrophobicContact CE2-CB 4.28Å; F1105-W1117 AromaticContact CE2-CD2 3.86Å; F1105-W1117 HydrophobicContact CE2-CD2 3.86Å; F1105-W1117 AromaticContact CE2-CE3 3.22Å; F1105-W1117 HydrophobicContact CE2-CE3 3.22Å; F1105-W1117 HydrophobicContact CE2-CG 4.32Å; F1105-W1117 AromaticContact CE2-CZ3 3.81Å; F1105-W1117 HydrophobicContact CE2-CZ3 3.81Å; F1105-W1117 HydrophobicContact CZ-CB 3.84Å; F1105-W1117 HydrophobicContact CZ-CD2 4.03Å; F1105-W1117 AromaticContact CZ-CE3 3.87Å; F1105-W1117 HydrophobicContact CZ-CE3 3.87Å; F1105-W1117 HydrophobicContact CZ-CG 4.05Å; F1105-W1117 PolarHBondContact N-O 2.96Å; F1105-W1117 PolarHBondContact O-N 2.78Å; I1107-W1117 HydrophobicContact CB-CZ3 4.39Å; I1107-W1117 HydrophobicContact CD1-CH2 3.58Å; I1107-W1117 HydrophobicContact CD1-CZ3 3.9Å; I1107-W1117 HydrophobicContact CG1-CH2 3.87Å; I1107-W1117 HydrophobicContact CG1-CZ3 3.74Å; I1107-W1117 HydrophobicContact CG2-CZ3 4.02Å; H1115-W1117 HydrophobicContact CB-CH2 3.42Å; H1115-W1117 VanDerWaalsContact CB-CH2 3.42Å; H1115-W1117 HydrophobicContact CB-CZ2 4.07Å; H1115-W1117 HydrophobicContact CB-CZ3 3.75Å; W1117-I1119 HydrophobicContact CB-CD1 4.41Å; W1117-I1119 HydrophobicContact CB-CG1 4.1Å; W1117-Y1160 CarbonylContact C-O 3.58Å; W1117-Y1160 VanDerWaalsContact CA-O 3.26Å; W1117-Y1160 WeakPolarHBondContact CA-O 3.49Å; W1117-H1161 AromaticContact CE2-CD2 3.73Å; W1117-H1161 AromaticContact CZ2-CD2 3.98Å; W1117-H1161 AromaticContact NE1-CD2 3.67Å; W1117-H1161 AromaticContact NE1-CG 3.84Å
1118I88.1Confident75.5Confident7 Ų739.3 Ų39.34%0.03624%0.237CC..EExtended strand (participates in β ladder)trans-118.4111.1165.4-56.6170.5000105.9Q1102 A1159 Y1160 I1220Q1102-I1118 HydrophobicContact CB-CG2 4.41Å; I1118-A1159 CarbonylContact O-C 3.49Å; I1118-A1159 VanDerWaalsContact O-CA 3.29Å; I1118-A1159 WeakPolarHBondContact O-CA 3.19Å; I1118-Y1160 HydrophobicContact CD1-CD1 4.13Å; I1118-Y1160 PolarHBondContact N-O 2.8Å; I1118-Y1160 PolarHBondContact O-N 2.85Å; I1118-I1220 HydrophobicContact CD1-CD1 4.09Å; I1118-I1220 HydrophobicContact CD1-CG1 4.23Å
1119I87.1Confident72.6Confident1 Ų149.1 Ų49.11%0.00528%0.28CS..EExtended strand (participates in β ladder)trans-113.3119.2-174.5-51.5-175.6000108.5I1073 Q1102 I1103 F1105 W1117 W1121 L1154 L1156 A1159I1073-I1119 HydrophobicContact CD1-CD1 4.04Å; Q1102-I1119 CarbonylContact C-O 3.45Å; Q1102-I1119 VanDerWaalsContact CA-O 3.31Å; Q1102-I1119 WeakPolarHBondContact CA-O 3.15Å; I1103-I1119 HydrophobicContact CG2-CB 3.82Å; I1103-I1119 PolarHBondContact N-O 3.25Å; I1103-I1119 PolarHBondContact O-N 3.12Å; F1105-I1119 HydrophobicContact CE1-CD1 3.63Å; F1105-I1119 HydrophobicContact CE1-CG1 4.29Å; F1105-I1119 HydrophobicContact CZ-CD1 4.12Å; W1117-I1119 HydrophobicContact CB-CD1 4.41Å; W1117-I1119 HydrophobicContact CB-CG1 4.1Å; I1119-W1121 PolarHBondContact O-N 3.01Å; I1119-L1154 HydrophobicContact CG2-CD2 3.93Å; I1119-L1156 HydrophobicContact CD1-CD2 4.09Å; I1119-A1159 HydrophobicContact CG1-CB 3.93Å
1120P82.8Confident69.7Low40 Ų4053.5 Ų53.526%0.2632%0.316SS..EExtended strand (participates in β ladder)trans-61.9132.4168.7-24.837.3000110.5C1101 R1155 S1158C1101-P1120 WeakPolarHBondContact O-CA 3.19Å; P1120-R1155 HydrophobicContact CB-CB 4.46Å; P1120-R1155 PolarHBondContact O-N 3.39Å; P1120-S1158 WeakPolarHBondContact CD-O 3.41Å; P1120-S1158 VanDerWaalsContact CG-OG 3.3Å; P1120-S1158 WeakPolarHBondContact CG-OG 3.43Å
1121W82.9Confident67Low5 Ų557.9 Ų57.92%0.01934%0.336CS..  trans-142.9155.2178.981.1-17.8000110.6L925 V1025 L1039 I1098 N1099 C1101 Q1102 I1103 I1119 L1154L925-W1121 HydrophobicContact CD2-CZ2 4.13Å; V1025-W1121 HydrophobicContact CB-CH2 4.48Å; V1025-W1121 HydrophobicContact CG1-CH2 4Å; L1039-W1121 HydrophobicContact CD2-CE3 3.95Å; L1039-W1121 HydrophobicContact CD2-CZ3 3.52Å; I1098-W1121 HydrophobicContact CD1-CH2 3.13Å; I1098-W1121 HydrophobicContact CD1-CZ2 3.08Å; I1098-W1121 HydrophobicContact CD1-CZ3 4.2Å; I1098-W1121 HydrophobicContact CG1-CH2 3.85Å; I1098-W1121 HydrophobicContact CG1-CZ2 3.23Å; N1099-W1121 PolarHBondContact O-NE1 2.83Å; C1101-W1121 CarbonylContact C-O 3.5Å; C1101-W1121 VanDerWaalsContact CA-O 3.25Å; C1101-W1121 WeakPolarHBondContact CA-O 3.46Å; C1101-W1121 PolarHBondContact O-N 2.76Å; C1101-W1121 VanDerWaalsContact O-O 3.06Å; Q1102-W1121 VanDerWaalsContact C-CD1 3.47Å; Q1102-W1121 VanDerWaalsContact N-CD1 3.3Å; Q1102-W1121 PolarHBondContact O-NE1 2.88Å; I1103-W1121 HydrophobicContact CB-CD2 3.83Å; I1103-W1121 HydrophobicContact CB-CE3 4.03Å; I1103-W1121 HydrophobicContact CB-CG 4.25Å; I1103-W1121 HydrophobicContact CD1-CE3 4.04Å; I1103-W1121 HydrophobicContact CD1-CH2 4.23Å; I1103-W1121 HydrophobicContact CD1-CZ3 3.81Å; I1103-W1121 HydrophobicContact CG2-CB 4.45Å; I1103-W1121 HydrophobicContact CG2-CD2 4.02Å; I1103-W1121 HydrophobicContact CG2-CE3 4.04Å; I1103-W1121 HydrophobicContact CG2-CG 4.19Å; I1119-W1121 PolarHBondContact O-N 3.01Å; W1121-L1154 HydrophobicContact CB-CD2 3.69Å; W1121-L1154 HydrophobicContact CB-CG 4.32Å; W1121-L1154 HydrophobicContact CE3-CD2 4.1Å
1122C71.5Confident64.5Low76 Ų7661.8 Ų61.851%0.51436%0.361SS..  trans-147.892178.1-169.50000107.9V1124 F1152 G1153C1122-V1124 PolarHBondContact O-N 3.35Å; C1122-V1124 VanDerWaalsContact O-N 3.08Å; C1122-F1152 CarbonylContact C-O 3.34Å; C1122-F1152 PolarHBondContact N-O 2.63Å; C1122-F1152 VanDerWaalsContact N-O 3.11Å; C1122-F1152 CarbonylContact O-C 3.58Å; C1122-F1152 VanDerWaalsContact O-O 3.09Å; C1122-G1153 PolarHBondContact N-O 3.12Å
1123P65.3Low61.9Low20 Ų2068.7 Ų68.713%0.1340%0.398CS..PPolyproline II helixtrans-57.9120.1177.122.6-30.2000108.5L925 V1027 R1125L925-P1123 HydrophobicContact CD2-CG 3.97Å; V1027-P1123 HydrophobicContact CG1-CB 4.39Å; V1027-P1123 HydrophobicContact CG2-CB 4.41Å; P1123-R1125 PolarHBondContact O-N 3.03Å
1124V57.9Low59.2Low59 Ų5976 Ų7636%0.35843%0.432SS..PPolyproline II helixtrans-53.1124.7-160.21710000113.1C1122 G1126 G1150 I1151C1122-V1124 PolarHBondContact O-N 3.35Å; C1122-V1124 VanDerWaalsContact O-N 3.08Å; V1124-G1126 PolarHBondContact O-N 3.32Å; V1124-G1150 WeakPolarHBondContact CG2-O 3.44Å; V1124-I1151 WeakPolarHBondContact CG2-O 3.27Å
1125R47.7Very low56.3Low224 Ų22482.4 Ų82.485%0.84548%0.475SS*.PPolyproline II helixtrans-71.2116.5154.8-73.5-177.7178.7-178.3-1107.2P1123 S1127P1123-R1125 PolarHBondContact O-N 3.03Å; R1125-S1127 PolarHBondContact O-N 2.85Å
1126G40.7Very low53.4Low46 Ų4689.2 Ų89.247%0.47452%0.517SS..PPolyproline II helixtrans-47.8140.5175.300000111.4V1124 G1128V1124-G1126 PolarHBondContact O-N 3.32Å; G1126-G1128 VanDerWaalsContact C-N 3.32Å; G1126-G1128 PolarHBondContact O-N 2.96Å
1127S33.4Very low50.7Low135 Ų13594.6 Ų94.694%0.94456%0.555SS**SBendtrans-58.491173.153.90000109.9R1125R1125-S1127 PolarHBondContact O-N 2.85Å
1128G30.7Very low47.8Very low62 Ų62102.2 Ų102.264%0.63959%0.591SS**  trans-167.1-1-173.800000118.3G1126G1126-G1128 VanDerWaalsContact C-N 3.32Å; G1126-G1128 PolarHBondContact O-N 2.96Å
1129F32.8Very low45.3Very low207 Ų207107.3 Ų107.391%0.90862%0.624SS**  trans-120.370.4171.6-79.9-82.4000111.1
1130A31.3Very low42.8Very low92 Ų92116.5 Ų116.576%0.7666%0.661SS**  trans-83.791.8145.300000106
1131D32.2Very low40.6Very low136 Ų136122.7 Ų122.773%0.72769%0.689SS**  trans177.4133.6141-89.1-18.7000111.7
1132N32.9Very low38.3Very low137 Ų137129.4 Ų129.473%0.73372%0.721SS**  trans86.889.3160.2-57-30.4000119.2
1133N30.7Very low36.3Very low145 Ų145133.9 Ų133.978%0.77573%0.734SS**  54.5104.7123-69.6-19.8000118.3
1134Q31Very low34.7Very low190 Ų190141.8 Ų141.889%0.88877%0.769SS**  trans132.287.1141-72.6173.412.900111.4
1135C30.8Very low33.7Very low136 Ų136144.7 Ų144.792%0.91978%0.783SS**  trans-176.992.5134.4-94.10000108.7S1137C1135-S1137 PolarHBondContact O-N 2.98Å
1136T29.6Very low33.4Very low143 Ų143142 Ų14288%0.87779%0.785SS**  trans-74110172.846.60000110.6
1137S35Very low33.8Very low114 Ų114144 Ų14480%0.79779%0.785SS**  trans-166.6115.6139.743.50000109.1C1135C1135-S1137 PolarHBondContact O-N 2.98Å
1138E30.4Very low34.5Very low171 Ų171142.2 Ų142.280%0.79976%0.764SS**  trans-59.5149.6179-62.3175.7156.100111.7
1139P35.4Very low35.7Very low114 Ų114140.7 Ų140.774%0.7474%0.741SS**  -138.1130.5115.131.4-15.9000113.8
1140Y33.1Very low36.8Very low195 Ų195133.9 Ų133.977%0.76573%0.729SS**  trans-6.3111.9154.8-73.9-100.3000117
1141I36.2Very low38.5Very low169 Ų169132.7 Ų132.787%0.86771%0.709SS**  trans-93.7100.4160.1-61.1172.6000106.6
1142H34.6Very low40.5Very low147 Ų147126.3 Ų126.368%0.68168%0.675SS**  trans-85.6143.9161.6-101.3-72000109.3
1143H30.6Very low42.3Very low170 Ų170120.3 Ų120.379%0.78765%0.645SS**SBendtrans-55147.7-172.9-69.8-86.8000116.3
1144Q32.5Very low44.6Very low186 Ų186113.5 Ų113.587%0.86961%0.609SS**  trans82.164.7163.3-61.8-179.2-17.400118.8
1145D35.5Very low46.7Very low120 Ų120111.5 Ų111.564%0.64259%0.593SS**  trans-116111.3163.8-71.2-25.5000110.4D1147D1145-D1147 VanDerWaalsContact C-N 3.25Å; D1145-D1147 PolarHBondContact O-N 3.07Å
1146N42Very low48.9Very low166 Ų166106.8 Ų106.889%0.88856%0.559SS**  trans-82.85.6177.1-83.3-28.9000113
1147D48.7Very low50.8Low89 Ų89105.7 Ų105.748%0.47655%0.547SS..  trans-10819.6-163.1-66.3-40.1000114.8D1145D1145-D1147 VanDerWaalsContact C-N 3.25Å; D1145-D1147 PolarHBondContact O-N 3.07Å
1148I47.9Very low52.3Low98 Ų98102.6 Ų102.650%0.50353%0.525SS..BIsolated β-bridgetrans-98.4116.5175.1-54.8174.7000109.8G1150I1148-G1150 PolarHBondContact O-N 3.11Å
1149D57Low54.7Low30 Ų3096 Ų9616%0.1650%0.5CS..  trans-63.3117.7166.1175.416.4000109.6I1070 I1151 F1152 G1153I1070-D1149 HydrophobicContact CG2-CB 3.76Å; D1149-I1151 PolarHBondContact O-N 3.03Å; D1149-I1151 PolarHBondContact OD1-N 2.74Å; D1149-I1151 VanDerWaalsContact OD1-N 3.1Å; D1149-F1152 WeakPolarHBondContact OD2-CD2 3.23Å; D1149-F1152 PolarHBondContact OD2-N 3.36Å; D1149-G1153 VanDerWaalsContact O-CA 3.32Å; D1149-G1153 WeakPolarHBondContact O-CA 3.31Å; D1149-G1153 PolarHBondContact O-N 2.88Å
1150G56.3Low56.9Low64 Ų6493.2 Ų93.266%0.6648%0.475SS*.THydrogen-bonded Turntrans-64.2-8.6-178.500000114.9V1124 I1148V1124-G1150 WeakPolarHBondContact CG2-O 3.44Å; I1148-G1150 PolarHBondContact O-N 3.11Å
1151I66.2Low59.4Low67 Ų6787.1 Ų87.134%0.34445%0.454SS..THydrogen-bonded Turntrans-102.6-54.4-176.5-56.1179.9000112.1H1053 V1124 D1149H1053-I1151 WeakPolarHBondContact CE1-CD1 3.36Å; H1053-I1151 WeakPolarHBondContact ND1-CD1 3.38Å; V1124-I1151 WeakPolarHBondContact CG2-O 3.27Å; D1149-I1151 PolarHBondContact O-N 3.03Å; D1149-I1151 PolarHBondContact OD1-N 2.74Å; D1149-I1151 VanDerWaalsContact OD1-N 3.1Å
1152F74.8Confident61.8Low2 Ų279.5 Ų79.51%0.00941%0.414CS..THydrogen-bonded Turntrans-100.3-7.2-178.4-62.9-70.8000114.3V1027 N1037 L1039 H1053 I1070 C1122 D1149 L1154V1027-F1152 HydrophobicContact CG2-CD1 4.29Å; V1027-F1152 HydrophobicContact CG2-CE1 3.9Å; N1037-F1152 HydrophobicContact CB-CE1 4.21Å; N1037-F1152 HydrophobicContact CB-CZ 4.12Å; L1039-F1152 HydrophobicContact CB-CD2 4.49Å; L1039-F1152 HydrophobicContact CB-CE1 4.08Å; L1039-F1152 HydrophobicContact CB-CE2 4.02Å; L1039-F1152 HydrophobicContact CB-CZ 3.79Å; L1039-F1152 HydrophobicContact CD1-CD2 4.08Å; L1039-F1152 HydrophobicContact CD1-CE2 4.03Å; H1053-F1152 HydrophobicContact CB-CE2 3.98Å; H1053-F1152 AromaticContact CD2-CE2 3.54Å; H1053-F1152 AromaticContact CD2-CZ 3.7Å; H1053-F1152 AromaticContact CG-CE2 3.99Å; I1070-F1152 HydrophobicContact CD1-CD2 3.75Å; I1070-F1152 HydrophobicContact CD1-CE2 4Å; C1122-F1152 CarbonylContact C-O 3.34Å; C1122-F1152 PolarHBondContact N-O 2.63Å; C1122-F1152 VanDerWaalsContact N-O 3.11Å; C1122-F1152 CarbonylContact O-C 3.58Å; C1122-F1152 VanDerWaalsContact O-O 3.09Å; D1149-F1152 WeakPolarHBondContact OD2-CD2 3.23Å; D1149-F1152 PolarHBondContact OD2-N 3.36Å; F1152-L1154 HydrophobicContact CB-CD1 4.07Å; F1152-L1154 HydrophobicContact CB-CG 3.99Å; F1152-L1154 PolarHBondContact O-N 3.08Å
1153G70.5Confident64.2Low10 Ų1075.3 Ų75.310%0.10340%0.396CS..  trans61.131.1-178.200000113.3C1122 D1149C1122-G1153 PolarHBondContact N-O 3.12Å; D1149-G1153 VanDerWaalsContact O-CA 3.32Å; D1149-G1153 WeakPolarHBondContact O-CA 3.31Å; D1149-G1153 PolarHBondContact O-N 2.88Å
1154L77.7Confident66.8Low2 Ų267.9 Ų67.91%0.0136%0.361CS..  trans-65.6129177.7-72.5160.4000109.9L1039 L1051 I1070 I1103 I1119 W1121 F1152L1039-L1154 HydrophobicContact CD1-CD1 4.35Å; L1051-L1154 HydrophobicContact CD1-CD1 4.11Å; I1070-L1154 HydrophobicContact CD1-CD1 4.19Å; I1070-L1154 HydrophobicContact CG2-CD1 4.41Å; I1103-L1154 HydrophobicContact CG2-CD2 4.05Å; I1119-L1154 HydrophobicContact CG2-CD2 3.93Å; W1121-L1154 HydrophobicContact CB-CD2 3.69Å; W1121-L1154 HydrophobicContact CB-CG 4.32Å; W1121-L1154 HydrophobicContact CE3-CD2 4.1Å; F1152-L1154 HydrophobicContact CB-CD1 4.07Å; F1152-L1154 HydrophobicContact CB-CG 3.99Å; F1152-L1154 PolarHBondContact O-N 3.08Å
1155R76.6Confident69.1Low149 Ų14963.3 Ų63.356%0.56234%0.343SS*.BIsolated β-bridgetrans-114.686.2178.8-65.1-175.7179.8-175.8-2.5110.9P1120 D1157 S1158P1120-R1155 HydrophobicContact CB-CB 4.46Å; P1120-R1155 PolarHBondContact O-N 3.39Å; R1155-D1157 PolarHBondContact O-N 2.99Å; R1155-S1158 WeakPolarHBondContact CB-OG 3Å; R1155-S1158 PolarHBondContact O-N 2.81Å; R1155-S1158 PolarHBondContact O-OG 3.26Å
1156L75.5Confident70.9Confident37 Ų3759.4 Ų59.419%0.19433%0.325CS..G310 helixtrans-68.5-31.5-173.7-71.4140.3000113.2L1051 E1071 I1073 I1119 S1158 A1159L1051-L1156 HydrophobicContact CD1-CD2 4.31Å; E1071-L1156 HydrophobicContact CB-CD1 3.81Å; E1071-L1156 HydrophobicContact CG-CD1 3.44Å; E1071-L1156 VanDerWaalsContact CG-CD1 3.44Å; E1071-L1156 HydrophobicContact CG-CD2 4.17Å; E1071-L1156 HydrophobicContact CG-CG 4.39Å; I1073-L1156 HydrophobicContact CD1-CD2 3.98Å; I1073-L1156 HydrophobicContact CG1-CD2 4.13Å; I1119-L1156 HydrophobicContact CD1-CD2 4.09Å; L1156-S1158 PolarHBondContact O-N 2.85Å; L1156-A1159 WeakPolarHBondContact O-CB 3.47Å; L1156-A1159 PolarHBondContact O-N 2.71Å
1157D69.6Low72.2Confident120 Ų12058.9 Ų58.964%0.64232%0.317SS*.G310 helixtrans-64.1-21.8175.6-55.1-44.2000113.4R1155R1155-D1157 PolarHBondContact O-N 2.99Å
1158S67.4Low73.1Confident48 Ų4856.6 Ų56.634%0.33631%0.307SS..G310 helixtrans-98.79.1174.261.70000113.5P1120 R1155 L1156P1120-S1158 WeakPolarHBondContact CD-O 3.41Å; P1120-S1158 VanDerWaalsContact CG-OG 3.3Å; P1120-S1158 WeakPolarHBondContact CG-OG 3.43Å; R1155-S1158 WeakPolarHBondContact CB-OG 3Å; R1155-S1158 PolarHBondContact O-N 2.81Å; R1155-S1158 PolarHBondContact O-OG 3.26Å; L1156-S1158 PolarHBondContact O-N 2.85Å
1159A79.6Confident74.1Confident32 Ų3253.7 Ų53.726%0.26429%0.292SS..  trans-70.1131.6176.500000110.4I1118 I1119 L1156I1118-A1159 CarbonylContact O-C 3.49Å; I1118-A1159 VanDerWaalsContact O-CA 3.29Å; I1118-A1159 WeakPolarHBondContact O-CA 3.19Å; I1119-A1159 HydrophobicContact CG1-CB 3.93Å; L1156-A1159 WeakPolarHBondContact O-CB 3.47Å; L1156-A1159 PolarHBondContact O-N 2.71Å
1160Y82.1Confident74.3Confident56 Ų5656 Ų5622%0.2231%0.309CS..EExtended strand (participates in β ladder)trans-94.3124.3168.8176.7-101000110.6W1117 I1118 W1162 P1217 I1220 V1228W1117-Y1160 CarbonylContact C-O 3.58Å; W1117-Y1160 VanDerWaalsContact CA-O 3.26Å; W1117-Y1160 WeakPolarHBondContact CA-O 3.49Å; I1118-Y1160 HydrophobicContact CD1-CD1 4.13Å; I1118-Y1160 PolarHBondContact N-O 2.8Å; I1118-Y1160 PolarHBondContact O-N 2.85Å; Y1160-W1162 AromaticContact CD1-CD1 3.77Å; Y1160-W1162 HydrophobicContact CE1-CB 4.03Å; Y1160-W1162 AromaticContact CE1-CD1 3.59Å; Y1160-W1162 HydrophobicContact CE1-CG 4.18Å; Y1160-P1217 HydrophobicContact CE1-CG 4.05Å; Y1160-I1220 HydrophobicContact CD1-CD1 3.39Å; Y1160-I1220 HydrophobicContact CD1-CG1 4.34Å; Y1160-I1220 HydrophobicContact CD2-CD1 3.45Å; Y1160-I1220 VanDerWaalsContact CD2-CD1 3.45Å; Y1160-I1220 HydrophobicContact CE1-CD1 4.08Å; Y1160-I1220 HydrophobicContact CE2-CD1 4.15Å; Y1160-I1220 HydrophobicContact CG-CD1 3.01Å; Y1160-I1220 HydrophobicContact CG-CG1 4.25Å; Y1160-V1228 HydrophobicContact CE2-CG1 4.49Å; Y1160-V1228 VanDerWaalsContact OH-CG1 3.31Å; Y1160-V1228 WeakPolarHBondContact OH-CG1 3.33Å
1161H85.5Confident74.4Confident68 Ų6857.7 Ų57.732%0.31531%0.308SS..EExtended strand (participates in β ladder)trans-108.9135.2177.3171-129.3000110.5H1115 G1116 W1117H1115-H1161 AromaticContact CG-NE2 3.82Å; H1115-H1161 AromaticContact ND1-CE1 3.72Å; H1115-H1161 AromaticContact ND1-NE2 3.21Å; H1115-H1161 PolarHBondContact ND1-NE2 3.4Å; G1116-H1161 WeakPolarHBondContact O-CA 3.49Å; G1116-H1161 PolarHBondContact O-CD2 2.87Å; W1117-H1161 AromaticContact CE2-CD2 3.73Å; W1117-H1161 AromaticContact CZ2-CD2 3.98Å; W1117-H1161 AromaticContact NE1-CD2 3.67Å; W1117-H1161 AromaticContact NE1-CG 3.84Å
1162W87.1Confident74.1Confident9 Ų959.1 Ų59.13%0.03431%0.312CS..EExtended strand (participates in β ladder)trans-130152.3171.754.7-96.4000111.1L1096 A1106 L1114 H1115 G1116 Y1160 L1164 I1202 V1216 P1231L1096-W1162 HydrophobicContact CD1-CZ2 4.17Å; A1106-W1162 HydrophobicContact CB-CH2 3.89Å; A1106-W1162 HydrophobicContact CB-CZ2 4.19Å; L1114-W1162 HydrophobicContact CD2-CH2 4.1Å; L1114-W1162 HydrophobicContact CD2-CZ3 3.84Å; L1114-W1162 HydrophobicContact CG-CH2 4.2Å; L1114-W1162 HydrophobicContact CG-CZ3 3.86Å; H1115-W1162 WeakPolarHBondContact CA-O 2.96Å; G1116-W1162 VanDerWaalsContact CA-CE2 3.49Å; G1116-W1162 PolarHBondContact N-O 3.18Å; G1116-W1162 PolarHBondContact O-N 2.9Å; Y1160-W1162 AromaticContact CD1-CD1 3.77Å; Y1160-W1162 HydrophobicContact CE1-CB 4.03Å; Y1160-W1162 AromaticContact CE1-CD1 3.59Å; Y1160-W1162 HydrophobicContact CE1-CG 4.18Å; W1162-L1164 HydrophobicContact CZ3-CD1 4.41Å; W1162-I1202 HydrophobicContact CH2-CD1 3.64Å; W1162-I1202 HydrophobicContact CZ2-CD1 4.08Å; W1162-V1216 HydrophobicContact CH2-CB 4.11Å; W1162-V1216 HydrophobicContact CH2-CG1 3.73Å; W1162-V1216 HydrophobicContact CH2-CG2 4.34Å; W1162-V1216 HydrophobicContact CZ2-CB 3.84Å; W1162-V1216 HydrophobicContact CZ2-CG1 4Å; W1162-V1216 HydrophobicContact CZ2-CG2 3.96Å; W1162-V1216 HydrophobicContact CZ3-CG1 4.01Å; W1162-P1231 HydrophobicContact CB-CG 4.07Å; W1162-P1231 HydrophobicContact CD2-CG 4.31Å; W1162-P1231 HydrophobicContact CE3-CB 4.25Å; W1162-P1231 HydrophobicContact CE3-CG 4.03Å; W1162-P1231 HydrophobicContact CG-CG 4.36Å
1163M86.1Confident73.2Confident59 Ų5966.3 Ų66.329%0.29135%0.345SS..EExtended strand (participates in β ladder)trans-132.4138.1-178.5-172.4-168.2-56.800110.4L1078 L1114 H1115 N1165L1078-M1163 HydrophobicContact CD1-CE 3.93Å; L1114-M1163 CarbonylContact O-C 3.54Å; L1114-M1163 WeakPolarHBondContact O-CA 3.5Å; H1115-M1163 VanDerWaalsContact CE1-CE 3.44Å; H1115-M1163 WeakPolarHBondContact CE1-CE 3.37Å; M1163-N1165 WeakPolarHBondContact CG-OD1 3.27Å; M1163-N1165 PolarHBondContact SD-OD1 3.29Å
1164L84.8Confident72.6Confident13 Ų1371.3 Ų71.37%0.06837%0.368CS..EExtended strand (participates in β ladder)trans-126.1116.1175.6-93.2177.1000109.9L1114 W1162 A1214 V1216 P1231 W1233L1114-L1164 HydrophobicContact CB-CB 4.02Å; L1114-L1164 HydrophobicContact CD2-CB 4.34Å; L1114-L1164 HydrophobicContact CD2-CD1 3.92Å; L1114-L1164 PolarHBondContact N-O 2.84Å; L1114-L1164 PolarHBondContact O-N 3.35Å; W1162-L1164 HydrophobicContact CZ3-CD1 4.41Å; L1164-A1214 HydrophobicContact CD1-CB 3.46Å; L1164-A1214 VanDerWaalsContact CD1-CB 3.46Å; L1164-V1216 HydrophobicContact CD1-CG1 4.31Å; L1164-P1231 HydrophobicContact CD1-CB 3.69Å; L1164-P1231 HydrophobicContact CD1-CG 4.38Å; L1164-P1231 HydrophobicContact CD2-CB 4.21Å; L1164-P1231 HydrophobicContact CD2-CG 4.33Å; L1164-P1231 VanDerWaalsContact CD2-O 3.26Å; L1164-P1231 WeakPolarHBondContact CD2-O 3.15Å; L1164-P1231 HydrophobicContact CG-CB 3.77Å; L1164-P1231 HydrophobicContact CG-CG 3.91Å; L1164-W1233 HydrophobicContact CB-CZ2 4.23Å
1165N79.4Confident71.4Confident90 Ų9080.6 Ų80.648%0.48141%0.412SS..EExtended strand (participates in β ladder)trans-103.3157.8177-65.4-5.7000110.2E1113 M1163 W1233E1113-N1165 WeakPolarHBondContact CG-OD1 3.37Å; M1163-N1165 WeakPolarHBondContact CG-OD1 3.27Å; M1163-N1165 PolarHBondContact SD-OD1 3.29Å; N1165-W1233 PolarHBondContact O-NE1 3.45Å
1166C74Confident70.4Confident39 Ų3979.2 Ų79.226%0.26442%0.415SS..  trans-149.5158.7176.9-137.30000113.3F1180 R1212 W1233C1166-F1180 HydrophobicContact CB-CE2 4.47Å; C1166-F1180 HydrophobicContact CB-CZ 3.81Å; C1166-R1212 PolarHBondContact SG-NH1 2.66Å; C1166-W1233 HydrophobicContact CB-CZ2 4.17Å; C1166-W1233 VanDerWaalsContact SG-CD1 3.59Å; C1166-W1233 PolarHBondContact SG-NE1 3.41Å; C1166-W1233 VanDerWaalsContact SG-NE1 3.37Å
1167Q69.7Low69.9Low155 Ų15584.2 Ų84.272%0.72444%0.438SS*.PPolyproline II helixtrans-101.2155.1176.4-67.3-66.8-40.200110.7R1212Q1167-R1212 PolarHBondContact O-NH1 2.75Å; Q1167-R1212 PolarHBondContact O-NH2 2.92Å; Q1167-R1212 VanDerWaalsContact O-NH2 3.07Å
1168P66.8Low70.4Confident40 Ų4079.3 Ų79.326%0.2641%0.411SS..PPolyproline II helixtrans-57144.8173.2-22.432.6000112.3
1169I70.5Confident71.4Confident38 Ų3877.3 Ų77.320%0.19540%0.398CS..PPolyproline II helixtrans-97.2138177.7-62.5166.1000109.3F1172 V1238I1169-F1172 PolarHBondContact O-N 2.82Å; I1169-V1238 HydrophobicContact CB-CG2 4.05Å; I1169-V1238 HydrophobicContact CD1-CG2 4.45Å; I1169-V1238 HydrophobicContact CG2-CG2 3.79Å
1170P60.3Low72Confident79 Ų7975.8 Ų75.851%0.51339%0.385SS..THydrogen-bonded Turntrans-52.5144.6175.4-25.934.1000112.8
1171P58.6Low72.6Confident98 Ų9874.6 Ų74.664%0.63638%0.383SS*.THydrogen-bonded Turncis-88.40.416.135.3-36.9000115.4H1173P1171-H1173 PolarHBondContact O-CD2 3Å; P1171-H1173 PolarHBondContact O-N 2.85Å
1172F60.1Low73Confident98 Ų9871.4 Ų71.443%0.4337%0.368SS..  trans-8087.2-176.9-58.5-78.9000110.3I1169 D1208I1169-F1172 PolarHBondContact O-N 2.82Å; F1172-D1208 HydrophobicContact CD2-CB 4.15Å; F1172-D1208 WeakPolarHBondContact CE2-O 3.45Å
1173H55.4Low73.3Confident153 Ų15371.1 Ų71.171%0.70837%0.367SS*.  trans-90.511.2-179.5-71.9-68.5000114.6P1171 Q1175P1171-H1173 PolarHBondContact O-CD2 3Å; P1171-H1173 PolarHBondContact O-N 2.85Å; H1173-Q1175 PolarHBondContact O-N 3.02Å
1174I57.2Low73.6Confident114 Ų11468.6 Ų68.659%0.58536%0.355SS*.  trans-76.2124.8178.1-50.5177000107.4N1176I1174-N1176 HydrophobicContact CG2-CB 4.06Å; I1174-N1176 VanDerWaalsContact CG2-CG 3.45Å; I1174-N1176 PolarHBondContact O-N 3.33Å
1175Q54Low73.8Confident198 Ų19868.3 Ų68.393%0.92535%0.354SS*.  trans-6216176.2-81.8-176.3-26.900114.5H1173H1173-Q1175 PolarHBondContact O-N 3.02Å
1176N54.6Low73.5Confident119 Ų11964.1 Ų64.164%0.63633%0.332SS*.PPolyproline II helixtrans-69.4143.2178.2-73.2-2.3000110.1I1174 L1178I1174-N1176 HydrophobicContact CG2-CB 4.06Å; I1174-N1176 VanDerWaalsContact CG2-CG 3.45Å; I1174-N1176 PolarHBondContact O-N 3.33Å; N1176-L1178 PolarHBondContact O-N 3.27Å; N1176-L1178 VanDerWaalsContact O-N 3.17Å
1177Q65.2Low73.1Confident142 Ų14270.8 Ų70.866%0.66436%0.363SS*.PPolyproline II helixtrans-58.5118.3175.6-68.2179.7-9.700109.3
1178L79.8Confident72.6Confident17 Ų1765 Ų659%0.08934%0.336CS..PPolyproline II helixtrans-70.2139.5173.6-176.482.9000108.6R1111 G1112 N1176 F1180 D1208R1111-L1178 CarbonylContact C-O 3.38Å; R1111-L1178 WeakPolarHBondContact CA-O 3.32Å; G1112-L1178 WeakPolarHBondContact CA-O 3.4Å; G1112-L1178 PolarHBondContact N-O 2.79Å; N1176-L1178 PolarHBondContact O-N 3.27Å; N1176-L1178 VanDerWaalsContact O-N 3.17Å; L1178-F1180 HydrophobicContact CD2-CD1 3.97Å; L1178-F1180 HydrophobicContact CD2-CE1 3.44Å; L1178-F1180 VanDerWaalsContact CD2-CE1 3.44Å; L1178-F1180 HydrophobicContact CD2-CZ 4.13Å; L1178-D1208 HydrophobicContact CD1-CB 3.56Å
1179A88.3Confident72.2Confident6 Ų668 Ų685%0.0535%0.347CS..PPolyproline II helixtrans-99.6145.7165.400000111.4L1091 G1206 D1207L1091-A1179 HydrophobicContact CD1-CB 3.8Å; A1179-G1206 WeakPolarHBondContact O-CA 3.45Å; A1179-D1207 VanDerWaalsContact CB-OD2 3.24Å; A1179-D1207 WeakPolarHBondContact CB-OD2 3.27Å; A1179-D1207 PolarHBondContact O-N 2.81Å; A1179-D1207 VanDerWaalsContact O-N 3.08Å
1180F92.7Very high71.5Confident0 Ų066.6 Ų66.60%034%0.34CS..EExtended strand (participates in β ladder)trans-102.9104.3166.8-73.9-29.7000109.5L1091 S1108 N1109 G1112 C1166 L1178 V1204 G1205 W1233L1091-F1180 WeakPolarHBondContact CD1-O 3.36Å; S1108-F1180 WeakPolarHBondContact CB-O 3.42Å; S1108-F1180 PolarHBondContact OG-O 2.77Å; N1109-F1180 PolarHBondContact O-N 2.87Å; G1112-F1180 VanDerWaalsContact CA-CD2 3.48Å; G1112-F1180 WeakPolarHBondContact O-CD2 3.36Å; G1112-F1180 WeakPolarHBondContact O-CE2 3.49Å; C1166-F1180 HydrophobicContact CB-CE2 4.47Å; C1166-F1180 HydrophobicContact CB-CZ 3.81Å; L1178-F1180 HydrophobicContact CD2-CD1 3.97Å; L1178-F1180 HydrophobicContact CD2-CE1 3.44Å; L1178-F1180 VanDerWaalsContact CD2-CE1 3.44Å; L1178-F1180 HydrophobicContact CD2-CZ 4.13Å; F1180-V1204 HydrophobicContact CB-CG1 3.56Å; F1180-V1204 HydrophobicContact CD1-CG1 3.72Å; F1180-V1204 HydrophobicContact CD2-CG1 3.9Å; F1180-V1204 HydrophobicContact CE1-CG1 4.35Å; F1180-V1204 HydrophobicContact CG-CG1 3.46Å; F1180-V1204 VanDerWaalsContact CG-CG1 3.46Å; F1180-G1205 CarbonylContact C-O 3.57Å; F1180-G1205 WeakPolarHBondContact CA-O 3.36Å; F1180-W1233 AromaticContact CE2-CH2 3.9Å; F1180-W1233 HydrophobicContact CE2-CH2 3.9Å; F1180-W1233 AromaticContact CE2-CZ2 3.7Å; F1180-W1233 HydrophobicContact CE2-CZ2 3.7Å; F1180-W1233 AromaticContact CZ-CH2 3.92Å; F1180-W1233 HydrophobicContact CZ-CH2 3.92Å; F1180-W1233 AromaticContact CZ-CZ2 3.77Å; F1180-W1233 HydrophobicContact CZ-CZ2 3.77Å
1181N93.8Very high71.3Confident32 Ų3268 Ų6817%0.17135%0.348CS..EExtended strand (participates in β ladder)trans-84.6-25-168.1-56.7-49.6000114.1L1091 D1092 G1205 D1207 S1243 V1244L1091-N1181 WeakPolarHBondContact CD1-OD1 3.48Å; D1092-N1181 WeakPolarHBondContact CB-O 3.31Å; N1181-G1205 PolarHBondContact N-O 2.97Å; N1181-D1207 PolarHBondContact ND2-OD1 2.98Å; N1181-D1207 PolarHBondContact OD1-OD1 2.86Å; N1181-S1243 PolarHBondContact ND2-OG 3.38Å; N1181-V1244 VanDerWaalsContact CB-O 3.26Å; N1181-V1244 WeakPolarHBondContact CB-O 3.42Å; N1181-V1244 PolarHBondContact ND2-O 3.34Å; N1181-V1244 VanDerWaalsContact ND2-O 3.12Å
1182C94.5Very high71.1Confident0 Ų064.7 Ų64.70%032%0.324CS..EExtended strand (participates in β ladder)trans-149.2149.3-175.159.90000112.7D1092 V1204 G1205 V1245 K1246 I1247D1092-C1182 VanDerWaalsContact OD2-CA 3.27Å; D1092-C1182 WeakPolarHBondContact OD2-CA 3.33Å; C1182-V1204 WeakPolarHBondContact O-CA 3.48Å; C1182-V1204 WeakPolarHBondContact O-CG1 3.5Å; C1182-G1205 PolarHBondContact O-N 2.87Å; C1182-V1245 WeakPolarHBondContact CB-O 3.42Å; C1182-K1246 HydrophobicContact CB-CD 4.24Å; C1182-I1247 VanDerWaalsContact SG-CG1 3.59Å
1183I94.6Very high70.6Confident4 Ų465.4 Ų65.42%0.02134%0.341CS..EExtended strand (participates in β ladder)trans-136.6141.6-177.4-173.3-174.6000110.2D1092 K1094 A1106 L1114 I1202 V1203 V1204D1092-I1183 HydrophobicContact CB-CG2 3.87Å; D1092-I1183 PolarHBondContact OD2-N 2.8Å; K1094-I1183 HydrophobicContact CB-CD1 4.44Å; K1094-I1183 HydrophobicContact CB-CG2 3.91Å; A1106-I1183 HydrophobicContact CB-CD1 3.57Å; L1114-I1183 HydrophobicContact CD1-CD1 3.4Å; L1114-I1183 HydrophobicContact CD1-CG1 4.16Å; I1183-I1202 HydrophobicContact CD1-CD1 4.42Å; I1183-I1202 HydrophobicContact CD1-CG2 3.79Å; I1183-I1202 HydrophobicContact CG1-CG2 3.53Å; I1183-V1203 CarbonylContact C-O 3.59Å; I1183-V1203 WeakPolarHBondContact CA-O 2.95Å; I1183-V1204 HydrophobicContact CG1-CG2 4.35Å
1184T92.4Very high70.4Confident6 Ų665 Ų654%0.03735%0.345CS..EExtended strand (participates in β ladder)trans-145.5163.9168.7-157.50000111.3I1202 V1203 I1247 T1249T1184-I1202 WeakPolarHBondContact O-CA 3.4Å; T1184-V1203 HydrophobicContact CG2-CB 3.94Å; T1184-V1203 HydrophobicContact CG2-CG2 4.35Å; T1184-V1203 PolarHBondContact N-O 2.8Å; T1184-V1203 PolarHBondContact O-N 3.28Å; T1184-I1247 HydrophobicContact CG2-CB 4.07Å; T1184-I1247 HydrophobicContact CG2-CG2 3.43Å; T1184-I1247 VanDerWaalsContact CG2-CG2 3.43Å; T1184-T1249 HydrophobicContact CG2-CG2 4.4Å; T1184-T1249 VanDerWaalsContact OG1-CG2 3.29Å; T1184-T1249 WeakPolarHBondContact OG1-CG2 3.41Å
1185S87.3Confident70.2Confident6 Ų661.3 Ų61.34%0.04233%0.327CS..  trans-139.6122.3179-166.80000109.1T1200 I1201S1185-T1200 PolarHBondContact OG-OG1 2.84Å; S1185-I1201 WeakPolarHBondContact CA-O 3.4Å; S1185-I1201 PolarHBondContact OG-O 2.83Å
1186P73.6Confident70.4Confident3 Ų358.2 Ų58.22%0.01932%0.317CS..  trans-54.6144.116019.2-34.5000112.6I1188 T1200 I1201 Y1261P1186-I1188 HydrophobicContact CB-CB 4.33Å; P1186-I1188 HydrophobicContact CB-CD1 3.95Å; P1186-I1188 HydrophobicContact CB-CG1 3.99Å; P1186-I1188 PolarHBondContact O-N 2.93Å; P1186-T1200 PolarHBondContact O-OG1 3.49Å; P1186-I1201 WeakPolarHBondContact CD-O 3.11Å; P1186-I1201 HydrophobicContact CG-CB 3.83Å; P1186-I1201 HydrophobicContact CG-CG2 4.37Å; P1186-Y1261 HydrophobicContact CB-CD1 4.24Å; P1186-Y1261 HydrophobicContact CB-CD2 3.63Å; P1186-Y1261 HydrophobicContact CB-CE1 4.12Å; P1186-Y1261 HydrophobicContact CB-CE2 3.53Å; P1186-Y1261 HydrophobicContact CB-CG 3.98Å; P1186-Y1261 HydrophobicContact CG-CD1 4.27Å; P1186-Y1261 HydrophobicContact CG-CE1 4.17Å; P1186-Y1261 HydrophobicContact CG-CE2 4.44Å; P1186-Y1261 HydrophobicContact CG-CG 4.41Å
1187I65.3Low70.7Confident178 Ų17854 Ų5491%0.91330%0.295SS*.SBendtrans-78.564166.5-51.3167.3000107.9
1188I58.8Low71.1Confident33 Ų3349.1 Ų49.117%0.16927%0.274CS..  trans-126.5114.1175.5-60.5170.9000106.9P1186 V1190 T1200 L1255 L1260 Y1261P1186-I1188 HydrophobicContact CB-CB 4.33Å; P1186-I1188 HydrophobicContact CB-CD1 3.95Å; P1186-I1188 HydrophobicContact CB-CG1 3.99Å; P1186-I1188 PolarHBondContact O-N 2.93Å; I1188-V1190 HydrophobicContact CG2-CG2 4.18Å; I1188-T1200 PolarHBondContact O-OG1 2.81Å; I1188-L1255 HydrophobicContact CD1-CD2 4.35Å; I1188-L1260 WeakPolarHBondContact CD1-O 3.28Å; I1188-Y1261 HydrophobicContact CD1-CD2 4.31Å; I1188-Y1261 HydrophobicContact CD1-CG 4.45Å
1189E59.2Low70.9Confident105 Ų10548.4 Ų48.449%0.49127%0.27SS..  trans-81.9115168.4-69.4-172.7171.400108.2Q1097 I1198 L1218Q1097-E1189 PolarHBondContact NE2-OE1 3.48Å; E1189-I1198 HydrophobicContact CB-CG2 3.9Å; E1189-I1198 HydrophobicContact CG-CG2 3.84Å; E1189-L1218 HydrophobicContact CG-CD1 4.23Å
1190V56.7Low70.7Confident8 Ų848.2 Ų48.25%0.04827%0.268CS..EExtended strand (participates in β ladder)trans-94.2106.9172.5-176.70000107.5I1188 S1199 I1201I1188-V1190 HydrophobicContact CG2-CG2 4.18Å; V1190-S1199 PolarHBondContact N-O 2.82Å; V1190-S1199 PolarHBondContact O-N 3.05Å; V1190-S1199 PolarHBondContact O-OG 2.88Å; V1190-I1201 HydrophobicContact CG2-CD1 4.3Å; V1190-I1201 HydrophobicContact CG2-CG1 4.36Å
1191T54.8Low70.5Confident109 Ų10948.2 Ų48.267%0.66927%0.268SS*.EExtended strand (participates in β ladder)trans-78.6119.6167.436.60000109.3
1192L54.1Low70.3Confident27 Ų2746.7 Ų46.714%0.14126%0.26CS..  trans-79.6132.1170.2-70.6164.9000108D1194 T1229L1192-D1194 PolarHBondContact O-N 2.84Å; L1192-T1229 HydrophobicContact CD1-CG2 3.83Å
1193S49.6Very low70.3Confident113 Ų11346.7 Ų46.779%0.7926%0.26SS*.SBendtrans-65.2-20.6-17453.30000113.8
1194D52.7Low70.3Confident146 Ų14646.5 Ų46.578%0.78126%0.259SS*.SBendtrans-109-14.2-165.6-60.2-3.3000112.4L1192L1192-D1194 PolarHBondContact O-N 2.84Å
1195T52.4Low70.4Confident35 Ų3546.2 Ų46.222%0.21526%0.258CS..SBendtrans-141.1125.3178.854.40000107.1T1197 D1227T1195-T1197 PolarHBondContact O-N 2.71Å; T1195-T1197 PolarHBondContact O-OG1 3.18Å; T1195-T1197 PolarHBondContact OG1-OG1 3.38Å; T1195-D1227 HydrophobicContact CG2-CB 3.96Å
1196N56.9Low70.6Confident134 Ų13446 Ų4672%0.71726%0.256SS*.  trans-64.227.4177.6-95.6-29.7000113.6
1197T61.6Low71.4Confident29 Ų2949.4 Ų49.418%0.17827%0.274CS..  trans-83.9122.2176.155.10000109.9T1195T1195-T1197 PolarHBondContact O-N 2.71Å; T1195-T1197 PolarHBondContact O-OG1 3.18Å; T1195-T1197 PolarHBondContact OG1-OG1 3.38Å
1198I72.9Confident72.4Confident41 Ų4141.4 Ų41.421%0.2123%0.233CC..EExtended strand (participates in β ladder)trans-84.1128.4172.1-56.4174.6000107.2E1189 L1218E1189-I1198 HydrophobicContact CB-CG2 3.9Å; E1189-I1198 HydrophobicContact CG-CG2 3.84Å; I1198-L1218 HydrophobicContact CB-CB 4.44Å; I1198-L1218 HydrophobicContact CG2-CB 4.15Å; I1198-L1218 HydrophobicContact CG2-CD1 3.87Å; I1198-L1218 PolarHBondContact O-N 2.85Å
1199S77.4Confident73.9Confident1 Ų139.8 Ų39.81%0.00723%0.225CC..EExtended strand (participates in β ladder)trans-124.7155.9176.559.70000110.7V1190 Q1215 V1216V1190-S1199 PolarHBondContact N-O 2.82Å; V1190-S1199 PolarHBondContact O-N 3.05Å; V1190-S1199 PolarHBondContact O-OG 2.88Å; S1199-Q1215 PolarHBondContact OG-NE2 3.36Å; S1199-V1216 CarbonylContact C-O 3.59Å; S1199-V1216 WeakPolarHBondContact CA-O 3.31Å; S1199-V1216 VanDerWaalsContact CB-O 3.23Å; S1199-V1216 WeakPolarHBondContact CB-O 3.43Å
1200T83.7Confident75.4Confident3 Ų334.8 Ų34.82%0.01820%0.201CC..EExtended strand (participates in β ladder)trans-122.9168.3170.6-162.30000110.6S1185 P1186 I1188 Q1215 V1216 L1218S1185-T1200 PolarHBondContact OG-OG1 2.84Å; P1186-T1200 PolarHBondContact O-OG1 3.49Å; I1188-T1200 PolarHBondContact O-OG1 2.81Å; T1200-Q1215 WeakPolarHBondContact O-CA 3.19Å; T1200-V1216 HydrophobicContact CG2-CG2 3.62Å; T1200-V1216 PolarHBondContact N-O 2.9Å; T1200-V1216 PolarHBondContact O-N 2.81Å; T1200-L1218 HydrophobicContact CG2-CD1 4.19Å; T1200-L1218 HydrophobicContact CG2-CD2 3.61Å; T1200-L1218 HydrophobicContact CG2-CG 3.81Å
1201I87.4Confident77.1Confident0 Ų034.4 Ų34.40%020%0.199CC..EExtended strand (participates in β ladder)trans-104129.7178.2-58.2172.4000107.1S1185 P1186 V1190 I1213 A1214 L1277 F1285S1185-I1201 WeakPolarHBondContact CA-O 3.4Å; S1185-I1201 PolarHBondContact OG-O 2.83Å; P1186-I1201 WeakPolarHBondContact CD-O 3.11Å; P1186-I1201 HydrophobicContact CG-CB 3.83Å; P1186-I1201 HydrophobicContact CG-CG2 4.37Å; V1190-I1201 HydrophobicContact CG2-CD1 4.3Å; V1190-I1201 HydrophobicContact CG2-CG1 4.36Å; I1201-I1213 HydrophobicContact CG2-CG2 3.43Å; I1201-I1213 VanDerWaalsContact CG2-CG2 3.43Å; I1201-A1214 CarbonylContact C-O 3.56Å; I1201-A1214 WeakPolarHBondContact CA-O 3.26Å; I1201-L1277 HydrophobicContact CD1-CD2 3.97Å; I1201-L1277 HydrophobicContact CG2-CD2 4.09Å; I1201-F1285 HydrophobicContact CD1-CD1 4.14Å; I1201-F1285 HydrophobicContact CD1-CE1 3.38Å; I1201-F1285 HydrophobicContact CD1-CE2 4.35Å; I1201-F1285 HydrophobicContact CD1-CZ 3.51Å; I1201-F1285 HydrophobicContact CG1-CE1 4.28Å; I1201-F1285 HydrophobicContact CG1-CE2 4.45Å; I1201-F1285 HydrophobicContact CG1-CZ 3.9Å
1202I91.2Very high78.8Confident0 Ų029.4 Ų29.40%017%0.168CC..EExtended strand (participates in β ladder)trans-108.8139170.6-67.9179.3000108.8L1096 A1106 L1114 W1162 I1183 T1184 V1204 I1213 A1214 V1216L1096-I1202 HydrophobicContact CD1-CD1 3.9Å; L1096-I1202 HydrophobicContact CD2-CD1 3.66Å; L1096-I1202 HydrophobicContact CD2-CG1 3.81Å; L1096-I1202 HydrophobicContact CG-CD1 4.43Å; A1106-I1202 HydrophobicContact CB-CD1 3.93Å; L1114-I1202 HydrophobicContact CD1-CG2 4.43Å; L1114-I1202 HydrophobicContact CD2-CD1 4.44Å; L1114-I1202 HydrophobicContact CD2-CG2 4.09Å; W1162-I1202 HydrophobicContact CH2-CD1 3.64Å; W1162-I1202 HydrophobicContact CZ2-CD1 4.08Å; I1183-I1202 HydrophobicContact CD1-CD1 4.42Å; I1183-I1202 HydrophobicContact CD1-CG2 3.79Å; I1183-I1202 HydrophobicContact CG1-CG2 3.53Å; T1184-I1202 WeakPolarHBondContact O-CA 3.4Å; I1202-V1204 HydrophobicContact CG2-CG2 3.77Å; I1202-I1213 VanDerWaalsContact O-CA 3.31Å; I1202-I1213 WeakPolarHBondContact O-CA 3.46Å; I1202-A1214 PolarHBondContact N-O 3.15Å; I1202-A1214 PolarHBondContact O-N 3.39Å; I1202-V1216 HydrophobicContact CD1-CB 4.34Å; I1202-V1216 HydrophobicContact CD1-CG1 3.97Å; I1202-V1216 HydrophobicContact CD1-CG2 3.52Å; I1202-V1216 HydrophobicContact CG1-CG1 4.42Å; I1202-V1216 HydrophobicContact CG1-CG2 3.81Å
1203V93.1Very high80.6Confident0 Ų028.1 Ų28.10%016%0.161CC..EExtended strand (participates in β ladder)trans-114.8130.4172.6-167.60000108.8I1183 T1184 I1211 R1212 I1213 I1247 F1263I1183-V1203 CarbonylContact C-O 3.59Å; I1183-V1203 WeakPolarHBondContact CA-O 2.95Å; T1184-V1203 HydrophobicContact CG2-CB 3.94Å; T1184-V1203 HydrophobicContact CG2-CG2 4.35Å; T1184-V1203 PolarHBondContact N-O 2.8Å; T1184-V1203 PolarHBondContact O-N 3.28Å; V1203-I1211 HydrophobicContact CG1-CG2 3.59Å; V1203-R1212 CarbonylContact C-O 3.41Å; V1203-R1212 WeakPolarHBondContact CA-O 3.5Å; V1203-I1213 HydrophobicContact CB-CG1 4.44Å; V1203-I1213 HydrophobicContact CG1-CG1 4.11Å; V1203-I1213 HydrophobicContact CG2-CD1 4.24Å; V1203-I1213 HydrophobicContact CG2-CG1 4.08Å; V1203-I1247 HydrophobicContact CG1-CD1 4.08Å; V1203-I1247 HydrophobicContact CG1-CG2 4.4Å; V1203-F1263 HydrophobicContact CG1-CD2 4.38Å; V1203-F1263 HydrophobicContact CG1-CE2 3.83Å; V1203-F1263 HydrophobicContact CG1-CZ 3.89Å; V1203-F1263 HydrophobicContact CG2-CE1 4.49Å
1204V94.6Very high82.4Confident0 Ų022.7 Ų22.70%012%0.123CC..EExtended strand (participates in β ladder)trans-126142.4-177.5-170.10000110.2L1114 F1180 C1182 I1183 I1202 I1211 R1212 W1233L1114-V1204 HydrophobicContact CD1-CG2 4.04Å; L1114-V1204 HydrophobicContact CD2-CG2 4.13Å; F1180-V1204 HydrophobicContact CB-CG1 3.56Å; F1180-V1204 HydrophobicContact CD1-CG1 3.72Å; F1180-V1204 HydrophobicContact CD2-CG1 3.9Å; F1180-V1204 HydrophobicContact CE1-CG1 4.35Å; F1180-V1204 HydrophobicContact CG-CG1 3.46Å; F1180-V1204 VanDerWaalsContact CG-CG1 3.46Å; C1182-V1204 WeakPolarHBondContact O-CA 3.48Å; C1182-V1204 WeakPolarHBondContact O-CG1 3.5Å; I1183-V1204 HydrophobicContact CG1-CG2 4.35Å; I1202-V1204 HydrophobicContact CG2-CG2 3.77Å; V1204-I1211 WeakPolarHBondContact O-CA 3.32Å; V1204-R1212 PolarHBondContact N-O 3.11Å; V1204-R1212 PolarHBondContact O-N 2.72Å; V1204-W1233 HydrophobicContact CB-CH2 4.3Å; V1204-W1233 HydrophobicContact CB-CZ3 4.48Å; V1204-W1233 HydrophobicContact CG2-CH2 4.02Å; V1204-W1233 HydrophobicContact CG2-CZ3 4.23Å
1205G94.2Very high84Confident0 Ų016.8 Ų16.80%09%0.091CC..EExtended strand (participates in β ladder)trans-111.2135.4174.700000111.7F1180 N1181 C1182 S1210F1180-G1205 CarbonylContact C-O 3.57Å; F1180-G1205 WeakPolarHBondContact CA-O 3.36Å; N1181-G1205 PolarHBondContact N-O 2.97Å; C1182-G1205 PolarHBondContact O-N 2.87Å; G1205-S1210 WeakPolarHBondContact CA-O 3.44Å
1206G92.3Very high85.6Confident0 Ų015.2 Ų15.20%08%0.081CC..EExtended strand (participates in β ladder)trans-111.4165.4-177.800000115.1A1179 D1208 G1209 S1210 V1244A1179-G1206 WeakPolarHBondContact O-CA 3.45Å; G1206-D1208 PolarHBondContact O-N 2.8Å; G1206-G1209 PolarHBondContact O-N 3.48Å; G1206-S1210 PolarHBondContact N-O 2.84Å; G1206-V1244 PolarHBondContact O-N 2.87Å
1207D89.9Confident86.9Confident75 Ų759 Ų940%0.4015%0.048SC..THydrogen-bonded Turntrans-63.6-24.5173.3-89.1-14.7000114.1A1179 N1181 G1209 S1243A1179-D1207 VanDerWaalsContact CB-OD2 3.24Å; A1179-D1207 WeakPolarHBondContact CB-OD2 3.27Å; A1179-D1207 PolarHBondContact O-N 2.81Å; A1179-D1207 VanDerWaalsContact O-N 3.08Å; N1181-D1207 PolarHBondContact ND2-OD1 2.98Å; N1181-D1207 PolarHBondContact OD1-OD1 2.86Å; D1207-G1209 PolarHBondContact O-N 3Å; D1207-S1243 WeakPolarHBondContact O-CA 3.32Å; D1207-S1243 WeakPolarHBondContact OD1-CB 3.2Å; D1207-S1243 PolarHBondContact OD1-OG 2.76Å
1208D87.1Confident87.8Confident10 Ų107.8 Ų7.85%0.0534%0.041CC..THydrogen-bonded Turntrans-77.86.8176.364-10.8000113.5F1172 L1178 G1206 S1210 R1212F1172-D1208 HydrophobicContact CD2-CB 4.15Å; F1172-D1208 WeakPolarHBondContact CE2-O 3.45Å; L1178-D1208 HydrophobicContact CD1-CB 3.56Å; G1206-D1208 PolarHBondContact O-N 2.8Å; D1208-S1210 VanDerWaalsContact CG-OG 3.24Å; D1208-S1210 PolarHBondContact O-N 3.38Å; D1208-S1210 WeakPolarHBondContact OD1-CB 3.34Å; D1208-S1210 PolarHBondContact OD1-N 3.25Å; D1208-S1210 PolarHBondContact OD1-OG 3.15Å; D1208-S1210 PolarHBondContact OD2-OG 2.86Å; D1208-R1212 IonicContact OD2-CZ 2.73Å; D1208-R1212 IonicContact OD2-NH2 3.73Å; D1208-R1212 PolarHBondContact OD2-NH2 2.84Å
1209G89.4Confident87.8Confident0 Ų08.2 Ų8.20%04%0.043CC..SBendtrans7410.6-175.600000113.8G1206 D1207 S1242G1206-G1209 PolarHBondContact O-N 3.48Å; D1207-G1209 PolarHBondContact O-N 3Å; G1209-S1242 WeakPolarHBondContact CA-O 3.44Å
1210S90.7Very high87.2Confident0 Ų010.4 Ų10.40%05%0.054CC..EExtended strand (participates in β ladder)trans-83143.8179.172.80000112.8G1205 G1206 D1208 R1212 C1237G1205-S1210 WeakPolarHBondContact CA-O 3.44Å; G1206-S1210 PolarHBondContact N-O 2.84Å; D1208-S1210 VanDerWaalsContact CG-OG 3.24Å; D1208-S1210 PolarHBondContact O-N 3.38Å; D1208-S1210 WeakPolarHBondContact OD1-CB 3.34Å; D1208-S1210 PolarHBondContact OD1-N 3.25Å; D1208-S1210 PolarHBondContact OD1-OG 3.15Å; D1208-S1210 PolarHBondContact OD2-OG 2.86Å; S1210-R1212 PolarHBondContact OG-NE 2.86Å; S1210-C1237 CarbonylContact C-O 3.49Å; S1210-C1237 WeakPolarHBondContact CA-O 3.33Å
1211I92.8Very high85.9Confident0 Ų018 Ų180%08%0.083CC..EExtended strand (participates in β ladder)trans-107.5129.1163-57.3-63.1000107.2V1203 V1204 S1236 C1237 V1244 I1247 F1263 W1275 L1287V1203-I1211 HydrophobicContact CG1-CG2 3.59Å; V1204-I1211 WeakPolarHBondContact O-CA 3.32Å; I1211-S1236 CarbonylContact O-C 3.56Å; I1211-S1236 VanDerWaalsContact O-CA 3.26Å; I1211-S1236 WeakPolarHBondContact O-CA 3.34Å; I1211-C1237 PolarHBondContact N-O 3.25Å; I1211-C1237 PolarHBondContact O-N 2.94Å; I1211-V1244 HydrophobicContact CD1-CB 4.44Å; I1211-V1244 HydrophobicContact CD1-CG1 3.8Å; I1211-V1244 HydrophobicContact CD1-CG2 3.95Å; I1211-I1247 HydrophobicContact CD1-CD1 3.71Å; I1211-I1247 HydrophobicContact CD1-CG1 4.21Å; I1211-F1263 HydrophobicContact CG2-CE2 3.94Å; I1211-F1263 HydrophobicContact CG2-CZ 3.99Å; I1211-W1275 HydrophobicContact CB-CZ2 4.49Å; I1211-W1275 HydrophobicContact CG1-CH2 4.25Å; I1211-W1275 HydrophobicContact CG1-CZ2 3.7Å; I1211-L1287 HydrophobicContact CG2-CD1 4.3Å; I1211-L1287 HydrophobicContact CG2-CD2 4.46Å
1212R91.1Very high84.2Confident3 Ų326.4 Ų26.41%0.01112%0.122CC..EExtended strand (participates in β ladder)trans-127.9144.4-177.4-53.1-176.1-170.9-1520.6110.2C1166 Q1167 V1203 V1204 D1208 S1210 W1233 A1235C1166-R1212 PolarHBondContact SG-NH1 2.66Å; Q1167-R1212 PolarHBondContact O-NH1 2.75Å; Q1167-R1212 PolarHBondContact O-NH2 2.92Å; Q1167-R1212 VanDerWaalsContact O-NH2 3.07Å; V1203-R1212 CarbonylContact C-O 3.41Å; V1203-R1212 WeakPolarHBondContact CA-O 3.5Å; V1204-R1212 PolarHBondContact N-O 3.11Å; V1204-R1212 PolarHBondContact O-N 2.72Å; D1208-R1212 IonicContact OD2-CZ 2.73Å; D1208-R1212 IonicContact OD2-NH2 3.73Å; D1208-R1212 PolarHBondContact OD2-NH2 2.84Å; S1210-R1212 PolarHBondContact OG-NE 2.86Å; R1212-W1233 HydrophobicContact CB-CE3 3.64Å; R1212-W1233 HydrophobicContact CB-CH2 4.13Å; R1212-W1233 HydrophobicContact CB-CZ3 3.38Å; R1212-A1235 CarbonylContact C-O 3.28Å; R1212-A1235 WeakPolarHBondContact CA-O 3.44Å
1213I90.7Very high81.8Confident0 Ų030.4 Ų30.40%015%0.15CC..EExtended strand (participates in β ladder)trans-123.6133.1-178.7-68.4-172.7000109.7I1201 I1202 V1203 W1233 S1234 A1235 L1277 F1285 L1287I1201-I1213 HydrophobicContact CG2-CG2 3.43Å; I1201-I1213 VanDerWaalsContact CG2-CG2 3.43Å; I1202-I1213 VanDerWaalsContact O-CA 3.31Å; I1202-I1213 WeakPolarHBondContact O-CA 3.46Å; V1203-I1213 HydrophobicContact CB-CG1 4.44Å; V1203-I1213 HydrophobicContact CG1-CG1 4.11Å; V1203-I1213 HydrophobicContact CG2-CD1 4.24Å; V1203-I1213 HydrophobicContact CG2-CG1 4.08Å; I1213-W1233 CarbonylContact O-C 3.52Å; I1213-W1233 WeakPolarHBondContact O-CA 3.36Å; I1213-S1234 PolarHBondContact O-N 3.38Å; I1213-A1235 HydrophobicContact CB-CB 4.29Å; I1213-A1235 PolarHBondContact N-O 3.16Å; I1213-A1235 PolarHBondContact O-N 2.99Å; I1213-L1277 HydrophobicContact CD1-CD1 3.21Å; I1213-L1277 HydrophobicContact CD1-CD2 3.93Å; I1213-L1277 HydrophobicContact CD1-CG 4.16Å; I1213-F1285 HydrophobicContact CG2-CD2 4.43Å; I1213-L1287 HydrophobicContact CD1-CD1 4.04Å; I1213-L1287 HydrophobicContact CD1-CD2 3.31Å; I1213-L1287 HydrophobicContact CD1-CG 3.69Å; I1213-L1287 HydrophobicContact CG1-CD1 4.08Å; I1213-L1287 HydrophobicContact CG1-CD2 4.12Å; I1213-L1287 HydrophobicContact CG1-CG 4.29Å
1214A88.9Confident79.3Confident0 Ų034.3 Ų34.30%018%0.177CC..EExtended strand (participates in β ladder)trans-127.4144.717300000110.8L1164 I1201 I1202 V1216 Q1232 W1233L1164-A1214 HydrophobicContact CD1-CB 3.46Å; L1164-A1214 VanDerWaalsContact CD1-CB 3.46Å; I1201-A1214 CarbonylContact C-O 3.56Å; I1201-A1214 WeakPolarHBondContact CA-O 3.26Å; I1202-A1214 PolarHBondContact N-O 3.15Å; I1202-A1214 PolarHBondContact O-N 3.39Å; A1214-V1216 HydrophobicContact CB-CG1 4.27Å; A1214-Q1232 VanDerWaalsContact CA-O 3.3Å; A1214-Q1232 WeakPolarHBondContact CA-O 3.49Å; A1214-Q1232 WeakPolarHBondContact CB-O 3.35Å; A1214-W1233 HydrophobicContact CB-CD2 4.38Å; A1214-W1233 HydrophobicContact CB-CE3 3.82Å; A1214-W1233 HydrophobicContact CB-CZ3 4.02Å
1215Q85.6Confident77Confident22 Ų2245 Ų4510%0.10322%0.224CC..EExtended strand (participates in β ladder)trans-93129.7166-174.8174.6-11.200108.6S1199 T1200 P1231 Q1232S1199-Q1215 PolarHBondContact OG-NE2 3.36Å; T1200-Q1215 WeakPolarHBondContact O-CA 3.19Å; Q1215-P1231 WeakPolarHBondContact O-CA 3.21Å; Q1215-Q1232 PolarHBondContact N-O 2.85Å; Q1215-Q1232 PolarHBondContact O-N 2.82Å
1216V86.7Confident74.5Confident1 Ų149.2 Ų49.21%0.00625%0.253CS..EExtended strand (participates in β ladder)trans-132.8149.7-174.5-54.30000111.6L1096 W1162 L1164 S1199 T1200 I1202 A1214 P1231L1096-V1216 HydrophobicContact CD1-CG2 4.38Å; W1162-V1216 HydrophobicContact CH2-CB 4.11Å; W1162-V1216 HydrophobicContact CH2-CG1 3.73Å; W1162-V1216 HydrophobicContact CH2-CG2 4.34Å; W1162-V1216 HydrophobicContact CZ2-CB 3.84Å; W1162-V1216 HydrophobicContact CZ2-CG1 4Å; W1162-V1216 HydrophobicContact CZ2-CG2 3.96Å; W1162-V1216 HydrophobicContact CZ3-CG1 4.01Å; L1164-V1216 HydrophobicContact CD1-CG1 4.31Å; S1199-V1216 CarbonylContact C-O 3.59Å; S1199-V1216 WeakPolarHBondContact CA-O 3.31Å; S1199-V1216 VanDerWaalsContact CB-O 3.23Å; S1199-V1216 WeakPolarHBondContact CB-O 3.43Å; T1200-V1216 HydrophobicContact CG2-CG2 3.62Å; T1200-V1216 PolarHBondContact N-O 2.9Å; T1200-V1216 PolarHBondContact O-N 2.81Å; I1202-V1216 HydrophobicContact CD1-CB 4.34Å; I1202-V1216 HydrophobicContact CD1-CG1 3.97Å; I1202-V1216 HydrophobicContact CD1-CG2 3.52Å; I1202-V1216 HydrophobicContact CG1-CG1 4.42Å; I1202-V1216 HydrophobicContact CG1-CG2 3.81Å; A1214-V1216 HydrophobicContact CB-CG1 4.27Å; V1216-P1231 HydrophobicContact CB-CB 4.4Å; V1216-P1231 HydrophobicContact CG1-CB 3.9Å
1217P83.4Confident72.4Confident3 Ų353.8 Ų53.82%0.01928%0.277CS..EExtended strand (participates in β ladder)trans-70.8144.8178.628.7-34.6000112.1Y1160Y1160-P1217 HydrophobicContact CE1-CG 4.05Å
1218L80Confident70.6Confident4 Ų453.1 Ų53.12%0.02128%0.276CS..SBendtrans-110.1-17.4174.3-79.1179.1000113.7L1096 Q1097 Q1102 E1189 I1198 T1200L1096-L1218 HydrophobicContact CB-CD2 3.91Å; Q1097-L1218 HydrophobicContact CB-CD2 3.8Å; Q1102-L1218 PolarHBondContact NE2-O 2.87Å; E1189-L1218 HydrophobicContact CG-CD1 4.23Å; I1198-L1218 HydrophobicContact CB-CB 4.44Å; I1198-L1218 HydrophobicContact CG2-CB 4.15Å; I1198-L1218 HydrophobicContact CG2-CD1 3.87Å; I1198-L1218 PolarHBondContact O-N 2.85Å; T1200-L1218 HydrophobicContact CG2-CD1 4.19Å; T1200-L1218 HydrophobicContact CG2-CD2 3.61Å; T1200-L1218 HydrophobicContact CG2-CG 3.81Å
1219N73.1Confident69.1Low51 Ų5154.9 Ų54.927%0.27329%0.287SS..  trans-149.5149.2-179.4-166.4-12.1000110.2Q1102Q1102-N1219 PolarHBondContact OE1-OD1 2.93Å
1220I64.5Low68.1Low46 Ų4663.9 Ų63.924%0.23632%0.322CS..  trans-122.6110.2175.8-60155.5000107.4I1118 Y1160 H1222I1118-I1220 HydrophobicContact CD1-CD1 4.09Å; I1118-I1220 HydrophobicContact CD1-CG1 4.23Å; Y1160-I1220 HydrophobicContact CD1-CD1 3.39Å; Y1160-I1220 HydrophobicContact CD1-CG1 4.34Å; Y1160-I1220 HydrophobicContact CD2-CD1 3.45Å; Y1160-I1220 VanDerWaalsContact CD2-CD1 3.45Å; Y1160-I1220 HydrophobicContact CE1-CD1 4.08Å; Y1160-I1220 HydrophobicContact CE2-CD1 4.15Å; Y1160-I1220 HydrophobicContact CG-CD1 3.01Å; Y1160-I1220 HydrophobicContact CG-CG1 4.25Å; I1220-H1222 PolarHBondContact O-N 3.08Å
1221R57.3Low67.5Low162 Ų16264.7 Ų64.761%0.61133%0.328SS*.  trans-79.9121.3164.8-71.9-172.4177-176.91.9107.8S1223R1221-S1223 PolarHBondContact O-N 2.97Å
1222H52.1Low67Low177 Ų17771.6 Ų71.682%0.81936%0.36SS*.SBendtrans-638.3175.4-78.1-71.7000115I1220I1220-H1222 PolarHBondContact O-N 3.08Å
1223S40Very low66.8Low85 Ų8573.8 Ų73.859%0.59437%0.368SS*.SBendtrans-102.5108.6179.460.60000111R1221R1221-S1223 PolarHBondContact O-N 2.97Å
1224S41.1Very low66.5Low81 Ų8175.1 Ų75.157%0.56638%0.377SS*.  trans91115.9178.180.30000116.1S1226S1224-S1226 PolarHBondContact O-N 2.83Å; S1224-S1226 VanDerWaalsContact O-N 3.1Å
1225K45.4Very low66.5Low225 Ų22576 Ų7698%0.97839%0.385SS*.THydrogen-bonded Turntrans-70.79.9176.4-84.7179.5172.1178.40113.7
1226S43.5Very low66.6Low88 Ų8878.2 Ų78.262%0.61540%0.403SS*.THydrogen-bonded Turntrans-113.5-15.4-163.150.20000117S1224S1224-S1226 PolarHBondContact O-N 2.83Å; S1224-S1226 VanDerWaalsContact O-N 3.1Å
1227D47Very low66.7Low96 Ų9679.4 Ų79.451%0.51341%0.411SS..  trans-137.253.4-174.1-66.4-51.4000114T1195T1195-D1227 HydrophobicContact CG2-CB 3.96Å
1228V52.6Low67Low62 Ų6281.3 Ų81.338%0.37642%0.422SS..  trans-84115168.8-177.20000108.5Y1160 Y1230Y1160-V1228 HydrophobicContact CE2-CG1 4.49Å; Y1160-V1228 VanDerWaalsContact OH-CG1 3.31Å; Y1160-V1228 WeakPolarHBondContact OH-CG1 3.33Å; V1228-Y1230 WeakPolarHBondContact O-CD2 3.17Å; V1228-Y1230 PolarHBondContact O-N 2.8Å
1229T56.5Low67.5Low46 Ų4686.8 Ų86.828%0.28244%0.443SS..  trans-66.4104.6172.939.70000109.4L1192L1192-T1229 HydrophobicContact CD1-CG2 3.83Å
1230Y66.8Low68.4Low189 Ų18984.5 Ų84.574%0.74143%0.43SS*.  trans-65.8137.6172.5-75.2-83.4000109.3V1228 Q1232V1228-Y1230 WeakPolarHBondContact O-CD2 3.17Å; V1228-Y1230 PolarHBondContact O-N 2.8Å; Y1230-Q1232 PolarHBondContact O-N 3.06Å
1231P78.9Confident69.6Low18 Ų1889.6 Ų89.612%0.11745%0.451CS..  trans-62.9136177.931.3-37.7000109.3W1162 L1164 Q1215 V1216W1162-P1231 HydrophobicContact CB-CG 4.07Å; W1162-P1231 HydrophobicContact CD2-CG 4.31Å; W1162-P1231 HydrophobicContact CE3-CB 4.25Å; W1162-P1231 HydrophobicContact CE3-CG 4.03Å; W1162-P1231 HydrophobicContact CG-CG 4.36Å; L1164-P1231 HydrophobicContact CD1-CB 3.69Å; L1164-P1231 HydrophobicContact CD1-CG 4.38Å; L1164-P1231 HydrophobicContact CD2-CB 4.21Å; L1164-P1231 HydrophobicContact CD2-CG 4.33Å; L1164-P1231 VanDerWaalsContact CD2-O 3.26Å; L1164-P1231 WeakPolarHBondContact CD2-O 3.15Å; L1164-P1231 HydrophobicContact CG-CB 3.77Å; L1164-P1231 HydrophobicContact CG-CG 3.91Å; Q1215-P1231 WeakPolarHBondContact O-CA 3.21Å; V1216-P1231 HydrophobicContact CB-CB 4.4Å; V1216-P1231 HydrophobicContact CG1-CB 3.9Å
1232Q82.2Confident71.2Confident144 Ų14484.1 Ų84.167%0.67344%0.438SS*.EExtended strand (participates in β ladder)trans-138.7143.9-179.6-171.7179.4-32.100110A1214 Q1215 Y1230 S1234A1214-Q1232 VanDerWaalsContact CA-O 3.3Å; A1214-Q1232 WeakPolarHBondContact CA-O 3.49Å; A1214-Q1232 WeakPolarHBondContact CB-O 3.35Å; Q1215-Q1232 PolarHBondContact N-O 2.85Å; Q1215-Q1232 PolarHBondContact O-N 2.82Å; Y1230-Q1232 PolarHBondContact O-N 3.06Å; Q1232-S1234 PolarHBondContact O-N 3.47Å
1233W86.7Confident73.1Confident49 Ų4976.7 Ų76.719%0.18641%0.406CS..EExtended strand (participates in β ladder)trans-68.1122.6169.2-63.6108.5000110.1L1114 L1164 N1165 C1166 F1180 V1204 R1212 I1213 A1214L1114-W1233 HydrophobicContact CD2-CH2 4.39Å; L1164-W1233 HydrophobicContact CB-CZ2 4.23Å; N1165-W1233 PolarHBondContact O-NE1 3.45Å; C1166-W1233 HydrophobicContact CB-CZ2 4.17Å; C1166-W1233 VanDerWaalsContact SG-CD1 3.59Å; C1166-W1233 PolarHBondContact SG-NE1 3.41Å; C1166-W1233 VanDerWaalsContact SG-NE1 3.37Å; F1180-W1233 AromaticContact CE2-CH2 3.9Å; F1180-W1233 HydrophobicContact CE2-CH2 3.9Å; F1180-W1233 AromaticContact CE2-CZ2 3.7Å; F1180-W1233 HydrophobicContact CE2-CZ2 3.7Å; F1180-W1233 AromaticContact CZ-CH2 3.92Å; F1180-W1233 HydrophobicContact CZ-CH2 3.92Å; F1180-W1233 AromaticContact CZ-CZ2 3.77Å; F1180-W1233 HydrophobicContact CZ-CZ2 3.77Å; V1204-W1233 HydrophobicContact CB-CH2 4.3Å; V1204-W1233 HydrophobicContact CB-CZ3 4.48Å; V1204-W1233 HydrophobicContact CG2-CH2 4.02Å; V1204-W1233 HydrophobicContact CG2-CZ3 4.23Å; R1212-W1233 HydrophobicContact CB-CE3 3.64Å; R1212-W1233 HydrophobicContact CB-CH2 4.13Å; R1212-W1233 HydrophobicContact CB-CZ3 3.38Å; I1213-W1233 CarbonylContact O-C 3.52Å; I1213-W1233 WeakPolarHBondContact O-CA 3.36Å; A1214-W1233 HydrophobicContact CB-CD2 4.38Å; A1214-W1233 HydrophobicContact CB-CE3 3.82Å; A1214-W1233 HydrophobicContact CB-CZ3 4.02Å
1234S85.3Confident75.7Confident28 Ų2872.7 Ų72.720%0.19638%0.377CS..EExtended strand (participates in β ladder)trans-100.6-30.1-179.3-560000113.2I1213 Q1232 C1283I1213-S1234 PolarHBondContact O-N 3.38Å; Q1232-S1234 PolarHBondContact O-N 3.47Å; S1234-C1283 WeakPolarHBondContact CB-O 3.07Å; S1234-C1283 PolarHBondContact OG-O 3.26Å; S1234-C1283 VanDerWaalsContact OG-O 3.12Å
1235A87.1Confident78.3Confident18 Ų1870.2 Ų70.215%0.14936%0.359CS..EExtended strand (participates in β ladder)trans-152151179.900000111.7R1212 I1213 F1285 L1287R1212-A1235 CarbonylContact C-O 3.28Å; R1212-A1235 WeakPolarHBondContact CA-O 3.44Å; I1213-A1235 HydrophobicContact CB-CB 4.29Å; I1213-A1235 PolarHBondContact N-O 3.16Å; I1213-A1235 PolarHBondContact O-N 2.99Å; A1235-F1285 WeakPolarHBondContact CB-O 3.48Å; A1235-L1287 HydrophobicContact CB-CD1 3.95Å; A1235-L1287 HydrophobicContact CB-CG 4.12Å
1236S88.9Confident80.7Confident70 Ų7062 Ų6249%0.4932%0.324SS..EExtended strand (participates in β ladder)trans-146.4149.7170.362.30000111.2I1211I1211-S1236 CarbonylContact O-C 3.56Å; I1211-S1236 VanDerWaalsContact O-CA 3.26Å; I1211-S1236 WeakPolarHBondContact O-CA 3.34Å
1237C89.2Confident83.2Confident25 Ų2558 Ų5817%0.16930%0.295CS..EExtended strand (participates in β ladder)trans-152.9134.1-179.7-169.80000110.7S1210 I1211 W1275 L1287S1210-C1237 CarbonylContact C-O 3.49Å; S1210-C1237 WeakPolarHBondContact CA-O 3.33Å; I1211-C1237 PolarHBondContact N-O 3.25Å; I1211-C1237 PolarHBondContact O-N 2.94Å; C1237-W1275 HydrophobicContact CB-CH2 4.2Å; C1237-W1275 HydrophobicContact CB-CZ3 4.05Å; C1237-L1287 HydrophobicContact CB-CB 4.17Å; C1237-L1287 HydrophobicContact CB-CD1 4.06Å
1238V89.4Confident85.3Confident43 Ų4354.1 Ų54.126%0.26128%0.276SS..EExtended strand (participates in β ladder)trans-106.9112.3175.1-175.80000108.8I1169I1169-V1238 HydrophobicContact CB-CG2 4.05Å; I1169-V1238 HydrophobicContact CD1-CG2 4.45Å; I1169-V1238 HydrophobicContact CG2-CG2 3.79Å
1239R90.3Very high87Confident120 Ų12053 Ų5345%0.45327%0.27SS..  trans-134.2-21.3179.2-70.7-67.6-176.3166.7-0.4114.2I1273 W1275 P1289R1239-I1273 HydrophobicContact CB-CD1 4.04Å; R1239-W1275 HydrophobicContact CB-CH2 3.68Å; R1239-W1275 HydrophobicContact CB-CZ2 3.98Å; R1239-W1275 HydrophobicContact CG-CH2 3.52Å; R1239-W1275 HydrophobicContact CG-CZ2 4.31Å; R1239-W1275 HydrophobicContact CG-CZ3 4.25Å; R1239-P1289 HydrophobicContact CG-CG 4.23Å
1240H91.5Very high88.2Confident3 Ų351.2 Ų51.21%0.01426%0.259CS..  trans-78.8150.2169.5-74.5-72000110.3S1242 V1244 S1265 A1267 D1269 R1271 I1273H1240-S1242 WeakPolarHBondContact CB-O 3.44Å; H1240-V1244 HydrophobicContact CB-CG2 4.33Å; H1240-S1265 PolarHBondContact NE2-OG 2.8Å; H1240-A1267 HydrophobicContact CB-CB 3.78Å; H1240-A1267 WeakPolarHBondContact ND1-CB 3.42Å; H1240-D1269 WeakPolarHBondContact CA-OD2 3.46Å; H1240-D1269 IonicContact CG-OD2 3.46Å; H1240-D1269 IonicContact ND1-OD1 2.75Å; H1240-D1269 PolarHBondContact ND1-OD1 2.58Å; H1240-D1269 IonicContact ND1-OD2 3.45Å; H1240-D1269 PolarHBondContact ND1-OD2 2.86Å; H1240-R1271 PolarHBondContact CE1-O 2.81Å; H1240-I1273 VanDerWaalsContact CE1-CD1 3.47Å; H1240-I1273 WeakPolarHBondContact CE1-CD1 3.44Å
1241F89.7Confident88.3Confident152 Ų15244.3 Ų44.367%0.66724%0.237SC*.SBendtrans-961.3177.1-62.2-32.3000113D1269 R1271F1241-D1269 HydrophobicContact CB-CB 4.2Å; F1241-D1269 PolarHBondContact N-OD2 3.23Å; F1241-R1271 VanDerWaalsContact CD2-CZ 3.41Å
1242S91.1Very high87.5Confident48 Ų4846.9 Ų46.934%0.33625%0.25SS..SBendtrans-150.9177.1177.6-166.60000109.5G1209 H1240 V1244 S1268G1209-S1242 WeakPolarHBondContact CA-O 3.44Å; H1240-S1242 WeakPolarHBondContact CB-O 3.44Å; S1242-V1244 PolarHBondContact O-N 2.95Å; S1242-S1268 WeakPolarHBondContact OG-CB 3.36Å
1243S92.6Very high86.5Confident21 Ų2141.6 Ų41.615%0.14723%0.226CC..  trans-51127.4-179.5175.20000112.3N1181 D1207 V1245 A1267 S1268N1181-S1243 PolarHBondContact ND2-OG 3.38Å; D1207-S1243 WeakPolarHBondContact O-CA 3.32Å; D1207-S1243 WeakPolarHBondContact OD1-CB 3.2Å; D1207-S1243 PolarHBondContact OD1-OG 2.76Å; S1243-V1245 PolarHBondContact O-N 2.8Å; S1243-A1267 VanDerWaalsContact O-CA 3.26Å; S1243-A1267 WeakPolarHBondContact O-CA 3.07Å; S1243-A1267 VanDerWaalsContact O-CB 3.22Å; S1243-A1267 WeakPolarHBondContact O-CB 3.15Å; S1243-S1268 PolarHBondContact O-N 3.45Å
1244V94.9Very high84.9Confident0 Ų044.7 Ų44.70%024%0.243CC..EExtended strand (participates in β ladder)trans-73.4121.7172.5-173.20000107.9N1181 G1206 I1211 H1240 S1242 I1247N1181-V1244 VanDerWaalsContact CB-O 3.26Å; N1181-V1244 WeakPolarHBondContact CB-O 3.42Å; N1181-V1244 PolarHBondContact ND2-O 3.34Å; N1181-V1244 VanDerWaalsContact ND2-O 3.12Å; G1206-V1244 PolarHBondContact O-N 2.87Å; I1211-V1244 HydrophobicContact CD1-CB 4.44Å; I1211-V1244 HydrophobicContact CD1-CG1 3.8Å; I1211-V1244 HydrophobicContact CD1-CG2 3.95Å; H1240-V1244 HydrophobicContact CB-CG2 4.33Å; S1242-V1244 PolarHBondContact O-N 2.95Å; V1244-I1247 HydrophobicContact CG1-CD1 4.33Å; V1244-I1247 HydrophobicContact CG1-CG1 4.04Å
1245V95Very high83.5Confident30 Ų3049.1 Ų49.118%0.18226%0.263CS..EExtended strand (participates in β ladder)trans-98.7-39.1-171.4-174.70000111.9C1182 S1243 L1266 S1268 H1302C1182-V1245 WeakPolarHBondContact CB-O 3.42Å; S1243-V1245 PolarHBondContact O-N 2.8Å; V1245-L1266 PolarHBondContact N-O 3.04Å; V1245-S1268 VanDerWaalsContact CG2-OG 3.24Å; V1245-S1268 WeakPolarHBondContact CG2-OG 3.34Å; V1245-H1302 VanDerWaalsContact CG1-O 3.27Å; V1245-H1302 WeakPolarHBondContact CG1-O 3.19Å
1246K95.7Very high81.9Confident53 Ų5350.4 Ų50.423%0.2327%0.27CS..EExtended strand (participates in β ladder)trans-150.2147.9178.4-15965.9177.5173.90112.2D1092 C1182 L1266 L1304D1092-K1246 IonicContact OD1-NZ 3.6Å; D1092-K1246 PolarHBondContact OD1-NZ 2.77Å; D1092-K1246 IonicContact OD2-NZ 3.86Å; D1092-K1246 PolarHBondContact OD2-NZ 3.21Å; C1182-K1246 HydrophobicContact CB-CD 4.24Å; K1246-L1266 HydrophobicContact CB-CD2 4.46Å; K1246-L1266 PolarHBondContact N-O 2.74Å; K1246-L1266 PolarHBondContact O-N 2.79Å; K1246-L1304 HydrophobicContact CB-CD2 4.01Å; K1246-L1304 HydrophobicContact CB-CG 4.34Å; K1246-L1304 HydrophobicContact CG-CD2 4.35Å; K1246-L1304 HydrophobicContact CG-CG 4.19Å
1247I95Very high80.1Confident3 Ų355.9 Ų55.92%0.01529%0.293CS..EExtended strand (participates in β ladder)trans-128.1136.5171.8-58.5166.8000108C1182 T1184 V1203 I1211 V1244 F1263 L1264C1182-I1247 VanDerWaalsContact SG-CG1 3.59Å; T1184-I1247 HydrophobicContact CG2-CB 4.07Å; T1184-I1247 HydrophobicContact CG2-CG2 3.43Å; T1184-I1247 VanDerWaalsContact CG2-CG2 3.43Å; V1203-I1247 HydrophobicContact CG1-CD1 4.08Å; V1203-I1247 HydrophobicContact CG1-CG2 4.4Å; I1211-I1247 HydrophobicContact CD1-CD1 3.71Å; I1211-I1247 HydrophobicContact CD1-CG1 4.21Å; V1244-I1247 HydrophobicContact CG1-CD1 4.33Å; V1244-I1247 HydrophobicContact CG1-CG1 4.04Å; I1247-F1263 HydrophobicContact CG2-CD2 3.64Å; I1247-F1263 HydrophobicContact CG2-CE2 4.26Å; I1247-F1263 HydrophobicContact CG2-CG 4.43Å; I1247-L1264 CarbonylContact C-O 3.6Å; I1247-L1264 VanDerWaalsContact CA-O 3.22Å; I1247-L1264 WeakPolarHBondContact CA-O 3.11Å; I1247-L1264 VanDerWaalsContact CG2-O 3.31Å; I1247-L1264 WeakPolarHBondContact CG2-O 3.48Å
1248A92.4Very high78.4Confident15 Ų1561.8 Ų61.812%0.12432%0.318CS..EExtended strand (participates in β ladder)trans-136.8151.7170.900000113.2F1263 L1264 L1304 V1306A1248-F1263 WeakPolarHBondContact O-CA 3.5Å; A1248-F1263 WeakPolarHBondContact O-CB 3.4Å; A1248-L1264 PolarHBondContact N-O 2.85Å; A1248-L1264 PolarHBondContact O-N 2.78Å; A1248-L1304 HydrophobicContact CB-CD1 3.22Å; A1248-L1304 HydrophobicContact CB-CG 4.2Å; A1248-V1306 HydrophobicContact CB-CG2 3.76Å
1249T87.3Confident76.8Confident39 Ų3962 Ų6224%0.23932%0.316CS..EExtended strand (participates in β ladder)trans-73.6141178.367.40000110.5T1184 P1251 Y1261T1184-T1249 HydrophobicContact CG2-CG2 4.4Å; T1184-T1249 VanDerWaalsContact OG1-CG2 3.29Å; T1184-T1249 WeakPolarHBondContact OG1-CG2 3.41Å; T1249-P1251 WeakPolarHBondContact O-CD 3.42Å; T1249-Y1261 WeakPolarHBondContact CA-OH 3.36Å; T1249-Y1261 WeakPolarHBondContact CB-OH 3.46Å; T1249-Y1261 HydrophobicContact CG2-CE2 4.37Å; T1249-Y1261 WeakPolarHBondContact CG2-OH 3.44Å
1250C82.5Confident75.5Confident7 Ų757.9 Ų57.95%0.04730%0.303CS..  trans-10097.2168.6-63.50000110.1L1253 Y1262 L1264C1250-L1253 HydrophobicContact CB-CD1 3.58Å; C1250-Y1262 PolarHBondContact N-O 3.26Å; C1250-L1264 VanDerWaalsContact SG-CD1 3.58Å
1251P68.2Low74.8Confident44 Ų4458.6 Ų58.629%0.28631%0.306SS..THydrogen-bonded Turntrans-63.5147.6178.822.6-30.2000112.3T1249 L1253 S1308T1249-P1251 WeakPolarHBondContact O-CD 3.42Å; P1251-L1253 VanDerWaalsContact C-N 3.33Å; P1251-L1253 PolarHBondContact O-N 2.87Å; P1251-S1308 WeakPolarHBondContact CG-OG 3.3Å; P1251-S1308 WeakPolarHBondContact O-CB 3.34Å
1252N62.8Low74.6Confident73 Ų7352.1 Ų52.139%0.3928%0.277SS..THydrogen-bonded Turntrans65.612.1168.9-50.8-24.7000118.1E1254 S1308 N1310 N1321N1252-E1254 PolarHBondContact O-N 2.88Å; N1252-S1308 PolarHBondContact ND2-OG 2.84Å; N1252-N1310 VanDerWaalsContact ND2-CG 3.32Å; N1252-N1310 PolarHBondContact ND2-ND2 2.94Å; N1252-N1310 VanDerWaalsContact ND2-ND2 3.14Å; N1252-N1310 PolarHBondContact ND2-OD1 3.32Å; N1252-N1321 HydrophobicContact CB-CB 4.39Å; N1252-N1321 PolarHBondContact O-ND2 2.82Å
1253L60.4Low74.6Confident33 Ų3349.9 Ų49.917%0.17326%0.261CS..SBendtrans-72.3120161.9-82.2153.2000108.5C1250 P1251 L1255 Y1262 V1337C1250-L1253 HydrophobicContact CB-CD1 3.58Å; P1251-L1253 VanDerWaalsContact C-N 3.33Å; P1251-L1253 PolarHBondContact O-N 2.87Å; L1253-L1255 PolarHBondContact O-N 2.83Å; L1253-Y1262 HydrophobicContact CB-CD2 3.67Å; L1253-Y1262 HydrophobicContact CB-CE2 4.24Å; L1253-Y1262 HydrophobicContact CB-CG 4.3Å; L1253-Y1262 HydrophobicContact CD1-CD2 4.43Å; L1253-Y1262 HydrophobicContact CD1-CG 4.22Å; L1253-V1337 HydrophobicContact CD1-CG1 4.4Å
1254E54.8Low74.6Confident114 Ų11448.9 Ų48.953%0.53325%0.254SS..  trans-46.9119.1-169.8-76.9-179.117100113.3M1 N1252 T1256M1-E1254 VanDerWaalsContact CE-OE2 3.26Å; M1-E1254 WeakPolarHBondContact CE-OE2 3.49Å; N1252-E1254 PolarHBondContact O-N 2.88Å; E1254-T1256 VanDerWaalsContact C-N 3.33Å; E1254-T1256 PolarHBondContact O-N 2.83Å
1255L54.8Low74.6Confident120 Ų12048.9 Ų48.963%0.62825%0.254SS*.  trans-68.887.9166-67.7160.2000108.2I1188 L1253 L1260I1188-L1255 HydrophobicContact CD1-CD2 4.35Å; L1253-L1255 PolarHBondContact O-N 2.83Å; L1255-L1260 WeakPolarHBondContact CD2-O 3.43Å
1256T53.5Low74.7Confident46 Ų4647.4 Ų47.428%0.28225%0.245SC..  trans-76.6152.2165.254.90000109.1E1254 E1258 F1259E1254-T1256 VanDerWaalsContact C-N 3.33Å; E1254-T1256 PolarHBondContact O-N 2.83Å; T1256-E1258 PolarHBondContact O-N 2.87Å; T1256-F1259 PolarHBondContact O-N 2.85Å; T1256-F1259 VanDerWaalsContact O-O 3.1Å; T1256-F1259 VanDerWaalsContact OG1-CD2 3.3Å; T1256-F1259 WeakPolarHBondContact OG1-CD2 2.83Å
1257N50.3Low74.7Confident184 Ų18444.9 Ų44.998%0.98423%0.234SC*.THydrogen-bonded Turntrans-51.1-18.1-178-71.2-8.8000115.9
1258E54.2Low74.6Confident149 Ų14946.5 Ų46.570%0.69625%0.246SC*.THydrogen-bonded Turntrans-92.8-21.2177.7-63.2-177.1164.500114.7T1256T1256-E1258 PolarHBondContact O-N 2.87Å
1259F55.3Low74.5Confident49 Ų4947.1 Ų47.122%0.21525%0.247CC..  trans-123.3114.1-169.6-66.4-65.2000110T1256 C1276 N1278T1256-F1259 PolarHBondContact O-N 2.85Å; T1256-F1259 VanDerWaalsContact O-O 3.1Å; T1256-F1259 VanDerWaalsContact OG1-CD2 3.3Å; T1256-F1259 WeakPolarHBondContact OG1-CD2 2.83Å; F1259-C1276 WeakPolarHBondContact CD1-SG 3.49Å; F1259-N1278 WeakPolarHBondContact CD1-OD1 3.32Å; F1259-N1278 WeakPolarHBondContact CE1-OD1 3.23Å
1260L63.8Low74.7Confident32 Ų3248.5 Ų48.517%0.16825%0.251CS..  trans-76.6-35.7-176.5-81.7168.5000112.8I1188 L1255 L1277 K1279 F1285I1188-L1260 WeakPolarHBondContact CD1-O 3.28Å; L1255-L1260 WeakPolarHBondContact CD2-O 3.43Å; L1260-L1277 WeakPolarHBondContact CB-O 2.98Å; L1260-L1277 PolarHBondContact N-O 3.28Å; L1260-K1279 HydrophobicContact CD1-CB 3.34Å; L1260-K1279 HydrophobicContact CD1-CD 4.07Å; L1260-K1279 HydrophobicContact CD1-CG 3.76Å; L1260-K1279 HydrophobicContact CD2-CB 4.37Å; L1260-K1279 HydrophobicContact CD2-CD 4.3Å; L1260-K1279 HydrophobicContact CG-CB 3.77Å; L1260-K1279 HydrophobicContact CG-CG 4.49Å; L1260-F1285 HydrophobicContact CD1-CD1 3.51Å; L1260-F1285 HydrophobicContact CD1-CE1 3.41Å; L1260-F1285 VanDerWaalsContact CD1-CE1 3.41Å
1261Y77.3Confident75.2Confident19 Ų1951.6 Ų51.68%0.07526%0.261CS..EExtended strand (participates in β ladder)trans-171.6148.1-165.6176.4-114.7000114.1P1186 I1188 T1249 F1263 L1277P1186-Y1261 HydrophobicContact CB-CD1 4.24Å; P1186-Y1261 HydrophobicContact CB-CD2 3.63Å; P1186-Y1261 HydrophobicContact CB-CE1 4.12Å; P1186-Y1261 HydrophobicContact CB-CE2 3.53Å; P1186-Y1261 HydrophobicContact CB-CG 3.98Å; P1186-Y1261 HydrophobicContact CG-CD1 4.27Å; P1186-Y1261 HydrophobicContact CG-CE1 4.17Å; P1186-Y1261 HydrophobicContact CG-CE2 4.44Å; P1186-Y1261 HydrophobicContact CG-CG 4.41Å; I1188-Y1261 HydrophobicContact CD1-CD2 4.31Å; I1188-Y1261 HydrophobicContact CD1-CG 4.45Å; T1249-Y1261 WeakPolarHBondContact CA-OH 3.36Å; T1249-Y1261 WeakPolarHBondContact CB-OH 3.46Å; T1249-Y1261 HydrophobicContact CG2-CE2 4.37Å; T1249-Y1261 WeakPolarHBondContact CG2-OH 3.44Å; Y1261-F1263 HydrophobicContact CD1-CB 4.35Å; Y1261-F1263 AromaticContact CD1-CD1 3.59Å; Y1261-F1263 HydrophobicContact CD1-CD1 3.59Å; Y1261-F1263 HydrophobicContact CD1-CE1 4.4Å; Y1261-F1263 HydrophobicContact CD1-CG 4.39Å; Y1261-F1263 HydrophobicContact CE1-CB 3.5Å; Y1261-F1263 VanDerWaalsContact CE1-CB 3.5Å; Y1261-F1263 AromaticContact CE1-CD1 3.41Å; Y1261-F1263 HydrophobicContact CE1-CD1 3.41Å; Y1261-F1263 VanDerWaalsContact CE1-CD1 3.41Å; Y1261-F1263 HydrophobicContact CE1-CE1 4.43Å; Y1261-F1263 AromaticContact CE1-CG 3.8Å; Y1261-F1263 HydrophobicContact CE1-CG 3.8Å; Y1261-L1277 HydrophobicContact CD1-CB 4.44Å; Y1261-L1277 HydrophobicContact CD1-CD2 4.47Å; Y1261-L1277 PolarHBondContact N-O 2.97Å; Y1261-L1277 PolarHBondContact O-N 3.06Å
1262Y85Confident76.4Confident16 Ų1649.5 Ų49.56%0.06325%0.248CC..EExtended strand (participates in β ladder)trans-118.9135.7173.7-66.5-85000111.3C1250 L1253 W1275 C1276C1250-Y1262 PolarHBondContact N-O 3.26Å; L1253-Y1262 HydrophobicContact CB-CD2 3.67Å; L1253-Y1262 HydrophobicContact CB-CE2 4.24Å; L1253-Y1262 HydrophobicContact CB-CG 4.3Å; L1253-Y1262 HydrophobicContact CD1-CD2 4.43Å; L1253-Y1262 HydrophobicContact CD1-CG 4.22Å; Y1262-W1275 WeakPolarHBondContact CA-O 3.32Å; Y1262-C1276 HydrophobicContact CD1-CB 4.14Å; Y1262-C1276 HydrophobicContact CE1-CB 3.88Å; Y1262-C1276 VanDerWaalsContact CE1-SG 3.5Å
1263F90.7Very high77.9Confident0 Ų046 Ų460%023%0.229CC..EExtended strand (participates in β ladder)trans-146.6163174.764.6-86.3000111.8V1203 I1211 I1247 A1248 Y1261 W1275 L1287V1203-F1263 HydrophobicContact CG1-CD2 4.38Å; V1203-F1263 HydrophobicContact CG1-CE2 3.83Å; V1203-F1263 HydrophobicContact CG1-CZ 3.89Å; V1203-F1263 HydrophobicContact CG2-CE1 4.49Å; I1211-F1263 HydrophobicContact CG2-CE2 3.94Å; I1211-F1263 HydrophobicContact CG2-CZ 3.99Å; I1247-F1263 HydrophobicContact CG2-CD2 3.64Å; I1247-F1263 HydrophobicContact CG2-CE2 4.26Å; I1247-F1263 HydrophobicContact CG2-CG 4.43Å; A1248-F1263 WeakPolarHBondContact O-CA 3.5Å; A1248-F1263 WeakPolarHBondContact O-CB 3.4Å; Y1261-F1263 HydrophobicContact CD1-CB 4.35Å; Y1261-F1263 AromaticContact CD1-CD1 3.59Å; Y1261-F1263 HydrophobicContact CD1-CD1 3.59Å; Y1261-F1263 HydrophobicContact CD1-CE1 4.4Å; Y1261-F1263 HydrophobicContact CD1-CG 4.39Å; Y1261-F1263 HydrophobicContact CE1-CB 3.5Å; Y1261-F1263 VanDerWaalsContact CE1-CB 3.5Å; Y1261-F1263 AromaticContact CE1-CD1 3.41Å; Y1261-F1263 HydrophobicContact CE1-CD1 3.41Å; Y1261-F1263 VanDerWaalsContact CE1-CD1 3.41Å; Y1261-F1263 HydrophobicContact CE1-CE1 4.43Å; Y1261-F1263 AromaticContact CE1-CG 3.8Å; Y1261-F1263 HydrophobicContact CE1-CG 3.8Å; F1263-W1275 HydrophobicContact CD1-CB 3.89Å; F1263-W1275 HydrophobicContact CD2-CB 3.9Å; F1263-W1275 AromaticContact CD2-CD1 3.81Å; F1263-W1275 HydrophobicContact CD2-CG 4.05Å; F1263-W1275 HydrophobicContact CE1-CB 3.51Å; F1263-W1275 HydrophobicContact CE1-CG 4.28Å; F1263-W1275 HydrophobicContact CE2-CB 3.51Å; F1263-W1275 AromaticContact CE2-CD1 3.42Å; F1263-W1275 VanDerWaalsContact CE2-CD1 3.42Å; F1263-W1275 HydrophobicContact CE2-CD2 4.22Å; F1263-W1275 AromaticContact CE2-CG 3.43Å; F1263-W1275 HydrophobicContact CE2-CG 3.43Å; F1263-W1275 VanDerWaalsContact CE2-CG 3.43Å; F1263-W1275 HydrophobicContact CG-CB 4.1Å; F1263-W1275 HydrophobicContact CZ-CB 3.31Å; F1263-W1275 HydrophobicContact CZ-CD2 4.21Å; F1263-W1275 AromaticContact CZ-CG 3.58Å; F1263-W1275 HydrophobicContact CZ-CG 3.58Å; F1263-W1275 PolarHBondContact N-O 2.63Å; F1263-W1275 PolarHBondContact O-N 2.71Å; F1263-L1287 HydrophobicContact CE1-CD2 3.92Å; F1263-L1287 HydrophobicContact CZ-CD2 3.58Å
1264L93.3Very high79.4Confident0 Ų044.4 Ų44.40%022%0.221CC..EExtended strand (participates in β ladder)trans-113.8137.5179.1-71.2163.6000109.9I1247 A1248 C1250 L1272 I1273 L1274 V1306 V1325 V1337I1247-L1264 CarbonylContact C-O 3.6Å; I1247-L1264 VanDerWaalsContact CA-O 3.22Å; I1247-L1264 WeakPolarHBondContact CA-O 3.11Å; I1247-L1264 VanDerWaalsContact CG2-O 3.31Å; I1247-L1264 WeakPolarHBondContact CG2-O 3.48Å; A1248-L1264 PolarHBondContact N-O 2.85Å; A1248-L1264 PolarHBondContact O-N 2.78Å; C1250-L1264 VanDerWaalsContact SG-CD1 3.58Å; L1264-L1272 HydrophobicContact CB-CD1 4Å; L1264-L1272 HydrophobicContact CD2-CD1 4.04Å; L1264-L1272 HydrophobicContact CD2-CD2 4.15Å; L1264-L1272 HydrophobicContact CD2-CG 3.95Å; L1264-L1272 HydrophobicContact CG-CD1 4.43Å; L1264-I1273 VanDerWaalsContact CA-O 3.31Å; L1264-I1273 WeakPolarHBondContact CA-O 3.25Å; L1264-L1274 HydrophobicContact CD2-CB 3.91Å; L1264-L1274 HydrophobicContact CD2-CD1 3.81Å; L1264-L1274 HydrophobicContact CD2-CG 4.48Å; L1264-L1274 HydrophobicContact CG-CD1 4.2Å; L1264-V1306 HydrophobicContact CD1-CG2 4.29Å; L1264-V1325 HydrophobicContact CD1-CB 4.2Å; L1264-V1325 HydrophobicContact CD1-CG1 3.86Å; L1264-V1325 HydrophobicContact CD1-CG2 3.28Å; L1264-V1337 HydrophobicContact CD1-CG2 4.48Å
1265S95.3Very high81.1Confident0 Ų039 Ų390%020%0.195CC..EExtended strand (participates in β ladder)trans-115.5143166.667.60000110.9H1240 L1272 I1273 W1275H1240-S1265 PolarHBondContact NE2-OG 2.8Å; S1265-L1272 WeakPolarHBondContact O-CA 3.44Å; S1265-I1273 PolarHBondContact N-O 3.01Å; S1265-I1273 PolarHBondContact O-N 3.07Å; S1265-W1275 PolarHBondContact OG-NE1 3.22Å
1266L96Very high82.6Confident0 Ų033.3 Ų33.30%017%0.166CC..EExtended strand (participates in β ladder)trans-123.8134.5179.4177.268.2000108.9V1245 K1246 L1295 P1301 L1304 V1327V1245-L1266 PolarHBondContact N-O 3.04Å; K1246-L1266 HydrophobicContact CB-CD2 4.46Å; K1246-L1266 PolarHBondContact N-O 2.74Å; K1246-L1266 PolarHBondContact O-N 2.79Å; L1266-L1295 HydrophobicContact CD1-CD1 3.24Å; L1266-P1301 HydrophobicContact CD1-CB 3.71Å; L1266-P1301 HydrophobicContact CD1-CG 3.75Å; L1266-P1301 HydrophobicContact CD2-CB 3.98Å; L1266-P1301 HydrophobicContact CG-CB 3.98Å; L1266-P1301 HydrophobicContact CG-CG 4.04Å; L1266-L1304 HydrophobicContact CB-CD2 3.39Å; L1266-L1304 HydrophobicContact CD2-CB 4.16Å; L1266-L1304 HydrophobicContact CD2-CD2 3.92Å; L1266-L1304 HydrophobicContact CG-CD2 4.3Å; L1266-V1327 HydrophobicContact CD1-CG1 3.81Å; L1266-V1327 HydrophobicContact CD2-CG1 3.86Å; L1266-V1327 HydrophobicContact CG-CG1 4.49Å
1267A95.4Very high84.1Confident0 Ų031.1 Ų31.10%015%0.152CC..EExtended strand (participates in β ladder)trans-135.3164.7179.100000112.6H1240 S1243 D1269 Q1270 R1271 P1301H1240-A1267 HydrophobicContact CB-CB 3.78Å; H1240-A1267 WeakPolarHBondContact ND1-CB 3.42Å; S1243-A1267 VanDerWaalsContact O-CA 3.26Å; S1243-A1267 WeakPolarHBondContact O-CA 3.07Å; S1243-A1267 VanDerWaalsContact O-CB 3.22Å; S1243-A1267 WeakPolarHBondContact O-CB 3.15Å; A1267-D1269 WeakPolarHBondContact CB-OD1 3.5Å; A1267-D1269 PolarHBondContact O-N 3.07Å; A1267-Q1270 PolarHBondContact O-N 3.03Å; A1267-Q1270 VanDerWaalsContact O-N 3.08Å; A1267-R1271 PolarHBondContact N-O 2.8Å; A1267-P1301 WeakPolarHBondContact O-CG 3.2Å
1268S93.2Very high85.6Confident37 Ų3723.6 Ų23.626%0.25911%0.112SC..THydrogen-bonded Turntrans-64.6-9179.6-57.90000113.5S1242 S1243 V1245 Q1270S1242-S1268 WeakPolarHBondContact OG-CB 3.36Å; S1243-S1268 PolarHBondContact O-N 3.45Å; V1245-S1268 VanDerWaalsContact CG2-OG 3.24Å; V1245-S1268 WeakPolarHBondContact CG2-OG 3.34Å; S1268-Q1270 PolarHBondContact O-N 2.71Å
1269D91.4Very high86.7Confident27 Ų2721 Ų2114%0.14410%0.098CC..THydrogen-bonded Turntrans-77.99171.369.20.6000113.6H1240 F1241 A1267 R1271H1240-D1269 WeakPolarHBondContact CA-OD2 3.46Å; H1240-D1269 IonicContact CG-OD2 3.46Å; H1240-D1269 IonicContact ND1-OD1 2.75Å; H1240-D1269 PolarHBondContact ND1-OD1 2.58Å; H1240-D1269 IonicContact ND1-OD2 3.45Å; H1240-D1269 PolarHBondContact ND1-OD2 2.86Å; F1241-D1269 HydrophobicContact CB-CB 4.2Å; F1241-D1269 PolarHBondContact N-OD2 3.23Å; A1267-D1269 WeakPolarHBondContact CB-OD1 3.5Å; A1267-D1269 PolarHBondContact O-N 3.07Å; D1269-R1271 PolarHBondContact O-N 2.85Å; D1269-R1271 VanDerWaalsContact OD1-CB 3.23Å; D1269-R1271 WeakPolarHBondContact OD1-CB 3.24Å; D1269-R1271 WeakPolarHBondContact OD1-CG 3.41Å; D1269-R1271 PolarHBondContact OD1-N 2.93Å; D1269-R1271 WeakPolarHBondContact OD2-CD 3.18Å
1270Q91Very high87.8Confident69 Ų6924 Ų2432%0.32212%0.115SC..THydrogen-bonded Turntrans64.923.3-179.3-52.5175.57.500113.5A1267 S1268 L1294 L1295 G1299A1267-Q1270 PolarHBondContact O-N 3.03Å; A1267-Q1270 VanDerWaalsContact O-N 3.08Å; S1268-Q1270 PolarHBondContact O-N 2.71Å; Q1270-L1294 HydrophobicContact CB-CD1 4.31Å; Q1270-L1295 WeakPolarHBondContact O-CB 3.21Å; Q1270-L1295 PolarHBondContact O-N 3.2Å; Q1270-G1299 WeakPolarHBondContact CG-O 3.5Å
1271R92Very high88.2Confident71 Ų7124.3 Ų24.327%0.26812%0.121SC..EExtended strand (participates in β ladder)trans-106.7138.9178.9-59.5178.3177.3-178.3-5.5112H1240 F1241 A1267 D1269 F1293 L1294H1240-R1271 PolarHBondContact CE1-O 2.81Å; F1241-R1271 VanDerWaalsContact CD2-CZ 3.41Å; A1267-R1271 PolarHBondContact N-O 2.8Å; D1269-R1271 PolarHBondContact O-N 2.85Å; D1269-R1271 VanDerWaalsContact OD1-CB 3.23Å; D1269-R1271 WeakPolarHBondContact OD1-CB 3.24Å; D1269-R1271 WeakPolarHBondContact OD1-CG 3.41Å; D1269-R1271 PolarHBondContact OD1-N 2.93Å; D1269-R1271 WeakPolarHBondContact OD2-CD 3.18Å; R1271-F1293 WeakPolarHBondContact CA-O 3.26Å; R1271-L1294 HydrophobicContact CG-CD1 4.27Å
1272L94Very high87.7Confident0 Ų026.7 Ų26.70%014%0.14CC..EExtended strand (participates in β ladder)trans-106.4123.2163.5-177.972.6000108.2L1264 S1265 F1293 L1295 L1304 I1335L1264-L1272 HydrophobicContact CB-CD1 4Å; L1264-L1272 HydrophobicContact CD2-CD1 4.04Å; L1264-L1272 HydrophobicContact CD2-CD2 4.15Å; L1264-L1272 HydrophobicContact CD2-CG 3.95Å; L1264-L1272 HydrophobicContact CG-CD1 4.43Å; S1265-L1272 WeakPolarHBondContact O-CA 3.44Å; L1272-F1293 HydrophobicContact CB-CB 4.28Å; L1272-F1293 PolarHBondContact N-O 3.25Å; L1272-F1293 PolarHBondContact O-N 3.18Å; L1272-L1295 HydrophobicContact CB-CD1 4.33Å; L1272-L1295 HydrophobicContact CB-CD2 4.5Å; L1272-L1295 HydrophobicContact CB-CG 4.43Å; L1272-L1304 HydrophobicContact CD1-CD2 4.44Å; L1272-I1335 HydrophobicContact CD2-CD1 3.65Å
1273I93.8Very high86.8Confident0 Ų028.8 Ų28.80%016%0.156CC..EExtended strand (participates in β ladder)trans-115.1127.2178.7-55.3179.5000109.2R1239 H1240 L1264 S1265 W1275 P1289 K1291 Y1292R1239-I1273 HydrophobicContact CB-CD1 4.04Å; H1240-I1273 VanDerWaalsContact CE1-CD1 3.47Å; H1240-I1273 WeakPolarHBondContact CE1-CD1 3.44Å; L1264-I1273 VanDerWaalsContact CA-O 3.31Å; L1264-I1273 WeakPolarHBondContact CA-O 3.25Å; S1265-I1273 PolarHBondContact N-O 3.01Å; S1265-I1273 PolarHBondContact O-N 3.07Å; I1273-W1275 HydrophobicContact CB-CZ2 4.4Å; I1273-W1275 HydrophobicContact CD1-CZ2 4.22Å; I1273-W1275 HydrophobicContact CG2-CD2 4.1Å; I1273-W1275 HydrophobicContact CG2-CG 4.35Å; I1273-W1275 HydrophobicContact CG2-CZ2 3.91Å; I1273-W1275 VanDerWaalsContact O-CD1 3.26Å; I1273-P1289 HydrophobicContact CG2-CB 3.91Å; I1273-K1291 WeakPolarHBondContact CA-O 3.5Å; I1273-Y1292 HydrophobicContact CD1-CD1 3.68Å; I1273-Y1292 HydrophobicContact CD1-CE1 3.7Å; I1273-Y1292 HydrophobicContact CG1-CD1 3.67Å; I1273-Y1292 HydrophobicContact CG1-CE1 4.13Å; I1273-Y1292 HydrophobicContact CG2-CD1 4.28Å; I1273-Y1292 HydrophobicContact CG2-CE1 4.23Å
1274L91.9Very high86Confident0 Ų032.8 Ų32.80%018%0.178CC..EExtended strand (participates in β ladder)trans-87.9122.7168.5179.968.3000109.2C3 L6 L1264 M1290 K1291 V1337C3-L1274 HydrophobicContact CB-CD2 3.93Å; C3-L1274 WeakPolarHBondContact SG-CD2 2.93Å; L6-L1274 HydrophobicContact CD1-CB 4.45Å; L1264-L1274 HydrophobicContact CD2-CB 3.91Å; L1264-L1274 HydrophobicContact CD2-CD1 3.81Å; L1264-L1274 HydrophobicContact CD2-CG 4.48Å; L1264-L1274 HydrophobicContact CG-CD1 4.2Å; L1274-M1290 HydrophobicContact CD2-CB 4.37Å; L1274-M1290 HydrophobicContact CG-CB 4.37Å; L1274-M1290 WeakPolarHBondContact O-CB 2.94Å; L1274-M1290 PolarHBondContact O-N 3.15Å; L1274-K1291 HydrophobicContact CB-CB 4.45Å; L1274-K1291 PolarHBondContact N-O 3.29Å; L1274-K1291 PolarHBondContact O-N 3.31Å; L1274-V1337 HydrophobicContact CD2-CG1 4.21Å
1275W90.2Very high85.5Confident0 Ų033.3 Ų33.30%018%0.18CC..EExtended strand (participates in β ladder)trans-107.5148.5179.4-61.586.4000110.9I1211 C1237 R1239 Y1262 F1263 S1265 I1273 L1287 P1289I1211-W1275 HydrophobicContact CB-CZ2 4.49Å; I1211-W1275 HydrophobicContact CG1-CH2 4.25Å; I1211-W1275 HydrophobicContact CG1-CZ2 3.7Å; C1237-W1275 HydrophobicContact CB-CH2 4.2Å; C1237-W1275 HydrophobicContact CB-CZ3 4.05Å; R1239-W1275 HydrophobicContact CB-CH2 3.68Å; R1239-W1275 HydrophobicContact CB-CZ2 3.98Å; R1239-W1275 HydrophobicContact CG-CH2 3.52Å; R1239-W1275 HydrophobicContact CG-CZ2 4.31Å; R1239-W1275 HydrophobicContact CG-CZ3 4.25Å; Y1262-W1275 WeakPolarHBondContact CA-O 3.32Å; F1263-W1275 HydrophobicContact CD1-CB 3.89Å; F1263-W1275 HydrophobicContact CD2-CB 3.9Å; F1263-W1275 AromaticContact CD2-CD1 3.81Å; F1263-W1275 HydrophobicContact CD2-CG 4.05Å; F1263-W1275 HydrophobicContact CE1-CB 3.51Å; F1263-W1275 HydrophobicContact CE1-CG 4.28Å; F1263-W1275 HydrophobicContact CE2-CB 3.51Å; F1263-W1275 AromaticContact CE2-CD1 3.42Å; F1263-W1275 VanDerWaalsContact CE2-CD1 3.42Å; F1263-W1275 HydrophobicContact CE2-CD2 4.22Å; F1263-W1275 AromaticContact CE2-CG 3.43Å; F1263-W1275 HydrophobicContact CE2-CG 3.43Å; F1263-W1275 VanDerWaalsContact CE2-CG 3.43Å; F1263-W1275 HydrophobicContact CG-CB 4.1Å; F1263-W1275 HydrophobicContact CZ-CB 3.31Å; F1263-W1275 HydrophobicContact CZ-CD2 4.21Å; F1263-W1275 AromaticContact CZ-CG 3.58Å; F1263-W1275 HydrophobicContact CZ-CG 3.58Å; F1263-W1275 PolarHBondContact N-O 2.63Å; F1263-W1275 PolarHBondContact O-N 2.71Å; S1265-W1275 PolarHBondContact OG-NE1 3.22Å; I1273-W1275 HydrophobicContact CB-CZ2 4.4Å; I1273-W1275 HydrophobicContact CD1-CZ2 4.22Å; I1273-W1275 HydrophobicContact CG2-CD2 4.1Å; I1273-W1275 HydrophobicContact CG2-CG 4.35Å; I1273-W1275 HydrophobicContact CG2-CZ2 3.91Å; I1273-W1275 VanDerWaalsContact O-CD1 3.26Å; W1275-L1287 HydrophobicContact CE3-CB 4.47Å; W1275-L1287 HydrophobicContact CE3-CD2 4.32Å; W1275-L1287 HydrophobicContact CZ3-CB 4.45Å; W1275-P1289 HydrophobicContact CD2-CB 4.4Å; W1275-P1289 HydrophobicContact CE3-CB 3.95Å; W1275-P1289 HydrophobicContact CH2-CB 4.22Å; W1275-P1289 HydrophobicContact CZ3-CB 3.85Å; W1275-P1289 HydrophobicContact CZ3-CG 4.12Å
1276C86.8Confident85.1Confident0 Ų037.5 Ų37.50%020%0.199CC..EExtended strand (participates in β ladder)trans-119.5131.7167.2-164.30000109.3F1259 Y1262 N1288 M1290F1259-C1276 WeakPolarHBondContact CD1-SG 3.49Å; Y1262-C1276 HydrophobicContact CD1-CB 4.14Å; Y1262-C1276 HydrophobicContact CE1-CB 3.88Å; Y1262-C1276 VanDerWaalsContact CE1-SG 3.5Å; C1276-N1288 PolarHBondContact N-O 2.91Å; C1276-N1288 PolarHBondContact O-N 3.43Å; C1276-M1290 HydrophobicContact CB-CG 3.63Å; C1276-M1290 HydrophobicContact CB-SD 3.94Å
1277L85.3Confident84.6Confident0 Ų038.2 Ų38.20%020%0.203CC..EExtended strand (participates in β ladder)trans-101.6121.2175.2-172.862.4000109.4I1201 I1213 L1260 Y1261 F1285 L1287I1201-L1277 HydrophobicContact CD1-CD2 3.97Å; I1201-L1277 HydrophobicContact CG2-CD2 4.09Å; I1213-L1277 HydrophobicContact CD1-CD1 3.21Å; I1213-L1277 HydrophobicContact CD1-CD2 3.93Å; I1213-L1277 HydrophobicContact CD1-CG 4.16Å; L1260-L1277 WeakPolarHBondContact CB-O 2.98Å; L1260-L1277 PolarHBondContact N-O 3.28Å; Y1261-L1277 HydrophobicContact CD1-CB 4.44Å; Y1261-L1277 HydrophobicContact CD1-CD2 4.47Å; Y1261-L1277 PolarHBondContact N-O 2.97Å; Y1261-L1277 PolarHBondContact O-N 3.06Å; L1277-F1285 HydrophobicContact CD1-CB 3.63Å; L1277-F1285 HydrophobicContact CD1-CD1 4.37Å; L1277-F1285 HydrophobicContact CD1-CG 4.28Å; L1277-F1285 HydrophobicContact CD2-CD1 4.2Å; L1277-F1285 HydrophobicContact CG-CB 4.35Å; L1277-F1285 HydrophobicContact CG-CD1 4.2Å; L1277-L1287 HydrophobicContact CD1-CD2 4.15Å; L1277-L1287 HydrophobicContact CD1-CG 4.42Å
1278N81.5Confident84.3Confident26 Ų2640.4 Ų40.414%0.13922%0.215CC..EExtended strand (participates in β ladder)trans-107.8142.3176.9-56.84.7000109.6F1259 F1285 Q1286 N1288F1259-N1278 WeakPolarHBondContact CD1-OD1 3.32Å; F1259-N1278 WeakPolarHBondContact CE1-OD1 3.23Å; N1278-F1285 CarbonylContact O-C 3.57Å; N1278-F1285 WeakPolarHBondContact O-CA 3.41Å; N1278-Q1286 HydrophobicContact CB-CB 4.18Å; N1278-Q1286 PolarHBondContact N-O 2.83Å; N1278-Q1286 PolarHBondContact O-N 2.81Å; N1278-N1288 PolarHBondContact ND2-ND2 2.84Å; N1278-N1288 VanDerWaalsContact ND2-ND2 3.18Å
1279K76.6Confident84.1Confident95 Ų9540 Ų4041%0.41321%0.212SC..EExtended strand (participates in β ladder)trans-83.2124.1169.6-151.8167.9178.5174.40108.6L1260 S1281 F1285L1260-K1279 HydrophobicContact CD1-CB 3.34Å; L1260-K1279 HydrophobicContact CD1-CD 4.07Å; L1260-K1279 HydrophobicContact CD1-CG 3.76Å; L1260-K1279 HydrophobicContact CD2-CB 4.37Å; L1260-K1279 HydrophobicContact CD2-CD 4.3Å; L1260-K1279 HydrophobicContact CG-CB 3.77Å; L1260-K1279 HydrophobicContact CG-CG 4.49Å; K1279-S1281 WeakPolarHBondContact CE-O 3.38Å; K1279-S1281 WeakPolarHBondContact CG-O 3.46Å; K1279-F1285 HydrophobicContact CG-CE1 4.3Å
1280I79.1Confident83.8Confident111 Ų11142 Ų4257%0.56922%0.221SC*.  trans-95.7-48.9169.5-61.8168.4000109.3D1284 Q1286I1280-D1284 HydrophobicContact CB-CB 4.21Å; I1280-D1284 PolarHBondContact N-O 2.92Å; I1280-Q1286 HydrophobicContact CD1-CB 3.75Å; I1280-Q1286 HydrophobicContact CD1-CG 4.29Å; I1280-Q1286 HydrophobicContact CG1-CB 4.11Å
1281S72.4Confident83.7Confident40 Ų4040.7 Ų40.728%0.2821%0.214SC..SBendtrans-137.4-174.8-178.181.30000110.7K1279 C1283 D1284K1279-S1281 WeakPolarHBondContact CE-O 3.38Å; K1279-S1281 WeakPolarHBondContact CG-O 3.46Å; S1281-C1283 PolarHBondContact O-N 2.77Å; S1281-C1283 PolarHBondContact OG-N 2.94Å; S1281-D1284 PolarHBondContact N-O 2.87Å; S1281-D1284 WeakPolarHBondContact OG-CB 3.21Å; S1281-D1284 PolarHBondContact OG-N 2.81Å; S1281-D1284 PolarHBondContact OG-OD2 2.8Å
1282S66.7Low83.5Confident68 Ų6842.1 Ų42.148%0.47622%0.22SC..SBendtrans-59.5-28.7176.3530000113.1
1283C65.6Low83.3Confident60 Ų6043.7 Ų43.741%0.40523%0.227SC..SBendtrans-124.9-8.9-175.4-56.30000114.1S1234 S1281S1234-C1283 WeakPolarHBondContact CB-O 3.07Å; S1234-C1283 PolarHBondContact OG-O 3.26Å; S1234-C1283 VanDerWaalsContact OG-O 3.12Å; S1281-C1283 PolarHBondContact O-N 2.77Å; S1281-C1283 PolarHBondContact OG-N 2.94Å
1284D75.4Confident83.1Confident85 Ų8546.2 Ų46.246%0.45524%0.24SC..  trans-105132-178.8-56.9-48.9000112.2I1280 S1281I1280-D1284 HydrophobicContact CB-CB 4.21Å; I1280-D1284 PolarHBondContact N-O 2.92Å; S1281-D1284 PolarHBondContact N-O 2.87Å; S1281-D1284 WeakPolarHBondContact OG-CB 3.21Å; S1281-D1284 PolarHBondContact OG-N 2.81Å; S1281-D1284 PolarHBondContact OG-OD2 2.8Å
1285F82Confident82.9Confident10 Ų1046.2 Ų46.24%0.04424%0.24CC..EExtended strand (participates in β ladder)trans-123.4149.2177.9-57.6-85.8000111.3I1201 I1213 A1235 L1260 L1277 N1278 K1279I1201-F1285 HydrophobicContact CD1-CD1 4.14Å; I1201-F1285 HydrophobicContact CD1-CE1 3.38Å; I1201-F1285 HydrophobicContact CD1-CE2 4.35Å; I1201-F1285 HydrophobicContact CD1-CZ 3.51Å; I1201-F1285 HydrophobicContact CG1-CE1 4.28Å; I1201-F1285 HydrophobicContact CG1-CE2 4.45Å; I1201-F1285 HydrophobicContact CG1-CZ 3.9Å; I1213-F1285 HydrophobicContact CG2-CD2 4.43Å; A1235-F1285 WeakPolarHBondContact CB-O 3.48Å; L1260-F1285 HydrophobicContact CD1-CD1 3.51Å; L1260-F1285 HydrophobicContact CD1-CE1 3.41Å; L1260-F1285 VanDerWaalsContact CD1-CE1 3.41Å; L1277-F1285 HydrophobicContact CD1-CB 3.63Å; L1277-F1285 HydrophobicContact CD1-CD1 4.37Å; L1277-F1285 HydrophobicContact CD1-CG 4.28Å; L1277-F1285 HydrophobicContact CD2-CD1 4.2Å; L1277-F1285 HydrophobicContact CG-CB 4.35Å; L1277-F1285 HydrophobicContact CG-CD1 4.2Å; N1278-F1285 CarbonylContact O-C 3.57Å; N1278-F1285 WeakPolarHBondContact O-CA 3.41Å; K1279-F1285 HydrophobicContact CG-CE1 4.3Å
1286Q85.9Confident82.6Confident88 Ų8846.9 Ų46.941%0.41125%0.245SC..EExtended strand (participates in β ladder)trans-110.6126.7173.6-158.4179.6-1.900111N1278 I1280 N1288N1278-Q1286 HydrophobicContact CB-CB 4.18Å; N1278-Q1286 PolarHBondContact N-O 2.83Å; N1278-Q1286 PolarHBondContact O-N 2.81Å; I1280-Q1286 HydrophobicContact CD1-CB 3.75Å; I1280-Q1286 HydrophobicContact CD1-CG 4.29Å; I1280-Q1286 HydrophobicContact CG1-CB 4.11Å; Q1286-N1288 PolarHBondContact NE2-OD1 3.2Å
1287L87.3Confident82.3Confident15 Ų1547.7 Ų47.78%0.07925%0.253CS..EExtended strand (participates in β ladder)trans-94.1108.7175.1-83.6171.4000111.1I1211 I1213 A1235 C1237 F1263 W1275 L1277I1211-L1287 HydrophobicContact CG2-CD1 4.3Å; I1211-L1287 HydrophobicContact CG2-CD2 4.46Å; I1213-L1287 HydrophobicContact CD1-CD1 4.04Å; I1213-L1287 HydrophobicContact CD1-CD2 3.31Å; I1213-L1287 HydrophobicContact CD1-CG 3.69Å; I1213-L1287 HydrophobicContact CG1-CD1 4.08Å; I1213-L1287 HydrophobicContact CG1-CD2 4.12Å; I1213-L1287 HydrophobicContact CG1-CG 4.29Å; A1235-L1287 HydrophobicContact CB-CD1 3.95Å; A1235-L1287 HydrophobicContact CB-CG 4.12Å; C1237-L1287 HydrophobicContact CB-CB 4.17Å; C1237-L1287 HydrophobicContact CB-CD1 4.06Å; F1263-L1287 HydrophobicContact CE1-CD2 3.92Å; F1263-L1287 HydrophobicContact CZ-CD2 3.58Å; W1275-L1287 HydrophobicContact CE3-CB 4.47Å; W1275-L1287 HydrophobicContact CE3-CD2 4.32Å; W1275-L1287 HydrophobicContact CZ3-CB 4.45Å; L1277-L1287 HydrophobicContact CD1-CD2 4.15Å; L1277-L1287 HydrophobicContact CD1-CG 4.42Å
1288N87.5Confident82.4Confident47 Ų4747.7 Ų47.725%0.25125%0.253SS..EExtended strand (participates in β ladder)trans-114114.1-179.7-68.8-39.5000111.1C1276 N1278 Q1286 M1290C1276-N1288 PolarHBondContact N-O 2.91Å; C1276-N1288 PolarHBondContact O-N 3.43Å; N1278-N1288 PolarHBondContact ND2-ND2 2.84Å; N1278-N1288 VanDerWaalsContact ND2-ND2 3.18Å; Q1286-N1288 PolarHBondContact NE2-OD1 3.2Å; N1288-M1290 PolarHBondContact O-N 3.29Å
1289P88.6Confident82.5Confident29 Ų2947.9 Ų47.919%0.18826%0.261CS..EExtended strand (participates in β ladder)trans-72.9117.1172.130-32.9000109.5R1239 I1273 W1275 Y1292R1239-P1289 HydrophobicContact CG-CG 4.23Å; I1273-P1289 HydrophobicContact CG2-CB 3.91Å; W1275-P1289 HydrophobicContact CD2-CB 4.4Å; W1275-P1289 HydrophobicContact CE3-CB 3.95Å; W1275-P1289 HydrophobicContact CH2-CB 4.22Å; W1275-P1289 HydrophobicContact CZ3-CB 3.85Å; W1275-P1289 HydrophobicContact CZ3-CG 4.12Å; P1289-Y1292 HydrophobicContact CB-CE1 4.38Å; P1289-Y1292 WeakPolarHBondContact CB-OH 3.43Å; P1289-Y1292 VanDerWaalsContact CG-OH 3.28Å; P1289-Y1292 WeakPolarHBondContact CG-OH 3.48Å
1290M86.8Confident83Confident69 Ų6949.5 Ų49.534%0.3427%0.27SS..EExtended strand (participates in β ladder)trans-84.5-45.2-176.9-66.8-64.3-63.300112L1274 C1276 N1288L1274-M1290 HydrophobicContact CD2-CB 4.37Å; L1274-M1290 HydrophobicContact CG-CB 4.37Å; L1274-M1290 WeakPolarHBondContact O-CB 2.94Å; L1274-M1290 PolarHBondContact O-N 3.15Å; C1276-M1290 HydrophobicContact CB-CG 3.63Å; C1276-M1290 HydrophobicContact CB-SD 3.94Å; N1288-M1290 PolarHBondContact O-N 3.29Å
1291K87.9Confident83.6Confident41 Ų4144.3 Ų44.318%0.17824%0.243CC..EExtended strand (participates in β ladder)trans-150151.9-176.8-72.2-170.9-169.8141.10112.8C3 K4 S5 L6 I1273 L1274C3-K1291 VanDerWaalsContact O-CE 3.27Å; C3-K1291 WeakPolarHBondContact O-CE 3.43Å; C3-K1291 PolarHBondContact O-NZ 2.88Å; C3-K1291 PolarHBondContact SG-NZ 2.83Å; K4-K1291 VanDerWaalsContact CA-NZ 3.33Å; K4-K1291 VanDerWaalsContact N-NZ 3.15Å; K4-K1291 WeakPolarHBondContact O-CE 3.42Å; K4-K1291 PolarHBondContact O-NZ 2.83Å; S5-K1291 VanDerWaalsContact CA-NZ 3.26Å; L6-K1291 HydrophobicContact CD1-CB 4.1Å; L6-K1291 HydrophobicContact CG-CD 4.46Å; I1273-K1291 WeakPolarHBondContact CA-O 3.5Å; L1274-K1291 HydrophobicContact CB-CB 4.45Å; L1274-K1291 PolarHBondContact N-O 3.29Å; L1274-K1291 PolarHBondContact O-N 3.31Å
1292Y88.6Confident84.6Confident101 Ų10144.8 Ų44.840%0.39624%0.241SC..EExtended strand (participates in β ladder)trans-118.1136.8174.8-50.6-96.2000108.6I1273 P1289I1273-Y1292 HydrophobicContact CD1-CD1 3.68Å; I1273-Y1292 HydrophobicContact CD1-CE1 3.7Å; I1273-Y1292 HydrophobicContact CG1-CD1 3.67Å; I1273-Y1292 HydrophobicContact CG1-CE1 4.13Å; I1273-Y1292 HydrophobicContact CG2-CD1 4.28Å; I1273-Y1292 HydrophobicContact CG2-CE1 4.23Å; P1289-Y1292 HydrophobicContact CB-CE1 4.38Å; P1289-Y1292 WeakPolarHBondContact CB-OH 3.43Å; P1289-Y1292 VanDerWaalsContact CG-OH 3.28Å; P1289-Y1292 WeakPolarHBondContact CG-OH 3.48Å
1293F89.3Confident86Confident33 Ų3341.9 Ų41.915%0.14522%0.221CC..EExtended strand (participates in β ladder)trans-132.1129.9177.1-170.4-90.3000109L6 T8 R1271 L1272 L1295 I1335L6-F1293 HydrophobicContact CB-CB 4.27Å; L6-F1293 HydrophobicContact CB-CD2 3.72Å; L6-F1293 HydrophobicContact CB-CE2 4.43Å; L6-F1293 HydrophobicContact CB-CG 4.19Å; L6-F1293 HydrophobicContact CD1-CB 3.68Å; L6-F1293 HydrophobicContact CD1-CG 4.45Å; L6-F1293 WeakPolarHBondContact O-CE2 3.46Å; T8-F1293 WeakPolarHBondContact OG1-CZ 3.33Å; R1271-F1293 WeakPolarHBondContact CA-O 3.26Å; L1272-F1293 HydrophobicContact CB-CB 4.28Å; L1272-F1293 PolarHBondContact N-O 3.25Å; L1272-F1293 PolarHBondContact O-N 3.18Å; F1293-L1295 HydrophobicContact CD1-CD2 3.98Å; F1293-L1295 HydrophobicContact CE1-CD2 4.16Å; F1293-I1335 HydrophobicContact CD1-CD1 3.77Å; F1293-I1335 HydrophobicContact CE1-CD1 3.74Å; F1293-I1335 HydrophobicContact CE1-CG1 4.27Å
1294L88.9Confident87.4Confident53 Ų5339.3 Ų39.328%0.27720%0.203SC..EExtended strand (participates in β ladder)trans-95.3123.8-179.6-172.672.9000109.5R52 Q1270 R1271 C1296R52-L1294 HydrophobicContact CB-CD2 4.09Å; R52-L1294 WeakPolarHBondContact O-CD2 3.36Å; Q1270-L1294 HydrophobicContact CB-CD1 4.31Å; R1271-L1294 HydrophobicContact CG-CD1 4.27Å; L1294-C1296 PolarHBondContact O-N 3.2Å
1295L88.2Confident88.3Confident0 Ų036 Ų360%019%0.187CC..  trans-88.393.9-177.4-63.2168000109.8L1266 Q1270 L1272 F1293 L1298 P1301 V1327 I1335L1266-L1295 HydrophobicContact CD1-CD1 3.24Å; Q1270-L1295 WeakPolarHBondContact O-CB 3.21Å; Q1270-L1295 PolarHBondContact O-N 3.2Å; L1272-L1295 HydrophobicContact CB-CD1 4.33Å; L1272-L1295 HydrophobicContact CB-CD2 4.5Å; L1272-L1295 HydrophobicContact CB-CG 4.43Å; F1293-L1295 HydrophobicContact CD1-CD2 3.98Å; F1293-L1295 HydrophobicContact CE1-CD2 4.16Å; L1295-L1298 HydrophobicContact CB-CD1 4.18Å; L1295-L1298 HydrophobicContact CD2-CD1 4.23Å; L1295-P1301 HydrophobicContact CD1-CB 4.35Å; L1295-P1301 HydrophobicContact CD1-CG 4.5Å; L1295-V1327 HydrophobicContact CD1-CG1 3.75Å; L1295-V1327 HydrophobicContact CD2-CB 4.43Å; L1295-V1327 HydrophobicContact CD2-CG1 4.35Å; L1295-V1327 HydrophobicContact CD2-CG2 4.43Å; L1295-I1335 HydrophobicContact CD2-CD1 3.67Å
1296C83.2Confident88.8Confident14 Ų1436.7 Ų36.710%0.09519%0.192CC..THydrogen-bonded Turntrans-81.2127.1-173.8-52.50000110.7N32 R52 L1294 L1298 Q1333N32-C1296 HydrophobicContact CB-CB 4.5Å; N32-C1296 WeakPolarHBondContact OD1-CB 3.16Å; R52-C1296 PolarHBondContact O-SG 3.47Å; L1294-C1296 PolarHBondContact O-N 3.2Å; C1296-L1298 VanDerWaalsContact C-N 3.34Å; C1296-L1298 PolarHBondContact O-N 2.96Å; C1296-Q1333 PolarHBondContact O-NE2 2.95Å
1297G81.8Confident88.9Confident16 Ų1632.7 Ų32.717%0.16517%0.173CC..THydrogen-bonded Turntrans79.93.8172.100000116.7P14 G1299P14-G1297 WeakPolarHBondContact CD-O 3.26Å; G1297-G1299 VanDerWaalsContact C-N 3.28Å
1298L86.1Confident88.6Confident1 Ų132.7 Ų32.71%0.00517%0.174CC..  trans-81.3-3.6172.3-74.5-175.2000113.7L1295 C1296 V1327 G1329 A1330 G1331 A1332 Q1333L1295-L1298 HydrophobicContact CB-CD1 4.18Å; L1295-L1298 HydrophobicContact CD2-CD1 4.23Å; C1296-L1298 VanDerWaalsContact C-N 3.34Å; C1296-L1298 PolarHBondContact O-N 2.96Å; L1298-V1327 HydrophobicContact CD1-CB 4.24Å; L1298-V1327 HydrophobicContact CD1-CG1 3.99Å; L1298-G1329 CarbonylContact O-C 3.43Å; L1298-A1330 WeakPolarHBondContact O-CB 3.42Å; L1298-A1330 PolarHBondContact O-N 3.29Å; L1298-G1331 WeakPolarHBondContact CD2-O 3.31Å; L1298-A1332 VanDerWaalsContact CD2-N 3.33Å; L1298-Q1333 HydrophobicContact CD1-CB 3.98Å; L1298-Q1333 HydrophobicContact CD1-CG 3.77Å; L1298-Q1333 HydrophobicContact CD2-CG 4.02Å; L1298-Q1333 HydrophobicContact CG-CG 3.91Å
1299G84.2Confident88.1Confident30 Ų3031.3 Ų31.331%0.30917%0.167SC..  trans61.6-143-171.400000110.9Q1270 G1297 P1301Q1270-G1299 WeakPolarHBondContact CG-O 3.5Å; G1297-G1299 VanDerWaalsContact C-N 3.28Å; G1299-P1301 VanDerWaalsContact O-CD 3.28Å; G1299-P1301 WeakPolarHBondContact O-CD 3.48Å
1300E87.1Confident87Confident129 Ų12933 Ų3360%0.60317%0.174SC*.SBendtrans-73.5114.4171.4-68.1179.7179.800109.7H1302E1300-H1302 PolarHBondContact O-CD2 3.35Å
1301P92.3Very high85.5Confident1 Ų131.2 Ų31.21%0.00617%0.166CC..  trans-76.4138.6-179.934-37.2000110.7L1266 A1267 L1295 G1299 V1327 V1328L1266-P1301 HydrophobicContact CD1-CB 3.71Å; L1266-P1301 HydrophobicContact CD1-CG 3.75Å; L1266-P1301 HydrophobicContact CD2-CB 3.98Å; L1266-P1301 HydrophobicContact CG-CB 3.98Å; L1266-P1301 HydrophobicContact CG-CG 4.04Å; A1267-P1301 WeakPolarHBondContact O-CG 3.2Å; L1295-P1301 HydrophobicContact CD1-CB 4.35Å; L1295-P1301 HydrophobicContact CD1-CG 4.5Å; G1299-P1301 VanDerWaalsContact O-CD 3.28Å; G1299-P1301 WeakPolarHBondContact O-CD 3.48Å; P1301-V1327 HydrophobicContact CB-CG1 4.4Å; P1301-V1328 WeakPolarHBondContact CA-O 3.42Å
1302H93.8Very high83.6Confident50 Ų5037.8 Ų37.823%0.23120%0.198CC..  trans-113.1-28.9-172.7-70.2-63.5000114.5I842 V1245 E1300 V1328I842-H1302 WeakPolarHBondContact O-CB 3.1Å; I842-H1302 PolarHBondContact O-CD2 3.03Å; V1245-H1302 VanDerWaalsContact CG1-O 3.27Å; V1245-H1302 WeakPolarHBondContact CG1-O 3.19Å; E1300-H1302 PolarHBondContact O-CD2 3.35Å; H1302-V1328 PolarHBondContact N-O 3.07Å
1303S95.1Very high81.5Confident7 Ų737.9 Ų37.95%0.04921%0.213CC..EExtended strand (participates in β ladder)trans-155.5159.7-175.3-179.40000111.7N843 V1328N843-S1303 WeakPolarHBondContact O-CB 3.34Å; S1303-V1328 PolarHBondContact O-N 3.01Å
1304L95.5Very high79.2Confident7 Ų740.2 Ų40.24%0.03723%0.226CC..EExtended strand (participates in β ladder)trans-141150.8168.672.7104.8000111.5K1246 A1248 L1266 L1272 V1306 V1325 L1326 V1327K1246-L1304 HydrophobicContact CB-CD2 4.01Å; K1246-L1304 HydrophobicContact CB-CG 4.34Å; K1246-L1304 HydrophobicContact CG-CD2 4.35Å; K1246-L1304 HydrophobicContact CG-CG 4.19Å; A1248-L1304 HydrophobicContact CB-CD1 3.22Å; A1248-L1304 HydrophobicContact CB-CG 4.2Å; L1266-L1304 HydrophobicContact CB-CD2 3.39Å; L1266-L1304 HydrophobicContact CD2-CB 4.16Å; L1266-L1304 HydrophobicContact CD2-CD2 3.92Å; L1266-L1304 HydrophobicContact CG-CD2 4.3Å; L1272-L1304 HydrophobicContact CD1-CD2 4.44Å; L1304-V1306 HydrophobicContact CD1-CG2 3.78Å; L1304-V1325 HydrophobicContact CD1-CG1 4.27Å; L1304-L1326 CarbonylContact C-O 3.54Å; L1304-L1326 WeakPolarHBondContact CA-O 3.48Å; L1304-V1327 HydrophobicContact CB-CG2 4.18Å
1305S94.5Very high76.5Confident16 Ų1644.2 Ų44.211%0.11226%0.257CS..EExtended strand (participates in β ladder)trans-135.5144.7175.1-169.30000110C845 L847 V1325 L1326C845-S1305 WeakPolarHBondContact O-CB 3.14Å; L847-S1305 PolarHBondContact N-OG 3.3Å; S1305-V1325 CarbonylContact O-C 3.56Å; S1305-V1325 WeakPolarHBondContact O-CA 3.3Å; S1305-L1326 PolarHBondContact N-O 3.11Å; S1305-L1326 PolarHBondContact O-N 2.88Å
1306V91.9Very high74.1Confident24 Ų2448.4 Ų48.415%0.14528%0.282CS..EExtended strand (participates in β ladder)trans-128.3136.6-172.3-173.60000109.4A1248 L1264 L1304 C1323 F1324 V1325A1248-V1306 HydrophobicContact CB-CG2 3.76Å; L1264-V1306 HydrophobicContact CD1-CG2 4.29Å; L1304-V1306 HydrophobicContact CD1-CG2 3.78Å; V1306-C1323 WeakPolarHBondContact CG1-SG 3.36Å; V1306-F1324 WeakPolarHBondContact CA-O 3.3Å; V1306-V1325 HydrophobicContact CG1-CG2 4.4Å; V1306-V1325 HydrophobicContact CG2-CG1 4.26Å; V1306-V1325 HydrophobicContact CG2-CG2 4.21Å
1307T88.8Confident72.2Confident3 Ų358.5 Ų58.52%0.01833%0.325CS..EExtended strand (participates in β ladder)trans-133.5151.1168.9-172.40000110.1L847 N849 D852 L871 F1324L847-T1307 HydrophobicContact CD2-CG2 3.62Å; L847-T1307 HydrophobicContact CG-CG2 3.69Å; N849-T1307 HydrophobicContact CB-CG2 4.45Å; N849-T1307 PolarHBondContact ND2-OG1 2.76Å; D852-T1307 PolarHBondContact OD2-OG1 2.85Å; L871-T1307 HydrophobicContact CD2-CG2 3.77Å; T1307-F1324 HydrophobicContact CG2-CB 4.26Å; T1307-F1324 PolarHBondContact N-O 3.08Å; T1307-F1324 PolarHBondContact O-N 2.82Å
1308S81.4Confident70.5Confident16 Ų1665.8 Ų65.811%0.11235%0.354CS..EExtended strand (participates in β ladder)trans-123.4141.6176.857.20000110.6N849 P1251 N1252 K1322N849-S1308 PolarHBondContact ND2-O 2.89Å; P1251-S1308 WeakPolarHBondContact CG-OG 3.3Å; P1251-S1308 WeakPolarHBondContact O-CB 3.34Å; N1252-S1308 PolarHBondContact ND2-OG 2.84Å; S1308-K1322 WeakPolarHBondContact CA-O 3.22Å
1309I76Confident68.5Low18 Ų1868 Ų689%0.09237%0.367CS..EExtended strand (participates in β ladder)trans-112.6121177.7-55.9179.4000108.5N849 I869 L871 K1322 F1324N849-I1309 HydrophobicContact CB-CG1 4.29Å; I869-I1309 HydrophobicContact CB-CD1 4.3Å; I869-I1309 HydrophobicContact CG1-CD1 4.25Å; I869-I1309 HydrophobicContact CG2-CD1 3.24Å; L871-I1309 HydrophobicContact CD2-CD1 4.21Å; I1309-K1322 PolarHBondContact N-O 2.66Å; I1309-K1322 PolarHBondContact O-N 3.23Å; I1309-F1324 HydrophobicContact CD1-CD2 4.22Å; I1309-F1324 HydrophobicContact CD1-CE2 3.88Å; I1309-F1324 HydrophobicContact CG1-CE2 4.46Å
1310N64.8Low67.1Low63 Ų6371.4 Ų71.434%0.33737%0.373SS..  trans-95.896.4178.7-75.1-3.9000110.1N1252 Q1312 N1321N1252-N1310 VanDerWaalsContact ND2-CG 3.32Å; N1252-N1310 PolarHBondContact ND2-ND2 2.94Å; N1252-N1310 VanDerWaalsContact ND2-ND2 3.14Å; N1252-N1310 PolarHBondContact ND2-OD1 3.32Å; N1310-Q1312 VanDerWaalsContact C-N 3.29Å; N1310-Q1312 PolarHBondContact O-N 2.81Å; N1310-N1321 PolarHBondContact OD1-OD1 2.92Å
1311N56.1Low66Low32 Ų3268 Ų6817%0.17136%0.358CS..  trans-79.772.6175.7-78.6-3.8000111.1S1313N1311-S1313 PolarHBondContact O-N 2.81Å
1312Q49.1Very low65.2Low180 Ų18070 Ų7084%0.84137%0.367SS*.THydrogen-bonded Turntrans-76.3-6.4175.2-73.6-173.6-9.900113.8N1310N1310-Q1312 VanDerWaalsContact C-N 3.29Å; N1310-Q1312 PolarHBondContact O-N 2.81Å
1313S43.3Very low64.9Low102 Ų10267.8 Ų67.871%0.71336%0.357SS*.THydrogen-bonded Turntrans-100.21.9-164.861.80000117.3N1311N1311-S1313 PolarHBondContact O-N 2.81Å
1314I41.4Very low64.7Low82 Ų8267.5 Ų67.542%0.42136%0.355SS..SBendtrans-129.9107.7-178.3-55.6178.1000111.5M891 T1316M891-I1314 HydrophobicContact CE-CD1 3.43Å; M891-I1314 VanDerWaalsContact CE-CD1 3.43Å; I1314-T1316 VanDerWaalsContact C-N 3.29Å; I1314-T1316 PolarHBondContact O-N 2.95Å
1315C31.2Very low64.6Low137 Ų13767.2 Ų67.293%0.92635%0.353SS*.  trans-62.566.2-177.6-660000115.4
1316T39.3Very low64.6Low88 Ų8866.4 Ų66.454%0.5435%0.348SS..  trans-135.6133.9159.955.20000109.1I1314 E1318 N1319I1314-T1316 VanDerWaalsContact C-N 3.29Å; I1314-T1316 PolarHBondContact O-N 2.95Å; T1316-E1318 PolarHBondContact O-N 3.39Å; T1316-N1319 PolarHBondContact O-N 3.31Å
1317K42.4Very low64.7Low227 Ų22765.3 Ų65.399%0.98734%0.341SS*.THydrogen-bonded Turntrans-628.4-173.3-77.7179.9172.3178.70115.3
1318E45.4Very low65Low168 Ų16865.1 Ų65.179%0.78534%0.34SS*.THydrogen-bonded Turntrans-115.9-5.4-173.4-66.4-167.8151.700115.1T1316 K1320T1316-E1318 PolarHBondContact O-N 3.39Å; E1318-K1320 PolarHBondContact O-N 2.62Å
1319N45.5Very low65.6Low49 Ų4964.4 Ų64.426%0.26234%0.335SS..  trans-84.178.4-178.3-80.4-22.5000112.5T1316T1316-N1319 PolarHBondContact O-N 3.31Å
1320K55.1Low66.3Low100 Ų10064.4 Ų64.444%0.43534%0.338SS..PPolyproline II helixtrans-61145.7173.2-63179.1178.7-176.40111.8M1 E1318 K1322M1-K1320 HydrophobicContact SD-CD 4.33Å; E1318-K1320 PolarHBondContact O-N 2.62Å; K1320-K1322 PolarHBondContact O-N 3.12Å
1321N63.3Low67.5Low57 Ų5761.6 Ų61.631%0.30532%0.324SS..PPolyproline II helixtrans-50.5122.9168.3-67.3-21.8000109.6N1252 N1310N1252-N1321 HydrophobicContact CB-CB 4.39Å; N1252-N1321 PolarHBondContact O-ND2 2.82Å; N1310-N1321 PolarHBondContact OD1-OD1 2.92Å
1322K76Confident69.2Low45 Ų4560.1 Ų60.120%0.19632%0.316CS..EExtended strand (participates in β ladder)trans-94.8128.2178.6-66.9-177.7-178177.50108.7I869 M891 S1308 I1309 K1320 F1324I869-K1322 HydrophobicContact CD1-CD 3.97Å; M891-K1322 PolarHBondContact O-NZ 3.39Å; M891-K1322 VanDerWaalsContact O-NZ 3.14Å; S1308-K1322 WeakPolarHBondContact CA-O 3.22Å; I1309-K1322 PolarHBondContact N-O 2.66Å; I1309-K1322 PolarHBondContact O-N 3.23Å; K1320-K1322 PolarHBondContact O-N 3.12Å; K1322-F1324 HydrophobicContact CB-CE2 3.86Å; K1322-F1324 HydrophobicContact CB-CZ 4.25Å; K1322-F1324 HydrophobicContact CD-CZ 4.42Å
1323C86.1Confident71.3Confident2 Ų251.6 Ų51.61%0.01428%0.276CS..EExtended strand (participates in β ladder)trans-110.9131.5176.3177.80000109.6V1306 V1337V1306-C1323 WeakPolarHBondContact CG1-SG 3.36Å; C1323-V1337 HydrophobicContact CB-CB 4.13Å; C1323-V1337 PolarHBondContact O-N 3.37Å
1324F90.8Very high73.6Confident2 Ų246.8 Ų46.81%0.00924%0.242CC..EExtended strand (participates in β ladder)trans-120.1139.1-179-65.8-81.2000110.4L847 I869 L871 L889 V1306 T1307 I1309 K1322 L1334 I1335 Q1336L847-F1324 HydrophobicContact CD2-CB 4.08Å; I869-F1324 HydrophobicContact CD1-CE2 4.3Å; I869-F1324 HydrophobicContact CD1-CZ 4.09Å; I869-F1324 HydrophobicContact CG2-CE2 4.16Å; I869-F1324 HydrophobicContact CG2-CZ 4.37Å; L871-F1324 HydrophobicContact CD1-CB 4.15Å; L871-F1324 HydrophobicContact CD1-CD1 4.14Å; L871-F1324 HydrophobicContact CD1-CD2 4.24Å; L871-F1324 HydrophobicContact CD1-CG 3.91Å; L871-F1324 HydrophobicContact CD2-CD2 4.34Å; L889-F1324 HydrophobicContact CD1-CD1 4.2Å; L889-F1324 HydrophobicContact CD1-CE1 3.52Å; L889-F1324 HydrophobicContact CD1-CZ 3.99Å; V1306-F1324 WeakPolarHBondContact CA-O 3.3Å; T1307-F1324 HydrophobicContact CG2-CB 4.26Å; T1307-F1324 PolarHBondContact N-O 3.08Å; T1307-F1324 PolarHBondContact O-N 2.82Å; I1309-F1324 HydrophobicContact CD1-CD2 4.22Å; I1309-F1324 HydrophobicContact CD1-CE2 3.88Å; I1309-F1324 HydrophobicContact CG1-CE2 4.46Å; K1322-F1324 HydrophobicContact CB-CE2 3.86Å; K1322-F1324 HydrophobicContact CB-CZ 4.25Å; K1322-F1324 HydrophobicContact CD-CZ 4.42Å; F1324-L1334 HydrophobicContact CB-CD1 4.23Å; F1324-L1334 HydrophobicContact CD1-CD2 4.41Å; F1324-I1335 WeakPolarHBondContact CA-O 3.28Å; F1324-Q1336 HydrophobicContact CD1-CB 4.18Å; F1324-Q1336 HydrophobicContact CD1-CG 4.3Å; F1324-Q1336 HydrophobicContact CE1-CB 4.08Å; F1324-Q1336 HydrophobicContact CE1-CG 3.95Å; F1324-Q1336 HydrophobicContact CZ-CG 4.49Å
1325V93.4Very high76Confident0 Ų042.9 Ų42.90%022%0.222CC..EExtended strand (participates in β ladder)trans-127.5118.8-174.8-175.20000108.1L1264 L1304 S1305 V1306 V1327 L1334 I1335 V1337L1264-V1325 HydrophobicContact CD1-CB 4.2Å; L1264-V1325 HydrophobicContact CD1-CG1 3.86Å; L1264-V1325 HydrophobicContact CD1-CG2 3.28Å; L1304-V1325 HydrophobicContact CD1-CG1 4.27Å; S1305-V1325 CarbonylContact O-C 3.56Å; S1305-V1325 WeakPolarHBondContact O-CA 3.3Å; V1306-V1325 HydrophobicContact CG1-CG2 4.4Å; V1306-V1325 HydrophobicContact CG2-CG1 4.26Å; V1306-V1325 HydrophobicContact CG2-CG2 4.21Å; V1325-V1327 HydrophobicContact CG1-CG2 3.88Å; V1325-L1334 CarbonylContact O-C 3.29Å; V1325-L1334 WeakPolarHBondContact O-CA 3.07Å; V1325-I1335 HydrophobicContact CB-CB 4.38Å; V1325-I1335 PolarHBondContact N-O 3.28Å; V1325-I1335 PolarHBondContact O-N 3.13Å; V1325-V1337 HydrophobicContact CG2-CG2 3.6Å
1326L94.8Very high78.7Confident0 Ų037 Ų370%018%0.181CC..EExtended strand (participates in β ladder)trans-94.9124.1169.2-17866.1000108.4W10 C845 L847 C873 W885 L1304 S1305 V1328 A1332 Q1333 L1334W10-L1326 HydrophobicContact CZ3-CD1 4.38Å; C845-L1326 HydrophobicContact CB-CD2 4.01Å; L847-L1326 HydrophobicContact CB-CB 4.09Å; L847-L1326 HydrophobicContact CD1-CB 4.34Å; L847-L1326 HydrophobicContact CD2-CB 4.01Å; L847-L1326 HydrophobicContact CG-CB 4.38Å; C873-L1326 HydrophobicContact CB-CD2 4.04Å; W885-L1326 HydrophobicContact CH2-CD2 4.33Å; W885-L1326 HydrophobicContact CZ2-CD1 4.4Å; W885-L1326 HydrophobicContact CZ2-CD2 4.17Å; L1304-L1326 CarbonylContact C-O 3.54Å; L1304-L1326 WeakPolarHBondContact CA-O 3.48Å; S1305-L1326 PolarHBondContact N-O 3.11Å; S1305-L1326 PolarHBondContact O-N 2.88Å; L1326-V1328 HydrophobicContact CG-CG1 4.27Å; L1326-A1332 HydrophobicContact CD1-CB 4.22Å; L1326-Q1333 WeakPolarHBondContact CA-O 3.35Å; L1326-L1334 HydrophobicContact CB-CD1 4.44Å
1327V95.6Very high80.9Confident0 Ų032.9 Ų32.90%016%0.156CC..EExtended strand (participates in β ladder)trans-116.4137.8175.3-1740000109L1266 L1295 L1298 P1301 L1304 V1325 A1332 Q1333 I1335L1266-V1327 HydrophobicContact CD1-CG1 3.81Å; L1266-V1327 HydrophobicContact CD2-CG1 3.86Å; L1266-V1327 HydrophobicContact CG-CG1 4.49Å; L1295-V1327 HydrophobicContact CD1-CG1 3.75Å; L1295-V1327 HydrophobicContact CD2-CB 4.43Å; L1295-V1327 HydrophobicContact CD2-CG1 4.35Å; L1295-V1327 HydrophobicContact CD2-CG2 4.43Å; L1298-V1327 HydrophobicContact CD1-CB 4.24Å; L1298-V1327 HydrophobicContact CD1-CG1 3.99Å; P1301-V1327 HydrophobicContact CB-CG1 4.4Å; L1304-V1327 HydrophobicContact CB-CG2 4.18Å; V1325-V1327 HydrophobicContact CG1-CG2 3.88Å; V1327-A1332 CarbonylContact O-C 3.6Å; V1327-A1332 VanDerWaalsContact O-CA 3.31Å; V1327-A1332 WeakPolarHBondContact O-CA 3.48Å; V1327-Q1333 PolarHBondContact N-O 3.24Å; V1327-Q1333 PolarHBondContact O-N 3.36Å; V1327-I1335 HydrophobicContact CG2-CD1 4.25Å
1328V95.2Very high82.1Confident0 Ų025.6 Ų25.60%013%0.125CC..EExtended strand (participates in β ladder)trans-130.4154.1-176.4-60.20000113.3I842 C845 P1301 H1302 S1303 L1326 G1331 A1332I842-V1328 HydrophobicContact CB-CB 3.94Å; I842-V1328 HydrophobicContact CB-CG2 4.23Å; I842-V1328 HydrophobicContact CD1-CB 4.44Å; I842-V1328 HydrophobicContact CG2-CB 3.67Å; I842-V1328 HydrophobicContact CG2-CG1 4.09Å; I842-V1328 HydrophobicContact CG2-CG2 3.68Å; C845-V1328 HydrophobicContact CB-CB 4.37Å; C845-V1328 HydrophobicContact CB-CG1 3.6Å; C845-V1328 HydrophobicContact CB-CG2 3.82Å; P1301-V1328 WeakPolarHBondContact CA-O 3.42Å; H1302-V1328 PolarHBondContact N-O 3.07Å; S1303-V1328 PolarHBondContact O-N 3.01Å; L1326-V1328 HydrophobicContact CG-CG1 4.27Å; V1328-G1331 WeakPolarHBondContact CA-O 3.46Å; V1328-A1332 HydrophobicContact CG1-CB 4.04Å
1329G92.9Very high84Confident0 Ų018.5 Ų18.50%09%0.092CC..SBendtrans-168.1-121.8178.800000109.6I842 L1298 G1331I842-G1329 WeakPolarHBondContact CB-O 3.39Å; I842-G1329 PolarHBondContact N-O 3.24Å; L1298-G1329 CarbonylContact O-C 3.43Å; G1329-G1331 PolarHBondContact N-O 2.69Å; G1329-G1331 PolarHBondContact O-N 3.27Å
1330A90Very high86Confident18 Ų1816.9 Ų16.915%0.1498%0.083CC..SBendtrans-65.5-10.4165.600000113.8P14 L1298P14-A1330 HydrophobicContact CG-CB 4.41Å; L1298-A1330 WeakPolarHBondContact O-CB 3.42Å; L1298-A1330 PolarHBondContact O-N 3.29Å
1331G90.6Very high87.7Confident5 Ų512.3 Ų12.35%0.0526%0.063CC..SBendtrans-154.2-154.8175.300000110.7H12 L1298 V1328 G1329H12-G1331 CarbonylContact O-C 3.52Å; H12-G1331 VanDerWaalsContact O-CA 3.23Å; H12-G1331 WeakPolarHBondContact O-CA 3.3Å; L1298-G1331 WeakPolarHBondContact CD2-O 3.31Å; V1328-G1331 WeakPolarHBondContact CA-O 3.46Å; G1329-G1331 PolarHBondContact N-O 2.69Å; G1329-G1331 PolarHBondContact O-N 3.27Å
1332A92.2Very high89.2Confident0 Ų09.6 Ų9.60%05%0.049CC..EExtended strand (participates in β ladder)trans-138.5145.1176.500000112.6W10 Q11 H12 L837 L1298 L1326 V1327 V1328W10-A1332 HydrophobicContact CH2-CB 4.05Å; W10-A1332 HydrophobicContact CZ3-CB 3.67Å; Q11-A1332 CarbonylContact C-O 3.54Å; Q11-A1332 WeakPolarHBondContact CA-O 3.45Å; H12-A1332 PolarHBondContact N-O 3.09Å; H12-A1332 PolarHBondContact O-N 3.1Å; L837-A1332 HydrophobicContact CD2-CB 3.83Å; L1298-A1332 VanDerWaalsContact CD2-N 3.33Å; L1326-A1332 HydrophobicContact CD1-CB 4.22Å; V1327-A1332 CarbonylContact O-C 3.6Å; V1327-A1332 VanDerWaalsContact O-CA 3.31Å; V1327-A1332 WeakPolarHBondContact O-CA 3.48Å; V1328-A1332 HydrophobicContact CG1-CB 4.04Å
1333Q92.2Very high90Very high2 Ų27.4 Ų7.41%0.0094%0.04CC..EExtended strand (participates in β ladder)trans-133.6133.2173-70.5-177.9-0.700110.7W10 Q11 C1296 L1298 L1326 V1327W10-Q1333 CarbonylContact O-C 3.6Å; W10-Q1333 WeakPolarHBondContact O-CA 3.32Å; Q11-Q1333 HydrophobicContact CB-CG 3.8Å; C1296-Q1333 PolarHBondContact O-NE2 2.95Å; L1298-Q1333 HydrophobicContact CD1-CB 3.98Å; L1298-Q1333 HydrophobicContact CD1-CG 3.77Å; L1298-Q1333 HydrophobicContact CD2-CG 4.02Å; L1298-Q1333 HydrophobicContact CG-CG 3.91Å; L1326-Q1333 WeakPolarHBondContact CA-O 3.35Å; V1327-Q1333 PolarHBondContact N-O 3.24Å; V1327-Q1333 PolarHBondContact O-N 3.36Å
1334L92.2Very high90.2Very high0 Ų07.8 Ų7.80%04%0.041CC..EExtended strand (participates in β ladder)trans-101.2120.5171.7-17373.7000109.3K9 W10 L847 L871 I887 L889 F1324 V1325 L1326K9-L1334 HydrophobicContact CB-CD2 4.47Å; K9-L1334 PolarHBondContact N-O 3.24Å; W10-L1334 HydrophobicContact CB-CB 3.97Å; W10-L1334 HydrophobicContact CE3-CB 4.15Å; W10-L1334 PolarHBondContact N-O 3.25Å; W10-L1334 PolarHBondContact O-N 2.92Å; L847-L1334 HydrophobicContact CD1-CD1 4.42Å; L847-L1334 HydrophobicContact CD2-CD1 3.98Å; L871-L1334 HydrophobicContact CD1-CD1 4.16Å; L871-L1334 HydrophobicContact CD1-CD2 3.77Å; I887-L1334 HydrophobicContact CD1-CB 4.47Å; I887-L1334 HydrophobicContact CD1-CD2 4.03Å; I887-L1334 HydrophobicContact CG2-CD2 4.1Å; L889-L1334 HydrophobicContact CD1-CD2 4.01Å; F1324-L1334 HydrophobicContact CB-CD1 4.23Å; F1324-L1334 HydrophobicContact CD1-CD2 4.41Å; V1325-L1334 CarbonylContact O-C 3.29Å; V1325-L1334 WeakPolarHBondContact O-CA 3.07Å; L1326-L1334 HydrophobicContact CB-CD1 4.44Å
1335I91Very high90.2Very high0 Ų08.2 Ų8.20%04%0.044CC..EExtended strand (participates in β ladder)trans-115.3131.8-178.2-61.4166000108.5L6 E7 L1272 F1293 L1295 F1324 V1325 V1327L6-I1335 HydrophobicContact CB-CG2 4.11Å; L6-I1335 HydrophobicContact CD2-CG2 4.19Å; E7-I1335 CarbonylContact O-C 3.56Å; E7-I1335 WeakPolarHBondContact O-CA 3.14Å; L1272-I1335 HydrophobicContact CD2-CD1 3.65Å; F1293-I1335 HydrophobicContact CD1-CD1 3.77Å; F1293-I1335 HydrophobicContact CE1-CD1 3.74Å; F1293-I1335 HydrophobicContact CE1-CG1 4.27Å; L1295-I1335 HydrophobicContact CD2-CD1 3.67Å; F1324-I1335 WeakPolarHBondContact CA-O 3.28Å; V1325-I1335 HydrophobicContact CB-CB 4.38Å; V1325-I1335 PolarHBondContact N-O 3.28Å; V1325-I1335 PolarHBondContact O-N 3.13Å; V1327-I1335 HydrophobicContact CG2-CD1 4.25Å
1336Q88.7Confident90Very high13 Ų138.8 Ų8.86%0.0615%0.047CC..EExtended strand (participates in β ladder)trans-92.4134.2169.3-173.3177.9-8.200110E7 K9 F1324 F1338E7-Q1336 PolarHBondContact N-O 2.91Å; E7-Q1336 VanDerWaalsContact N-O 3.12Å; E7-Q1336 PolarHBondContact O-N 3.15Å; K9-Q1336 HydrophobicContact CG-CB 3.78Å; F1324-Q1336 HydrophobicContact CD1-CB 4.18Å; F1324-Q1336 HydrophobicContact CD1-CG 4.3Å; F1324-Q1336 HydrophobicContact CE1-CB 4.08Å; F1324-Q1336 HydrophobicContact CE1-CG 3.95Å; F1324-Q1336 HydrophobicContact CZ-CG 4.49Å; Q1336-F1338 HydrophobicContact CB-CE2 4.08Å; Q1336-F1338 HydrophobicContact CG-CD2 4.27Å; Q1336-F1338 HydrophobicContact CG-CE2 3.92Å; Q1336-F1338 HydrophobicContact CG-CZ 4.08Å; Q1336-F1338 VanDerWaalsContact NE2-CE1 3.3Å
1337V84.7Confident89.6Confident2 Ų29.6 Ų9.61%0.0125%0.051CC..EExtended strand (participates in β ladder)trans-100.3120173.9-170.50000108.5L6 L1253 L1264 L1274 C1323 V1325L6-V1337 HydrophobicContact CD2-CB 4.16Å; L6-V1337 HydrophobicContact CD2-CG1 4Å; L6-V1337 HydrophobicContact CD2-CG2 3.72Å; L1253-V1337 HydrophobicContact CD1-CG1 4.4Å; L1264-V1337 HydrophobicContact CD1-CG2 4.48Å; L1274-V1337 HydrophobicContact CD2-CG1 4.21Å; C1323-V1337 HydrophobicContact CB-CB 4.13Å; C1323-V1337 PolarHBondContact O-N 3.37Å; V1325-V1337 HydrophobicContact CG2-CG2 3.6Å
1338F69.4Low89Confident75 Ų7510.5 Ų10.533%0.3296%0.056SC..  trans-103.50-176.4-76.3-84000114.6C3 K4 S5 E7 Q1336C3-F1338 CarbonylContact C-O 3.51Å; C3-F1338 VanDerWaalsContact C-O 3.29Å; C3-F1338 WeakPolarHBondContact CA-O 3.34Å; C3-F1338 WeakPolarHBondContact CB-O 3.34Å; C3-F1338 PolarHBondContact SG-O 3.2Å; K4-F1338 PolarHBondContact N-O 2.87Å; S5-F1338 PolarHBondContact O-N 2.71Å; S5-F1338 VanDerWaalsContact OG-CD2 3.31Å; S5-F1338 WeakPolarHBondContact OG-CD2 3.38Å; E7-F1338 HydrophobicContact CB-CD2 4.45Å; E7-F1338 HydrophobicContact CB-CE2 3.9Å; E7-F1338 VanDerWaalsContact OE2-CE2 3.23Å; E7-F1338 WeakPolarHBondContact OE2-CE2 3.47Å; Q1336-F1338 HydrophobicContact CB-CE2 4.08Å; Q1336-F1338 HydrophobicContact CG-CD2 4.27Å; Q1336-F1338 HydrophobicContact CG-CE2 3.92Å; Q1336-F1338 HydrophobicContact CG-CZ 4.08Å; Q1336-F1338 VanDerWaalsContact NE2-CE1 3.3Å

Retrieved 1,338 of 1,338 residues in 3179.1 ms (Link to these results)

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