A0A096M3U1_POEFO Loading...

SEH1-like (S. cerevisiae)

Component of the Nup107-160 subcomplex of the nuclear pore complex (NPC). The Nup107-160 subcomplex is required for the assembly of a functional NPC. The Nup107-160 subcomplex is also required for normal kinetochore microtubule attachment, mitotic progression and chromosome segregation. This subunit plays a role in recruitment of the Nup107-160 subcomplex to the kinetochore.

AlphaFold DB , UniProt , Accession A0A096M3U1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 383 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
1M44.8Very low76.2Confident226 Ų226108.8 Ų108.8100%1.11359%0.593SS**  0120.70-176.3178.1-92.200106.8
2F52.8Low77.8Confident214 Ų214116.5 Ų116.594%0.93962%0.617SS**  trans-78.4132174.5-66.6-83.2000108.1
3V64.1Low79.2Confident108 Ų108114.1 Ų114.166%0.65560%0.604SS**  trans-109.5110.9174.9-179.40000106.6R5V3-R5 HydrophobicContact CG1-CG 4.23Å
4A69.6Low80.4Confident60 Ų60114.5 Ų114.550%0.49661%0.606SS.*  trans-75.9129.3170.200000108.6
5R77.1Confident81.5Confident164 Ų164111.9 Ų111.962%0.61959%0.591SS**  trans-120.7127.8171.4-67.5-174.4178.5177.1-0.6107.6V3V3-R5 HydrophobicContact CG1-CG 4.23Å
6S84.4Confident82.5Confident125 Ų125107.4 Ų107.487%0.87457%0.566SS**  trans-75.7138.3170.2-1720000109
7I87.4Confident83.4Confident64 Ų64101.7 Ų101.733%0.32854%0.536SS..  trans-119.6134.3174.261.4173.1000107.9A9 M27 W47I7-A9 PolarHBondContact O-N 3.14Å; I7-M27 HydrophobicContact CD1-CE 4.41Å; I7-M27 HydrophobicContact CD1-SD 4.03Å; I7-W47 HydrophobicContact CD1-CB 3.99Å; I7-W47 HydrophobicContact CD1-CG 4.12Å; I7-W47 HydrophobicContact CG2-CB 4.23Å
8A87.3Confident84.1Confident68 Ų6899.8 Ų99.856%0.56253%0.529SS*.  trans-74.8113.2173.700000108.2D10 W39A8-D10 VanDerWaalsContact C-N 3.26Å; A8-D10 PolarHBondContact O-N 2.92Å; A8-W39 WeakPolarHBondContact O-CH2 3.49Å
9A86.3Confident84.8Confident21 Ų2195.7 Ų95.717%0.17451%0.509CS..  trans-77.6-13-17900000113.2I7 H11 I15 K37 W39I7-A9 PolarHBondContact O-N 3.14Å; A9-H11 PolarHBondContact O-N 3.38Å; A9-I15 HydrophobicContact CB-CD1 3.41Å; A9-I15 VanDerWaalsContact CB-CD1 3.41Å; A9-K37 VanDerWaalsContact O-CD 3.24Å; A9-K37 WeakPolarHBondContact O-CD 3.48Å; A9-K37 VanDerWaalsContact O-CE 3.28Å; A9-K37 WeakPolarHBondContact O-CE 3.4Å; A9-W39 HydrophobicContact CB-CZ2 4.27Å; A9-W39 VanDerWaalsContact O-CZ2 3.25Å; A9-W39 WeakPolarHBondContact O-CZ2 3.49Å
10D90Very high85.4Confident119 Ų11997.1 Ų97.164%0.63651%0.508SS*.  trans48.632.5178.3-60.6-28.4000114.7A8 K37A8-D10 VanDerWaalsContact C-N 3.26Å; A8-D10 PolarHBondContact O-N 2.92Å; D10-K37 WeakPolarHBondContact O-CE 3.38Å; D10-K37 PolarHBondContact O-NZ 2.76Å
11H94.4Very high85.9Confident28 Ų2893.2 Ų93.213%0.1349%0.488CS..  trans-81.9144.8166.2-80.7-67.9000109.7A9 D13 I15 T29 S31 D33 S35A9-H11 PolarHBondContact O-N 3.38Å; H11-D13 VanDerWaalsContact C-N 3.3Å; H11-I15 HydrophobicContact CB-CD1 4.44Å; H11-I15 HydrophobicContact CB-CG1 4.04Å; H11-T29 PolarHBondContact NE2-OG1 2.97Å; H11-S31 VanDerWaalsContact ND1-CB 3.28Å; H11-S31 WeakPolarHBondContact ND1-CB 3.39Å; H11-D33 VanDerWaalsContact CA-OD2 3.28Å; H11-D33 WeakPolarHBondContact CA-OD2 3.01Å; H11-D33 WeakPolarHBondContact CB-OD2 3.4Å; H11-D33 IonicContact CG-OD2 3.72Å; H11-D33 IonicContact ND1-OD1 3.52Å; H11-D33 PolarHBondContact ND1-OD1 2.94Å; H11-D33 IonicContact ND1-OD2 3.15Å; H11-D33 PolarHBondContact ND1-OD2 2.97Å; H11-S35 PolarHBondContact CE1-OG 2.84Å; H11-S35 PolarHBondContact ND1-OG 3.29Å
12K94.9Very high88.2Confident201 Ų20188.8 Ų88.887%0.87446%0.463SS*.SBendtrans-84.4-8.5-178.2-63.4-178.3180-179.80113.3D33K12-D33 HydrophobicContact CB-CB 3.93Å; K12-D33 PolarHBondContact N-OD2 3.06Å
13D96.4Very high90.1Very high85 Ų8584.1 Ų84.146%0.45544%0.443SS..SBendtrans-150.8178.3-176.6-153.1-24.8000109.6H11 I15 S31 S32 D33H11-D13 VanDerWaalsContact C-N 3.3Å; D13-I15 PolarHBondContact O-N 3.17Å; D13-S31 PolarHBondContact O-OG 3.15Å; D13-S32 WeakPolarHBondContact OD2-CB 3.48Å; D13-D33 HydrophobicContact CB-CB 4.05Å
14L96.2Very high91.5Very high120 Ų12080.6 Ų80.663%0.62843%0.428SS*.  trans-51.2134.4-176.6-62.1174.9000112.6S31 S32L14-S31 CarbonylContact O-C 3.54Å; L14-S31 WeakPolarHBondContact O-CA 3.46Å; L14-S31 WeakPolarHBondContact O-CB 3.16Å; L14-S31 PolarHBondContact O-OG 2.76Å; L14-S32 PolarHBondContact O-N 2.95Å
15I96.9Very high92.6Very high76 Ų7686.2 Ų86.239%0.3944%0.437SS..EExtended strand (participates in β ladder)trans-88.3126.3174.6-56172.2000107.8A9 H11 D13 V18 C30A9-I15 HydrophobicContact CB-CD1 3.41Å; A9-I15 VanDerWaalsContact CB-CD1 3.41Å; H11-I15 HydrophobicContact CB-CD1 4.44Å; H11-I15 HydrophobicContact CB-CG1 4.04Å; D13-I15 PolarHBondContact O-N 3.17Å; I15-V18 HydrophobicContact CG2-CG2 4.31Å; I15-C30 WeakPolarHBondContact CA-O 3.43Å; I15-C30 WeakPolarHBondContact CG2-O 3.37Å
16H96.9Very high93.5Very high39 Ų3979.5 Ų79.518%0.18141%0.412CS..EExtended strand (participates in β ladder)trans-96.9-37.2-175.6-68.2-60000112.9C30 S32 V60 W61 R282H16-C30 PolarHBondContact N-O 3.47Å; H16-S32 PolarHBondContact NE2-OG 2.98Å; H16-V60 PolarHBondContact CD2-O 3.08Å; H16-W61 HydrophobicContact CB-CE3 4.2Å; H16-W61 WeakPolarHBondContact CB-O 3.22Å; H16-W61 AromaticContact CD2-CE3 3.93Å; H16-W61 AromaticContact CE1-CE3 3.75Å; H16-W61 AromaticContact CE1-CZ3 3.36Å; H16-W61 WeakPolarHBondContact CE1-CZ3 3.49Å; H16-W61 AromaticContact CG-CE3 3.58Å; H16-W61 AromaticContact CG-CZ3 3.87Å; H16-W61 AromaticContact ND1-CE3 3.48Å; H16-W61 AromaticContact ND1-CZ3 3.23Å; H16-W61 WeakPolarHBondContact ND1-CZ3 3.41Å; H16-R282 PolarHBondContact O-NH2 3.27Å
17D97.6Very high94Very high11 Ų1174.1 Ų74.16%0.05937%0.373CS..EExtended strand (participates in β ladder)trans-146.4152.7-174.4-155.132.3000112.3C30 R62 V63 R282D17-C30 VanDerWaalsContact CB-SG 3.55Å; D17-C30 PolarHBondContact O-N 2.93Å; D17-R62 VanDerWaalsContact CG-CD 3.47Å; D17-R62 WeakPolarHBondContact OD2-CA 3.29Å; D17-R62 WeakPolarHBondContact OD2-CD 3.42Å; D17-V63 HydrophobicContact CB-CG1 4.4Å; D17-V63 PolarHBondContact OD2-N 3.42Å; D17-R282 IonicContact OD1-CZ 2.76Å; D17-R282 IonicContact OD1-NH1 3.05Å; D17-R282 PolarHBondContact OD1-NH1 3.08Å; D17-R282 IonicContact OD1-NH2 3.96Å; D17-R282 PolarHBondContact OD1-NH2 2.76Å
18V97Very high94.5Very high68 Ų6871.1 Ų71.141%0.41236%0.357SS..EExtended strand (participates in β ladder)trans-137128.9175.2-179.50000107.7I15 M27 A28 T29I15-V18 HydrophobicContact CG2-CG2 4.31Å; V18-M27 HydrophobicContact CG1-CE 3.36Å; V18-A28 WeakPolarHBondContact CA-O 3.46Å; V18-T29 HydrophobicContact CG1-CG2 4.31Å; V18-T29 HydrophobicContact CG2-CG2 4.06Å
19S97.3Very high95Very high22 Ų2268.1 Ų68.115%0.15433%0.332CS..EExtended strand (participates in β ladder)trans-133.8131.7-179.6-168.40000111.1M27 A28 V63 W65S19-M27 CarbonylContact O-C 3.59Å; S19-M27 VanDerWaalsContact O-CA 3.3Å; S19-M27 WeakPolarHBondContact O-CA 3.38Å; S19-A28 PolarHBondContact N-O 3.01Å; S19-A28 PolarHBondContact O-N 3.42Å; S19-V63 WeakPolarHBondContact CB-O 3.39Å; S19-W65 PolarHBondContact O-NE1 2.93Å
20Y96.7Very high95.5Very high123 Ų12367.1 Ų67.148%0.48232%0.324SS..EExtended strand (participates in β ladder)trans-86.8149176.1-78.1-87.2000110.9R26 M27 W47Y20-R26 WeakPolarHBondContact CA-O 3.35Å; Y20-M27 HydrophobicContact CD1-CB 4.14Å; Y20-M27 HydrophobicContact CE1-CB 4.17Å; Y20-W47 HydrophobicContact CD1-CH2 4.12Å; Y20-W47 AromaticContact CE1-CH2 3.59Å; Y20-W47 HydrophobicContact CE1-CH2 3.59Å; Y20-W47 AromaticContact CE1-CZ2 3.6Å; Y20-W47 HydrophobicContact CE1-CZ2 3.6Å
21D95.6Very high95.9Very high15 Ų1561.4 Ų61.48%0.0829%0.293CS..  trans-67.9169.8166.478.5-39.5000111.3H23 G24 R25 R26 W65D21-H23 PolarHBondContact O-N 2.95Å; D21-H23 VanDerWaalsContact O-N 3.15Å; D21-H23 IonicContact OD2-CD2 3.6Å; D21-H23 PolarHBondContact OD2-N 2.91Å; D21-G24 PolarHBondContact O-N 2.84Å; D21-G24 VanDerWaalsContact O-N 3.1Å; D21-G24 VanDerWaalsContact OD1-CA 3.24Å; D21-G24 WeakPolarHBondContact OD1-CA 3.3Å; D21-G24 PolarHBondContact OD1-N 3Å; D21-R25 PolarHBondContact OD1-N 3.01Å; D21-R26 HydrophobicContact CB-CB 3.97Å; D21-R26 HydrophobicContact CB-CG 4.47Å; D21-R26 PolarHBondContact N-O 2.79Å; D21-R26 PolarHBondContact OD1-N 3.11Å; D21-R26 VanDerWaalsContact OD1-O 3.12Å; D21-W65 HydrophobicContact CB-CD2 3.95Å; D21-W65 HydrophobicContact CB-CE3 4.14Å; D21-W65 HydrophobicContact CB-CG 4.3Å
22F93.5Very high96.1Very high134 Ų13461.1 Ų61.159%0.58829%0.294SS*.THydrogen-bonded Turntrans-57.5-31.2-179.7-178.3-95.1000113.4H67 P68F22-H67 AromaticContact CD2-CD2 3.84Å; F22-H67 AromaticContact CE2-CD2 3.83Å; F22-H67 AromaticContact CE2-NE2 3.75Å; F22-H67 AromaticContact CZ-NE2 3.99Å; F22-P68 VanDerWaalsContact CB-CD 3.49Å; F22-P68 HydrophobicContact CB-CG 3.87Å; F22-P68 HydrophobicContact CD1-CG 3.85Å; F22-P68 HydrophobicContact CG-CG 3.9Å
23H93.2Very high96.2Very high116 Ų11652.8 Ų52.854%0.53726%0.26SS..THydrogen-bonded Turntrans-91.1-6.7-178.5-60.3-67.8000113.9D21 R25D21-H23 PolarHBondContact O-N 2.95Å; D21-H23 VanDerWaalsContact O-N 3.15Å; D21-H23 IonicContact OD2-CD2 3.6Å; D21-H23 PolarHBondContact OD2-N 2.91Å; H23-R25 HydrophobicContact CB-CG 4.29Å; H23-R25 PolarHBondContact O-N 3.4Å
24G92.9Very high96.2Very high33 Ų3351.9 Ų51.934%0.3425%0.253SS..SBendtrans64.121.4-174.700000114.1D21D21-G24 PolarHBondContact O-N 2.84Å; D21-G24 VanDerWaalsContact O-N 3.1Å; D21-G24 VanDerWaalsContact OD1-CA 3.24Å; D21-G24 WeakPolarHBondContact OD1-CA 3.3Å; D21-G24 PolarHBondContact OD1-N 3Å
25R93.2Very high96.2Very high179 Ų17946.6 Ų46.668%0.67523%0.226SC*.SBendtrans-101.5-15.6178.4-67.2-173.7-179.2-169.8-0.8112.5D21 H23 K41 W47D21-R25 PolarHBondContact OD1-N 3.01Å; H23-R25 HydrophobicContact CB-CG 4.29Å; H23-R25 PolarHBondContact O-N 3.4Å; R25-K41 VanDerWaalsContact O-CB 3.23Å; R25-K41 WeakPolarHBondContact O-CB 3.3Å; R25-K41 PolarHBondContact O-N 3.26Å; R25-W47 WeakPolarHBondContact O-CZ3 3.29Å
26R94.5Very high96.3Very high22 Ų2243.1 Ų43.18%0.08321%0.208CC..EExtended strand (participates in β ladder)trans-128151.8177.8-44.1-178.569.2-176.214.2109.4Y20 D21 W39 D40 W65 E88Y20-R26 WeakPolarHBondContact CA-O 3.35Å; D21-R26 HydrophobicContact CB-CB 3.97Å; D21-R26 HydrophobicContact CB-CG 4.47Å; D21-R26 PolarHBondContact N-O 2.79Å; D21-R26 PolarHBondContact OD1-N 3.11Å; D21-R26 VanDerWaalsContact OD1-O 3.12Å; R26-W39 CarbonylContact C-O 3.54Å; R26-W39 VanDerWaalsContact CA-O 3.23Å; R26-W39 WeakPolarHBondContact CA-O 3.39Å; R26-D40 WeakPolarHBondContact CD-OD1 3.33Å; R26-D40 VanDerWaalsContact CG-OD1 3.25Å; R26-D40 WeakPolarHBondContact CG-OD1 3.1Å; R26-D40 IonicContact CZ-OD1 3.49Å; R26-D40 IonicContact NE-OD1 3.72Å; R26-D40 PolarHBondContact NE-OD1 3.27Å; R26-D40 IonicContact NH2-OD1 3.39Å; R26-D40 IonicContact NH2-OD2 2.63Å; R26-W65 HydrophobicContact CB-CH2 4.08Å; R26-W65 HydrophobicContact CB-CZ2 4.06Å; R26-E88 IonicContact CZ-OE1 3.6Å; R26-E88 IonicContact CZ-OE2 2.95Å; R26-E88 IonicContact NH1-OE1 2.8Å; R26-E88 IonicContact NH1-OE2 2.89Å; R26-E88 PolarHBondContact NH1-OE2 3.37Å; R26-E88 IonicContact NH2-OE1 3.92Å; R26-E88 PolarHBondContact NH2-OE1 3.13Å; R26-E88 IonicContact NH2-OE2 2.81Å; R26-E88 PolarHBondContact NH2-OE2 2.91Å
27M95.8Very high96.2Very high13 Ų1342.2 Ų42.26%0.06420%0.203CC..EExtended strand (participates in β ladder)trans-136.6146.3171.962.3-175.7-62.100110I7 V18 S19 Y20 T29 V38 W39 W47I7-M27 HydrophobicContact CD1-CE 4.41Å; I7-M27 HydrophobicContact CD1-SD 4.03Å; V18-M27 HydrophobicContact CG1-CE 3.36Å; S19-M27 CarbonylContact O-C 3.59Å; S19-M27 VanDerWaalsContact O-CA 3.3Å; S19-M27 WeakPolarHBondContact O-CA 3.38Å; Y20-M27 HydrophobicContact CD1-CB 4.14Å; Y20-M27 HydrophobicContact CE1-CB 4.17Å; M27-T29 HydrophobicContact CE-CG2 3.89Å; M27-V38 WeakPolarHBondContact O-CA 3.44Å; M27-W39 HydrophobicContact CG-CB 3.58Å; M27-W39 HydrophobicContact CG-CG 3.94Å; M27-W39 PolarHBondContact N-O 2.87Å; M27-W39 PolarHBondContact O-N 2.83Å; M27-W39 HydrophobicContact SD-CB 4.27Å; M27-W39 HydrophobicContact SD-CG 4.41Å; M27-W47 HydrophobicContact CB-CH2 4.23Å; M27-W47 HydrophobicContact CB-CZ3 4.05Å; M27-W47 HydrophobicContact CG-CD2 4.37Å; M27-W47 HydrophobicContact CG-CE3 3.71Å; M27-W47 HydrophobicContact CG-CH2 4.07Å; M27-W47 HydrophobicContact CG-CZ3 3.53Å; M27-W47 HydrophobicContact SD-CD2 3.73Å; M27-W47 HydrophobicContact SD-CE3 3.69Å; M27-W47 HydrophobicContact SD-CG 4.32Å; M27-W47 HydrophobicContact SD-CH2 4.18Å; M27-W47 HydrophobicContact SD-CZ2 4.23Å; M27-W47 HydrophobicContact SD-CZ3 3.92Å
28A97.4Very high96.1Very high0 Ų041.7 Ų41.70%020%0.2CC..EExtended strand (participates in β ladder)trans-112.9137.6171.600000109V18 S19 K37 V38 V63 W65 L74V18-A28 WeakPolarHBondContact CA-O 3.46Å; S19-A28 PolarHBondContact N-O 3.01Å; S19-A28 PolarHBondContact O-N 3.42Å; A28-K37 CarbonylContact C-O 3.57Å; A28-K37 VanDerWaalsContact CA-O 3.31Å; A28-K37 WeakPolarHBondContact CA-O 3.48Å; A28-V38 HydrophobicContact CB-CG2 4.42Å; A28-V63 HydrophobicContact CB-CG1 4.1Å; A28-V63 HydrophobicContact CB-CG2 3.74Å; A28-W65 HydrophobicContact CB-CZ2 3.92Å; A28-L74 HydrophobicContact CB-CD1 4.11Å; A28-L74 HydrophobicContact CB-CD2 3.97Å
29T97.7Very high96Very high5 Ų539 Ų393%0.03118%0.183CC..EExtended strand (participates in β ladder)trans-122.9144.6176.761.60000109.7H11 V18 M27 V36 K37 W39H11-T29 PolarHBondContact NE2-OG1 2.97Å; V18-T29 HydrophobicContact CG1-CG2 4.31Å; V18-T29 HydrophobicContact CG2-CG2 4.06Å; M27-T29 HydrophobicContact CE-CG2 3.89Å; T29-V36 VanDerWaalsContact O-CA 3.32Å; T29-V36 WeakPolarHBondContact O-CA 3.36Å; T29-K37 PolarHBondContact N-O 3.4Å; T29-K37 PolarHBondContact O-N 3.05Å; T29-W39 PolarHBondContact OG1-NE1 2.85Å; T29-W39 VanDerWaalsContact OG1-NE1 3.12Å
30C97.8Very high95.8Very high0 Ų040 Ų400%019%0.186CC..EExtended strand (participates in β ladder)trans-135.3148.8178.375.40000112.2I15 H16 D17 V36 V60 V63I15-C30 WeakPolarHBondContact CA-O 3.43Å; I15-C30 WeakPolarHBondContact CG2-O 3.37Å; H16-C30 PolarHBondContact N-O 3.47Å; D17-C30 VanDerWaalsContact CB-SG 3.55Å; D17-C30 PolarHBondContact O-N 2.93Å; C30-V36 HydrophobicContact CB-CG2 3.98Å; C30-V60 HydrophobicContact CB-CB 3.81Å; C30-V60 HydrophobicContact CB-CG1 3.56Å; C30-V63 HydrophobicContact CB-CB 4.15Å; C30-V63 HydrophobicContact CB-CG1 4.19Å
31S98.1Very high95.5Very high0 Ų039 Ų390%019%0.185CC..EExtended strand (participates in β ladder)trans-143.2163.1-166.9169.80000113.9H11 D13 L14 D33 Q34 S35 V60H11-S31 VanDerWaalsContact ND1-CB 3.28Å; H11-S31 WeakPolarHBondContact ND1-CB 3.39Å; D13-S31 PolarHBondContact O-OG 3.15Å; L14-S31 CarbonylContact O-C 3.54Å; L14-S31 WeakPolarHBondContact O-CA 3.46Å; L14-S31 WeakPolarHBondContact O-CB 3.16Å; L14-S31 PolarHBondContact O-OG 2.76Å; S31-D33 WeakPolarHBondContact CB-OD1 3.27Å; S31-D33 PolarHBondContact O-N 2.89Å; S31-D33 PolarHBondContact OG-N 2.92Å; S31-D33 VanDerWaalsContact OG-N 3.09Å; S31-D33 PolarHBondContact OG-OD1 2.82Å; S31-Q34 PolarHBondContact O-N 2.8Å; S31-S35 PolarHBondContact N-O 2.93Å; S31-V60 PolarHBondContact O-N 2.85Å; S31-V60 VanDerWaalsContact O-N 3.07Å
32S98.1Very high95.2Very high21 Ų2140 Ų4015%0.14719%0.193CC..THydrogen-bonded Turntrans-58.1-19.3165.1-85.30000114.3D13 L14 H16 Q34 S59D13-S32 WeakPolarHBondContact OD2-CB 3.48Å; L14-S32 PolarHBondContact O-N 2.95Å; H16-S32 PolarHBondContact NE2-OG 2.98Å; S32-Q34 PolarHBondContact O-N 3.26Å; S32-S59 PolarHBondContact OG-OG 3.44Å; S32-S59 VanDerWaalsContact OG-OG 3.08Å
33D97.2Very high94.9Very high27 Ų2743.8 Ų43.814%0.14421%0.213CC..THydrogen-bonded Turntrans-71.95.8174.972.410000114.1H11 K12 D13 S31 S35H11-D33 VanDerWaalsContact CA-OD2 3.28Å; H11-D33 WeakPolarHBondContact CA-OD2 3.01Å; H11-D33 WeakPolarHBondContact CB-OD2 3.4Å; H11-D33 IonicContact CG-OD2 3.72Å; H11-D33 IonicContact ND1-OD1 3.52Å; H11-D33 PolarHBondContact ND1-OD1 2.94Å; H11-D33 IonicContact ND1-OD2 3.15Å; H11-D33 PolarHBondContact ND1-OD2 2.97Å; K12-D33 HydrophobicContact CB-CB 3.93Å; K12-D33 PolarHBondContact N-OD2 3.06Å; D13-D33 HydrophobicContact CB-CB 4.05Å; S31-D33 WeakPolarHBondContact CB-OD1 3.27Å; S31-D33 PolarHBondContact O-N 2.89Å; S31-D33 PolarHBondContact OG-N 2.92Å; S31-D33 VanDerWaalsContact OG-N 3.09Å; S31-D33 PolarHBondContact OG-OD1 2.82Å; D33-S35 VanDerWaalsContact CG-OG 3.23Å; D33-S35 PolarHBondContact O-N 3.34Å; D33-S35 VanDerWaalsContact OD1-CB 3.28Å; D33-S35 WeakPolarHBondContact OD1-CB 3.38Å; D33-S35 PolarHBondContact OD1-N 3.44Å; D33-S35 PolarHBondContact OD1-OG 2.82Å; D33-S35 PolarHBondContact OD2-OG 3.08Å
34Q97.7Very high94.6Very high66 Ų6642.9 Ų42.931%0.30821%0.211SC..SBendtrans70.615.2176.4-46.5168.9-3.400113.4S31 S32 K54 T55 H56 S57S31-Q34 PolarHBondContact O-N 2.8Å; S32-Q34 PolarHBondContact O-N 3.26Å; Q34-K54 WeakPolarHBondContact O-CA 3.14Å; Q34-T55 PolarHBondContact O-N 2.97Å; Q34-T55 PolarHBondContact O-OG1 3.15Å; Q34-H56 WeakPolarHBondContact CB-O 3.43Å; Q34-S57 PolarHBondContact NE2-O 2.8Å
35S96.2Very high94.2Very high9 Ų942.7 Ų42.76%0.06321%0.21CC..EExtended strand (participates in β ladder)trans-112.3154.1-179.476.30000113.2H11 S31 D33 W53H11-S35 PolarHBondContact CE1-OG 2.84Å; H11-S35 PolarHBondContact ND1-OG 3.29Å; S31-S35 PolarHBondContact N-O 2.93Å; D33-S35 VanDerWaalsContact CG-OG 3.23Å; D33-S35 PolarHBondContact O-N 3.34Å; D33-S35 VanDerWaalsContact OD1-CB 3.28Å; D33-S35 WeakPolarHBondContact OD1-CB 3.38Å; D33-S35 PolarHBondContact OD1-N 3.44Å; D33-S35 PolarHBondContact OD1-OG 2.82Å; D33-S35 PolarHBondContact OD2-OG 3.08Å; S35-W53 WeakPolarHBondContact CA-O 3.25Å; S35-W53 VanDerWaalsContact CB-O 3.25Å; S35-W53 WeakPolarHBondContact CB-O 3.44Å
36V97.4Very high93.9Very high2 Ų238.5 Ų38.51%0.01220%0.198CC..EExtended strand (participates in β ladder)trans-113.4138.5163.1172.20000107.3T29 C30 W53 T55 V60 V63T29-V36 VanDerWaalsContact O-CA 3.32Å; T29-V36 WeakPolarHBondContact O-CA 3.36Å; C30-V36 HydrophobicContact CB-CG2 3.98Å; V36-W53 HydrophobicContact CB-CH2 4.27Å; V36-W53 HydrophobicContact CB-CZ2 4.08Å; V36-W53 HydrophobicContact CG1-CH2 3.75Å; V36-W53 HydrophobicContact CG1-CZ2 3.92Å; V36-W53 HydrophobicContact CG1-CZ3 4.33Å; V36-W53 PolarHBondContact N-O 2.91Å; V36-W53 PolarHBondContact O-N 3.36Å; V36-W53 VanDerWaalsContact O-N 3.1Å; V36-T55 HydrophobicContact CB-CG2 3.68Å; V36-T55 HydrophobicContact CG2-CG2 3.55Å; V36-V60 HydrophobicContact CG2-CG1 4.1Å; V36-V63 HydrophobicContact CG1-CG2 4.37Å
37K95.8Very high93.8Very high20 Ų2039.8 Ų39.89%0.08720%0.203CC..EExtended strand (participates in β ladder)trans-119.4144.5171.4-64.4175.1-177.9-85.90109.8A9 D10 A28 T29 W39 A51 S52A9-K37 VanDerWaalsContact O-CD 3.24Å; A9-K37 WeakPolarHBondContact O-CD 3.48Å; A9-K37 VanDerWaalsContact O-CE 3.28Å; A9-K37 WeakPolarHBondContact O-CE 3.4Å; D10-K37 WeakPolarHBondContact O-CE 3.38Å; D10-K37 PolarHBondContact O-NZ 2.76Å; A28-K37 CarbonylContact C-O 3.57Å; A28-K37 VanDerWaalsContact CA-O 3.31Å; A28-K37 WeakPolarHBondContact CA-O 3.48Å; T29-K37 PolarHBondContact N-O 3.4Å; T29-K37 PolarHBondContact O-N 3.05Å; K37-W39 HydrophobicContact CB-CZ2 4.32Å; K37-W39 HydrophobicContact CD-CZ2 3.8Å; K37-A51 CarbonylContact C-O 3.59Å; K37-A51 WeakPolarHBondContact CA-O 3.24Å; K37-S52 PolarHBondContact NZ-OG 3.22Å; K37-S52 VanDerWaalsContact NZ-OG 3.11Å
38V95.6Very high93.6Very high0 Ų044.3 Ų44.30%022%0.224CC..EExtended strand (participates in β ladder)trans-116.7136.2173.5175.70000108.3M27 A28 C49 T50 A51 W53 W65 L74 W103M27-V38 WeakPolarHBondContact O-CA 3.44Å; A28-V38 HydrophobicContact CB-CG2 4.42Å; V38-C49 CarbonylContact O-C 3.57Å; V38-T50 PolarHBondContact O-N 2.81Å; V38-T50 PolarHBondContact O-OG1 3.26Å; V38-A51 HydrophobicContact CB-CB 4.33Å; V38-A51 PolarHBondContact N-O 2.83Å; V38-A51 PolarHBondContact O-N 2.78Å; V38-W53 HydrophobicContact CB-CZ3 4.45Å; V38-W53 HydrophobicContact CG2-CH2 3.66Å; V38-W53 HydrophobicContact CG2-CZ3 3.76Å; V38-W65 HydrophobicContact CG1-CH2 3.96Å; V38-W65 HydrophobicContact CG1-CZ2 4.17Å; V38-L74 HydrophobicContact CG2-CD1 3.67Å; V38-W103 HydrophobicContact CG1-CZ2 4.23Å; V38-W103 HydrophobicContact CG2-CZ2 3.86Å
39W94.4Very high93.3Very high11 Ų1146.6 Ų46.64%0.04224%0.239CC..EExtended strand (participates in β ladder)trans-126134.9-177.1-47.272.1000109.4A8 A9 R26 M27 T29 K37 W47 Q48 C49A8-W39 WeakPolarHBondContact O-CH2 3.49Å; A9-W39 HydrophobicContact CB-CZ2 4.27Å; A9-W39 VanDerWaalsContact O-CZ2 3.25Å; A9-W39 WeakPolarHBondContact O-CZ2 3.49Å; R26-W39 CarbonylContact C-O 3.54Å; R26-W39 VanDerWaalsContact CA-O 3.23Å; R26-W39 WeakPolarHBondContact CA-O 3.39Å; M27-W39 HydrophobicContact CG-CB 3.58Å; M27-W39 HydrophobicContact CG-CG 3.94Å; M27-W39 PolarHBondContact N-O 2.87Å; M27-W39 PolarHBondContact O-N 2.83Å; M27-W39 HydrophobicContact SD-CB 4.27Å; M27-W39 HydrophobicContact SD-CG 4.41Å; T29-W39 PolarHBondContact OG1-NE1 2.85Å; T29-W39 VanDerWaalsContact OG1-NE1 3.12Å; K37-W39 HydrophobicContact CB-CZ2 4.32Å; K37-W39 HydrophobicContact CD-CZ2 3.8Å; W39-W47 HydrophobicContact CB-CE3 3.89Å; W39-W47 WeakPolarHBondContact O-CZ3 3.29Å; W39-Q48 CarbonylContact C-O 3.5Å; W39-Q48 WeakPolarHBondContact CA-O 3.45Å; W39-C49 HydrophobicContact CD2-CB 4.06Å; W39-C49 HydrophobicContact CE3-CB 3.68Å; W39-C49 HydrophobicContact CH2-CB 3.81Å; W39-C49 HydrophobicContact CZ2-CB 4.2Å; W39-C49 HydrophobicContact CZ3-CB 3.56Å
40D92.4Very high93Very high43 Ų4347.2 Ų47.223%0.2324%0.243CC..EExtended strand (participates in β ladder)trans-110.2139.8176.6-63.7-30000109.7R26 Q48 T50R26-D40 WeakPolarHBondContact CD-OD1 3.33Å; R26-D40 VanDerWaalsContact CG-OD1 3.25Å; R26-D40 WeakPolarHBondContact CG-OD1 3.1Å; R26-D40 IonicContact CZ-OD1 3.49Å; R26-D40 IonicContact NE-OD1 3.72Å; R26-D40 PolarHBondContact NE-OD1 3.27Å; R26-D40 IonicContact NH2-OD1 3.39Å; R26-D40 IonicContact NH2-OD2 2.63Å; D40-Q48 PolarHBondContact N-O 3.03Å; D40-Q48 PolarHBondContact O-N 2.91Å; D40-T50 HydrophobicContact CB-CG2 3.81Å; D40-T50 VanDerWaalsContact CG-OG1 3.27Å; D40-T50 VanDerWaalsContact OD2-CB 3.3Å; D40-T50 WeakPolarHBondContact OD2-CB 3.34Å; D40-T50 WeakPolarHBondContact OD2-CG2 3.33Å; D40-T50 PolarHBondContact OD2-OG1 2.87Å
41K91.7Very high92.7Very high103 Ų10347.5 Ų47.545%0.44825%0.246SC..EExtended strand (participates in β ladder)trans-88.1114.8177-168177.7-176.3177.10109.6R25 E46 W47R25-K41 VanDerWaalsContact O-CB 3.23Å; R25-K41 WeakPolarHBondContact O-CB 3.3Å; R25-K41 PolarHBondContact O-N 3.26Å; K41-E46 CarbonylContact C-O 3.57Å; K41-E46 WeakPolarHBondContact CA-O 3.33Å; K41-W47 HydrophobicContact CB-CD2 4.19Å; K41-W47 HydrophobicContact CB-CE3 3.94Å; K41-W47 HydrophobicContact CB-CH2 3.86Å; K41-W47 HydrophobicContact CB-CZ2 4.09Å; K41-W47 HydrophobicContact CB-CZ3 3.78Å; K41-W47 HydrophobicContact CD-CH2 4.33Å; K41-W47 HydrophobicContact CD-CZ2 3.89Å; K41-W47 HydrophobicContact CG-CD2 4.45Å; K41-W47 HydrophobicContact CG-CZ2 4.26Å
42S88.8Confident92.4Very high36 Ų3650.7 Ų50.725%0.25227%0.268SS..  trans-71.9164.8175.443.30000112N44 G45 E46S42-N44 WeakPolarHBondContact CB-OD1 3.47Å; S42-N44 PolarHBondContact O-N 3.3Å; S42-N44 PolarHBondContact OG-OD1 2.65Å; S42-G45 WeakPolarHBondContact O-CA 3.25Å; S42-G45 PolarHBondContact O-N 2.95Å; S42-E46 PolarHBondContact N-O 3.1Å; S42-E46 PolarHBondContact OG-O 3.39Å
43E87.5Confident92.3Very high214 Ų21451.6 Ų51.6100%127%0.268SS*.THydrogen-bonded Turntrans-59.3-29.3-179-62.8-176.9171.200113.1G45E43-G45 PolarHBondContact O-N 3.4Å
44N85.4Confident92.2Very high96 Ų9657.9 Ų57.951%0.51329%0.294SS..THydrogen-bonded Turntrans-75-2174.369.6-3.8000113.6S42 E46S42-N44 WeakPolarHBondContact CB-OD1 3.47Å; S42-N44 PolarHBondContact O-N 3.3Å; S42-N44 PolarHBondContact OG-OD1 2.65Å; N44-E46 VanDerWaalsContact ND2-CD 3.31Å; N44-E46 PolarHBondContact ND2-OE2 3.15Å; N44-E46 WeakPolarHBondContact OD1-CB 3.43Å; N44-E46 PolarHBondContact OD1-N 2.77Å
45G84.8Confident92Very high30 Ų3055 Ų5531%0.30928%0.281SS..SBendtrans82.39.8179.100000115.4S42 E43S42-G45 WeakPolarHBondContact O-CA 3.25Å; S42-G45 PolarHBondContact O-N 2.95Å; E43-G45 PolarHBondContact O-N 3.4Å
46E88.4Confident92.1Very high91 Ų9155.3 Ų55.343%0.42528%0.282SS..  trans-85.3151.6174.5-63.1177.8161.600111.5K41 S42 N44K41-E46 CarbonylContact C-O 3.57Å; K41-E46 WeakPolarHBondContact CA-O 3.33Å; S42-E46 PolarHBondContact N-O 3.1Å; S42-E46 PolarHBondContact OG-O 3.39Å; N44-E46 VanDerWaalsContact ND2-CD 3.31Å; N44-E46 PolarHBondContact ND2-OE2 3.15Å; N44-E46 WeakPolarHBondContact OD1-CB 3.43Å; N44-E46 PolarHBondContact OD1-N 2.77Å
47W91.8Very high92Very high49 Ų4959.6 Ų59.619%0.18631%0.312CS..EExtended strand (participates in β ladder)trans-99.8130.5175.8-70.598.2000109.7I7 Y20 R25 M27 W39 K41I7-W47 HydrophobicContact CD1-CB 3.99Å; I7-W47 HydrophobicContact CD1-CG 4.12Å; I7-W47 HydrophobicContact CG2-CB 4.23Å; Y20-W47 HydrophobicContact CD1-CH2 4.12Å; Y20-W47 AromaticContact CE1-CH2 3.59Å; Y20-W47 HydrophobicContact CE1-CH2 3.59Å; Y20-W47 AromaticContact CE1-CZ2 3.6Å; Y20-W47 HydrophobicContact CE1-CZ2 3.6Å; R25-W47 WeakPolarHBondContact O-CZ3 3.29Å; M27-W47 HydrophobicContact CB-CH2 4.23Å; M27-W47 HydrophobicContact CB-CZ3 4.05Å; M27-W47 HydrophobicContact CG-CD2 4.37Å; M27-W47 HydrophobicContact CG-CE3 3.71Å; M27-W47 HydrophobicContact CG-CH2 4.07Å; M27-W47 HydrophobicContact CG-CZ3 3.53Å; M27-W47 HydrophobicContact SD-CD2 3.73Å; M27-W47 HydrophobicContact SD-CE3 3.69Å; M27-W47 HydrophobicContact SD-CG 4.32Å; M27-W47 HydrophobicContact SD-CH2 4.18Å; M27-W47 HydrophobicContact SD-CZ2 4.23Å; M27-W47 HydrophobicContact SD-CZ3 3.92Å; W39-W47 HydrophobicContact CB-CE3 3.89Å; W39-W47 WeakPolarHBondContact O-CZ3 3.29Å; K41-W47 HydrophobicContact CB-CD2 4.19Å; K41-W47 HydrophobicContact CB-CE3 3.94Å; K41-W47 HydrophobicContact CB-CH2 3.86Å; K41-W47 HydrophobicContact CB-CZ2 4.09Å; K41-W47 HydrophobicContact CB-CZ3 3.78Å; K41-W47 HydrophobicContact CD-CH2 4.33Å; K41-W47 HydrophobicContact CD-CZ2 3.89Å; K41-W47 HydrophobicContact CG-CD2 4.45Å; K41-W47 HydrophobicContact CG-CZ2 4.26Å
48Q91.1Very high92Very high107 Ų10759.4 Ų59.450%0.532%0.315SS..EExtended strand (participates in β ladder)trans-124.8132.8178.7-62.5-175.3-4.900109.9W39 D40 T50W39-Q48 CarbonylContact C-O 3.5Å; W39-Q48 WeakPolarHBondContact CA-O 3.45Å; D40-Q48 PolarHBondContact N-O 3.03Å; D40-Q48 PolarHBondContact O-N 2.91Å; Q48-T50 PolarHBondContact O-N 3.12Å
49C91.6Very high92.1Very high48 Ų4860.8 Ų60.832%0.32433%0.325SS..EExtended strand (participates in β ladder)trans-72.1111176.3-177.10000109.4V38 W39 A51V38-C49 CarbonylContact O-C 3.57Å; W39-C49 HydrophobicContact CD2-CB 4.06Å; W39-C49 HydrophobicContact CE3-CB 3.68Å; W39-C49 HydrophobicContact CH2-CB 3.81Å; W39-C49 HydrophobicContact CZ2-CB 4.2Å; W39-C49 HydrophobicContact CZ3-CB 3.56Å; C49-A51 PolarHBondContact SG-O 2.78Å; C49-A51 VanDerWaalsContact SG-O 3.39Å
50T90.8Very high92.3Very high19 Ų1960.3 Ų60.312%0.11732%0.323CS..EExtended strand (participates in β ladder)trans-100.4-14.9-179.153.80000113.3V38 D40 Q48 L100 S101V38-T50 PolarHBondContact O-N 2.81Å; V38-T50 PolarHBondContact O-OG1 3.26Å; D40-T50 HydrophobicContact CB-CG2 3.81Å; D40-T50 VanDerWaalsContact CG-OG1 3.27Å; D40-T50 VanDerWaalsContact OD2-CB 3.3Å; D40-T50 WeakPolarHBondContact OD2-CB 3.34Å; D40-T50 WeakPolarHBondContact OD2-CG2 3.33Å; D40-T50 PolarHBondContact OD2-OG1 2.87Å; Q48-T50 PolarHBondContact O-N 3.12Å; T50-L100 VanDerWaalsContact O-CA 3.31Å; T50-L100 WeakPolarHBondContact O-CA 3.3Å; T50-L100 WeakPolarHBondContact O-CD2 3.46Å; T50-S101 PolarHBondContact O-N 3.25Å; T50-S101 PolarHBondContact O-OG 2.77Å
51A91Very high92.6Very high6 Ų661.4 Ų61.45%0.0532%0.324CS..EExtended strand (participates in β ladder)trans-151.3148.1167.600000112.3K37 V38 C49 W53 S101 W103K37-A51 CarbonylContact C-O 3.59Å; K37-A51 WeakPolarHBondContact CA-O 3.24Å; V38-A51 HydrophobicContact CB-CB 4.33Å; V38-A51 PolarHBondContact N-O 2.83Å; V38-A51 PolarHBondContact O-N 2.78Å; C49-A51 PolarHBondContact SG-O 2.78Å; C49-A51 VanDerWaalsContact SG-O 3.39Å; A51-W53 HydrophobicContact CB-CE3 3.85Å; A51-W53 HydrophobicContact CB-CZ3 3.62Å; A51-S101 WeakPolarHBondContact CB-OG 3.3Å; A51-W103 VanDerWaalsContact CB-CD1 3.5Å
52S93.1Very high92.9Very high67 Ų6757.1 Ų57.147%0.46931%0.305SS..EExtended strand (participates in β ladder)trans-149.5117.5175.91800000108.5K37K37-S52 PolarHBondContact NZ-OG 3.22Å; K37-S52 VanDerWaalsContact NZ-OG 3.11Å
53W94.9Very high93.3Very high40 Ų4055.4 Ų55.415%0.15229%0.293CS..EExtended strand (participates in β ladder)trans-146.3154.3-179.268.8104.7000112S35 V36 V38 A51 T55 L74 W86 W103S35-W53 WeakPolarHBondContact CA-O 3.25Å; S35-W53 VanDerWaalsContact CB-O 3.25Å; S35-W53 WeakPolarHBondContact CB-O 3.44Å; V36-W53 HydrophobicContact CB-CH2 4.27Å; V36-W53 HydrophobicContact CB-CZ2 4.08Å; V36-W53 HydrophobicContact CG1-CH2 3.75Å; V36-W53 HydrophobicContact CG1-CZ2 3.92Å; V36-W53 HydrophobicContact CG1-CZ3 4.33Å; V36-W53 PolarHBondContact N-O 2.91Å; V36-W53 PolarHBondContact O-N 3.36Å; V36-W53 VanDerWaalsContact O-N 3.1Å; V38-W53 HydrophobicContact CB-CZ3 4.45Å; V38-W53 HydrophobicContact CG2-CH2 3.66Å; V38-W53 HydrophobicContact CG2-CZ3 3.76Å; A51-W53 HydrophobicContact CB-CE3 3.85Å; A51-W53 HydrophobicContact CB-CZ3 3.62Å; W53-T55 HydrophobicContact CG-CG2 4.38Å; W53-T55 HydrophobicContact CZ2-CG2 4.48Å; W53-T55 VanDerWaalsContact NE1-CG2 3.27Å; W53-L74 HydrophobicContact CH2-CD1 4.26Å; W53-W86 AromaticContact CD1-CH2 3.64Å; W53-W86 AromaticContact CD1-CZ3 3.46Å; W53-W86 VanDerWaalsContact CD1-CZ3 3.46Å; W53-W86 HydrophobicContact CZ2-CD2 4.27Å; W53-W86 HydrophobicContact CZ2-CE3 4.41Å; W53-W86 HydrophobicContact CZ2-CG 4.34Å; W53-W86 AromaticContact NE1-CD2 3.57Å; W53-W86 AromaticContact NE1-CE2 3.81Å; W53-W86 AromaticContact NE1-CE3 3.19Å; W53-W86 AromaticContact NE1-CH2 3.37Å; W53-W86 AromaticContact NE1-CZ2 3.77Å; W53-W86 AromaticContact NE1-CZ3 3.07Å; W53-W103 HydrophobicContact CD2-CB 4.13Å; W53-W103 HydrophobicContact CE3-CB 4.21Å; W53-W103 HydrophobicContact CE3-CG 4.24Å; W53-W103 HydrophobicContact CH2-CB 3.75Å; W53-W103 AromaticContact CH2-CD1 3.61Å; W53-W103 AromaticContact CH2-CD2 3.63Å; W53-W103 HydrophobicContact CH2-CD2 3.63Å; W53-W103 HydrophobicContact CH2-CE3 4.31Å; W53-W103 AromaticContact CH2-CG 3.34Å; W53-W103 HydrophobicContact CH2-CG 3.34Å; W53-W103 AromaticContact CH2-NE1 4Å; W53-W103 HydrophobicContact CZ2-CB 3.62Å; W53-W103 HydrophobicContact CZ2-CD2 4.09Å; W53-W103 HydrophobicContact CZ2-CE3 4.46Å; W53-W103 AromaticContact CZ2-CG 3.73Å; W53-W103 HydrophobicContact CZ2-CG 3.73Å; W53-W103 HydrophobicContact CZ3-CB 4.04Å; W53-W103 AromaticContact CZ3-CD1 3.45Å; W53-W103 VanDerWaalsContact CZ3-CD1 3.45Å; W53-W103 HydrophobicContact CZ3-CD2 4.27Å; W53-W103 AromaticContact CZ3-CG 3.63Å; W53-W103 HydrophobicContact CZ3-CG 3.63Å; W53-W103 AromaticContact CZ3-NE1 3.96Å
54K95.1Very high93.8Very high159 Ų15945.9 Ų45.969%0.69125%0.25SC*.EExtended strand (participates in β ladder)trans-77.5129.8172.2-72.5-168.8172.8-167.60109.8Q34Q34-K54 WeakPolarHBondContact O-CA 3.14Å
55T94.8Very high94.4Very high6 Ų642.3 Ų42.34%0.03723%0.229CC..  trans-109.4-44.7-171.450.30000113.2Q34 V36 W53 V60 W86 K105Q34-T55 PolarHBondContact O-N 2.97Å; Q34-T55 PolarHBondContact O-OG1 3.15Å; V36-T55 HydrophobicContact CB-CG2 3.68Å; V36-T55 HydrophobicContact CG2-CG2 3.55Å; W53-T55 HydrophobicContact CG-CG2 4.38Å; W53-T55 HydrophobicContact CZ2-CG2 4.48Å; W53-T55 VanDerWaalsContact NE1-CG2 3.27Å; T55-V60 VanDerWaalsContact OG1-CG2 3.24Å; T55-V60 WeakPolarHBondContact OG1-CG2 3.03Å; T55-W86 VanDerWaalsContact CB-CZ2 3.45Å; T55-W86 HydrophobicContact CG2-CH2 3.92Å; T55-W86 HydrophobicContact CG2-CZ2 3.46Å; T55-W86 VanDerWaalsContact CG2-CZ2 3.46Å; T55-K105 PolarHBondContact O-NZ 2.97Å
56H96.6Very high95.1Very high15 Ų1541.2 Ų41.27%0.06922%0.217CC..  trans-128.6170.4-168.4-73.5-79.8000111.5Q34 V60 S76 S78 D80 T82Q34-H56 WeakPolarHBondContact CB-O 3.43Å; H56-V60 HydrophobicContact CB-CG2 4.25Å; H56-S76 PolarHBondContact NE2-OG 3.26Å; H56-S78 WeakPolarHBondContact ND1-CB 3.34Å; H56-D80 VanDerWaalsContact CB-OD2 3.28Å; H56-D80 WeakPolarHBondContact CB-OD2 3.33Å; H56-D80 IonicContact CG-OD2 3.21Å; H56-D80 IonicContact ND1-OD1 3.62Å; H56-D80 PolarHBondContact ND1-OD1 3.18Å; H56-D80 IonicContact ND1-OD2 3.01Å; H56-D80 PolarHBondContact ND1-OD2 2.88Å; H56-T82 PolarHBondContact CE1-OG1 2.8Å; H56-T82 PolarHBondContact ND1-OG1 2.9Å; H56-T82 VanDerWaalsContact ND1-OG1 3.08Å
57S96.6Very high95.4Very high92 Ų9238.6 Ų38.664%0.64321%0.205SC*.SBendtrans-94.2-8175.261.70000113.4Q34 D80Q34-S57 PolarHBondContact NE2-O 2.8Å; S57-D80 PolarHBondContact N-OD2 3.45Å; S57-D80 VanDerWaalsContact OG-CB 3.23Å; S57-D80 WeakPolarHBondContact OG-CB 3.49Å; S57-D80 PolarHBondContact OG-OD2 3.19Å; S57-D80 VanDerWaalsContact OG-OD2 3.06Å
58G96.5Very high95.6Very high15 Ų1538.2 Ų38.216%0.15521%0.208CC..SBendtrans-131.5179.7175.100000111.5V60 S78G58-V60 PolarHBondContact O-N 2.78Å; G58-S78 PolarHBondContact O-OG 2.83Å
59S97.7Very high95.8Very high30 Ų3039.2 Ų39.221%0.2121%0.213CC..  trans-59.4131.8-179.5-51.10000111.5S32 S78 F79S32-S59 PolarHBondContact OG-OG 3.44Å; S32-S59 VanDerWaalsContact OG-OG 3.08Å; S59-S78 WeakPolarHBondContact O-CA 3.33Å; S59-S78 PolarHBondContact O-OG 2.72Å; S59-S78 VanDerWaalsContact O-OG 3.13Å; S59-F79 PolarHBondContact O-N 3.26Å; S59-F79 VanDerWaalsContact O-N 3.09Å
60V98.4Very high95.9Very high0 Ų038.3 Ų38.30%020%0.204CC..EExtended strand (participates in β ladder)trans-83.1122.5176.1-1650000108.2H16 C30 S31 V36 T55 H56 G58 C77H16-V60 PolarHBondContact CD2-O 3.08Å; C30-V60 HydrophobicContact CB-CB 3.81Å; C30-V60 HydrophobicContact CB-CG1 3.56Å; S31-V60 PolarHBondContact O-N 2.85Å; S31-V60 VanDerWaalsContact O-N 3.07Å; V36-V60 HydrophobicContact CG2-CG1 4.1Å; T55-V60 VanDerWaalsContact OG1-CG2 3.24Å; T55-V60 WeakPolarHBondContact OG1-CG2 3.03Å; H56-V60 HydrophobicContact CB-CG2 4.25Å; G58-V60 PolarHBondContact O-N 2.78Å; V60-C77 CarbonylContact C-O 3.48Å; V60-C77 WeakPolarHBondContact CA-O 3.49Å; V60-C77 WeakPolarHBondContact CG1-O 3.26Å
61W97.3Very high96Very high67 Ų6739.1 Ų39.125%0.25422%0.215SC..EExtended strand (participates in β ladder)trans-103.3-33.3-166.4-166.9-104.9000113.9H16 C77 F79 T117H16-W61 HydrophobicContact CB-CE3 4.2Å; H16-W61 WeakPolarHBondContact CB-O 3.22Å; H16-W61 AromaticContact CD2-CE3 3.93Å; H16-W61 AromaticContact CE1-CE3 3.75Å; H16-W61 AromaticContact CE1-CZ3 3.36Å; H16-W61 WeakPolarHBondContact CE1-CZ3 3.49Å; H16-W61 AromaticContact CG-CE3 3.58Å; H16-W61 AromaticContact CG-CZ3 3.87Å; H16-W61 AromaticContact ND1-CE3 3.48Å; H16-W61 AromaticContact ND1-CZ3 3.23Å; H16-W61 WeakPolarHBondContact ND1-CZ3 3.41Å; W61-C77 PolarHBondContact N-O 3.06Å; W61-F79 AromaticContact CD2-CE2 3.86Å; W61-F79 HydrophobicContact CD2-CE2 3.86Å; W61-F79 AromaticContact CD2-CZ 3.84Å; W61-F79 HydrophobicContact CD2-CZ 3.84Å; W61-F79 HydrophobicContact CE3-CD2 4.15Å; W61-F79 AromaticContact CE3-CE2 3.21Å; W61-F79 HydrophobicContact CE3-CE2 3.21Å; W61-F79 AromaticContact CE3-CZ 3.61Å; W61-F79 HydrophobicContact CE3-CZ 3.61Å; W61-F79 HydrophobicContact CH2-CE2 4.21Å; W61-F79 HydrophobicContact CH2-CZ 4.05Å; W61-F79 HydrophobicContact CZ2-CZ 4.28Å; W61-F79 AromaticContact CZ3-CE2 3.41Å; W61-F79 HydrophobicContact CZ3-CE2 3.41Å; W61-F79 VanDerWaalsContact CZ3-CE2 3.41Å; W61-F79 AromaticContact CZ3-CZ 3.71Å; W61-F79 HydrophobicContact CZ3-CZ 3.71Å; W61-T117 PolarHBondContact NE1-O 3.3Å
62R98.1Very high96.1Very high12 Ų1241.8 Ų41.85%0.04523%0.227CC..EExtended strand (participates in β ladder)trans-141.1151.8175.7-63.6-72.2-171.9-85.3-2.3111.3D17 S76 C77 D118 V119D17-R62 VanDerWaalsContact CG-CD 3.47Å; D17-R62 WeakPolarHBondContact OD2-CA 3.29Å; D17-R62 WeakPolarHBondContact OD2-CD 3.42Å; R62-S76 WeakPolarHBondContact O-CA 3.11Å; R62-C77 PolarHBondContact O-N 2.86Å; R62-C77 VanDerWaalsContact O-N 3.09Å; R62-D118 HydrophobicContact CG-CB 4.39Å; R62-D118 WeakPolarHBondContact CG-OD1 3.47Å; R62-D118 IonicContact NE-OD1 3.58Å; R62-V119 HydrophobicContact CB-CG1 4.02Å
63V98.4Very high96.3Very high0 Ų038.6 Ų38.60%021%0.205CC..EExtended strand (participates in β ladder)trans-138.4141.4174.465.10000109.6D17 S19 A28 C30 V36 L74 A75D17-V63 HydrophobicContact CB-CG1 4.4Å; D17-V63 PolarHBondContact OD2-N 3.42Å; S19-V63 WeakPolarHBondContact CB-O 3.39Å; A28-V63 HydrophobicContact CB-CG1 4.1Å; A28-V63 HydrophobicContact CB-CG2 3.74Å; C30-V63 HydrophobicContact CB-CB 4.15Å; C30-V63 HydrophobicContact CB-CG1 4.19Å; V36-V63 HydrophobicContact CG1-CG2 4.37Å; V63-L74 HydrophobicContact CG2-CD2 4.07Å; V63-A75 CarbonylContact C-O 3.59Å; V63-A75 WeakPolarHBondContact CA-O 3.44Å
64T98.3Very high96.4Very high15 Ų1536.8 Ų36.89%0.09220%0.198CC..EExtended strand (participates in β ladder)trans-147.9146.2-177.7-170.60000111.9L74 A75 V119 F121T64-L74 WeakPolarHBondContact O-CA 3.36Å; T64-L74 WeakPolarHBondContact O-CD2 3.38Å; T64-A75 HydrophobicContact CG2-CB 3.89Å; T64-A75 PolarHBondContact N-O 3.19Å; T64-A75 PolarHBondContact O-N 2.85Å; T64-V119 HydrophobicContact CG2-CG1 4.26Å; T64-V119 HydrophobicContact CG2-CG2 4.35Å; T64-V119 WeakPolarHBondContact CG2-O 3.2Å; T64-F121 HydrophobicContact CG2-CD2 3.62Å; T64-F121 HydrophobicContact CG2-CE2 3.88Å
65W98.1Very high96.6Very high21 Ų2129.2 Ų29.28%0.0817%0.165CC..EExtended strand (participates in β ladder)trans-93.5138.8177.1-6786.3000110.7S19 D21 R26 A28 V38 L74 W103 F121S19-W65 PolarHBondContact O-NE1 2.93Å; D21-W65 HydrophobicContact CB-CD2 3.95Å; D21-W65 HydrophobicContact CB-CE3 4.14Å; D21-W65 HydrophobicContact CB-CG 4.3Å; R26-W65 HydrophobicContact CB-CH2 4.08Å; R26-W65 HydrophobicContact CB-CZ2 4.06Å; A28-W65 HydrophobicContact CB-CZ2 3.92Å; V38-W65 HydrophobicContact CG1-CH2 3.96Å; V38-W65 HydrophobicContact CG1-CZ2 4.17Å; W65-L74 HydrophobicContact CB-CD2 4.35Å; W65-L74 HydrophobicContact CD2-CD2 3.34Å; W65-L74 HydrophobicContact CD2-CG 4.08Å; W65-L74 VanDerWaalsContact CE2-CD2 3.49Å; W65-L74 HydrophobicContact CE3-CD2 3.76Å; W65-L74 HydrophobicContact CE3-CG 3.99Å; W65-L74 HydrophobicContact CG-CD2 3.6Å; W65-L74 HydrophobicContact CH2-CD1 4.16Å; W65-L74 HydrophobicContact CH2-CD2 4.37Å; W65-L74 HydrophobicContact CH2-CG 4.3Å; W65-L74 HydrophobicContact CZ2-CD1 4.19Å; W65-L74 HydrophobicContact CZ2-CD2 4.02Å; W65-L74 HydrophobicContact CZ2-CG 4.38Å; W65-L74 HydrophobicContact CZ3-CD1 4.43Å; W65-L74 HydrophobicContact CZ3-CD2 4.27Å; W65-L74 HydrophobicContact CZ3-CG 4.12Å; W65-W103 HydrophobicContact CE3-CH2 4.49Å; W65-W103 AromaticContact CH2-CH2 3.89Å; W65-W103 HydrophobicContact CH2-CH2 3.89Å; W65-W103 AromaticContact CH2-CZ2 3.88Å; W65-W103 HydrophobicContact CH2-CZ2 3.88Å; W65-W103 AromaticContact CZ3-CH2 3.63Å; W65-W103 HydrophobicContact CZ3-CH2 3.63Å; W65-W103 HydrophobicContact CZ3-CZ2 4.06Å; W65-F121 WeakPolarHBondContact O-CD2 3.05Å
66A97.7Very high96.8Very high7 Ų729 Ų296%0.05816%0.163CC..PPolyproline II helixtrans-73.2163.8166.500000110.3V73 F121 L128A66-V73 HydrophobicContact CB-CB 3.77Å; A66-V73 HydrophobicContact CB-CG1 4.33Å; A66-V73 PolarHBondContact N-O 2.81Å; A66-F121 VanDerWaalsContact CA-CD2 3.49Å; A66-F121 HydrophobicContact CB-CD1 4.07Å; A66-F121 HydrophobicContact CB-CD2 3.92Å; A66-F121 HydrophobicContact CB-CE1 3.98Å; A66-F121 HydrophobicContact CB-CE2 3.8Å; A66-F121 HydrophobicContact CB-CG 4.05Å; A66-F121 HydrophobicContact CB-CZ 3.84Å; A66-F121 VanDerWaalsContact N-CD2 3.32Å; A66-L128 HydrophobicContact CB-CD1 4.33Å
67H96.5Very high96.8Very high36 Ų3628.2 Ų28.217%0.16716%0.16CC..PPolyproline II helixtrans-65.5137.8170.5-174.6-86.3000109.9F22 E69 F70 K124F22-H67 AromaticContact CD2-CD2 3.84Å; F22-H67 AromaticContact CE2-CD2 3.83Å; F22-H67 AromaticContact CE2-NE2 3.75Å; F22-H67 AromaticContact CZ-NE2 3.99Å; H67-E69 IonicContact CE1-OE2 3.55Å; H67-E69 WeakPolarHBondContact ND1-CB 3.46Å; H67-E69 PolarHBondContact ND1-N 2.83Å; H67-E69 IonicContact ND1-OE2 3.37Å; H67-E69 PolarHBondContact O-N 2.88Å; H67-F70 HydrophobicContact CB-CD2 4.16Å; H67-F70 HydrophobicContact CB-CE2 4.22Å; H67-F70 PolarHBondContact O-N 3.01Å; H67-K124 HydrophobicContact CB-CB 3.87Å; H67-K124 VanDerWaalsContact CD2-CD 3.49Å; H67-K124 WeakPolarHBondContact CD2-CD 2.99Å; H67-K124 WeakPolarHBondContact CE1-CD 3.36Å; H67-K124 PolarHBondContact CE1-NZ 2.85Å; H67-K124 WeakPolarHBondContact NE2-CD 3.42Å
68P95Very high96.9Very high41 Ų4123.9 Ų23.927%0.26613%0.13SC..G310 helixtrans-61.1-15.4-17322.3-35.9000115.1F22 F70 G71F22-P68 VanDerWaalsContact CB-CD 3.49Å; F22-P68 HydrophobicContact CB-CG 3.87Å; F22-P68 HydrophobicContact CD1-CG 3.85Å; F22-P68 HydrophobicContact CG-CG 3.9Å; P68-F70 PolarHBondContact O-N 3.1Å; P68-G71 PolarHBondContact O-N 3.32Å
69E94.5Very high96.9Very high127 Ų12727.2 Ų27.259%0.59314%0.14SC*.G310 helixtrans-62.1-23.5172.5-170.3169.9164.400112.9H67 K124H67-E69 IonicContact CE1-OE2 3.55Å; H67-E69 WeakPolarHBondContact ND1-CB 3.46Å; H67-E69 PolarHBondContact ND1-N 2.83Å; H67-E69 IonicContact ND1-OE2 3.37Å; H67-E69 PolarHBondContact O-N 2.88Å; E69-K124 IonicContact OE2-NZ 3.72Å; E69-K124 PolarHBondContact OE2-NZ 2.97Å
70F94.9Very high96.9Very high30 Ų3027 Ų2713%0.13214%0.137CC..G310 helixtrans-97.19.7174.6-51.1-58.7000112.9H67 P68 V73 K124 G127 L128 V147H67-F70 HydrophobicContact CB-CD2 4.16Å; H67-F70 HydrophobicContact CB-CE2 4.22Å; H67-F70 PolarHBondContact O-N 3.01Å; P68-F70 PolarHBondContact O-N 3.1Å; F70-V73 WeakPolarHBondContact O-CG2 3.25Å; F70-K124 HydrophobicContact CE2-CB 4.18Å; F70-K124 HydrophobicContact CZ-CB 4.41Å; F70-G127 VanDerWaalsContact CZ-C 3.41Å; F70-L128 HydrophobicContact CB-CD1 4.15Å; F70-L128 HydrophobicContact CB-CD2 4.23Å; F70-L128 HydrophobicContact CD1-CB 3.99Å; F70-L128 HydrophobicContact CD2-CB 4.27Å; F70-L128 HydrophobicContact CD2-CD1 3.78Å; F70-L128 HydrophobicContact CE1-CB 4.08Å; F70-L128 HydrophobicContact CE2-CB 4.34Å; F70-L128 HydrophobicContact CE2-CD1 4.36Å; F70-L128 HydrophobicContact CG-CB 4.1Å; F70-L128 HydrophobicContact CG-CD1 3.97Å; F70-L128 HydrophobicContact CG-CD2 4.42Å; F70-L128 HydrophobicContact CG-CG 4.38Å; F70-L128 HydrophobicContact CZ-CB 4.25Å; F70-V147 HydrophobicContact CD1-CB 4.38Å; F70-V147 HydrophobicContact CD1-CG1 3.82Å; F70-V147 HydrophobicContact CE1-CG1 4.07Å
71G92.4Very high96.9Very high35 Ų3533.9 Ų33.936%0.36116%0.163SC..  trans88.3-168.4-174.600000113.9P68 V73P68-G71 PolarHBondContact O-N 3.32Å; G71-V73 PolarHBondContact O-N 2.88Å
72Q93.6Very high96.9Very high62 Ų6231.9 Ų31.929%0.2916%0.158SC..SBendtrans-8783.1179.7-65.7-64.4-30.200109.6E87 E88Q72-E87 WeakPolarHBondContact O-CA 3.41Å; Q72-E88 HydrophobicContact CB-CB 3.73Å; Q72-E88 WeakPolarHBondContact CB-OE2 3.43Å; Q72-E88 WeakPolarHBondContact CG-OE2 3.33Å; Q72-E88 PolarHBondContact O-N 2.65Å
73V96.9Very high96.9Very high1 Ų131.3 Ų31.31%0.00616%0.156CC..EExtended strand (participates in β ladder)trans-117.5133.3-174.4-174.50000110.6A66 F70 G71 V85 W86 F121 L150A66-V73 HydrophobicContact CB-CB 3.77Å; A66-V73 HydrophobicContact CB-CG1 4.33Å; A66-V73 PolarHBondContact N-O 2.81Å; F70-V73 WeakPolarHBondContact O-CG2 3.25Å; G71-V73 PolarHBondContact O-N 2.88Å; V73-V85 HydrophobicContact CG1-CG1 3.54Å; V73-W86 CarbonylContact C-O 3.49Å; V73-W86 VanDerWaalsContact CA-O 3.3Å; V73-W86 WeakPolarHBondContact CA-O 3.34Å; V73-W86 WeakPolarHBondContact CG1-O 3.43Å; V73-F121 HydrophobicContact CG1-CZ 3.99Å; V73-L150 HydrophobicContact CG1-CD1 4.32Å; V73-L150 HydrophobicContact CG2-CD1 3.38Å
74L97.8Very high96.9Very high1 Ų131.3 Ų31.31%0.00516%0.156CC..EExtended strand (participates in β ladder)trans-118.5144.7175.2-82.8176.1000110.3A28 V38 W53 V63 T64 W65 V85 W86 W103A28-L74 HydrophobicContact CB-CD1 4.11Å; A28-L74 HydrophobicContact CB-CD2 3.97Å; V38-L74 HydrophobicContact CG2-CD1 3.67Å; W53-L74 HydrophobicContact CH2-CD1 4.26Å; V63-L74 HydrophobicContact CG2-CD2 4.07Å; T64-L74 WeakPolarHBondContact O-CA 3.36Å; T64-L74 WeakPolarHBondContact O-CD2 3.38Å; W65-L74 HydrophobicContact CB-CD2 4.35Å; W65-L74 HydrophobicContact CD2-CD2 3.34Å; W65-L74 HydrophobicContact CD2-CG 4.08Å; W65-L74 VanDerWaalsContact CE2-CD2 3.49Å; W65-L74 HydrophobicContact CE3-CD2 3.76Å; W65-L74 HydrophobicContact CE3-CG 3.99Å; W65-L74 HydrophobicContact CG-CD2 3.6Å; W65-L74 HydrophobicContact CH2-CD1 4.16Å; W65-L74 HydrophobicContact CH2-CD2 4.37Å; W65-L74 HydrophobicContact CH2-CG 4.3Å; W65-L74 HydrophobicContact CZ2-CD1 4.19Å; W65-L74 HydrophobicContact CZ2-CD2 4.02Å; W65-L74 HydrophobicContact CZ2-CG 4.38Å; W65-L74 HydrophobicContact CZ3-CD1 4.43Å; W65-L74 HydrophobicContact CZ3-CD2 4.27Å; W65-L74 HydrophobicContact CZ3-CG 4.12Å; L74-V85 CarbonylContact O-C 3.58Å; L74-V85 WeakPolarHBondContact O-CA 3.33Å; L74-W86 HydrophobicContact CB-CB 4.27Å; L74-W86 PolarHBondContact N-O 2.9Å; L74-W86 PolarHBondContact O-N 2.82Å; L74-W103 HydrophobicContact CB-CE3 4.31Å; L74-W103 HydrophobicContact CB-CH2 4.23Å; L74-W103 HydrophobicContact CB-CZ3 3.69Å; L74-W103 HydrophobicContact CD1-CD2 4.33Å; L74-W103 HydrophobicContact CD1-CE3 3.99Å; L74-W103 HydrophobicContact CD1-CH2 3.36Å; L74-W103 HydrophobicContact CD1-CZ2 3.75Å; L74-W103 HydrophobicContact CD1-CZ3 3.5Å; L74-W103 HydrophobicContact CG-CE3 4.37Å; L74-W103 HydrophobicContact CG-CH2 3.52Å; L74-W103 HydrophobicContact CG-CZ2 4.39Å; L74-W103 HydrophobicContact CG-CZ3 3.52Å
75A98.5Very high96.9Very high0 Ų030.6 Ų30.60%015%0.151CC..EExtended strand (participates in β ladder)trans-119141.1165.700000110.3V63 T64 A84 V119 F121 L130V63-A75 CarbonylContact C-O 3.59Å; V63-A75 WeakPolarHBondContact CA-O 3.44Å; T64-A75 HydrophobicContact CG2-CB 3.89Å; T64-A75 PolarHBondContact N-O 3.19Å; T64-A75 PolarHBondContact O-N 2.85Å; A75-A84 VanDerWaalsContact CA-O 3.3Å; A75-A84 WeakPolarHBondContact CA-O 3.43Å; A75-V119 HydrophobicContact CB-CG2 3.91Å; A75-F121 HydrophobicContact CB-CD2 4.49Å; A75-F121 HydrophobicContact CB-CE2 3.58Å; A75-F121 HydrophobicContact CB-CZ 3.62Å; A75-L130 HydrophobicContact CB-CD1 3.82Å; A75-L130 HydrophobicContact CB-CD2 3.9Å
76S98.5Very high96.9Very high1 Ų130.1 Ų30.11%0.00715%0.15CC..EExtended strand (participates in β ladder)trans-129147.3175.460.90000110.4H56 R62 A83 A84 W86H56-S76 PolarHBondContact NE2-OG 3.26Å; R62-S76 WeakPolarHBondContact O-CA 3.11Å; S76-A83 CarbonylContact O-C 3.54Å; S76-A83 WeakPolarHBondContact O-CA 3.41Å; S76-A84 PolarHBondContact N-O 3.14Å; S76-A84 PolarHBondContact O-N 3.28Å; S76-W86 PolarHBondContact OG-NE1 3.2Å
77C98.3Very high96.8Very high0 Ų032 Ų320%016%0.157CC..EExtended strand (participates in β ladder)trans-127.8156.3173.179.90000111.9V60 W61 R62 A83 V116 V119V60-C77 CarbonylContact C-O 3.48Å; V60-C77 WeakPolarHBondContact CA-O 3.49Å; V60-C77 WeakPolarHBondContact CG1-O 3.26Å; W61-C77 PolarHBondContact N-O 3.06Å; R62-C77 PolarHBondContact O-N 2.86Å; R62-C77 VanDerWaalsContact O-N 3.09Å; C77-A83 HydrophobicContact CB-CB 4.3Å; C77-V116 HydrophobicContact CB-CB 3.89Å; C77-V116 HydrophobicContact CB-CG1 3.51Å; C77-V116 PolarHBondContact SG-O 3.49Å; C77-V116 VanDerWaalsContact SG-O 3.34Å; C77-V119 HydrophobicContact CB-CB 3.91Å; C77-V119 HydrophobicContact CB-CG1 3.68Å
78S98.1Very high96.7Very high0 Ų031.4 Ų31.40%015%0.154CC..EExtended strand (participates in β ladder)trans-143.4157.2-169.3172.10000113.9H56 G58 S59 D80 R81 T82 V116H56-S78 WeakPolarHBondContact ND1-CB 3.34Å; G58-S78 PolarHBondContact O-OG 2.83Å; S59-S78 WeakPolarHBondContact O-CA 3.33Å; S59-S78 PolarHBondContact O-OG 2.72Å; S59-S78 VanDerWaalsContact O-OG 3.13Å; S78-D80 VanDerWaalsContact CB-OD1 3.27Å; S78-D80 WeakPolarHBondContact CB-OD1 3.23Å; S78-D80 PolarHBondContact O-N 3.5Å; S78-D80 PolarHBondContact OG-N 3.21Å; S78-D80 PolarHBondContact OG-OD1 3.38Å; S78-R81 PolarHBondContact O-N 3.5Å; S78-T82 PolarHBondContact N-O 3.01Å; S78-T82 VanDerWaalsContact N-O 3.1Å; S78-V116 PolarHBondContact O-N 2.54Å
79F96.5Very high96.4Very high85 Ų8532.4 Ų32.437%0.37316%0.157SC..THydrogen-bonded Turntrans-62.2-15.3168.2-79.9-58.9000113.3S59 W61 R81 S115S59-F79 PolarHBondContact O-N 3.26Å; S59-F79 VanDerWaalsContact O-N 3.09Å; W61-F79 AromaticContact CD2-CE2 3.86Å; W61-F79 HydrophobicContact CD2-CE2 3.86Å; W61-F79 AromaticContact CD2-CZ 3.84Å; W61-F79 HydrophobicContact CD2-CZ 3.84Å; W61-F79 HydrophobicContact CE3-CD2 4.15Å; W61-F79 AromaticContact CE3-CE2 3.21Å; W61-F79 HydrophobicContact CE3-CE2 3.21Å; W61-F79 AromaticContact CE3-CZ 3.61Å; W61-F79 HydrophobicContact CE3-CZ 3.61Å; W61-F79 HydrophobicContact CH2-CE2 4.21Å; W61-F79 HydrophobicContact CH2-CZ 4.05Å; W61-F79 HydrophobicContact CZ2-CZ 4.28Å; W61-F79 AromaticContact CZ3-CE2 3.41Å; W61-F79 HydrophobicContact CZ3-CE2 3.41Å; W61-F79 VanDerWaalsContact CZ3-CE2 3.41Å; W61-F79 AromaticContact CZ3-CZ 3.71Å; W61-F79 HydrophobicContact CZ3-CZ 3.71Å; F79-R81 PolarHBondContact O-N 3.33Å; F79-R81 VanDerWaalsContact O-N 3.12Å; F79-S115 VanDerWaalsContact CD1-CB 3.41Å; F79-S115 WeakPolarHBondContact CD1-OG 3.49Å; F79-S115 PolarHBondContact O-OG 3.22Å
80D97.4Very high95.4Very high27 Ų2732.3 Ų32.314%0.14417%0.165CC..THydrogen-bonded Turntrans-72.35.617474.29000115H56 S57 S78 T82H56-D80 VanDerWaalsContact CB-OD2 3.28Å; H56-D80 WeakPolarHBondContact CB-OD2 3.33Å; H56-D80 IonicContact CG-OD2 3.21Å; H56-D80 IonicContact ND1-OD1 3.62Å; H56-D80 PolarHBondContact ND1-OD1 3.18Å; H56-D80 IonicContact ND1-OD2 3.01Å; H56-D80 PolarHBondContact ND1-OD2 2.88Å; S57-D80 PolarHBondContact N-OD2 3.45Å; S57-D80 VanDerWaalsContact OG-CB 3.23Å; S57-D80 WeakPolarHBondContact OG-CB 3.49Å; S57-D80 PolarHBondContact OG-OD2 3.19Å; S57-D80 VanDerWaalsContact OG-OD2 3.06Å; S78-D80 VanDerWaalsContact CB-OD1 3.27Å; S78-D80 WeakPolarHBondContact CB-OD1 3.23Å; S78-D80 PolarHBondContact O-N 3.5Å; S78-D80 PolarHBondContact OG-N 3.21Å; S78-D80 PolarHBondContact OG-OD1 3.38Å; D80-T82 VanDerWaalsContact C-N 3.3Å; D80-T82 WeakPolarHBondContact OD1-CB 3.36Å; D80-T82 PolarHBondContact OD1-N 2.88Å; D80-T82 PolarHBondContact OD1-OG1 2.95Å
81R98Very high93.8Very high144 Ų14433 Ų3354%0.54318%0.18SC..SBendtrans78.79.3176.4-45173.2-94.1-120.2-6.6114.1S78 F79 R113 T114S78-R81 PolarHBondContact O-N 3.5Å; F79-R81 PolarHBondContact O-N 3.33Å; F79-R81 VanDerWaalsContact O-N 3.12Å; R81-R113 WeakPolarHBondContact CD-O 3.44Å; R81-T114 WeakPolarHBondContact CA-O 3.5Å; R81-T114 WeakPolarHBondContact CB-O 3.38Å; R81-T114 VanDerWaalsContact CG-C 3.46Å
82T98.1Very high91.6Very high24 Ų2441 Ų4115%0.14721%0.208CC..  trans-114.2153.5179.970.70000112.4H56 S78 D80 T108 L109 V110H56-T82 PolarHBondContact CE1-OG1 2.8Å; H56-T82 PolarHBondContact ND1-OG1 2.9Å; H56-T82 VanDerWaalsContact ND1-OG1 3.08Å; S78-T82 PolarHBondContact N-O 3.01Å; S78-T82 VanDerWaalsContact N-O 3.1Å; D80-T82 VanDerWaalsContact C-N 3.3Å; D80-T82 WeakPolarHBondContact OD1-CB 3.36Å; D80-T82 PolarHBondContact OD1-N 2.88Å; D80-T82 PolarHBondContact OD1-OG1 2.95Å; T82-T108 HydrophobicContact CG2-CG2 4.05Å; T82-L109 WeakPolarHBondContact CA-O 3.49Å; T82-V110 HydrophobicContact CG2-CG1 4.04Å
83A98.4Very high89.3Confident1 Ų141.4 Ų41.41%0.00822%0.218CC..EExtended strand (participates in β ladder)trans-113.5148158.400000109S76 C77 T108 L109 T132S76-A83 CarbonylContact O-C 3.54Å; S76-A83 WeakPolarHBondContact O-CA 3.41Å; C77-A83 HydrophobicContact CB-CB 4.3Å; A83-T108 CarbonylContact O-C 3.58Å; A83-T108 WeakPolarHBondContact O-CA 3.44Å; A83-L109 HydrophobicContact CB-CB 4.27Å; A83-L109 HydrophobicContact CB-CD1 4.23Å; A83-L109 PolarHBondContact N-O 3.36Å; A83-L109 VanDerWaalsContact N-O 3.11Å; A83-L109 PolarHBondContact O-N 3.28Å; A83-T132 HydrophobicContact CB-CG2 3.79Å
84A98.3Very high86.9Confident0 Ų049.8 Ų49.80%026%0.263CS..EExtended strand (participates in β ladder)trans-128.3143.1179.300000110.2A75 S76 W86 T107A75-A84 VanDerWaalsContact CA-O 3.3Å; A75-A84 WeakPolarHBondContact CA-O 3.43Å; S76-A84 PolarHBondContact N-O 3.14Å; S76-A84 PolarHBondContact O-N 3.28Å; A84-W86 HydrophobicContact CB-CZ2 4.04Å; A84-T107 WeakPolarHBondContact CA-O 3.23Å
85V98.4Very high84.3Confident0 Ų055.7 Ų55.70%029%0.294CS..EExtended strand (participates in β ladder)trans-109.7133.5174.6-178.80000108.7V73 L74 R106 T107 L130 W153V73-V85 HydrophobicContact CG1-CG1 3.54Å; L74-V85 CarbonylContact O-C 3.58Å; L74-V85 WeakPolarHBondContact O-CA 3.33Å; V85-R106 PolarHBondContact O-N 3.12Å; V85-T107 HydrophobicContact CB-CG2 3.78Å; V85-T107 HydrophobicContact CG2-CG2 3.79Å; V85-T107 PolarHBondContact N-O 3.49Å; V85-T107 VanDerWaalsContact N-O 3.11Å; V85-T107 PolarHBondContact O-N 3.17Å; V85-L130 HydrophobicContact CG2-CD2 3.95Å; V85-W153 HydrophobicContact CB-CZ2 4.47Å; V85-W153 HydrophobicContact CG1-CZ2 3.92Å; V85-W153 HydrophobicContact CG2-CD2 4.49Å; V85-W153 HydrophobicContact CG2-CZ2 3.91Å
86W97.8Very high82Confident11 Ų1165.6 Ų65.64%0.04234%0.337CS..EExtended strand (participates in β ladder)trans-125.1139.9-174.5-52.586.3000109.6W53 T55 V73 L74 S76 A84 W103 I104 K105W53-W86 AromaticContact CD1-CH2 3.64Å; W53-W86 AromaticContact CD1-CZ3 3.46Å; W53-W86 VanDerWaalsContact CD1-CZ3 3.46Å; W53-W86 HydrophobicContact CZ2-CD2 4.27Å; W53-W86 HydrophobicContact CZ2-CE3 4.41Å; W53-W86 HydrophobicContact CZ2-CG 4.34Å; W53-W86 AromaticContact NE1-CD2 3.57Å; W53-W86 AromaticContact NE1-CE2 3.81Å; W53-W86 AromaticContact NE1-CE3 3.19Å; W53-W86 AromaticContact NE1-CH2 3.37Å; W53-W86 AromaticContact NE1-CZ2 3.77Å; W53-W86 AromaticContact NE1-CZ3 3.07Å; T55-W86 VanDerWaalsContact CB-CZ2 3.45Å; T55-W86 HydrophobicContact CG2-CH2 3.92Å; T55-W86 HydrophobicContact CG2-CZ2 3.46Å; T55-W86 VanDerWaalsContact CG2-CZ2 3.46Å; V73-W86 CarbonylContact C-O 3.49Å; V73-W86 VanDerWaalsContact CA-O 3.3Å; V73-W86 WeakPolarHBondContact CA-O 3.34Å; V73-W86 WeakPolarHBondContact CG1-O 3.43Å; L74-W86 HydrophobicContact CB-CB 4.27Å; L74-W86 PolarHBondContact N-O 2.9Å; L74-W86 PolarHBondContact O-N 2.82Å; S76-W86 PolarHBondContact OG-NE1 3.2Å; A84-W86 HydrophobicContact CB-CZ2 4.04Å; W86-W103 HydrophobicContact CB-CE3 3.82Å; W86-W103 HydrophobicContact CB-CZ3 4.43Å; W86-I104 VanDerWaalsContact CA-O 3.31Å; W86-I104 WeakPolarHBondContact CA-O 3.43Å; W86-K105 HydrophobicContact CD2-CB 4.4Å; W86-K105 HydrophobicContact CE3-CB 3.75Å; W86-K105 HydrophobicContact CE3-CG 4.41Å; W86-K105 HydrophobicContact CH2-CB 3.94Å; W86-K105 HydrophobicContact CH2-CD 4.2Å; W86-K105 HydrophobicContact CH2-CG 4.2Å; W86-K105 HydrophobicContact CZ2-CD 4.41Å; W86-K105 HydrophobicContact CZ2-CG 4.37Å; W86-K105 HydrophobicContact CZ3-CB 3.5Å; W86-K105 HydrophobicContact CZ3-CG 4.22Å
87E95.6Very high79.5Confident45 Ų4573.1 Ų73.121%0.2137%0.372CS..EExtended strand (participates in β ladder)trans-119.3135.6172.4-173.4-171138.500109.1Q72 W103 I104 R106 L150Q72-E87 WeakPolarHBondContact O-CA 3.41Å; E87-W103 WeakPolarHBondContact O-CA 3.34Å; E87-I104 PolarHBondContact N-O 2.92Å; E87-I104 PolarHBondContact O-N 3.17Å; E87-R106 HydrophobicContact CB-CG 3.72Å; E87-R106 IonicContact OE1-CZ 3.1Å; E87-R106 IonicContact OE1-NH2 3.63Å; E87-R106 PolarHBondContact OE1-NH2 3.46Å; E87-R106 IonicContact OE2-CZ 3.65Å; E87-R106 IonicContact OE2-NE 3.74Å; E87-R106 PolarHBondContact OE2-NE 2.81Å; E87-R106 IonicContact OE2-NH2 3.98Å; E87-R106 PolarHBondContact OE2-NH2 2.89Å; E87-L150 HydrophobicContact CB-CD1 4.1Å; E87-L150 HydrophobicContact CG-CD1 4.04Å; E87-L150 WeakPolarHBondContact OE2-CD1 3.48Å
88E93.3Very high77Confident24 Ų2484.5 Ų84.511%0.11242%0.415CS..EExtended strand (participates in β ladder)trans-80.2125.7170.5-173.8-177.4-150.800110.6R26 Q72 S101 W103R26-E88 IonicContact CZ-OE1 3.6Å; R26-E88 IonicContact CZ-OE2 2.95Å; R26-E88 IonicContact NH1-OE1 2.8Å; R26-E88 IonicContact NH1-OE2 2.89Å; R26-E88 PolarHBondContact NH1-OE2 3.37Å; R26-E88 IonicContact NH2-OE1 3.92Å; R26-E88 PolarHBondContact NH2-OE1 3.13Å; R26-E88 IonicContact NH2-OE2 2.81Å; R26-E88 PolarHBondContact NH2-OE2 2.91Å; Q72-E88 HydrophobicContact CB-CB 3.73Å; Q72-E88 WeakPolarHBondContact CB-OE2 3.43Å; Q72-E88 WeakPolarHBondContact CG-OE2 3.33Å; Q72-E88 PolarHBondContact O-N 2.65Å; E88-S101 WeakPolarHBondContact OE1-CB 3.44Å; E88-S101 PolarHBondContact OE1-OG 3.04Å; E88-W103 HydrophobicContact CB-CD2 3.99Å; E88-W103 HydrophobicContact CB-CE3 4.03Å; E88-W103 HydrophobicContact CB-CH2 3.84Å; E88-W103 HydrophobicContact CB-CZ2 3.78Å; E88-W103 HydrophobicContact CB-CZ3 3.95Å; E88-W103 HydrophobicContact CG-CZ2 4.19Å
89I88.2Confident74.7Confident62 Ų6287 Ų8732%0.31844%0.442SS..EExtended strand (participates in β ladder)trans-102.8114168.9-55-162.9000108.4G91 H102 I104I89-G91 PolarHBondContact O-N 3.11Å; I89-H102 PolarHBondContact N-O 2.81Å; I89-I104 HydrophobicContact CD1-CD1 3.29Å; I89-I104 HydrophobicContact CD1-CG1 3.94Å; I89-I104 HydrophobicContact CG1-CD1 3.95Å; I89-I104 HydrophobicContact CG1-CG1 4.06Å
90V74.4Confident72.7Confident125 Ų12588 Ų8876%0.75845%0.45SS*.  trans-80.694.8170-173.30000107.5
91G60.7Low71.1Confident44 Ų4487.7 Ų87.745%0.45445%0.45SS..  trans-83.4137.9172.400000111.6I89 S93I89-G91 PolarHBondContact O-N 3.11Å; G91-S93 PolarHBondContact O-N 3.34Å
92E47.7Very low70.4Confident203 Ų20386.8 Ų86.895%0.94945%0.452SS*.  trans-64.886.1156.4-72.5-174.716500108N94E92-N94 PolarHBondContact O-N 2.88Å; E92-N94 VanDerWaalsContact O-N 3.16Å
93S44.4Very low70.2Confident71 Ų7186.8 Ų86.850%0.49745%0.449SS..  trans-76.3105.6178.325.50000109.1G91 D95G91-S93 PolarHBondContact O-N 3.34Å; S93-D95 PolarHBondContact O-N 3.01Å; S93-D95 VanDerWaalsContact O-N 3.16Å
94N45.7Very low70Confident177 Ų17790.1 Ų90.195%0.94747%0.466SS*.  trans-78.620.8173.1-132.84.3000112.6E92E92-N94 PolarHBondContact O-N 2.88Å; E92-N94 VanDerWaalsContact O-N 3.16Å
95D44.4Very low69.9Low125 Ų12594.5 Ų94.567%0.66849%0.485SS*.SBendtrans-122.6148.9-173.6-141-16.7000110.4S93 Q97S93-D95 PolarHBondContact O-N 3.01Å; S93-D95 VanDerWaalsContact O-N 3.16Å; D95-Q97 PolarHBondContact O-N 2.9Å
96K48.7Very low69.8Low208 Ų20898.5 Ų98.590%0.90450%0.5SS*.SBendtrans-65.89.1-167.7-66.9176.5179.1175.50115
97Q47.1Very low69.8Low159 Ų15999.2 Ų99.274%0.74351%0.506SS*.  trans-99.971.1168.7-68.8-165.7-8.300110.6D95 G99D95-Q97 PolarHBondContact O-N 2.9Å; Q97-G99 PolarHBondContact O-N 3.15Å
98R45.1Very low69.9Low239 Ų23999.7 Ų99.790%0.90251%0.512SS*.THydrogen-bonded Turntrans-62.9117.9168.2-76-178.5170.5-171.4-3.5109.5
99G50.6Low70.1Confident54 Ų5499 Ų9956%0.55751%0.509SS*.THydrogen-bonded Turntrans129.40.315000000118.8Q97Q97-G99 PolarHBondContact O-N 3.15Å
100L55.2Low70.6Confident104 Ų104100.7 Ų100.755%0.54552%0.522SS..  trans-96.1110.8175.7-62.8176.8000110.6T50 H102T50-L100 VanDerWaalsContact O-CA 3.31Å; T50-L100 WeakPolarHBondContact O-CA 3.3Å; T50-L100 WeakPolarHBondContact O-CD2 3.46Å; L100-H102 PolarHBondContact O-N 3.14Å
101S62.8Low71.7Confident22 Ų2298.2 Ų98.215%0.15450%0.504CS..PPolyproline II helixtrans-60.1131.4168.356.20000110T50 A51 E88 W103T50-S101 PolarHBondContact O-N 3.25Å; T50-S101 PolarHBondContact O-OG 2.77Å; A51-S101 WeakPolarHBondContact CB-OG 3.3Å; E88-S101 WeakPolarHBondContact OE1-CB 3.44Å; E88-S101 PolarHBondContact OE1-OG 3.04Å; S101-W103 PolarHBondContact OG-NE1 3.21Å
102H83.6Confident73.3Confident125 Ų12596.5 Ų96.558%0.57949%0.486SS*.EExtended strand (participates in β ladder)trans-93.2116.2178.9-75.5-81.1000110.5I89 L100I89-H102 PolarHBondContact N-O 2.81Å; L100-H102 PolarHBondContact O-N 3.14Å
103W92.7Very high75.6Confident23 Ų2396.6 Ų96.69%0.08748%0.477CS..EExtended strand (participates in β ladder)trans-95.5119.4176-71.582.3000110.3V38 A51 W53 W65 L74 W86 E87 E88 S101V38-W103 HydrophobicContact CG1-CZ2 4.23Å; V38-W103 HydrophobicContact CG2-CZ2 3.86Å; A51-W103 VanDerWaalsContact CB-CD1 3.5Å; W53-W103 HydrophobicContact CD2-CB 4.13Å; W53-W103 HydrophobicContact CE3-CB 4.21Å; W53-W103 HydrophobicContact CE3-CG 4.24Å; W53-W103 HydrophobicContact CH2-CB 3.75Å; W53-W103 AromaticContact CH2-CD1 3.61Å; W53-W103 AromaticContact CH2-CD2 3.63Å; W53-W103 HydrophobicContact CH2-CD2 3.63Å; W53-W103 HydrophobicContact CH2-CE3 4.31Å; W53-W103 AromaticContact CH2-CG 3.34Å; W53-W103 HydrophobicContact CH2-CG 3.34Å; W53-W103 AromaticContact CH2-NE1 4Å; W53-W103 HydrophobicContact CZ2-CB 3.62Å; W53-W103 HydrophobicContact CZ2-CD2 4.09Å; W53-W103 HydrophobicContact CZ2-CE3 4.46Å; W53-W103 AromaticContact CZ2-CG 3.73Å; W53-W103 HydrophobicContact CZ2-CG 3.73Å; W53-W103 HydrophobicContact CZ3-CB 4.04Å; W53-W103 AromaticContact CZ3-CD1 3.45Å; W53-W103 VanDerWaalsContact CZ3-CD1 3.45Å; W53-W103 HydrophobicContact CZ3-CD2 4.27Å; W53-W103 AromaticContact CZ3-CG 3.63Å; W53-W103 HydrophobicContact CZ3-CG 3.63Å; W53-W103 AromaticContact CZ3-NE1 3.96Å; W65-W103 HydrophobicContact CE3-CH2 4.49Å; W65-W103 AromaticContact CH2-CH2 3.89Å; W65-W103 HydrophobicContact CH2-CH2 3.89Å; W65-W103 AromaticContact CH2-CZ2 3.88Å; W65-W103 HydrophobicContact CH2-CZ2 3.88Å; W65-W103 AromaticContact CZ3-CH2 3.63Å; W65-W103 HydrophobicContact CZ3-CH2 3.63Å; W65-W103 HydrophobicContact CZ3-CZ2 4.06Å; L74-W103 HydrophobicContact CB-CE3 4.31Å; L74-W103 HydrophobicContact CB-CH2 4.23Å; L74-W103 HydrophobicContact CB-CZ3 3.69Å; L74-W103 HydrophobicContact CD1-CD2 4.33Å; L74-W103 HydrophobicContact CD1-CE3 3.99Å; L74-W103 HydrophobicContact CD1-CH2 3.36Å; L74-W103 HydrophobicContact CD1-CZ2 3.75Å; L74-W103 HydrophobicContact CD1-CZ3 3.5Å; L74-W103 HydrophobicContact CG-CE3 4.37Å; L74-W103 HydrophobicContact CG-CH2 3.52Å; L74-W103 HydrophobicContact CG-CZ2 4.39Å; L74-W103 HydrophobicContact CG-CZ3 3.52Å; W86-W103 HydrophobicContact CB-CE3 3.82Å; W86-W103 HydrophobicContact CB-CZ3 4.43Å; E87-W103 WeakPolarHBondContact O-CA 3.34Å; E88-W103 HydrophobicContact CB-CD2 3.99Å; E88-W103 HydrophobicContact CB-CE3 4.03Å; E88-W103 HydrophobicContact CB-CH2 3.84Å; E88-W103 HydrophobicContact CB-CZ2 3.78Å; E88-W103 HydrophobicContact CB-CZ3 3.95Å; E88-W103 HydrophobicContact CG-CZ2 4.19Å; S101-W103 PolarHBondContact OG-NE1 3.21Å
104I94.6Very high78Confident72 Ų7295.6 Ų95.637%0.36947%0.468SS..EExtended strand (participates in β ladder)trans-103.2128.4-179.6-56.5-158.9000109.5W86 E87 I89 R106W86-I104 VanDerWaalsContact CA-O 3.31Å; W86-I104 WeakPolarHBondContact CA-O 3.43Å; E87-I104 PolarHBondContact N-O 2.92Å; E87-I104 PolarHBondContact O-N 3.17Å; I89-I104 HydrophobicContact CD1-CD1 3.29Å; I89-I104 HydrophobicContact CD1-CG1 3.94Å; I89-I104 HydrophobicContact CG1-CD1 3.95Å; I89-I104 HydrophobicContact CG1-CG1 4.06Å; I104-R106 PolarHBondContact O-N 3.12Å
105K96.6Very high80.5Confident92 Ų9288.6 Ų88.640%0.443%0.433SS..EExtended strand (participates in β ladder)trans-67.3113.3171-170.3176.2-68-1680108.8T55 W86T55-K105 PolarHBondContact O-NZ 2.97Å; W86-K105 HydrophobicContact CD2-CB 4.4Å; W86-K105 HydrophobicContact CE3-CB 3.75Å; W86-K105 HydrophobicContact CE3-CG 4.41Å; W86-K105 HydrophobicContact CH2-CB 3.94Å; W86-K105 HydrophobicContact CH2-CD 4.2Å; W86-K105 HydrophobicContact CH2-CG 4.2Å; W86-K105 HydrophobicContact CZ2-CD 4.41Å; W86-K105 HydrophobicContact CZ2-CG 4.37Å; W86-K105 HydrophobicContact CZ3-CB 3.5Å; W86-K105 HydrophobicContact CZ3-CG 4.22Å
106R96.8Very high83Confident83 Ų8382.7 Ų82.731%0.31340%0.402SS..EExtended strand (participates in β ladder)trans-87.4-40178.6-66.6-60.4-165.4-178.24.9112.1V85 E87 I104 L150 S151V85-R106 PolarHBondContact O-N 3.12Å; E87-R106 HydrophobicContact CB-CG 3.72Å; E87-R106 IonicContact OE1-CZ 3.1Å; E87-R106 IonicContact OE1-NH2 3.63Å; E87-R106 PolarHBondContact OE1-NH2 3.46Å; E87-R106 IonicContact OE2-CZ 3.65Å; E87-R106 IonicContact OE2-NE 3.74Å; E87-R106 PolarHBondContact OE2-NE 2.81Å; E87-R106 IonicContact OE2-NH2 3.98Å; E87-R106 PolarHBondContact OE2-NH2 2.89Å; I104-R106 PolarHBondContact O-N 3.12Å; R106-L150 HydrophobicContact CB-CB 3.95Å; R106-L150 WeakPolarHBondContact CB-O 3.22Å; R106-L150 HydrophobicContact CG-CB 3.85Å; R106-S151 WeakPolarHBondContact O-CA 3.23Å
107T97.8Very high85.4Confident26 Ų2673.3 Ų73.316%0.1636%0.362CS..EExtended strand (participates in β ladder)trans-151.2163.2176.1-165.50000112.7A84 V85 L109 W153A84-T107 WeakPolarHBondContact CA-O 3.23Å; V85-T107 HydrophobicContact CB-CG2 3.78Å; V85-T107 HydrophobicContact CG2-CG2 3.79Å; V85-T107 PolarHBondContact N-O 3.49Å; V85-T107 VanDerWaalsContact N-O 3.11Å; V85-T107 PolarHBondContact O-N 3.17Å; T107-L109 HydrophobicContact CG2-CD2 4.17Å; T107-W153 HydrophobicContact CG2-CB 4.44Å; T107-W153 HydrophobicContact CG2-CG 3.83Å
108T98.1Very high87.8Confident55 Ų5565.7 Ų65.734%0.33733%0.326SS..EExtended strand (participates in β ladder)trans-126.8121.5168.4-51.80000108.5T82 A83 V110T82-T108 HydrophobicContact CG2-CG2 4.05Å; A83-T108 CarbonylContact O-C 3.58Å; A83-T108 WeakPolarHBondContact O-CA 3.44Å; T108-V110 HydrophobicContact CG2-CG1 3.79Å
109L97.8Very high90.4Very high10 Ų1054.3 Ų54.35%0.05228%0.284CS..EExtended strand (participates in β ladder)trans-90.1117.6177.2-52.2176.6000108.2T82 A83 T107 L130 Y142 W153T82-L109 WeakPolarHBondContact CA-O 3.49Å; A83-L109 HydrophobicContact CB-CB 4.27Å; A83-L109 HydrophobicContact CB-CD1 4.23Å; A83-L109 PolarHBondContact N-O 3.36Å; A83-L109 VanDerWaalsContact N-O 3.11Å; A83-L109 PolarHBondContact O-N 3.28Å; T107-L109 HydrophobicContact CG2-CD2 4.17Å; L109-L130 HydrophobicContact CD1-CD2 3.8Å; L109-Y142 HydrophobicContact CB-CE1 4.34Å; L109-Y142 HydrophobicContact CB-CE2 4.39Å; L109-Y142 HydrophobicContact CD1-CD1 4.26Å; L109-Y142 HydrophobicContact CD1-CD2 3.67Å; L109-Y142 HydrophobicContact CD1-CE1 4.4Å; L109-Y142 HydrophobicContact CD1-CE2 3.84Å; L109-Y142 HydrophobicContact CD1-CG 3.88Å; L109-Y142 HydrophobicContact CD2-CD1 3.87Å; L109-Y142 HydrophobicContact CD2-CE1 3.97Å; L109-Y142 HydrophobicContact CD2-CG 4.25Å; L109-Y142 HydrophobicContact CG-CE1 4.46Å; L109-W153 HydrophobicContact CD2-CB 3.86Å; L109-W153 HydrophobicContact CD2-CG 4.37Å
110V97.5Very high92.6Very high98 Ų9853.9 Ų53.959%0.59427%0.266SS*.  trans-120.77-167.5-62.70000113.7T82 T108 S112T82-V110 HydrophobicContact CG2-CG1 4.04Å; T108-V110 HydrophobicContact CG2-CG1 3.79Å; V110-S112 VanDerWaalsContact C-N 3.25Å; V110-S112 PolarHBondContact O-N 2.8Å
111D96.9Very high94.7Very high72 Ų7250 Ų5039%0.38525%0.245SC..  trans-71.3-20.6-174.9-48.2-89.2000113.3R113 Y142D111-R113 PolarHBondContact O-N 2.87Å; D111-Y142 WeakPolarHBondContact CB-OH 3.11Å; D111-Y142 WeakPolarHBondContact OD2-CE1 3.43Å; D111-Y142 PolarHBondContact OD2-OH 3.3Å
112S96Very high96.3Very high9 Ų949.3 Ų49.36%0.06324%0.241CC..  trans-71128.5179.9-65.30000111.3V110 R140V110-S112 VanDerWaalsContact C-N 3.25Å; V110-S112 PolarHBondContact O-N 2.8Å; S112-R140 PolarHBondContact OG-NH1 2.85Å; S112-R140 VanDerWaalsContact OG-NH1 3.13Å
113R94.3Very high96.9Very high204 Ų20444.3 Ų44.377%0.7722%0.22SC*.SBendtrans-82.3-22.1-179.9-62.4-175.2-175.9178.32.5112.8R81 D111R81-R113 WeakPolarHBondContact CD-O 3.44Å; D111-R113 PolarHBondContact O-N 2.87Å
114T96.6Very high96.9Very high50 Ų5047.5 Ų47.531%0.30723%0.234SC..SBendtrans-127.2177.9178.860.60000109.8R81 S134 D136R81-T114 WeakPolarHBondContact CA-O 3.5Å; R81-T114 WeakPolarHBondContact CB-O 3.38Å; R81-T114 VanDerWaalsContact CG-C 3.46Å; T114-S134 PolarHBondContact O-OG 3.42Å; T114-S134 PolarHBondContact OG1-OG 3.15Å; T114-D136 HydrophobicContact CG2-CB 4.03Å; T114-D136 VanDerWaalsContact OG1-CB 3.26Å; T114-D136 WeakPolarHBondContact OG1-CB 3.39Å; T114-D136 PolarHBondContact OG1-N 3.05Å
115S96.9Very high96.8Very high30 Ų3048.4 Ų48.421%0.2124%0.236CC..  trans-58.1138.1-176.8-59.50000112.9F79 S134 A135F79-S115 VanDerWaalsContact CD1-CB 3.41Å; F79-S115 WeakPolarHBondContact CD1-OG 3.49Å; F79-S115 PolarHBondContact O-OG 3.22Å; S115-S134 VanDerWaalsContact O-CA 3.31Å; S115-S134 WeakPolarHBondContact O-CA 3.18Å; S115-S134 WeakPolarHBondContact O-CB 3.22Å; S115-S134 PolarHBondContact O-OG 2.87Å; S115-A135 PolarHBondContact O-N 3.32Å
116V98.2Very high96.7Very high1 Ų145.5 Ų45.51%0.00623%0.225CC..EExtended strand (participates in β ladder)trans-89.2115.4178.5-173.90000108.4C77 S78 T132 C133C77-V116 HydrophobicContact CB-CB 3.89Å; C77-V116 HydrophobicContact CB-CG1 3.51Å; C77-V116 PolarHBondContact SG-O 3.49Å; C77-V116 VanDerWaalsContact SG-O 3.34Å; S78-V116 PolarHBondContact O-N 2.54Å; V116-T132 HydrophobicContact CG1-CG2 4.32Å; V116-C133 CarbonylContact C-O 3.36Å; V116-C133 WeakPolarHBondContact CA-O 3.14Å; V116-C133 VanDerWaalsContact CG1-O 3.32Å; V116-C133 WeakPolarHBondContact CG1-O 3.29Å
117T97.9Very high96.6Very high11 Ų1142.8 Ų42.87%0.06722%0.222CC..EExtended strand (participates in β ladder)trans-96.2-18.8-170.449.80000113.1W61 C133 A135 C165W61-T117 PolarHBondContact NE1-O 3.3Å; T117-C133 PolarHBondContact N-O 2.94Å; T117-C133 PolarHBondContact OG1-O 2.98Å; T117-C133 VanDerWaalsContact OG1-O 3.13Å; T117-C133 PolarHBondContact OG1-SG 3.47Å; T117-A135 HydrophobicContact CG2-CB 4.35Å; T117-C165 WeakPolarHBondContact CB-O 3.36Å; T117-C165 PolarHBondContact OG1-O 2.96Å
118D98.4Very high96.5Very high0 Ų041.7 Ų41.70%022%0.216CC..EExtended strand (participates in β ladder)trans-154.7155.8170.2-154-4.7000112.3R62 K120 T132 C133 C167 I168R62-D118 HydrophobicContact CG-CB 4.39Å; R62-D118 WeakPolarHBondContact CG-OD1 3.47Å; R62-D118 IonicContact NE-OD1 3.58Å; D118-K120 VanDerWaalsContact OD1-CE 3.22Å; D118-K120 WeakPolarHBondContact OD1-CE 3.04Å; D118-K120 IonicContact OD1-NZ 3.06Å; D118-K120 PolarHBondContact OD1-NZ 2.98Å; D118-T132 CarbonylContact O-C 3.57Å; D118-T132 VanDerWaalsContact O-CA 3.32Å; D118-T132 WeakPolarHBondContact O-CA 3.15Å; D118-C133 WeakPolarHBondContact CB-SG 3.33Å; D118-C133 PolarHBondContact N-O 2.79Å; D118-C133 PolarHBondContact N-SG 3.03Å; D118-C133 VanDerWaalsContact N-SG 3.43Å; D118-C133 PolarHBondContact O-N 3.16Å; D118-C167 WeakPolarHBondContact OD2-CA 3.5Å; D118-I168 HydrophobicContact CB-CG2 3.94Å; D118-I168 PolarHBondContact OD2-N 2.95Å
119V98.5Very high96.5Very high0 Ų039.9 Ų39.90%020%0.203CC..EExtended strand (participates in β ladder)trans-145126.1177.161.50000110.1R62 T64 A75 C77 L130 A131 T132R62-V119 HydrophobicContact CB-CG1 4.02Å; T64-V119 HydrophobicContact CG2-CG1 4.26Å; T64-V119 HydrophobicContact CG2-CG2 4.35Å; T64-V119 WeakPolarHBondContact CG2-O 3.2Å; A75-V119 HydrophobicContact CB-CG2 3.91Å; C77-V119 HydrophobicContact CB-CB 3.91Å; C77-V119 HydrophobicContact CB-CG1 3.68Å; V119-L130 HydrophobicContact CG2-CD1 3.36Å; V119-L130 HydrophobicContact CG2-CD2 3.93Å; V119-L130 HydrophobicContact CG2-CG 3.77Å; V119-A131 CarbonylContact C-O 3.48Å; V119-A131 VanDerWaalsContact CA-O 3.31Å; V119-A131 WeakPolarHBondContact CA-O 2.98Å; V119-T132 HydrophobicContact CB-CG2 4.43Å; V119-T132 HydrophobicContact CG2-CG2 4.06Å
120K98.5Very high96.5Very high44 Ų4439.4 Ų39.419%0.19120%0.201CC..EExtended strand (participates in β ladder)trans-141.4127.5-179.1-59.8-65.4177.1-155.90111.3D118 A131 I168 W170D118-K120 VanDerWaalsContact OD1-CE 3.22Å; D118-K120 WeakPolarHBondContact OD1-CE 3.04Å; D118-K120 IonicContact OD1-NZ 3.06Å; D118-K120 PolarHBondContact OD1-NZ 2.98Å; K120-A131 PolarHBondContact N-O 2.96Å; K120-A131 PolarHBondContact O-N 3.12Å; K120-I168 HydrophobicContact CB-CG2 4.25Å; K120-I168 HydrophobicContact CG-CG2 3.75Å; K120-I168 WeakPolarHBondContact CG-O 3.39Å; K120-W170 PolarHBondContact O-NE1 2.93Å; K120-W170 VanDerWaalsContact O-NE1 3.09Å
121F98.4Very high96.6Very high22 Ų2234.7 Ų34.710%0.09617%0.173CC..EExtended strand (participates in β ladder)trans-64.4141.8166.7-73.6-76000110.4T64 W65 A66 V73 A75 L128 M129 L130 W153T64-F121 HydrophobicContact CG2-CD2 3.62Å; T64-F121 HydrophobicContact CG2-CE2 3.88Å; W65-F121 WeakPolarHBondContact O-CD2 3.05Å; A66-F121 VanDerWaalsContact CA-CD2 3.49Å; A66-F121 HydrophobicContact CB-CD1 4.07Å; A66-F121 HydrophobicContact CB-CD2 3.92Å; A66-F121 HydrophobicContact CB-CE1 3.98Å; A66-F121 HydrophobicContact CB-CE2 3.8Å; A66-F121 HydrophobicContact CB-CG 4.05Å; A66-F121 HydrophobicContact CB-CZ 3.84Å; A66-F121 VanDerWaalsContact N-CD2 3.32Å; V73-F121 HydrophobicContact CG1-CZ 3.99Å; A75-F121 HydrophobicContact CB-CD2 4.49Å; A75-F121 HydrophobicContact CB-CE2 3.58Å; A75-F121 HydrophobicContact CB-CZ 3.62Å; F121-L128 HydrophobicContact CD1-CD1 3.85Å; F121-L128 HydrophobicContact CE1-CD1 3.74Å; F121-M129 WeakPolarHBondContact CA-O 3.34Å; F121-L130 HydrophobicContact CD1-CB 4.37Å; F121-L130 HydrophobicContact CD1-CD1 3.81Å; F121-L130 HydrophobicContact CD2-CD1 4.22Å; F121-L130 HydrophobicContact CE1-CB 4.41Å; F121-L130 HydrophobicContact CE1-CD1 3.89Å; F121-L130 HydrophobicContact CE2-CD1 4.31Å; F121-L130 HydrophobicContact CG-CD1 3.97Å; F121-L130 HydrophobicContact CZ-CD1 4.15Å; F121-W153 AromaticContact CE1-CH2 3.88Å; F121-W153 HydrophobicContact CE1-CH2 3.88Å
122A97.4Very high96.7Very high8 Ų831.4 Ų31.47%0.06616%0.155CC..PPolyproline II helixtrans-72.3157.5172.200000110.7K124 M126 M129 W170A122-K124 PolarHBondContact O-N 3.36Å; A122-M126 HydrophobicContact CB-CE 4.4Å; A122-M126 HydrophobicContact CB-SD 4.43Å; A122-M129 HydrophobicContact CB-CB 3.77Å; A122-M129 PolarHBondContact N-O 3.28Å; A122-W170 HydrophobicContact CB-CD2 4.14Å; A122-W170 HydrophobicContact CB-CH2 4.37Å; A122-W170 HydrophobicContact CB-CZ2 3.89Å
123P95Very high96.7Very high21 Ų2131 Ų3114%0.13615%0.152CC..PPolyproline II helixtrans-51137.5169.4-28.531.1000113.1H125 M126 W170 N171P123-H125 WeakPolarHBondContact CB-CE1 3.43Å; P123-H125 PolarHBondContact O-N 2.84Å; P123-M126 HydrophobicContact CB-CE 3.62Å; P123-M126 HydrophobicContact CG-CE 3.41Å; P123-M126 VanDerWaalsContact CG-CE 3.41Å; P123-M126 WeakPolarHBondContact O-CB 3.47Å; P123-M126 PolarHBondContact O-N 2.9Å; P123-W170 HydrophobicContact CG-CB 4.31Å; P123-N171 WeakPolarHBondContact CG-O 3.32Å
124K93.8Very high96.9Very high90 Ų9021.2 Ų21.239%0.39112%0.115SC..G310 helixtrans-53-29.7-170.575.1-175.4-158.9148.90116.2H67 E69 F70 A122 M126 G127H67-K124 HydrophobicContact CB-CB 3.87Å; H67-K124 VanDerWaalsContact CD2-CD 3.49Å; H67-K124 WeakPolarHBondContact CD2-CD 2.99Å; H67-K124 WeakPolarHBondContact CE1-CD 3.36Å; H67-K124 PolarHBondContact CE1-NZ 2.85Å; H67-K124 WeakPolarHBondContact NE2-CD 3.42Å; E69-K124 IonicContact OE2-NZ 3.72Å; E69-K124 PolarHBondContact OE2-NZ 2.97Å; F70-K124 HydrophobicContact CE2-CB 4.18Å; F70-K124 HydrophobicContact CZ-CB 4.41Å; A122-K124 PolarHBondContact O-N 3.36Å; K124-M126 PolarHBondContact O-N 2.97Å; K124-G127 PolarHBondContact O-N 2.89Å
125H92.3Very high96.8Very high90 Ų9021 Ų2142%0.41712%0.118SC..G310 helixtrans-72.3-10.6-177.664-95.8000112.8P123 S173 S174P123-H125 WeakPolarHBondContact CB-CE1 3.43Å; P123-H125 PolarHBondContact O-N 2.84Å; H125-S173 PolarHBondContact CE1-O 2.91Å; H125-S173 VanDerWaalsContact CE1-O 3.28Å; H125-S174 VanDerWaalsContact CE1-CA 3.49Å; H125-S174 WeakPolarHBondContact CE1-CA 3.25Å; H125-S174 PolarHBondContact ND1-OG 3.42Å
126M93.3Very high96.7Very high31 Ų3122 Ų2215%0.15312%0.122CC..G310 helixtrans-91.32.9171.1-67.9-179.2-106.400112.9A122 P123 K124 M129 P180A122-M126 HydrophobicContact CB-CE 4.4Å; A122-M126 HydrophobicContact CB-SD 4.43Å; P123-M126 HydrophobicContact CB-CE 3.62Å; P123-M126 HydrophobicContact CG-CE 3.41Å; P123-M126 VanDerWaalsContact CG-CE 3.41Å; P123-M126 WeakPolarHBondContact O-CB 3.47Å; P123-M126 PolarHBondContact O-N 2.9Å; K124-M126 PolarHBondContact O-N 2.97Å; M126-M129 HydrophobicContact CB-SD 3.98Å; M126-P180 HydrophobicContact CE-CB 4.37Å; M126-P180 HydrophobicContact CG-CG 4.45Å; M126-P180 HydrophobicContact SD-CB 3.64Å; M126-P180 HydrophobicContact SD-CG 3.94Å
127G94.3Very high96.5Very high26 Ų2622 Ų2227%0.26812%0.121SC..  trans83.4-169.4-171.800000112.6F70 K124 M129F70-G127 VanDerWaalsContact CZ-C 3.41Å; K124-G127 PolarHBondContact O-N 2.89Å; G127-M129 PolarHBondContact O-N 2.74Å; G127-M129 VanDerWaalsContact O-N 3.08Å
128L97.3Very high96.5Very high3 Ų322.2 Ų22.22%0.01612%0.122CC..SBendtrans-84.483.8-179.5-177.956.9000109.8A66 F70 F121 A144 V147 L150 W153A66-L128 HydrophobicContact CB-CD1 4.33Å; F70-L128 HydrophobicContact CB-CD1 4.15Å; F70-L128 HydrophobicContact CB-CD2 4.23Å; F70-L128 HydrophobicContact CD1-CB 3.99Å; F70-L128 HydrophobicContact CD2-CB 4.27Å; F70-L128 HydrophobicContact CD2-CD1 3.78Å; F70-L128 HydrophobicContact CE1-CB 4.08Å; F70-L128 HydrophobicContact CE2-CB 4.34Å; F70-L128 HydrophobicContact CE2-CD1 4.36Å; F70-L128 HydrophobicContact CG-CB 4.1Å; F70-L128 HydrophobicContact CG-CD1 3.97Å; F70-L128 HydrophobicContact CG-CD2 4.42Å; F70-L128 HydrophobicContact CG-CG 4.38Å; F70-L128 HydrophobicContact CZ-CB 4.25Å; F121-L128 HydrophobicContact CD1-CD1 3.85Å; F121-L128 HydrophobicContact CE1-CD1 3.74Å; L128-A144 HydrophobicContact CB-CB 4.2Å; L128-A144 HydrophobicContact CD2-CB 3.78Å; L128-A144 HydrophobicContact CG-CB 3.96Å; L128-A144 PolarHBondContact O-N 3.44Å; L128-V147 HydrophobicContact CB-CG1 4.06Å; L128-L150 HydrophobicContact CD2-CD2 3.36Å; L128-W153 HydrophobicContact CD1-CH2 3.94Å; L128-W153 HydrophobicContact CD1-CZ2 4.45Å; L128-W153 HydrophobicContact CD2-CH2 4.16Å; L128-W153 HydrophobicContact CD2-CZ2 4.02Å; L128-W153 HydrophobicContact CG-CH2 3.64Å; L128-W153 HydrophobicContact CG-CZ2 4.03Å; L128-W153 HydrophobicContact CG-CZ3 4.49Å
129M97.6Very high96.5Very high17 Ų1722.2 Ų22.28%0.08412%0.122CC..EExtended strand (participates in β ladder)trans-112.8148.1176.2-53.6179.585.100111.7F121 A122 M126 G127 I141 Y142 E143F121-M129 WeakPolarHBondContact CA-O 3.34Å; A122-M129 HydrophobicContact CB-CB 3.77Å; A122-M129 PolarHBondContact N-O 3.28Å; M126-M129 HydrophobicContact CB-SD 3.98Å; G127-M129 PolarHBondContact O-N 2.74Å; G127-M129 VanDerWaalsContact O-N 3.08Å; M129-I141 HydrophobicContact CE-CG2 3.49Å; M129-I141 VanDerWaalsContact CE-CG2 3.49Å; M129-Y142 CarbonylContact C-O 3.57Å; M129-Y142 WeakPolarHBondContact CA-O 3.37Å; M129-Y142 WeakPolarHBondContact CB-O 3.34Å; M129-E143 HydrophobicContact CE-CB 4.45Å; M129-E143 HydrophobicContact CG-CB 4.2Å; M129-E143 HydrophobicContact CG-CG 4.11Å
130L98.3Very high96.5Very high0 Ų022.4 Ų22.40%012%0.123CC..EExtended strand (participates in β ladder)trans-130.6122.2179.7-174.264000109.2A75 V85 L109 V119 F121 I141 Y142 W153A75-L130 HydrophobicContact CB-CD1 3.82Å; A75-L130 HydrophobicContact CB-CD2 3.9Å; V85-L130 HydrophobicContact CG2-CD2 3.95Å; L109-L130 HydrophobicContact CD1-CD2 3.8Å; V119-L130 HydrophobicContact CG2-CD1 3.36Å; V119-L130 HydrophobicContact CG2-CD2 3.93Å; V119-L130 HydrophobicContact CG2-CG 3.77Å; F121-L130 HydrophobicContact CD1-CB 4.37Å; F121-L130 HydrophobicContact CD1-CD1 3.81Å; F121-L130 HydrophobicContact CD2-CD1 4.22Å; F121-L130 HydrophobicContact CE1-CB 4.41Å; F121-L130 HydrophobicContact CE1-CD1 3.89Å; F121-L130 HydrophobicContact CE2-CD1 4.31Å; F121-L130 HydrophobicContact CG-CD1 3.97Å; F121-L130 HydrophobicContact CZ-CD1 4.15Å; L130-I141 WeakPolarHBondContact O-CA 3.41Å; L130-Y142 PolarHBondContact N-O 3.05Å; L130-Y142 PolarHBondContact O-N 3.46Å; L130-W153 HydrophobicContact CB-CE3 4.27Å; L130-W153 HydrophobicContact CB-CH2 4.02Å; L130-W153 HydrophobicContact CB-CZ3 3.49Å; L130-W153 VanDerWaalsContact CB-CZ3 3.49Å
131A98.6Very high96.5Very high0 Ų020.3 Ų20.30%011%0.114CC..EExtended strand (participates in β ladder)trans-97136.8167.900000110.5V119 K120 R140 I141 I168 W170V119-A131 CarbonylContact C-O 3.48Å; V119-A131 VanDerWaalsContact CA-O 3.31Å; V119-A131 WeakPolarHBondContact CA-O 2.98Å; K120-A131 PolarHBondContact N-O 2.96Å; K120-A131 PolarHBondContact O-N 3.12Å; A131-R140 CarbonylContact C-O 3.52Å; A131-R140 WeakPolarHBondContact CA-O 3.45Å; A131-I141 HydrophobicContact CB-CG1 4.29Å; A131-I168 HydrophobicContact CB-CD1 3.7Å; A131-W170 HydrophobicContact CB-CZ2 3.51Å
132T98.5Very high96.5Very high2 Ų219.4 Ų19.41%0.01211%0.11CC..EExtended strand (participates in β ladder)trans-118.5139.316863.50000109A83 V116 D118 V119 V139 R140 Y142A83-T132 HydrophobicContact CB-CG2 3.79Å; V116-T132 HydrophobicContact CG1-CG2 4.32Å; D118-T132 CarbonylContact O-C 3.57Å; D118-T132 VanDerWaalsContact O-CA 3.32Å; D118-T132 WeakPolarHBondContact O-CA 3.15Å; V119-T132 HydrophobicContact CB-CG2 4.43Å; V119-T132 HydrophobicContact CG2-CG2 4.06Å; T132-V139 WeakPolarHBondContact O-CA 3.47Å; T132-R140 PolarHBondContact N-O 2.84Å; T132-R140 PolarHBondContact O-N 2.78Å; T132-Y142 HydrophobicContact CG2-CD2 4.47Å; T132-Y142 HydrophobicContact CG2-CE2 4.16Å
133C97.7Very high96.6Very high0 Ų022.1 Ų22.10%012%0.121CC..EExtended strand (participates in β ladder)trans-115.2146.2167.478.30000110.4V116 T117 D118 V139 C165 I168V116-C133 CarbonylContact C-O 3.36Å; V116-C133 WeakPolarHBondContact CA-O 3.14Å; V116-C133 VanDerWaalsContact CG1-O 3.32Å; V116-C133 WeakPolarHBondContact CG1-O 3.29Å; T117-C133 PolarHBondContact N-O 2.94Å; T117-C133 PolarHBondContact OG1-O 2.98Å; T117-C133 VanDerWaalsContact OG1-O 3.13Å; T117-C133 PolarHBondContact OG1-SG 3.47Å; D118-C133 WeakPolarHBondContact CB-SG 3.33Å; D118-C133 PolarHBondContact N-O 2.79Å; D118-C133 PolarHBondContact N-SG 3.03Å; D118-C133 VanDerWaalsContact N-SG 3.43Å; D118-C133 PolarHBondContact O-N 3.16Å; C133-V139 HydrophobicContact CB-CG2 4Å; C133-C165 HydrophobicContact CB-CB 3.55Å; C133-I168 HydrophobicContact CB-CB 4.4Å
134S97.1Very high96.7Very high0 Ų021.3 Ų21.30%012%0.116CC..EExtended strand (participates in β ladder)trans-133.5158.2-174.4149.80000111.2T114 S115 D136 G137 V138 C165T114-S134 PolarHBondContact O-OG 3.42Å; T114-S134 PolarHBondContact OG1-OG 3.15Å; S115-S134 VanDerWaalsContact O-CA 3.31Å; S115-S134 WeakPolarHBondContact O-CA 3.18Å; S115-S134 WeakPolarHBondContact O-CB 3.22Å; S115-S134 PolarHBondContact O-OG 2.87Å; S134-D136 WeakPolarHBondContact CB-OD1 3.37Å; S134-D136 PolarHBondContact O-N 2.9Å; S134-D136 VanDerWaalsContact O-N 3.17Å; S134-D136 PolarHBondContact OG-N 2.88Å; S134-D136 PolarHBondContact OG-OD1 3Å; S134-G137 PolarHBondContact O-N 2.97Å; S134-V138 PolarHBondContact N-O 2.9Å; S134-C165 WeakPolarHBondContact O-CB 3.4Å; S134-C165 PolarHBondContact O-N 2.9Å
135A95.8Very high96.7Very high45 Ų4521.2 Ų21.237%0.37213%0.125SC..THydrogen-bonded Turntrans-62.9-18-178.800000113.7S115 T117 G137 S164S115-A135 PolarHBondContact O-N 3.32Å; T117-A135 HydrophobicContact CG2-CB 4.35Å; A135-G137 PolarHBondContact O-N 3.06Å; A135-S164 WeakPolarHBondContact O-CA 3.35Å; A135-S164 WeakPolarHBondContact O-CB 3.34Å
136D93.9Very high96.8Very high52 Ų5220.4 Ų20.428%0.27812%0.124SC..THydrogen-bonded Turntrans-67.2-6.3171.262.1-9.3000113.1T114 S134 V138 R140T114-D136 HydrophobicContact CG2-CB 4.03Å; T114-D136 VanDerWaalsContact OG1-CB 3.26Å; T114-D136 WeakPolarHBondContact OG1-CB 3.39Å; T114-D136 PolarHBondContact OG1-N 3.05Å; S134-D136 WeakPolarHBondContact CB-OD1 3.37Å; S134-D136 PolarHBondContact O-N 2.9Å; S134-D136 VanDerWaalsContact O-N 3.17Å; S134-D136 PolarHBondContact OG-N 2.88Å; S134-D136 PolarHBondContact OG-OD1 3Å; D136-V138 PolarHBondContact OD1-N 2.97Å; D136-R140 IonicContact OD1-NH1 2.8Å; D136-R140 IonicContact OD2-CZ 3.21Å; D136-R140 IonicContact OD2-NH1 2.81Å; D136-R140 PolarHBondContact OD2-NH1 3.3Å; D136-R140 VanDerWaalsContact OD2-NH1 3.15Å; D136-R140 IonicContact OD2-NH2 3.76Å; D136-R140 PolarHBondContact OD2-NH2 3.21Å; D136-R140 VanDerWaalsContact OD2-NH2 3.1Å
137G95.1Very high96.7Very high0 Ų022 Ų220%014%0.136CC..SBendtrans76.528.918000000113.1S134 A135 C161 L163S134-G137 PolarHBondContact O-N 2.97Å; A135-G137 PolarHBondContact O-N 3.06Å; G137-C161 PolarHBondContact O-N 3.25Å; G137-L163 WeakPolarHBondContact CA-O 3.49Å
138V97.8Very high96.6Very high15 Ų1528.6 Ų28.69%0.09116%0.161CC..EExtended strand (participates in β ladder)trans-118128.9178.1-175.10000109.7S134 D136 R140 E158 I159S134-V138 PolarHBondContact N-O 2.9Å; D136-V138 PolarHBondContact OD1-N 2.97Å; V138-R140 HydrophobicContact CG1-CG 4.03Å; V138-E158 HydrophobicContact CG1-CG 3.31Å; V138-I159 WeakPolarHBondContact CA-O 3.47Å
139V98.4Very high96.4Very high0 Ų031 Ų310%017%0.174CC..EExtended strand (participates in β ladder)trans-95.1127.8165.9175.90000108.5T132 C133 I141 I159 I168 F182 V184T132-V139 WeakPolarHBondContact O-CA 3.47Å; C133-V139 HydrophobicContact CB-CG2 4Å; V139-I141 HydrophobicContact CG1-CG1 4.29Å; V139-I159 HydrophobicContact CB-CB 4.4Å; V139-I159 PolarHBondContact N-O 3.41Å; V139-I159 PolarHBondContact O-N 2.74Å; V139-I168 HydrophobicContact CG1-CD1 3.65Å; V139-I168 HydrophobicContact CG2-CD1 4.22Å; V139-F182 HydrophobicContact CB-CE2 4.49Å; V139-F182 HydrophobicContact CG1-CE2 4.09Å; V139-F182 HydrophobicContact CG1-CZ 4.13Å; V139-F182 HydrophobicContact CG2-CE2 4.37Å; V139-V184 HydrophobicContact CG2-CG1 4.19Å; V139-V184 HydrophobicContact CG2-CG2 3.71Å
140R98.4Very high96.3Very high4 Ų430.4 Ų30.42%0.01517%0.171CC..EExtended strand (participates in β ladder)trans-114.5129.8176.8-64.6-179.217880.77.2108.9S112 A131 T132 D136 V138 Y142 L155 H157 E158S112-R140 PolarHBondContact OG-NH1 2.85Å; S112-R140 VanDerWaalsContact OG-NH1 3.13Å; A131-R140 CarbonylContact C-O 3.52Å; A131-R140 WeakPolarHBondContact CA-O 3.45Å; T132-R140 PolarHBondContact N-O 2.84Å; T132-R140 PolarHBondContact O-N 2.78Å; D136-R140 IonicContact OD1-NH1 2.8Å; D136-R140 IonicContact OD2-CZ 3.21Å; D136-R140 IonicContact OD2-NH1 2.81Å; D136-R140 PolarHBondContact OD2-NH1 3.3Å; D136-R140 VanDerWaalsContact OD2-NH1 3.15Å; D136-R140 IonicContact OD2-NH2 3.76Å; D136-R140 PolarHBondContact OD2-NH2 3.21Å; D136-R140 VanDerWaalsContact OD2-NH2 3.1Å; V138-R140 HydrophobicContact CG1-CG 4.03Å; R140-Y142 HydrophobicContact CB-CD2 4.42Å; R140-Y142 HydrophobicContact CB-CE2 3.62Å; R140-L155 HydrophobicContact CB-CD1 3.78Å; R140-L155 HydrophobicContact CG-CD1 4.21Å; R140-H157 WeakPolarHBondContact CA-O 3.37Å; R140-E158 HydrophobicContact CG-CG 4.38Å; R140-E158 IonicContact CZ-OE2 3.75Å; R140-E158 IonicContact NE-OE2 3.55Å; R140-E158 PolarHBondContact NE-OE2 2.81Å; R140-E158 IonicContact NH2-OE2 3.5Å
141I98.4Very high96.1Very high0 Ų033.1 Ų33.10%019%0.19CC..EExtended strand (participates in β ladder)trans-114.4120.3179-57170.9000107.6M129 L130 A131 V139 Q156 H157 I159 W170 F182 Y209M129-I141 HydrophobicContact CE-CG2 3.49Å; M129-I141 VanDerWaalsContact CE-CG2 3.49Å; L130-I141 WeakPolarHBondContact O-CA 3.41Å; A131-I141 HydrophobicContact CB-CG1 4.29Å; V139-I141 HydrophobicContact CG1-CG1 4.29Å; I141-Q156 PolarHBondContact O-N 2.66Å; I141-H157 HydrophobicContact CB-CB 4.16Å; I141-H157 HydrophobicContact CD1-CB 4.21Å; I141-H157 HydrophobicContact CG1-CB 4.45Å; I141-H157 PolarHBondContact N-O 3.01Å; I141-H157 PolarHBondContact O-N 3.41Å; I141-I159 HydrophobicContact CD1-CD1 3.81Å; I141-W170 HydrophobicContact CD1-CH2 3.87Å; I141-W170 HydrophobicContact CD1-CZ2 4.47Å; I141-W170 HydrophobicContact CG1-CH2 4.32Å; I141-W170 HydrophobicContact CG1-CZ2 4.45Å; I141-W170 HydrophobicContact CG2-CH2 4.34Å; I141-W170 HydrophobicContact CG2-CZ2 4.39Å; I141-F182 HydrophobicContact CD1-CE1 3.89Å; I141-F182 HydrophobicContact CD1-CZ 4.47Å; I141-Y209 HydrophobicContact CD1-CD2 3.68Å; I141-Y209 HydrophobicContact CD1-CE2 3.41Å; I141-Y209 VanDerWaalsContact CD1-CE2 3.41Å; I141-Y209 HydrophobicContact CD1-CG 4.39Å
142Y98.5Very high96Very high3 Ų338.5 Ų38.51%0.01222%0.215CC..EExtended strand (participates in β ladder)trans-107.7146.8178-57.4-93000110L109 D111 M129 L130 T132 R140 S154 L155L109-Y142 HydrophobicContact CB-CE1 4.34Å; L109-Y142 HydrophobicContact CB-CE2 4.39Å; L109-Y142 HydrophobicContact CD1-CD1 4.26Å; L109-Y142 HydrophobicContact CD1-CD2 3.67Å; L109-Y142 HydrophobicContact CD1-CE1 4.4Å; L109-Y142 HydrophobicContact CD1-CE2 3.84Å; L109-Y142 HydrophobicContact CD1-CG 3.88Å; L109-Y142 HydrophobicContact CD2-CD1 3.87Å; L109-Y142 HydrophobicContact CD2-CE1 3.97Å; L109-Y142 HydrophobicContact CD2-CG 4.25Å; L109-Y142 HydrophobicContact CG-CE1 4.46Å; D111-Y142 WeakPolarHBondContact CB-OH 3.11Å; D111-Y142 WeakPolarHBondContact OD2-CE1 3.43Å; D111-Y142 PolarHBondContact OD2-OH 3.3Å; M129-Y142 CarbonylContact C-O 3.57Å; M129-Y142 WeakPolarHBondContact CA-O 3.37Å; M129-Y142 WeakPolarHBondContact CB-O 3.34Å; L130-Y142 PolarHBondContact N-O 3.05Å; L130-Y142 PolarHBondContact O-N 3.46Å; T132-Y142 HydrophobicContact CG2-CD2 4.47Å; T132-Y142 HydrophobicContact CG2-CE2 4.16Å; R140-Y142 HydrophobicContact CB-CD2 4.42Å; R140-Y142 HydrophobicContact CB-CE2 3.62Å; Y142-S154 CarbonylContact C-O 3.56Å; Y142-S154 WeakPolarHBondContact CA-O 3.18Å; Y142-L155 HydrophobicContact CD1-CB 4.04Å; Y142-L155 HydrophobicContact CD1-CD1 4.05Å; Y142-L155 HydrophobicContact CE1-CB 3.94Å; Y142-L155 HydrophobicContact CE1-CD1 3.72Å; Y142-L155 HydrophobicContact CE1-CG 4.36Å; Y142-L155 HydrophobicContact CE2-CD1 4.34Å
143E97.7Very high96Very high65 Ų6540 Ų4030%0.30422%0.221SC..EExtended strand (participates in β ladder)trans-128134.5173.8-177.7179.7179.800109.1M129 P145 S154 Q156M129-E143 HydrophobicContact CE-CB 4.45Å; M129-E143 HydrophobicContact CG-CB 4.2Å; M129-E143 HydrophobicContact CG-CG 4.11Å; E143-P145 VanDerWaalsContact O-CD 3.26Å; E143-P145 WeakPolarHBondContact O-CD 3.3Å; E143-S154 PolarHBondContact N-O 2.8Å; E143-S154 PolarHBondContact O-N 2.81Å; E143-S154 PolarHBondContact O-OG 2.7Å; E143-Q156 HydrophobicContact CB-CG 3.52Å
144A97.3Very high96Very high4 Ų441.6 Ų41.63%0.03323%0.232CC..  trans-84.8106.3166.600000108.5L128 D146 W153L128-A144 HydrophobicContact CB-CB 4.2Å; L128-A144 HydrophobicContact CD2-CB 3.78Å; L128-A144 HydrophobicContact CG-CB 3.96Å; L128-A144 PolarHBondContact O-N 3.44Å; A144-D146 PolarHBondContact O-N 3.28Å; A144-W153 HydrophobicContact CB-CD2 4.07Å; A144-W153 HydrophobicContact CB-CE3 4.26Å; A144-W153 HydrophobicContact CB-CH2 4.23Å; A144-W153 HydrophobicContact CB-CZ2 4.02Å; A144-W153 HydrophobicContact CB-CZ3 4.34Å
145P94.6Very high96Very high88 Ų8844.9 Ų44.957%0.57125%0.249SC*.SBendtrans-66.4-28.5-176.1-19.534.3000112.4E143E143-P145 VanDerWaalsContact O-CD 3.26Å; E143-P145 WeakPolarHBondContact O-CD 3.3Å
146D93.9Very high96.1Very high73 Ų7346.6 Ų46.639%0.3925%0.25SC..  trans-122.2110.8175.3-1785.1000109.6A144 M148 N149A144-D146 PolarHBondContact O-N 3.28Å; D146-M148 PolarHBondContact O-N 2.69Å; D146-M148 VanDerWaalsContact OD1-CB 3.27Å; D146-M148 WeakPolarHBondContact OD1-CB 3.25Å; D146-M148 PolarHBondContact OD1-N 3.18Å; D146-N149 HydrophobicContact CB-CB 4.23Å; D146-N149 CarbonylContact O-C 3.56Å; D146-N149 PolarHBondContact O-N 2.79Å
147V92.6Very high96.2Very high66 Ų6645.6 Ų45.640%0.424%0.243SC..THydrogen-bonded Turntrans-65.7-19178-620000112.7F70 L128 L150F70-V147 HydrophobicContact CD1-CB 4.38Å; F70-V147 HydrophobicContact CD1-CG1 3.82Å; F70-V147 HydrophobicContact CE1-CG1 4.07Å; L128-V147 HydrophobicContact CB-CG1 4.06Å; V147-L150 WeakPolarHBondContact O-CD2 3.42Å
148M91.5Very high96.4Very high164 Ų16451.2 Ų51.281%0.80827%0.269SS*.THydrogen-bonded Turntrans-81.1-20174.5-56.5-59.9-64.700112D146D146-M148 PolarHBondContact O-N 2.69Å; D146-M148 VanDerWaalsContact OD1-CB 3.27Å; D146-M148 WeakPolarHBondContact OD1-CB 3.25Å; D146-M148 PolarHBondContact OD1-N 3.18Å
149N92.9Very high96.3Very high52 Ų5251.2 Ų51.228%0.27827%0.269SS..  trans-119.578.9179.5-172.73.7000111.8D146 S151 Q152D146-N149 HydrophobicContact CB-CB 4.23Å; D146-N149 CarbonylContact O-C 3.56Å; D146-N149 PolarHBondContact O-N 2.79Å; N149-S151 PolarHBondContact O-N 2.88Å; N149-S151 WeakPolarHBondContact OD1-CB 3.3Å; N149-S151 PolarHBondContact OD1-N 3.23Å; N149-S151 PolarHBondContact OD1-OG 2.93Å; N149-Q152 PolarHBondContact O-N 2.83Å; N149-Q152 VanDerWaalsContact O-N 3.16Å
150L94.5Very high96.3Very high6 Ų654.8 Ų54.83%0.03129%0.294CS..THydrogen-bonded Turntrans-66.6-3.1-179.8-59.4-171.3000114.9V73 E87 R106 L128 V147 Q152 W153V73-L150 HydrophobicContact CG1-CD1 4.32Å; V73-L150 HydrophobicContact CG2-CD1 3.38Å; E87-L150 HydrophobicContact CB-CD1 4.1Å; E87-L150 HydrophobicContact CG-CD1 4.04Å; E87-L150 WeakPolarHBondContact OE2-CD1 3.48Å; R106-L150 HydrophobicContact CB-CB 3.95Å; R106-L150 WeakPolarHBondContact CB-O 3.22Å; R106-L150 HydrophobicContact CG-CB 3.85Å; L128-L150 HydrophobicContact CD2-CD2 3.36Å; V147-L150 WeakPolarHBondContact O-CD2 3.42Å; L150-Q152 VanDerWaalsContact C-N 3.33Å; L150-W153 VanDerWaalsContact O-CD1 3.23Å; L150-W153 PolarHBondContact O-NE1 2.94Å
151S95.7Very high96Very high57 Ų5754.7 Ų54.740%0.39929%0.294SS..THydrogen-bonded Turntrans-76.8-22.717473.30000112.9R106 N149R106-S151 WeakPolarHBondContact O-CA 3.23Å; N149-S151 PolarHBondContact O-N 2.88Å; N149-S151 WeakPolarHBondContact OD1-CB 3.3Å; N149-S151 PolarHBondContact OD1-N 3.23Å; N149-S151 PolarHBondContact OD1-OG 2.93Å
152Q95.8Very high95.7Very high112 Ų11262.8 Ų62.852%0.52333%0.329SS..  trans-101.4115.3-176.4-67.1-173.3-7.700110.9N149 L150N149-Q152 PolarHBondContact O-N 2.83Å; N149-Q152 VanDerWaalsContact O-N 3.16Å; L150-Q152 VanDerWaalsContact C-N 3.33Å
153W97.9Very high95.4Very high33 Ų3363.2 Ų63.213%0.12533%0.331CS..  trans-128.9128.5175.3-72.972.6000108.7V85 T107 L109 F121 L128 L130 A144 L150V85-W153 HydrophobicContact CB-CZ2 4.47Å; V85-W153 HydrophobicContact CG1-CZ2 3.92Å; V85-W153 HydrophobicContact CG2-CD2 4.49Å; V85-W153 HydrophobicContact CG2-CZ2 3.91Å; T107-W153 HydrophobicContact CG2-CB 4.44Å; T107-W153 HydrophobicContact CG2-CG 3.83Å; L109-W153 HydrophobicContact CD2-CB 3.86Å; L109-W153 HydrophobicContact CD2-CG 4.37Å; F121-W153 AromaticContact CE1-CH2 3.88Å; F121-W153 HydrophobicContact CE1-CH2 3.88Å; L128-W153 HydrophobicContact CD1-CH2 3.94Å; L128-W153 HydrophobicContact CD1-CZ2 4.45Å; L128-W153 HydrophobicContact CD2-CH2 4.16Å; L128-W153 HydrophobicContact CD2-CZ2 4.02Å; L128-W153 HydrophobicContact CG-CH2 3.64Å; L128-W153 HydrophobicContact CG-CZ2 4.03Å; L128-W153 HydrophobicContact CG-CZ3 4.49Å; L130-W153 HydrophobicContact CB-CE3 4.27Å; L130-W153 HydrophobicContact CB-CH2 4.02Å; L130-W153 HydrophobicContact CB-CZ3 3.49Å; L130-W153 VanDerWaalsContact CB-CZ3 3.49Å; A144-W153 HydrophobicContact CB-CD2 4.07Å; A144-W153 HydrophobicContact CB-CE3 4.26Å; A144-W153 HydrophobicContact CB-CH2 4.23Å; A144-W153 HydrophobicContact CB-CZ2 4.02Å; A144-W153 HydrophobicContact CB-CZ3 4.34Å; L150-W153 VanDerWaalsContact O-CD1 3.23Å; L150-W153 PolarHBondContact O-NE1 2.94Å
154S97.4Very high95.3Very high35 Ų3561.3 Ų61.325%0.24533%0.325CS..EExtended strand (participates in β ladder)trans-105.7131.8-179.957.20000109.8Y142 E143 Q156Y142-S154 CarbonylContact C-O 3.56Å; Y142-S154 WeakPolarHBondContact CA-O 3.18Å; E143-S154 PolarHBondContact N-O 2.8Å; E143-S154 PolarHBondContact O-N 2.81Å; E143-S154 PolarHBondContact O-OG 2.7Å; S154-Q156 PolarHBondContact O-N 2.93Å; S154-Q156 PolarHBondContact OG-NE2 2.91Å
155L98Very high95.2Very high68 Ų6861.2 Ų61.236%0.35632%0.324SS..EExtended strand (participates in β ladder)trans-73.2110.3171.9178.664.3000109R140 Y142 H157R140-L155 HydrophobicContact CB-CD1 3.78Å; R140-L155 HydrophobicContact CG-CD1 4.21Å; Y142-L155 HydrophobicContact CD1-CB 4.04Å; Y142-L155 HydrophobicContact CD1-CD1 4.05Å; Y142-L155 HydrophobicContact CE1-CB 3.94Å; Y142-L155 HydrophobicContact CE1-CD1 3.72Å; Y142-L155 HydrophobicContact CE1-CG 4.36Å; Y142-L155 HydrophobicContact CE2-CD1 4.34Å; L155-H157 WeakPolarHBondContact CD1-O 3.22Å
156Q97.1Very high95.3Very high82 Ų8257.4 Ų57.438%0.38330%0.3SS..EExtended strand (participates in β ladder)trans-87.6-43.3-178.9-66.3-59.7-34.500111.8I141 E143 S154I141-Q156 PolarHBondContact O-N 2.66Å; E143-Q156 HydrophobicContact CB-CG 3.52Å; S154-Q156 PolarHBondContact O-N 2.93Å; S154-Q156 PolarHBondContact OG-NE2 2.91Å
157H97.4Very high95.5Very high30 Ų3053.9 Ų53.914%0.13928%0.281CS..EExtended strand (participates in β ladder)trans-139.6138.4-175.5-56.8-56.8000112.2R140 I141 L155 I159 Y202 R207 Y209R140-H157 WeakPolarHBondContact CA-O 3.37Å; I141-H157 HydrophobicContact CB-CB 4.16Å; I141-H157 HydrophobicContact CD1-CB 4.21Å; I141-H157 HydrophobicContact CG1-CB 4.45Å; I141-H157 PolarHBondContact N-O 3.01Å; I141-H157 PolarHBondContact O-N 3.41Å; L155-H157 WeakPolarHBondContact CD1-O 3.22Å; H157-I159 HydrophobicContact CB-CD1 4.17Å; H157-I159 HydrophobicContact CB-CG1 4.24Å; H157-Y202 AromaticContact NE2-CE2 3.71Å; H157-R207 PolarHBondContact CE1-O 2.91Å; H157-Y209 HydrophobicContact CB-CD2 4.46Å; H157-Y209 AromaticContact CD2-CD2 3.53Å; H157-Y209 AromaticContact CD2-CE2 3.45Å; H157-Y209 VanDerWaalsContact CD2-CE2 3.45Å; H157-Y209 WeakPolarHBondContact CD2-CE2 3.33Å; H157-Y209 AromaticContact CG-CD2 3.94Å; H157-Y209 AromaticContact NE2-CD2 3.94Å; H157-Y209 AromaticContact NE2-CE2 3.8Å
158E97.4Very high95.7Very high118 Ų11850.8 Ų50.855%0.55126%0.262SS*.EExtended strand (participates in β ladder)trans-119.8117.3166.9-171171.110800108.4V138 R140V138-E158 HydrophobicContact CG1-CG 3.31Å; R140-E158 HydrophobicContact CG-CG 4.38Å; R140-E158 IonicContact CZ-OE2 3.75Å; R140-E158 IonicContact NE-OE2 3.55Å; R140-E158 PolarHBondContact NE-OE2 2.81Å; R140-E158 IonicContact NH2-OE2 3.5Å
159I97.6Very high96.1Very high15 Ų1543.8 Ų43.88%0.07723%0.229CC..EExtended strand (participates in β ladder)trans-124115-169.9-58.1160.1000108.5V138 V139 I141 H157 F182 Y200 Y209V138-I159 WeakPolarHBondContact CA-O 3.47Å; V139-I159 HydrophobicContact CB-CB 4.4Å; V139-I159 PolarHBondContact N-O 3.41Å; V139-I159 PolarHBondContact O-N 2.74Å; I141-I159 HydrophobicContact CD1-CD1 3.81Å; H157-I159 HydrophobicContact CB-CD1 4.17Å; H157-I159 HydrophobicContact CB-CG1 4.24Å; I159-F182 HydrophobicContact CD1-CE1 3.99Å; I159-F182 HydrophobicContact CD1-CZ 3.63Å; I159-Y200 HydrophobicContact CG2-CD1 3.73Å; I159-Y200 HydrophobicContact CG2-CE1 3.32Å; I159-Y200 HydrophobicContact CG2-CG 4.46Å; I159-Y209 VanDerWaalsContact CD1-CB 3.44Å; I159-Y209 HydrophobicContact CD1-CD2 3.89Å; I159-Y209 HydrophobicContact CD1-CG 3.77Å
160S96.6Very high96.3Very high75 Ų7542.1 Ų42.152%0.52422%0.219SC..EExtended strand (participates in β ladder)trans-84.3120.7176.2-1760000111.3Y200S160-Y200 PolarHBondContact O-OH 3.39Å
161C93.4Very high96.3Very high3 Ų342.1 Ų42.12%0.0222%0.219CC..  trans-89.2-11.6176.1-61.60000113.2G137 L163 Q198 Y200G137-C161 PolarHBondContact O-N 3.25Å; C161-L163 PolarHBondContact O-N 2.7Å; C161-L163 VanDerWaalsContact O-N 3.08Å; C161-Q198 PolarHBondContact O-NE2 2.91Å; C161-Q198 PolarHBondContact O-OE1 3.18Å; C161-Y200 WeakPolarHBondContact CA-OH 3.44Å
162K91.4Very high96.2Very high170 Ų17041.6 Ų41.674%0.73921%0.214SC*.SBendtrans60.38.8-177.2-51.3-177.5178-175.50115
163L92.6Very high95.8Very high12 Ų1236.9 Ų36.96%0.06319%0.194CC..SBendtrans-136.5148.6177.6-61.7175.8000107.5G137 C161 C165 Y193G137-L163 WeakPolarHBondContact CA-O 3.49Å; C161-L163 PolarHBondContact O-N 2.7Å; C161-L163 VanDerWaalsContact O-N 3.08Å; L163-C165 PolarHBondContact O-N 2.8Å; L163-Y193 HydrophobicContact CD2-CD1 3.53Å; L163-Y193 HydrophobicContact CD2-CD2 3.52Å; L163-Y193 HydrophobicContact CD2-CE1 3.92Å; L163-Y193 HydrophobicContact CD2-CE2 3.92Å; L163-Y193 HydrophobicContact CD2-CG 3.3Å
164S94.7Very high95.1Very high25 Ų2539.1 Ų39.118%0.17522%0.215CC..  trans-57.4129.2173.260.90000109.9A135 S186 D187A135-S164 WeakPolarHBondContact O-CA 3.35Å; A135-S164 WeakPolarHBondContact O-CB 3.34Å; S164-S186 WeakPolarHBondContact O-CA 3.2Å; S164-S186 WeakPolarHBondContact O-CB 3.41Å; S164-S186 PolarHBondContact O-OG 2.89Å; S164-D187 PolarHBondContact OG-OD1 2.82Å
165C95.8Very high94.3Very high2 Ų240 Ų401%0.01422%0.22CC..  trans-87.2131.8178-56.60000109.3T117 C133 S134 L163 V184T117-C165 WeakPolarHBondContact CB-O 3.36Å; T117-C165 PolarHBondContact OG1-O 2.96Å; C133-C165 HydrophobicContact CB-CB 3.55Å; S134-C165 WeakPolarHBondContact O-CB 3.4Å; S134-C165 PolarHBondContact O-N 2.9Å; L163-C165 PolarHBondContact O-N 2.8Å; C165-V184 HydrophobicContact CB-CG1 3.86Å; C165-V184 VanDerWaalsContact SG-CG1 3.59Å
166S96.6Very high93.3Very high7 Ų748.7 Ų48.75%0.04925%0.249CC..  trans-109.5-32.217862.30000113.2G185 D187 V222S166-G185 PolarHBondContact N-O 3.08Å; S166-G185 PolarHBondContact OG-O 3.49Å; S166-D187 PolarHBondContact OG-N 2.95Å; S166-V222 WeakPolarHBondContact CB-O 3.32Å; S166-V222 PolarHBondContact OG-O 2.89Å
167C97.6Very high92.3Very high0 Ų048.6 Ų48.60%026%0.262CS..EExtended strand (participates in β ladder)trans-153.6153-176.252.10000110.9D118 V184 G185D118-C167 WeakPolarHBondContact OD2-CA 3.5Å; C167-V184 WeakPolarHBondContact O-CA 3.43Å; C167-G185 PolarHBondContact O-N 2.92Å
168I98.3Very high91.6Very high0 Ų049.1 Ų49.10%026%0.264CS..EExtended strand (participates in β ladder)trans-136.3143176.9-169.1171.1000110.7D118 K120 A131 C133 V139 F182 A183 V184D118-I168 HydrophobicContact CB-CG2 3.94Å; D118-I168 PolarHBondContact OD2-N 2.95Å; K120-I168 HydrophobicContact CB-CG2 4.25Å; K120-I168 HydrophobicContact CG-CG2 3.75Å; K120-I168 WeakPolarHBondContact CG-O 3.39Å; A131-I168 HydrophobicContact CB-CD1 3.7Å; C133-I168 HydrophobicContact CB-CB 4.4Å; V139-I168 HydrophobicContact CG1-CD1 3.65Å; V139-I168 HydrophobicContact CG2-CD1 4.22Å; I168-F182 HydrophobicContact CD1-CD2 3.84Å; I168-F182 HydrophobicContact CD1-CE2 4.2Å; I168-F182 HydrophobicContact CD1-CG 4.42Å; I168-F182 HydrophobicContact CG1-CD2 4.05Å; I168-A183 WeakPolarHBondContact CA-O 3.4Å; I168-V184 HydrophobicContact CD1-CG2 4.45Å; I168-V184 HydrophobicContact CG1-CG2 4.32Å
169S98.4Very high91.2Very high18 Ų1845.2 Ų45.213%0.12625%0.249CC..EExtended strand (participates in β ladder)trans-137.7122.8174.8-160.50000110.8F182 A183 I225 A226 F227S169-F182 CarbonylContact O-C 3.51Å; S169-F182 VanDerWaalsContact O-CA 3.22Å; S169-F182 WeakPolarHBondContact O-CA 3.45Å; S169-F182 WeakPolarHBondContact O-CB 3.4Å; S169-A183 PolarHBondContact N-O 3.04Å; S169-A183 PolarHBondContact O-N 3.02Å; S169-I225 WeakPolarHBondContact CB-O 3.3Å; S169-I225 PolarHBondContact OG-O 2.79Å; S169-A226 WeakPolarHBondContact OG-CA 3.49Å; S169-F227 VanDerWaalsContact O-CD2 3.3Å; S169-F227 WeakPolarHBondContact O-CD2 3.33Å; S169-F227 WeakPolarHBondContact O-CE2 3.49Å; S169-F227 PolarHBondContact OG-N 2.88Å
170W97.8Very high90.9Very high16 Ų1645.9 Ų45.96%0.06126%0.255CS..EExtended strand (participates in β ladder)trans-74.3142.9169.3-70.8107.2000110.5K120 A122 P123 A131 I141 P172 F182 Y209 F227K120-W170 PolarHBondContact O-NE1 2.93Å; K120-W170 VanDerWaalsContact O-NE1 3.09Å; A122-W170 HydrophobicContact CB-CD2 4.14Å; A122-W170 HydrophobicContact CB-CH2 4.37Å; A122-W170 HydrophobicContact CB-CZ2 3.89Å; P123-W170 HydrophobicContact CG-CB 4.31Å; A131-W170 HydrophobicContact CB-CZ2 3.51Å; I141-W170 HydrophobicContact CD1-CH2 3.87Å; I141-W170 HydrophobicContact CD1-CZ2 4.47Å; I141-W170 HydrophobicContact CG1-CH2 4.32Å; I141-W170 HydrophobicContact CG1-CZ2 4.45Å; I141-W170 HydrophobicContact CG2-CH2 4.34Å; I141-W170 HydrophobicContact CG2-CZ2 4.39Å; W170-P172 VanDerWaalsContact O-CD 3.25Å; W170-P172 WeakPolarHBondContact O-CD 3.38Å; W170-F182 HydrophobicContact CD2-CB 4.14Å; W170-F182 HydrophobicContact CE3-CB 3.73Å; W170-F182 HydrophobicContact CE3-CD1 4.15Å; W170-F182 HydrophobicContact CE3-CG 4.35Å; W170-F182 HydrophobicContact CH2-CD1 4.16Å; W170-F182 HydrophobicContact CZ3-CB 4.19Å; W170-F182 AromaticContact CZ3-CD1 3.7Å; W170-F182 HydrophobicContact CZ3-CD1 3.7Å; W170-F182 HydrophobicContact CZ3-CG 4.33Å; W170-Y209 HydrophobicContact CZ3-CE1 4.31Å; W170-Y209 WeakPolarHBondContact CZ3-OH 3.44Å; W170-F227 WeakPolarHBondContact O-CB 3.45Å
171N95.7Very high90.9Very high6 Ų642.5 Ų42.53%0.03223%0.231CC..  trans-72.4116.2165.3-179.1-8.7000109.1P123 S173 M181 F227 H236P123-N171 WeakPolarHBondContact CG-O 3.32Å; N171-S173 PolarHBondContact O-N 2.92Å; N171-S173 WeakPolarHBondContact OD1-CB 3.16Å; N171-S173 PolarHBondContact OD1-N 2.92Å; N171-M181 HydrophobicContact CB-CG 3.31Å; N171-M181 WeakPolarHBondContact CB-O 3.32Å; N171-M181 HydrophobicContact CB-SD 4.16Å; N171-M181 PolarHBondContact N-O 2.82Å; N171-M181 VanDerWaalsContact ND2-CG 3.33Å; N171-M181 WeakPolarHBondContact ND2-CG 3.41Å; N171-M181 PolarHBondContact ND2-SD 3.41Å; N171-F227 HydrophobicContact CB-CD1 4.07Å; N171-F227 HydrophobicContact CB-CD2 4.16Å; N171-F227 HydrophobicContact CB-CE1 4.19Å; N171-F227 HydrophobicContact CB-CE2 4.26Å; N171-F227 HydrophobicContact CB-CG 4.05Å; N171-F227 HydrophobicContact CB-CZ 4.29Å; N171-H236 PolarHBondContact ND2-CE1 2.82Å; N171-H236 VanDerWaalsContact ND2-CE1 3.33Å; N171-H236 VanDerWaalsContact ND2-CG 3.35Å; N171-H236 PolarHBondContact ND2-ND1 2.92Å; N171-H236 PolarHBondContact ND2-NE2 2.73Å
172P93Very high91.1Very high46 Ų4642.4 Ų42.430%0.29923%0.23SC..  trans-74.9-2.9-176.133.9-39.4000114.1W170 S174 P229W170-P172 VanDerWaalsContact O-CD 3.25Å; W170-P172 WeakPolarHBondContact O-CD 3.38Å; P172-S174 PolarHBondContact O-N 2.65Å; P172-P229 HydrophobicContact CG-CB 4.47Å; P172-P229 HydrophobicContact CG-CG 4.47Å
173S87.9Confident91.4Very high14 Ų1434.3 Ų34.310%0.09819%0.194CC..  trans-56.5119.4-179.6173.60000111.8H125 N171 S175H125-S173 PolarHBondContact CE1-O 2.91Å; H125-S173 VanDerWaalsContact CE1-O 3.28Å; N171-S173 PolarHBondContact O-N 2.92Å; N171-S173 WeakPolarHBondContact OD1-CB 3.16Å; N171-S173 PolarHBondContact OD1-N 2.92Å; S173-S175 VanDerWaalsContact C-N 3.26Å; S173-S175 PolarHBondContact O-N 3.18Å; S173-S175 WeakPolarHBondContact OG-CB 3.28Å; S173-S175 PolarHBondContact OG-N 2.97Å
174S82.9Confident91.7Very high80 Ų8034 Ų3456%0.55919%0.193SC*.  trans-85.95.9171.8-57.40000113.7H125 P172 R176H125-S174 VanDerWaalsContact CE1-CA 3.49Å; H125-S174 WeakPolarHBondContact CE1-CA 3.25Å; H125-S174 PolarHBondContact ND1-OG 3.42Å; P172-S174 PolarHBondContact O-N 2.65Å; S174-R176 PolarHBondContact O-N 2.94Å
175S80.3Confident91.8Very high52 Ų5232.8 Ų32.836%0.36419%0.185SC..  trans-68.9118.7179.8-179.10000110.7S173 A177 H178S173-S175 VanDerWaalsContact C-N 3.26Å; S173-S175 PolarHBondContact O-N 3.18Å; S173-S175 WeakPolarHBondContact OG-CB 3.28Å; S173-S175 PolarHBondContact OG-N 2.97Å; S175-A177 PolarHBondContact O-N 2.96Å; S175-A177 VanDerWaalsContact O-N 3.12Å; S175-A177 WeakPolarHBondContact OG-CB 3.24Å; S175-A177 PolarHBondContact OG-N 3.48Å; S175-H178 PolarHBondContact O-N 3.09Å; S175-H178 VanDerWaalsContact O-N 3.14Å; S175-H178 VanDerWaalsContact O-O 3.13Å
176R75.8Confident91.8Very high251 Ų25132.9 Ų32.995%0.94719%0.185SC*.THydrogen-bonded Turntrans-63.7-12.2171.2-65.1-175.3-178.3-83.80.2113.4S174 H178S174-R176 PolarHBondContact O-N 2.94Å; R176-H178 PolarHBondContact O-N 2.88Å
177A77Confident91.7Very high80 Ų8036.1 Ų36.166%0.66120%0.202SC*.THydrogen-bonded Turntrans-74-17.7175.900000112.7S175S175-A177 PolarHBondContact O-N 2.96Å; S175-A177 VanDerWaalsContact O-N 3.12Å; S175-A177 WeakPolarHBondContact OG-CB 3.24Å; S175-A177 PolarHBondContact OG-N 3.48Å
178H82.6Confident91.4Very high42 Ų4238.2 Ų38.219%0.19421%0.213CC..SBendtrans-117.6130.4178.8-58.2-64.1000109.8S175 R176 H236S175-H178 PolarHBondContact O-N 3.09Å; S175-H178 VanDerWaalsContact O-N 3.14Å; S175-H178 VanDerWaalsContact O-O 3.13Å; R176-H178 PolarHBondContact O-N 2.88Å; H178-H236 AromaticContact CD2-CE1 3.67Å; H178-H236 AromaticContact CD2-NE2 3.97Å; H178-H236 AromaticContact CG-CE1 3.79Å; H178-H236 AromaticContact CG-NE2 3.66Å; H178-H236 AromaticContact ND1-NE2 3.91Å
179P88.8Confident90.7Very high36 Ų3643 Ų4323%0.23425%0.247CC..  trans-62.4150.2173.420.5-26.7000110.9M181 E201 Y202P179-M181 PolarHBondContact O-N 2.88Å; P179-E201 HydrophobicContact CB-CG 3.86Å; P179-E201 VanDerWaalsContact CG-CD 3.43Å; P179-E201 HydrophobicContact CG-CG 3.51Å; P179-E201 WeakPolarHBondContact CG-OE1 3.45Å; P179-Y202 WeakPolarHBondContact CB-O 3.44Å
180P92.8Very high90Very high29 Ų2945.2 Ų45.219%0.18826%0.258CS..  trans-51.4135.9172.8-28.134.7000111.8M126 Y202M126-P180 HydrophobicContact CE-CB 4.37Å; M126-P180 HydrophobicContact CG-CG 4.45Å; M126-P180 HydrophobicContact SD-CB 3.64Å; M126-P180 HydrophobicContact SD-CG 3.94Å; P180-Y202 HydrophobicContact CG-CD1 4.48Å; P180-Y202 WeakPolarHBondContact O-CB 3.47Å; P180-Y202 PolarHBondContact O-N 2.91Å
181M94.9Very high88.8Confident4 Ų450.6 Ų50.62%0.0229%0.292CS..EExtended strand (participates in β ladder)trans-145.6156.3179.567.5177.762.100111.4N171 P179 Y200 F227N171-M181 HydrophobicContact CB-CG 3.31Å; N171-M181 WeakPolarHBondContact CB-O 3.32Å; N171-M181 HydrophobicContact CB-SD 4.16Å; N171-M181 PolarHBondContact N-O 2.82Å; N171-M181 VanDerWaalsContact ND2-CG 3.33Å; N171-M181 WeakPolarHBondContact ND2-CG 3.41Å; N171-M181 PolarHBondContact ND2-SD 3.41Å; P179-M181 PolarHBondContact O-N 2.88Å; M181-Y200 CarbonylContact C-O 3.58Å; M181-Y200 WeakPolarHBondContact CA-O 3.22Å; M181-Y200 WeakPolarHBondContact CB-O 3.31Å; M181-F227 HydrophobicContact CG-CZ 4.44Å; M181-F227 HydrophobicContact SD-CE1 4.35Å; M181-F227 HydrophobicContact SD-CZ 4.3Å
182F97.5Very high87.8Confident0 Ų056 Ų560%033%0.325CS..EExtended strand (participates in β ladder)trans-144.8161.5172.365.5-94.3000110.4V139 I141 I159 I168 S169 W170 V184 Y200 Y209V139-F182 HydrophobicContact CB-CE2 4.49Å; V139-F182 HydrophobicContact CG1-CE2 4.09Å; V139-F182 HydrophobicContact CG1-CZ 4.13Å; V139-F182 HydrophobicContact CG2-CE2 4.37Å; I141-F182 HydrophobicContact CD1-CE1 3.89Å; I141-F182 HydrophobicContact CD1-CZ 4.47Å; I159-F182 HydrophobicContact CD1-CE1 3.99Å; I159-F182 HydrophobicContact CD1-CZ 3.63Å; I168-F182 HydrophobicContact CD1-CD2 3.84Å; I168-F182 HydrophobicContact CD1-CE2 4.2Å; I168-F182 HydrophobicContact CD1-CG 4.42Å; I168-F182 HydrophobicContact CG1-CD2 4.05Å; S169-F182 CarbonylContact O-C 3.51Å; S169-F182 VanDerWaalsContact O-CA 3.22Å; S169-F182 WeakPolarHBondContact O-CA 3.45Å; S169-F182 WeakPolarHBondContact O-CB 3.4Å; W170-F182 HydrophobicContact CD2-CB 4.14Å; W170-F182 HydrophobicContact CE3-CB 3.73Å; W170-F182 HydrophobicContact CE3-CD1 4.15Å; W170-F182 HydrophobicContact CE3-CG 4.35Å; W170-F182 HydrophobicContact CH2-CD1 4.16Å; W170-F182 HydrophobicContact CZ3-CB 4.19Å; W170-F182 AromaticContact CZ3-CD1 3.7Å; W170-F182 HydrophobicContact CZ3-CD1 3.7Å; W170-F182 HydrophobicContact CZ3-CG 4.33Å; F182-V184 HydrophobicContact CD2-CG2 3.61Å; F182-V184 HydrophobicContact CE2-CG2 3.42Å; F182-V184 VanDerWaalsContact CE2-CG2 3.42Å; F182-Y200 AromaticContact CE2-CD2 3.82Å; F182-Y200 HydrophobicContact CE2-CD2 3.82Å; F182-Y200 AromaticContact CE2-CG 3.99Å; F182-Y200 HydrophobicContact CE2-CG 3.99Å; F182-Y200 HydrophobicContact CZ-CD2 4.15Å; F182-Y200 AromaticContact CZ-CG 3.85Å; F182-Y200 HydrophobicContact CZ-CG 3.85Å; F182-Y200 PolarHBondContact N-O 3.22Å; F182-Y200 PolarHBondContact O-N 3.23Å; F182-Y209 AromaticContact CD1-CD1 3.88Å; F182-Y209 HydrophobicContact CD1-CD1 3.88Å; F182-Y209 AromaticContact CD1-CE1 3.66Å; F182-Y209 HydrophobicContact CD1-CE1 3.66Å; F182-Y209 AromaticContact CE1-CD1 3.34Å; F182-Y209 HydrophobicContact CE1-CD1 3.34Å; F182-Y209 HydrophobicContact CE1-CD2 4.43Å; F182-Y209 AromaticContact CE1-CE1 3.54Å; F182-Y209 HydrophobicContact CE1-CE1 3.54Å; F182-Y209 AromaticContact CE1-CG 3.81Å; F182-Y209 HydrophobicContact CE1-CG 3.81Å; F182-Y209 HydrophobicContact CZ-CD1 4.36Å
183A98.3Very high86.7Confident0 Ų058.8 Ų58.80%033%0.331CS..EExtended strand (participates in β ladder)trans-120.3141.4178.300000108.6I168 S169 Q198 I199 I225 F227 L238I168-A183 WeakPolarHBondContact CA-O 3.4Å; S169-A183 PolarHBondContact N-O 3.04Å; S169-A183 PolarHBondContact O-N 3.02Å; A183-Q198 WeakPolarHBondContact CA-O 3.32Å; A183-I199 HydrophobicContact CB-CG1 4.31Å; A183-I225 HydrophobicContact CB-CG2 4.16Å; A183-F227 HydrophobicContact CB-CD2 4.29Å; A183-F227 HydrophobicContact CB-CE2 3.45Å; A183-F227 VanDerWaalsContact CB-CE2 3.45Å; A183-F227 HydrophobicContact CB-CZ 4Å; A183-L238 HydrophobicContact CB-CD1 4.12Å; A183-L238 HydrophobicContact CB-CD2 4.05Å
184V98.2Very high86.1Confident5 Ų559.9 Ų59.93%0.0334%0.344CS..EExtended strand (participates in β ladder)trans-123.2131.3179.2-172.70000108.2V139 C165 C167 I168 F182 V197 Q198 Y200V139-V184 HydrophobicContact CG2-CG1 4.19Å; V139-V184 HydrophobicContact CG2-CG2 3.71Å; C165-V184 HydrophobicContact CB-CG1 3.86Å; C165-V184 VanDerWaalsContact SG-CG1 3.59Å; C167-V184 WeakPolarHBondContact O-CA 3.43Å; I168-V184 HydrophobicContact CD1-CG2 4.45Å; I168-V184 HydrophobicContact CG1-CG2 4.32Å; F182-V184 HydrophobicContact CD2-CG2 3.61Å; F182-V184 HydrophobicContact CE2-CG2 3.42Å; F182-V184 VanDerWaalsContact CE2-CG2 3.42Å; V184-V197 WeakPolarHBondContact O-CA 3.18Å; V184-Q198 PolarHBondContact N-O 2.69Å; V184-Q198 PolarHBondContact O-N 3.3Å; V184-Y200 HydrophobicContact CG2-CD2 4.35Å; V184-Y200 HydrophobicContact CG2-CE2 4.49Å
185G97.4Very high86.5Confident1 Ų156.3 Ų56.31%0.0132%0.32CS..EExtended strand (participates in β ladder)trans-102.8151.5173.400000111.4S166 C167 I225S166-G185 PolarHBondContact N-O 3.08Å; S166-G185 PolarHBondContact OG-O 3.49Å; C167-G185 PolarHBondContact O-N 2.92Å; G185-I225 VanDerWaalsContact CA-CD1 3.42Å
186S96.9Very high87.2Confident3 Ų354.3 Ų54.32%0.02131%0.305CS..  trans-121.2133.5173.1-1770000110.8S164 D188 K196 V222S164-S186 WeakPolarHBondContact O-CA 3.2Å; S164-S186 WeakPolarHBondContact O-CB 3.41Å; S164-S186 PolarHBondContact O-OG 2.89Å; S186-D188 VanDerWaalsContact C-N 3.34Å; S186-D188 WeakPolarHBondContact OG-CB 3Å; S186-D188 PolarHBondContact OG-N 3.33Å; S186-K196 PolarHBondContact N-O 2.89Å; S186-V222 WeakPolarHBondContact O-CB 3.31Å; S186-V222 WeakPolarHBondContact O-CG2 3.38Å; S186-V222 PolarHBondContact O-N 3.24Å
187D94.3Very high88.2Confident75 Ų7542.4 Ų42.440%0.40126%0.26SS..  trans-92.96170.864.3-13.9000112.6S164 S166 S189 A221S164-D187 PolarHBondContact OG-OD1 2.82Å; S166-D187 PolarHBondContact OG-N 2.95Å; D187-S189 PolarHBondContact O-N 3.39Å; D187-A221 HydrophobicContact CB-CB 4.49Å
188D91.3Very high89.2Confident44 Ų4439.4 Ų39.424%0.23523%0.232CC..  trans-54.2125.9179.4-166.6-21.4000109.4S186 N190 K196S186-D188 VanDerWaalsContact C-N 3.34Å; S186-D188 WeakPolarHBondContact OG-CB 3Å; S186-D188 PolarHBondContact OG-N 3.33Å; D188-N190 PolarHBondContact O-N 3.32Å; D188-N190 VanDerWaalsContact OD1-CB 3.23Å; D188-N190 WeakPolarHBondContact OD1-CB 3.36Å; D188-N190 PolarHBondContact OD1-N 3.48Å; D188-K196 WeakPolarHBondContact O-CE 3.41Å; D188-K196 PolarHBondContact O-NZ 2.97Å
189S82.8Confident89.8Confident102 Ų10237.4 Ų37.471%0.71322%0.223SC*.  trans-75.4-13179.463.60000112.9D187 V191D187-S189 PolarHBondContact O-N 3.39Å; S189-V191 PolarHBondContact O-N 3.15Å
190N83Confident90.2Very high64 Ų6436.2 Ų36.234%0.34221%0.214SC..  trans-65.7118.2-176.9-168.8-11.8000111.9D188 T192 Y193D188-N190 PolarHBondContact O-N 3.32Å; D188-N190 VanDerWaalsContact OD1-CB 3.23Å; D188-N190 WeakPolarHBondContact OD1-CB 3.36Å; D188-N190 PolarHBondContact OD1-N 3.48Å; N190-T192 VanDerWaalsContact C-N 3.25Å; N190-T192 PolarHBondContact O-N 3.49Å; N190-T192 VanDerWaalsContact OD1-CB 3.24Å; N190-T192 WeakPolarHBondContact OD1-CB 3.31Å; N190-T192 PolarHBondContact OD1-N 3.48Å; N190-T192 PolarHBondContact OD1-OG1 3.01Å; N190-Y193 HydrophobicContact CB-CD2 4.13Å; N190-Y193 HydrophobicContact CB-CE2 4.34Å
191V72.6Confident90.3Very high129 Ų12935 Ų3578%0.78221%0.205SC*.THydrogen-bonded Turntrans-78.8-9.8-176.9-167.60000112.2S189 Y193S189-V191 PolarHBondContact O-N 3.15Å; V191-Y193 PolarHBondContact O-N 3.47Å
192T75.1Confident90.2Very high119 Ų11936.6 Ų36.673%0.7321%0.212SC*.THydrogen-bonded Turntrans-66.3-26.7-180-47.60000112.3N190N190-T192 VanDerWaalsContact C-N 3.25Å; N190-T192 PolarHBondContact O-N 3.49Å; N190-T192 VanDerWaalsContact OD1-CB 3.24Å; N190-T192 WeakPolarHBondContact OD1-CB 3.31Å; N190-T192 PolarHBondContact OD1-N 3.48Å; N190-T192 PolarHBondContact OD1-OG1 3.01Å
193Y70.5Confident89.9Confident105 Ų10537.3 Ų37.341%0.41222%0.215SC..SBendtrans-88.4123.4178.3-61.8-76.3000110.2L163 N190 V191L163-Y193 HydrophobicContact CD2-CD1 3.53Å; L163-Y193 HydrophobicContact CD2-CD2 3.52Å; L163-Y193 HydrophobicContact CD2-CE1 3.92Å; L163-Y193 HydrophobicContact CD2-CE2 3.92Å; L163-Y193 HydrophobicContact CD2-CG 3.3Å; N190-Y193 HydrophobicContact CB-CD2 4.13Å; N190-Y193 HydrophobicContact CB-CE2 4.34Å; V191-Y193 PolarHBondContact O-N 3.47Å
194G75.8Confident89.3Confident36 Ų3643.2 Ų43.237%0.37124%0.243SC..SBendtrans-60.4-70.5-17700000113.2T219G194-T219 WeakPolarHBondContact O-CG2 3.44Å
195G90.4Very high88.9Confident6 Ų649.9 Ų49.96%0.06228%0.278CS..  trans-103127-177.800000113.5L215G195-L215 WeakPolarHBondContact CA-O 3.3Å
196K95.3Very high88.5Confident10 Ų1053.6 Ų53.64%0.04330%0.301CS..SBendtrans-93.80.8-179.5-68.1-175.7-179.2171.40114.7S186 D188 V218 T219 D220 V222S186-K196 PolarHBondContact N-O 2.89Å; D188-K196 WeakPolarHBondContact O-CE 3.41Å; D188-K196 PolarHBondContact O-NZ 2.97Å; K196-V218 PolarHBondContact N-O 3.3Å; K196-T219 VanDerWaalsContact CD-O 3.29Å; K196-T219 WeakPolarHBondContact CD-O 3.33Å; K196-T219 WeakPolarHBondContact CE-O 3.42Å; K196-T219 PolarHBondContact NZ-O 3.43Å; K196-D220 WeakPolarHBondContact CD-O 3.34Å; K196-V222 HydrophobicContact CB-CG2 3.9Å
197V97Very high88.3Confident0 Ų062.3 Ų62.30%033%0.333CS..EExtended strand (participates in β ladder)trans-121125.8172.6179.80000109.9V184 L215 V218 V222 I225 L238 I240V184-V197 WeakPolarHBondContact O-CA 3.18Å; V197-L215 HydrophobicContact CB-CB 4.18Å; V197-L215 HydrophobicContact CB-CD1 3.96Å; V197-L215 HydrophobicContact CB-CG 4.18Å; V197-L215 HydrophobicContact CG1-CD1 3.72Å; V197-L215 HydrophobicContact CG1-CG 4.15Å; V197-L215 PolarHBondContact O-N 3.48Å; V197-V218 HydrophobicContact CG2-CB 4.41Å; V197-V218 HydrophobicContact CG2-CG1 4.05Å; V197-V222 HydrophobicContact CG2-CB 4.48Å; V197-V222 HydrophobicContact CG2-CG1 4.19Å; V197-V222 HydrophobicContact CG2-CG2 3.65Å; V197-I225 HydrophobicContact CB-CD1 4.36Å; V197-I225 HydrophobicContact CG1-CD1 3.74Å; V197-I225 HydrophobicContact CG2-CD1 3.74Å; V197-L238 HydrophobicContact CG1-CD2 4.39Å; V197-I240 HydrophobicContact CB-CD1 4.42Å; V197-I240 HydrophobicContact CG1-CD1 4.26Å; V197-I240 HydrophobicContact CG2-CD1 4.04Å; V197-I240 HydrophobicContact CG2-CG2 4.25Å
198Q96.8Very high88.2Confident17 Ų1765.4 Ų65.48%0.07934%0.343CS..EExtended strand (participates in β ladder)trans-119.6138179.5-62.6178.6200109.4C161 A183 V184 Y200 K211 T214C161-Q198 PolarHBondContact O-NE2 2.91Å; C161-Q198 PolarHBondContact O-OE1 3.18Å; A183-Q198 WeakPolarHBondContact CA-O 3.32Å; V184-Q198 PolarHBondContact N-O 2.69Å; V184-Q198 PolarHBondContact O-N 3.3Å; Q198-Y200 HydrophobicContact CB-CD2 4.39Å; Q198-Y200 HydrophobicContact CB-CE2 3.76Å; Q198-Y200 PolarHBondContact OE1-OH 2.65Å; Q198-K211 HydrophobicContact CB-CD 4.41Å; Q198-K211 HydrophobicContact CG-CD 4.33Å; Q198-T214 HydrophobicContact CG-CG2 4.28Å
199I97Very high88.4Confident0 Ų064.4 Ų64.40%034%0.336CS..EExtended strand (participates in β ladder)trans-110.5129.7178-57.6176000108.3A183 A212 E213 L215 L238 L250 I265A183-I199 HydrophobicContact CB-CG1 4.31Å; I199-A212 PolarHBondContact O-N 3.32Å; I199-E213 HydrophobicContact CB-CB 4.31Å; I199-E213 HydrophobicContact CD1-CB 4.44Å; I199-E213 PolarHBondContact N-O 3.24Å; I199-E213 PolarHBondContact O-N 3.01Å; I199-L215 HydrophobicContact CD1-CD2 4.24Å; I199-L238 HydrophobicContact CD1-CD2 4.45Å; I199-L250 HydrophobicContact CD1-CD1 3.7Å; I199-L250 HydrophobicContact CD1-CD2 3.89Å; I199-L250 HydrophobicContact CD1-CG 4.45Å; I199-I265 HydrophobicContact CG2-CD1 4.19Å
200Y96.4Very high88.9Confident11 Ų1161.2 Ų61.24%0.04331%0.314CS..EExtended strand (participates in β ladder)trans-115.3139.4179.3-73-95.6000110.2I159 S160 C161 M181 F182 V184 Q198 S210 K211I159-Y200 HydrophobicContact CG2-CD1 3.73Å; I159-Y200 HydrophobicContact CG2-CE1 3.32Å; I159-Y200 HydrophobicContact CG2-CG 4.46Å; S160-Y200 PolarHBondContact O-OH 3.39Å; C161-Y200 WeakPolarHBondContact CA-OH 3.44Å; M181-Y200 CarbonylContact C-O 3.58Å; M181-Y200 WeakPolarHBondContact CA-O 3.22Å; M181-Y200 WeakPolarHBondContact CB-O 3.31Å; F182-Y200 AromaticContact CE2-CD2 3.82Å; F182-Y200 HydrophobicContact CE2-CD2 3.82Å; F182-Y200 AromaticContact CE2-CG 3.99Å; F182-Y200 HydrophobicContact CE2-CG 3.99Å; F182-Y200 HydrophobicContact CZ-CD2 4.15Å; F182-Y200 AromaticContact CZ-CG 3.85Å; F182-Y200 HydrophobicContact CZ-CG 3.85Å; F182-Y200 PolarHBondContact N-O 3.22Å; F182-Y200 PolarHBondContact O-N 3.23Å; V184-Y200 HydrophobicContact CG2-CD2 4.35Å; V184-Y200 HydrophobicContact CG2-CE2 4.49Å; Q198-Y200 HydrophobicContact CB-CD2 4.39Å; Q198-Y200 HydrophobicContact CB-CE2 3.76Å; Q198-Y200 PolarHBondContact OE1-OH 2.65Å; Y200-S210 WeakPolarHBondContact CA-O 3.4Å; Y200-K211 HydrophobicContact CD1-CB 4.17Å; Y200-K211 HydrophobicContact CE1-CB 3.84Å; Y200-K211 HydrophobicContact CE1-CG 4.43Å
201E94.5Very high89.5Confident3 Ų363.3 Ų63.31%0.01432%0.32CS..EExtended strand (participates in β ladder)trans-123.7135.8-179.4-177.1-172.5144.700109.4P179 Y209 S210 A212 K255 T263P179-E201 HydrophobicContact CB-CG 3.86Å; P179-E201 VanDerWaalsContact CG-CD 3.43Å; P179-E201 HydrophobicContact CG-CG 3.51Å; P179-E201 WeakPolarHBondContact CG-OE1 3.45Å; E201-Y209 WeakPolarHBondContact O-CA 3.37Å; E201-S210 PolarHBondContact N-O 2.89Å; E201-S210 PolarHBondContact O-N 2.86Å; E201-A212 HydrophobicContact CB-CB 3.96Å; E201-K255 IonicContact OE1-NZ 2.96Å; E201-K255 PolarHBondContact OE1-NZ 3.24Å; E201-T263 VanDerWaalsContact CD-OG1 3.27Å; E201-T263 PolarHBondContact OE1-N 3.42Å; E201-T263 PolarHBondContact OE1-OG1 3.04Å; E201-T263 WeakPolarHBondContact OE2-CA 3.38Å; E201-T263 WeakPolarHBondContact OE2-CB 3.23Å; E201-T263 PolarHBondContact OE2-N 3.1Å; E201-T263 PolarHBondContact OE2-OG1 3.35Å
202Y93.5Very high90.5Very high39 Ų3957.9 Ų57.915%0.15329%0.289CS..EExtended strand (participates in β ladder)trans-74.9127.7173.4-171.9-110.3000110.6H157 P179 P180 E204 R207 Y209H157-Y202 AromaticContact NE2-CE2 3.71Å; P179-Y202 WeakPolarHBondContact CB-O 3.44Å; P180-Y202 HydrophobicContact CG-CD1 4.48Å; P180-Y202 WeakPolarHBondContact O-CB 3.47Å; P180-Y202 PolarHBondContact O-N 2.91Å; Y202-E204 HydrophobicContact CD1-CG 4.37Å; Y202-E204 HydrophobicContact CE1-CG 4.31Å; Y202-E204 WeakPolarHBondContact CE1-OE1 3.41Å; Y202-R207 WeakPolarHBondContact OH-CA 3.43Å; Y202-Y209 HydrophobicContact CD2-CD1 4.44Å; Y202-Y209 AromaticContact CD2-CD2 3.74Å; Y202-Y209 HydrophobicContact CD2-CD2 3.74Å; Y202-Y209 HydrophobicContact CD2-CE1 4.25Å; Y202-Y209 AromaticContact CD2-CE2 3.48Å; Y202-Y209 HydrophobicContact CD2-CE2 3.48Å; Y202-Y209 VanDerWaalsContact CD2-CE2 3.48Å; Y202-Y209 HydrophobicContact CD2-CG 4.22Å; Y202-Y209 AromaticContact CD2-CZ 3.77Å; Y202-Y209 HydrophobicContact CE2-CD2 4.44Å; Y202-Y209 HydrophobicContact CE2-CE2 4.17Å; Y202-Y209 HydrophobicContact CG-CE1 4.4Å; Y202-Y209 HydrophobicContact CG-CE2 4.31Å
203N90.3Very high91.4Very high15 Ų1554.9 Ų54.98%0.0827%0.266CS..EExtended strand (participates in β ladder)trans-105.8111.2174.5-174.7-28.7000109.5N205 T206 R207 K208 T260N203-N205 VanDerWaalsContact C-N 3.27Å; N203-N205 PolarHBondContact O-N 3.47Å; N203-N205 WeakPolarHBondContact OD1-CB 3.31Å; N203-N205 PolarHBondContact OD1-N 3.48Å; N203-T206 WeakPolarHBondContact CB-OG1 3.06Å; N203-T206 PolarHBondContact O-N 3.12Å; N203-T206 PolarHBondContact O-OG1 2.87Å; N203-T206 PolarHBondContact OD1-N 3.41Å; N203-R207 VanDerWaalsContact O-CA 3.32Å; N203-R207 WeakPolarHBondContact O-CA 3.32Å; N203-R207 PolarHBondContact O-N 3.18Å; N203-K208 PolarHBondContact N-O 2.65Å; N203-K208 PolarHBondContact O-N 2.97Å; N203-T260 PolarHBondContact ND2-O 3.06Å; N203-T260 VanDerWaalsContact ND2-O 3.15Å
204E87.2Confident92.6Very high124 Ų12450.9 Ų50.958%0.57925%0.253SS*.THydrogen-bonded Turntrans-57.5-37.2179.3-71.4-66.3162.400113Y202 T206Y202-E204 HydrophobicContact CD1-CG 4.37Å; Y202-E204 HydrophobicContact CE1-CG 4.31Å; Y202-E204 WeakPolarHBondContact CE1-OE1 3.41Å; E204-T206 PolarHBondContact O-N 3.15Å
205N87.9Confident93.5Very high144 Ų14449.4 Ų49.477%0.7724%0.236SC*.THydrogen-bonded Turntrans-68.9-37.8-176.7-63.4-37.7000111.8N203N203-N205 VanDerWaalsContact C-N 3.27Å; N203-N205 PolarHBondContact O-N 3.47Å; N203-N205 WeakPolarHBondContact OD1-CB 3.31Å; N203-N205 PolarHBondContact OD1-N 3.48Å
206T90.1Very high93.6Very high79 Ų7954.9 Ų54.949%0.48526%0.262SS..THydrogen-bonded Turntrans-97.7-9.1-178.862.30000112.7N203 E204 K208N203-T206 WeakPolarHBondContact CB-OG1 3.06Å; N203-T206 PolarHBondContact O-N 3.12Å; N203-T206 PolarHBondContact O-OG1 2.87Å; N203-T206 PolarHBondContact OD1-N 3.41Å; E204-T206 PolarHBondContact O-N 3.15Å; T206-K208 WeakPolarHBondContact O-CG 2.89Å; T206-K208 PolarHBondContact O-N 3.19Å
207R92Very high93.4Very high186 Ų18657.9 Ų57.970%0.70228%0.281SS*.THydrogen-bonded Turntrans50.438.7-172.2-59.8-177179.1-175.4-1.7112.7H157 Y202 N203H157-R207 PolarHBondContact CE1-O 2.91Å; Y202-R207 WeakPolarHBondContact OH-CA 3.43Å; N203-R207 VanDerWaalsContact O-CA 3.32Å; N203-R207 WeakPolarHBondContact O-CA 3.32Å; N203-R207 PolarHBondContact O-N 3.18Å
208K93.1Very high93.3Very high141 Ų14157.9 Ų57.961%0.61328%0.281SS*.EExtended strand (participates in β ladder)trans-138.5147.9-177.1-72.7-179.6-177-176.50110.7N203 T206N203-K208 PolarHBondContact N-O 2.65Å; N203-K208 PolarHBondContact O-N 2.97Å; T206-K208 WeakPolarHBondContact O-CG 2.89Å; T206-K208 PolarHBondContact O-N 3.19Å
209Y95.4Very high93.1Very high23 Ų2360.2 Ų60.29%0.0930%0.297CS..EExtended strand (participates in β ladder)trans-75.5133.9166-75-88.7000110.2I141 H157 I159 W170 F182 E201 Y202I141-Y209 HydrophobicContact CD1-CD2 3.68Å; I141-Y209 HydrophobicContact CD1-CE2 3.41Å; I141-Y209 VanDerWaalsContact CD1-CE2 3.41Å; I141-Y209 HydrophobicContact CD1-CG 4.39Å; H157-Y209 HydrophobicContact CB-CD2 4.46Å; H157-Y209 AromaticContact CD2-CD2 3.53Å; H157-Y209 AromaticContact CD2-CE2 3.45Å; H157-Y209 VanDerWaalsContact CD2-CE2 3.45Å; H157-Y209 WeakPolarHBondContact CD2-CE2 3.33Å; H157-Y209 AromaticContact CG-CD2 3.94Å; H157-Y209 AromaticContact NE2-CD2 3.94Å; H157-Y209 AromaticContact NE2-CE2 3.8Å; I159-Y209 VanDerWaalsContact CD1-CB 3.44Å; I159-Y209 HydrophobicContact CD1-CD2 3.89Å; I159-Y209 HydrophobicContact CD1-CG 3.77Å; W170-Y209 HydrophobicContact CZ3-CE1 4.31Å; W170-Y209 WeakPolarHBondContact CZ3-OH 3.44Å; F182-Y209 AromaticContact CD1-CD1 3.88Å; F182-Y209 HydrophobicContact CD1-CD1 3.88Å; F182-Y209 AromaticContact CD1-CE1 3.66Å; F182-Y209 HydrophobicContact CD1-CE1 3.66Å; F182-Y209 AromaticContact CE1-CD1 3.34Å; F182-Y209 HydrophobicContact CE1-CD1 3.34Å; F182-Y209 HydrophobicContact CE1-CD2 4.43Å; F182-Y209 AromaticContact CE1-CE1 3.54Å; F182-Y209 HydrophobicContact CE1-CE1 3.54Å; F182-Y209 AromaticContact CE1-CG 3.81Å; F182-Y209 HydrophobicContact CE1-CG 3.81Å; F182-Y209 HydrophobicContact CZ-CD1 4.36Å; E201-Y209 WeakPolarHBondContact O-CA 3.37Å; Y202-Y209 HydrophobicContact CD2-CD1 4.44Å; Y202-Y209 AromaticContact CD2-CD2 3.74Å; Y202-Y209 HydrophobicContact CD2-CD2 3.74Å; Y202-Y209 HydrophobicContact CD2-CE1 4.25Å; Y202-Y209 AromaticContact CD2-CE2 3.48Å; Y202-Y209 HydrophobicContact CD2-CE2 3.48Å; Y202-Y209 VanDerWaalsContact CD2-CE2 3.48Å; Y202-Y209 HydrophobicContact CD2-CG 4.22Å; Y202-Y209 AromaticContact CD2-CZ 3.77Å; Y202-Y209 HydrophobicContact CE2-CD2 4.44Å; Y202-Y209 HydrophobicContact CE2-CE2 4.17Å; Y202-Y209 HydrophobicContact CG-CE1 4.4Å; Y202-Y209 HydrophobicContact CG-CE2 4.31Å
210S94.1Very high93Very high35 Ų3561.9 Ų61.925%0.24531%0.306CS..EExtended strand (participates in β ladder)trans-126.2147.917661.40000109.7Y200 E201 A212Y200-S210 WeakPolarHBondContact CA-O 3.4Å; E201-S210 PolarHBondContact N-O 2.89Å; E201-S210 PolarHBondContact O-N 2.86Å; S210-A212 PolarHBondContact O-N 3.41Å
211K94.3Very high92.9Very high107 Ų10762.7 Ų62.747%0.46532%0.315SS..EExtended strand (participates in β ladder)trans-71.1115179.3-171.9174.667.11600109.1Q198 Y200 T214Q198-K211 HydrophobicContact CB-CD 4.41Å; Q198-K211 HydrophobicContact CG-CD 4.33Å; Y200-K211 HydrophobicContact CD1-CB 4.17Å; Y200-K211 HydrophobicContact CE1-CB 3.84Å; Y200-K211 HydrophobicContact CE1-CG 4.43Å; K211-T214 PolarHBondContact NZ-OG1 3.28Å
212A93.1Very high93Very high15 Ų1562.6 Ų62.612%0.12431%0.314CS..EExtended strand (participates in β ladder)trans-85.7-42.8179.800000111.8I199 E201 S210 P262 I265I199-A212 PolarHBondContact O-N 3.32Å; E201-A212 HydrophobicContact CB-CB 3.96Å; S210-A212 PolarHBondContact O-N 3.41Å; A212-P262 HydrophobicContact CB-CB 4Å; A212-I265 HydrophobicContact CB-CD1 4.05Å
213E94.6Very high93.1Very high56 Ų5662.1 Ų62.126%0.26231%0.313SS..EExtended strand (participates in β ladder)trans-151.4157.3-173.3-164.249.5-111.700112I199 V267I199-E213 HydrophobicContact CB-CB 4.31Å; I199-E213 HydrophobicContact CD1-CB 4.44Å; I199-E213 PolarHBondContact N-O 3.24Å; I199-E213 PolarHBondContact O-N 3.01Å; E213-V267 HydrophobicContact CG-CG2 3.64Å
214T95Very high93.5Very high22 Ų2262 Ų6214%0.13531%0.313CS..EExtended strand (participates in β ladder)trans-131.7122.7171.1-59.30000108.8Q198 K211 M216Q198-T214 HydrophobicContact CG-CG2 4.28Å; K211-T214 PolarHBondContact NZ-OG1 3.28Å; T214-M216 VanDerWaalsContact C-N 3.33Å; T214-M216 HydrophobicContact CG2-SD 3.71Å; T214-M216 PolarHBondContact O-N 3.28Å
215L95.1Very high94Very high4 Ų456.3 Ų56.32%0.02129%0.286CS..  trans-78.684.3-177.4-52.9-175.1000110.1G195 V197 I199 T217 V218 L238 I240 F248 L250 V267G195-L215 WeakPolarHBondContact CA-O 3.3Å; V197-L215 HydrophobicContact CB-CB 4.18Å; V197-L215 HydrophobicContact CB-CD1 3.96Å; V197-L215 HydrophobicContact CB-CG 4.18Å; V197-L215 HydrophobicContact CG1-CD1 3.72Å; V197-L215 HydrophobicContact CG1-CG 4.15Å; V197-L215 PolarHBondContact O-N 3.48Å; I199-L215 HydrophobicContact CD1-CD2 4.24Å; L215-T217 PolarHBondContact O-N 3.48Å; L215-T217 VanDerWaalsContact O-N 3.12Å; L215-V218 HydrophobicContact CB-CG2 4.07Å; L215-V218 PolarHBondContact O-N 3.09Å; L215-L238 HydrophobicContact CD1-CD2 4.1Å; L215-I240 HydrophobicContact CD1-CD1 3.49Å; L215-I240 VanDerWaalsContact CD1-CD1 3.49Å; L215-F248 HydrophobicContact CD1-CD1 4.45Å; L215-F248 HydrophobicContact CD1-CD2 4.29Å; L215-F248 HydrophobicContact CD1-CE1 4.48Å; L215-F248 HydrophobicContact CD1-CE2 4.37Å; L215-F248 HydrophobicContact CD1-CG 4.33Å; L215-F248 HydrophobicContact CD1-CZ 4.46Å; L215-L250 HydrophobicContact CD2-CD2 4.47Å; L215-V267 HydrophobicContact CD2-CB 4.42Å; L215-V267 HydrophobicContact CD2-CG1 3.64Å; L215-V267 HydrophobicContact CD2-CG2 3.89Å
216M92.6Very high94.5Very high122 Ų12250 Ų5060%0.60125%0.254SS*.THydrogen-bonded Turntrans-63-19-174.3-59.5-59.6-80.500114T214 V218T214-M216 VanDerWaalsContact C-N 3.33Å; T214-M216 HydrophobicContact CG2-SD 3.71Å; T214-M216 PolarHBondContact O-N 3.28Å; M216-V218 VanDerWaalsContact C-N 3.31Å
217T92.3Very high94.9Very high72 Ų7246.8 Ų46.844%0.44223%0.233SC..THydrogen-bonded Turntrans-77.7-17.3177.158.90000112.8L215 T219 R246 I269L215-T217 PolarHBondContact O-N 3.48Å; L215-T217 VanDerWaalsContact O-N 3.12Å; T217-T219 PolarHBondContact O-N 2.91Å; T217-R246 PolarHBondContact O-NH1 3.29Å; T217-I269 HydrophobicContact CG2-CD1 4.38Å
218V93.8Very high95.1Very high0 Ų038 Ų380%020%0.2CC..  trans-94.793.9179.8-173.10000109.3K196 V197 L215 M216 V222 I240 T242 F248K196-V218 PolarHBondContact N-O 3.3Å; V197-V218 HydrophobicContact CG2-CB 4.41Å; V197-V218 HydrophobicContact CG2-CG1 4.05Å; L215-V218 HydrophobicContact CB-CG2 4.07Å; L215-V218 PolarHBondContact O-N 3.09Å; M216-V218 VanDerWaalsContact C-N 3.31Å; V218-V222 HydrophobicContact CG1-CG2 3.89Å; V218-I240 HydrophobicContact CG1-CG2 4.37Å; V218-I240 HydrophobicContact CG2-CD1 4.11Å; V218-T242 HydrophobicContact CG1-CG2 3.8Å; V218-F248 HydrophobicContact CG2-CE2 3.8Å; V218-F248 HydrophobicContact CG2-CZ 3.64Å
219T93.4Very high95.1Very high66 Ų6632.7 Ų32.741%0.40518%0.181SC..  trans-105.9-18.5-176.760.20000112.9G194 K196 T217G194-T219 WeakPolarHBondContact O-CG2 3.44Å; K196-T219 VanDerWaalsContact CD-O 3.29Å; K196-T219 WeakPolarHBondContact CD-O 3.33Å; K196-T219 WeakPolarHBondContact CE-O 3.42Å; K196-T219 PolarHBondContact NZ-O 3.43Å; T217-T219 PolarHBondContact O-N 2.91Å
220D93.5Very high94.7Very high36 Ų3633 Ų3319%0.19318%0.183CC..SBendtrans-79.3155.7177.6-57.2-74.4000110.9K196 V222 K243 R246K196-D220 WeakPolarHBondContact CD-O 3.34Å; D220-V222 PolarHBondContact O-N 2.86Å; D220-K243 HydrophobicContact CB-CD 4.43Å; D220-K243 HydrophobicContact CB-CG 4.23Å; D220-K243 WeakPolarHBondContact OD1-CD 3.28Å; D220-K243 IonicContact OD1-NZ 3.94Å; D220-K243 PolarHBondContact OD1-NZ 3.21Å; D220-K243 WeakPolarHBondContact OD2-CD 3.28Å; D220-K243 WeakPolarHBondContact OD2-CE 3.32Å; D220-K243 IonicContact OD2-NZ 3.03Å; D220-K243 PolarHBondContact OD2-NZ 3.28Å; D220-R246 IonicContact OD2-NH2 2.78Å
221A94.7Very high94.1Very high28 Ų2837 Ų3723%0.23120%0.202CC..PPolyproline II helixtrans-56.2134.8178.500000111.1D187 T242D187-A221 HydrophobicContact CB-CB 4.49Å; A221-T242 WeakPolarHBondContact O-CA 3.18Å; A221-T242 WeakPolarHBondContact O-CB 3.45Å
222V96.8Very high93.4Very high0 Ų035.8 Ų35.80%022%0.22CC..PPolyproline II helixtrans-101.7119.6-176-172.30000109.5S166 S186 K196 V197 V218 D220 I225 I240 T242S166-V222 WeakPolarHBondContact CB-O 3.32Å; S166-V222 PolarHBondContact OG-O 2.89Å; S186-V222 WeakPolarHBondContact O-CB 3.31Å; S186-V222 WeakPolarHBondContact O-CG2 3.38Å; S186-V222 PolarHBondContact O-N 3.24Å; K196-V222 HydrophobicContact CB-CG2 3.9Å; V197-V222 HydrophobicContact CG2-CB 4.48Å; V197-V222 HydrophobicContact CG2-CG1 4.19Å; V197-V222 HydrophobicContact CG2-CG2 3.65Å; V218-V222 HydrophobicContact CG1-CG2 3.89Å; D220-V222 PolarHBondContact O-N 2.86Å; V222-I225 HydrophobicContact CG1-CD1 3.85Å; V222-I225 HydrophobicContact CG1-CG1 3.6Å; V222-I240 HydrophobicContact CG1-CG2 3.7Å; V222-I240 HydrophobicContact CG2-CG2 4.47Å; V222-T242 HydrophobicContact CB-CG2 4.48Å; V222-T242 HydrophobicContact CG2-CG2 4.02Å
223H96.8Very high93.2Very high30 Ų3037.9 Ų37.914%0.13923%0.225CC..  trans-96.8-32.9-175.3-59-60000112.7A241 V280 W281H223-A241 PolarHBondContact N-O 2.88Å; H223-V280 WeakPolarHBondContact CB-O 3.46Å; H223-V280 PolarHBondContact CD2-O 3.08Å; H223-W281 HydrophobicContact CB-CE3 4.19Å; H223-W281 AromaticContact ND1-CE3 3.98Å; H223-W281 AromaticContact ND1-CZ3 3.65Å
224D98Very high92.8Very high12 Ų1239.6 Ų39.66%0.06424%0.243CC..EExtended strand (participates in β ladder)trans-157151.5179.2-163.317000111.3A241 W281 R282 V283D224-A241 HydrophobicContact CB-CB 3.95Å; D224-A241 WeakPolarHBondContact O-CB 3.48Å; D224-A241 PolarHBondContact O-N 3.24Å; D224-W281 WeakPolarHBondContact CB-O 3.19Å; D224-R282 WeakPolarHBondContact OD2-CA 3.4Å; D224-R282 WeakPolarHBondContact OD2-CD 3.4Å; D224-V283 HydrophobicContact CB-CG2 4.14Å; D224-V283 PolarHBondContact OD2-N 3.16Å
225I98.3Very high92.7Very high4 Ų439.9 Ų39.92%0.02124%0.242CC..EExtended strand (participates in β ladder)trans-139.5137.8178.4-63.5180000108.4S169 A183 G185 V197 V222 L238 A239 I240S169-I225 WeakPolarHBondContact CB-O 3.3Å; S169-I225 PolarHBondContact OG-O 2.79Å; A183-I225 HydrophobicContact CB-CG2 4.16Å; G185-I225 VanDerWaalsContact CA-CD1 3.42Å; V197-I225 HydrophobicContact CB-CD1 4.36Å; V197-I225 HydrophobicContact CG1-CD1 3.74Å; V197-I225 HydrophobicContact CG2-CD1 3.74Å; V222-I225 HydrophobicContact CG1-CD1 3.85Å; V222-I225 HydrophobicContact CG1-CG1 3.6Å; I225-L238 HydrophobicContact CG2-CD1 3.32Å; I225-L238 HydrophobicContact CG2-CD2 4.27Å; I225-L238 HydrophobicContact CG2-CG 3.93Å; I225-A239 WeakPolarHBondContact CA-O 3.27Å; I225-I240 HydrophobicContact CG1-CG1 4.37Å; I225-I240 HydrophobicContact CG1-CG2 4.23Å
226A98.3Very high92.6Very high12 Ų1239.7 Ų39.710%0.09924%0.241CC..EExtended strand (participates in β ladder)trans-137.8118.5175.600000111.7S169 A239 V283 W285S169-A226 WeakPolarHBondContact OG-CA 3.49Å; A226-A239 PolarHBondContact N-O 3Å; A226-A239 PolarHBondContact O-N 3.26Å; A226-V283 HydrophobicContact CB-CG2 4.23Å; A226-W285 PolarHBondContact O-NE1 3.16Å
227F97.7Very high92.8Very high11 Ų1134 Ų345%0.04821%0.213CC..EExtended strand (participates in β ladder)trans-68.7138.2162.6-88.1-77.7000110.4S169 W170 N171 M181 A183 H236 L238 L250S169-F227 VanDerWaalsContact O-CD2 3.3Å; S169-F227 WeakPolarHBondContact O-CD2 3.33Å; S169-F227 WeakPolarHBondContact O-CE2 3.49Å; S169-F227 PolarHBondContact OG-N 2.88Å; W170-F227 WeakPolarHBondContact O-CB 3.45Å; N171-F227 HydrophobicContact CB-CD1 4.07Å; N171-F227 HydrophobicContact CB-CD2 4.16Å; N171-F227 HydrophobicContact CB-CE1 4.19Å; N171-F227 HydrophobicContact CB-CE2 4.26Å; N171-F227 HydrophobicContact CB-CG 4.05Å; N171-F227 HydrophobicContact CB-CZ 4.29Å; M181-F227 HydrophobicContact CG-CZ 4.44Å; M181-F227 HydrophobicContact SD-CE1 4.35Å; M181-F227 HydrophobicContact SD-CZ 4.3Å; A183-F227 HydrophobicContact CB-CD2 4.29Å; A183-F227 HydrophobicContact CB-CE2 3.45Å; A183-F227 VanDerWaalsContact CB-CE2 3.45Å; A183-F227 HydrophobicContact CB-CZ 4Å; F227-H236 HydrophobicContact CD1-CB 4.5Å; F227-H236 HydrophobicContact CE1-CB 4.31Å; F227-L238 HydrophobicContact CB-CD1 4.42Å; F227-L238 HydrophobicContact CD1-CD1 3.89Å; F227-L238 HydrophobicContact CD2-CD1 3.73Å; F227-L238 HydrophobicContact CE1-CB 4.47Å; F227-L238 HydrophobicContact CE1-CD1 4.04Å; F227-L238 HydrophobicContact CE2-CD1 3.89Å; F227-L238 HydrophobicContact CG-CD1 3.73Å; F227-L238 HydrophobicContact CZ-CD1 4.03Å; F227-L250 HydrophobicContact CE1-CD1 3.78Å; F227-L250 HydrophobicContact CZ-CD1 4.28Å
228A95.9Very high93.1Very high1 Ų130.5 Ų30.51%0.00819%0.192CC..PPolyproline II helixtrans-84.2137.1177.100000110.5N230 V237 W285 S289A228-N230 PolarHBondContact O-N 2.84Å; A228-V237 HydrophobicContact CB-CB 3.9Å; A228-V237 HydrophobicContact CB-CG1 4.22Å; A228-V237 WeakPolarHBondContact CB-O 3.39Å; A228-V237 PolarHBondContact N-O 2.83Å; A228-W285 VanDerWaalsContact CA-CD1 3.5Å; A228-W285 HydrophobicContact CB-CD2 3.56Å; A228-W285 VanDerWaalsContact CB-CE2 3.43Å; A228-W285 HydrophobicContact CB-CE3 4.13Å; A228-W285 HydrophobicContact CB-CG 3.81Å; A228-W285 HydrophobicContact CB-CH2 4.45Å; A228-W285 HydrophobicContact CB-CZ2 3.91Å; A228-S289 WeakPolarHBondContact CB-OG 3.41Å
229P93.1Very high93.3Very high31 Ų3130.5 Ų30.520%0.20119%0.192CC..PPolyproline II helixtrans-48.9125.1171.7-30.236.4000113P172 L231 R233 S289P172-P229 HydrophobicContact CG-CB 4.47Å; P172-P229 HydrophobicContact CG-CG 4.47Å; P229-L231 PolarHBondContact O-N 2.92Å; P229-R233 PolarHBondContact O-NH2 2.94Å; P229-S289 WeakPolarHBondContact O-CB 3.37Å; P229-S289 PolarHBondContact O-OG 2.85Å
230N87.3Confident93.5Very high28 Ų2827.4 Ų27.415%0.1517%0.173CC..  trans-90.689-179-165.57.2000112.2A228 G232 R233A228-N230 PolarHBondContact O-N 2.84Å; N230-G232 PolarHBondContact O-N 3.19Å; N230-R233 PolarHBondContact ND2-O 2.97Å; N230-R233 WeakPolarHBondContact OD1-CA 3.18Å; N230-R233 WeakPolarHBondContact OD1-CB 3.5Å; N230-R233 PolarHBondContact OD1-N 2.97Å; N230-R233 PolarHBondContact OD1-O 3.2Å; N230-R233 VanDerWaalsContact OD1-O 3.13Å
231L81.2Confident93.7Very high120 Ų12025.7 Ų25.763%0.62816%0.163SC*.SBendtrans-96.170.8178.9-67.2164000111.1P229 T288P229-L231 PolarHBondContact O-N 2.92Å; L231-T288 VanDerWaalsContact CD1-CA 3.46Å
232G80.3Confident93.7Very high82 Ų8224.3 Ų24.385%0.84515%0.152SC*.SBendtrans89.512.4172.500000116.1N230N230-G232 PolarHBondContact O-N 3.19Å
233R88.1Confident93.5Very high59 Ų5929.5 Ų29.522%0.22318%0.175CC..  trans-86.8147.8170.8-55.2170.7-71.7-169.9-6.4110.3P229 N230 F235 S289P229-R233 PolarHBondContact O-NH2 2.94Å; N230-R233 PolarHBondContact ND2-O 2.97Å; N230-R233 WeakPolarHBondContact OD1-CA 3.18Å; N230-R233 WeakPolarHBondContact OD1-CB 3.5Å; N230-R233 PolarHBondContact OD1-N 2.97Å; N230-R233 PolarHBondContact OD1-O 3.2Å; N230-R233 VanDerWaalsContact OD1-O 3.13Å; R233-F235 HydrophobicContact CB-CD1 4.17Å; R233-F235 HydrophobicContact CB-CE1 4.14Å; R233-F235 HydrophobicContact CB-CG 4.38Å; R233-F235 HydrophobicContact CB-CZ 4.34Å; R233-F235 HydrophobicContact CG-CE1 4.43Å; R233-F235 HydrophobicContact CG-CZ 4.28Å; R233-F235 PolarHBondContact O-N 2.99Å; R233-S289 VanDerWaalsContact CZ-OG 3.29Å; R233-S289 PolarHBondContact NH1-OG 3.26Å; R233-S289 PolarHBondContact NH2-OG 2.89Å
234S87.9Confident93.4Very high92 Ų9228.3 Ų28.364%0.64317%0.169SC*.SBendtrans-78.8-2.1171.6550000113.8
235F91.4Very high93.4Very high27 Ų2727.7 Ų27.712%0.11817%0.166CC..SBendtrans-132.1159.6-177.359.9-93.9000110.3R233 V237 K249 L250 V251R233-F235 HydrophobicContact CB-CD1 4.17Å; R233-F235 HydrophobicContact CB-CE1 4.14Å; R233-F235 HydrophobicContact CB-CG 4.38Å; R233-F235 HydrophobicContact CB-CZ 4.34Å; R233-F235 HydrophobicContact CG-CE1 4.43Å; R233-F235 HydrophobicContact CG-CZ 4.28Å; R233-F235 PolarHBondContact O-N 2.99Å; F235-V237 HydrophobicContact CD2-CG2 3.81Å; F235-V237 HydrophobicContact CE2-CG2 3.59Å; F235-K249 HydrophobicContact CB-CG 4.32Å; F235-K249 HydrophobicContact CD2-CD 4.16Å; F235-K249 HydrophobicContact CD2-CG 3.62Å; F235-K249 HydrophobicContact CE2-CD 4.16Å; F235-K249 HydrophobicContact CE2-CG 4.03Å; F235-K249 HydrophobicContact CG-CD 4.43Å; F235-K249 HydrophobicContact CG-CG 4.02Å; F235-K249 HydrophobicContact CZ-CD 4.48Å; F235-L250 WeakPolarHBondContact CA-O 3.36Å; F235-L250 WeakPolarHBondContact CB-O 3.23Å; F235-V251 HydrophobicContact CB-CG2 3.99Å
236H94.5Very high93.3Very high1 Ų128.3 Ų28.31%0.00517%0.168CC..EExtended strand (participates in β ladder)trans-98.9154174.4-50-57.1000110.3N171 H178 F227 L250N171-H236 PolarHBondContact ND2-CE1 2.82Å; N171-H236 VanDerWaalsContact ND2-CE1 3.33Å; N171-H236 VanDerWaalsContact ND2-CG 3.35Å; N171-H236 PolarHBondContact ND2-ND1 2.92Å; N171-H236 PolarHBondContact ND2-NE2 2.73Å; H178-H236 AromaticContact CD2-CE1 3.67Å; H178-H236 AromaticContact CD2-NE2 3.97Å; H178-H236 AromaticContact CG-CE1 3.79Å; H178-H236 AromaticContact CG-NE2 3.66Å; H178-H236 AromaticContact ND1-NE2 3.91Å; F227-H236 HydrophobicContact CD1-CB 4.5Å; F227-H236 HydrophobicContact CE1-CB 4.31Å; H236-L250 HydrophobicContact CB-CB 4.17Å; H236-L250 PolarHBondContact N-O 2.56Å; H236-L250 PolarHBondContact O-N 2.94Å
237V95.6Very high93.2Very high1 Ų127.7 Ų27.71%0.00616%0.163CC..EExtended strand (participates in β ladder)trans-123.9134.4175.3175.70000109A228 F235 I247 F248 M270 W285A228-V237 HydrophobicContact CB-CB 3.9Å; A228-V237 HydrophobicContact CB-CG1 4.22Å; A228-V237 WeakPolarHBondContact CB-O 3.39Å; A228-V237 PolarHBondContact N-O 2.83Å; F235-V237 HydrophobicContact CD2-CG2 3.81Å; F235-V237 HydrophobicContact CE2-CG2 3.59Å; V237-I247 HydrophobicContact CG1-CG2 3.57Å; V237-F248 CarbonylContact C-O 3.55Å; V237-F248 VanDerWaalsContact CA-O 3.27Å; V237-F248 WeakPolarHBondContact CA-O 3.22Å; V237-M270 HydrophobicContact CG2-SD 4.23Å; V237-W285 HydrophobicContact CG1-CH2 3.93Å; V237-W285 HydrophobicContact CG1-CZ2 3.66Å
238L97.8Very high93.2Very high0 Ų027.2 Ų27.20%016%0.161CC..EExtended strand (participates in β ladder)trans-125.5122.7-178.4-173.166.9000109A183 V197 I199 L215 I225 F227 I240 F248 L250A183-L238 HydrophobicContact CB-CD1 4.12Å; A183-L238 HydrophobicContact CB-CD2 4.05Å; V197-L238 HydrophobicContact CG1-CD2 4.39Å; I199-L238 HydrophobicContact CD1-CD2 4.45Å; L215-L238 HydrophobicContact CD1-CD2 4.1Å; I225-L238 HydrophobicContact CG2-CD1 3.32Å; I225-L238 HydrophobicContact CG2-CD2 4.27Å; I225-L238 HydrophobicContact CG2-CG 3.93Å; F227-L238 HydrophobicContact CB-CD1 4.42Å; F227-L238 HydrophobicContact CD1-CD1 3.89Å; F227-L238 HydrophobicContact CD2-CD1 3.73Å; F227-L238 HydrophobicContact CE1-CB 4.47Å; F227-L238 HydrophobicContact CE1-CD1 4.04Å; F227-L238 HydrophobicContact CE2-CD1 3.89Å; F227-L238 HydrophobicContact CG-CD1 3.73Å; F227-L238 HydrophobicContact CZ-CD1 4.03Å; L238-I240 HydrophobicContact CD2-CD1 4.13Å; L238-I240 HydrophobicContact CD2-CG1 4.28Å; L238-I240 HydrophobicContact CG-CD1 4.49Å; L238-I240 HydrophobicContact CG-CG1 4.16Å; L238-F248 HydrophobicContact CB-CB 4.4Å; L238-F248 PolarHBondContact N-O 3.37Å; L238-F248 PolarHBondContact O-N 3.26Å; L238-L250 HydrophobicContact CB-CD1 3.97Å; L238-L250 HydrophobicContact CD2-CD1 4.37Å
239A98.1Very high93.2Very high0 Ų028.7 Ų28.70%017%0.167CC..EExtended strand (participates in β ladder)trans-96.8141169.500000109.8I225 A226 R246 V283 W285 L292I225-A239 WeakPolarHBondContact CA-O 3.27Å; A226-A239 PolarHBondContact N-O 3Å; A226-A239 PolarHBondContact O-N 3.26Å; A239-R246 CarbonylContact C-O 3.57Å; A239-R246 WeakPolarHBondContact CA-O 3.34Å; A239-V283 HydrophobicContact CB-CB 4.26Å; A239-V283 HydrophobicContact CB-CG2 4.32Å; A239-W285 HydrophobicContact CB-CZ2 3.69Å; A239-L292 HydrophobicContact CB-CD1 3.59Å; A239-L292 HydrophobicContact CB-CD2 3.9Å; A239-L292 HydrophobicContact CB-CG 4.42Å
240I98.2Very high93.3Very high0 Ų027.2 Ų27.20%016%0.158CC..EExtended strand (participates in β ladder)trans-132.4129.5-177.9-55.1173.9000108.3V197 L215 V218 V222 I225 L238 T242 R246 F248V197-I240 HydrophobicContact CB-CD1 4.42Å; V197-I240 HydrophobicContact CG1-CD1 4.26Å; V197-I240 HydrophobicContact CG2-CD1 4.04Å; V197-I240 HydrophobicContact CG2-CG2 4.25Å; L215-I240 HydrophobicContact CD1-CD1 3.49Å; L215-I240 VanDerWaalsContact CD1-CD1 3.49Å; V218-I240 HydrophobicContact CG1-CG2 4.37Å; V218-I240 HydrophobicContact CG2-CD1 4.11Å; V222-I240 HydrophobicContact CG1-CG2 3.7Å; V222-I240 HydrophobicContact CG2-CG2 4.47Å; I225-I240 HydrophobicContact CG1-CG1 4.37Å; I225-I240 HydrophobicContact CG1-CG2 4.23Å; L238-I240 HydrophobicContact CD2-CD1 4.13Å; L238-I240 HydrophobicContact CD2-CG1 4.28Å; L238-I240 HydrophobicContact CG-CD1 4.49Å; L238-I240 HydrophobicContact CG-CG1 4.16Å; I240-T242 HydrophobicContact CG2-CG2 3.66Å; I240-R246 PolarHBondContact N-O 3.11Å; I240-R246 PolarHBondContact O-N 3.47Å; I240-F248 HydrophobicContact CD1-CD2 3.64Å; I240-F248 HydrophobicContact CD1-CE2 3.64Å; I240-F248 HydrophobicContact CG1-CD2 4.35Å
241A97.6Very high93.6Very high0 Ų027.6 Ų27.60%016%0.161CC..EExtended strand (participates in β ladder)trans-97114.4172.700000109.9H223 D224 V280 V283H223-A241 PolarHBondContact N-O 2.88Å; D224-A241 HydrophobicContact CB-CB 3.95Å; D224-A241 WeakPolarHBondContact O-CB 3.48Å; D224-A241 PolarHBondContact O-N 3.24Å; A241-V280 HydrophobicContact CB-CB 4.02Å; A241-V280 HydrophobicContact CB-CG1 3.68Å; A241-V280 WeakPolarHBondContact CB-O 3.31Å; A241-V283 HydrophobicContact CB-CB 4.45Å; A241-V283 HydrophobicContact CB-CG1 3.84Å; A241-V283 HydrophobicContact CB-CG2 4Å
242T95.1Very high93.9Very high0 Ų023.2 Ų23.20%014%0.14CC..SBendtrans-131.2-138.3173.771.40000109.6V218 A221 V222 I240 D244 V280V218-T242 HydrophobicContact CG1-CG2 3.8Å; A221-T242 WeakPolarHBondContact O-CA 3.18Å; A221-T242 WeakPolarHBondContact O-CB 3.45Å; V222-T242 HydrophobicContact CB-CG2 4.48Å; V222-T242 HydrophobicContact CG2-CG2 4.02Å; I240-T242 HydrophobicContact CG2-CG2 3.66Å; T242-D244 PolarHBondContact N-O 3.49Å; T242-D244 PolarHBondContact O-N 3.35Å; T242-D244 PolarHBondContact OG1-N 3.33Å; T242-D244 PolarHBondContact OG1-O 2.91Å; T242-D244 PolarHBondContact OG1-OD1 3.31Å; T242-V280 WeakPolarHBondContact O-CB 2.88Å; T242-V280 PolarHBondContact O-N 3.18Å
243K93.5Very high94.2Very high108 Ų10822.4 Ų22.447%0.4712%0.116SC..SBendtrans-64.8-20.3162.772.9175.7179.6-140.60113.2D220 S278D220-K243 HydrophobicContact CB-CD 4.43Å; D220-K243 HydrophobicContact CB-CG 4.23Å; D220-K243 WeakPolarHBondContact OD1-CD 3.28Å; D220-K243 IonicContact OD1-NZ 3.94Å; D220-K243 PolarHBondContact OD1-NZ 3.21Å; D220-K243 WeakPolarHBondContact OD2-CD 3.28Å; D220-K243 WeakPolarHBondContact OD2-CE 3.32Å; D220-K243 IonicContact OD2-NZ 3.03Å; D220-K243 PolarHBondContact OD2-NZ 3.28Å; K243-S278 VanDerWaalsContact O-O 3.11Å
244D94.1Very high93.5Very high5 Ų531.4 Ų31.43%0.02715%0.15CC..SBendtrans-133.4164.3176.854.727.4000109.7T242 R246 Q272 F273T242-D244 PolarHBondContact N-O 3.49Å; T242-D244 PolarHBondContact O-N 3.35Å; T242-D244 PolarHBondContact OG1-N 3.33Å; T242-D244 PolarHBondContact OG1-O 2.91Å; T242-D244 PolarHBondContact OG1-OD1 3.31Å; D244-R246 VanDerWaalsContact OD1-CG 3.26Å; D244-R246 WeakPolarHBondContact OD1-CG 3.28Å; D244-R246 IonicContact OD1-CZ 3.73Å; D244-R246 IonicContact OD1-NE 3.96Å; D244-R246 PolarHBondContact OD1-NE 3.27Å; D244-R246 IonicContact OD1-NH2 3.26Å; D244-R246 IonicContact OD2-CZ 2.73Å; D244-R246 IonicContact OD2-NE 3.11Å; D244-R246 PolarHBondContact OD2-NE 2.9Å; D244-R246 IonicContact OD2-NH2 2.65Å; D244-R246 PolarHBondContact OD2-NH2 2.9Å; D244-Q272 HydrophobicContact CB-CG 4.45Å; D244-Q272 PolarHBondContact OD2-NE2 3.1Å; D244-F273 WeakPolarHBondContact CA-O 3.32Å; D244-F273 WeakPolarHBondContact CB-O 3.47Å
245V96.8Very high92.6Very high0 Ų031.1 Ų31.10%014%0.137CC..EExtended strand (participates in β ladder)trans-89.4123.6170.5-173.40000107.8Q272 F273 V280 V283 L292 W304V245-Q272 CarbonylContact O-C 3.54Å; V245-Q272 WeakPolarHBondContact O-CA 3.31Å; V245-F273 HydrophobicContact CB-CB 4.25Å; V245-F273 HydrophobicContact CB-CD2 4.48Å; V245-F273 PolarHBondContact N-O 2.6Å; V245-F273 PolarHBondContact O-N 3.34Å; V245-V280 HydrophobicContact CG2-CB 4.47Å; V245-V280 HydrophobicContact CG2-CG1 3.96Å; V245-V280 HydrophobicContact CG2-CG2 3.8Å; V245-V283 HydrophobicContact CG1-CG1 4.23Å; V245-L292 HydrophobicContact CG1-CD2 3.91Å; V245-W304 HydrophobicContact CG2-CZ2 4.33Å
246R96.7Very high91.2Very high16 Ų1637.2 Ų37.26%0.0617%0.166CC..EExtended strand (participates in β ladder)trans-118.8139.7174.8-58.7-170.7-172.1-177.85.5111.4T217 D220 A239 I240 D244 F248 A271 Q272T217-R246 PolarHBondContact O-NH1 3.29Å; D220-R246 IonicContact OD2-NH2 2.78Å; A239-R246 CarbonylContact C-O 3.57Å; A239-R246 WeakPolarHBondContact CA-O 3.34Å; I240-R246 PolarHBondContact N-O 3.11Å; I240-R246 PolarHBondContact O-N 3.47Å; D244-R246 VanDerWaalsContact OD1-CG 3.26Å; D244-R246 WeakPolarHBondContact OD1-CG 3.28Å; D244-R246 IonicContact OD1-CZ 3.73Å; D244-R246 IonicContact OD1-NE 3.96Å; D244-R246 PolarHBondContact OD1-NE 3.27Å; D244-R246 IonicContact OD1-NH2 3.26Å; D244-R246 IonicContact OD2-CZ 2.73Å; D244-R246 IonicContact OD2-NE 3.11Å; D244-R246 PolarHBondContact OD2-NE 2.9Å; D244-R246 IonicContact OD2-NH2 2.65Å; D244-R246 PolarHBondContact OD2-NH2 2.9Å; R246-F248 HydrophobicContact CB-CD2 4.12Å; R246-F248 HydrophobicContact CB-CE2 3.58Å; R246-F248 HydrophobicContact CG-CE2 4.45Å; R246-A271 WeakPolarHBondContact CA-O 3.39Å; R246-Q272 HydrophobicContact CG-CG 4.2Å
247I97Very high89.5Confident0 Ų043.4 Ų43.40%021%0.209CC..EExtended strand (participates in β ladder)trans-119.6118176-53.3178.7000108V237 M270 A271 F273 W285 L292 W312V237-I247 HydrophobicContact CG1-CG2 3.57Å; I247-M270 HydrophobicContact CB-CB 4.46Å; I247-M270 HydrophobicContact CG2-CB 4.28Å; I247-M270 HydrophobicContact CG2-SD 4.35Å; I247-M270 PolarHBondContact O-N 3.34Å; I247-A271 HydrophobicContact CB-CB 4.25Å; I247-A271 HydrophobicContact CD1-CB 4.21Å; I247-A271 HydrophobicContact CG1-CB 4.38Å; I247-A271 PolarHBondContact N-O 2.84Å; I247-A271 PolarHBondContact O-N 3.03Å; I247-F273 HydrophobicContact CD1-CE2 4.23Å; I247-W285 HydrophobicContact CD1-CH2 4.47Å; I247-W285 HydrophobicContact CG2-CH2 4.31Å; I247-W285 HydrophobicContact CG2-CZ2 4.39Å; I247-L292 HydrophobicContact CD1-CD2 3.64Å; I247-L292 HydrophobicContact CG1-CD2 3.84Å; I247-W312 HydrophobicContact CD1-CD2 3.41Å; I247-W312 VanDerWaalsContact CD1-CD2 3.41Å; I247-W312 HydrophobicContact CD1-CE3 3.43Å; I247-W312 VanDerWaalsContact CD1-CE3 3.43Å; I247-W312 HydrophobicContact CD1-CG 3.98Å; I247-W312 HydrophobicContact CD1-CH2 4.21Å; I247-W312 HydrophobicContact CD1-CZ2 4.13Å; I247-W312 HydrophobicContact CD1-CZ3 3.85Å; I247-W312 HydrophobicContact CG2-CZ2 4.11Å
248F96.9Very high87.8Confident1 Ų149 Ų490%0.00424%0.244CC..EExtended strand (participates in β ladder)trans-106.7138.5179.4-73.6-94.8000110.9L215 V218 V237 L238 I240 R246 L250 V267 Q268 I269L215-F248 HydrophobicContact CD1-CD1 4.45Å; L215-F248 HydrophobicContact CD1-CD2 4.29Å; L215-F248 HydrophobicContact CD1-CE1 4.48Å; L215-F248 HydrophobicContact CD1-CE2 4.37Å; L215-F248 HydrophobicContact CD1-CG 4.33Å; L215-F248 HydrophobicContact CD1-CZ 4.46Å; V218-F248 HydrophobicContact CG2-CE2 3.8Å; V218-F248 HydrophobicContact CG2-CZ 3.64Å; V237-F248 CarbonylContact C-O 3.55Å; V237-F248 VanDerWaalsContact CA-O 3.27Å; V237-F248 WeakPolarHBondContact CA-O 3.22Å; L238-F248 HydrophobicContact CB-CB 4.4Å; L238-F248 PolarHBondContact N-O 3.37Å; L238-F248 PolarHBondContact O-N 3.26Å; I240-F248 HydrophobicContact CD1-CD2 3.64Å; I240-F248 HydrophobicContact CD1-CE2 3.64Å; I240-F248 HydrophobicContact CG1-CD2 4.35Å; R246-F248 HydrophobicContact CB-CD2 4.12Å; R246-F248 HydrophobicContact CB-CE2 3.58Å; R246-F248 HydrophobicContact CG-CE2 4.45Å; F248-L250 HydrophobicContact CB-CD2 4.46Å; F248-V267 HydrophobicContact CD1-CG1 3.52Å; F248-V267 HydrophobicContact CE1-CG1 3.97Å; F248-Q268 CarbonylContact C-O 3.59Å; F248-Q268 WeakPolarHBondContact CA-O 3.48Å; F248-I269 HydrophobicContact CD1-CG1 3.94Å; F248-I269 HydrophobicContact CE1-CD1 4.16Å; F248-I269 HydrophobicContact CE1-CG1 3.43Å; F248-I269 VanDerWaalsContact CE1-CG1 3.43Å; F248-I269 HydrophobicContact CZ-CD1 4.37Å; F248-I269 HydrophobicContact CZ-CG1 3.93Å
249K95.4Very high86.3Confident31 Ų3151.8 Ų51.814%0.13526%0.263CS..EExtended strand (participates in β ladder)trans-97.7126.3165.9-179.5172.6-170.2170.30108.2F235 V251 Q268 M270 E310F235-K249 HydrophobicContact CB-CG 4.32Å; F235-K249 HydrophobicContact CD2-CD 4.16Å; F235-K249 HydrophobicContact CD2-CG 3.62Å; F235-K249 HydrophobicContact CE2-CD 4.16Å; F235-K249 HydrophobicContact CE2-CG 4.03Å; F235-K249 HydrophobicContact CG-CD 4.43Å; F235-K249 HydrophobicContact CG-CG 4.02Å; F235-K249 HydrophobicContact CZ-CD 4.48Å; K249-V251 HydrophobicContact CD-CG2 4.5Å; K249-V251 HydrophobicContact CG-CG2 4.01Å; K249-Q268 HydrophobicContact CB-CB 4.27Å; K249-Q268 PolarHBondContact N-O 3.42Å; K249-Q268 PolarHBondContact O-N 2.73Å; K249-M270 HydrophobicContact CB-CG 3.58Å; K249-M270 HydrophobicContact CB-SD 3.78Å; K249-M270 HydrophobicContact CD-CG 4.47Å; K249-M270 HydrophobicContact CD-SD 4.4Å; K249-M270 HydrophobicContact CG-SD 4.48Å; K249-E310 IonicContact NZ-OE1 3.53Å; K249-E310 IonicContact NZ-OE2 2.7Å; K249-E310 PolarHBondContact NZ-OE2 3.49Å; K249-E310 VanDerWaalsContact NZ-OE2 3.11Å
250L95.2Very high84.9Confident1 Ų157.4 Ų57.41%0.00530%0.298CS..EExtended strand (participates in β ladder)trans-117.1107.7-177.3-58174.2000107.4I199 L215 F227 F235 H236 L238 F248 P252 I265 V267I199-L250 HydrophobicContact CD1-CD1 3.7Å; I199-L250 HydrophobicContact CD1-CD2 3.89Å; I199-L250 HydrophobicContact CD1-CG 4.45Å; L215-L250 HydrophobicContact CD2-CD2 4.47Å; F227-L250 HydrophobicContact CE1-CD1 3.78Å; F227-L250 HydrophobicContact CZ-CD1 4.28Å; F235-L250 WeakPolarHBondContact CA-O 3.36Å; F235-L250 WeakPolarHBondContact CB-O 3.23Å; H236-L250 HydrophobicContact CB-CB 4.17Å; H236-L250 PolarHBondContact N-O 2.56Å; H236-L250 PolarHBondContact O-N 2.94Å; L238-L250 HydrophobicContact CB-CD1 3.97Å; L238-L250 HydrophobicContact CD2-CD1 4.37Å; F248-L250 HydrophobicContact CB-CD2 4.46Å; L250-P252 WeakPolarHBondContact O-CD 3.18Å; L250-I265 HydrophobicContact CB-CG2 3.74Å; L250-I265 HydrophobicContact CD2-CG2 4.05Å; L250-I265 HydrophobicContact CG-CG2 4.46Å; L250-V267 HydrophobicContact CD2-CB 4.46Å; L250-V267 HydrophobicContact CD2-CG1 4.26Å; L250-V267 HydrophobicContact CD2-CG2 3.88Å
251V93.3Very high83.7Confident35 Ų3558.9 Ų58.921%0.21231%0.313CS..EExtended strand (participates in β ladder)trans-103.8107.2-178.6-173.20000108.5F235 K249 L253 E266F235-V251 HydrophobicContact CB-CG2 3.99Å; K249-V251 HydrophobicContact CD-CG2 4.5Å; K249-V251 HydrophobicContact CG-CG2 4.01Å; V251-L253 PolarHBondContact O-N 3.09Å; V251-E266 HydrophobicContact CB-CB 4.25Å; V251-E266 PolarHBondContact N-O 3.22Å; V251-E266 PolarHBondContact O-N 2.89Å
252P88.9Confident82.9Confident28 Ų2861.4 Ų61.418%0.18233%0.329CS..EExtended strand (participates in β ladder)trans-65.6122.5174.8-17.531.7000109.5L250 T263L250-P252 WeakPolarHBondContact O-CD 3.18Å; P252-T263 HydrophobicContact CB-CG2 3.99Å
253L85.8Confident82.3Confident65 Ų6562 Ų6234%0.3433%0.333SS..PPolyproline II helixtrans-80.2144.2175.2-61.1174.7000109.5V251 K255 T263 K264 E266V251-L253 PolarHBondContact O-N 3.09Å; L253-K255 PolarHBondContact O-N 2.81Å; L253-T263 WeakPolarHBondContact O-CG2 3.24Å; L253-K264 WeakPolarHBondContact CB-O 3.38Å; L253-K264 HydrophobicContact CD1-CB 4.17Å; L253-K264 HydrophobicContact CD1-CD 3.98Å; L253-K264 HydrophobicContact CD1-CG 3.97Å; L253-K264 PolarHBondContact N-O 2.82Å; L253-E266 HydrophobicContact CD2-CB 4.34Å; L253-E266 HydrophobicContact CG-CB 4.44Å
254R73.7Confident82Confident248 Ų24864.1 Ų64.194%0.93634%0.342SS*.PPolyproline II helixtrans-60.8130178.4-75-176.4179.2150.8-0110
255K68.3Low81.9Confident86 Ų8664.1 Ų64.137%0.37434%0.342SS..PPolyproline II helixtrans-70.7127.2168.5-76.3-178.9177.7159.70109.1E201 L253 G261 P262 T263E201-K255 IonicContact OE1-NZ 2.96Å; E201-K255 PolarHBondContact OE1-NZ 3.24Å; L253-K255 PolarHBondContact O-N 2.81Å; K255-G261 WeakPolarHBondContact CE-O 3.45Å; K255-G261 PolarHBondContact NZ-O 3.08Å; K255-P262 VanDerWaalsContact CE-C 3.48Å; K255-T263 WeakPolarHBondContact CE-OG1 3.24Å; K255-T263 PolarHBondContact NZ-OG1 3.24Å; K255-T263 VanDerWaalsContact NZ-OG1 3.11Å
256E62.9Low81.8Confident156 Ų15668.2 Ų68.273%0.72936%0.361SS*.PPolyproline II helixtrans-66.7142.4159-72.4-176.517200108.4T258 S259E256-T258 PolarHBondContact O-N 2.92Å; E256-S259 PolarHBondContact O-N 3.18Å; E256-S259 PolarHBondContact O-OG 2.86Å
257S58.4Low81.8Confident130 Ų13069.8 Ų69.891%0.90937%0.372SS*.THydrogen-bonded Turntrans-59-12.2-170.150.90000115.1
258T60.6Low81.7Confident120 Ų12073.6 Ų73.674%0.73639%0.39SS*.THydrogen-bonded Turntrans-96.7-7.4-179.752.70000113.9E256E256-T258 PolarHBondContact O-N 2.92Å
259S65.9Low81.6Confident57 Ų5777.3 Ų77.340%0.39941%0.409SS..  trans-86.8119.7-176.464.10000112.6E256E256-S259 PolarHBondContact O-N 3.18Å; E256-S259 PolarHBondContact O-OG 2.86Å
260T69.1Low81.5Confident119 Ų11978 Ų7873%0.7341%0.413SS*.  trans-91-7.7177.855.80000113.7N203N203-T260 PolarHBondContact ND2-O 3.06Å; N203-T260 VanDerWaalsContact ND2-O 3.15Å
261G73.4Confident81.5Confident31 Ų3178.5 Ų78.532%0.3242%0.418SS..SBendtrans-77.7175.7-178.300000114.8K255K255-G261 WeakPolarHBondContact CE-O 3.45Å; K255-G261 PolarHBondContact NZ-O 3.08Å
262P79.3Confident81.6Confident52 Ų5281.7 Ų81.734%0.33843%0.43SS..PPolyproline II helixtrans-61.4159.1172.427.2-33.6000111.1A212 K255 K264A212-P262 HydrophobicContact CB-CB 4Å; K255-P262 VanDerWaalsContact CE-C 3.48Å; P262-K264 PolarHBondContact O-N 3.07Å
263T84.1Confident81.8Confident13 Ų1381.6 Ų81.68%0.0843%0.427CS..PPolyproline II helixtrans-66.1127.9175.8-51.10000108.2E201 P252 L253 K255 I265E201-T263 VanDerWaalsContact CD-OG1 3.27Å; E201-T263 PolarHBondContact OE1-N 3.42Å; E201-T263 PolarHBondContact OE1-OG1 3.04Å; E201-T263 WeakPolarHBondContact OE2-CA 3.38Å; E201-T263 WeakPolarHBondContact OE2-CB 3.23Å; E201-T263 PolarHBondContact OE2-N 3.1Å; E201-T263 PolarHBondContact OE2-OG1 3.35Å; P252-T263 HydrophobicContact CB-CG2 3.99Å; L253-T263 WeakPolarHBondContact O-CG2 3.24Å; K255-T263 WeakPolarHBondContact CE-OG1 3.24Å; K255-T263 PolarHBondContact NZ-OG1 3.24Å; K255-T263 VanDerWaalsContact NZ-OG1 3.11Å; T263-I265 PolarHBondContact O-N 3.39Å
264K87.1Confident82.2Confident152 Ų15283.7 Ų83.766%0.66144%0.439SS*.PPolyproline II helixtrans-68.8128.4172.1-170.9176.6178.7-178.90108.3L253 P262L253-K264 WeakPolarHBondContact CB-O 3.38Å; L253-K264 HydrophobicContact CD1-CB 4.17Å; L253-K264 HydrophobicContact CD1-CD 3.98Å; L253-K264 HydrophobicContact CD1-CG 3.97Å; L253-K264 PolarHBondContact N-O 2.82Å; P262-K264 PolarHBondContact O-N 3.07Å
265I92.2Very high83Confident6 Ų675 Ų753%0.03141%0.411CS..EExtended strand (participates in β ladder)trans-108.6121.6-178.7-59.6174.9000107.8I199 A212 L250 T263 V267I199-I265 HydrophobicContact CG2-CD1 4.19Å; A212-I265 HydrophobicContact CB-CD1 4.05Å; L250-I265 HydrophobicContact CB-CG2 3.74Å; L250-I265 HydrophobicContact CD2-CG2 4.05Å; L250-I265 HydrophobicContact CG-CG2 4.46Å; T263-I265 PolarHBondContact O-N 3.39Å; I265-V267 HydrophobicContact CG2-CG2 4.29Å
266E94.2Very high83.9Confident85 Ų8571.1 Ų71.140%0.39739%0.394SS..EExtended strand (participates in β ladder)trans-77.5124.6167.3-170.4-172.3161.200109V251 L253 Q268V251-E266 HydrophobicContact CB-CB 4.25Å; V251-E266 PolarHBondContact N-O 3.22Å; V251-E266 PolarHBondContact O-N 2.89Å; L253-E266 HydrophobicContact CD2-CB 4.34Å; L253-E266 HydrophobicContact CG-CB 4.44Å; E266-Q268 PolarHBondContact OE1-NE2 2.77Å
267V95.8Very high85.1Confident50 Ų5070.7 Ų70.730%0.30340%0.397SS..EExtended strand (participates in β ladder)trans-107.7123.1-175.7178.90000109.3E213 L215 F248 L250 I265E213-V267 HydrophobicContact CG-CG2 3.64Å; L215-V267 HydrophobicContact CD2-CB 4.42Å; L215-V267 HydrophobicContact CD2-CG1 3.64Å; L215-V267 HydrophobicContact CD2-CG2 3.89Å; F248-V267 HydrophobicContact CD1-CG1 3.52Å; F248-V267 HydrophobicContact CE1-CG1 3.97Å; L250-V267 HydrophobicContact CD2-CB 4.46Å; L250-V267 HydrophobicContact CD2-CG1 4.26Å; L250-V267 HydrophobicContact CD2-CG2 3.88Å; I265-V267 HydrophobicContact CG2-CG2 4.29Å
268Q95.3Very high86.5Confident79 Ų7966.7 Ų66.737%0.36937%0.369SS..EExtended strand (participates in β ladder)trans-126.1135.9175.9-62.2176.2-3.800110.2F248 K249 E266 M270F248-Q268 CarbonylContact C-O 3.59Å; F248-Q268 WeakPolarHBondContact CA-O 3.48Å; K249-Q268 HydrophobicContact CB-CB 4.27Å; K249-Q268 PolarHBondContact N-O 3.42Å; K249-Q268 PolarHBondContact O-N 2.73Å; E266-Q268 PolarHBondContact OE1-NE2 2.77Å; Q268-M270 PolarHBondContact O-N 3.45Å
269I94.9Very high88Confident80 Ų8065.1 Ų65.141%0.4135%0.353SS..EExtended strand (participates in β ladder)trans-81.5114.5172.2-60.9170.8000107.4T217 F248T217-I269 HydrophobicContact CG2-CD1 4.38Å; F248-I269 HydrophobicContact CD1-CG1 3.94Å; F248-I269 HydrophobicContact CE1-CD1 4.16Å; F248-I269 HydrophobicContact CE1-CG1 3.43Å; F248-I269 VanDerWaalsContact CE1-CG1 3.43Å; F248-I269 HydrophobicContact CZ-CD1 4.37Å; F248-I269 HydrophobicContact CZ-CG1 3.93Å
270M93.6Very high89.4Confident44 Ų4462.4 Ų62.422%0.21733%0.334CS..EExtended strand (participates in β ladder)trans-82.5-37.7175.7-63.2-172.478.300111.9V237 I247 K249 Q268 E310V237-M270 HydrophobicContact CG2-SD 4.23Å; I247-M270 HydrophobicContact CB-CB 4.46Å; I247-M270 HydrophobicContact CG2-CB 4.28Å; I247-M270 HydrophobicContact CG2-SD 4.35Å; I247-M270 PolarHBondContact O-N 3.34Å; K249-M270 HydrophobicContact CB-CG 3.58Å; K249-M270 HydrophobicContact CB-SD 3.78Å; K249-M270 HydrophobicContact CD-CG 4.47Å; K249-M270 HydrophobicContact CD-SD 4.4Å; K249-M270 HydrophobicContact CG-SD 4.48Å; Q268-M270 PolarHBondContact O-N 3.45Å; M270-E310 HydrophobicContact CE-CB 3.94Å; M270-E310 HydrophobicContact CE-CG 4.31Å
271A94.3Very high90.7Very high12 Ų1261.9 Ų61.910%0.09932%0.319CS..EExtended strand (participates in β ladder)trans-157.5149.2-178.100000111.6R246 I247 F273 W312R246-A271 WeakPolarHBondContact CA-O 3.39Å; I247-A271 HydrophobicContact CB-CB 4.25Å; I247-A271 HydrophobicContact CD1-CB 4.21Å; I247-A271 HydrophobicContact CG1-CB 4.38Å; I247-A271 PolarHBondContact N-O 2.84Å; I247-A271 PolarHBondContact O-N 3.03Å; A271-F273 HydrophobicContact CB-CD2 4.28Å; A271-F273 HydrophobicContact CB-CE2 3.5Å; A271-F273 VanDerWaalsContact CB-CE2 3.5Å; A271-F273 HydrophobicContact CB-CZ 3.68Å; A271-W312 HydrophobicContact CB-CB 3.77Å; A271-W312 HydrophobicContact CB-CG 3.86Å
272Q95.2Very high91.8Very high102 Ų10263.3 Ų63.348%0.47732%0.315SS..EExtended strand (participates in β ladder)trans-137.6128.3171.7179.1177.6-3.400107.6D244 V245 R246D244-Q272 HydrophobicContact CB-CG 4.45Å; D244-Q272 PolarHBondContact OD2-NE2 3.1Å; V245-Q272 CarbonylContact O-C 3.54Å; V245-Q272 WeakPolarHBondContact O-CA 3.31Å; R246-Q272 HydrophobicContact CG-CG 4.2Å
273F94.1Very high92.7Very high27 Ų2761.1 Ų61.112%0.11830%0.3CS..EExtended strand (participates in β ladder)trans-130.1118.7-177-57.7-67.1000111D244 V245 I247 A271 W304 W312D244-F273 WeakPolarHBondContact CA-O 3.32Å; D244-F273 WeakPolarHBondContact CB-O 3.47Å; V245-F273 HydrophobicContact CB-CB 4.25Å; V245-F273 HydrophobicContact CB-CD2 4.48Å; V245-F273 PolarHBondContact N-O 2.6Å; V245-F273 PolarHBondContact O-N 3.34Å; I247-F273 HydrophobicContact CD1-CE2 4.23Å; A271-F273 HydrophobicContact CB-CD2 4.28Å; A271-F273 HydrophobicContact CB-CE2 3.5Å; A271-F273 VanDerWaalsContact CB-CE2 3.5Å; A271-F273 HydrophobicContact CB-CZ 3.68Å; F273-W304 HydrophobicContact CB-CE3 4.4Å; F273-W304 HydrophobicContact CB-CH2 3.4Å; F273-W304 HydrophobicContact CB-CZ2 3.98Å; F273-W304 HydrophobicContact CB-CZ3 3.65Å; F273-W304 AromaticContact CD1-CE3 3.92Å; F273-W304 HydrophobicContact CD1-CE3 3.92Å; F273-W304 HydrophobicContact CD1-CH2 4Å; F273-W304 AromaticContact CD1-CZ3 3.34Å; F273-W304 HydrophobicContact CD1-CZ3 3.34Å; F273-W304 AromaticContact CD2-CD2 3.88Å; F273-W304 HydrophobicContact CD2-CD2 3.88Å; F273-W304 AromaticContact CD2-CE3 3.48Å; F273-W304 HydrophobicContact CD2-CE3 3.48Å; F273-W304 VanDerWaalsContact CD2-CE3 3.48Å; F273-W304 HydrophobicContact CD2-CH2 4.05Å; F273-W304 HydrophobicContact CD2-CZ2 4.4Å; F273-W304 AromaticContact CD2-CZ3 3.58Å; F273-W304 HydrophobicContact CD2-CZ3 3.58Å; F273-W304 AromaticContact CE1-CE3 3.96Å; F273-W304 HydrophobicContact CE1-CE3 3.96Å; F273-W304 AromaticContact CE1-CZ3 3.76Å; F273-W304 HydrophobicContact CE1-CZ3 3.76Å; F273-W304 HydrophobicContact CE2-CD2 4.04Å; F273-W304 AromaticContact CE2-CE3 3.51Å; F273-W304 HydrophobicContact CE2-CE3 3.51Å; F273-W304 AromaticContact CE2-CZ3 3.97Å; F273-W304 HydrophobicContact CE2-CZ3 3.97Å; F273-W304 HydrophobicContact CG-CD2 4.36Å; F273-W304 AromaticContact CG-CE3 3.67Å; F273-W304 HydrophobicContact CG-CE3 3.67Å; F273-W304 AromaticContact CG-CH2 3.57Å; F273-W304 HydrophobicContact CG-CH2 3.57Å; F273-W304 HydrophobicContact CG-CZ2 4.27Å; F273-W304 AromaticContact CG-CZ3 3.22Å; F273-W304 HydrophobicContact CG-CZ3 3.22Å; F273-W304 AromaticContact CZ-CE3 3.75Å; F273-W304 HydrophobicContact CZ-CE3 3.75Å; F273-W304 HydrophobicContact CZ-CZ3 4.04Å; F273-W312 HydrophobicContact CE2-CB 3.85Å; F273-W312 HydrophobicContact CZ-CB 3.44Å; F273-W312 VanDerWaalsContact CZ-CB 3.44Å
274D93.7Very high93.3Very high109 Ų10964 Ų6458%0.58332%0.321SS*.  trans-97.97175.859.8-8.2000112.4H276 N277D274-H276 PolarHBondContact O-N 3.03Å; D274-N277 PolarHBondContact O-N 3.3Å; D274-N277 PolarHBondContact O-OD1 3Å; D274-N277 VanDerWaalsContact O-OD1 3.12Å
275N90.4Very high93.7Very high66 Ų6658 Ų5835%0.35329%0.294SS..THydrogen-bonded Turntrans-62-15.7-171.3-58.9107.4000115.4R302 W304N275-R302 PolarHBondContact O-NH2 3.2Å; N275-W304 HydrophobicContact CB-CH2 4.04Å; N275-W304 VanDerWaalsContact OD1-CH2 3.3Å; N275-W304 WeakPolarHBondContact OD1-CH2 3.28Å
276H88.1Confident93.8Very high4 Ų459.9 Ų59.92%0.01930%0.304CS..THydrogen-bonded Turntrans-71.1-20.8171.1-78.4-77.4000112.1D274 S278 V280 S294 D298 C300D274-H276 PolarHBondContact O-N 3.03Å; H276-S278 PolarHBondContact O-N 3.13Å; H276-V280 HydrophobicContact CB-CG2 4.27Å; H276-S294 PolarHBondContact NE2-OG 3.3Å; H276-D298 WeakPolarHBondContact CA-OD2 3.49Å; H276-D298 IonicContact CE1-OD1 3.53Å; H276-D298 IonicContact CE1-OD2 3.43Å; H276-D298 IonicContact CG-OD1 2.9Å; H276-D298 IonicContact CG-OD2 3.41Å; H276-D298 IonicContact ND1-OD1 3.91Å; H276-D298 PolarHBondContact ND1-OD1 2.89Å; H276-D298 IonicContact ND1-OD2 3.53Å; H276-D298 PolarHBondContact ND1-OD2 3.26Å; H276-C300 PolarHBondContact CE1-O 2.84Å
277N87.5Confident93.6Very high147 Ų14763.1 Ų63.179%0.78632%0.322SS*.SBendtrans5116.1-174-63.8-24000114.2D274D274-N277 PolarHBondContact O-N 3.3Å; D274-N277 PolarHBondContact O-OD1 3Å; D274-N277 VanDerWaalsContact O-OD1 3.12Å
278S87Confident93.3Very high45 Ų4563.8 Ų63.832%0.31533%0.327SS..SBendtrans-157.8-179.8-179.6-157.30000109.7K243 H276 V280 D297K243-S278 VanDerWaalsContact O-O 3.11Å; H276-S278 PolarHBondContact O-N 3.13Å; S278-V280 PolarHBondContact O-N 3.17Å; S278-D297 WeakPolarHBondContact OG-CB 3.25Å; S278-D297 PolarHBondContact OG-OD2 3.32Å
279Q92.6Very high93Very high88 Ų8860.6 Ų60.641%0.41131%0.313SS..  trans-58.6134.4179.5-60.7171.6-2.100111G296 D297Q279-G296 CarbonylContact O-C 3.58Å; Q279-G296 WeakPolarHBondContact O-CA 3.5Å; Q279-D297 WeakPolarHBondContact CB-OD2 3.2Å; Q279-D297 PolarHBondContact N-OD2 2.85Å; Q279-D297 PolarHBondContact O-N 2.88Å; Q279-D297 VanDerWaalsContact O-N 3.12Å
280V96.4Very high92.8Very high0 Ų060.1 Ų60.10%031%0.314CS..EExtended strand (participates in β ladder)trans-94.5121172.6-174.40000107H223 A241 T242 V245 H276 S278 V283 S295H223-V280 WeakPolarHBondContact CB-O 3.46Å; H223-V280 PolarHBondContact CD2-O 3.08Å; A241-V280 HydrophobicContact CB-CB 4.02Å; A241-V280 HydrophobicContact CB-CG1 3.68Å; A241-V280 WeakPolarHBondContact CB-O 3.31Å; T242-V280 WeakPolarHBondContact O-CB 2.88Å; T242-V280 PolarHBondContact O-N 3.18Å; V245-V280 HydrophobicContact CG2-CB 4.47Å; V245-V280 HydrophobicContact CG2-CG1 3.96Å; V245-V280 HydrophobicContact CG2-CG2 3.8Å; H276-V280 HydrophobicContact CB-CG2 4.27Å; S278-V280 PolarHBondContact O-N 3.17Å; V280-V283 HydrophobicContact CG1-CG1 4.4Å; V280-S295 CarbonylContact C-O 3.59Å; V280-S295 WeakPolarHBondContact CA-O 3.22Å; V280-S295 VanDerWaalsContact CG1-O 3.25Å; V280-S295 WeakPolarHBondContact CG1-O 3.5Å
281W95.6Very high92.9Very high108 Ų10860.4 Ų60.441%0.40932%0.316SS..EExtended strand (participates in β ladder)trans-91.8-36.6-175.2-71.7104.7000113.7H223 D224 S295 D297H223-W281 HydrophobicContact CB-CE3 4.19Å; H223-W281 AromaticContact ND1-CE3 3.98Å; H223-W281 AromaticContact ND1-CZ3 3.65Å; D224-W281 WeakPolarHBondContact CB-O 3.19Å; W281-S295 PolarHBondContact N-O 2.76Å; W281-D297 PolarHBondContact NE1-OD1 2.98Å
282R96.5Very high93Very high61 Ų6159.9 Ų59.923%0.2331%0.312CS..EExtended strand (participates in β ladder)trans-138144.4-174.7-59.7-65.3-171.2131.87.8111.9H16 D17 D224 S294 S295H16-R282 PolarHBondContact O-NH2 3.27Å; D17-R282 IonicContact OD1-CZ 2.76Å; D17-R282 IonicContact OD1-NH1 3.05Å; D17-R282 PolarHBondContact OD1-NH1 3.08Å; D17-R282 IonicContact OD1-NH2 3.96Å; D17-R282 PolarHBondContact OD1-NH2 2.76Å; D224-R282 WeakPolarHBondContact OD2-CA 3.4Å; D224-R282 WeakPolarHBondContact OD2-CD 3.4Å; R282-S294 VanDerWaalsContact O-CA 3.29Å; R282-S294 WeakPolarHBondContact O-CA 3.26Å; R282-S295 WeakPolarHBondContact CB-OG 3.36Å; R282-S295 PolarHBondContact N-O 2.63Å; R282-S295 PolarHBondContact O-N 2.96Å
283V97.7Very high93.1Very high5 Ų556.3 Ų56.33%0.0330%0.3CS..EExtended strand (participates in β ladder)trans-131.7135.4169.7-78.90000109.9D224 A226 A239 A241 V245 V280 L292 A293D224-V283 HydrophobicContact CB-CG2 4.14Å; D224-V283 PolarHBondContact OD2-N 3.16Å; A226-V283 HydrophobicContact CB-CG2 4.23Å; A239-V283 HydrophobicContact CB-CB 4.26Å; A239-V283 HydrophobicContact CB-CG2 4.32Å; A241-V283 HydrophobicContact CB-CB 4.45Å; A241-V283 HydrophobicContact CB-CG1 3.84Å; A241-V283 HydrophobicContact CB-CG2 4Å; V245-V283 HydrophobicContact CG1-CG1 4.23Å; V280-V283 HydrophobicContact CG1-CG1 4.4Å; V283-L292 HydrophobicContact CB-CD1 4.21Å; V283-A293 CarbonylContact C-O 3.55Å; V283-A293 VanDerWaalsContact CA-O 3.3Å; V283-A293 WeakPolarHBondContact CA-O 3.35Å
284S97.2Very high93.2Very high74 Ų7455.1 Ų55.152%0.51730%0.295SS..EExtended strand (participates in β ladder)trans-145.2134-179.3-172.30000111.9A293S284-A293 PolarHBondContact N-O 2.85Å; S284-A293 PolarHBondContact O-N 2.92Å
285W96.6Very high93.3Very high26 Ų2651.5 Ų51.510%0.09828%0.278CS..EExtended strand (participates in β ladder)trans-89.2145.4176.1-69.5103.9000111A226 A228 V237 A239 I247 L292 W312A226-W285 PolarHBondContact O-NE1 3.16Å; A228-W285 VanDerWaalsContact CA-CD1 3.5Å; A228-W285 HydrophobicContact CB-CD2 3.56Å; A228-W285 VanDerWaalsContact CB-CE2 3.43Å; A228-W285 HydrophobicContact CB-CE3 4.13Å; A228-W285 HydrophobicContact CB-CG 3.81Å; A228-W285 HydrophobicContact CB-CH2 4.45Å; A228-W285 HydrophobicContact CB-CZ2 3.91Å; V237-W285 HydrophobicContact CG1-CH2 3.93Å; V237-W285 HydrophobicContact CG1-CZ2 3.66Å; A239-W285 HydrophobicContact CB-CZ2 3.69Å; I247-W285 HydrophobicContact CD1-CH2 4.47Å; I247-W285 HydrophobicContact CG2-CH2 4.31Å; I247-W285 HydrophobicContact CG2-CZ2 4.39Å; W285-L292 HydrophobicContact CD2-CB 4.42Å; W285-L292 HydrophobicContact CD2-CD1 3.86Å; W285-L292 HydrophobicContact CE3-CB 3.89Å; W285-L292 HydrophobicContact CE3-CD1 4.19Å; W285-L292 HydrophobicContact CG-CD1 4.32Å; W285-L292 HydrophobicContact CH2-CB 3.92Å; W285-L292 HydrophobicContact CH2-CD1 4.32Å; W285-L292 HydrophobicContact CH2-CD2 4.29Å; W285-L292 HydrophobicContact CH2-CG 4.42Å; W285-L292 HydrophobicContact CZ2-CB 4.46Å; W285-L292 HydrophobicContact CZ2-CD1 4Å; W285-L292 HydrophobicContact CZ2-CD2 4.36Å; W285-L292 HydrophobicContact CZ3-CB 3.61Å; W285-L292 HydrophobicContact CZ3-CD1 4.4Å; W285-L292 HydrophobicContact CZ3-CG 4.48Å; W285-W312 AromaticContact CH2-CH2 3.36Å; W285-W312 HydrophobicContact CH2-CH2 3.36Å; W285-W312 AromaticContact CH2-CZ2 3.98Å; W285-W312 HydrophobicContact CH2-CZ2 3.98Å; W285-W312 AromaticContact CH2-CZ3 3.94Å; W285-W312 HydrophobicContact CH2-CZ3 3.94Å; W285-W312 AromaticContact CZ3-CH2 3.41Å; W285-W312 HydrophobicContact CZ3-CH2 3.41Å; W285-W312 VanDerWaalsContact CZ3-CH2 3.41Å; W285-W312 HydrophobicContact CZ3-CZ2 4.39Å; W285-W312 AromaticContact CZ3-CZ3 3.87Å; W285-W312 HydrophobicContact CZ3-CZ3 3.87Å
286N94.1Very high93.4Very high46 Ų4648.9 Ų48.925%0.24627%0.267CS..  trans-69.8161.6161.872.8-13.8000111.3T288 S289 T290 L291N286-T288 PolarHBondContact ND2-OG1 2.94Å; N286-T288 PolarHBondContact O-N 2.89Å; N286-T288 VanDerWaalsContact O-N 3.08Å; N286-S289 PolarHBondContact O-N 2.81Å; N286-S289 WeakPolarHBondContact OD1-CA 3.11Å; N286-S289 PolarHBondContact OD1-N 2.83Å; N286-T290 PolarHBondContact ND2-OG1 3.21Å; N286-T290 PolarHBondContact OD1-N 3.11Å; N286-L291 HydrophobicContact CB-CB 4.16Å; N286-L291 PolarHBondContact N-O 3.45Å; N286-L291 WeakPolarHBondContact ND2-CB 3.37Å; N286-L291 PolarHBondContact ND2-N 2.94Å; N286-L291 PolarHBondContact OD1-N 3.2Å; N286-L291 PolarHBondContact OD1-O 2.83Å
287I89.6Confident93.5Very high152 Ų15252.6 Ų52.678%0.77929%0.287SS*.THydrogen-bonded Turntrans-57.6-26.4-179.157.1163.8000113.6
288T88.9Confident93.6Very high64 Ų6448 Ų4839%0.39326%0.262SS..THydrogen-bonded Turntrans-90.8-0.4179.459.90000114L231 N286 T290L231-T288 VanDerWaalsContact CD1-CA 3.46Å; N286-T288 PolarHBondContact ND2-OG1 2.94Å; N286-T288 PolarHBondContact O-N 2.89Å; N286-T288 VanDerWaalsContact O-N 3.08Å; T288-T290 PolarHBondContact O-N 2.86Å; T288-T290 VanDerWaalsContact O-N 3.15Å; T288-T290 PolarHBondContact OG1-OG1 2.79Å
289S89.1Confident93.7Very high12 Ų1248.2 Ų48.28%0.08427%0.271CS..SBendtrans55.624.4-174.5-179.40000115.1A228 P229 R233 N286A228-S289 WeakPolarHBondContact CB-OG 3.41Å; P229-S289 WeakPolarHBondContact O-CB 3.37Å; P229-S289 PolarHBondContact O-OG 2.85Å; R233-S289 VanDerWaalsContact CZ-OG 3.29Å; R233-S289 PolarHBondContact NH1-OG 3.26Å; R233-S289 PolarHBondContact NH2-OG 2.89Å; N286-S289 PolarHBondContact O-N 2.81Å; N286-S289 WeakPolarHBondContact OD1-CA 3.11Å; N286-S289 PolarHBondContact OD1-N 2.83Å
290T90.6Very high93.7Very high71 Ų7144.7 Ų44.744%0.43626%0.256SS..SBendtrans-101.3-17.6179.755.90000113.2N286 T288N286-T290 PolarHBondContact ND2-OG1 3.21Å; N286-T290 PolarHBondContact OD1-N 3.11Å; T288-T290 PolarHBondContact O-N 2.86Å; T288-T290 VanDerWaalsContact O-N 3.15Å; T288-T290 PolarHBondContact OG1-OG1 2.79Å
291L94.8Very high93.5Very high50 Ų5047.3 Ų47.326%0.26227%0.272SS..EExtended strand (participates in β ladder)trans-131.4130.7-177.7-16674.1000109.1N286 L303 W304 K305N286-L291 HydrophobicContact CB-CB 4.16Å; N286-L291 PolarHBondContact N-O 3.45Å; N286-L291 WeakPolarHBondContact ND2-CB 3.37Å; N286-L291 PolarHBondContact ND2-N 2.94Å; N286-L291 PolarHBondContact OD1-N 3.2Å; N286-L291 PolarHBondContact OD1-O 2.83Å; L291-L303 HydrophobicContact CD1-CB 4.17Å; L291-L303 HydrophobicContact CD2-CD1 4.39Å; L291-L303 HydrophobicContact CD2-CD2 4.23Å; L291-W304 WeakPolarHBondContact CA-O 3.37Å; L291-K305 HydrophobicContact CD1-CB 4.14Å
292L97.1Very high93.5Very high0 Ų043.9 Ų43.90%026%0.259CS..EExtended strand (participates in β ladder)trans-108.5134.7171176.667.8000108.7A239 V245 I247 V283 W285 L303 W304 W312A239-L292 HydrophobicContact CB-CD1 3.59Å; A239-L292 HydrophobicContact CB-CD2 3.9Å; A239-L292 HydrophobicContact CB-CG 4.42Å; V245-L292 HydrophobicContact CG1-CD2 3.91Å; I247-L292 HydrophobicContact CD1-CD2 3.64Å; I247-L292 HydrophobicContact CG1-CD2 3.84Å; V283-L292 HydrophobicContact CB-CD1 4.21Å; W285-L292 HydrophobicContact CD2-CB 4.42Å; W285-L292 HydrophobicContact CD2-CD1 3.86Å; W285-L292 HydrophobicContact CE3-CB 3.89Å; W285-L292 HydrophobicContact CE3-CD1 4.19Å; W285-L292 HydrophobicContact CG-CD1 4.32Å; W285-L292 HydrophobicContact CH2-CB 3.92Å; W285-L292 HydrophobicContact CH2-CD1 4.32Å; W285-L292 HydrophobicContact CH2-CD2 4.29Å; W285-L292 HydrophobicContact CH2-CG 4.42Å; W285-L292 HydrophobicContact CZ2-CB 4.46Å; W285-L292 HydrophobicContact CZ2-CD1 4Å; W285-L292 HydrophobicContact CZ2-CD2 4.36Å; W285-L292 HydrophobicContact CZ3-CB 3.61Å; W285-L292 HydrophobicContact CZ3-CD1 4.4Å; W285-L292 HydrophobicContact CZ3-CG 4.48Å; L292-L303 CarbonylContact O-C 3.52Å; L292-L303 WeakPolarHBondContact O-CA 3.43Å; L292-W304 HydrophobicContact CB-CB 4.19Å; L292-W304 PolarHBondContact N-O 3.13Å; L292-W304 PolarHBondContact O-N 2.92Å; L292-W312 HydrophobicContact CB-CZ3 4.37Å
293A96.8Very high93.4Very high28 Ų2843 Ų4323%0.23126%0.259CS..EExtended strand (participates in β ladder)trans-103.9140.8166.800000109.7V283 S284 V301 R302 L303V283-A293 CarbonylContact C-O 3.55Å; V283-A293 VanDerWaalsContact CA-O 3.3Å; V283-A293 WeakPolarHBondContact CA-O 3.35Å; S284-A293 PolarHBondContact N-O 2.85Å; S284-A293 PolarHBondContact O-N 2.92Å; A293-V301 HydrophobicContact CB-CG1 4.4Å; A293-R302 CarbonylContact C-O 3.53Å; A293-R302 VanDerWaalsContact CA-O 3.29Å; A293-R302 WeakPolarHBondContact CA-O 3.27Å; A293-L303 HydrophobicContact CB-CD2 3.83Å
294S96.9Very high93.3Very high1 Ų142.8 Ų42.81%0.00726%0.257CS..EExtended strand (participates in β ladder)trans-131149.3169660000110.9H276 R282 V301 R302 W304H276-S294 PolarHBondContact NE2-OG 3.3Å; R282-S294 VanDerWaalsContact O-CA 3.29Å; R282-S294 WeakPolarHBondContact O-CA 3.26Å; S294-V301 CarbonylContact O-C 3.57Å; S294-V301 VanDerWaalsContact O-CA 3.25Å; S294-V301 WeakPolarHBondContact O-CA 3.46Å; S294-R302 PolarHBondContact N-O 3.05Å; S294-R302 PolarHBondContact O-N 3.26Å; S294-W304 PolarHBondContact OG-NE1 3.09Å
295S95.3Very high93.2Very high33 Ų3344.6 Ų44.623%0.23126%0.256CS..EExtended strand (participates in β ladder)trans-132.5147174.764.80000110.7V280 W281 R282V280-S295 CarbonylContact C-O 3.59Å; V280-S295 WeakPolarHBondContact CA-O 3.22Å; V280-S295 VanDerWaalsContact CG1-O 3.25Å; V280-S295 WeakPolarHBondContact CG1-O 3.5Å; W281-S295 PolarHBondContact N-O 2.76Å; R282-S295 WeakPolarHBondContact CB-OG 3.36Å; R282-S295 PolarHBondContact N-O 2.63Å; R282-S295 PolarHBondContact O-N 2.96Å
296G93.4Very high93Very high11 Ų1145 Ų4511%0.11326%0.264CS..EExtended strand (participates in β ladder)trans-149.2-175.9-178.300000113.3Q279 D298 G299Q279-G296 CarbonylContact O-C 3.58Å; Q279-G296 WeakPolarHBondContact O-CA 3.5Å; G296-D298 PolarHBondContact O-N 2.9Å; G296-G299 PolarHBondContact O-N 3.24Å
297D90.6Very high92.8Very high83 Ų8345.6 Ų45.644%0.44427%0.268SS..THydrogen-bonded Turntrans-66-14-179-59.3-49.5000114.3S278 Q279 W281 G299S278-D297 WeakPolarHBondContact OG-CB 3.25Å; S278-D297 PolarHBondContact OG-OD2 3.32Å; Q279-D297 WeakPolarHBondContact CB-OD2 3.2Å; Q279-D297 PolarHBondContact N-OD2 2.85Å; Q279-D297 PolarHBondContact O-N 2.88Å; Q279-D297 VanDerWaalsContact O-N 3.12Å; W281-D297 PolarHBondContact NE1-OD1 2.98Å; D297-G299 PolarHBondContact O-N 2.83Å
298D89.6Confident92.6Very high51 Ų5148.5 Ų48.527%0.27327%0.27SS..THydrogen-bonded Turntrans-66.4-1.2173.667.7-14.1000112.9H276 G296 C300 R302H276-D298 WeakPolarHBondContact CA-OD2 3.49Å; H276-D298 IonicContact CE1-OD1 3.53Å; H276-D298 IonicContact CE1-OD2 3.43Å; H276-D298 IonicContact CG-OD1 2.9Å; H276-D298 IonicContact CG-OD2 3.41Å; H276-D298 IonicContact ND1-OD1 3.91Å; H276-D298 PolarHBondContact ND1-OD1 2.89Å; H276-D298 IonicContact ND1-OD2 3.53Å; H276-D298 PolarHBondContact ND1-OD2 3.26Å; G296-D298 PolarHBondContact O-N 2.9Å; D298-C300 PolarHBondContact O-N 3.03Å; D298-C300 PolarHBondContact O-SG 3.36Å; D298-C300 VanDerWaalsContact O-SG 3.39Å; D298-C300 PolarHBondContact OD1-N 2.79Å; D298-C300 VanDerWaalsContact OD1-N 3.14Å; D298-R302 IonicContact OD2-NE 3.49Å; D298-R302 IonicContact OD2-NH2 3.55Å
299G89Confident92.5Very high48 Ų4850.9 Ų50.950%0.49528%0.279SS..SBendtrans67.918179.900000112.5G296 D297 G320G296-G299 PolarHBondContact O-N 3.24Å; D297-G299 PolarHBondContact O-N 2.83Å; G299-G320 PolarHBondContact O-N 3.45Å; G299-G320 VanDerWaalsContact O-N 3.15Å
300C91.2Very high92.3Very high14 Ų1454.5 Ų54.510%0.09529%0.294CS..EExtended strand (participates in β ladder)trans-115.7146.3-177.9-62.80000110.9H276 D298 I317 L318H276-C300 PolarHBondContact CE1-O 2.84Å; D298-C300 PolarHBondContact O-N 3.03Å; D298-C300 PolarHBondContact O-SG 3.36Å; D298-C300 VanDerWaalsContact O-SG 3.39Å; D298-C300 PolarHBondContact OD1-N 2.79Å; D298-C300 VanDerWaalsContact OD1-N 3.14Å; C300-I317 HydrophobicContact CB-CG2 3.81Å; C300-L318 CarbonylContact C-O 3.57Å; C300-L318 VanDerWaalsContact CA-O 3.3Å; C300-L318 WeakPolarHBondContact CA-O 3.32Å
301V93.3Very high92.2Very high56 Ų5655.3 Ų55.334%0.33930%0.296SS..EExtended strand (participates in β ladder)trans-105.5124.9165.2-1790000108A293 S294 I317 L318A293-V301 HydrophobicContact CB-CG1 4.4Å; S294-V301 CarbonylContact O-C 3.57Å; S294-V301 VanDerWaalsContact O-CA 3.25Å; S294-V301 WeakPolarHBondContact O-CA 3.46Å; V301-I317 CarbonylContact O-C 3.54Å; V301-I317 WeakPolarHBondContact O-CA 3.35Å; V301-L318 HydrophobicContact CB-CB 4.28Å; V301-L318 PolarHBondContact N-O 3.47Å; V301-L318 PolarHBondContact O-N 2.75Å
302R94.3Very high92.2Very high36 Ų3654.1 Ų54.114%0.13629%0.288CS..EExtended strand (participates in β ladder)trans-108.1139.5179.9-65.9177.6175.4-93.81110.1N275 A293 S294 D298 W304 I317N275-R302 PolarHBondContact O-NH2 3.2Å; A293-R302 CarbonylContact C-O 3.53Å; A293-R302 VanDerWaalsContact CA-O 3.29Å; A293-R302 WeakPolarHBondContact CA-O 3.27Å; S294-R302 PolarHBondContact N-O 3.05Å; S294-R302 PolarHBondContact O-N 3.26Å; D298-R302 IonicContact OD2-NE 3.49Å; D298-R302 IonicContact OD2-NH2 3.55Å; R302-W304 HydrophobicContact CB-CZ2 3.66Å; R302-W304 HydrophobicContact CG-CZ2 4.27Å; R302-I317 HydrophobicContact CG-CG1 4.32Å; R302-I317 HydrophobicContact CG-CG2 4.14Å; R302-I317 VanDerWaalsContact NH1-CD1 3.33Å
303L95.3Very high92Very high43 Ų4360.5 Ų60.523%0.22532%0.316CS..EExtended strand (participates in β ladder)trans-108.8123.9177.1-60-179.4000109.9L291 L292 A293 C314 T315 G316L291-L303 HydrophobicContact CD1-CB 4.17Å; L291-L303 HydrophobicContact CD2-CD1 4.39Å; L291-L303 HydrophobicContact CD2-CD2 4.23Å; L292-L303 CarbonylContact O-C 3.52Å; L292-L303 WeakPolarHBondContact O-CA 3.43Å; A293-L303 HydrophobicContact CB-CD2 3.83Å; L303-C314 CarbonylContact O-C 3.52Å; L303-C314 WeakPolarHBondContact O-CA 3.33Å; L303-T315 PolarHBondContact O-N 3.21Å; L303-T315 PolarHBondContact O-OG1 3.18Å; L303-T315 VanDerWaalsContact O-OG1 3.08Å; L303-G316 PolarHBondContact N-O 3.29Å
304W95.7Very high91.9Very high0 Ų061.5 Ų61.50%032%0.32CS..EExtended strand (participates in β ladder)trans-115.2134.5-176.3-4387.3000110.6V245 F273 N275 L291 L292 S294 R302 W312 K313 C314V245-W304 HydrophobicContact CG2-CZ2 4.33Å; F273-W304 HydrophobicContact CB-CE3 4.4Å; F273-W304 HydrophobicContact CB-CH2 3.4Å; F273-W304 HydrophobicContact CB-CZ2 3.98Å; F273-W304 HydrophobicContact CB-CZ3 3.65Å; F273-W304 AromaticContact CD1-CE3 3.92Å; F273-W304 HydrophobicContact CD1-CE3 3.92Å; F273-W304 HydrophobicContact CD1-CH2 4Å; F273-W304 AromaticContact CD1-CZ3 3.34Å; F273-W304 HydrophobicContact CD1-CZ3 3.34Å; F273-W304 AromaticContact CD2-CD2 3.88Å; F273-W304 HydrophobicContact CD2-CD2 3.88Å; F273-W304 AromaticContact CD2-CE3 3.48Å; F273-W304 HydrophobicContact CD2-CE3 3.48Å; F273-W304 VanDerWaalsContact CD2-CE3 3.48Å; F273-W304 HydrophobicContact CD2-CH2 4.05Å; F273-W304 HydrophobicContact CD2-CZ2 4.4Å; F273-W304 AromaticContact CD2-CZ3 3.58Å; F273-W304 HydrophobicContact CD2-CZ3 3.58Å; F273-W304 AromaticContact CE1-CE3 3.96Å; F273-W304 HydrophobicContact CE1-CE3 3.96Å; F273-W304 AromaticContact CE1-CZ3 3.76Å; F273-W304 HydrophobicContact CE1-CZ3 3.76Å; F273-W304 HydrophobicContact CE2-CD2 4.04Å; F273-W304 AromaticContact CE2-CE3 3.51Å; F273-W304 HydrophobicContact CE2-CE3 3.51Å; F273-W304 AromaticContact CE2-CZ3 3.97Å; F273-W304 HydrophobicContact CE2-CZ3 3.97Å; F273-W304 HydrophobicContact CG-CD2 4.36Å; F273-W304 AromaticContact CG-CE3 3.67Å; F273-W304 HydrophobicContact CG-CE3 3.67Å; F273-W304 AromaticContact CG-CH2 3.57Å; F273-W304 HydrophobicContact CG-CH2 3.57Å; F273-W304 HydrophobicContact CG-CZ2 4.27Å; F273-W304 AromaticContact CG-CZ3 3.22Å; F273-W304 HydrophobicContact CG-CZ3 3.22Å; F273-W304 AromaticContact CZ-CE3 3.75Å; F273-W304 HydrophobicContact CZ-CE3 3.75Å; F273-W304 HydrophobicContact CZ-CZ3 4.04Å; N275-W304 HydrophobicContact CB-CH2 4.04Å; N275-W304 VanDerWaalsContact OD1-CH2 3.3Å; N275-W304 WeakPolarHBondContact OD1-CH2 3.28Å; L291-W304 WeakPolarHBondContact CA-O 3.37Å; L292-W304 HydrophobicContact CB-CB 4.19Å; L292-W304 PolarHBondContact N-O 3.13Å; L292-W304 PolarHBondContact O-N 2.92Å; S294-W304 PolarHBondContact OG-NE1 3.09Å; R302-W304 HydrophobicContact CB-CZ2 3.66Å; R302-W304 HydrophobicContact CG-CZ2 4.27Å; W304-W312 HydrophobicContact CB-CE3 4.11Å; W304-K313 WeakPolarHBondContact CA-O 3.46Å; W304-C314 HydrophobicContact CE3-CB 3.83Å; W304-C314 HydrophobicContact CH2-CB 4.33Å; W304-C314 HydrophobicContact CZ3-CB 3.67Å
305K94.9Very high91.6Very high111 Ų11165.3 Ų65.348%0.48334%0.344SS..EExtended strand (participates in β ladder)trans-137136.9179.5-173.6172.6-179.8-179.40110.1L291 K313 T315L291-K305 HydrophobicContact CD1-CB 4.14Å; K305-K313 PolarHBondContact N-O 3.08Å; K305-K313 PolarHBondContact O-N 3.39Å; K305-T315 HydrophobicContact CB-CG2 3.58Å; K305-T315 HydrophobicContact CD-CG2 4.48Å
306A92.4Very high91.4Very high34 Ų3464.9 Ų64.928%0.28134%0.344SS..EExtended strand (participates in β ladder)trans-79.3141.6169.600000111.1N311 W312A306-N311 WeakPolarHBondContact CA-O 3.45Å; A306-W312 HydrophobicContact CB-CD2 3.88Å; A306-W312 HydrophobicContact CB-CE3 4.28Å; A306-W312 HydrophobicContact CB-CG 4.25Å; A306-W312 HydrophobicContact CB-CH2 4.27Å; A306-W312 HydrophobicContact CB-CZ2 3.96Å; A306-W312 HydrophobicContact CB-CZ3 4.46Å
307N89.3Confident91.3Very high60 Ų6066.1 Ų66.132%0.32135%0.348SS..  trans-81.7-179.8164.573.62.4000110.9M309 E310 N311N307-M309 PolarHBondContact O-N 3.31Å; N307-M309 VanDerWaalsContact O-N 3.17Å; N307-M309 WeakPolarHBondContact OD1-CA 3.45Å; N307-M309 WeakPolarHBondContact OD1-CB 3.33Å; N307-M309 PolarHBondContact OD1-N 2.87Å; N307-E310 PolarHBondContact O-N 3.12Å; N307-E310 PolarHBondContact OD1-N 2.94Å; N307-N311 PolarHBondContact N-O 3.03Å; N307-N311 WeakPolarHBondContact OD1-CA 3.41Å; N307-N311 WeakPolarHBondContact OD1-CB 3.26Å; N307-N311 PolarHBondContact OD1-N 3.24Å; N307-N311 PolarHBondContact OD1-O 3.06Å
308Y85.1Confident91.2Very high212 Ų21265 Ų6583%0.83134%0.342SS*.THydrogen-bonded Turntrans-64.9-15.9179.169.9-89.6000114.1E310Y308-E310 VanDerWaalsContact C-N 3.33Å
309M87.6Confident90.9Very high115 Ų11567.2 Ų67.257%0.56735%0.349SS*.THydrogen-bonded Turntrans-94.114.6175.3-58.5-177.364.600112.5N307 N311N307-M309 PolarHBondContact O-N 3.31Å; N307-M309 VanDerWaalsContact O-N 3.17Å; N307-M309 WeakPolarHBondContact OD1-CA 3.45Å; N307-M309 WeakPolarHBondContact OD1-CB 3.33Å; N307-M309 PolarHBondContact OD1-N 2.87Å; M309-N311 PolarHBondContact O-N 2.6Å; M309-N311 VanDerWaalsContact O-N 3.15Å
310E84.1Confident90.1Very high87 Ų8768.7 Ų68.741%0.40736%0.364SS..SBendtrans62.712.7-174.9-55-168.4168.400115K249 M270 N307 Y308 W312K249-E310 IonicContact NZ-OE1 3.53Å; K249-E310 IonicContact NZ-OE2 2.7Å; K249-E310 PolarHBondContact NZ-OE2 3.49Å; K249-E310 VanDerWaalsContact NZ-OE2 3.11Å; M270-E310 HydrophobicContact CE-CB 3.94Å; M270-E310 HydrophobicContact CE-CG 4.31Å; N307-E310 PolarHBondContact O-N 3.12Å; N307-E310 PolarHBondContact OD1-N 2.94Å; Y308-E310 VanDerWaalsContact C-N 3.33Å; E310-W312 PolarHBondContact O-N 3.37Å
311N90.1Very high89Confident89 Ų8973.3 Ų73.348%0.47639%0.388SS..  trans-81.2115.9173.9-70.1-31.6000110.3A306 N307 M309A306-N311 WeakPolarHBondContact CA-O 3.45Å; N307-N311 PolarHBondContact N-O 3.03Å; N307-N311 WeakPolarHBondContact OD1-CA 3.41Å; N307-N311 WeakPolarHBondContact OD1-CB 3.26Å; N307-N311 PolarHBondContact OD1-N 3.24Å; N307-N311 PolarHBondContact OD1-O 3.06Å; M309-N311 PolarHBondContact O-N 2.6Å; M309-N311 VanDerWaalsContact O-N 3.15Å
312W94.1Very high87.5Confident25 Ų2571.9 Ų71.910%0.09538%0.384CS..EExtended strand (participates in β ladder)trans-79.6135.1178-69.783.9000111.6I247 A271 F273 W285 L292 W304 A306 E310I247-W312 HydrophobicContact CD1-CD2 3.41Å; I247-W312 VanDerWaalsContact CD1-CD2 3.41Å; I247-W312 HydrophobicContact CD1-CE3 3.43Å; I247-W312 VanDerWaalsContact CD1-CE3 3.43Å; I247-W312 HydrophobicContact CD1-CG 3.98Å; I247-W312 HydrophobicContact CD1-CH2 4.21Å; I247-W312 HydrophobicContact CD1-CZ2 4.13Å; I247-W312 HydrophobicContact CD1-CZ3 3.85Å; I247-W312 HydrophobicContact CG2-CZ2 4.11Å; A271-W312 HydrophobicContact CB-CB 3.77Å; A271-W312 HydrophobicContact CB-CG 3.86Å; F273-W312 HydrophobicContact CE2-CB 3.85Å; F273-W312 HydrophobicContact CZ-CB 3.44Å; F273-W312 VanDerWaalsContact CZ-CB 3.44Å; W285-W312 AromaticContact CH2-CH2 3.36Å; W285-W312 HydrophobicContact CH2-CH2 3.36Å; W285-W312 AromaticContact CH2-CZ2 3.98Å; W285-W312 HydrophobicContact CH2-CZ2 3.98Å; W285-W312 AromaticContact CH2-CZ3 3.94Å; W285-W312 HydrophobicContact CH2-CZ3 3.94Å; W285-W312 AromaticContact CZ3-CH2 3.41Å; W285-W312 HydrophobicContact CZ3-CH2 3.41Å; W285-W312 VanDerWaalsContact CZ3-CH2 3.41Å; W285-W312 HydrophobicContact CZ3-CZ2 4.39Å; W285-W312 AromaticContact CZ3-CZ3 3.87Å; W285-W312 HydrophobicContact CZ3-CZ3 3.87Å; L292-W312 HydrophobicContact CB-CZ3 4.37Å; W304-W312 HydrophobicContact CB-CE3 4.11Å; A306-W312 HydrophobicContact CB-CD2 3.88Å; A306-W312 HydrophobicContact CB-CE3 4.28Å; A306-W312 HydrophobicContact CB-CG 4.25Å; A306-W312 HydrophobicContact CB-CH2 4.27Å; A306-W312 HydrophobicContact CB-CZ2 3.96Å; A306-W312 HydrophobicContact CB-CZ3 4.46Å; E310-W312 PolarHBondContact O-N 3.37Å
313K93.5Very high86.2Confident134 Ų13472.2 Ų72.258%0.58339%0.392SS*.EExtended strand (participates in β ladder)trans-136149.4175.6-65.7-171.5177.8-174.80111.3W304 K305 T315W304-K313 WeakPolarHBondContact CA-O 3.46Å; K305-K313 PolarHBondContact N-O 3.08Å; K305-K313 PolarHBondContact O-N 3.39Å; K313-T315 PolarHBondContact O-N 3.23Å
314C93.3Very high84.8Confident48 Ų4874.4 Ų74.432%0.32441%0.409SS..EExtended strand (participates in β ladder)trans-69.7123.1166.6-168.30000108.9L303 W304L303-C314 CarbonylContact O-C 3.52Å; L303-C314 WeakPolarHBondContact O-CA 3.33Å; W304-C314 HydrophobicContact CE3-CB 3.83Å; W304-C314 HydrophobicContact CH2-CB 4.33Å; W304-C314 HydrophobicContact CZ3-CB 3.67Å
315T92Very high83.4Confident82 Ų8277.7 Ų77.750%0.50343%0.426SS..EExtended strand (participates in β ladder)trans-107.5-18-177.153.70000113.3L303 K305 K313L303-T315 PolarHBondContact O-N 3.21Å; L303-T315 PolarHBondContact O-OG1 3.18Å; L303-T315 VanDerWaalsContact O-OG1 3.08Å; K305-T315 HydrophobicContact CB-CG2 3.58Å; K305-T315 HydrophobicContact CD-CG2 4.48Å; K313-T315 PolarHBondContact O-N 3.23Å
316G89.8Confident81Confident23 Ų2378.9 Ų78.924%0.23744%0.443CS..EExtended strand (participates in β ladder)trans-163.5149.917800000111.2L303L303-G316 PolarHBondContact N-O 3.29Å
317I91.4Very high78.5Confident37 Ų3780.8 Ų80.819%0.1947%0.465CS..EExtended strand (participates in β ladder)trans-130.3126.5173.6-46.8169.9000107.1C300 V301 R302 P324 L325C300-I317 HydrophobicContact CB-CG2 3.81Å; V301-I317 CarbonylContact O-C 3.54Å; V301-I317 WeakPolarHBondContact O-CA 3.35Å; R302-I317 HydrophobicContact CG-CG1 4.32Å; R302-I317 HydrophobicContact CG-CG2 4.14Å; R302-I317 VanDerWaalsContact NH1-CD1 3.33Å; I317-P324 WeakPolarHBondContact O-CA 3.16Å; I317-L325 HydrophobicContact CB-CB 4.22Å; I317-L325 HydrophobicContact CB-CD1 4.1Å; I317-L325 HydrophobicContact CG2-CD1 3.69Å; I317-L325 HydrophobicContact CG2-CG 4.48Å; I317-L325 PolarHBondContact O-N 3.1Å
318L89.1Confident75.8Confident61 Ų6183.2 Ų83.232%0.31949%0.487SS..EExtended strand (participates in β ladder)trans-112.6131.5178.1-54.7170.6000107.8C300 V301 S323C300-L318 CarbonylContact C-O 3.57Å; C300-L318 VanDerWaalsContact CA-O 3.3Å; C300-L318 WeakPolarHBondContact CA-O 3.32Å; V301-L318 HydrophobicContact CB-CB 4.28Å; V301-L318 PolarHBondContact N-O 3.47Å; V301-L318 PolarHBondContact O-N 2.75Å; L318-S323 WeakPolarHBondContact CA-O 3.23Å
319K84.4Confident73.4Confident96 Ų9678.6 Ų78.642%0.41749%0.486SS..EExtended strand (participates in β ladder)trans-82.4171.6171-80.6-179.2167.8172.70111.1D321 G322 S323 L325K319-D321 WeakPolarHBondContact CB-OD1 3.16Å; K319-D321 PolarHBondContact O-N 2.59Å; K319-D321 VanDerWaalsContact O-N 3.1Å; K319-G322 WeakPolarHBondContact O-CA 3.38Å; K319-G322 PolarHBondContact O-N 2.75Å; K319-S323 PolarHBondContact N-O 3.15Å; K319-L325 HydrophobicContact CD-CD2 3.74Å; K319-L325 HydrophobicContact CD-CG 4.18Å; K319-L325 HydrophobicContact CG-CD1 4.21Å; K319-L325 HydrophobicContact CG-CD2 4.21Å; K319-L325 HydrophobicContact CG-CG 4.08Å
320G70.9Confident70.7Confident79 Ų7976.5 Ų76.581%0.81449%0.494SS*.THydrogen-bonded Turntrans-57.4-19.8177.600000115.5G299 G322G299-G320 PolarHBondContact O-N 3.45Å; G299-G320 VanDerWaalsContact O-N 3.15Å; G320-G322 VanDerWaalsContact C-N 3.29Å
321D68.8Low68Low112 Ų11279.8 Ų79.860%0.59951%0.509SS*.THydrogen-bonded Turntrans-85.3-0.617165.6-7.9000113.3K319 S323K319-D321 WeakPolarHBondContact CB-OD1 3.16Å; K319-D321 PolarHBondContact O-N 2.59Å; K319-D321 VanDerWaalsContact O-N 3.1Å; D321-S323 VanDerWaalsContact CG-OG 3.25Å; D321-S323 PolarHBondContact O-N 3.11Å; D321-S323 VanDerWaalsContact OD1-CB 3.29Å; D321-S323 WeakPolarHBondContact OD1-CB 3.48Å; D321-S323 PolarHBondContact OD1-N 3.13Å; D321-S323 PolarHBondContact OD1-OG 3.33Å; D321-S323 PolarHBondContact OD2-OG 2.82Å
322G62.2Low65.1Low25 Ų2581.9 Ų81.926%0.25853%0.528SS..  trans74.56.5-176.400000114.5K319 G320K319-G322 WeakPolarHBondContact O-CA 3.38Å; K319-G322 PolarHBondContact O-N 2.75Å; G320-G322 VanDerWaalsContact C-N 3.29Å
323S66.1Low61.9Low43 Ų4386.7 Ų86.730%0.30156%0.56SS.*  trans-71.8135.5175.367.80000110.7L318 K319 D321L318-S323 WeakPolarHBondContact CA-O 3.23Å; K319-S323 PolarHBondContact N-O 3.15Å; D321-S323 VanDerWaalsContact CG-OG 3.25Å; D321-S323 PolarHBondContact O-N 3.11Å; D321-S323 VanDerWaalsContact OD1-CB 3.29Å; D321-S323 WeakPolarHBondContact OD1-CB 3.48Å; D321-S323 PolarHBondContact OD1-N 3.13Å; D321-S323 PolarHBondContact OD1-OG 3.33Å; D321-S323 PolarHBondContact OD2-OG 2.82Å
324P65.3Low58.8Low89 Ų8984.4 Ų84.458%0.57857%0.566SS**BIsolated β-bridgetrans-71.5134.6172.529.2-32.3000109.7I317 T326I317-P324 WeakPolarHBondContact O-CA 3.16Å; P324-T326 PolarHBondContact O-N 2.64Å
325L66.8Low55.6Low69 Ų6990.9 Ų90.936%0.36159%0.594SS.*  trans-74.9110.2166-73.2173.8000109.3I317 K319 G327I317-L325 HydrophobicContact CB-CB 4.22Å; I317-L325 HydrophobicContact CB-CD1 4.1Å; I317-L325 HydrophobicContact CG2-CD1 3.69Å; I317-L325 HydrophobicContact CG2-CG 4.48Å; I317-L325 PolarHBondContact O-N 3.1Å; K319-L325 HydrophobicContact CD-CD2 3.74Å; K319-L325 HydrophobicContact CD-CG 4.18Å; K319-L325 HydrophobicContact CG-CD1 4.21Å; K319-L325 HydrophobicContact CG-CD2 4.21Å; K319-L325 HydrophobicContact CG-CG 4.08Å; L325-G327 PolarHBondContact O-N 3.21Å
326T45.7Very low52.5Low137 Ų13792.3 Ų92.384%0.8461%0.607SS**  trans-83108.5172.252.10000110.4P324P324-T326 PolarHBondContact O-N 2.64Å
327G39.4Very low49.5Very low73 Ų7397.7 Ų97.775%0.75364%0.636SS**  trans88.7137.9171.200000114.1L325L325-G327 PolarHBondContact O-N 3.21Å
328S32.5Very low46.4Very low111 Ų111102.6 Ų102.678%0.77667%0.667SS**  cis-150.2142.921.251.70000110.5G330S328-G330 PolarHBondContact O-N 2.61Å; S328-G330 VanDerWaalsContact O-N 3.08Å
329S35.3Very low43.3Very low116 Ų116106.7 Ų106.781%0.81169%0.694SS**  trans-64.899154.650.20000107.9Q331S329-Q331 VanDerWaalsContact C-N 3.33Å; S329-Q331 PolarHBondContact O-N 3.16Å
330G29.3Very low40.5Very low71 Ų71105.7 Ų105.773%0.73271%0.712SS**  trans-65.693.4168.900000109.8S328S328-G330 PolarHBondContact O-N 2.61Å; S328-G330 VanDerWaalsContact O-N 3.08Å
331Q28.1Very low38.3Very low156 Ų156107.2 Ų107.273%0.72971%0.71SS**  trans-66134.7151.2-81.1-156.2-25.900108.1S329 T333S329-Q331 VanDerWaalsContact C-N 3.33Å; S329-Q331 PolarHBondContact O-N 3.16Å; Q331-T333 PolarHBondContact O-N 3.31Å; Q331-T333 VanDerWaalsContact O-N 3.14Å
332P29.7Very low36.2Very low132 Ų132107.1 Ų107.186%0.85772%0.717SS**  trans-74103.5166.229.1-27.7000107.6
333T26.3Very low34.5Very low126 Ų126111.9 Ų111.977%0.77374%0.741SS**  trans-93.6126.8164.434.20000109.1Q331Q331-T333 PolarHBondContact O-N 3.31Å; Q331-T333 VanDerWaalsContact O-N 3.14Å
334A28.1Very low32.5Very low87 Ų87117.9 Ų117.972%0.71977%0.765SS**  trans-73.4146.8-179.400000112.4
335M26.8Very low30.6Very low184 Ų184121.7 Ų121.791%0.90678%0.78SS**  trans39.1128.2150.7-64.9-165.7-114.900120.8
336S26.2Very low28.5Very low111 Ų111123.1 Ų123.178%0.77680%0.796SS**  -167.6137.2107.250.60000112.6
337T26.3Very low27.6Very low137 Ų137126 Ų12684%0.8480%0.8SS**  trans-65.3131.7167.343.40000111.3
338V26.8Very low26.9Very low140 Ų140129.6 Ų129.685%0.84880%0.802SS**  trans-138.7120.4154-174.30000109.5
339V25.3Very low26.6Very low146 Ų146132.5 Ų132.589%0.88581%0.807SS**  trans-79.8137.3169.7175.90000108.2
340G25Very low26.2Very low76 Ų76133.4 Ų133.478%0.78480%0.802SS**  trans-179.4110.9173.100000113.3
341S23.9Very low26Very low111 Ų111137.2 Ų137.278%0.77681%0.805SS**  trans-81.9161.2-167.647.70000117.8
342S25.1Very low25.9Very low109 Ų109133.4 Ų133.476%0.76281%0.808SS**  trans88141.3145.886.90000117.2
343V26.7Very low25.6Very low125 Ų125136 Ų13676%0.75881%0.811SS**  cis-149.7156.718.6169.30000109.6
344Q24.5Very low25.7Very low170 Ų170135.7 Ų135.779%0.79481%0.814SS**  trans-42144.9170.9-64.3161.6-43.400116.4
345N25Very low25.5Very low169 Ų169136.6 Ų136.690%0.90482%0.822SS**  -154.3123122.7-118.5-9.3000111.7
346S23.3Very low25.5Very low98 Ų98131.4 Ų131.469%0.68582%0.815SS**  trans-106.3127.8-177.846.70000110
347Q26.8Very low25.5Very low199 Ų199137.7 Ų137.793%0.9382%0.822SS**  trans-141.3112149.5-78.5-166-22.400110
348N24.9Very low25.5Very low147 Ų147139.3 Ų139.379%0.78682%0.823SS**  trans-77.6140.4165.1-84.2-31000109.7
349I26.2Very low25.5Very low173 Ų173136.9 Ų136.989%0.88782%0.818SS**  trans-140.5132.3132.6-67.2-167.6000108.9
350L25.6Very low25.6Very low134 Ų134139.8 Ų139.870%0.70282%0.819SS**  trans-80.1149-176.7-71.7104.6000113.9
351N25.4Very low25.6Very low152 Ų152146.7 Ų146.781%0.81382%0.821SS**  148.7135.8105.1-100.5-18000112.7
352G25.2Very low25.8Very low76 Ų76144.9 Ų144.978%0.78481%0.813SS**  trans160.659.4170.100000113.7
353M25.3Very low25.8Very low185 Ų185146.1 Ų146.191%0.91182%0.819SS**  trans-69.9134.1173.6-67.2169.67400111.2
354S26.7Very low26Very low120 Ų120148.7 Ų148.784%0.83982%0.82SS**  trans-142.3111.9148.861.90000110
355A25.4Very low26.2Very low107 Ų107144.7 Ų144.788%0.88482%0.816SS**  trans-70.5144176.200000111.7
356G25.9Very low27Very low74 Ų74142.4 Ų142.476%0.76381%0.81SS**  trans-160.865.5179.600000113.9
357R26.9Very low27.3Very low244 Ų244143.5 Ų143.592%0.92182%0.815SS**  trans38.6107.2151.2-67-179.8177.4175.9-0.7119A359R357-A359 PolarHBondContact O-N 3.33Å
358I26.8Very low27.4Very low170 Ų170142.5 Ų142.587%0.87282%0.815SS**  trans-61.3115.9152.7-65.7164.2000108.7
359A26.5Very low27.7Very low90 Ų90146.9 Ų146.974%0.74482%0.821SS**  trans-110.9112166.600000109.1R357 R361R357-A359 PolarHBondContact O-N 3.33Å; A359-R361 PolarHBondContact O-N 3.06Å
360K26.5Very low27.9Very low206 Ų206147.4 Ų147.490%0.89682%0.819SS**PPolyproline II helixtrans-57.4121.8166.3-66.8179.4179.7-178.40108.4
361R24.9Very low28.1Very low221 Ų221149.4 Ų149.483%0.83483%0.83SS**PPolyproline II helixtrans-92117.7169.9-106.6-179.1175.3-175.5-1.9109.5A359A359-R361 PolarHBondContact O-N 3.06Å
362A27.4Very low28.3Very low74 Ų74148.2 Ų148.261%0.61283%0.828SS**PPolyproline II helixtrans-73.9156.7166.100000110.4F364A362-F364 PolarHBondContact O-N 2.85Å
363P26.8Very low28.6Very low135 Ų135149.7 Ų149.788%0.87783%0.827SS**PPolyproline II helixtrans-65.6132.3178.526.3-32.4000111
364F30.3Very low29Very low179 Ų179146.8 Ų146.879%0.78582%0.822SS**PPolyproline II helixtrans-82.8121.4-178.8-94-92.2000111.2A362A362-F364 PolarHBondContact O-N 2.85Å
365A28.2Very low29.2Very low86 Ų86150.7 Ų150.771%0.71182%0.824SS**  trans-109.4138.7155.300000108.1
366P41.2Very low29.5Very low120 Ų120153 Ų15378%0.77982%0.82SS**  trans-81156177.331.4-31.3000112.1
367P31Very low29.8Very low122 Ų122157.1 Ų157.179%0.79282%0.824SS**  trans-81139.1-169.631.9-33.4000113R369P367-R369 PolarHBondContact O-N 3.45Å
368L29.3Very low30Very low178 Ų178154.2 Ų154.293%0.93282%0.821SS**  trans-64.8113.7164.6-77.2156.1000109.7
369R30.7Very low30.4Very low239 Ų239151.4 Ų151.490%0.90282%0.816SS**  trans-81117.5162.3-93-174.1175.7-177.8-0.4109.1P367 L371P367-R369 PolarHBondContact O-N 3.45Å; R369-L371 PolarHBondContact O-N 3.35Å
370Q29.7Very low31.1Very low183 Ų183152.3 Ų152.386%0.85582%0.815SS**  trans-62.9119.6164.1-77.4179.3-14.500109.4T372Q370-T372 PolarHBondContact O-N 3.44Å
371L30.6Very low31.5Very low176 Ų176147.3 Ų147.392%0.92181%0.811SS**  trans-75.9111.2165.2-81.5153.3000108R369R369-L371 PolarHBondContact O-N 3.35Å
372T29.6Very low32.3Very low128 Ų128146.5 Ų146.579%0.78581%0.81SS**PPolyproline II helixtrans-79.8124.4164.145.30000108.8Q370Q370-T372 PolarHBondContact O-N 3.44Å
373S31.2Very low32.8Very low107 Ų107157.5 Ų157.575%0.74884%0.838SS**PPolyproline II helixtrans-67.1144.5175.950.20000112
374P32.9Very low33.1Very low124 Ų124158.6 Ų158.681%0.80584%0.836SS**PPolyproline II helixtrans-72.8134.217428.8-30.9000111.2
375K31Very low33.3Very low202 Ų202157.5 Ų157.588%0.87884%0.838SS**PPolyproline II helixtrans-67.6127.5172-75.5-179.2174.9-179.70110.1
376I33.2Very low33.6Very low156 Ų156161.5 Ų161.580%0.885%0.845SS**PPolyproline II helixtrans-75118.5167.2-66167.5000107.6Q378I376-Q378 PolarHBondContact O-N 3.48Å
377N30.2Very low33.1Very low160 Ų160163.9 Ų163.986%0.85685%0.849SS**  trans-81.8108.9167.9-90.7-9.9000108.9
378Q31.6Very low33.3Very low182 Ų182166.6 Ų166.685%0.8585%0.853SS**PPolyproline II helixtrans-83119.5161.2-76179.5-11.300108.6I376I376-Q378 PolarHBondContact O-N 3.48Å
379S35Very low33.5Very low112 Ų112165.8 Ų165.878%0.78385%0.848SS**PPolyproline II helixtrans-80.9133.8165.838.70000110.1
380P41.1Very low33.7Very low109 Ų109160.6 Ų160.671%0.70884%0.844SS**PPolyproline II helixtrans-82.1138.3174.931.5-30.1000111.2
381A36.5Very low34Very low100 Ų100158.8 Ų158.883%0.82684%0.843SS**PPolyproline II helixtrans-70.8140.2167.300000110.4
382Y40.3Very low34.3Very low205 Ų205157.4 Ų157.480%0.80484%0.836SS**  trans-124.1123.3159.5-85.6-83000108.1
383Y39.3Very low34.7Very low304 Ų304160.1 Ų160.1100%1.19284%0.841SS**  trans25.70163-76.7-83.4000120.7

Retrieved 383 of 383 residues in 101.7 ms (Link to these results)

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