A0A087X4Q0_POEFO Loading...

WD repeat domain 75

AlphaFold DB , UniProt , Accession A0A087X4Q0, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 838 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
1M32.9Very low57.3Low243 Ų243103 Ų103100%1.19752%0.522SS*.  0103.70-76.1178.7-167.100105.4
2V27.6Very low58.6Low134 Ų13498.5 Ų98.581%0.81250%0.497SS*.PPolyproline II helixtrans-73.1126.4-174.8-179.40000107.4Q4V2-Q4 PolarHBondContact O-N 2.83Å
3E30Very low59.5Low177 Ų17790.9 Ų90.983%0.82746%0.459SS*.PPolyproline II helixtrans-57117.8174.1-69.4-175.4150.300108.5A5E3-A5 PolarHBondContact O-N 3.45Å
4Q38.9Very low60.2Low174 Ų17484.6 Ų84.681%0.81343%0.428SS*.PPolyproline II helixtrans-61.3126.7174.4-69.8174.8-25.800108.2V2 E6V2-Q4 PolarHBondContact O-N 2.83Å; Q4-E6 PolarHBondContact O-N 3.19Å
5A45.2Very low61.2Low52 Ų5279.7 Ų79.743%0.4341%0.405SS..  trans-63.7106.7171.700000108.6E3 I7 E647E3-A5 PolarHBondContact O-N 3.45Å; A5-I7 PolarHBondContact O-N 3.04Å; A5-I7 VanDerWaalsContact O-N 3.08Å; A5-E647 WeakPolarHBondContact CB-OE1 3.16Å; A5-E647 WeakPolarHBondContact CB-OE2 3.4Å; A5-E647 PolarHBondContact N-OE2 3.39Å
6E64.1Low62.5Low108 Ų10878.7 Ų78.751%0.50540%0.401SS..  trans-65.5108.4-179.2-71178.3154.300110.1Q4 R8 R673Q4-E6 PolarHBondContact O-N 3.19Å; E6-R8 HydrophobicContact CB-CG 4.41Å; E6-R8 PolarHBondContact O-N 3.46Å; E6-R8 IonicContact OE2-CZ 2.89Å; E6-R8 IonicContact OE2-NE 3.55Å; E6-R8 PolarHBondContact OE2-NE 2.85Å; E6-R8 IonicContact OE2-NH2 3.75Å; E6-R8 PolarHBondContact OE2-NH2 3.49Å; E6-R673 IonicContact OE2-NH2 3.03Å
7I75.4Confident63.8Low15 Ų1574.4 Ų74.48%0.07738%0.379CS..  trans-59.9123.6161.3-62.4174.9000107.1A5 F621 L653 F670A5-I7 PolarHBondContact O-N 3.04Å; A5-I7 VanDerWaalsContact O-N 3.08Å; I7-F621 HydrophobicContact CB-CZ 4.28Å; I7-F621 HydrophobicContact CD1-CD2 4.26Å; I7-F621 HydrophobicContact CD1-CE2 3.76Å; I7-F621 HydrophobicContact CD1-CZ 4.03Å; I7-F621 HydrophobicContact CG2-CZ 4.45Å; I7-L653 HydrophobicContact CD1-CD1 4.43Å; I7-L653 HydrophobicContact CG2-CD1 4.37Å; I7-F670 HydrophobicContact CG2-CB 3.82Å; I7-F670 HydrophobicContact CG2-CD1 4Å; I7-F670 HydrophobicContact CG2-CG 4.35Å
8R79.6Confident64.9Low109 Ų10970.5 Ų70.541%0.41136%0.359SS..EExtended strand (participates in β ladder)trans-113.5149.4-178.3-72.1-179.4177.9-170.9-3.8110.8E6 F670 S671E6-R8 HydrophobicContact CB-CG 4.41Å; E6-R8 PolarHBondContact O-N 3.46Å; E6-R8 IonicContact OE2-CZ 2.89Å; E6-R8 IonicContact OE2-NE 3.55Å; E6-R8 PolarHBondContact OE2-NE 2.85Å; E6-R8 IonicContact OE2-NH2 3.75Å; E6-R8 PolarHBondContact OE2-NH2 3.49Å; R8-F670 WeakPolarHBondContact O-CA 2.78Å; R8-S671 PolarHBondContact N-O 3.17Å; R8-S671 PolarHBondContact O-N 3.2Å
9V81.7Confident65.8Low46 Ų4671.4 Ų71.428%0.27936%0.361SS..EExtended strand (participates in β ladder)trans-82.4119.7171.1-177.90000107.3V626 F660 L668 T669 F670V9-V626 HydrophobicContact CG2-CG1 3.86Å; V9-F660 HydrophobicContact CG1-CE1 4.44Å; V9-F660 HydrophobicContact CG1-CZ 3.82Å; V9-L668 HydrophobicContact CG1-CB 4.05Å; V9-L668 HydrophobicContact CG1-CD1 4.2Å; V9-L668 HydrophobicContact CG1-CD2 4.46Å; V9-L668 HydrophobicContact CG1-CG 4.46Å; V9-T669 CarbonylContact C-O 3.49Å; V9-T669 WeakPolarHBondContact CA-O 3.36Å; V9-F670 HydrophobicContact CG2-CD1 4.02Å; V9-F670 HydrophobicContact CG2-CE1 3.66Å; V9-F670 HydrophobicContact CG2-CZ 4.45Å
10V78.6Confident66.9Low28 Ų2869.2 Ų69.217%0.1735%0.348CS..EExtended strand (participates in β ladder)trans-114.6136178.1170.60000109.9Q12 L668 T669 S671 E676V10-Q12 PolarHBondContact O-N 2.94Å; V10-L668 WeakPolarHBondContact O-CA 3.36Å; V10-T669 PolarHBondContact N-O 2.73Å; V10-T669 PolarHBondContact O-N 3.46Å; V10-S671 WeakPolarHBondContact CG2-OG 3.46Å; V10-E676 VanDerWaalsContact CG2-OE1 3.29Å; V10-E676 WeakPolarHBondContact CG2-OE1 3.43Å
11H76.4Confident67.8Low47 Ų4769.4 Ų69.422%0.21835%0.347CS..EExtended strand (participates in β ladder)trans-80.3111.9171.6-178.6-75.1000109.5G13 D666 L668H11-G13 PolarHBondContact CE1-O 3.05Å; H11-G13 PolarHBondContact NE2-O 3.44Å; H11-D666 IonicContact NE2-OD1 3.19Å; H11-L668 HydrophobicContact CB-CD2 3.74Å
12Q72.7Confident70.6Confident49 Ų4958 Ų5823%0.22929%0.292CS..EExtended strand (participates in β ladder)trans-95.5-38178.4-84.6-150-3.600113.3V10 L667 T669V10-Q12 PolarHBondContact O-N 2.94Å; Q12-L667 PolarHBondContact N-O 3.4Å; Q12-T669 HydrophobicContact CG-CG2 3.71Å
13G70.4Confident73.6Confident0 Ų052.3 Ų52.30%026%0.259CS..EExtended strand (participates in β ladder)trans-153174.7-171.800000113.1H11 L667H11-G13 PolarHBondContact CE1-O 3.05Å; H11-G13 PolarHBondContact NE2-O 3.44Å; G13-L667 PolarHBondContact N-O 3.41Å; G13-L667 WeakPolarHBondContact O-CB 3.34Å; G13-L667 PolarHBondContact O-N 2.83Å
14G69.4Low76.6Confident2 Ų244.2 Ų44.22%0.02122%0.221CC..  trans90.9-4.8-178.400000114.7N16 K334G14-N16 PolarHBondContact O-N 2.97Å; G14-K334 WeakPolarHBondContact O-CE 3.11Å; G14-K334 PolarHBondContact O-NZ 2.94Å
15S75.5Confident79Confident12 Ų1236 Ų368%0.08418%0.182CC..  trans-67.6132.9168.946.10000110.2I17 S35S15-I17 PolarHBondContact O-N 3.35Å; S15-S35 VanDerWaalsContact CB-OG 3.26Å; S15-S35 WeakPolarHBondContact CB-OG 3.2Å; S15-S35 PolarHBondContact OG-OG 3.25Å
16N81Confident81Confident63 Ų6335.8 Ų35.834%0.33718%0.178SC..  trans-73.4115.9-179.4-169.7-13.5000109.6G14 T18 F19 N314G14-N16 PolarHBondContact O-N 2.97Å; N16-T18 PolarHBondContact OD1-N 3.45Å; N16-T18 PolarHBondContact OD1-OG1 3.33Å; N16-F19 HydrophobicContact CB-CB 4.41Å; N16-F19 PolarHBondContact OD1-N 3.03Å; N16-N314 PolarHBondContact OD1-OD1 2.8Å
17I85.3Confident81.9Confident6 Ų634 Ų343%0.03117%0.172CC..SBendtrans-81.9-17.9176.657.2161.6000112.3S15 C33 F42 N314 I316 I329S15-I17 PolarHBondContact O-N 3.35Å; I17-C33 HydrophobicContact CB-CB 4.33Å; I17-F42 HydrophobicContact CG2-CE2 4.49Å; I17-F42 HydrophobicContact CG2-CZ 4.45Å; I17-N314 WeakPolarHBondContact CG1-OD1 3.29Å; I17-N314 PolarHBondContact N-OD1 2.97Å; I17-I316 HydrophobicContact CD1-CD1 3.83Å; I17-I316 HydrophobicContact CD1-CG1 4.02Å; I17-I316 HydrophobicContact CG1-CD1 4.31Å; I17-I329 HydrophobicContact CD1-CG2 4.11Å
18T82.7Confident82.5Confident4 Ų433.9 Ų33.93%0.02517%0.172CC..SBendtrans-99.58.1-178.366.40000113.8N16 R20 H297 H311 K315 I316N16-T18 PolarHBondContact OD1-N 3.45Å; N16-T18 PolarHBondContact OD1-OG1 3.33Å; T18-R20 PolarHBondContact O-N 2.99Å; T18-H297 PolarHBondContact O-CD2 3.23Å; T18-H311 VanDerWaalsContact CB-O 3.27Å; T18-H311 WeakPolarHBondContact CB-O 3.49Å; T18-H311 WeakPolarHBondContact CG2-O 3.45Å; T18-H311 PolarHBondContact OG1-O 3.39Å; T18-K315 WeakPolarHBondContact CG2-O 3.13Å; T18-I316 HydrophobicContact CG2-CD1 4.45Å; T18-I316 HydrophobicContact CG2-CG1 3.77Å
19F82.8Confident82.9Confident88 Ų8836.3 Ų36.339%0.38618%0.181SC..SBendtrans-57.4-36.4179.5177-118000112.1N16 L59 H297N16-F19 HydrophobicContact CB-CB 4.41Å; N16-F19 PolarHBondContact OD1-N 3.03Å; F19-L59 HydrophobicContact CE1-CD2 3.88Å; F19-L59 HydrophobicContact CE1-CG 4.42Å; F19-L59 HydrophobicContact CZ-CD2 4.14Å; F19-H297 PolarHBondContact O-NE2 3.17Å
20R86.9Confident83.4Confident27 Ų2736 Ų3610%0.10218%0.177CC..SBendtrans-129.2165.7179.9-66-63.2-179.7124-3.8111.9T18 T61 C103 P161T18-R20 PolarHBondContact O-N 2.99Å; R20-T61 WeakPolarHBondContact CD-O 3.31Å; R20-T61 WeakPolarHBondContact CG-O 3.46Å; R20-T61 PolarHBondContact NE-O 2.91Å; R20-T61 PolarHBondContact NH1-O 2.73Å; R20-C103 PolarHBondContact NH1-O 3.21Å; R20-C103 PolarHBondContact NH2-O 3.28Å; R20-P161 VanDerWaalsContact NH1-CG 3.33Å
21E86.6Confident84Confident74 Ų7434.7 Ų34.735%0.34617%0.168SC..PPolyproline II helixtrans-59.5129.617365.3-174.8170.800110H297E21-H297 HydrophobicContact CB-CB 4.22Å
22P91.8Very high84.8Confident4 Ų432.5 Ų32.53%0.02616%0.158CC..PPolyproline II helixtrans-81.2149.7175.633.3-34.9000110.3L31 L32 A299 C308 S310P22-L31 HydrophobicContact CB-CD1 3.83Å; P22-L31 HydrophobicContact CB-CG 4.26Å; P22-L31 HydrophobicContact CG-CD1 4.26Å; P22-L32 WeakPolarHBondContact CA-O 3.49Å; P22-A299 HydrophobicContact CG-CB 4.39Å; P22-A299 WeakPolarHBondContact O-CB 3.25Å; P22-C308 WeakPolarHBondContact CG-SG 3.35Å; P22-S310 WeakPolarHBondContact CD-OG 3.32Å
23A90.9Very high85.7Confident14 Ų1430.2 Ų30.212%0.11615%0.148CC..EExtended strand (participates in β ladder)trans-103130.517700000110.4L32 V63 L65A23-L32 HydrophobicContact CB-CB 4.34Å; A23-L32 PolarHBondContact N-O 3.47Å; A23-L32 PolarHBondContact O-N 3.07Å; A23-V63 HydrophobicContact CB-CG1 4.49Å; A23-L65 HydrophobicContact CB-CG 4.35Å
24I91.8Very high86.5Confident7 Ų730.5 Ų30.54%0.03615%0.15CC..EExtended strand (participates in β ladder)trans-101.2130.7178.7-54.3169000108.8L31 L65 C308I24-L31 HydrophobicContact CG1-CD1 3.67Å; I24-L65 WeakPolarHBondContact O-CD1 3.32Å; I24-C308 HydrophobicContact CD1-CB 3.64Å; I24-C308 HydrophobicContact CG1-CB 4.24Å
25S91.3Very high87.3Confident0 Ų030.5 Ų30.50%015%0.15CC..PPolyproline II helixtrans-56154.3175.864.20000112.2D27 S28 R29 F30S25-D27 WeakPolarHBondContact CB-OD1 3.36Å; S25-D27 PolarHBondContact O-N 3.35Å; S25-D27 PolarHBondContact OG-OD1 2.93Å; S25-S28 PolarHBondContact O-N 3.2Å; S25-S28 PolarHBondContact OG-N 3.4Å; S25-R29 PolarHBondContact OG-N 3.39Å; S25-F30 PolarHBondContact N-O 3.44Å; S25-F30 PolarHBondContact OG-N 3.01Å; S25-F30 PolarHBondContact OG-O 2.94Å
26S85.6Confident87.7Confident48 Ų4830.9 Ų30.934%0.33616%0.155SC..THydrogen-bonded Turntrans-63.6-24-178.863.40000113.7H70S26-H70 WeakPolarHBondContact OG-CB 3.16Å
27D84.6Confident87.8Confident71 Ų7131.3 Ų31.338%0.3816%0.155SC..THydrogen-bonded Turntrans-91.23.3176.169.1-17.5000113.1S25 R29S25-D27 WeakPolarHBondContact CB-OD1 3.36Å; S25-D27 PolarHBondContact O-N 3.35Å; S25-D27 PolarHBondContact OG-OD1 2.93Å; D27-R29 HydrophobicContact CB-CG 4.39Å; D27-R29 PolarHBondContact O-N 3.49Å; D27-R29 VanDerWaalsContact O-N 3.09Å; D27-R29 PolarHBondContact OD1-N 2.99Å; D27-R29 VanDerWaalsContact OD2-CD 3.28Å; D27-R29 WeakPolarHBondContact OD2-CD 3.42Å; D27-R29 WeakPolarHBondContact OD2-CG 3.38Å; D27-R29 IonicContact OD2-NE 2.65Å
28S87.4Confident87.9Confident12 Ų1231.2 Ų31.28%0.08416%0.155CC..SBendtrans60.316.4179-67.10000114.9S25 T44 S301 D303 L306S25-S28 PolarHBondContact O-N 3.2Å; S25-S28 PolarHBondContact OG-N 3.4Å; S28-T44 WeakPolarHBondContact O-CB 3.46Å; S28-T44 WeakPolarHBondContact O-CG2 3.43Å; S28-T44 PolarHBondContact O-OG1 2.86Å; S28-S301 VanDerWaalsContact OG-CB 3.26Å; S28-S301 WeakPolarHBondContact OG-CB 3.37Å; S28-D303 PolarHBondContact OG-OD1 3.38Å; S28-D303 PolarHBondContact OG-OD2 2.73Å; S28-L306 WeakPolarHBondContact O-CD1 3.33Å
29R87.8Confident88.2Confident160 Ų16031.1 Ų31.160%0.60415%0.154SC*.SBendtrans-92.6-29.9-179.3-65.3-171.5-176.7-177.1-1.6114S25 D27 S43 T44S25-R29 PolarHBondContact OG-N 3.39Å; D27-R29 HydrophobicContact CB-CG 4.39Å; D27-R29 PolarHBondContact O-N 3.49Å; D27-R29 VanDerWaalsContact O-N 3.09Å; D27-R29 PolarHBondContact OD1-N 2.99Å; D27-R29 VanDerWaalsContact OD2-CD 3.28Å; D27-R29 WeakPolarHBondContact OD2-CD 3.42Å; D27-R29 WeakPolarHBondContact OD2-CG 3.38Å; D27-R29 IonicContact OD2-NE 2.65Å; R29-S43 WeakPolarHBondContact O-CA 3.39Å; R29-T44 WeakPolarHBondContact CA-OG1 3.27Å; R29-T44 PolarHBondContact O-N 3.39Å; R29-T44 PolarHBondContact O-OG1 3.15Å
30F91.2Very high88.5Confident41 Ų4127.3 Ų27.318%0.1814%0.137CC..EExtended strand (participates in β ladder)trans-120.8142.2-175.3-60-74000111.5S25 V41 F42 V50 F87S25-F30 PolarHBondContact N-O 3.44Å; S25-F30 PolarHBondContact OG-N 3.01Å; S25-F30 PolarHBondContact OG-O 2.94Å; F30-V41 HydrophobicContact CB-CG1 4.12Å; F30-V41 HydrophobicContact CD1-CG1 3.98Å; F30-V41 HydrophobicContact CG-CG1 4.34Å; F30-F42 CarbonylContact C-O 3.5Å; F30-F42 VanDerWaalsContact CA-O 3.3Å; F30-F42 WeakPolarHBondContact CA-O 3.3Å; F30-V50 HydrophobicContact CE1-CG2 4.43Å; F30-F87 HydrophobicContact CB-CE2 4.31Å; F30-F87 AromaticContact CD2-CE2 3.89Å; F30-F87 HydrophobicContact CD2-CE2 3.89Å; F30-F87 HydrophobicContact CG-CE2 4.29Å
31L92.4Very high88.8Confident0 Ų026.1 Ų26.10%013%0.133CC..EExtended strand (participates in β ladder)trans-119.2122174.5-177.778.3000108.8P22 I24 V41 F42 T44 C308 I316 L318 I329P22-L31 HydrophobicContact CB-CD1 3.83Å; P22-L31 HydrophobicContact CB-CG 4.26Å; P22-L31 HydrophobicContact CG-CD1 4.26Å; I24-L31 HydrophobicContact CG1-CD1 3.67Å; L31-V41 CarbonylContact O-C 3.47Å; L31-V41 WeakPolarHBondContact O-CA 3.4Å; L31-F42 HydrophobicContact CB-CB 4.31Å; L31-F42 PolarHBondContact N-O 3.28Å; L31-F42 PolarHBondContact O-N 3.2Å; L31-T44 HydrophobicContact CB-CG2 4.37Å; L31-C308 HydrophobicContact CD1-CB 4.44Å; L31-I316 HydrophobicContact CD2-CD1 4.09Å; L31-I316 HydrophobicContact CD2-CG2 3.88Å; L31-L318 HydrophobicContact CD1-CD2 4.45Å; L31-I329 HydrophobicContact CD2-CD1 3.76Å
32L92.6Very high88.9Confident1 Ų123 Ų231%0.00512%0.118CC..EExtended strand (participates in β ladder)trans-100.1122.3178.1-55.4171000109.7P22 A23 V39 V41 V63 L65 A73 F87P22-L32 WeakPolarHBondContact CA-O 3.49Å; A23-L32 HydrophobicContact CB-CB 4.34Å; A23-L32 PolarHBondContact N-O 3.47Å; A23-L32 PolarHBondContact O-N 3.07Å; L32-V39 HydrophobicContact CB-CG1 4.43Å; L32-V41 HydrophobicContact CD2-CB 3.97Å; L32-V41 HydrophobicContact CD2-CG1 3.71Å; L32-V41 HydrophobicContact CD2-CG2 3.43Å; L32-V41 VanDerWaalsContact CD2-CG2 3.43Å; L32-V63 HydrophobicContact CB-CG1 3.76Å; L32-V63 HydrophobicContact CD1-CG1 4.16Å; L32-L65 HydrophobicContact CD1-CD2 3.61Å; L32-L65 HydrophobicContact CD1-CG 4.36Å; L32-A73 HydrophobicContact CD1-CB 3.63Å; L32-F87 HydrophobicContact CD1-CD1 4.31Å; L32-F87 HydrophobicContact CD1-CG 4.45Å; L32-F87 HydrophobicContact CD2-CB 3.89Å; L32-F87 HydrophobicContact CD2-CD2 4.47Å; L32-F87 HydrophobicContact CD2-CG 4.17Å
33C91.3Very high88.8Confident1 Ų123.6 Ų23.61%0.00712%0.122CC..EExtended strand (participates in β ladder)trans-124.3132.5-179.2-57.80000110.9I17 S35 V39 K40 F42 I316I17-C33 HydrophobicContact CB-CB 4.33Å; C33-S35 PolarHBondContact O-N 3.14Å; C33-V39 CarbonylContact O-C 3.55Å; C33-V39 WeakPolarHBondContact O-CA 3.49Å; C33-K40 PolarHBondContact N-O 2.8Å; C33-K40 PolarHBondContact O-N 2.66Å; C33-F42 HydrophobicContact CB-CD2 4.4Å; C33-F42 HydrophobicContact CB-CE2 4.06Å; C33-I316 WeakPolarHBondContact SG-CD1 3.4Å
34A88.7Confident88.6Confident6 Ų623.4 Ų23.45%0.0512%0.12CC..EExtended strand (participates in β ladder)trans-70.9127168.800000109.6V60 V63A34-V60 HydrophobicContact CB-CB 4.21Å; A34-V60 HydrophobicContact CB-CG1 3.84Å; A34-V63 HydrophobicContact CB-CG2 4.03Å
35S85Confident88.3Confident2 Ų228.8 Ų28.81%0.01415%0.153CC..EExtended strand (participates in β ladder)trans-137.189.1-176-162.70000110.4S15 C33 H37 N38S15-S35 VanDerWaalsContact CB-OG 3.26Å; S15-S35 WeakPolarHBondContact CB-OG 3.2Å; S15-S35 PolarHBondContact OG-OG 3.25Å; C33-S35 PolarHBondContact O-N 3.14Å; S35-H37 PolarHBondContact O-N 3.14Å; S35-N38 CarbonylContact C-O 3.56Å; S35-N38 WeakPolarHBondContact CA-O 3.47Å; S35-N38 PolarHBondContact N-O 2.65Å; S35-N38 PolarHBondContact O-N 3.45Å; S35-N38 VanDerWaalsContact O-N 3.07Å; S35-N38 VanDerWaalsContact O-O 3.11Å
36G83.3Confident87.9Confident19 Ų1931 Ų3120%0.19617%0.166CC..THydrogen-bonded Turntrans61.6-118.9-17700000111.1L59 V60G36-L59 CarbonylContact O-C 3.48Å; G36-L59 WeakPolarHBondContact O-CA 3.42Å; G36-V60 PolarHBondContact O-N 3.23Å
37H83.7Confident87.8Confident73 Ų7330.4 Ų30.434%0.33816%0.159SC..THydrogen-bonded Turntrans-86.2-7179.358.5-78.1000113.8S35 H56S35-H37 PolarHBondContact O-N 3.14Å; H37-H56 WeakPolarHBondContact O-CB 3.32Å
38N87.5Confident87.7Confident4 Ų429.8 Ų29.82%0.02115%0.153CC..EExtended strand (participates in β ladder)trans-119.4165.1-176.2-61-28.3000111.5S35 E52 R54S35-N38 CarbonylContact C-O 3.56Å; S35-N38 WeakPolarHBondContact CA-O 3.47Å; S35-N38 PolarHBondContact N-O 2.65Å; S35-N38 PolarHBondContact O-N 3.45Å; S35-N38 VanDerWaalsContact O-N 3.07Å; S35-N38 VanDerWaalsContact O-O 3.11Å; N38-E52 HydrophobicContact CB-CG 3.81Å; N38-E52 PolarHBondContact ND2-OE1 3.35Å; N38-R54 WeakPolarHBondContact OD1-CA 3.36Å
39V90.2Very high87.7Confident2 Ų230.9 Ų30.91%0.01216%0.161CC..EExtended strand (participates in β ladder)trans-109.7124.6166.4178.20000108.4L32 C33 L53 V60 V63L32-V39 HydrophobicContact CB-CG1 4.43Å; C33-V39 CarbonylContact O-C 3.55Å; C33-V39 WeakPolarHBondContact O-CA 3.49Å; V39-L53 HydrophobicContact CB-CB 4.09Å; V39-L53 HydrophobicContact CB-CD1 4.08Å; V39-L53 HydrophobicContact CB-CG 4.38Å; V39-L53 HydrophobicContact CG1-CD1 4.1Å; V39-L53 PolarHBondContact N-O 3.47Å; V39-L53 PolarHBondContact O-N 2.7Å; V39-V60 HydrophobicContact CG2-CG1 3.86Å; V39-V60 HydrophobicContact CG2-CG2 4.39Å; V39-V63 HydrophobicContact CB-CG2 4.37Å; V39-V63 HydrophobicContact CG1-CG1 4.19Å; V39-V63 HydrophobicContact CG1-CG2 3.85Å; V39-V63 HydrophobicContact CG2-CG2 3.57Å
40K89.3Confident87.5Confident8 Ų824.5 Ų24.54%0.03514%0.139CC..EExtended strand (participates in β ladder)trans-96.4134.7176.5-70.6-176.2175.8177.50109.9C33 F42 E52 D368C33-K40 PolarHBondContact N-O 2.8Å; C33-K40 PolarHBondContact O-N 2.66Å; K40-F42 HydrophobicContact CB-CD2 4.36Å; K40-F42 HydrophobicContact CB-CE2 3.63Å; K40-F42 HydrophobicContact CB-CZ 3.9Å; K40-F42 HydrophobicContact CD-CZ 4.1Å; K40-E52 HydrophobicContact CG-CG 4.38Å; K40-D368 IonicContact NZ-OD2 3.72Å; K40-D368 PolarHBondContact NZ-OD2 3.34Å
41V91.4Very high87.1Confident1 Ų123.5 Ų23.51%0.00614%0.135CC..EExtended strand (participates in β ladder)trans-108.2113.2177.3-171.70000107.9F30 L31 L32 V50 Q51 L53 F87F30-V41 HydrophobicContact CB-CG1 4.12Å; F30-V41 HydrophobicContact CD1-CG1 3.98Å; F30-V41 HydrophobicContact CG-CG1 4.34Å; L31-V41 CarbonylContact O-C 3.47Å; L31-V41 WeakPolarHBondContact O-CA 3.4Å; L32-V41 HydrophobicContact CD2-CB 3.97Å; L32-V41 HydrophobicContact CD2-CG1 3.71Å; L32-V41 HydrophobicContact CD2-CG2 3.43Å; L32-V41 VanDerWaalsContact CD2-CG2 3.43Å; V41-V50 PolarHBondContact O-N 3.38Å; V41-Q51 HydrophobicContact CB-CB 4Å; V41-Q51 HydrophobicContact CG2-CB 3.92Å; V41-Q51 PolarHBondContact N-O 3.48Å; V41-Q51 PolarHBondContact O-N 3.48Å; V41-L53 HydrophobicContact CG2-CD1 4.24Å; V41-L53 HydrophobicContact CG2-CG 4.18Å; V41-F87 HydrophobicContact CG2-CB 4.43Å
42F90.4Very high86.7Confident8 Ų826 Ų264%0.03515%0.147CC..EExtended strand (participates in β ladder)trans-102.4146178.2-62.4-84000111I17 F30 L31 C33 K40 E48 C49 I329I17-F42 HydrophobicContact CG2-CE2 4.49Å; I17-F42 HydrophobicContact CG2-CZ 4.45Å; F30-F42 CarbonylContact C-O 3.5Å; F30-F42 VanDerWaalsContact CA-O 3.3Å; F30-F42 WeakPolarHBondContact CA-O 3.3Å; L31-F42 HydrophobicContact CB-CB 4.31Å; L31-F42 PolarHBondContact N-O 3.28Å; L31-F42 PolarHBondContact O-N 3.2Å; C33-F42 HydrophobicContact CB-CD2 4.4Å; C33-F42 HydrophobicContact CB-CE2 4.06Å; K40-F42 HydrophobicContact CB-CD2 4.36Å; K40-F42 HydrophobicContact CB-CE2 3.63Å; K40-F42 HydrophobicContact CB-CZ 3.9Å; K40-F42 HydrophobicContact CD-CZ 4.1Å; F42-E48 WeakPolarHBondContact CA-O 3.38Å; F42-C49 HydrophobicContact CD1-CB 3.98Å; F42-C49 HydrophobicContact CE1-CB 3.75Å; F42-I329 HydrophobicContact CB-CD1 3.66Å; F42-I329 HydrophobicContact CD1-CD1 4.44Å; F42-I329 HydrophobicContact CD1-CG2 3.84Å; F42-I329 HydrophobicContact CD2-CG2 4.4Å; F42-I329 HydrophobicContact CE1-CG2 3.81Å; F42-I329 HydrophobicContact CE2-CG2 4.37Å; F42-I329 HydrophobicContact CG-CD1 4.01Å; F42-I329 HydrophobicContact CG-CG2 4.15Å; F42-I329 HydrophobicContact CZ-CG2 4.08Å
43S89.4Confident86.4Confident17 Ų1726 Ų2612%0.11915%0.147CC..EExtended strand (participates in β ladder)trans-80.7131.7165.8171.20000109.8R29 V45 T46 E47 E48R29-S43 WeakPolarHBondContact O-CA 3.39Å; S43-V45 PolarHBondContact O-N 2.84Å; S43-V45 PolarHBondContact OG-N 3.43Å; S43-T46 WeakPolarHBondContact CB-OG1 3.33Å; S43-T46 PolarHBondContact OG-N 3.2Å; S43-T46 PolarHBondContact OG-OG1 3Å; S43-E47 WeakPolarHBondContact O-CA 3.49Å; S43-E47 PolarHBondContact O-N 2.68Å; S43-E47 VanDerWaalsContact O-N 3.08Å; S43-E48 PolarHBondContact N-O 3.44Å
44T86.9Confident86.1Confident10 Ų1031.1 Ų31.16%0.06117%0.166CC..THydrogen-bonded Turntrans-70.9-21.1179.158.40000112.9S28 R29 L31 L306 L318 S327S28-T44 WeakPolarHBondContact O-CB 3.46Å; S28-T44 WeakPolarHBondContact O-CG2 3.43Å; S28-T44 PolarHBondContact O-OG1 2.86Å; R29-T44 WeakPolarHBondContact CA-OG1 3.27Å; R29-T44 PolarHBondContact O-N 3.39Å; R29-T44 PolarHBondContact O-OG1 3.15Å; L31-T44 HydrophobicContact CB-CG2 4.37Å; T44-L306 HydrophobicContact CG2-CD1 4.4Å; T44-L318 HydrophobicContact CG2-CD1 3.79Å; T44-S327 PolarHBondContact O-OG 3.3Å
45V85.3Confident85.6Confident120 Ų12032.4 Ų32.473%0.72718%0.18SC*.THydrogen-bonded Turntrans-92.4-46.5-177.3-178.40000111.8S43S43-V45 PolarHBondContact O-N 2.84Å; S43-V45 PolarHBondContact OG-N 3.43Å
46T82.2Confident85.6Confident46 Ų4632.8 Ų32.828%0.28218%0.182SC..THydrogen-bonded Turntrans-91.4-16.5-175.5630000113.2S43 E48S43-T46 WeakPolarHBondContact CB-OG1 3.33Å; S43-T46 PolarHBondContact OG-N 3.2Å; S43-T46 PolarHBondContact OG-OG1 3Å; T46-E48 PolarHBondContact O-N 3.01Å; T46-E48 PolarHBondContact OG1-N 3.35Å
47E83.6Confident85.6Confident37 Ų3736.2 Ų36.217%0.17321%0.208CC..  trans64.710.7-174.6-49.8175.2162.100113.6S43 S327 I328 I329 R369S43-E47 WeakPolarHBondContact O-CA 3.49Å; S43-E47 PolarHBondContact O-N 2.68Å; S43-E47 VanDerWaalsContact O-N 3.08Å; E47-S327 WeakPolarHBondContact OE1-CA 3.48Å; E47-S327 WeakPolarHBondContact OE1-CB 3.1Å; E47-I328 PolarHBondContact OE1-N 3.37Å; E47-I329 HydrophobicContact CB-CG1 4.17Å; E47-R369 IonicContact OE2-CZ 3.26Å; E47-R369 VanDerWaalsContact OE2-CZ 3.26Å; E47-R369 IonicContact OE2-NE 3.22Å; E47-R369 IonicContact OE2-NH1 3.25Å; E47-R369 IonicContact OE2-NH2 2.72Å; E47-R369 PolarHBondContact OE2-NH2 3.27Å
48E83.4Confident85.5Confident57 Ų5736.5 Ų36.527%0.26621%0.212SC..  trans-92147.9-178.9-60.7-166.7154.300111.4F42 S43 T46 V50F42-E48 WeakPolarHBondContact CA-O 3.38Å; S43-E48 PolarHBondContact N-O 3.44Å; T46-E48 PolarHBondContact O-N 3.01Å; T46-E48 PolarHBondContact OG1-N 3.35Å; E48-V50 PolarHBondContact O-N 2.79Å
49C85.4Confident85.4Confident36 Ų3639.5 Ų39.524%0.24323%0.228CC..EExtended strand (participates in β ladder)trans-74110170.7-171.30000108.5F42F42-C49 HydrophobicContact CD1-CB 3.98Å; F42-C49 HydrophobicContact CE1-CB 3.75Å
50V84.4Confident85.4Confident25 Ų2539.4 Ų39.415%0.15223%0.227CC..EExtended strand (participates in β ladder)trans-83.2-44.5-177.6-175.20000110.3F30 V41 E48 V687F30-V50 HydrophobicContact CE1-CG2 4.43Å; V41-V50 PolarHBondContact O-N 3.38Å; E48-V50 PolarHBondContact O-N 2.79Å; V50-V687 HydrophobicContact CG1-CG2 3.47Å; V50-V687 VanDerWaalsContact CG1-CG2 3.47Å
51Q82.7Confident85.2Confident21 Ų2139.4 Ų39.410%0.09823%0.228CC..EExtended strand (participates in β ladder)trans-139.5148.9-177.4-69.1-63.1-14.700112.5V41 V687V41-Q51 HydrophobicContact CB-CB 4Å; V41-Q51 HydrophobicContact CG2-CB 3.92Å; V41-Q51 PolarHBondContact N-O 3.48Å; V41-Q51 PolarHBondContact O-N 3.48Å; Q51-V687 HydrophobicContact CG-CG2 4.49Å
52E84.6Confident85Confident51 Ų5139.7 Ų39.724%0.23823%0.232CC..EExtended strand (participates in β ladder)trans-120.7110.1169.3-170177.4-155.200109.6N38 K40 R54N38-E52 HydrophobicContact CB-CG 3.81Å; N38-E52 PolarHBondContact ND2-OE1 3.35Å; K40-E52 HydrophobicContact CG-CG 4.38Å; E52-R54 HydrophobicContact CG-CG 3.99Å; E52-R54 PolarHBondContact O-N 3.44Å; E52-R54 VanDerWaalsContact O-N 3.14Å; E52-R54 IonicContact OE2-CZ 2.6Å; E52-R54 IonicContact OE2-NE 3.61Å; E52-R54 PolarHBondContact OE2-NE 3.35Å; E52-R54 IonicContact OE2-NH2 2.64Å; E52-R54 PolarHBondContact OE2-NH2 3.1Å
53L86.6Confident85Confident3 Ų339.7 Ų39.72%0.01623%0.232CC..EExtended strand (participates in β ladder)trans-81.295.1179.3-50.8177.9000108.9V39 V41 W85V39-L53 HydrophobicContact CB-CB 4.09Å; V39-L53 HydrophobicContact CB-CD1 4.08Å; V39-L53 HydrophobicContact CB-CG 4.38Å; V39-L53 HydrophobicContact CG1-CD1 4.1Å; V39-L53 PolarHBondContact N-O 3.47Å; V39-L53 PolarHBondContact O-N 2.7Å; V41-L53 HydrophobicContact CG2-CD1 4.24Å; V41-L53 HydrophobicContact CG2-CG 4.18Å; L53-W85 HydrophobicContact CB-CD2 4.08Å; L53-W85 HydrophobicContact CB-CE3 4.07Å; L53-W85 HydrophobicContact CB-CH2 4.34Å; L53-W85 HydrophobicContact CB-CZ2 4.34Å; L53-W85 HydrophobicContact CB-CZ3 4.19Å; L53-W85 HydrophobicContact CD1-CB 3.93Å; L53-W85 HydrophobicContact CD1-CD2 4.09Å; L53-W85 HydrophobicContact CD1-CG 3.81Å; L53-W85 HydrophobicContact CD2-CD2 4.43Å; L53-W85 HydrophobicContact CD2-CE3 4.03Å; L53-W85 HydrophobicContact CG-CD2 4.43Å; L53-W85 HydrophobicContact CG-CE3 4.43Å
54R83.9Confident85.1Confident107 Ų10740.7 Ų40.740%0.40424%0.236SC..  trans-93.1133.5-178.9-61.1-172.1178.4178.2-0.3111.6N38 E52 W85N38-R54 WeakPolarHBondContact OD1-CA 3.36Å; E52-R54 HydrophobicContact CG-CG 3.99Å; E52-R54 PolarHBondContact O-N 3.44Å; E52-R54 VanDerWaalsContact O-N 3.14Å; E52-R54 IonicContact OE2-CZ 2.6Å; E52-R54 IonicContact OE2-NE 3.61Å; E52-R54 PolarHBondContact OE2-NE 3.35Å; E52-R54 IonicContact OE2-NH2 2.64Å; E52-R54 PolarHBondContact OE2-NH2 3.1Å; R54-W85 WeakPolarHBondContact O-CH2 3.32Å
55G79.1Confident85.2Confident34 Ų3441.6 Ų41.635%0.35124%0.24SC..  trans162.1-16.716100000116.3R83G55-R83 PolarHBondContact O-NH1 3.02Å; G55-R83 PolarHBondContact O-NH2 2.91Å
56H84.4Confident85.3Confident10 Ų1037.8 Ų37.85%0.04621%0.213CC..  trans-62.3145.9171.2-77.5-71.1000110.7H37 V60 S75 S77 D79 T81H37-H56 WeakPolarHBondContact O-CB 3.32Å; H56-V60 HydrophobicContact CB-CG2 4.2Å; H56-S75 PolarHBondContact NE2-OG 2.93Å; H56-S77 WeakPolarHBondContact ND1-CB 3.47Å; H56-D79 IonicContact CG-OD2 3.56Å; H56-D79 IonicContact ND1-OD1 3.04Å; H56-D79 IonicContact ND1-OD2 3.74Å; H56-D79 PolarHBondContact ND1-OD2 3.02Å; H56-T81 PolarHBondContact CE1-OG1 3.18Å; H56-T81 VanDerWaalsContact CE1-OG1 3.28Å; H56-T81 PolarHBondContact ND1-OG1 3.44Å; H56-T81 VanDerWaalsContact ND1-OG1 3.15Å
57A82.6Confident85.3Confident91 Ų9138.9 Ų38.975%0.75222%0.221SC*.SBendtrans-86-21.9-179.200000112.4D79A57-D79 HydrophobicContact CB-CB 4.25Å; A57-D79 PolarHBondContact N-OD2 3.49Å; A57-D79 VanDerWaalsContact N-OD2 3.13Å
58D83Confident85.2Confident78 Ų7840.6 Ų40.642%0.41724%0.237SC..SBendtrans-138.5177.7-175.7-159.6-0.6000110.9V60 S77 A78 D79D58-V60 PolarHBondContact O-N 3.14Å; D58-S77 VanDerWaalsContact C-OG 3.25Å; D58-S77 PolarHBondContact O-OG 2.81Å; D58-A78 HydrophobicContact CB-CB 4.37Å; D58-D79 HydrophobicContact CB-CB 3.99Å
59L85.4Confident85.3Confident67 Ų6740.3 Ų40.335%0.35124%0.237SC..  trans-48.6124.7-176.9-177.367.7000112.7F19 G36 T61 S77 A78F19-L59 HydrophobicContact CE1-CD2 3.88Å; F19-L59 HydrophobicContact CE1-CG 4.42Å; F19-L59 HydrophobicContact CZ-CD2 4.14Å; G36-L59 CarbonylContact O-C 3.48Å; G36-L59 WeakPolarHBondContact O-CA 3.42Å; L59-T61 PolarHBondContact O-N 3.37Å; L59-S77 VanDerWaalsContact O-CA 3.3Å; L59-S77 WeakPolarHBondContact O-CA 3.41Å; L59-S77 PolarHBondContact O-OG 3.26Å; L59-S77 VanDerWaalsContact O-OG 3.08Å; L59-A78 PolarHBondContact O-N 3.33Å
60V89.2Confident85.2Confident0 Ų043.8 Ų43.80%025%0.249CC..EExtended strand (participates in β ladder)trans-73118.8171.7-179.40000108.8A34 G36 V39 H56 D58 V63 C76A34-V60 HydrophobicContact CB-CB 4.21Å; A34-V60 HydrophobicContact CB-CG1 3.84Å; G36-V60 PolarHBondContact O-N 3.23Å; V39-V60 HydrophobicContact CG2-CG1 3.86Å; V39-V60 HydrophobicContact CG2-CG2 4.39Å; H56-V60 HydrophobicContact CB-CG2 4.2Å; D58-V60 PolarHBondContact O-N 3.14Å; V60-V63 HydrophobicContact CG1-CG2 4.14Å; V60-C76 CarbonylContact C-O 3.53Å; V60-C76 VanDerWaalsContact CA-O 3.31Å; V60-C76 WeakPolarHBondContact CA-O 3.49Å; V60-C76 VanDerWaalsContact CG1-O 3.31Å; V60-C76 WeakPolarHBondContact CG1-O 3.44Å
61T85.7Confident85.2Confident8 Ų845.7 Ų45.75%0.04926%0.259CS..EExtended strand (participates in β ladder)trans-100.2-6.2-17356.90000113.6R20 L59 C76 A78 I102R20-T61 WeakPolarHBondContact CD-O 3.31Å; R20-T61 WeakPolarHBondContact CG-O 3.46Å; R20-T61 PolarHBondContact NE-O 2.91Å; R20-T61 PolarHBondContact NH1-O 2.73Å; L59-T61 PolarHBondContact O-N 3.37Å; T61-C76 PolarHBondContact N-O 3.4Å; T61-C76 PolarHBondContact OG1-SG 3.11Å; T61-C76 VanDerWaalsContact OG1-SG 3.37Å; T61-A78 HydrophobicContact CG2-CB 4.34Å; T61-I102 WeakPolarHBondContact CB-O 3.26Å; T61-I102 VanDerWaalsContact CG2-O 3.24Å; T61-I102 WeakPolarHBondContact CG2-O 3.41Å; T61-I102 PolarHBondContact OG1-O 3.2Å
62G85.9Confident85.5Confident8 Ų846.1 Ų46.18%0.08226%0.261CS..EExtended strand (participates in β ladder)trans-176.5154175.300000113S75 C76G62-S75 WeakPolarHBondContact O-CA 3.28Å; G62-C76 VanDerWaalsContact CA-SG 3.56Å; G62-C76 PolarHBondContact N-SG 3.18Å; G62-C76 PolarHBondContact O-N 2.95Å
63V91.9Very high85.8Confident8 Ų843.8 Ų43.85%0.04825%0.25CS..EExtended strand (participates in β ladder)trans-134.7138176.4-179.30000108.2A23 L32 A34 V39 V60 Y74A23-V63 HydrophobicContact CB-CG1 4.49Å; L32-V63 HydrophobicContact CB-CG1 3.76Å; L32-V63 HydrophobicContact CD1-CG1 4.16Å; A34-V63 HydrophobicContact CB-CG2 4.03Å; V39-V63 HydrophobicContact CB-CG2 4.37Å; V39-V63 HydrophobicContact CG1-CG1 4.19Å; V39-V63 HydrophobicContact CG1-CG2 3.85Å; V39-V63 HydrophobicContact CG2-CG2 3.57Å; V60-V63 HydrophobicContact CG1-CG2 4.14Å; V63-Y74 WeakPolarHBondContact CA-O 3.38Å
64L90.4Very high86Confident38 Ų3844.3 Ų44.320%0.19925%0.252CS..EExtended strand (participates in β ladder)trans-148.2139.6-176-17672000110.7A73 Y74 I105 A107L64-A73 CarbonylContact O-C 3.52Å; L64-A73 WeakPolarHBondContact O-CA 3.3Å; L64-Y74 PolarHBondContact N-O 3.31Å; L64-Y74 PolarHBondContact O-N 2.87Å; L64-I105 HydrophobicContact CB-CG2 4.22Å; L64-A107 HydrophobicContact CD2-CB 3.31Å
65L90.1Very high86.4Confident29 Ų2939.2 Ų39.215%0.15223%0.233CC..EExtended strand (participates in β ladder)trans-75.5142.8171-69.1170.6000111.4A23 I24 L32 P67 A73 F87A23-L65 HydrophobicContact CB-CG 4.35Å; I24-L65 WeakPolarHBondContact O-CD1 3.32Å; L32-L65 HydrophobicContact CD1-CD2 3.61Å; L32-L65 HydrophobicContact CD1-CG 4.36Å; L65-P67 VanDerWaalsContact O-CD 3.3Å; L65-P67 WeakPolarHBondContact O-CD 3.32Å; L65-A73 HydrophobicContact CD2-CB 4.27Å; L65-F87 HydrophobicContact CD2-CD1 4.24Å; L65-F87 HydrophobicContact CD2-CE1 3.75Å; L65-F87 HydrophobicContact CD2-CZ 4.47Å
66R87.4Confident86.9Confident39 Ų3937.6 Ų37.615%0.14722%0.216CC..  trans-70.6122174.2177.6177.5-75.8-162.6-18.3109.2S68 N69 Q72 Y74R66-S68 VanDerWaalsContact C-N 3.27Å; R66-S68 WeakPolarHBondContact CG-OG 3.24Å; R66-S68 PolarHBondContact O-N 3.42Å; R66-N69 CarbonylContact O-C 3.54Å; R66-N69 PolarHBondContact O-N 3.35Å; R66-Q72 HydrophobicContact CB-CB 4.09Å; R66-Q72 WeakPolarHBondContact CB-O 3.22Å; R66-Q72 PolarHBondContact N-O 3.08Å; R66-Y74 HydrophobicContact CB-CD2 4.31Å; R66-Y74 HydrophobicContact CB-CE2 3.84Å; R66-Y74 HydrophobicContact CG-CE2 3.95Å; R66-Y74 VanDerWaalsContact CZ-OH 3.24Å; R66-Y74 VanDerWaalsContact NE-CZ 3.3Å; R66-Y74 PolarHBondContact NE-OH 3.07Å; R66-Y74 VanDerWaalsContact NH2-CZ 3.32Å; R66-Y74 PolarHBondContact NH2-OH 2.91Å
67P81.7Confident87.2Confident69 Ų6937.1 Ų37.145%0.44821%0.214SC..THydrogen-bonded Turntrans-62.7-30.8-179.3-25.535.6000114.3L65 A107 A109L65-P67 VanDerWaalsContact O-CD 3.3Å; L65-P67 WeakPolarHBondContact O-CD 3.32Å; P67-A107 HydrophobicContact CG-CB 4Å; P67-A109 HydrophobicContact CB-CB 4.03Å
68S82.3Confident87.3Confident73 Ų7333.7 Ų33.751%0.5119%0.185SC..THydrogen-bonded Turntrans-82.3-23.5-178.546.70000114.5R66 D112R66-S68 VanDerWaalsContact C-N 3.27Å; R66-S68 WeakPolarHBondContact CG-OG 3.24Å; R66-S68 PolarHBondContact O-N 3.42Å; S68-D112 PolarHBondContact OG-OD1 3.42Å
69N85Confident87.3Confident51 Ų5132.2 Ų32.227%0.27318%0.177SC..  trans-138.7118.3178.3-175-14.8000110.7R66 L71 Q72R66-N69 CarbonylContact O-C 3.54Å; R66-N69 PolarHBondContact O-N 3.35Å; N69-L71 VanDerWaalsContact C-N 3.27Å; N69-L71 PolarHBondContact O-N 3.22Å; N69-L71 PolarHBondContact OD1-N 3.31Å; N69-Q72 HydrophobicContact CB-CB 4.37Å; N69-Q72 HydrophobicContact CB-CG 4.43Å; N69-Q72 VanDerWaalsContact ND2-CD 3.28Å; N69-Q72 PolarHBondContact ND2-NE2 2.78Å; N69-Q72 PolarHBondContact ND2-OE1 2.98Å; N69-Q72 PolarHBondContact O-N 2.85Å
70H82.1Confident87.2Confident109 Ų10929 Ų2951%0.50516%0.161SC..THydrogen-bonded Turntrans-70.9-14-175.168.188.8000115.4S26 F87S26-H70 WeakPolarHBondContact OG-CB 3.16Å; H70-F87 WeakPolarHBondContact O-CE1 3.43Å; H70-F87 WeakPolarHBondContact O-CZ 3.3Å
71L84.9Confident87.2Confident66 Ų6629.8 Ų29.835%0.34617%0.165SC..THydrogen-bonded Turntrans-94.10.1177.5-61.4177.8000113.3N69 F87 T88N69-L71 VanDerWaalsContact C-N 3.27Å; N69-L71 PolarHBondContact O-N 3.22Å; N69-L71 PolarHBondContact OD1-N 3.31Å; L71-F87 WeakPolarHBondContact O-CD1 3.46Å; L71-F87 VanDerWaalsContact O-CE1 3.24Å; L71-F87 WeakPolarHBondContact O-CE1 3.28Å; L71-T88 HydrophobicContact CD2-CG2 4.13Å
72Q89.6Confident87.4Confident30 Ų3029.5 Ų29.514%0.1416%0.164CC..EExtended strand (participates in β ladder)trans-118.6141.5-172.3-71.1175.4-10.400112.3R66 N69 L84 W85 I93R66-Q72 HydrophobicContact CB-CB 4.09Å; R66-Q72 WeakPolarHBondContact CB-O 3.22Å; R66-Q72 PolarHBondContact N-O 3.08Å; N69-Q72 HydrophobicContact CB-CB 4.37Å; N69-Q72 HydrophobicContact CB-CG 4.43Å; N69-Q72 VanDerWaalsContact ND2-CD 3.28Å; N69-Q72 PolarHBondContact ND2-NE2 2.78Å; N69-Q72 PolarHBondContact ND2-OE1 2.98Å; N69-Q72 PolarHBondContact O-N 2.85Å; Q72-L84 HydrophobicContact CB-CD1 4Å; Q72-W85 VanDerWaalsContact CA-O 3.3Å; Q72-W85 WeakPolarHBondContact CA-O 3.44Å; Q72-I93 HydrophobicContact CG-CD1 4Å
73A91.3Very high87.7Confident2 Ų230.8 Ų30.82%0.01717%0.166CC..EExtended strand (participates in β ladder)trans-128.4143.2179.500000111.5L32 L64 L65 L84 W85 F87L32-A73 HydrophobicContact CD1-CB 3.63Å; L64-A73 CarbonylContact O-C 3.52Å; L64-A73 WeakPolarHBondContact O-CA 3.3Å; L65-A73 HydrophobicContact CD2-CB 4.27Å; A73-L84 WeakPolarHBondContact O-CA 3.48Å; A73-W85 PolarHBondContact N-O 2.72Å; A73-W85 PolarHBondContact O-N 3.26Å; A73-F87 HydrophobicContact CB-CD1 4.07Å
74Y91.1Very high87.7Confident13 Ų1330.6 Ų30.65%0.05117%0.165CC..EExtended strand (participates in β ladder)trans-95.4135.4166.6-63.2-67.9000110.1V63 L64 R66 V82 R83 L84 Y96 I115 L137V63-Y74 WeakPolarHBondContact CA-O 3.38Å; L64-Y74 PolarHBondContact N-O 3.31Å; L64-Y74 PolarHBondContact O-N 2.87Å; R66-Y74 HydrophobicContact CB-CD2 4.31Å; R66-Y74 HydrophobicContact CB-CE2 3.84Å; R66-Y74 HydrophobicContact CG-CE2 3.95Å; R66-Y74 VanDerWaalsContact CZ-OH 3.24Å; R66-Y74 VanDerWaalsContact NE-CZ 3.3Å; R66-Y74 PolarHBondContact NE-OH 3.07Å; R66-Y74 VanDerWaalsContact NH2-CZ 3.32Å; R66-Y74 PolarHBondContact NH2-OH 2.91Å; Y74-V82 HydrophobicContact CD1-CG1 4.14Å; Y74-R83 CarbonylContact C-O 3.57Å; Y74-R83 VanDerWaalsContact CA-O 3.26Å; Y74-R83 WeakPolarHBondContact CA-O 3.1Å; Y74-L84 HydrophobicContact CD1-CB 4.31Å; Y74-L84 HydrophobicContact CD1-CD1 3.98Å; Y74-L84 HydrophobicContact CE1-CB 4.29Å; Y74-L84 HydrophobicContact CE1-CD1 3.74Å; Y74-Y96 HydrophobicContact CE1-CE2 4.42Å; Y74-I115 HydrophobicContact CD1-CD1 3.77Å; Y74-I115 HydrophobicContact CD2-CD1 3.91Å; Y74-I115 HydrophobicContact CE1-CD1 3.63Å; Y74-I115 HydrophobicContact CE2-CD1 3.77Å; Y74-I115 HydrophobicContact CE2-CG1 4.4Å; Y74-I115 HydrophobicContact CG-CD1 3.89Å; Y74-L137 HydrophobicContact CE1-CD1 3.84Å; Y74-L137 WeakPolarHBondContact OH-CD1 3.46Å
75S91.3Very high87.7Confident1 Ų129.1 Ų29.11%0.00716%0.156CC..EExtended strand (participates in β ladder)trans-118.4143.2164.7640000109.6H56 G62 V82 R83 W85H56-S75 PolarHBondContact NE2-OG 2.93Å; G62-S75 WeakPolarHBondContact O-CA 3.28Å; S75-V82 CarbonylContact O-C 3.57Å; S75-V82 VanDerWaalsContact O-CA 3.28Å; S75-V82 WeakPolarHBondContact O-CA 3.46Å; S75-R83 PolarHBondContact N-O 3.08Å; S75-R83 PolarHBondContact O-N 3.5Å; S75-W85 PolarHBondContact OG-NE1 2.95Å
76C89.7Confident87.7Confident0 Ų029.1 Ų29.10%016%0.157CC..EExtended strand (participates in β ladder)trans-121.8148.3173.565.60000110.9V60 T61 G62 V82 I102 I105V60-C76 CarbonylContact C-O 3.53Å; V60-C76 VanDerWaalsContact CA-O 3.31Å; V60-C76 WeakPolarHBondContact CA-O 3.49Å; V60-C76 VanDerWaalsContact CG1-O 3.31Å; V60-C76 WeakPolarHBondContact CG1-O 3.44Å; T61-C76 PolarHBondContact N-O 3.4Å; T61-C76 PolarHBondContact OG1-SG 3.11Å; T61-C76 VanDerWaalsContact OG1-SG 3.37Å; G62-C76 VanDerWaalsContact CA-SG 3.56Å; G62-C76 PolarHBondContact N-SG 3.18Å; G62-C76 PolarHBondContact O-N 2.95Å; C76-V82 HydrophobicContact CB-CG2 4.13Å; C76-I102 HydrophobicContact CB-CB 4.31Å; C76-I102 HydrophobicContact CB-CD1 4.22Å; C76-I102 HydrophobicContact CB-CG2 3.69Å; C76-I105 HydrophobicContact CB-CB 4.12Å; C76-I105 HydrophobicContact CB-CD1 4.24Å; C76-I105 HydrophobicContact CB-CG2 4.29Å; C76-I105 WeakPolarHBondContact SG-CG2 3.45Å
77S89.8Confident87.6Confident0 Ų027.5 Ų27.50%015%0.151CC..EExtended strand (participates in β ladder)trans-134.5158.8-179.2168.90000112.1H56 D58 L59 D79 G80 T81 I102H56-S77 WeakPolarHBondContact ND1-CB 3.47Å; D58-S77 VanDerWaalsContact C-OG 3.25Å; D58-S77 PolarHBondContact O-OG 2.81Å; L59-S77 VanDerWaalsContact O-CA 3.3Å; L59-S77 WeakPolarHBondContact O-CA 3.41Å; L59-S77 PolarHBondContact O-OG 3.26Å; L59-S77 VanDerWaalsContact O-OG 3.08Å; S77-D79 VanDerWaalsContact CB-OD1 3.27Å; S77-D79 WeakPolarHBondContact CB-OD1 3.49Å; S77-D79 PolarHBondContact O-N 3.23Å; S77-D79 VanDerWaalsContact OG-CG 3.23Å; S77-D79 PolarHBondContact OG-N 3.36Å; S77-D79 VanDerWaalsContact OG-N 3.13Å; S77-D79 PolarHBondContact OG-OD1 2.6Å; S77-D79 PolarHBondContact OG-OD2 2.95Å; S77-G80 PolarHBondContact O-N 2.98Å; S77-G80 VanDerWaalsContact O-N 3.16Å; S77-T81 PolarHBondContact N-O 2.78Å; S77-I102 WeakPolarHBondContact O-CB 3.26Å; S77-I102 PolarHBondContact O-N 2.98Å
78A84.9Confident87.7Confident18 Ų1826.1 Ų26.115%0.14914%0.141CC..THydrogen-bonded Turntrans-60.4-17.4169.100000112.8D58 L59 T61 G80 P101D58-A78 HydrophobicContact CB-CB 4.37Å; L59-A78 PolarHBondContact O-N 3.33Å; T61-A78 HydrophobicContact CG2-CB 4.34Å; A78-G80 PolarHBondContact O-N 3.28Å; A78-G80 VanDerWaalsContact O-N 3.11Å; A78-P101 WeakPolarHBondContact O-CA 3.41Å; A78-P101 WeakPolarHBondContact O-CB 3.28Å
79D84.3Confident87.6Confident47 Ų4727.6 Ų27.625%0.25114%0.143SC..THydrogen-bonded Turntrans-63.4-11.7172.169.313.1000113.7H56 A57 D58 S77 T81H56-D79 IonicContact CG-OD2 3.56Å; H56-D79 IonicContact ND1-OD1 3.04Å; H56-D79 IonicContact ND1-OD2 3.74Å; H56-D79 PolarHBondContact ND1-OD2 3.02Å; A57-D79 HydrophobicContact CB-CB 4.25Å; A57-D79 PolarHBondContact N-OD2 3.49Å; A57-D79 VanDerWaalsContact N-OD2 3.13Å; D58-D79 HydrophobicContact CB-CB 3.99Å; S77-D79 VanDerWaalsContact CB-OD1 3.27Å; S77-D79 WeakPolarHBondContact CB-OD1 3.49Å; S77-D79 PolarHBondContact O-N 3.23Å; S77-D79 VanDerWaalsContact OG-CG 3.23Å; S77-D79 PolarHBondContact OG-N 3.36Å; S77-D79 VanDerWaalsContact OG-N 3.13Å; S77-D79 PolarHBondContact OG-OD1 2.6Å; S77-D79 PolarHBondContact OG-OD2 2.95Å; D79-T81 VanDerWaalsContact CG-OG1 3.22Å; D79-T81 WeakPolarHBondContact OD1-CA 3.34Å; D79-T81 VanDerWaalsContact OD1-CB 3.29Å; D79-T81 WeakPolarHBondContact OD1-CB 3.38Å; D79-T81 PolarHBondContact OD1-N 2.99Å; D79-T81 PolarHBondContact OD1-OG1 2.97Å; D79-T81 PolarHBondContact OD2-OG1 2.69Å
80G83.3Confident87.5Confident0 Ų026.2 Ų26.20%014%0.141CC..SBendtrans82.221.5179.700000114.5S77 A78 I98 G99 Y100S77-G80 PolarHBondContact O-N 2.98Å; S77-G80 VanDerWaalsContact O-N 3.16Å; A78-G80 PolarHBondContact O-N 3.28Å; A78-G80 VanDerWaalsContact O-N 3.11Å; G80-I98 PolarHBondContact O-N 3.24Å; G80-G99 PolarHBondContact O-N 2.75Å; G80-Y100 WeakPolarHBondContact CA-O 3.49Å
81T89.2Confident87.6Confident16 Ų1625.6 Ų25.610%0.09814%0.141CC..EExtended strand (participates in β ladder)trans-113.2145.7174.272.80000111.9H56 S77 D79 T95 Y96 V97H56-T81 PolarHBondContact CE1-OG1 3.18Å; H56-T81 VanDerWaalsContact CE1-OG1 3.28Å; H56-T81 PolarHBondContact ND1-OG1 3.44Å; H56-T81 VanDerWaalsContact ND1-OG1 3.15Å; S77-T81 PolarHBondContact N-O 2.78Å; D79-T81 VanDerWaalsContact CG-OG1 3.22Å; D79-T81 WeakPolarHBondContact OD1-CA 3.34Å; D79-T81 VanDerWaalsContact OD1-CB 3.29Å; D79-T81 WeakPolarHBondContact OD1-CB 3.38Å; D79-T81 PolarHBondContact OD1-N 2.99Å; D79-T81 PolarHBondContact OD1-OG1 2.97Å; D79-T81 PolarHBondContact OD2-OG1 2.69Å; T81-T95 HydrophobicContact CG2-CG2 4.31Å; T81-Y96 CarbonylContact C-O 3.57Å; T81-Y96 VanDerWaalsContact CA-O 3.28Å; T81-Y96 WeakPolarHBondContact CA-O 3.5Å; T81-V97 HydrophobicContact CG2-CG2 4.31Å
82V90.2Very high87.7Confident2 Ų224.2 Ų24.21%0.01213%0.133CC..EExtended strand (participates in β ladder)trans-111.8123.8164.8176.60000107.8Y74 S75 C76 Y96 I98 I102 I105 I115 I117Y74-V82 HydrophobicContact CD1-CG1 4.14Å; S75-V82 CarbonylContact O-C 3.57Å; S75-V82 VanDerWaalsContact O-CA 3.28Å; S75-V82 WeakPolarHBondContact O-CA 3.46Å; C76-V82 HydrophobicContact CB-CG2 4.13Å; V82-Y96 PolarHBondContact N-O 2.94Å; V82-Y96 PolarHBondContact O-N 2.82Å; V82-I98 HydrophobicContact CG2-CD1 3.74Å; V82-I102 HydrophobicContact CG2-CD1 3.5Å; V82-I105 HydrophobicContact CG1-CD1 3.85Å; V82-I105 HydrophobicContact CG2-CD1 4.33Å; V82-I115 HydrophobicContact CG1-CD1 4.39Å; V82-I117 HydrophobicContact CG2-CD1 3.82Å
83R90.9Very high87.6Confident36 Ų3625.5 Ų25.514%0.13614%0.141CC..EExtended strand (participates in β ladder)trans-108.5142.9179.4-68.3-178.1-175.4-148.13.3110.9G55 Y74 S75 W85 L92 K94 T95G55-R83 PolarHBondContact O-NH1 3.02Å; G55-R83 PolarHBondContact O-NH2 2.91Å; Y74-R83 CarbonylContact C-O 3.57Å; Y74-R83 VanDerWaalsContact CA-O 3.26Å; Y74-R83 WeakPolarHBondContact CA-O 3.1Å; S75-R83 PolarHBondContact N-O 3.08Å; S75-R83 PolarHBondContact O-N 3.5Å; R83-W85 HydrophobicContact CB-CZ2 4.05Å; R83-W85 VanDerWaalsContact CB-NE1 3.35Å; R83-W85 HydrophobicContact CG-CZ2 4.48Å; R83-L92 HydrophobicContact CB-CD1 3.74Å; R83-L92 HydrophobicContact CG-CD1 3.96Å; R83-K94 CarbonylContact C-O 3.58Å; R83-K94 WeakPolarHBondContact CA-O 3.42Å; R83-T95 HydrophobicContact CG-CG2 4.04Å
84L91.3Very high87.3Confident3 Ų327.1 Ų27.12%0.01615%0.147CC..EExtended strand (participates in β ladder)trans-107.4124174.6173.867.8000108.7Q72 A73 Y74 I93 K94 Y96Q72-L84 HydrophobicContact CB-CD1 4Å; A73-L84 WeakPolarHBondContact O-CA 3.48Å; Y74-L84 HydrophobicContact CD1-CB 4.31Å; Y74-L84 HydrophobicContact CD1-CD1 3.98Å; Y74-L84 HydrophobicContact CE1-CB 4.29Å; Y74-L84 HydrophobicContact CE1-CD1 3.74Å; L84-I93 HydrophobicContact CD2-CB 3.92Å; L84-I93 HydrophobicContact CD2-CD1 4.27Å; L84-I93 HydrophobicContact CD2-CG2 3.95Å; L84-I93 HydrophobicContact CG-CB 4.05Å; L84-I93 HydrophobicContact CG-CD1 4.18Å; L84-I93 PolarHBondContact O-N 2.73Å; L84-K94 HydrophobicContact CB-CB 4.14Å; L84-K94 HydrophobicContact CD2-CB 4.28Å; L84-K94 PolarHBondContact N-O 2.77Å; L84-K94 PolarHBondContact O-N 3.28Å; L84-Y96 HydrophobicContact CB-CE2 4.4Å
85W91Very high87.2Confident7 Ų726.9 Ų26.93%0.02715%0.147CC..EExtended strand (participates in β ladder)trans-117.6145.8-176.9-57.593.2000111L53 R54 Q72 A73 S75 R83 I91 L92L53-W85 HydrophobicContact CB-CD2 4.08Å; L53-W85 HydrophobicContact CB-CE3 4.07Å; L53-W85 HydrophobicContact CB-CH2 4.34Å; L53-W85 HydrophobicContact CB-CZ2 4.34Å; L53-W85 HydrophobicContact CB-CZ3 4.19Å; L53-W85 HydrophobicContact CD1-CB 3.93Å; L53-W85 HydrophobicContact CD1-CD2 4.09Å; L53-W85 HydrophobicContact CD1-CG 3.81Å; L53-W85 HydrophobicContact CD2-CD2 4.43Å; L53-W85 HydrophobicContact CD2-CE3 4.03Å; L53-W85 HydrophobicContact CG-CD2 4.43Å; L53-W85 HydrophobicContact CG-CE3 4.43Å; R54-W85 WeakPolarHBondContact O-CH2 3.32Å; Q72-W85 VanDerWaalsContact CA-O 3.3Å; Q72-W85 WeakPolarHBondContact CA-O 3.44Å; A73-W85 PolarHBondContact N-O 2.72Å; A73-W85 PolarHBondContact O-N 3.26Å; S75-W85 PolarHBondContact OG-NE1 2.95Å; R83-W85 HydrophobicContact CB-CZ2 4.05Å; R83-W85 VanDerWaalsContact CB-NE1 3.35Å; R83-W85 HydrophobicContact CG-CZ2 4.48Å; W85-I91 WeakPolarHBondContact CA-O 3.16Å; W85-L92 HydrophobicContact CD2-CD1 4.04Å; W85-L92 HydrophobicContact CE3-CB 3.88Å; W85-L92 HydrophobicContact CE3-CD1 4.1Å; W85-L92 HydrophobicContact CH2-CB 3.98Å; W85-L92 HydrophobicContact CH2-CD1 3.87Å; W85-L92 HydrophobicContact CH2-CD2 4.4Å; W85-L92 HydrophobicContact CH2-CG 4.3Å; W85-L92 HydrophobicContact CZ2-CD1 3.82Å; W85-L92 HydrophobicContact CZ3-CB 3.51Å; W85-L92 HydrophobicContact CZ3-CD1 4.03Å; W85-L92 HydrophobicContact CZ3-CG 4.27Å
86D90Very high87Confident30 Ų3027.1 Ų27.116%0.1615%0.148CC..EExtended strand (participates in β ladder)trans-85.6110.4148.6-163.6-43.1000107.1T88 G90 I91 I93D86-T88 VanDerWaalsContact C-N 3.29Å; D86-T88 PolarHBondContact O-N 2.85Å; D86-T88 PolarHBondContact OD1-N 3.28Å; D86-T88 VanDerWaalsContact OD1-N 3.08Å; D86-T88 PolarHBondContact OD1-OG1 3.3Å; D86-G90 CarbonylContact O-C 3.57Å; D86-G90 VanDerWaalsContact O-CA 3.32Å; D86-G90 WeakPolarHBondContact O-CA 3.44Å; D86-G90 PolarHBondContact O-N 3.29Å; D86-I91 PolarHBondContact N-O 2.76Å; D86-I91 PolarHBondContact O-N 2.55Å; D86-I93 HydrophobicContact CB-CD1 4.12Å; D86-I93 HydrophobicContact CB-CG1 4.39Å
87F86.3Confident86.7Confident5 Ų529.5 Ų29.52%0.02216%0.162CC..THydrogen-bonded Turntrans-80.1-13.8-173.764-101.4000112.9F30 L32 V41 L65 H70 L71 A73F30-F87 HydrophobicContact CB-CE2 4.31Å; F30-F87 AromaticContact CD2-CE2 3.89Å; F30-F87 HydrophobicContact CD2-CE2 3.89Å; F30-F87 HydrophobicContact CG-CE2 4.29Å; L32-F87 HydrophobicContact CD1-CD1 4.31Å; L32-F87 HydrophobicContact CD1-CG 4.45Å; L32-F87 HydrophobicContact CD2-CB 3.89Å; L32-F87 HydrophobicContact CD2-CD2 4.47Å; L32-F87 HydrophobicContact CD2-CG 4.17Å; V41-F87 HydrophobicContact CG2-CB 4.43Å; L65-F87 HydrophobicContact CD2-CD1 4.24Å; L65-F87 HydrophobicContact CD2-CE1 3.75Å; L65-F87 HydrophobicContact CD2-CZ 4.47Å; H70-F87 WeakPolarHBondContact O-CE1 3.43Å; H70-F87 WeakPolarHBondContact O-CZ 3.3Å; L71-F87 WeakPolarHBondContact O-CD1 3.46Å; L71-F87 VanDerWaalsContact O-CE1 3.24Å; L71-F87 WeakPolarHBondContact O-CE1 3.28Å; A73-F87 HydrophobicContact CB-CD1 4.07Å
88T83.9Confident86.2Confident40 Ų4030.2 Ų30.225%0.24517%0.166CC..THydrogen-bonded Turntrans-78.1-46.7178.2600000111.2L71 D86L71-T88 HydrophobicContact CD2-CG2 4.13Å; D86-T88 VanDerWaalsContact C-N 3.29Å; D86-T88 PolarHBondContact O-N 2.85Å; D86-T88 PolarHBondContact OD1-N 3.28Å; D86-T88 VanDerWaalsContact OD1-N 3.08Å; D86-T88 PolarHBondContact OD1-OG1 3.3Å
89D80.2Confident85.6Confident103 Ų10330.9 Ų30.955%0.55118%0.175SC*.THydrogen-bonded Turntrans-91.6-10.4179.2-68-29.7000113.5I91D89-I91 VanDerWaalsContact C-N 3.28Å; D89-I91 HydrophobicContact CB-CD1 3.64Å; D89-I91 HydrophobicContact CB-CG1 3.79Å; D89-I91 PolarHBondContact O-N 3.27Å
90G81.3Confident85.3Confident23 Ų2329.3 Ų29.324%0.23717%0.165CC..THydrogen-bonded Turntrans71.420.4-177.300000114.2D86D86-G90 CarbonylContact O-C 3.57Å; D86-G90 VanDerWaalsContact O-CA 3.32Å; D86-G90 WeakPolarHBondContact O-CA 3.44Å; D86-G90 PolarHBondContact O-N 3.29Å
91I85.4Confident85.2Confident96 Ų9629.9 Ų29.949%0.49217%0.169SC..EExtended strand (participates in β ladder)trans-89.7130.3-173.2-60.3170.6000110.4W85 D86 D89 I93W85-I91 WeakPolarHBondContact CA-O 3.16Å; D86-I91 PolarHBondContact N-O 2.76Å; D86-I91 PolarHBondContact O-N 2.55Å; D89-I91 VanDerWaalsContact C-N 3.28Å; D89-I91 HydrophobicContact CB-CD1 3.64Å; D89-I91 HydrophobicContact CB-CG1 3.79Å; D89-I91 PolarHBondContact O-N 3.27Å; I91-I93 PolarHBondContact O-N 3Å
92L87Confident84.9Confident36 Ų3629.2 Ų29.219%0.18817%0.165CC..EExtended strand (participates in β ladder)trans-76108170.2-179.860.2000110.3R83 W85 Q143R83-L92 HydrophobicContact CB-CD1 3.74Å; R83-L92 HydrophobicContact CG-CD1 3.96Å; W85-L92 HydrophobicContact CD2-CD1 4.04Å; W85-L92 HydrophobicContact CE3-CB 3.88Å; W85-L92 HydrophobicContact CE3-CD1 4.1Å; W85-L92 HydrophobicContact CH2-CB 3.98Å; W85-L92 HydrophobicContact CH2-CD1 3.87Å; W85-L92 HydrophobicContact CH2-CD2 4.4Å; W85-L92 HydrophobicContact CH2-CG 4.3Å; W85-L92 HydrophobicContact CZ2-CD1 3.82Å; W85-L92 HydrophobicContact CZ3-CB 3.51Å; W85-L92 HydrophobicContact CZ3-CD1 4.03Å; W85-L92 HydrophobicContact CZ3-CG 4.27Å; L92-Q143 PolarHBondContact O-NE2 3.35Å; L92-Q143 VanDerWaalsContact O-NE2 3.08Å
93I86.8Confident84.4Confident57 Ų5730.1 Ų30.129%0.29217%0.171SC..EExtended strand (participates in β ladder)trans-80.9-51.6-179.1-50179000110.5Q72 L84 D86 I91Q72-I93 HydrophobicContact CG-CD1 4Å; L84-I93 HydrophobicContact CD2-CB 3.92Å; L84-I93 HydrophobicContact CD2-CD1 4.27Å; L84-I93 HydrophobicContact CD2-CG2 3.95Å; L84-I93 HydrophobicContact CG-CB 4.05Å; L84-I93 HydrophobicContact CG-CD1 4.18Å; L84-I93 PolarHBondContact O-N 2.73Å; D86-I93 HydrophobicContact CB-CD1 4.12Å; D86-I93 HydrophobicContact CB-CG1 4.39Å; I91-I93 PolarHBondContact O-N 3Å
94K86.2Confident84Confident36 Ų3628.7 Ų28.716%0.15717%0.166CC..EExtended strand (participates in β ladder)trans-146.4149.8-177.3-73.4-177.4173.7-177.70112.3R83 L84 Y96 T140 Q143R83-K94 CarbonylContact C-O 3.58Å; R83-K94 WeakPolarHBondContact CA-O 3.42Å; L84-K94 HydrophobicContact CB-CB 4.14Å; L84-K94 HydrophobicContact CD2-CB 4.28Å; L84-K94 PolarHBondContact N-O 2.77Å; L84-K94 PolarHBondContact O-N 3.28Å; K94-Y96 HydrophobicContact CB-CE2 4.11Å; K94-Y96 HydrophobicContact CD-CE1 4.38Å; K94-Y96 VanDerWaalsContact CD-OH 3.3Å; K94-Y96 WeakPolarHBondContact CD-OH 3.18Å; K94-T140 WeakPolarHBondContact CE-O 3.29Å; K94-T140 PolarHBondContact NZ-O 3.46Å; K94-Q143 CarbonylContact C-O 3.58Å; K94-Q143 WeakPolarHBondContact CA-O 3.46Å
95T89Confident83.8Confident8 Ų828.8 Ų28.85%0.04917%0.167CC..EExtended strand (participates in β ladder)trans-123.1114.8172.1-58.70000108.4T81 R83 V97 Q143 L144 V145T81-T95 HydrophobicContact CG2-CG2 4.31Å; R83-T95 HydrophobicContact CG-CG2 4.04Å; T95-V97 HydrophobicContact CG2-CG2 4.42Å; T95-Q143 PolarHBondContact N-O 2.87Å; T95-L144 HydrophobicContact CG2-CD2 3.75Å; T95-L144 WeakPolarHBondContact O-CA 3.49Å; T95-V145 PolarHBondContact O-N 2.94Å
96Y85.9Confident83.5Confident7 Ų729.2 Ų29.23%0.02717%0.169CC..EExtended strand (participates in β ladder)trans-94.2119.1174.4-58.3-77.1000109.2Y74 T81 V82 L84 K94 L137 V145 T147Y74-Y96 HydrophobicContact CE1-CE2 4.42Å; T81-Y96 CarbonylContact C-O 3.57Å; T81-Y96 VanDerWaalsContact CA-O 3.28Å; T81-Y96 WeakPolarHBondContact CA-O 3.5Å; V82-Y96 PolarHBondContact N-O 2.94Å; V82-Y96 PolarHBondContact O-N 2.82Å; L84-Y96 HydrophobicContact CB-CE2 4.4Å; K94-Y96 HydrophobicContact CB-CE2 4.11Å; K94-Y96 HydrophobicContact CD-CE1 4.38Å; K94-Y96 VanDerWaalsContact CD-OH 3.3Å; K94-Y96 WeakPolarHBondContact CD-OH 3.18Å; Y96-L137 HydrophobicContact CD1-CD2 3.8Å; Y96-L137 HydrophobicContact CD2-CD2 3.8Å; Y96-L137 HydrophobicContact CE1-CB 4.31Å; Y96-L137 HydrophobicContact CE1-CD2 3.87Å; Y96-L137 HydrophobicContact CE2-CD1 4.19Å; Y96-L137 HydrophobicContact CE2-CD2 3.86Å; Y96-L137 HydrophobicContact CG-CD2 3.77Å; Y96-V145 CarbonylContact C-O 3.49Å; Y96-V145 VanDerWaalsContact CA-O 3.27Å; Y96-V145 WeakPolarHBondContact CA-O 3.27Å; Y96-V145 HydrophobicContact CD1-CB 3.84Å; Y96-V145 HydrophobicContact CD1-CG1 4.16Å; Y96-V145 HydrophobicContact CE1-CB 4.11Å; Y96-V145 HydrophobicContact CE1-CG1 4.33Å; Y96-V145 HydrophobicContact CE1-CG2 4.41Å; Y96-T147 HydrophobicContact CD1-CG2 3.85Å; Y96-T147 HydrophobicContact CG-CG2 4.43Å
97V84.5Confident83.2Confident49 Ų4928.9 Ų28.930%0.29717%0.17SC..EExtended strand (participates in β ladder)trans-97.3115.8178.9-176.60000108.5T81 T95 L144 V145 E146 T147T81-V97 HydrophobicContact CG2-CG2 4.31Å; T95-V97 HydrophobicContact CG2-CG2 4.42Å; V97-L144 HydrophobicContact CG2-CD2 4.29Å; V97-V145 PolarHBondContact N-O 3.41Å; V97-E146 HydrophobicContact CB-CG 4.35Å; V97-T147 PolarHBondContact O-N 3.25Å
98I77.7Confident83Confident15 Ų1529 Ų298%0.07717%0.172CC..  trans-101.1-28.3-178.8-47.4-168.4000110.2G80 V82 Y100 I102 I117 V135 L150G80-I98 PolarHBondContact O-N 3.24Å; V82-I98 HydrophobicContact CG2-CD1 3.74Å; I98-Y100 VanDerWaalsContact C-N 3.34Å; I98-Y100 HydrophobicContact CG2-CD2 4.09Å; I98-Y100 WeakPolarHBondContact O-CD2 3.05Å; I98-Y100 PolarHBondContact O-N 2.86Å; I98-I102 HydrophobicContact CD1-CD1 3.86Å; I98-I102 HydrophobicContact CG1-CD1 4.47Å; I98-I117 HydrophobicContact CD1-CD1 3.11Å; I98-V135 HydrophobicContact CD1-CG2 4.46Å; I98-L150 HydrophobicContact CG2-CD1 4.31Å; I98-L150 HydrophobicContact CG2-CD2 4.04Å
99G73.4Confident82.6Confident32 Ų3230.8 Ų30.833%0.3319%0.19SC..SBendtrans80.79.5174.500000114.7G80 Q817G80-G99 PolarHBondContact O-N 2.75Å; G99-Q817 PolarHBondContact O-NE2 2.88Å
100Y77.8Confident82.4Confident14 Ų1428.7 Ų28.76%0.05518%0.184CC..SBendtrans-130.4144.4172.9-49.6-77.9000110.2G80 I98 I102 L150 L813 Q817 E820 L821G80-Y100 WeakPolarHBondContact CA-O 3.49Å; I98-Y100 VanDerWaalsContact C-N 3.34Å; I98-Y100 HydrophobicContact CG2-CD2 4.09Å; I98-Y100 WeakPolarHBondContact O-CD2 3.05Å; I98-Y100 PolarHBondContact O-N 2.86Å; Y100-I102 PolarHBondContact O-N 2.77Å; Y100-L150 HydrophobicContact CD2-CD1 4.32Å; Y100-L150 HydrophobicContact CE2-CD1 3.72Å; Y100-L813 HydrophobicContact CD1-CD2 3.93Å; Y100-Q817 HydrophobicContact CD1-CB 3.71Å; Y100-Q817 HydrophobicContact CD1-CG 3.69Å; Y100-Q817 HydrophobicContact CE1-CB 3.39Å; Y100-Q817 HydrophobicContact CE1-CG 3.44Å; Y100-Q817 VanDerWaalsContact CE1-CG 3.44Å; Y100-E820 VanDerWaalsContact OH-CB 3.28Å; Y100-E820 WeakPolarHBondContact OH-CB 3.13Å; Y100-E820 PolarHBondContact OH-OE2 2.93Å; Y100-L821 HydrophobicContact CD1-CD1 3.89Å; Y100-L821 HydrophobicContact CD1-CG 4.22Å; Y100-L821 HydrophobicContact CD2-CD2 4.4Å; Y100-L821 HydrophobicContact CE1-CD1 4.01Å; Y100-L821 HydrophobicContact CE1-CD2 4.42Å; Y100-L821 HydrophobicContact CE1-CG 3.89Å; Y100-L821 HydrophobicContact CE2-CD2 4.27Å; Y100-L821 HydrophobicContact CG-CD1 4.41Å
101P80.3Confident82.1Confident13 Ų1328.4 Ų28.48%0.08418%0.176CC..  trans-59.6130.4176.526.1-35.5000111.1A78 P120 P811 L813A78-P101 WeakPolarHBondContact O-CA 3.41Å; A78-P101 WeakPolarHBondContact O-CB 3.28Å; P101-P120 HydrophobicContact CG-CG 4.01Å; P101-P120 VanDerWaalsContact O-CD 3.25Å; P101-P120 WeakPolarHBondContact O-CD 3.39Å; P101-P811 HydrophobicContact CB-CB 3.8Å; P101-P811 HydrophobicContact CB-CG 3.55Å; P101-P811 HydrophobicContact CG-CB 3.99Å; P101-P811 HydrophobicContact CG-CG 3.92Å; P101-L813 HydrophobicContact CG-CD2 4.03Å; P101-L813 HydrophobicContact CG-CG 4.44Å
102I83.2Confident81.6Confident1 Ų128.8 Ų28.81%0.00518%0.179CC..  trans-100.6129-175.9-60170.7000109.2T61 C76 S77 V82 I98 Y100 I117T61-I102 WeakPolarHBondContact CB-O 3.26Å; T61-I102 VanDerWaalsContact CG2-O 3.24Å; T61-I102 WeakPolarHBondContact CG2-O 3.41Å; T61-I102 PolarHBondContact OG1-O 3.2Å; C76-I102 HydrophobicContact CB-CB 4.31Å; C76-I102 HydrophobicContact CB-CD1 4.22Å; C76-I102 HydrophobicContact CB-CG2 3.69Å; S77-I102 WeakPolarHBondContact O-CB 3.26Å; S77-I102 PolarHBondContact O-N 2.98Å; V82-I102 HydrophobicContact CG2-CD1 3.5Å; I98-I102 HydrophobicContact CD1-CD1 3.86Å; I98-I102 HydrophobicContact CG1-CD1 4.47Å; Y100-I102 PolarHBondContact O-N 2.77Å; I102-I117 HydrophobicContact CB-CG2 4.11Å; I102-I117 HydrophobicContact CD1-CD1 4.42Å; I102-I117 HydrophobicContact CD1-CG2 4.26Å; I102-I117 HydrophobicContact CG1-CG2 3.86Å; I102-I117 HydrophobicContact CG2-CG2 3.37Å
103C81.1Confident80.9Confident21 Ų2127.9 Ų27.914%0.14218%0.179CC..  trans-97.9-32.2179.1-62.40000113.4R20 A118 L130R20-C103 PolarHBondContact NH1-O 3.21Å; R20-C103 PolarHBondContact NH2-O 3.28Å; C103-A118 PolarHBondContact N-O 2.85Å; C103-L130 HydrophobicContact CB-CD2 3.88Å; C103-L130 WeakPolarHBondContact SG-CD2 3.44Å
104S81.2Confident80.8Confident6 Ų625.5 Ų25.54%0.04217%0.167CC..EExtended strand (participates in β ladder)trans-158.4158.1174.752.80000110.9Y106 I117 A118S104-Y106 WeakPolarHBondContact CB-OH 3.34Å; S104-Y106 VanDerWaalsContact OG-CE2 3.28Å; S104-Y106 WeakPolarHBondContact OG-CE2 3.05Å; S104-Y106 PolarHBondContact OG-OH 2.92Å; S104-I117 WeakPolarHBondContact O-CA 3.28Å; S104-A118 PolarHBondContact O-N 3.26Å; S104-A118 WeakPolarHBondContact OG-CB 3.49Å
105I87.1Confident80.7Confident6 Ų623.9 Ų23.93%0.03116%0.16CC..EExtended strand (participates in β ladder)trans-127.5140.9-179.3-171.3168.2000109.5L64 C76 V82 I115 F116L64-I105 HydrophobicContact CB-CG2 4.22Å; C76-I105 HydrophobicContact CB-CB 4.12Å; C76-I105 HydrophobicContact CB-CD1 4.24Å; C76-I105 HydrophobicContact CB-CG2 4.29Å; C76-I105 WeakPolarHBondContact SG-CG2 3.45Å; V82-I105 HydrophobicContact CG1-CD1 3.85Å; V82-I105 HydrophobicContact CG2-CD1 4.33Å; I105-I115 HydrophobicContact CD1-CD1 4.33Å; I105-I115 HydrophobicContact CD1-CG2 3.67Å; I105-I115 HydrophobicContact CG1-CG2 3.44Å; I105-I115 VanDerWaalsContact CG1-CG2 3.44Å; I105-F116 CarbonylContact C-O 3.47Å; I105-F116 WeakPolarHBondContact CA-O 3.48Å
106Y84.7Confident80.5Confident16 Ų1623.5 Ų23.56%0.06316%0.157CC..EExtended strand (participates in β ladder)trans-140.3149.4174-45.7-91.2000109.1S104 F116 L132 P161 V164 F166S104-Y106 WeakPolarHBondContact CB-OH 3.34Å; S104-Y106 VanDerWaalsContact OG-CE2 3.28Å; S104-Y106 WeakPolarHBondContact OG-CE2 3.05Å; S104-Y106 PolarHBondContact OG-OH 2.92Å; Y106-F116 PolarHBondContact N-O 3.16Å; Y106-F116 PolarHBondContact O-N 3.32Å; Y106-L132 HydrophobicContact CD2-CD1 4.01Å; Y106-L132 HydrophobicContact CE2-CD1 4.17Å; Y106-P161 VanDerWaalsContact OH-CA 3.22Å; Y106-P161 WeakPolarHBondContact OH-CA 3.33Å; Y106-P161 PolarHBondContact OH-O 2.89Å; Y106-V164 HydrophobicContact CE1-CB 4.07Å; Y106-V164 HydrophobicContact CE1-CG1 4.31Å; Y106-V164 HydrophobicContact CE2-CB 4.23Å; Y106-V164 HydrophobicContact CE2-CG1 4.2Å; Y106-F166 HydrophobicContact CD1-CE2 4.22Å; Y106-F166 HydrophobicContact CD2-CE2 4.41Å; Y106-F166 AromaticContact CG-CE2 3.76Å; Y106-F166 HydrophobicContact CG-CE2 3.76Å
107A84.7Confident80.4Confident23 Ų2323.2 Ų23.219%0.1916%0.156CC..EExtended strand (participates in β ladder)trans-136.6149.8171.100000108.1L64 P67L64-A107 HydrophobicContact CD2-CB 3.31Å; P67-A107 HydrophobicContact CG-CB 4Å
108S81.2Confident80.2Confident7 Ų721 Ų215%0.04914%0.143CC..  trans-115.9140.1176.7179.30000108.7S110 H111 A169 G170S108-S110 PolarHBondContact O-N 3.15Å; S108-S110 PolarHBondContact OG-N 3.5Å; S108-S110 PolarHBondContact OG-OG 2.99Å; S108-H111 PolarHBondContact O-N 3.26Å; S108-A169 PolarHBondContact OG-O 2.6Å; S108-G170 WeakPolarHBondContact OG-CA 3.37Å
109A77.1Confident80.2Confident77 Ų7720.3 Ų20.364%0.63614%0.139SC*.THydrogen-bonded Turntrans-62.7-26.5173.800000112.9P67P67-A109 HydrophobicContact CB-CB 4.03Å
110S75.9Confident80.2Confident59 Ų5919.5 Ų19.541%0.41313%0.128SC..THydrogen-bonded Turntrans-75.9-20.6178.4490000114.8S108 A169S108-S110 PolarHBondContact O-N 3.15Å; S108-S110 PolarHBondContact OG-N 3.5Å; S108-S110 PolarHBondContact OG-OG 2.99Å; S110-A169 WeakPolarHBondContact CB-O 3.44Å; S110-A169 PolarHBondContact OG-O 3.11Å
111H74.7Confident79.5Confident17 Ų1719 Ų198%0.07913%0.127CC..SBendtrans-114.776-175.3-57.8-56.2000109S108 V114 F116 G170 F186 F832S108-H111 PolarHBondContact O-N 3.26Å; H111-V114 HydrophobicContact CB-CB 4.1Å; H111-V114 PolarHBondContact O-N 2.76Å; H111-F116 HydrophobicContact CB-CE2 4.42Å; H111-F116 AromaticContact CD2-CE2 3.87Å; H111-F116 AromaticContact CD2-CZ 3.76Å; H111-G170 PolarHBondContact NE2-O 2.74Å; H111-G170 VanDerWaalsContact NE2-O 3.12Å; H111-F186 AromaticContact NE2-CD2 3.95Å; H111-F832 AromaticContact CE1-CZ 3.64Å
112D73.5Confident78.3Confident105 Ų10524 Ų2456%0.56115%0.147SC*.THydrogen-bonded Turntrans-65.2138.4177.2-166.326.5000110.5S68 V114S68-D112 PolarHBondContact OG-OD1 3.42Å; D112-V114 VanDerWaalsContact C-N 3.25Å; D112-V114 PolarHBondContact O-N 2.96Å
113G73.8Confident76.5Confident17 Ų1725.3 Ų25.318%0.17516%0.161CC..THydrogen-bonded Turntrans74.5-0.4-175.400000116.3L137G113-L137 WeakPolarHBondContact O-CB 3.04Å; G113-L137 PolarHBondContact O-N 3.26Å
114V83.6Confident74.3Confident6 Ų633.2 Ų33.24%0.03619%0.189CC..EExtended strand (participates in β ladder)trans-115130177.1-176.80000111.1H111 D112 F116 A134 V135 W831 L835H111-V114 HydrophobicContact CB-CB 4.1Å; H111-V114 PolarHBondContact O-N 2.76Å; D112-V114 VanDerWaalsContact C-N 3.25Å; D112-V114 PolarHBondContact O-N 2.96Å; V114-F116 HydrophobicContact CG1-CE2 4.49Å; V114-F116 HydrophobicContact CG1-CZ 4.29Å; V114-A134 HydrophobicContact CG1-CB 3.9Å; V114-V135 WeakPolarHBondContact CA-O 3.39Å; V114-W831 HydrophobicContact CG1-CH2 4.29Å; V114-W831 HydrophobicContact CG1-CZ3 4.2Å; V114-W831 HydrophobicContact CG2-CZ3 4.16Å; V114-L835 HydrophobicContact CG2-CD1 4.15Å
115I84.9Confident72.4Confident2 Ų242.5 Ų42.51%0.0123%0.228CC..EExtended strand (participates in β ladder)trans-112.9139.2173.6-63-174.3000109.5Y74 V82 I105 I117 A134 V135 L137Y74-I115 HydrophobicContact CD1-CD1 3.77Å; Y74-I115 HydrophobicContact CD2-CD1 3.91Å; Y74-I115 HydrophobicContact CE1-CD1 3.63Å; Y74-I115 HydrophobicContact CE2-CD1 3.77Å; Y74-I115 HydrophobicContact CE2-CG1 4.4Å; Y74-I115 HydrophobicContact CG-CD1 3.89Å; V82-I115 HydrophobicContact CG1-CD1 4.39Å; I105-I115 HydrophobicContact CD1-CD1 4.33Å; I105-I115 HydrophobicContact CD1-CG2 3.67Å; I105-I115 HydrophobicContact CG1-CG2 3.44Å; I105-I115 VanDerWaalsContact CG1-CG2 3.44Å; I115-I117 HydrophobicContact CG2-CD1 4.2Å; I115-I117 HydrophobicContact CG2-CG1 3.75Å; I115-A134 WeakPolarHBondContact O-CA 3.45Å; I115-V135 PolarHBondContact N-O 2.93Å; I115-V135 PolarHBondContact O-N 2.92Å; I115-L137 HydrophobicContact CD1-CD1 3.42Å; I115-L137 VanDerWaalsContact CD1-CD1 3.42Å; I115-L137 HydrophobicContact CD1-CD2 4.16Å; I115-L137 HydrophobicContact CD1-CG 4.07Å; I115-L137 HydrophobicContact CG1-CD1 3.73Å; I115-L137 HydrophobicContact CG1-CG 4.13Å
116F85.3Confident70.2Confident0 Ų046.5 Ų46.50%025%0.254CS..EExtended strand (participates in β ladder)trans-99.1129.8172.9-57.3-88.4000110.3I105 Y106 H111 V114 L132 L133 A134 V153 F166 F186 W831I105-F116 CarbonylContact C-O 3.47Å; I105-F116 WeakPolarHBondContact CA-O 3.48Å; Y106-F116 PolarHBondContact N-O 3.16Å; Y106-F116 PolarHBondContact O-N 3.32Å; H111-F116 HydrophobicContact CB-CE2 4.42Å; H111-F116 AromaticContact CD2-CE2 3.87Å; H111-F116 AromaticContact CD2-CZ 3.76Å; V114-F116 HydrophobicContact CG1-CE2 4.49Å; V114-F116 HydrophobicContact CG1-CZ 4.29Å; F116-L132 HydrophobicContact CB-CD1 4.01Å; F116-L132 HydrophobicContact CB-CG 4.29Å; F116-L133 CarbonylContact C-O 3.56Å; F116-L133 VanDerWaalsContact CA-O 3.27Å; F116-L133 WeakPolarHBondContact CA-O 3.46Å; F116-A134 HydrophobicContact CD1-CB 3.73Å; F116-A134 HydrophobicContact CE1-CB 3.64Å; F116-V153 HydrophobicContact CD1-CG2 4.12Å; F116-V153 HydrophobicContact CE1-CG2 4.06Å; F116-F166 HydrophobicContact CB-CZ 3.87Å; F116-F166 HydrophobicContact CD1-CE1 4.43Å; F116-F166 HydrophobicContact CD1-CZ 4.25Å; F116-F166 AromaticContact CD2-CE1 3.59Å; F116-F166 HydrophobicContact CD2-CE1 3.59Å; F116-F166 AromaticContact CD2-CZ 3.47Å; F116-F166 HydrophobicContact CD2-CZ 3.47Å; F116-F166 VanDerWaalsContact CD2-CZ 3.47Å; F116-F166 HydrophobicContact CE1-CE1 4.47Å; F116-F166 AromaticContact CE2-CE1 3.65Å; F116-F166 HydrophobicContact CE2-CE1 3.65Å; F116-F166 HydrophobicContact CE2-CZ 4.05Å; F116-F166 HydrophobicContact CG-CE1 4.01Å; F116-F166 AromaticContact CG-CZ 3.6Å; F116-F166 HydrophobicContact CG-CZ 3.6Å; F116-F166 HydrophobicContact CZ-CE1 4.11Å; F116-F186 AromaticContact CE1-CE1 3.74Å; F116-F186 HydrophobicContact CE1-CE1 3.74Å; F116-F186 AromaticContact CE1-CZ 3.6Å; F116-F186 HydrophobicContact CE1-CZ 3.6Å; F116-F186 AromaticContact CZ-CE1 3.94Å; F116-F186 HydrophobicContact CZ-CE1 3.94Å; F116-F186 HydrophobicContact CZ-CE2 4.49Å; F116-F186 AromaticContact CZ-CZ 3.6Å; F116-F186 HydrophobicContact CZ-CZ 3.6Å; F116-W831 HydrophobicContact CE1-CH2 4.46Å
117I82.7Confident68.6Low2 Ų249.3 Ų49.31%0.0127%0.269CS..EExtended strand (participates in β ladder)trans-130.3132.3-172.5-57.2-175.4000109.2V82 I98 I102 S104 I115 T119 L132 L133 V135V82-I117 HydrophobicContact CG2-CD1 3.82Å; I98-I117 HydrophobicContact CD1-CD1 3.11Å; I102-I117 HydrophobicContact CB-CG2 4.11Å; I102-I117 HydrophobicContact CD1-CD1 4.42Å; I102-I117 HydrophobicContact CD1-CG2 4.26Å; I102-I117 HydrophobicContact CG1-CG2 3.86Å; I102-I117 HydrophobicContact CG2-CG2 3.37Å; S104-I117 WeakPolarHBondContact O-CA 3.28Å; I115-I117 HydrophobicContact CG2-CD1 4.2Å; I115-I117 HydrophobicContact CG2-CG1 3.75Å; I117-T119 HydrophobicContact CG2-CG2 3.91Å; I117-L132 WeakPolarHBondContact O-CA 3.49Å; I117-L133 PolarHBondContact N-O 3.37Å; I117-L133 PolarHBondContact O-N 3.49Å; I117-V135 HydrophobicContact CB-CG2 4.39Å; I117-V135 HydrophobicContact CD1-CB 4.31Å; I117-V135 HydrophobicContact CD1-CG2 3.64Å; I117-V135 HydrophobicContact CG1-CG2 4.01Å
118A81.3Confident67Low1 Ų153.3 Ų53.31%0.00829%0.287CS..EExtended strand (participates in β ladder)trans-90.5118.9171.600000110.2C103 S104 Q131C103-A118 PolarHBondContact N-O 2.85Å; S104-A118 PolarHBondContact O-N 3.26Å; S104-A118 WeakPolarHBondContact OG-CB 3.49Å; A118-Q131 WeakPolarHBondContact CA-O 3.5Å
119T76.7Confident66Low1 Ų154.2 Ų54.21%0.00629%0.294CS..EExtended strand (participates in β ladder)trans-123.6147.2178.361.50000111.2I117 L130 Q131 L133I117-T119 HydrophobicContact CG2-CG2 3.91Å; T119-L130 CarbonylContact O-C 3.54Å; T119-L130 WeakPolarHBondContact O-CA 3.17Å; T119-Q131 PolarHBondContact N-O 3.45Å; T119-Q131 PolarHBondContact O-N 3.19Å; T119-L133 HydrophobicContact CG2-CD1 4.02Å; T119-L133 VanDerWaalsContact OG1-CD1 3.26Å; T119-L133 WeakPolarHBondContact OG1-CD1 3.27Å
120P73.1Confident65.7Low15 Ų1550.6 Ų50.610%0.09726%0.264CS..EExtended strand (participates in β ladder)trans-72.1141.9179.923.4-27.2000111P101 L130 L813 L821P101-P120 HydrophobicContact CG-CG 4.01Å; P101-P120 VanDerWaalsContact O-CD 3.25Å; P101-P120 WeakPolarHBondContact O-CD 3.39Å; P120-L130 HydrophobicContact CB-CD2 4.02Å; P120-L813 HydrophobicContact CB-CD1 4.28Å; P120-L813 HydrophobicContact CG-CD1 4.04Å; P120-L813 HydrophobicContact CG-CG 4.49Å; P120-L813 WeakPolarHBondContact O-CD1 3.31Å; P120-L821 WeakPolarHBondContact O-CD1 3.47Å
121T63.2Low65.7Low3 Ų347.8 Ų47.82%0.01824%0.244CC..  trans-98.9-15.7-170.966.50000115.1S129 Q131 R825T121-S129 WeakPolarHBondContact CB-O 3.35Å; T121-S129 WeakPolarHBondContact CG2-O 3.44Å; T121-S129 PolarHBondContact N-O 3.5Å; T121-S129 VanDerWaalsContact N-O 3.07Å; T121-S129 PolarHBondContact OG1-O 3.09Å; T121-S129 PolarHBondContact OG1-OG 3.19Å; T121-S129 VanDerWaalsContact OG1-OG 3.12Å; T121-Q131 HydrophobicContact CG2-CB 3.15Å; T121-Q131 HydrophobicContact CG2-CG 4.31Å; T121-R825 PolarHBondContact OG1-NH2 3.39Å
122K55.7Low66Low119 Ų11947 Ų4752%0.51724%0.24SC..  trans-138.1133.1179.3-69.2179.6-177.1170.20110.1
123G46.3Very low66.2Low28 Ų2842 Ų4229%0.28921%0.214SC..  trans-74.8133.8157.300000109.9
124Y33.7Very low66.5Low188 Ų18841.3 Ų41.374%0.73721%0.206SC*.SBendtrans104.4108.4174.7-74.1-86.7000118.3T126Y124-T126 PolarHBondContact O-N 2.97Å
125K42Very low66.3Low200 Ų20041.1 Ų41.187%0.8721%0.205SC*.SBendtrans75.2-14.3148.4-67.1-173.3177.6-170.40120.3
126T40.8Very low65.9Low91 Ų9145.7 Ų45.756%0.55823%0.226SC*.  trans-141.5125.4163.5520000110.8Y124 D128Y124-T126 PolarHBondContact O-N 2.97Å; T126-D128 WeakPolarHBondContact CB-OD2 3.43Å; T126-D128 PolarHBondContact O-N 3.31Å
127L50.2Low65.4Low74 Ų7446.1 Ų46.139%0.38723%0.229SC..  trans-64.56.1172.3-98.7137.5000113.3S129 D810L127-S129 PolarHBondContact O-N 2.49Å; L127-D810 HydrophobicContact CD1-CB 4.38Å; L127-D810 WeakPolarHBondContact CD1-OD2 3.29Å
128D50.6Low64.9Low107 Ų10747.7 Ų47.757%0.57224%0.239SC*.  trans-73.4-0.2-162.3-66-12.8000115.9T126T126-D128 WeakPolarHBondContact CB-OD2 3.43Å; T126-D128 PolarHBondContact O-N 3.31Å
129S60.7Low64.2Low27 Ų2756 Ų5619%0.18928%0.278CS..  trans-138.893.2174.553.40000111.5T121 L127T121-S129 WeakPolarHBondContact CB-O 3.35Å; T121-S129 WeakPolarHBondContact CG2-O 3.44Å; T121-S129 PolarHBondContact N-O 3.5Å; T121-S129 VanDerWaalsContact N-O 3.07Å; T121-S129 PolarHBondContact OG1-O 3.09Å; T121-S129 PolarHBondContact OG1-OG 3.19Å; T121-S129 VanDerWaalsContact OG1-OG 3.12Å; L127-S129 PolarHBondContact O-N 2.49Å
130L71.8Confident63.8Low1 Ų159.7 Ų59.71%0.00530%0.3CS..EExtended strand (participates in β ladder)trans-90.5157.8167.6-62.7134.5000110C103 T119 P120 S155 D156 V157 S158 A159C103-L130 HydrophobicContact CB-CD2 3.88Å; C103-L130 WeakPolarHBondContact SG-CD2 3.44Å; T119-L130 CarbonylContact O-C 3.54Å; T119-L130 WeakPolarHBondContact O-CA 3.17Å; P120-L130 HydrophobicContact CB-CD2 4.02Å; L130-S155 CarbonylContact O-C 3.55Å; L130-D156 PolarHBondContact O-N 2.93Å; L130-V157 HydrophobicContact CB-CB 4.25Å; L130-V157 WeakPolarHBondContact CB-O 3.19Å; L130-V157 PolarHBondContact N-O 3.49Å; L130-V157 PolarHBondContact O-N 3.31Å; L130-S158 WeakPolarHBondContact CD1-O 3.4Å; L130-A159 HydrophobicContact CD1-CB 3.63Å
131Q75.9Confident63.3Low0 Ų064.1 Ų64.10%034%0.338CS..EExtended strand (participates in β ladder)trans-124.8134.4176.4169171-19.900109.1A118 T119 T121 L133 L154 R825A118-Q131 WeakPolarHBondContact CA-O 3.5Å; T119-Q131 PolarHBondContact N-O 3.45Å; T119-Q131 PolarHBondContact O-N 3.19Å; T121-Q131 HydrophobicContact CG2-CB 3.15Å; T121-Q131 HydrophobicContact CG2-CG 4.31Å; Q131-L133 HydrophobicContact CG-CD2 3.91Å; Q131-L133 HydrophobicContact CG-CG 4.31Å; Q131-L133 VanDerWaalsContact NE2-CD2 3.32Å; Q131-L154 CarbonylContact C-O 3.49Å; Q131-L154 WeakPolarHBondContact CA-O 3.27Å; Q131-L154 VanDerWaalsContact CG-O 3.29Å; Q131-L154 WeakPolarHBondContact CG-O 3.21Å; Q131-R825 VanDerWaalsContact OE1-CG 3.27Å
132L79.9Confident63.4Low0 Ų065.5 Ų65.50%035%0.353CS..EExtended strand (participates in β ladder)trans-81.8116.6169.8-166.169.3000108.3Y106 F116 I117 V153 L154 V157 V173Y106-L132 HydrophobicContact CD2-CD1 4.01Å; Y106-L132 HydrophobicContact CE2-CD1 4.17Å; F116-L132 HydrophobicContact CB-CD1 4.01Å; F116-L132 HydrophobicContact CB-CG 4.29Å; I117-L132 WeakPolarHBondContact O-CA 3.49Å; L132-V153 HydrophobicContact CB-CB 4.47Å; L132-V153 HydrophobicContact CD2-CB 4.32Å; L132-V153 HydrophobicContact CD2-CG1 4.34Å; L132-V153 HydrophobicContact CG-CB 4.49Å; L132-V153 PolarHBondContact O-N 3.05Å; L132-L154 HydrophobicContact CB-CB 4.11Å; L132-L154 PolarHBondContact N-O 3.42Å; L132-L154 PolarHBondContact O-N 3.25Å; L132-V157 HydrophobicContact CB-CG2 4.13Å; L132-V173 HydrophobicContact CD2-CG1 4.07Å
133L78.1Confident64.2Low1 Ų165.2 Ų65.21%0.00535%0.353CS..EExtended strand (participates in β ladder)trans-105.1135.7174.5-63.7176.4000108.9F116 I117 T119 Q131 S151 A152 L821 V824F116-L133 CarbonylContact C-O 3.56Å; F116-L133 VanDerWaalsContact CA-O 3.27Å; F116-L133 WeakPolarHBondContact CA-O 3.46Å; I117-L133 PolarHBondContact N-O 3.37Å; I117-L133 PolarHBondContact O-N 3.49Å; T119-L133 HydrophobicContact CG2-CD1 4.02Å; T119-L133 VanDerWaalsContact OG1-CD1 3.26Å; T119-L133 WeakPolarHBondContact OG1-CD1 3.27Å; Q131-L133 HydrophobicContact CG-CD2 3.91Å; Q131-L133 HydrophobicContact CG-CG 4.31Å; Q131-L133 VanDerWaalsContact NE2-CD2 3.32Å; L133-S151 CarbonylContact C-O 3.55Å; L133-S151 VanDerWaalsContact CA-O 3.26Å; L133-S151 WeakPolarHBondContact CA-O 3.43Å; L133-A152 HydrophobicContact CD2-CB 4.39Å; L133-L821 HydrophobicContact CD1-CD2 3.89Å; L133-V824 HydrophobicContact CD2-CG1 3.9Å
134A80.4Confident65.5Low2 Ų270 Ų702%0.01737%0.372CS..EExtended strand (participates in β ladder)trans-92.3125163.900000108.5V114 I115 F116 S151 V153 W831V114-A134 HydrophobicContact CG1-CB 3.9Å; I115-A134 WeakPolarHBondContact O-CA 3.45Å; F116-A134 HydrophobicContact CD1-CB 3.73Å; F116-A134 HydrophobicContact CE1-CB 3.64Å; A134-S151 WeakPolarHBondContact CB-OG 3.36Å; A134-S151 PolarHBondContact N-O 3.38Å; A134-S151 PolarHBondContact O-N 3.04Å; A134-S151 PolarHBondContact O-OG 3.22Å; A134-V153 HydrophobicContact CB-CG2 3.81Å; A134-W831 HydrophobicContact CB-CH2 3.85Å; A134-W831 HydrophobicContact CB-CZ2 3.62Å
135V78.7Confident67.4Low1 Ų161.6 Ų61.61%0.00634%0.34CS..EExtended strand (participates in β ladder)trans-113.2121.1-176.8-173.60000108.1I98 V114 I115 I117 L150I98-V135 HydrophobicContact CD1-CG2 4.46Å; V114-V135 WeakPolarHBondContact CA-O 3.39Å; I115-V135 PolarHBondContact N-O 2.93Å; I115-V135 PolarHBondContact O-N 2.92Å; I117-V135 HydrophobicContact CB-CG2 4.39Å; I117-V135 HydrophobicContact CD1-CB 4.31Å; I117-V135 HydrophobicContact CD1-CG2 3.64Å; I117-V135 HydrophobicContact CG1-CG2 4.01Å; V135-L150 HydrophobicContact CB-CD2 4.07Å; V135-L150 HydrophobicContact CG1-CD2 3.87Å; V135-L150 HydrophobicContact CG2-CD2 3.36Å
136H76.8Confident68.7Low98 Ų9860.1 Ų60.145%0.45434%0.336SS..EExtended strand (participates in β ladder)trans-81.8125.6173.8-175.1-92.4000109.5P138 D149H136-P138 WeakPolarHBondContact O-CD 3.26Å; H136-D149 HydrophobicContact CB-CB 4.37Å; H136-D149 PolarHBondContact N-O 3.05Å
137L75.9Confident69.7Low10 Ų1056.1 Ų56.15%0.05231%0.311CS..  trans-86.8115.4179-66.2-178.6000110.4Y74 Y96 G113 I115 Q139Y74-L137 HydrophobicContact CE1-CD1 3.84Å; Y74-L137 WeakPolarHBondContact OH-CD1 3.46Å; Y96-L137 HydrophobicContact CD1-CD2 3.8Å; Y96-L137 HydrophobicContact CD2-CD2 3.8Å; Y96-L137 HydrophobicContact CE1-CB 4.31Å; Y96-L137 HydrophobicContact CE1-CD2 3.87Å; Y96-L137 HydrophobicContact CE2-CD1 4.19Å; Y96-L137 HydrophobicContact CE2-CD2 3.86Å; Y96-L137 HydrophobicContact CG-CD2 3.77Å; G113-L137 WeakPolarHBondContact O-CB 3.04Å; G113-L137 PolarHBondContact O-N 3.26Å; I115-L137 HydrophobicContact CD1-CD1 3.42Å; I115-L137 VanDerWaalsContact CD1-CD1 3.42Å; I115-L137 HydrophobicContact CD1-CD2 4.16Å; I115-L137 HydrophobicContact CD1-CG 4.07Å; I115-L137 HydrophobicContact CG1-CD1 3.73Å; I115-L137 HydrophobicContact CG1-CG 4.13Å; L137-Q139 PolarHBondContact O-N 3.14Å
138P71.8Confident70Confident34 Ų3457.5 Ų57.522%0.22133%0.327CS..  trans-67.6132.8176.6-15.630.5000110.5H136 T140 V145 T147H136-P138 WeakPolarHBondContact O-CD 3.26Å; P138-T140 WeakPolarHBondContact CB-OG1 3.49Å; P138-T140 PolarHBondContact O-N 3.3Å; P138-V145 HydrophobicContact CB-CG1 3.94Å; P138-V145 HydrophobicContact CG-CG1 3.63Å; P138-T147 HydrophobicContact CG-CG2 4.13Å
139Q65.6Low70.5Confident177 Ų17757.2 Ų57.283%0.82733%0.326SS*.  trans-8140.7174.4-62.9-174.83.800112.4L137L137-Q139 PolarHBondContact O-N 3.14Å
140T69Low70.8Confident78 Ų7857.3 Ų57.348%0.47932%0.324SS..  trans-75.9152.3-179.9-31.80000111.3K94 P138 G142K94-T140 WeakPolarHBondContact CE-O 3.29Å; K94-T140 PolarHBondContact NZ-O 3.46Å; P138-T140 WeakPolarHBondContact CB-OG1 3.49Å; P138-T140 PolarHBondContact O-N 3.3Å; T140-G142 VanDerWaalsContact C-N 3.28Å; T140-G142 PolarHBondContact O-N 2.99Å
141A62.2Low70.6Confident108 Ų10857.9 Ų57.989%0.89333%0.328SS*.SBendtrans-71.9-15-18000000114.6
142G65.9Low70.1Confident32 Ų3259 Ų5933%0.3334%0.338SS..  trans-70.9147.8-177.500000114.3T140T140-G142 VanDerWaalsContact C-N 3.28Å; T140-G142 PolarHBondContact O-N 2.99Å
143Q72.4Confident69.6Low113 Ų11359.9 Ų59.953%0.52834%0.343SS..SBendtrans-74.7-28.3174.8-167.2176.620.500112.3L92 K94 T95L92-Q143 PolarHBondContact O-NE2 3.35Å; L92-Q143 VanDerWaalsContact O-NE2 3.08Å; K94-Q143 CarbonylContact C-O 3.58Å; K94-Q143 WeakPolarHBondContact CA-O 3.46Å; T95-Q143 PolarHBondContact N-O 2.87Å
144L72.3Confident69.2Low129 Ų12960.2 Ų60.268%0.67535%0.345SS*.EExtended strand (participates in β ladder)trans-110.6123.3172.5-77.6159.7000109.2T95 V97T95-L144 HydrophobicContact CG2-CD2 3.75Å; T95-L144 WeakPolarHBondContact O-CA 3.49Å; V97-L144 HydrophobicContact CG2-CD2 4.29Å
145V75.5Confident68.2Low11 Ų1163 Ų637%0.06736%0.364CS..EExtended strand (participates in β ladder)trans-131.3114.2-178.3-178.20000109.1T95 Y96 V97 P138 T147T95-V145 PolarHBondContact O-N 2.94Å; Y96-V145 CarbonylContact C-O 3.49Å; Y96-V145 VanDerWaalsContact CA-O 3.27Å; Y96-V145 WeakPolarHBondContact CA-O 3.27Å; Y96-V145 HydrophobicContact CD1-CB 3.84Å; Y96-V145 HydrophobicContact CD1-CG1 4.16Å; Y96-V145 HydrophobicContact CE1-CB 4.11Å; Y96-V145 HydrophobicContact CE1-CG1 4.33Å; Y96-V145 HydrophobicContact CE1-CG2 4.41Å; V97-V145 PolarHBondContact N-O 3.41Å; P138-V145 HydrophobicContact CB-CG1 3.94Å; P138-V145 HydrophobicContact CG-CG1 3.63Å; V145-T147 HydrophobicContact CG1-CG2 4.38Å
146E68.7Low67.5Low168 Ų16865 Ų6579%0.78537%0.374SS*.EExtended strand (participates in β ladder)trans-76.4127.6169-65.3-172.6164.200109.2V97V97-E146 HydrophobicContact CB-CG 4.35Å
147T62.3Low67.3Low8 Ų860.3 Ų60.35%0.04935%0.353CS..  trans-107.3108.6-178.158.60000110.5Y96 V97 P138 V145Y96-T147 HydrophobicContact CD1-CG2 3.85Å; Y96-T147 HydrophobicContact CG-CG2 4.43Å; V97-T147 PolarHBondContact O-N 3.25Å; P138-T147 HydrophobicContact CG-CG2 4.13Å; V145-T147 HydrophobicContact CG1-CG2 4.38Å
148S56.3Low67Low103 Ų10361.1 Ų61.172%0.7236%0.359SS*.  trans-90-17.4178.953.90000114.3L150S148-L150 PolarHBondContact O-N 3.27Å; S148-L150 VanDerWaalsContact O-N 3.11Å
149D61.1Low66.7Low101 Ų10161.8 Ų61.854%0.5437%0.367SS..  trans-90.582-170-62.5-7000110.4H136H136-D149 HydrophobicContact CB-CB 4.37Å; H136-D149 PolarHBondContact N-O 3.05Å
150L67.3Low67Low28 Ų2855.1 Ų55.115%0.14734%0.338CS..EExtended strand (participates in β ladder)trans-106.4127.7179.3-59.5174000110.6I98 Y100 V135 S148 V824I98-L150 HydrophobicContact CG2-CD1 4.31Å; I98-L150 HydrophobicContact CG2-CD2 4.04Å; Y100-L150 HydrophobicContact CD2-CD1 4.32Å; Y100-L150 HydrophobicContact CE2-CD1 3.72Å; V135-L150 HydrophobicContact CB-CD2 4.07Å; V135-L150 HydrophobicContact CG1-CD2 3.87Å; V135-L150 HydrophobicContact CG2-CD2 3.36Å; S148-L150 PolarHBondContact O-N 3.27Å; S148-L150 VanDerWaalsContact O-N 3.11Å; L150-V824 HydrophobicContact CB-CG1 4.46Å; L150-V824 WeakPolarHBondContact O-CG1 3.47Å
151S67.2Low67.3Low14 Ų1451.9 Ų51.910%0.09832%0.318CS..EExtended strand (participates in β ladder)trans-124136.9176.366.20000112.2L133 A134 W831L133-S151 CarbonylContact C-O 3.55Å; L133-S151 VanDerWaalsContact CA-O 3.26Å; L133-S151 WeakPolarHBondContact CA-O 3.43Å; A134-S151 WeakPolarHBondContact CB-OG 3.36Å; A134-S151 PolarHBondContact N-O 3.38Å; A134-S151 PolarHBondContact O-N 3.04Å; A134-S151 PolarHBondContact O-OG 3.22Å; S151-W831 VanDerWaalsContact OG-CE2 3.3Å; S151-W831 PolarHBondContact OG-NE1 3.32Å
152A64.4Low68.1Low24 Ų2447.6 Ų47.620%0.19828%0.282CS..EExtended strand (participates in β ladder)trans-80.3126.3-17900000112.3L133 V824L133-A152 HydrophobicContact CD2-CB 4.39Å; A152-V824 HydrophobicContact CB-CG1 4.21Å
153V69.8Low68.9Low17 Ų1746.2 Ų46.210%0.10327%0.268CS..EExtended strand (participates in β ladder)trans-101.9-52.3174.5-1740000111.2F116 L132 A134 F184 F186F116-V153 HydrophobicContact CD1-CG2 4.12Å; F116-V153 HydrophobicContact CE1-CG2 4.06Å; L132-V153 HydrophobicContact CB-CB 4.47Å; L132-V153 HydrophobicContact CD2-CB 4.32Å; L132-V153 HydrophobicContact CD2-CG1 4.34Å; L132-V153 HydrophobicContact CG-CB 4.49Å; L132-V153 PolarHBondContact O-N 3.05Å; A134-V153 HydrophobicContact CB-CG2 3.81Å; V153-F184 HydrophobicContact CG1-CD1 3.61Å; V153-F184 HydrophobicContact CG1-CE1 3.82Å; V153-F184 HydrophobicContact CG1-CG 4.21Å; V153-F186 HydrophobicContact CG1-CE1 4.03Å; V153-F186 HydrophobicContact CG1-CZ 4.46Å
154L70.1Confident69.5Low9 Ų941.3 Ų41.35%0.04725%0.245CC..EExtended strand (participates in β ladder)trans-137.4132.1-179.7-74.7172.3000110.5Q131 L132 V157 V173 F184Q131-L154 CarbonylContact C-O 3.49Å; Q131-L154 WeakPolarHBondContact CA-O 3.27Å; Q131-L154 VanDerWaalsContact CG-O 3.29Å; Q131-L154 WeakPolarHBondContact CG-O 3.21Å; L132-L154 HydrophobicContact CB-CB 4.11Å; L132-L154 PolarHBondContact N-O 3.42Å; L132-L154 PolarHBondContact O-N 3.25Å; L154-V157 HydrophobicContact CB-CG2 3.84Å; L154-V173 HydrophobicContact CD1-CG1 4.21Å; L154-F184 HydrophobicContact CD1-CB 4.47Å; L154-F184 HydrophobicContact CD2-CB 4Å; L154-F184 HydrophobicContact CG-CB 4.29Å
155S58.1Low70.2Confident60 Ų6035.8 Ų35.842%0.4222%0.218SC..EExtended strand (participates in β ladder)trans-94.6-5.6-173.762.10000115.6L130 R825L130-S155 CarbonylContact O-C 3.55Å; S155-R825 PolarHBondContact O-NH2 2.81Å
156D65.9Low70.7Confident43 Ų4337.3 Ų37.323%0.2322%0.224CC..EExtended strand (participates in β ladder)trans-140.769.9-167.9-16820.3000111.1L130 N177 Q182L130-D156 PolarHBondContact O-N 2.93Å; D156-N177 PolarHBondContact OD1-ND2 3.11Å; D156-Q182 PolarHBondContact OD2-NE2 3.38Å
157V72.2Confident71.4Confident0 Ų029.3 Ų29.30%019%0.187CC..EExtended strand (participates in β ladder)trans-108.4145.3-178.2-175.60000109.6L130 L132 L154 V164L130-V157 HydrophobicContact CB-CB 4.25Å; L130-V157 WeakPolarHBondContact CB-O 3.19Å; L130-V157 PolarHBondContact N-O 3.49Å; L130-V157 PolarHBondContact O-N 3.31Å; L132-V157 HydrophobicContact CB-CG2 4.13Å; L154-V157 HydrophobicContact CB-CG2 3.84Å; V157-V164 HydrophobicContact CG1-CG2 3.41Å; V157-V164 VanDerWaalsContact CG1-CG2 3.41Å
158S68.8Low72.1Confident26 Ų2632.7 Ų32.718%0.18220%0.199CC..  trans-74.8157175.9144.60000112.1L130 N160 T163 T176L130-S158 WeakPolarHBondContact CD1-O 3.4Å; S158-N160 VanDerWaalsContact C-N 3.28Å; S158-N160 PolarHBondContact O-N 3.41Å; S158-N160 PolarHBondContact OG-N 3.29Å; S158-N160 VanDerWaalsContact OG-N 3.15Å; S158-T163 VanDerWaalsContact CB-OG1 3.31Å; S158-T163 WeakPolarHBondContact CB-OG1 3.35Å; S158-T163 WeakPolarHBondContact OG-CG2 3.38Å; S158-T163 PolarHBondContact OG-OG1 3.03Å; S158-T176 WeakPolarHBondContact CB-O 3.4Å
159A64.8Low72.9Confident48 Ų4831 Ų3140%0.39719%0.191SC..SBendtrans-69.2-22.6177.500000114.6L130L130-A159 HydrophobicContact CD1-CB 3.63Å
160N73.9Confident73.6Confident38 Ų3826.3 Ų26.320%0.20317%0.166CC..SBendtrans-84.4122.8-179.4-174.71.8000110.9S158 A162 T163S158-N160 VanDerWaalsContact C-N 3.28Å; S158-N160 PolarHBondContact O-N 3.41Å; S158-N160 PolarHBondContact OG-N 3.29Å; S158-N160 VanDerWaalsContact OG-N 3.15Å; N160-A162 PolarHBondContact O-N 2.98Å; N160-A162 PolarHBondContact OD1-N 3.25Å; N160-T163 HydrophobicContact CB-CG2 4.18Å; N160-T163 WeakPolarHBondContact O-CB 3.48Å; N160-T163 PolarHBondContact O-N 2.98Å; N160-T163 VanDerWaalsContact O-N 3.12Å; N160-T163 PolarHBondContact O-OG1 3.41Å
161P73.9Confident74.3Confident9 Ų927.8 Ų27.86%0.05817%0.172CC..G310 helixtrans-58.9-31.2179.325.2-38.3000113.8R20 Y106 T163 V164R20-P161 VanDerWaalsContact NH1-CG 3.33Å; Y106-P161 VanDerWaalsContact OH-CA 3.22Å; Y106-P161 WeakPolarHBondContact OH-CA 3.33Å; Y106-P161 PolarHBondContact OH-O 2.89Å; P161-T163 PolarHBondContact O-N 2.85Å; P161-V164 PolarHBondContact O-N 3.27Å; P161-V164 VanDerWaalsContact O-N 3.13Å
162A80.1Confident75.3Confident18 Ų1827.1 Ų27.115%0.14917%0.168CC..G310 helixtrans-62.6-5.8178.600000114N160 C210 V211N160-A162 PolarHBondContact O-N 2.98Å; N160-A162 PolarHBondContact OD1-N 3.25Å; A162-C210 HydrophobicContact CB-CB 4.05Å; A162-C210 CarbonylContact O-C 3.57Å; A162-C210 WeakPolarHBondContact O-CA 3.48Å; A162-V211 PolarHBondContact O-N 3.33Å
163T81.6Confident76.4Confident4 Ų426 Ų263%0.02516%0.158CC..G310 helixtrans-92.8-4.7179.4630000114.4S158 N160 P161 S175 T176S158-T163 VanDerWaalsContact CB-OG1 3.31Å; S158-T163 WeakPolarHBondContact CB-OG1 3.35Å; S158-T163 WeakPolarHBondContact OG-CG2 3.38Å; S158-T163 PolarHBondContact OG-OG1 3.03Å; N160-T163 HydrophobicContact CB-CG2 4.18Å; N160-T163 WeakPolarHBondContact O-CB 3.48Å; N160-T163 PolarHBondContact O-N 2.98Å; N160-T163 VanDerWaalsContact O-N 3.12Å; N160-T163 PolarHBondContact O-OG1 3.41Å; P161-T163 PolarHBondContact O-N 2.85Å; T163-S175 CarbonylContact O-C 3.54Å; T163-S175 VanDerWaalsContact O-CA 3.27Å; T163-S175 WeakPolarHBondContact O-CA 3.47Å; T163-T176 WeakPolarHBondContact CB-O 3.35Å; T163-T176 VanDerWaalsContact CB-OG1 3.28Å; T163-T176 WeakPolarHBondContact CB-OG1 3.19Å; T163-T176 PolarHBondContact O-N 3.34Å
164V86.3Confident77.2Confident9 Ų925.2 Ų25.26%0.05515%0.153CC..EExtended strand (participates in β ladder)trans-119.4130.7178.2-178.40000109.8Y106 V157 P161 F166 V173 A174Y106-V164 HydrophobicContact CE1-CB 4.07Å; Y106-V164 HydrophobicContact CE1-CG1 4.31Å; Y106-V164 HydrophobicContact CE2-CB 4.23Å; Y106-V164 HydrophobicContact CE2-CG1 4.2Å; V157-V164 HydrophobicContact CG1-CG2 3.41Å; V157-V164 VanDerWaalsContact CG1-CG2 3.41Å; P161-V164 PolarHBondContact O-N 3.27Å; P161-V164 VanDerWaalsContact O-N 3.13Å; V164-F166 HydrophobicContact CG1-CE2 4.43Å; V164-V173 HydrophobicContact CG1-CG1 3.77Å; V164-A174 WeakPolarHBondContact CA-O 3.49Å
165A85.9Confident78Confident14 Ų1424.8 Ų24.812%0.11615%0.151CC..EExtended strand (participates in β ladder)trans-143.7146176.300000111.5A174 V211 C213A165-A174 PolarHBondContact N-O 2.82Å; A165-A174 PolarHBondContact O-N 3.26Å; A165-V211 HydrophobicContact CB-CG1 4.18Å; A165-C213 HydrophobicContact CB-CB 4.28Å
166F86.3Confident79.2Confident42 Ų4222 Ų2218%0.18413%0.132CC..EExtended strand (participates in β ladder)trans-97.2129.9175.6-70.4-104.3000109.4Y106 F116 V164 V173 F186 C213Y106-F166 HydrophobicContact CD1-CE2 4.22Å; Y106-F166 HydrophobicContact CD2-CE2 4.41Å; Y106-F166 AromaticContact CG-CE2 3.76Å; Y106-F166 HydrophobicContact CG-CE2 3.76Å; F116-F166 HydrophobicContact CB-CZ 3.87Å; F116-F166 HydrophobicContact CD1-CE1 4.43Å; F116-F166 HydrophobicContact CD1-CZ 4.25Å; F116-F166 AromaticContact CD2-CE1 3.59Å; F116-F166 HydrophobicContact CD2-CE1 3.59Å; F116-F166 AromaticContact CD2-CZ 3.47Å; F116-F166 HydrophobicContact CD2-CZ 3.47Å; F116-F166 VanDerWaalsContact CD2-CZ 3.47Å; F116-F166 HydrophobicContact CE1-CE1 4.47Å; F116-F166 AromaticContact CE2-CE1 3.65Å; F116-F166 HydrophobicContact CE2-CE1 3.65Å; F116-F166 HydrophobicContact CE2-CZ 4.05Å; F116-F166 HydrophobicContact CG-CE1 4.01Å; F116-F166 AromaticContact CG-CZ 3.6Å; F116-F166 HydrophobicContact CG-CZ 3.6Å; F116-F166 HydrophobicContact CZ-CE1 4.11Å; V164-F166 HydrophobicContact CG1-CE2 4.43Å; F166-V173 HydrophobicContact CD1-CG2 3.56Å; F166-V173 HydrophobicContact CE1-CG2 3.29Å; F166-V173 HydrophobicContact CE2-CG2 4.44Å; F166-V173 HydrophobicContact CG-CG2 4.26Å; F166-V173 HydrophobicContact CZ-CG2 3.77Å; F166-F186 HydrophobicContact CD1-CE2 4.25Å; F166-F186 HydrophobicContact CE1-CE2 4.09Å; F166-F186 HydrophobicContact CE1-CZ 4.03Å; F166-C213 WeakPolarHBondContact O-CB 3.45Å
167G82.8Confident79.9Confident0 Ų022 Ų220%013%0.132CC..EExtended strand (participates in β ladder)trans-108.5156.5176.900000112.2A169 G170 E171 Y172 C213G167-A169 PolarHBondContact O-N 3.12Å; G167-G170 WeakPolarHBondContact O-CA 3.3Å; G167-G170 PolarHBondContact O-N 2.8Å; G167-E171 PolarHBondContact O-N 2.98Å; G167-Y172 PolarHBondContact N-O 3.21Å; G167-C213 VanDerWaalsContact CA-CB 3.44Å
168R78.1Confident80.3Confident80 Ų8023.6 Ų23.630%0.30215%0.148SC..G310 helixtrans52.749.8178.8-77.7-166.1166.9157.17114.1G170 E171 Y172 H214 P215 T216 D218R168-G170 PolarHBondContact O-N 3.14Å; R168-E171 HydrophobicContact CB-CB 3.87Å; R168-E171 HydrophobicContact CB-CG 3.88Å; R168-E171 WeakPolarHBondContact CD-OE2 3.48Å; R168-E171 IonicContact NH1-OE2 2.73Å; R168-E171 WeakPolarHBondContact O-CG 3.17Å; R168-E171 PolarHBondContact O-N 3.23Å; R168-Y172 HydrophobicContact CB-CD1 4.5Å; R168-Y172 HydrophobicContact CB-CE1 4.16Å; R168-Y172 HydrophobicContact CG-CE1 3.98Å; R168-H214 PolarHBondContact N-O 3.42Å; R168-P215 WeakPolarHBondContact CA-O 3.32Å; R168-T216 VanDerWaalsContact CG-O 3.29Å; R168-T216 WeakPolarHBondContact CG-O 3.26Å; R168-T216 PolarHBondContact NE-O 2.8Å; R168-D218 IonicContact CZ-OD1 3.76Å; R168-D218 IonicContact CZ-OD2 2.66Å; R168-D218 IonicContact NE-OD1 2.87Å; R168-D218 PolarHBondContact NE-OD1 2.88Å; R168-D218 IonicContact NH1-OD1 4Å; R168-D218 PolarHBondContact NH1-OD1 2.74Å; R168-D218 IonicContact NH1-OD2 3.9Å; R168-D218 PolarHBondContact NH1-OD2 2.92Å; R168-D218 IonicContact NH2-OD1 2.85Å; R168-D218 PolarHBondContact NH2-OD1 2.99Å; R168-D218 IonicContact NH2-OD2 3.25Å; R168-D218 PolarHBondContact NH2-OD2 3.06Å
169A71.5Confident80.9Confident67 Ų6723.3 Ų23.355%0.55415%0.145SC*.G310 helixtrans50.927.7-174.300000113.7S108 S110 G167 P215S108-A169 PolarHBondContact OG-O 2.6Å; S110-A169 WeakPolarHBondContact CB-O 3.44Å; S110-A169 PolarHBondContact OG-O 3.11Å; G167-A169 PolarHBondContact O-N 3.12Å; A169-P215 PolarHBondContact N-O 3.26Å
170G75.9Confident81.8Confident2 Ų224.5 Ų24.52%0.02114%0.143CC..G310 helixtrans98.924.3177.300000116.9S108 H111 G167 R168 F186S108-G170 WeakPolarHBondContact OG-CA 3.37Å; H111-G170 PolarHBondContact NE2-O 2.74Å; H111-G170 VanDerWaalsContact NE2-O 3.12Å; G167-G170 WeakPolarHBondContact O-CA 3.3Å; G167-G170 PolarHBondContact O-N 2.8Å; R168-G170 PolarHBondContact O-N 3.14Å; G170-F186 WeakPolarHBondContact O-CD2 2.93Å; G170-F186 WeakPolarHBondContact O-CE2 3.25Å
171E83.7Confident82.4Confident60 Ų6022.7 Ų22.728%0.2813%0.133SC..THydrogen-bonded Turntrans-73.1-29.4169.4-68-164.6140.900113.2G167 R168 F186 K187G167-E171 PolarHBondContact O-N 2.98Å; R168-E171 HydrophobicContact CB-CB 3.87Å; R168-E171 HydrophobicContact CB-CG 3.88Å; R168-E171 WeakPolarHBondContact CD-OE2 3.48Å; R168-E171 IonicContact NH1-OE2 2.73Å; R168-E171 WeakPolarHBondContact O-CG 3.17Å; R168-E171 PolarHBondContact O-N 3.23Å; E171-F186 WeakPolarHBondContact O-CD2 3.48Å; E171-F186 PolarHBondContact O-N 3.15Å; E171-F186 VanDerWaalsContact O-N 3.07Å; E171-K187 IonicContact OE1-NZ 3.91Å; E171-K187 PolarHBondContact OE1-NZ 2.62Å
172Y86.3Confident82.9Confident0 Ų022.7 Ų22.70%013%0.132CC..EExtended strand (participates in β ladder)trans-142.9156.5175.264.4-93.2000112.1G167 R168 I183 F184 F185 C213 I220 F235G167-Y172 PolarHBondContact N-O 3.21Å; R168-Y172 HydrophobicContact CB-CD1 4.5Å; R168-Y172 HydrophobicContact CB-CE1 4.16Å; R168-Y172 HydrophobicContact CG-CE1 3.98Å; Y172-I183 HydrophobicContact CD2-CG2 4Å; Y172-I183 HydrophobicContact CG-CG2 4.4Å; Y172-F184 CarbonylContact C-O 3.54Å; Y172-F184 WeakPolarHBondContact CA-O 3.49Å; Y172-F184 WeakPolarHBondContact CB-O 3.44Å; Y172-F185 HydrophobicContact CD1-CD1 4.4Å; Y172-F185 AromaticContact CD1-CE1 3.92Å; Y172-F185 HydrophobicContact CD1-CE1 3.92Å; Y172-F185 HydrophobicContact CG-CD1 4.41Å; Y172-F185 HydrophobicContact CG-CE1 4.16Å; Y172-C213 HydrophobicContact CE2-CB 4.37Å; Y172-I220 HydrophobicContact CE2-CD1 3.89Å; Y172-I220 HydrophobicContact CE2-CG1 3.9Å; Y172-F235 HydrophobicContact CD1-CE2 4.43Å; Y172-F235 HydrophobicContact CD2-CE2 4.35Å; Y172-F235 HydrophobicContact CE1-CE2 4.24Å; Y172-F235 HydrophobicContact CE1-CZ 4.11Å; Y172-F235 HydrophobicContact CE2-CE2 4.16Å; Y172-F235 AromaticContact CE2-CZ 3.96Å; Y172-F235 HydrophobicContact CE2-CZ 3.96Å; Y172-F235 HydrophobicContact CG-CE2 4.49Å; Y172-F235 AromaticContact CZ-CZ 3.69Å
173V87.8Confident83.2Confident0 Ų021.8 Ų21.80%013%0.125CC..EExtended strand (participates in β ladder)trans-114.7130.2171.8-177.80000108.9L132 L154 V164 F166 I183 F184 F186L132-V173 HydrophobicContact CD2-CG1 4.07Å; L154-V173 HydrophobicContact CD1-CG1 4.21Å; V164-V173 HydrophobicContact CG1-CG1 3.77Å; F166-V173 HydrophobicContact CD1-CG2 3.56Å; F166-V173 HydrophobicContact CE1-CG2 3.29Å; F166-V173 HydrophobicContact CE2-CG2 4.44Å; F166-V173 HydrophobicContact CG-CG2 4.26Å; F166-V173 HydrophobicContact CZ-CG2 3.77Å; V173-I183 CarbonylContact O-C 3.57Å; V173-I183 VanDerWaalsContact O-CA 3.32Å; V173-I183 WeakPolarHBondContact O-CA 3.42Å; V173-F184 PolarHBondContact N-O 3.13Å; V173-F184 PolarHBondContact O-N 2.79Å; V173-F186 HydrophobicContact CG2-CD2 4.45Å; V173-F186 HydrophobicContact CG2-CE2 3.36Å; V173-F186 HydrophobicContact CG2-CZ 3.42Å; V173-F186 VanDerWaalsContact CG2-CZ 3.42Å
174A87.2Confident83.3Confident0 Ų022.3 Ų22.30%013%0.127CC..EExtended strand (participates in β ladder)trans-101.6136.7167.900000109.5V164 A165 L181 Q182 V211 I220V164-A174 WeakPolarHBondContact CA-O 3.49Å; A165-A174 PolarHBondContact N-O 2.82Å; A165-A174 PolarHBondContact O-N 3.26Å; A174-L181 HydrophobicContact CB-CD1 4.43Å; A174-Q182 CarbonylContact C-O 3.54Å; A174-Q182 WeakPolarHBondContact CA-O 3.23Å; A174-V211 HydrophobicContact CB-CG1 3.91Å; A174-I220 HydrophobicContact CB-CD1 3.96Å; A174-I220 HydrophobicContact CB-CG2 4.28Å
175S86.9Confident83.2Confident1 Ų122.6 Ų22.61%0.00713%0.127CC..EExtended strand (participates in β ladder)trans-135.9133.3176.3176.40000109.4T163 Q182T163-S175 CarbonylContact O-C 3.54Å; T163-S175 VanDerWaalsContact O-CA 3.27Å; T163-S175 WeakPolarHBondContact O-CA 3.47Å; S175-Q182 PolarHBondContact N-O 3.07Å; S175-Q182 PolarHBondContact O-N 2.8Å
176T82.8Confident82.8Confident1 Ų122 Ų221%0.00612%0.122CC..EExtended strand (participates in β ladder)trans-109.6135.3171.650.80000112.2S158 T163 Q180 L181 F208 V211S158-T176 WeakPolarHBondContact CB-O 3.4Å; T163-T176 WeakPolarHBondContact CB-O 3.35Å; T163-T176 VanDerWaalsContact CB-OG1 3.28Å; T163-T176 WeakPolarHBondContact CB-OG1 3.19Å; T163-T176 PolarHBondContact O-N 3.34Å; T176-Q180 CarbonylContact C-O 3.6Å; T176-Q180 WeakPolarHBondContact CA-O 3.44Å; T176-L181 HydrophobicContact CG2-CB 4.24Å; T176-L181 HydrophobicContact CG2-CD1 3.54Å; T176-L181 HydrophobicContact CG2-CG 4.5Å; T176-F208 HydrophobicContact CG2-CB 3.75Å; T176-F208 HydrophobicContact CG2-CD1 4.04Å; T176-F208 HydrophobicContact CG2-CD2 3.96Å; T176-F208 HydrophobicContact CG2-CG 3.68Å; T176-V211 HydrophobicContact CG2-CG2 3.22Å; T176-V211 VanDerWaalsContact OG1-CG2 3.27Å; T176-V211 WeakPolarHBondContact OG1-CG2 3.28Å
177N81.4Confident82.3Confident44 Ų4426.4 Ų26.424%0.23514%0.141CC..EExtended strand (participates in β ladder)trans-132.9115.2169.6-168.74000109.6D156 V179 Q180D156-N177 PolarHBondContact OD1-ND2 3.11Å; N177-V179 PolarHBondContact O-N 3.03Å; N177-Q180 PolarHBondContact N-O 2.91Å; N177-Q180 PolarHBondContact O-N 2.64Å
178G79.8Confident81.9Confident32 Ų3231.2 Ų31.233%0.3316%0.162SC..THydrogen-bonded Turntrans57.1-110.3-176.600000112.2F208G178-F208 WeakPolarHBondContact O-CD2 3.39Å; G178-F208 PolarHBondContact O-N 3.5Å
179V81.9Confident81.7Confident21 Ų2131.5 Ų31.513%0.12717%0.167CC..THydrogen-bonded Turntrans-102.77.5-179.4-158.40000112.3N177 S195 L196 E198 F208N177-V179 PolarHBondContact O-N 3.03Å; V179-S195 WeakPolarHBondContact O-CA 3.44Å; V179-L196 HydrophobicContact CG1-CB 3.97Å; V179-L196 WeakPolarHBondContact CG1-O 3.35Å; V179-L196 PolarHBondContact O-N 3.28Å; V179-E198 HydrophobicContact CG2-CG 3.99Å; V179-F208 VanDerWaalsContact C-CE2 3.5Å; V179-F208 WeakPolarHBondContact O-CE2 3.31Å
180Q84.1Confident82Confident73 Ų7333.9 Ų33.934%0.34117%0.165SC..EExtended strand (participates in β ladder)trans-110130.5-178.2-59.5-1759.100111.7T176 N177 F194T176-Q180 CarbonylContact C-O 3.6Å; T176-Q180 WeakPolarHBondContact CA-O 3.44Å; N177-Q180 PolarHBondContact N-O 2.91Å; N177-Q180 PolarHBondContact O-N 2.64Å; Q180-F194 CarbonylContact C-O 3.28Å; Q180-F194 WeakPolarHBondContact CA-O 3.22Å
181L86.1Confident82.2Confident0 Ų037.6 Ų37.60%019%0.19CC..EExtended strand (participates in β ladder)trans-102.5121.3167.5174.566.8000108.5A174 T176 I183 R193 F194 F208 T222 W232A174-L181 HydrophobicContact CB-CD1 4.43Å; T176-L181 HydrophobicContact CG2-CB 4.24Å; T176-L181 HydrophobicContact CG2-CD1 3.54Å; T176-L181 HydrophobicContact CG2-CG 4.5Å; L181-I183 HydrophobicContact CD2-CD1 4.38Å; L181-I183 HydrophobicContact CG-CG1 4.29Å; L181-R193 CarbonylContact O-C 3.58Å; L181-R193 WeakPolarHBondContact O-CA 3.13Å; L181-F194 HydrophobicContact CB-CB 4.42Å; L181-F194 HydrophobicContact CD2-CD2 4.49Å; L181-F194 PolarHBondContact N-O 3.34Å; L181-F194 PolarHBondContact O-N 2.95Å; L181-F208 HydrophobicContact CB-CE2 4.15Å; L181-F208 HydrophobicContact CB-CZ 4.09Å; L181-T222 HydrophobicContact CD1-CG2 4.4Å; L181-T222 HydrophobicContact CD2-CG2 4.43Å; L181-W232 HydrophobicContact CD2-CD2 3.93Å; L181-W232 HydrophobicContact CD2-CE3 4.26Å; L181-W232 HydrophobicContact CD2-CG 4.16Å
182Q85.3Confident82Confident8 Ų836.1 Ų36.14%0.03718%0.183CC..EExtended strand (participates in β ladder)trans-111133.7175.2-63.2-173.618.600109.6D156 A174 S175 F192 R193D156-Q182 PolarHBondContact OD2-NE2 3.38Å; A174-Q182 CarbonylContact C-O 3.54Å; A174-Q182 WeakPolarHBondContact CA-O 3.23Å; S175-Q182 PolarHBondContact N-O 3.07Å; S175-Q182 PolarHBondContact O-N 2.8Å; Q182-F192 CarbonylContact C-O 3.48Å; Q182-F192 WeakPolarHBondContact CA-O 3.37Å; Q182-R193 HydrophobicContact CG-CB 4.47Å; Q182-R193 HydrophobicContact CG-CG 4.11Å; Q182-R193 VanDerWaalsContact NE2-NE 3.11Å
183I86.5Confident81.8Confident0 Ų043.2 Ų43.20%021%0.21CC..EExtended strand (participates in β ladder)trans-125.9123.4178.6-55.3173.5000107.9Y172 V173 L181 F185 S191 F192 F194 I220 F235Y172-I183 HydrophobicContact CD2-CG2 4Å; Y172-I183 HydrophobicContact CG-CG2 4.4Å; V173-I183 CarbonylContact O-C 3.57Å; V173-I183 VanDerWaalsContact O-CA 3.32Å; V173-I183 WeakPolarHBondContact O-CA 3.42Å; L181-I183 HydrophobicContact CD2-CD1 4.38Å; L181-I183 HydrophobicContact CG-CG1 4.29Å; I183-F185 HydrophobicContact CG2-CD2 4.32Å; I183-F185 HydrophobicContact CG2-CE2 4.02Å; I183-S191 CarbonylContact O-C 3.51Å; I183-S191 VanDerWaalsContact O-CA 3.24Å; I183-S191 WeakPolarHBondContact O-CA 3.47Å; I183-F192 PolarHBondContact N-O 2.68Å; I183-F192 PolarHBondContact O-N 3.42Å; I183-F194 HydrophobicContact CD1-CD2 4.19Å; I183-F194 HydrophobicContact CD1-CE2 3.82Å; I183-F194 HydrophobicContact CG1-CE2 4.48Å; I183-I220 HydrophobicContact CD1-CD1 3.31Å; I183-I220 HydrophobicContact CG1-CD1 3.86Å; I183-F235 HydrophobicContact CD1-CB 3.65Å; I183-F235 HydrophobicContact CD1-CD1 4.07Å; I183-F235 HydrophobicContact CD1-CD2 3.6Å; I183-F235 HydrophobicContact CD1-CE2 4.25Å; I183-F235 HydrophobicContact CD1-CG 3.49Å; I183-F235 VanDerWaalsContact CD1-CG 3.49Å; I183-F235 HydrophobicContact CG2-CD2 4.05Å; I183-F235 HydrophobicContact CG2-CE2 4.19Å
184F84Confident81.5Confident14 Ų1444.6 Ų44.66%0.06122%0.216CC..EExtended strand (participates in β ladder)trans-110.4119.3176.5-177.2-99.4000110.1V153 L154 Y172 V173 F186V153-F184 HydrophobicContact CG1-CD1 3.61Å; V153-F184 HydrophobicContact CG1-CE1 3.82Å; V153-F184 HydrophobicContact CG1-CG 4.21Å; L154-F184 HydrophobicContact CD1-CB 4.47Å; L154-F184 HydrophobicContact CD2-CB 4Å; L154-F184 HydrophobicContact CG-CB 4.29Å; Y172-F184 CarbonylContact C-O 3.54Å; Y172-F184 WeakPolarHBondContact CA-O 3.49Å; Y172-F184 WeakPolarHBondContact CB-O 3.44Å; V173-F184 PolarHBondContact N-O 3.13Å; V173-F184 PolarHBondContact O-N 2.79Å; F184-F186 HydrophobicContact CD1-CD1 4.05Å; F184-F186 HydrophobicContact CD1-CE1 4.17Å; F184-F186 HydrophobicContact CD1-CG 4.46Å; F184-F186 AromaticContact CE1-CD1 3.71Å; F184-F186 HydrophobicContact CE1-CD1 3.71Å; F184-F186 HydrophobicContact CE1-CE1 4.07Å; F184-F186 HydrophobicContact CE1-CG 4.36Å
185F83Confident81.1Confident15 Ų1548.3 Ų48.37%0.06624%0.241CC..EExtended strand (participates in β ladder)trans-90.9122.9171.9-75.7-86.9000110.2Y172 I183 K188 Q189 K190 F192 F235 D236Y172-F185 HydrophobicContact CD1-CD1 4.4Å; Y172-F185 AromaticContact CD1-CE1 3.92Å; Y172-F185 HydrophobicContact CD1-CE1 3.92Å; Y172-F185 HydrophobicContact CG-CD1 4.41Å; Y172-F185 HydrophobicContact CG-CE1 4.16Å; I183-F185 HydrophobicContact CG2-CD2 4.32Å; I183-F185 HydrophobicContact CG2-CE2 4.02Å; F185-K188 HydrophobicContact CB-CB 3.98Å; F185-Q189 WeakPolarHBondContact O-CA 2.97Å; F185-Q189 PolarHBondContact O-N 3.22Å; F185-K190 PolarHBondContact N-O 3.5Å; F185-K190 PolarHBondContact O-N 2.79Å; F185-F192 AromaticContact CD2-CD2 3.74Å; F185-F192 HydrophobicContact CD2-CD2 3.74Å; F185-F192 AromaticContact CD2-CE2 3.65Å; F185-F192 HydrophobicContact CD2-CE2 3.65Å; F185-F192 AromaticContact CE2-CD2 3.72Å; F185-F192 HydrophobicContact CE2-CD2 3.72Å; F185-F192 AromaticContact CE2-CE2 3.73Å; F185-F192 HydrophobicContact CE2-CE2 3.73Å; F185-F235 HydrophobicContact CE1-CE2 4.22Å; F185-F235 AromaticContact CE2-CD2 3.84Å; F185-F235 HydrophobicContact CE2-CD2 3.84Å; F185-F235 HydrophobicContact CE2-CE2 4.16Å; F185-F235 AromaticContact CZ-CD2 3.52Å; F185-F235 HydrophobicContact CZ-CD2 3.52Å; F185-F235 AromaticContact CZ-CE2 3.46Å; F185-F235 HydrophobicContact CZ-CE2 3.46Å; F185-F235 VanDerWaalsContact CZ-CE2 3.46Å; F185-D236 HydrophobicContact CE2-CB 4.44Å; F185-D236 HydrophobicContact CZ-CB 4.02Å
186F78.2Confident80.6Confident2 Ų249.3 Ų49.31%0.00925%0.247CC..THydrogen-bonded Turntrans-66.3-52.5-178.4-78.9-64.2000112.8H111 F116 V153 F166 G170 E171 V173 F184 K188 Q189 F832H111-F186 AromaticContact NE2-CD2 3.95Å; F116-F186 AromaticContact CE1-CE1 3.74Å; F116-F186 HydrophobicContact CE1-CE1 3.74Å; F116-F186 AromaticContact CE1-CZ 3.6Å; F116-F186 HydrophobicContact CE1-CZ 3.6Å; F116-F186 AromaticContact CZ-CE1 3.94Å; F116-F186 HydrophobicContact CZ-CE1 3.94Å; F116-F186 HydrophobicContact CZ-CE2 4.49Å; F116-F186 AromaticContact CZ-CZ 3.6Å; F116-F186 HydrophobicContact CZ-CZ 3.6Å; V153-F186 HydrophobicContact CG1-CE1 4.03Å; V153-F186 HydrophobicContact CG1-CZ 4.46Å; F166-F186 HydrophobicContact CD1-CE2 4.25Å; F166-F186 HydrophobicContact CE1-CE2 4.09Å; F166-F186 HydrophobicContact CE1-CZ 4.03Å; G170-F186 WeakPolarHBondContact O-CD2 2.93Å; G170-F186 WeakPolarHBondContact O-CE2 3.25Å; E171-F186 WeakPolarHBondContact O-CD2 3.48Å; E171-F186 PolarHBondContact O-N 3.15Å; E171-F186 VanDerWaalsContact O-N 3.07Å; V173-F186 HydrophobicContact CG2-CD2 4.45Å; V173-F186 HydrophobicContact CG2-CE2 3.36Å; V173-F186 HydrophobicContact CG2-CZ 3.42Å; V173-F186 VanDerWaalsContact CG2-CZ 3.42Å; F184-F186 HydrophobicContact CD1-CD1 4.05Å; F184-F186 HydrophobicContact CD1-CE1 4.17Å; F184-F186 HydrophobicContact CD1-CG 4.46Å; F184-F186 AromaticContact CE1-CD1 3.71Å; F184-F186 HydrophobicContact CE1-CD1 3.71Å; F184-F186 HydrophobicContact CE1-CE1 4.07Å; F184-F186 HydrophobicContact CE1-CG 4.36Å; F186-K188 VanDerWaalsContact C-N 3.25Å; F186-K188 PolarHBondContact O-N 3.28Å; F186-Q189 PolarHBondContact O-N 3.02Å; F186-F832 HydrophobicContact CB-CE1 3.94Å; F186-F832 HydrophobicContact CB-CE2 3.84Å; F186-F832 HydrophobicContact CB-CZ 3.36Å; F186-F832 HydrophobicContact CD1-CD2 4.25Å; F186-F832 AromaticContact CD1-CE2 3.37Å; F186-F832 HydrophobicContact CD1-CE2 3.37Å; F186-F832 AromaticContact CD1-CZ 3.83Å; F186-F832 HydrophobicContact CD1-CZ 3.83Å; F186-F832 HydrophobicContact CE1-CE2 4.21Å; F186-F832 AromaticContact CG-CE2 3.89Å; F186-F832 HydrophobicContact CG-CE2 3.89Å; F186-F832 AromaticContact CG-CZ 3.83Å; F186-F832 HydrophobicContact CG-CZ 3.83Å
187K75.9Confident80.1Confident134 Ų13457.7 Ų57.758%0.58328%0.283SS*.THydrogen-bonded Turntrans-59.7-33.7179-70.3178.7177167.90113.3E171E171-K187 IonicContact OE1-NZ 3.91Å; E171-K187 PolarHBondContact OE1-NZ 2.62Å
188K74.5Confident79.1Confident101 Ų10162.3 Ų62.344%0.43930%0.303SS..THydrogen-bonded Turntrans-95.5-12.3-175.3-67.9176.4174.5175.30113.3F185 F186 K190 D236F185-K188 HydrophobicContact CB-CB 3.98Å; F186-K188 VanDerWaalsContact C-N 3.25Å; F186-K188 PolarHBondContact O-N 3.28Å; K188-K190 HydrophobicContact CB-CB 4.36Å; K188-K190 WeakPolarHBondContact O-CG 3.29Å; K188-K190 PolarHBondContact O-N 3.15Å; K188-K190 VanDerWaalsContact O-N 3.15Å; K188-D236 IonicContact NZ-OD1 2.74Å; K188-D236 PolarHBondContact NZ-OD1 2.8Å; K188-D236 IonicContact NZ-OD2 3.14Å; K188-D236 PolarHBondContact NZ-OD2 3.33Å
189Q73.4Confident78.1Confident87 Ų8765.2 Ų65.241%0.40731%0.311SS..THydrogen-bonded Turntrans45.140.5-170.9-60.7-176.1-4.400112.7F185 F186F185-Q189 WeakPolarHBondContact O-CA 2.97Å; F185-Q189 PolarHBondContact O-N 3.22Å; F186-Q189 PolarHBondContact O-N 3.02Å
190K77.9Confident76.6Confident117 Ų11769.6 Ų69.651%0.50934%0.343SS..EExtended strand (participates in β ladder)trans-123130.5-178.1-79.4174.8-172.2171.30110F185 K188 F192F185-K190 PolarHBondContact N-O 3.5Å; F185-K190 PolarHBondContact O-N 2.79Å; K188-K190 HydrophobicContact CB-CB 4.36Å; K188-K190 WeakPolarHBondContact O-CG 3.29Å; K188-K190 PolarHBondContact O-N 3.15Å; K188-K190 VanDerWaalsContact O-N 3.15Å; K190-F192 HydrophobicContact CB-CE2 4.38Å
191S78.9Confident74.9Confident79 Ų7972.7 Ų72.755%0.55237%0.371SS*.EExtended strand (participates in β ladder)trans-95.7129.9169.760.60000110.7I183I183-S191 CarbonylContact O-C 3.51Å; I183-S191 VanDerWaalsContact O-CA 3.24Å; I183-S191 WeakPolarHBondContact O-CA 3.47Å
192F81.3Confident73.2Confident30 Ų3076.7 Ų76.713%0.13240%0.399CS..EExtended strand (participates in β ladder)trans-106.6140.1167.9-62.7-82.6000109.5Q182 I183 F185 K190 F194 K238Q182-F192 CarbonylContact C-O 3.48Å; Q182-F192 WeakPolarHBondContact CA-O 3.37Å; I183-F192 PolarHBondContact N-O 2.68Å; I183-F192 PolarHBondContact O-N 3.42Å; F185-F192 AromaticContact CD2-CD2 3.74Å; F185-F192 HydrophobicContact CD2-CD2 3.74Å; F185-F192 AromaticContact CD2-CE2 3.65Å; F185-F192 HydrophobicContact CD2-CE2 3.65Å; F185-F192 AromaticContact CE2-CD2 3.72Å; F185-F192 HydrophobicContact CE2-CD2 3.72Å; F185-F192 AromaticContact CE2-CE2 3.73Å; F185-F192 HydrophobicContact CE2-CE2 3.73Å; K190-F192 HydrophobicContact CB-CE2 4.38Å; F192-F194 HydrophobicContact CB-CE2 3.69Å; F192-F194 HydrophobicContact CB-CZ 3.87Å; F192-K238 HydrophobicContact CE1-CG 3.96Å
193R81.6Confident71.6Confident149 Ų14980.3 Ų80.356%0.56244%0.438SS*.EExtended strand (participates in β ladder)trans-125.6129.4-179.9-175.7179.6-70.9154.4-0.8109.6L181 Q182L181-R193 CarbonylContact O-C 3.58Å; L181-R193 WeakPolarHBondContact O-CA 3.13Å; Q182-R193 HydrophobicContact CG-CB 4.47Å; Q182-R193 HydrophobicContact CG-CG 4.11Å; Q182-R193 VanDerWaalsContact NE2-NE 3.11Å
194F81.3Confident70.3Confident29 Ų2986.5 Ų86.513%0.12746%0.461CS..EExtended strand (participates in β ladder)trans-123.9135.7178.9-54.4-77.5000108.9Q180 L181 I183 F192 W232 F235 Y241Q180-F194 CarbonylContact C-O 3.28Å; Q180-F194 WeakPolarHBondContact CA-O 3.22Å; L181-F194 HydrophobicContact CB-CB 4.42Å; L181-F194 HydrophobicContact CD2-CD2 4.49Å; L181-F194 PolarHBondContact N-O 3.34Å; L181-F194 PolarHBondContact O-N 2.95Å; I183-F194 HydrophobicContact CD1-CD2 4.19Å; I183-F194 HydrophobicContact CD1-CE2 3.82Å; I183-F194 HydrophobicContact CG1-CE2 4.48Å; F192-F194 HydrophobicContact CB-CE2 3.69Å; F192-F194 HydrophobicContact CB-CZ 3.87Å; F194-W232 HydrophobicContact CB-CZ3 4.24Å; F194-F235 HydrophobicContact CE2-CB 3.78Å; F194-F235 HydrophobicContact CZ-CB 3.8Å; F194-Y241 AromaticContact CD1-CD1 3.35Å; F194-Y241 HydrophobicContact CD1-CD1 3.35Å; F194-Y241 AromaticContact CD1-CE1 3.83Å; F194-Y241 HydrophobicContact CD1-CE1 3.83Å; F194-Y241 HydrophobicContact CD1-CG 4Å; F194-Y241 AromaticContact CE1-CD1 3.69Å; F194-Y241 HydrophobicContact CE1-CD1 3.69Å; F194-Y241 HydrophobicContact CE1-CG 4.24Å; F194-Y241 HydrophobicContact CG-CD1 4.35Å
195S78.5Confident69.5Low77 Ų7787.6 Ų87.654%0.53847%0.471SS..EExtended strand (participates in β ladder)trans-125.4133.4177.558.80000110V179V179-S195 WeakPolarHBondContact O-CA 3.44Å
196L76.6Confident69.4Low22 Ų2287.4 Ų87.412%0.11547%0.47CS..PPolyproline II helixtrans-86158.5168.4-73.5165.5000110.4V179 F208 H224 W232 Y243V179-L196 HydrophobicContact CG1-CB 3.97Å; V179-L196 WeakPolarHBondContact CG1-O 3.35Å; V179-L196 PolarHBondContact O-N 3.28Å; L196-F208 HydrophobicContact CD1-CE1 3.93Å; L196-F208 HydrophobicContact CD1-CE2 4.29Å; L196-F208 HydrophobicContact CD1-CZ 3.55Å; L196-F208 HydrophobicContact CG-CZ 4.21Å; L196-H224 VanDerWaalsContact CD1-CE1 3.43Å; L196-H224 WeakPolarHBondContact CD1-CE1 3.41Å; L196-W232 HydrophobicContact CD1-CH2 4.16Å; L196-W232 HydrophobicContact CD1-CZ2 3.89Å; L196-W232 HydrophobicContact CD2-CH2 3.95Å; L196-W232 HydrophobicContact CD2-CZ2 4.38Å; L196-W232 HydrophobicContact CG-CH2 3.91Å; L196-W232 HydrophobicContact CG-CZ2 4.17Å; L196-Y243 HydrophobicContact CD2-CE1 4.4Å
197K71.8Confident69.8Low177 Ų17788.7 Ų88.777%0.7748%0.479SS*.PPolyproline II helixtrans-80.2136.8171.3-66.7-175.9179.7-179.30109.4N199 N206K197-N199 PolarHBondContact O-N 2.79Å; K197-N206 PolarHBondContact O-ND2 3.36Å
198E61Low70.4Confident142 Ų14282.8 Ų82.866%0.66445%0.453SS*.PPolyproline II helixtrans-67.4118167.7-76.2177.7-176.300109.5V179 S200V179-E198 HydrophobicContact CG2-CG 3.99Å; E198-S200 PolarHBondContact O-N 2.8Å
199N58.6Low71Confident93 Ų9378.5 Ų78.550%0.49744%0.435SS..  trans-90.792.6172.8-78.4-8.4000109.2K197 C201K197-N199 PolarHBondContact O-N 2.79Å; N199-C201 PolarHBondContact O-N 2.78Å
200S49.9Very low71.8Confident113 Ų11374.4 Ų74.479%0.7942%0.416SS*.G310 helixtrans-68.7-14.5178.1179.10000113.9E198 S202E198-S200 PolarHBondContact O-N 2.8Å; S200-S202 VanDerWaalsContact C-N 3.26Å; S200-S202 PolarHBondContact O-N 3.48Å; S200-S202 VanDerWaalsContact O-N 3.08Å
201C48.2Very low72.5Confident137 Ų13769.2 Ų69.293%0.92639%0.394SS*.G310 helixtrans-70.6-4.6-170.7-65.50000116.5N199N199-C201 PolarHBondContact O-N 2.78Å
202S51Low73.2Confident85 Ų8565.8 Ų65.859%0.59437%0.371SS*.G310 helixtrans-128.58.5-176.368.60000115.5S200 R204S200-S202 VanDerWaalsContact C-N 3.26Å; S200-S202 PolarHBondContact O-N 3.48Å; S200-S202 VanDerWaalsContact O-N 3.08Å; S202-R204 PolarHBondContact O-N 3.19Å
203G51.4Low73.7Confident83 Ų8365 Ų6586%0.85637%0.369SS*.SBendtrans69.5-16-174.400000115
204R58.5Low74.2Confident131 Ų13158.1 Ų58.149%0.49434%0.343SS..  trans-100.8129.2176.1-63.4-179.8-179.1175-4.8111S202 H250S202-R204 PolarHBondContact O-N 3.19Å; R204-H250 PolarHBondContact NH1-O 3.49Å
205S68.1Low74.5Confident36 Ų3658.5 Ų58.525%0.25235%0.348SS..  trans-83.9155.2-175.696.10000111.8T207 E225S205-T207 PolarHBondContact O-N 3.11Å; S205-T207 WeakPolarHBondContact OG-CB 3.31Å; S205-T207 PolarHBondContact OG-N 3.37Å; S205-T207 PolarHBondContact OG-OG1 2.73Å; S205-E225 PolarHBondContact OG-OE2 2.88Å
206N80.4Confident74.8Confident11 Ų1158.9 Ų58.96%0.05935%0.347CS..  trans-85.625174-80.1-26.5000112.3K197 H224 D226K197-N206 PolarHBondContact O-ND2 3.36Å; N206-H224 PolarHBondContact O-ND1 3.15Å; N206-D226 PolarHBondContact OD1-OD2 3.15Å
207T86.1Confident75.3Confident30 Ų3060.8 Ų60.818%0.18436%0.358CS..  trans-67.3139.1-177.4-60.30000110.9S205 H224 E225S205-T207 PolarHBondContact O-N 3.11Å; S205-T207 WeakPolarHBondContact OG-CB 3.31Å; S205-T207 PolarHBondContact OG-N 3.37Å; S205-T207 PolarHBondContact OG-OG1 2.73Å; T207-H224 WeakPolarHBondContact O-CA 3.13Å; T207-E225 PolarHBondContact O-N 2.87Å; T207-E225 VanDerWaalsContact O-N 3.11Å
208F88.3Confident76Confident10 Ų1054.6 Ų54.64%0.04433%0.333CS..EExtended strand (participates in β ladder)trans-77.8131.3176.1-66.2-73.1000110.4T176 G178 V179 L181 L196 T222 H224 W232T176-F208 HydrophobicContact CG2-CB 3.75Å; T176-F208 HydrophobicContact CG2-CD1 4.04Å; T176-F208 HydrophobicContact CG2-CD2 3.96Å; T176-F208 HydrophobicContact CG2-CG 3.68Å; G178-F208 WeakPolarHBondContact O-CD2 3.39Å; G178-F208 PolarHBondContact O-N 3.5Å; V179-F208 VanDerWaalsContact C-CE2 3.5Å; V179-F208 WeakPolarHBondContact O-CE2 3.31Å; L181-F208 HydrophobicContact CB-CE2 4.15Å; L181-F208 HydrophobicContact CB-CZ 4.09Å; L196-F208 HydrophobicContact CD1-CE1 3.93Å; L196-F208 HydrophobicContact CD1-CE2 4.29Å; L196-F208 HydrophobicContact CD1-CZ 3.55Å; L196-F208 HydrophobicContact CG-CZ 4.21Å; F208-T222 HydrophobicContact CD1-CG2 4.13Å; F208-T222 HydrophobicContact CE1-CG2 3.92Å; F208-T222 WeakPolarHBondContact CE1-OG1 3.24Å; F208-H224 AromaticContact CD1-CE1 3.23Å; F208-H224 WeakPolarHBondContact CD1-CE1 3.24Å; F208-H224 AromaticContact CD1-ND1 3.73Å; F208-H224 AromaticContact CD1-NE2 3.83Å; F208-H224 AromaticContact CE1-CE1 3.08Å; F208-H224 WeakPolarHBondContact CE1-CE1 3.45Å; F208-H224 AromaticContact CE1-NE2 3.62Å; F208-H224 AromaticContact CZ-CE1 3.93Å; F208-W232 AromaticContact CE1-CZ2 3.97Å; F208-W232 HydrophobicContact CE1-CZ2 3.97Å; F208-W232 HydrophobicContact CZ-CH2 4.41Å; F208-W232 AromaticContact CZ-CZ2 3.8Å; F208-W232 HydrophobicContact CZ-CZ2 3.8Å
209T88.3Confident77.4Confident11 Ų1147.8 Ų47.87%0.06730%0.301CS..EExtended strand (participates in β ladder)trans-106.6-38.2-179.650.10000112.6G223 H224 E225 V253T209-G223 PolarHBondContact N-O 3.21Å; T209-G223 PolarHBondContact OG1-O 3.21Å; T209-G223 VanDerWaalsContact OG1-O 3.13Å; T209-H224 PolarHBondContact OG1-N 3.48Å; T209-E225 HydrophobicContact CG2-CG 3.59Å; T209-V253 VanDerWaalsContact CB-O 3.25Å; T209-V253 WeakPolarHBondContact CB-O 3.48Å; T209-V253 PolarHBondContact OG1-O 2.83Å
210C90.1Very high78.9Confident1 Ų143.4 Ų43.41%0.00728%0.278CS..EExtended strand (participates in β ladder)trans-151.1158.9-177.354.60000112.3A162 T222 G223A162-C210 HydrophobicContact CB-CB 4.05Å; A162-C210 CarbonylContact O-C 3.57Å; A162-C210 WeakPolarHBondContact O-CA 3.48Å; C210-T222 WeakPolarHBondContact O-CA 3.45Å; C210-G223 PolarHBondContact O-N 3.21Å
211V93.3Very high81Confident8 Ų838 Ų385%0.04824%0.24CC..EExtended strand (participates in β ladder)trans-136.6137.2-179.4-177.50000109.7A162 A165 A174 T176 I220 A221 T222A162-V211 PolarHBondContact O-N 3.33Å; A165-V211 HydrophobicContact CB-CG1 4.18Å; A174-V211 HydrophobicContact CB-CG1 3.91Å; T176-V211 HydrophobicContact CG2-CG2 3.22Å; T176-V211 VanDerWaalsContact OG1-CG2 3.27Å; T176-V211 WeakPolarHBondContact OG1-CG2 3.28Å; V211-I220 HydrophobicContact CG1-CG2 3.66Å; V211-A221 CarbonylContact C-O 3.59Å; V211-A221 WeakPolarHBondContact CA-O 3.33Å; V211-T222 HydrophobicContact CG2-CG2 4.33Å
212A92.8Very high83.1Confident7 Ų731.5 Ų31.56%0.05820%0.196CC..EExtended strand (participates in β ladder)trans-131.7134.2168.500000109.6A221 L256 F258A212-A221 HydrophobicContact CB-CB 4.43Å; A212-A221 PolarHBondContact N-O 3.25Å; A212-A221 PolarHBondContact O-N 3.14Å; A212-L256 HydrophobicContact CB-CB 3.93Å; A212-F258 HydrophobicContact CB-CD2 3.85Å; A212-F258 HydrophobicContact CB-CE2 4.22Å
213C92.3Very high85.1Confident13 Ų1327.4 Ų27.49%0.08817%0.168CC..EExtended strand (participates in β ladder)trans-101.1145.1175-64.70000110.2A165 F166 G167 Y172 F258A165-C213 HydrophobicContact CB-CB 4.28Å; F166-C213 WeakPolarHBondContact O-CB 3.45Å; G167-C213 VanDerWaalsContact CA-CB 3.44Å; Y172-C213 HydrophobicContact CE2-CB 4.37Å; C213-F258 VanDerWaalsContact C-CD2 3.49Å; C213-F258 VanDerWaalsContact O-CD2 3.32Å; C213-F258 WeakPolarHBondContact O-CD2 3.26Å
214H91.6Very high87Confident4 Ų423.5 Ų23.52%0.01913%0.127CC..  trans-72.3140.9174.1-169.1-75.4000110.4R168 T216 D217 C219 F258 G262 Y279R168-H214 PolarHBondContact N-O 3.42Å; H214-T216 PolarHBondContact CE1-OG1 3.37Å; H214-T216 PolarHBondContact ND1-N 3.32Å; H214-T216 VanDerWaalsContact ND1-N 3.13Å; H214-T216 PolarHBondContact ND1-OG1 2.99Å; H214-T216 PolarHBondContact O-N 3.05Å; H214-D217 HydrophobicContact CB-CB 4.5Å; H214-D217 PolarHBondContact ND1-N 2.99Å; H214-C219 HydrophobicContact CB-CB 3.98Å; H214-C219 WeakPolarHBondContact CB-O 3.3Å; H214-C219 PolarHBondContact N-O 3.38Å; H214-F258 HydrophobicContact CB-CD2 4.48Å; H214-F258 HydrophobicContact CB-CE2 4.3Å; H214-F258 HydrophobicContact CB-CZ 4.34Å; H214-F258 AromaticContact CD2-CD1 3.89Å; H214-F258 AromaticContact CD2-CE1 3.75Å; H214-G262 VanDerWaalsContact NE2-CA 3.26Å; H214-G262 WeakPolarHBondContact NE2-CA 3.35Å; H214-G262 PolarHBondContact NE2-O 3.38Å; H214-Y279 AromaticContact CD2-CZ 3.99Å; H214-Y279 AromaticContact NE2-CD1 3.89Å; H214-Y279 AromaticContact NE2-CE1 3.84Å
215P87.3Confident88.4Confident38 Ų3820.7 Ų20.725%0.24712%0.119CC..SBendtrans-67.9-33.8-175.523.4-33.8000114.1R168 A169 P260R168-P215 WeakPolarHBondContact CA-O 3.32Å; A169-P215 PolarHBondContact N-O 3.26Å; P215-P260 VanDerWaalsContact CG-O 3.23Å; P215-P260 WeakPolarHBondContact CG-O 3.3Å
216T86.1Confident89.3Confident84 Ų8419.7 Ų19.752%0.51511%0.111SC..SBendtrans-113.8-44.4-178.763.50000114.8R168 H214R168-T216 VanDerWaalsContact CG-O 3.29Å; R168-T216 WeakPolarHBondContact CG-O 3.26Å; R168-T216 PolarHBondContact NE-O 2.8Å; H214-T216 PolarHBondContact CE1-OG1 3.37Å; H214-T216 PolarHBondContact ND1-N 3.32Å; H214-T216 VanDerWaalsContact ND1-N 3.13Å; H214-T216 PolarHBondContact ND1-OG1 2.99Å; H214-T216 PolarHBondContact O-N 3.05Å
217D86.7Confident89.7Confident62 Ų6219.2 Ų19.233%0.33211%0.109SC..SBendtrans-83.9157.6-174.8-65.76.3000113.4H214 C219H214-D217 HydrophobicContact CB-CB 4.5Å; H214-D217 PolarHBondContact ND1-N 2.99Å; D217-C219 PolarHBondContact O-N 3.2Å
218D85.9Confident90Very high47 Ų4721.4 Ų21.425%0.25112%0.116SC..SBendtrans-77.168.5171.1-79.9-30.1000110.5R168 F235R168-D218 IonicContact CZ-OD1 3.76Å; R168-D218 IonicContact CZ-OD2 2.66Å; R168-D218 IonicContact NE-OD1 2.87Å; R168-D218 PolarHBondContact NE-OD1 2.88Å; R168-D218 IonicContact NH1-OD1 4Å; R168-D218 PolarHBondContact NH1-OD1 2.74Å; R168-D218 IonicContact NH1-OD2 3.9Å; R168-D218 PolarHBondContact NH1-OD2 2.92Å; R168-D218 IonicContact NH2-OD1 2.85Å; R168-D218 PolarHBondContact NH2-OD1 2.99Å; R168-D218 IonicContact NH2-OD2 3.25Å; R168-D218 PolarHBondContact NH2-OD2 3.06Å; D218-F235 HydrophobicContact CB-CE1 4.44Å; D218-F235 HydrophobicContact CB-CZ 4.13Å
219C89.6Confident90.2Very high0 Ų021 Ų210%011%0.114CC..  trans-135.7131.2-179.9-168.10000111.3H214 D217 W232 Y279H214-C219 HydrophobicContact CB-CB 3.98Å; H214-C219 WeakPolarHBondContact CB-O 3.3Å; H214-C219 PolarHBondContact N-O 3.38Å; D217-C219 PolarHBondContact O-N 3.2Å; C219-W232 WeakPolarHBondContact CA-O 3.48Å; C219-Y279 VanDerWaalsContact CB-OH 3.26Å; C219-Y279 WeakPolarHBondContact CB-OH 3.44Å; C219-Y279 PolarHBondContact SG-OH 3.08Å; C219-Y279 VanDerWaalsContact SG-OH 3.39Å
220I91.9Very high90.3Very high0 Ų021 Ų210%011%0.113CC..EExtended strand (participates in β ladder)trans-119.7126175.9-59.4167.1000107.8Y172 A174 I183 V211 T222 L231 W232 F235Y172-I220 HydrophobicContact CE2-CD1 3.89Å; Y172-I220 HydrophobicContact CE2-CG1 3.9Å; A174-I220 HydrophobicContact CB-CD1 3.96Å; A174-I220 HydrophobicContact CB-CG2 4.28Å; I183-I220 HydrophobicContact CD1-CD1 3.31Å; I183-I220 HydrophobicContact CG1-CD1 3.86Å; V211-I220 HydrophobicContact CG1-CG2 3.66Å; I220-T222 HydrophobicContact CG2-CG2 4.13Å; I220-L231 CarbonylContact O-C 3.47Å; I220-L231 WeakPolarHBondContact O-CA 3.39Å; I220-W232 HydrophobicContact CB-CB 4.32Å; I220-W232 PolarHBondContact N-O 3.02Å; I220-W232 VanDerWaalsContact N-O 3.12Å; I220-W232 PolarHBondContact O-N 2.85Å; I220-F235 HydrophobicContact CD1-CD1 4.02Å; I220-F235 HydrophobicContact CD1-CE1 3.65Å; I220-F235 HydrophobicContact CD1-CE2 4.15Å; I220-F235 HydrophobicContact CD1-CG 4.44Å; I220-F235 HydrophobicContact CD1-CZ 3.72Å; I220-F235 HydrophobicContact CG1-CE1 3.83Å; I220-F235 HydrophobicContact CG1-CZ 3.99Å
221A93.1Very high90.4Very high0 Ų021.7 Ų21.70%012%0.116CC..EExtended strand (participates in β ladder)trans-95.2133.3170.100000109.6V211 A212 R230 L231 L256 F258 L265V211-A221 CarbonylContact C-O 3.59Å; V211-A221 WeakPolarHBondContact CA-O 3.33Å; A212-A221 HydrophobicContact CB-CB 4.43Å; A212-A221 PolarHBondContact N-O 3.25Å; A212-A221 PolarHBondContact O-N 3.14Å; A221-R230 CarbonylContact C-O 3.54Å; A221-R230 WeakPolarHBondContact CA-O 3.35Å; A221-L231 HydrophobicContact CB-CD2 3.49Å; A221-L231 VanDerWaalsContact CB-CD2 3.49Å; A221-L256 HydrophobicContact CB-CD1 4.38Å; A221-F258 HydrophobicContact CB-CE2 3.68Å; A221-F258 HydrophobicContact CB-CZ 4Å; A221-L265 HydrophobicContact CB-CD1 4.03Å; A221-L265 HydrophobicContact CB-CD2 3.98Å
222T92.8Very high90.3Very high0 Ų021.5 Ų21.50%012%0.115CC..EExtended strand (participates in β ladder)trans-124.9132.7175.263.10000110.8L181 F208 C210 V211 I220 H224 I229 R230 W232L181-T222 HydrophobicContact CD1-CG2 4.4Å; L181-T222 HydrophobicContact CD2-CG2 4.43Å; F208-T222 HydrophobicContact CD1-CG2 4.13Å; F208-T222 HydrophobicContact CE1-CG2 3.92Å; F208-T222 WeakPolarHBondContact CE1-OG1 3.24Å; C210-T222 WeakPolarHBondContact O-CA 3.45Å; V211-T222 HydrophobicContact CG2-CG2 4.33Å; I220-T222 HydrophobicContact CG2-CG2 4.13Å; T222-H224 PolarHBondContact O-CD2 3.49Å; T222-H224 PolarHBondContact OG1-NE2 3.14Å; T222-H224 VanDerWaalsContact OG1-NE2 3.12Å; T222-I229 CarbonylContact O-C 3.58Å; T222-I229 WeakPolarHBondContact O-CA 3.15Å; T222-R230 PolarHBondContact N-O 3.06Å; T222-R230 PolarHBondContact O-N 3.16Å; T222-R230 PolarHBondContact OG1-O 2.94Å; T222-W232 PolarHBondContact OG1-NE1 3.38Å
223G92.4Very high90Very high0 Ų024.2 Ų24.20%012%0.123CC..EExtended strand (participates in β ladder)trans-93.7150172.900000110.5T209 C210T209-G223 PolarHBondContact N-O 3.21Å; T209-G223 PolarHBondContact OG1-O 3.21Å; T209-G223 VanDerWaalsContact OG1-O 3.13Å; C210-G223 PolarHBondContact O-N 3.21Å
224H90.8Very high89.5Confident0 Ų027.8 Ų27.80%014%0.141CC..EExtended strand (participates in β ladder)trans-132.5160.2-174.6-66-92.8000112.1L196 N206 T207 F208 T209 T222 D226 G227 K228 R230 V253L196-H224 VanDerWaalsContact CD1-CE1 3.43Å; L196-H224 WeakPolarHBondContact CD1-CE1 3.41Å; N206-H224 PolarHBondContact O-ND1 3.15Å; T207-H224 WeakPolarHBondContact O-CA 3.13Å; F208-H224 AromaticContact CD1-CE1 3.23Å; F208-H224 WeakPolarHBondContact CD1-CE1 3.24Å; F208-H224 AromaticContact CD1-ND1 3.73Å; F208-H224 AromaticContact CD1-NE2 3.83Å; F208-H224 AromaticContact CE1-CE1 3.08Å; F208-H224 WeakPolarHBondContact CE1-CE1 3.45Å; F208-H224 AromaticContact CE1-NE2 3.62Å; F208-H224 AromaticContact CZ-CE1 3.93Å; T209-H224 PolarHBondContact OG1-N 3.48Å; T222-H224 PolarHBondContact O-CD2 3.49Å; T222-H224 PolarHBondContact OG1-NE2 3.14Å; T222-H224 VanDerWaalsContact OG1-NE2 3.12Å; H224-D226 WeakPolarHBondContact CB-OD1 3.38Å; H224-D226 IonicContact CG-OD1 3.65Å; H224-D226 PolarHBondContact O-N 3.23Å; H224-G227 PolarHBondContact O-N 3.36Å; H224-K228 WeakPolarHBondContact CB-O 3.39Å; H224-K228 PolarHBondContact CD2-O 3.34Å; H224-K228 VanDerWaalsContact CD2-O 3.24Å; H224-K228 PolarHBondContact N-O 3.42Å; H224-R230 PolarHBondContact CD2-NH1 3.44Å; H224-R230 PolarHBondContact CE1-NH1 2.86Å; H224-R230 PolarHBondContact ND1-NH1 2.71Å; H224-R230 VanDerWaalsContact NE2-CD 3.32Å; H224-R230 WeakPolarHBondContact NE2-CD 3.48Å; H224-R230 WeakPolarHBondContact NE2-CG 3.34Å; H224-R230 PolarHBondContact NE2-NH1 3.22Å; H224-V253 PolarHBondContact O-N 2.97Å; H224-V253 VanDerWaalsContact O-N 3.11Å
225E88.9Confident88.9Confident72 Ų7227.8 Ų27.834%0.33614%0.141SC..THydrogen-bonded Turntrans-66.4-24.8172-68.4-176.5176.200113.1S205 T207 T209 G227 T252S205-E225 PolarHBondContact OG-OE2 2.88Å; T207-E225 PolarHBondContact O-N 2.87Å; T207-E225 VanDerWaalsContact O-N 3.11Å; T209-E225 HydrophobicContact CG2-CG 3.59Å; E225-G227 PolarHBondContact O-N 2.71Å; E225-T252 HydrophobicContact CB-CG2 4.01Å; E225-T252 HydrophobicContact CG-CG2 4.14Å
226D87.1Confident88Confident16 Ų1628.8 Ų28.89%0.08615%0.145CC..THydrogen-bonded Turntrans-73.5-0.7176.372.1-6.2000113.9N206 H224 K228 R230N206-D226 PolarHBondContact OD1-OD2 3.15Å; H224-D226 WeakPolarHBondContact CB-OD1 3.38Å; H224-D226 IonicContact CG-OD1 3.65Å; H224-D226 PolarHBondContact O-N 3.23Å; D226-K228 PolarHBondContact O-N 2.49Å; D226-K228 VanDerWaalsContact OD1-CB 3.26Å; D226-K228 WeakPolarHBondContact OD1-CB 3.25Å; D226-K228 PolarHBondContact OD1-N 2.98Å; D226-K228 WeakPolarHBondContact OD2-CD 3.29Å; D226-R230 IonicContact OD1-NH1 2.76Å; D226-R230 IonicContact OD2-CZ 3.61Å; D226-R230 IonicContact OD2-NH1 2.61Å; D226-R230 PolarHBondContact OD2-NH1 3.41Å; D226-R230 IonicContact OD2-NH2 3.26Å; D226-R230 PolarHBondContact OD2-NH2 2.92Å
227G88.3Confident87.1Confident0 Ų031.8 Ų31.80%015%0.153CC..SBendtrans76.56.5-177.300000114.7H224 E225 S251H224-G227 PolarHBondContact O-N 3.36Å; E225-G227 PolarHBondContact O-N 2.71Å; G227-S251 WeakPolarHBondContact CA-O 3.25Å
228K91.7Very high85.6Confident76 Ų7637.5 Ų37.533%0.3318%0.175SC..EExtended strand (participates in β ladder)trans-92.6147.5175.2-60.7177.5-174.51700110H224 D226 T245 H247H224-K228 WeakPolarHBondContact CB-O 3.39Å; H224-K228 PolarHBondContact CD2-O 3.34Å; H224-K228 VanDerWaalsContact CD2-O 3.24Å; H224-K228 PolarHBondContact N-O 3.42Å; D226-K228 PolarHBondContact O-N 2.49Å; D226-K228 VanDerWaalsContact OD1-CB 3.26Å; D226-K228 WeakPolarHBondContact OD1-CB 3.25Å; D226-K228 PolarHBondContact OD1-N 2.98Å; D226-K228 WeakPolarHBondContact OD2-CD 3.29Å; K228-T245 HydrophobicContact CB-CG2 3.86Å; K228-T245 HydrophobicContact CD-CG2 3.88Å; K228-T245 HydrophobicContact CG-CG2 4.09Å; K228-H247 HydrophobicContact CG-CB 4.41Å
229I93.3Very high84.1Confident1 Ų146.1 Ų46.11%0.00520%0.204CC..EExtended strand (participates in β ladder)trans-109.9128.1170.6-58.5163.9000106.7T222 T245 L246 V253 L256 L265 W277T222-I229 CarbonylContact O-C 3.58Å; T222-I229 WeakPolarHBondContact O-CA 3.15Å; I229-T245 CarbonylContact O-C 3.31Å; I229-T245 WeakPolarHBondContact O-CA 3.33Å; I229-L246 HydrophobicContact CB-CB 4.19Å; I229-L246 PolarHBondContact N-O 3.07Å; I229-L246 PolarHBondContact O-N 2.8Å; I229-V253 HydrophobicContact CD1-CG1 4.49Å; I229-V253 HydrophobicContact CG1-CG1 4.26Å; I229-V253 HydrophobicContact CG1-CG2 3.94Å; I229-L256 HydrophobicContact CD1-CD2 3.82Å; I229-L256 HydrophobicContact CG1-CD2 4.15Å; I229-L256 HydrophobicContact CG2-CD1 4.02Å; I229-L256 HydrophobicContact CG2-CD2 4.26Å; I229-L265 HydrophobicContact CG2-CD2 4.18Å; I229-W277 HydrophobicContact CD1-CZ2 4.12Å
230R91.6Very high82.8Confident13 Ų1354 Ų545%0.04924%0.241CC..EExtended strand (participates in β ladder)trans-112.4125.8-179.9-64-179.5178.585.90.5110.4A221 T222 H224 D226 Y243 R244A221-R230 CarbonylContact C-O 3.54Å; A221-R230 WeakPolarHBondContact CA-O 3.35Å; T222-R230 PolarHBondContact N-O 3.06Å; T222-R230 PolarHBondContact O-N 3.16Å; T222-R230 PolarHBondContact OG1-O 2.94Å; H224-R230 PolarHBondContact CD2-NH1 3.44Å; H224-R230 PolarHBondContact CE1-NH1 2.86Å; H224-R230 PolarHBondContact ND1-NH1 2.71Å; H224-R230 VanDerWaalsContact NE2-CD 3.32Å; H224-R230 WeakPolarHBondContact NE2-CD 3.48Å; H224-R230 WeakPolarHBondContact NE2-CG 3.34Å; H224-R230 PolarHBondContact NE2-NH1 3.22Å; D226-R230 IonicContact OD1-NH1 2.76Å; D226-R230 IonicContact OD2-CZ 3.61Å; D226-R230 IonicContact OD2-NH1 2.61Å; D226-R230 PolarHBondContact OD2-NH1 3.41Å; D226-R230 IonicContact OD2-NH2 3.26Å; D226-R230 PolarHBondContact OD2-NH2 2.92Å; R230-Y243 HydrophobicContact CB-CD2 4.06Å; R230-Y243 HydrophobicContact CG-CD2 3.89Å; R230-Y243 HydrophobicContact CG-CE2 4.21Å; R230-R244 CarbonylContact C-O 3.59Å; R230-R244 WeakPolarHBondContact CA-O 3.47Å
231L91.7Very high82Confident15 Ų1558.1 Ų58.18%0.07926%0.257CS..EExtended strand (participates in β ladder)trans-99.5110.3177-65.1-178.6000109.9I220 A221 Y243 R244 L246 F258 L265I220-L231 CarbonylContact O-C 3.47Å; I220-L231 WeakPolarHBondContact O-CA 3.39Å; A221-L231 HydrophobicContact CB-CD2 3.49Å; A221-L231 VanDerWaalsContact CB-CD2 3.49Å; L231-Y243 CarbonylContact O-C 3.58Å; L231-Y243 WeakPolarHBondContact O-CA 3.29Å; L231-R244 HydrophobicContact CB-CB 4.44Å; L231-R244 PolarHBondContact N-O 3.13Å; L231-R244 PolarHBondContact O-N 2.9Å; L231-L246 HydrophobicContact CD1-CD1 4.03Å; L231-L246 HydrophobicContact CD1-CG 4.46Å; L231-L246 HydrophobicContact CG-CD1 4.27Å; L231-F258 HydrophobicContact CD2-CZ 4.41Å; L231-L265 HydrophobicContact CD2-CD2 4.1Å
232W89.9Confident81.4Confident4 Ų461.7 Ų61.72%0.01528%0.279CS..EExtended strand (participates in β ladder)trans-92.2138-177.6-56.176.2000111.1L181 F194 L196 F208 C219 I220 T222 Y241 T242L181-W232 HydrophobicContact CD2-CD2 3.93Å; L181-W232 HydrophobicContact CD2-CE3 4.26Å; L181-W232 HydrophobicContact CD2-CG 4.16Å; F194-W232 HydrophobicContact CB-CZ3 4.24Å; L196-W232 HydrophobicContact CD1-CH2 4.16Å; L196-W232 HydrophobicContact CD1-CZ2 3.89Å; L196-W232 HydrophobicContact CD2-CH2 3.95Å; L196-W232 HydrophobicContact CD2-CZ2 4.38Å; L196-W232 HydrophobicContact CG-CH2 3.91Å; L196-W232 HydrophobicContact CG-CZ2 4.17Å; F208-W232 AromaticContact CE1-CZ2 3.97Å; F208-W232 HydrophobicContact CE1-CZ2 3.97Å; F208-W232 HydrophobicContact CZ-CH2 4.41Å; F208-W232 AromaticContact CZ-CZ2 3.8Å; F208-W232 HydrophobicContact CZ-CZ2 3.8Å; C219-W232 WeakPolarHBondContact CA-O 3.48Å; I220-W232 HydrophobicContact CB-CB 4.32Å; I220-W232 PolarHBondContact N-O 3.02Å; I220-W232 VanDerWaalsContact N-O 3.12Å; I220-W232 PolarHBondContact O-N 2.85Å; T222-W232 PolarHBondContact OG1-NE1 3.38Å; W232-Y241 AromaticContact CE3-CD2 3.59Å; W232-Y241 HydrophobicContact CE3-CD2 3.59Å; W232-Y241 HydrophobicContact CE3-CE2 4.12Å; W232-Y241 HydrophobicContact CE3-CG 4.17Å; W232-Y241 HydrophobicContact CH2-CD2 4.36Å; W232-Y241 HydrophobicContact CH2-CE2 4.04Å; W232-Y241 AromaticContact CZ3-CD2 3.26Å; W232-Y241 HydrophobicContact CZ3-CD2 3.26Å; W232-Y241 AromaticContact CZ3-CE2 3.32Å; W232-Y241 HydrophobicContact CZ3-CE2 3.32Å; W232-Y241 AromaticContact CZ3-CG 3.98Å; W232-Y241 HydrophobicContact CZ3-CG 3.98Å; W232-T242 WeakPolarHBondContact CA-O 3.39Å
233R87.5Confident81Confident64 Ų6466.4 Ų66.424%0.24230%0.297CS..EExtended strand (participates in β ladder)trans-139.1160.2175.3-67.6-175.6177.2158.1-1.9110.7T242 Y279R233-T242 PolarHBondContact N-O 3.29Å; R233-T242 PolarHBondContact O-N 2.8Å; R233-T242 VanDerWaalsContact O-N 3.12Å; R233-Y279 PolarHBondContact NH2-OH 3.13Å
234N81.4Confident80.8Confident87 Ų8772.4 Ų72.447%0.46532%0.32SS..  trans63.534.4175.9-58.6-20.6000115D236N234-D236 VanDerWaalsContact C-N 3.28Å; N234-D236 PolarHBondContact O-N 3.02Å
235F79.7Confident80.7Confident4 Ų475.8 Ų75.82%0.01834%0.341CS..THydrogen-bonded Turntrans-76.6-9.5179.544.5-93.9000114.7Y172 I183 F185 F194 D218 I220Y172-F235 HydrophobicContact CD1-CE2 4.43Å; Y172-F235 HydrophobicContact CD2-CE2 4.35Å; Y172-F235 HydrophobicContact CE1-CE2 4.24Å; Y172-F235 HydrophobicContact CE1-CZ 4.11Å; Y172-F235 HydrophobicContact CE2-CE2 4.16Å; Y172-F235 AromaticContact CE2-CZ 3.96Å; Y172-F235 HydrophobicContact CE2-CZ 3.96Å; Y172-F235 HydrophobicContact CG-CE2 4.49Å; Y172-F235 AromaticContact CZ-CZ 3.69Å; I183-F235 HydrophobicContact CD1-CB 3.65Å; I183-F235 HydrophobicContact CD1-CD1 4.07Å; I183-F235 HydrophobicContact CD1-CD2 3.6Å; I183-F235 HydrophobicContact CD1-CE2 4.25Å; I183-F235 HydrophobicContact CD1-CG 3.49Å; I183-F235 VanDerWaalsContact CD1-CG 3.49Å; I183-F235 HydrophobicContact CG2-CD2 4.05Å; I183-F235 HydrophobicContact CG2-CE2 4.19Å; F185-F235 HydrophobicContact CE1-CE2 4.22Å; F185-F235 AromaticContact CE2-CD2 3.84Å; F185-F235 HydrophobicContact CE2-CD2 3.84Å; F185-F235 HydrophobicContact CE2-CE2 4.16Å; F185-F235 AromaticContact CZ-CD2 3.52Å; F185-F235 HydrophobicContact CZ-CD2 3.52Å; F185-F235 AromaticContact CZ-CE2 3.46Å; F185-F235 HydrophobicContact CZ-CE2 3.46Å; F185-F235 VanDerWaalsContact CZ-CE2 3.46Å; F194-F235 HydrophobicContact CE2-CB 3.78Å; F194-F235 HydrophobicContact CZ-CB 3.8Å; D218-F235 HydrophobicContact CB-CE1 4.44Å; D218-F235 HydrophobicContact CB-CZ 4.13Å; I220-F235 HydrophobicContact CD1-CD1 4.02Å; I220-F235 HydrophobicContact CD1-CE1 3.65Å; I220-F235 HydrophobicContact CD1-CE2 4.15Å; I220-F235 HydrophobicContact CD1-CG 4.44Å; I220-F235 HydrophobicContact CD1-CZ 3.72Å; I220-F235 HydrophobicContact CG1-CE1 3.83Å; I220-F235 HydrophobicContact CG1-CZ 3.99Å
236D68.6Low80.8Confident60 Ų6073.2 Ų73.232%0.32133%0.329SS..THydrogen-bonded Turntrans-78.1-23.8176.6-168.920.6000112.8F185 K188 N234F185-D236 HydrophobicContact CE2-CB 4.44Å; F185-D236 HydrophobicContact CZ-CB 4.02Å; K188-D236 IonicContact NZ-OD1 2.74Å; K188-D236 PolarHBondContact NZ-OD1 2.8Å; K188-D236 IonicContact NZ-OD2 3.14Å; K188-D236 PolarHBondContact NZ-OD2 3.33Å; N234-D236 VanDerWaalsContact C-N 3.28Å; N234-D236 PolarHBondContact O-N 3.02Å
237Q66.1Low80.9Confident147 Ų14777.8 Ų77.869%0.68735%0.35SS*.SBendtrans-94124.1179-65.6-176.612.200110.4R239Q237-R239 PolarHBondContact O-N 2.82Å
238K55.6Low81.1Confident181 Ų18181.5 Ų81.579%0.78736%0.364SS*.THydrogen-bonded Turntrans-58.8-0.5-175.6-84.2-173.6174.4-173.70116.4F192F192-K238 HydrophobicContact CE1-CG 3.96Å
239R54.4Low81Confident229 Ų22978 Ų7886%0.86435%0.348SS*.THydrogen-bonded Turntrans-117.9-18.2-164-102.4-177.7171.2-179.8-3.5118.7Q237Q237-R239 PolarHBondContact O-N 2.82Å
240E62.2Low80.7Confident166 Ų16682.8 Ų82.878%0.77637%0.371SS*.  trans-171.6120169.7-106.9151.1-14400109.1
241Y74.3Confident80.5Confident86 Ų8683.6 Ų83.634%0.33738%0.378SS..  trans-81.3144.5165.760-91000108.2F194 W232 Y243F194-Y241 AromaticContact CD1-CD1 3.35Å; F194-Y241 HydrophobicContact CD1-CD1 3.35Å; F194-Y241 AromaticContact CD1-CE1 3.83Å; F194-Y241 HydrophobicContact CD1-CE1 3.83Å; F194-Y241 HydrophobicContact CD1-CG 4Å; F194-Y241 AromaticContact CE1-CD1 3.69Å; F194-Y241 HydrophobicContact CE1-CD1 3.69Å; F194-Y241 HydrophobicContact CE1-CG 4.24Å; F194-Y241 HydrophobicContact CG-CD1 4.35Å; W232-Y241 AromaticContact CE3-CD2 3.59Å; W232-Y241 HydrophobicContact CE3-CD2 3.59Å; W232-Y241 HydrophobicContact CE3-CE2 4.12Å; W232-Y241 HydrophobicContact CE3-CG 4.17Å; W232-Y241 HydrophobicContact CH2-CD2 4.36Å; W232-Y241 HydrophobicContact CH2-CE2 4.04Å; W232-Y241 AromaticContact CZ3-CD2 3.26Å; W232-Y241 HydrophobicContact CZ3-CD2 3.26Å; W232-Y241 AromaticContact CZ3-CE2 3.32Å; W232-Y241 HydrophobicContact CZ3-CE2 3.32Å; W232-Y241 AromaticContact CZ3-CG 3.98Å; W232-Y241 HydrophobicContact CZ3-CG 3.98Å; Y241-Y243 HydrophobicContact CD2-CD1 4.12Å; Y241-Y243 AromaticContact CE2-CD1 3.84Å; Y241-Y243 HydrophobicContact CE2-CD1 3.84Å; Y241-Y243 HydrophobicContact CE2-CE1 4.19Å
242T81.6Confident80.4Confident74 Ų7484.8 Ų84.845%0.45439%0.386SS..EExtended strand (participates in β ladder)trans-112.2134.3170.656.20000107.9W232 R233W232-T242 WeakPolarHBondContact CA-O 3.39Å; R233-T242 PolarHBondContact N-O 3.29Å; R233-T242 PolarHBondContact O-N 2.8Å; R233-T242 VanDerWaalsContact O-N 3.12Å
243Y84.8Confident80.6Confident100 Ų10084.6 Ų84.639%0.39239%0.386SS..EExtended strand (participates in β ladder)trans-125.5141.9169.773.3-89000111.2L196 R230 L231 Y241L196-Y243 HydrophobicContact CD2-CE1 4.4Å; R230-Y243 HydrophobicContact CB-CD2 4.06Å; R230-Y243 HydrophobicContact CG-CD2 3.89Å; R230-Y243 HydrophobicContact CG-CE2 4.21Å; L231-Y243 CarbonylContact O-C 3.58Å; L231-Y243 WeakPolarHBondContact O-CA 3.29Å; Y241-Y243 HydrophobicContact CD2-CD1 4.12Å; Y241-Y243 AromaticContact CE2-CD1 3.84Å; Y241-Y243 HydrophobicContact CE2-CD1 3.84Å; Y241-Y243 HydrophobicContact CE2-CE1 4.19Å
244R86.6Confident80.8Confident126 Ų12687.2 Ų87.248%0.47540%0.395SS..EExtended strand (participates in β ladder)trans-104.6151169.6-65.1-173.1-178.3-173.80.1109.4R230 L231 E282R230-R244 CarbonylContact C-O 3.59Å; R230-R244 WeakPolarHBondContact CA-O 3.47Å; L231-R244 HydrophobicContact CB-CB 4.44Å; L231-R244 PolarHBondContact N-O 3.13Å; L231-R244 PolarHBondContact O-N 2.9Å; R244-E282 WeakPolarHBondContact CD-OE1 3.35Å; R244-E282 IonicContact CZ-OE1 2.71Å; R244-E282 IonicContact NE-OE1 3.63Å; R244-E282 IonicContact NH1-OE1 2.86Å; R244-E282 PolarHBondContact NH1-OE1 3.48Å
245T90.2Very high81.3Confident71 Ų7183.3 Ų83.344%0.43638%0.375SS..EExtended strand (participates in β ladder)trans-114.9123.1-177.7-56.40000109.8K228 I229K228-T245 HydrophobicContact CB-CG2 3.86Å; K228-T245 HydrophobicContact CD-CG2 3.88Å; K228-T245 HydrophobicContact CG-CG2 4.09Å; I229-T245 CarbonylContact O-C 3.31Å; I229-T245 WeakPolarHBondContact O-CA 3.33Å
246L90.9Very high82Confident18 Ų1883.9 Ų83.99%0.09438%0.378CS..EExtended strand (participates in β ladder)trans-100.8135166.9-53.5172.3000107.9I229 L231 L265 W277I229-L246 HydrophobicContact CB-CB 4.19Å; I229-L246 PolarHBondContact N-O 3.07Å; I229-L246 PolarHBondContact O-N 2.8Å; L231-L246 HydrophobicContact CD1-CD1 4.03Å; L231-L246 HydrophobicContact CD1-CG 4.46Å; L231-L246 HydrophobicContact CG-CD1 4.27Å; L246-L265 HydrophobicContact CD1-CD2 4.32Å; L246-W277 HydrophobicContact CB-CE3 4.28Å; L246-W277 HydrophobicContact CB-CH2 4.02Å; L246-W277 HydrophobicContact CB-CZ2 4.35Å; L246-W277 HydrophobicContact CB-CZ3 4.01Å; L246-W277 HydrophobicContact CD1-CB 4.49Å; L246-W277 HydrophobicContact CD1-CD2 4.03Å; L246-W277 HydrophobicContact CD1-CE3 4.1Å; L246-W277 HydrophobicContact CD1-CG 4.22Å; L246-W277 HydrophobicContact CD2-CE3 4.3Å; L246-W277 HydrophobicContact CD2-CZ3 4.39Å; L246-W277 HydrophobicContact CG-CE3 4.47Å
247H89.6Confident83.2Confident111 Ų11182.3 Ų82.351%0.51437%0.372SS..EExtended strand (participates in β ladder)trans-139.1123.2-177.5-175.151.5000110.3K228 H249K228-H247 HydrophobicContact CG-CB 4.41Å; H247-H249 PolarHBondContact CE1-O 3.37Å; H247-H249 VanDerWaalsContact CE1-O 3.28Å
248W91.4Very high84.5Confident79 Ų7976 Ų7630%0.29934%0.342SS..  trans-151.4-45.8174.1-179.287.7000109.6H250 E271 V273 V275 W277W248-H250 PolarHBondContact O-N 3.13Å; W248-E271 WeakPolarHBondContact CZ3-OE2 3.19Å; W248-V273 HydrophobicContact CH2-CB 3.68Å; W248-V273 HydrophobicContact CH2-CG1 3.56Å; W248-V273 HydrophobicContact CH2-CG2 3.96Å; W248-V273 HydrophobicContact CZ2-CG1 4.22Å; W248-V273 HydrophobicContact CZ3-CB 4.1Å; W248-V273 HydrophobicContact CZ3-CG1 4.21Å; W248-V275 HydrophobicContact CD2-CG2 3.84Å; W248-V275 HydrophobicContact CE3-CG2 3.45Å; W248-V275 VanDerWaalsContact CE3-CG2 3.45Å; W248-V275 HydrophobicContact CH2-CG2 3.91Å; W248-V275 HydrophobicContact CZ2-CG2 4.23Å; W248-V275 HydrophobicContact CZ3-CG2 3.49Å; W248-V275 VanDerWaalsContact CZ3-CG2 3.49Å; W248-W277 HydrophobicContact CB-CH2 3.52Å; W248-W277 HydrophobicContact CB-CZ2 3.74Å
249H89.9Confident86.3Confident1 Ų167.8 Ų67.81%0.00531%0.307CS..  trans-61.3130.5175.3-60.1-80000110.5H247 V253 S267 E271H247-H249 PolarHBondContact CE1-O 3.37Å; H247-H249 VanDerWaalsContact CE1-O 3.28Å; H249-V253 HydrophobicContact CB-CG2 4.07Å; H249-S267 PolarHBondContact NE2-OG 2.83Å; H249-E271 WeakPolarHBondContact CA-OE1 3.39Å
250H87.6Confident87.9Confident103 Ų10359.4 Ų59.448%0.47728%0.282SS..SBendtrans-84.1-22.4174.276.766.4000112.3R204 W248 E271R204-H250 PolarHBondContact NH1-O 3.49Å; W248-H250 PolarHBondContact O-N 3.13Å; H250-E271 WeakPolarHBondContact CD2-CG 3.41Å; H250-E271 IonicContact CD2-OE1 3.88Å; H250-E271 PolarHBondContact CD2-OE1 3.29Å; H250-E271 IonicContact CD2-OE2 3.2Å; H250-E271 IonicContact CE1-OE1 3.23Å; H250-E271 IonicContact CG-OE1 3.2Å; H250-E271 PolarHBondContact N-OE1 3.05Å; H250-E271 IonicContact ND1-OE1 3.19Å; H250-E271 WeakPolarHBondContact NE2-CG 3.37Å; H250-E271 IonicContact NE2-OE1 3.81Å; H250-E271 PolarHBondContact NE2-OE1 3.45Å
251S87.5Confident89.2Confident29 Ų2958.8 Ų58.820%0.20328%0.279CS..SBendtrans-120.3-174.6-179.3-164.80000111.4G227 V253 E271G227-S251 WeakPolarHBondContact CA-O 3.25Å; S251-V253 PolarHBondContact O-N 3.33Å; S251-E271 PolarHBondContact N-OE1 3.05Å
252T89.4Confident89.9Confident41 Ų4154.8 Ų54.825%0.25226%0.264SS..  trans-55.9132.2-17873.40000111.7E225E225-T252 HydrophobicContact CB-CG2 4.01Å; E225-T252 HydrophobicContact CG-CG2 4.14Å
253V92.6Very high90.3Very high0 Ų053.6 Ų53.60%026%0.259CS..EExtended strand (participates in β ladder)trans-81117.9171.5-175.60000107.5T209 H224 I229 H249 S251 L256T209-V253 VanDerWaalsContact CB-O 3.25Å; T209-V253 WeakPolarHBondContact CB-O 3.48Å; T209-V253 PolarHBondContact OG1-O 2.83Å; H224-V253 PolarHBondContact O-N 2.97Å; H224-V253 VanDerWaalsContact O-N 3.11Å; I229-V253 HydrophobicContact CD1-CG1 4.49Å; I229-V253 HydrophobicContact CG1-CG1 4.26Å; I229-V253 HydrophobicContact CG1-CG2 3.94Å; H249-V253 HydrophobicContact CB-CG2 4.07Å; S251-V253 PolarHBondContact O-N 3.33Å; V253-L256 HydrophobicContact CG1-CD1 4.49Å; V253-L256 HydrophobicContact CG1-CD2 3.94Å; V253-L256 HydrophobicContact CG1-CG 3.97Å
254R91.6Very high90.7Very high119 Ų11950 Ų5045%0.44925%0.247SC..EExtended strand (participates in β ladder)trans-94.4-34.7-172-165.962.3170.5169.1-1112.8G268 I295R254-G268 PolarHBondContact N-O 2.95Å; R254-I295 VanDerWaalsContact CB-O 3.31Å; R254-I295 WeakPolarHBondContact CB-O 3.43Å
255A92.4Very high91Very high5 Ų544.2 Ų44.24%0.04123%0.225CC..EExtended strand (participates in β ladder)trans-137.4143.3-178.600000111.6S267 G268 I298A255-S267 WeakPolarHBondContact O-CA 3.41Å; A255-G268 PolarHBondContact N-O 3.26Å; A255-G268 PolarHBondContact O-N 3.49Å; A255-I298 HydrophobicContact CB-CB 4.25Å; A255-I298 HydrophobicContact CB-CD1 3.95Å; A255-I298 HydrophobicContact CB-CG1 3.77Å
256L94.6Very high91.2Very high16 Ų1640.8 Ų40.88%0.08420%0.204CC..EExtended strand (participates in β ladder)trans-137.3138.7172.9-72.5174.7000108.8A212 A221 I229 V253 L265 L266A212-L256 HydrophobicContact CB-CB 3.93Å; A221-L256 HydrophobicContact CB-CD1 4.38Å; I229-L256 HydrophobicContact CD1-CD2 3.82Å; I229-L256 HydrophobicContact CG1-CD2 4.15Å; I229-L256 HydrophobicContact CG2-CD1 4.02Å; I229-L256 HydrophobicContact CG2-CD2 4.26Å; V253-L256 HydrophobicContact CG1-CD1 4.49Å; V253-L256 HydrophobicContact CG1-CD2 3.94Å; V253-L256 HydrophobicContact CG1-CG 3.97Å; L256-L265 HydrophobicContact CD2-CD1 4.42Å; L256-L266 WeakPolarHBondContact CA-O 3.32Å
257C93.7Very high91.4Very high27 Ų2740 Ų4018%0.18220%0.2CC..EExtended strand (participates in β ladder)trans-149.6135176.3-168.80000110.1L266 I298 V300C257-L266 PolarHBondContact N-O 2.87Å; C257-L266 PolarHBondContact O-N 2.77Å; C257-I298 HydrophobicContact CB-CB 4.22Å; C257-I298 HydrophobicContact CB-CG2 3.92Å; C257-V300 HydrophobicContact CB-CG2 4.44Å
258F93.5Very high91.6Very high15 Ų1534.7 Ų34.77%0.06618%0.175CC..EExtended strand (participates in β ladder)trans-85.4146169.6-82.3-80.8000109.9A212 C213 H214 A221 L231 L265 Y279A212-F258 HydrophobicContact CB-CD2 3.85Å; A212-F258 HydrophobicContact CB-CE2 4.22Å; C213-F258 VanDerWaalsContact C-CD2 3.49Å; C213-F258 VanDerWaalsContact O-CD2 3.32Å; C213-F258 WeakPolarHBondContact O-CD2 3.26Å; H214-F258 HydrophobicContact CB-CD2 4.48Å; H214-F258 HydrophobicContact CB-CE2 4.3Å; H214-F258 HydrophobicContact CB-CZ 4.34Å; H214-F258 AromaticContact CD2-CD1 3.89Å; H214-F258 AromaticContact CD2-CE1 3.75Å; A221-F258 HydrophobicContact CB-CE2 3.68Å; A221-F258 HydrophobicContact CB-CZ 4Å; L231-F258 HydrophobicContact CD2-CZ 4.41Å; F258-L265 HydrophobicContact CD1-CB 4.07Å; F258-L265 HydrophobicContact CD1-CD1 4.12Å; F258-L265 HydrophobicContact CD2-CD1 3.94Å; F258-L265 HydrophobicContact CE1-CB 3.83Å; F258-L265 HydrophobicContact CE1-CD1 4.02Å; F258-L265 HydrophobicContact CE1-CG 4.41Å; F258-L265 HydrophobicContact CE2-CD1 3.85Å; F258-L265 HydrophobicContact CG-CD1 4.08Å; F258-L265 HydrophobicContact CZ-CB 4.38Å; F258-L265 HydrophobicContact CZ-CD1 3.89Å; F258-L265 HydrophobicContact CZ-CD2 4.49Å; F258-L265 HydrophobicContact CZ-CG 4.49Å; F258-Y279 HydrophobicContact CE1-CD2 4.06Å; F258-Y279 HydrophobicContact CE1-CE2 4.32Å
259T92.9Very high91.5Very high7 Ų731 Ų314%0.04316%0.161CC..  trans-63.3149.5165.553.60000110.4E261 G262 S263 N264 F307T259-E261 PolarHBondContact O-N 2.79Å; T259-E261 VanDerWaalsContact O-N 3.13Å; T259-G262 WeakPolarHBondContact O-CA 3.26Å; T259-G262 PolarHBondContact O-N 3.26Å; T259-S263 PolarHBondContact OG1-N 2.87Å; T259-N264 HydrophobicContact CG2-CB 3.87Å; T259-N264 PolarHBondContact N-O 2.71Å; T259-N264 PolarHBondContact OG1-N 3.25Å; T259-N264 VanDerWaalsContact OG1-N 3.1Å; T259-N264 PolarHBondContact OG1-O 2.95Å; T259-F307 HydrophobicContact CG2-CE1 4.1Å; T259-F307 HydrophobicContact CG2-CZ 4.24Å
260P89.3Confident91.4Very high54 Ų5432.6 Ų32.635%0.35117%0.171SC..THydrogen-bonded Turntrans-54.3-32.7178.7-26.330.9000114.3P215 G262 V300 S301P215-P260 VanDerWaalsContact CG-O 3.23Å; P215-P260 WeakPolarHBondContact CG-O 3.3Å; P260-G262 VanDerWaalsContact C-N 3.29Å; P260-G262 PolarHBondContact O-N 2.72Å; P260-V300 HydrophobicContact CG-CG1 4.09Å; P260-S301 VanDerWaalsContact CG-O 3.25Å; P260-S301 WeakPolarHBondContact CG-O 3.41Å
261E88.8Confident91.3Very high152 Ų15229.3 Ų29.371%0.7116%0.156SC*.THydrogen-bonded Turntrans-74.7-16.5175.5-60.4-172.3160.500113.7T259 S263T259-E261 PolarHBondContact O-N 2.79Å; T259-E261 VanDerWaalsContact O-N 3.13Å; E261-S263 PolarHBondContact O-N 2.9Å
262G88.5Confident91.4Very high2 Ų229.2 Ų29.22%0.02116%0.155CC..SBendtrans76.31.2-173.200000115.4H214 T259 P260 N264 Y279H214-G262 VanDerWaalsContact NE2-CA 3.26Å; H214-G262 WeakPolarHBondContact NE2-CA 3.35Å; H214-G262 PolarHBondContact NE2-O 3.38Å; T259-G262 WeakPolarHBondContact O-CA 3.26Å; T259-G262 PolarHBondContact O-N 3.26Å; P260-G262 VanDerWaalsContact C-N 3.29Å; P260-G262 PolarHBondContact O-N 2.72Å; G262-N264 PolarHBondContact O-N 3.24Å; G262-Y279 WeakPolarHBondContact O-CB 3.42Å
263S90.9Very high91.5Very high49 Ų4928 Ų2834%0.34315%0.148SC..SBendtrans-67.3-34-177.357.20000113.3T259 E261 Y279T259-S263 PolarHBondContact OG1-N 2.87Å; E261-S263 PolarHBondContact O-N 2.9Å; S263-Y279 WeakPolarHBondContact O-CB 3.33Å; S263-Y279 PolarHBondContact O-N 3.27Å
264N92.2Very high91.6Very high25 Ų2528.1 Ų28.113%0.13415%0.149CC..EExtended strand (participates in β ladder)trans-131.2150-177.7-58.4-60.2000112.8T259 G262 Q276 W277T259-N264 HydrophobicContact CG2-CB 3.87Å; T259-N264 PolarHBondContact N-O 2.71Å; T259-N264 PolarHBondContact OG1-N 3.25Å; T259-N264 VanDerWaalsContact OG1-N 3.1Å; T259-N264 PolarHBondContact OG1-O 2.95Å; G262-N264 PolarHBondContact O-N 3.24Å; N264-Q276 HydrophobicContact CB-CG 3.89Å; N264-Q276 VanDerWaalsContact CG-NE2 3.25Å; N264-Q276 PolarHBondContact ND2-NE2 2.83Å; N264-W277 CarbonylContact C-O 3.41Å; N264-W277 VanDerWaalsContact CA-O 3.31Å; N264-W277 WeakPolarHBondContact CA-O 3.45Å
265L93.8Very high91.7Very high4 Ų422.5 Ų22.52%0.02113%0.127CC..EExtended strand (participates in β ladder)trans-109.9126.3169173.369.8000109A221 I229 L231 L246 L256 F258 W277A221-L265 HydrophobicContact CB-CD1 4.03Å; A221-L265 HydrophobicContact CB-CD2 3.98Å; I229-L265 HydrophobicContact CG2-CD2 4.18Å; L231-L265 HydrophobicContact CD2-CD2 4.1Å; L246-L265 HydrophobicContact CD1-CD2 4.32Å; L256-L265 HydrophobicContact CD2-CD1 4.42Å; F258-L265 HydrophobicContact CD1-CB 4.07Å; F258-L265 HydrophobicContact CD1-CD1 4.12Å; F258-L265 HydrophobicContact CD2-CD1 3.94Å; F258-L265 HydrophobicContact CE1-CB 3.83Å; F258-L265 HydrophobicContact CE1-CD1 4.02Å; F258-L265 HydrophobicContact CE1-CG 4.41Å; F258-L265 HydrophobicContact CE2-CD1 3.85Å; F258-L265 HydrophobicContact CG-CD1 4.08Å; F258-L265 HydrophobicContact CZ-CB 4.38Å; F258-L265 HydrophobicContact CZ-CD1 3.89Å; F258-L265 HydrophobicContact CZ-CD2 4.49Å; F258-L265 HydrophobicContact CZ-CG 4.49Å; L265-W277 HydrophobicContact CB-CB 4.2Å; L265-W277 PolarHBondContact N-O 3.08Å; L265-W277 VanDerWaalsContact O-CD1 3.28Å; L265-W277 PolarHBondContact O-N 2.86Å
266L94.4Very high91.8Very high0 Ų022.9 Ų22.90%013%0.129CC..EExtended strand (participates in β ladder)trans-96.3141.7174.4-59.4178.7000110L256 C257 L274 V275 Q276 I298 V300 F307L256-L266 WeakPolarHBondContact CA-O 3.32Å; C257-L266 PolarHBondContact N-O 2.87Å; C257-L266 PolarHBondContact O-N 2.77Å; L266-L274 HydrophobicContact CB-CD1 4.27Å; L266-V275 CarbonylContact C-O 3.48Å; L266-V275 WeakPolarHBondContact CA-O 3.18Å; L266-Q276 HydrophobicContact CD2-CB 3.84Å; L266-Q276 HydrophobicContact CD2-CG 3.87Å; L266-I298 HydrophobicContact CB-CD1 4.42Å; L266-I298 HydrophobicContact CB-CG2 4.12Å; L266-I298 HydrophobicContact CD1-CG2 3.95Å; L266-V300 HydrophobicContact CD1-CG2 3.6Å; L266-F307 HydrophobicContact CD1-CB 4.19Å; L266-F307 HydrophobicContact CD1-CD1 3.82Å; L266-F307 HydrophobicContact CD1-CD2 4Å; L266-F307 HydrophobicContact CD1-CE1 4.19Å; L266-F307 HydrophobicContact CD1-CE2 4.33Å; L266-F307 HydrophobicContact CD1-CG 3.73Å; L266-F307 HydrophobicContact CD1-CZ 4.43Å; L266-F307 HydrophobicContact CD2-CD2 4.35Å; L266-F307 HydrophobicContact CD2-CE2 4.2Å
267S94.7Very high91.7Very high0 Ų022.8 Ų22.80%013%0.127CC..EExtended strand (participates in β ladder)trans-140.9143.5177.266.70000112.1H249 A255 V275 W277H249-S267 PolarHBondContact NE2-OG 2.83Å; A255-S267 WeakPolarHBondContact O-CA 3.41Å; S267-V275 PolarHBondContact N-O 3.37Å; S267-V275 PolarHBondContact O-N 3.28Å; S267-V275 WeakPolarHBondContact OG-CB 3.44Å; S267-V275 PolarHBondContact OG-O 2.88Å; S267-W277 PolarHBondContact OG-NE1 3.39Å
268G93.4Very high91.6Very high0 Ų026.1 Ų26.10%014%0.136CC..EExtended strand (participates in β ladder)trans-144.1151.417900000111.9R254 A255R254-G268 PolarHBondContact N-O 2.95Å; A255-G268 PolarHBondContact N-O 3.26Å; A255-G268 PolarHBondContact O-N 3.49Å
269G90.5Very high91.2Very high1 Ų126.8 Ų26.81%0.0114%0.138CC..EExtended strand (participates in β ladder)trans-153.6-160.4-178.300000112.8E271 S272 I295G269-E271 PolarHBondContact O-N 2.96Å; G269-S272 PolarHBondContact O-N 2.79Å; G269-I295 PolarHBondContact O-N 3.44Å
270V88Confident90.6Very high35 Ų3533.4 Ų33.421%0.21217%0.169CC..THydrogen-bonded Turntrans-63.9-25.7-177.4-176.80000112.5S272V270-S272 PolarHBondContact O-N 3.07Å
271E85.8Confident90.3Very high35 Ų3535.9 Ų35.916%0.16418%0.175CC..THydrogen-bonded Turntrans-66-8.8-176.8-72.9162-137.700114.8W248 H249 H250 S251 G269 V273W248-E271 WeakPolarHBondContact CZ3-OE2 3.19Å; H249-E271 WeakPolarHBondContact CA-OE1 3.39Å; H250-E271 WeakPolarHBondContact CD2-CG 3.41Å; H250-E271 IonicContact CD2-OE1 3.88Å; H250-E271 PolarHBondContact CD2-OE1 3.29Å; H250-E271 IonicContact CD2-OE2 3.2Å; H250-E271 IonicContact CE1-OE1 3.23Å; H250-E271 IonicContact CG-OE1 3.2Å; H250-E271 PolarHBondContact N-OE1 3.05Å; H250-E271 IonicContact ND1-OE1 3.19Å; H250-E271 WeakPolarHBondContact NE2-CG 3.37Å; H250-E271 IonicContact NE2-OE1 3.81Å; H250-E271 PolarHBondContact NE2-OE1 3.45Å; S251-E271 PolarHBondContact N-OE1 3.05Å; G269-E271 PolarHBondContact O-N 2.96Å; E271-V273 HydrophobicContact CB-CG2 4.33Å; E271-V273 WeakPolarHBondContact O-CG2 3.39Å; E271-V273 PolarHBondContact O-N 2.81Å
272S88.6Confident89.2Confident26 Ų2633.7 Ų33.718%0.18217%0.165CC..  trans60.627.9-17675.90000114.4G269 V270 L291 A293G269-S272 PolarHBondContact O-N 2.79Å; V270-S272 PolarHBondContact O-N 3.07Å; S272-L291 WeakPolarHBondContact O-CB 3.27Å; S272-L291 PolarHBondContact O-N 2.9Å; S272-L291 VanDerWaalsContact O-N 3.16Å; S272-A293 WeakPolarHBondContact CA-O 3.29Å; S272-A293 VanDerWaalsContact CB-C 3.48Å; S272-A293 WeakPolarHBondContact CB-O 3.26Å
273V92.1Very high88.4Confident16 Ų1639 Ų3910%0.09720%0.202CC..  trans-117.6130.3178-174.80000109.7W248 E271 V275 F287 L288 P289 I295W248-V273 HydrophobicContact CH2-CB 3.68Å; W248-V273 HydrophobicContact CH2-CG1 3.56Å; W248-V273 HydrophobicContact CH2-CG2 3.96Å; W248-V273 HydrophobicContact CZ2-CG1 4.22Å; W248-V273 HydrophobicContact CZ3-CB 4.1Å; W248-V273 HydrophobicContact CZ3-CG1 4.21Å; E271-V273 HydrophobicContact CB-CG2 4.33Å; E271-V273 WeakPolarHBondContact O-CG2 3.39Å; E271-V273 PolarHBondContact O-N 2.81Å; V273-V275 HydrophobicContact CG1-CG2 4.09Å; V273-F287 HydrophobicContact CG1-CB 4.03Å; V273-F287 HydrophobicContact CG1-CD2 4.37Å; V273-L288 WeakPolarHBondContact CA-O 3.33Å; V273-L288 WeakPolarHBondContact CG1-O 3.46Å; V273-P289 HydrophobicContact CG2-CB 4.29Å; V273-I295 WeakPolarHBondContact O-CD1 3.34Å
274L94.6Very high88Confident3 Ų340.5 Ų40.52%0.01620%0.203CC..EExtended strand (participates in β ladder)trans-88.3123.7168.6179.468.5000108.6L266 F287 L288 L291 I295 I298 T309 I319L266-L274 HydrophobicContact CB-CD1 4.27Å; L274-F287 CarbonylContact O-C 3.33Å; L274-F287 VanDerWaalsContact O-CA 3.26Å; L274-F287 WeakPolarHBondContact O-CA 3.39Å; L274-L288 HydrophobicContact CB-CB 4.31Å; L274-L288 PolarHBondContact N-O 2.79Å; L274-L288 VanDerWaalsContact N-O 3.16Å; L274-L288 PolarHBondContact O-N 3.41Å; L274-L291 HydrophobicContact CB-CD1 3.85Å; L274-I295 HydrophobicContact CB-CD1 4.16Å; L274-I298 HydrophobicContact CD1-CD1 3.7Å; L274-I298 HydrophobicContact CD1-CG1 4.39Å; L274-T309 HydrophobicContact CD1-CG2 3.98Å; L274-T309 HydrophobicContact CD2-CG2 4.06Å; L274-T309 HydrophobicContact CG-CG2 4.45Å; L274-I319 HydrophobicContact CD2-CD1 3.7Å
275V94.1Very high87.8Confident0 Ų042.1 Ų42.10%021%0.21CC..EExtended strand (participates in β ladder)trans-114.1127.6177.2-175.70000109.8W248 L266 S267 V273 W277 Q285 F287W248-V275 HydrophobicContact CD2-CG2 3.84Å; W248-V275 HydrophobicContact CE3-CG2 3.45Å; W248-V275 VanDerWaalsContact CE3-CG2 3.45Å; W248-V275 HydrophobicContact CH2-CG2 3.91Å; W248-V275 HydrophobicContact CZ2-CG2 4.23Å; W248-V275 HydrophobicContact CZ3-CG2 3.49Å; W248-V275 VanDerWaalsContact CZ3-CG2 3.49Å; L266-V275 CarbonylContact C-O 3.48Å; L266-V275 WeakPolarHBondContact CA-O 3.18Å; S267-V275 PolarHBondContact N-O 3.37Å; S267-V275 PolarHBondContact O-N 3.28Å; S267-V275 WeakPolarHBondContact OG-CB 3.44Å; S267-V275 PolarHBondContact OG-O 2.88Å; V273-V275 HydrophobicContact CG1-CG2 4.09Å; V275-W277 HydrophobicContact CG1-CD2 4.26Å; V275-W277 HydrophobicContact CG1-CZ2 3.98Å; V275-Q285 HydrophobicContact CG1-CB 4.48Å; V275-F287 HydrophobicContact CG2-CB 4.19Å
276Q93.9Very high87.6Confident14 Ų1445 Ų457%0.06523%0.226CC..EExtended strand (participates in β ladder)trans-106.3116.2177.3-178.8175-9.200109.8N264 L266 Q285 D286N264-Q276 HydrophobicContact CB-CG 3.89Å; N264-Q276 VanDerWaalsContact CG-NE2 3.25Å; N264-Q276 PolarHBondContact ND2-NE2 2.83Å; L266-Q276 HydrophobicContact CD2-CB 3.84Å; L266-Q276 HydrophobicContact CD2-CG 3.87Å; Q276-Q285 VanDerWaalsContact O-CA 3.32Å; Q276-Q285 WeakPolarHBondContact O-CA 3.22Å; Q276-D286 HydrophobicContact CB-CB 4.45Å; Q276-D286 PolarHBondContact N-O 2.68Å; Q276-D286 PolarHBondContact O-N 2.9Å
277W93Very high87.5Confident13 Ų1350.3 Ų50.35%0.04925%0.249CC..EExtended strand (participates in β ladder)trans-98.8124.7178.8-53.488.6000109.4I229 L246 W248 N264 L265 S267 V275 Y279 Q285I229-W277 HydrophobicContact CD1-CZ2 4.12Å; L246-W277 HydrophobicContact CB-CE3 4.28Å; L246-W277 HydrophobicContact CB-CH2 4.02Å; L246-W277 HydrophobicContact CB-CZ2 4.35Å; L246-W277 HydrophobicContact CB-CZ3 4.01Å; L246-W277 HydrophobicContact CD1-CB 4.49Å; L246-W277 HydrophobicContact CD1-CD2 4.03Å; L246-W277 HydrophobicContact CD1-CE3 4.1Å; L246-W277 HydrophobicContact CD1-CG 4.22Å; L246-W277 HydrophobicContact CD2-CE3 4.3Å; L246-W277 HydrophobicContact CD2-CZ3 4.39Å; L246-W277 HydrophobicContact CG-CE3 4.47Å; W248-W277 HydrophobicContact CB-CH2 3.52Å; W248-W277 HydrophobicContact CB-CZ2 3.74Å; N264-W277 CarbonylContact C-O 3.41Å; N264-W277 VanDerWaalsContact CA-O 3.31Å; N264-W277 WeakPolarHBondContact CA-O 3.45Å; L265-W277 HydrophobicContact CB-CB 4.2Å; L265-W277 PolarHBondContact N-O 3.08Å; L265-W277 VanDerWaalsContact O-CD1 3.28Å; L265-W277 PolarHBondContact O-N 2.86Å; S267-W277 PolarHBondContact OG-NE1 3.39Å; V275-W277 HydrophobicContact CG1-CD2 4.26Å; V275-W277 HydrophobicContact CG1-CZ2 3.98Å; W277-Y279 PolarHBondContact O-N 3.32Å; W277-Q285 HydrophobicContact CE3-CB 4.3Å; W277-Q285 VanDerWaalsContact CZ3-OE1 3.22Å
278R91.2Very high87.3Confident98 Ų9851.6 Ų51.637%0.3726%0.256SS..EExtended strand (participates in β ladder)trans-74119.7173.1-64-170.6-172.5179.8-1.8109.6Q280 Q281 Q284 D286R278-Q280 PolarHBondContact O-N 3.32Å; R278-Q281 HydrophobicContact CB-CB 4.23Å; R278-Q281 PolarHBondContact O-N 2.96Å; R278-Q284 HydrophobicContact CB-CB 4.41Å; R278-Q284 HydrophobicContact CG-CB 4.29Å; R278-Q284 PolarHBondContact N-O 2.8Å; R278-D286 IonicContact CZ-OD2 3.02Å; R278-D286 IonicContact NE-OD2 3.64Å; R278-D286 IonicContact NH2-OD2 3.55Å; R278-D286 PolarHBondContact NH2-OD2 2.93Å
279Y84.8Confident87.2Confident28 Ų2853.9 Ų53.911%0.1127%0.271CS..THydrogen-bonded Turntrans-63135.3178.7-167.5-114000109.3H214 C219 R233 F258 G262 S263 W277 Q281H214-Y279 AromaticContact CD2-CZ 3.99Å; H214-Y279 AromaticContact NE2-CD1 3.89Å; H214-Y279 AromaticContact NE2-CE1 3.84Å; C219-Y279 VanDerWaalsContact CB-OH 3.26Å; C219-Y279 WeakPolarHBondContact CB-OH 3.44Å; C219-Y279 PolarHBondContact SG-OH 3.08Å; C219-Y279 VanDerWaalsContact SG-OH 3.39Å; R233-Y279 PolarHBondContact NH2-OH 3.13Å; F258-Y279 HydrophobicContact CE1-CD2 4.06Å; F258-Y279 HydrophobicContact CE1-CE2 4.32Å; G262-Y279 WeakPolarHBondContact O-CB 3.42Å; S263-Y279 WeakPolarHBondContact O-CB 3.33Å; S263-Y279 PolarHBondContact O-N 3.27Å; W277-Y279 PolarHBondContact O-N 3.32Å; Y279-Q281 VanDerWaalsContact C-N 3.25Å; Y279-Q281 PolarHBondContact O-N 3.23Å
280Q80.9Confident86.9Confident147 Ų14764.2 Ų64.269%0.68731%0.309SS*.THydrogen-bonded Turntrans73.4-15.1-174.2-46.6-179.6-4.500117.1R278R278-Q280 PolarHBondContact O-N 3.32Å
281Q82.3Confident86.8Confident105 Ų10562.9 Ų62.949%0.49130%0.301SS..  trans-116.785.4178.2-67.1-178.417.100111.3R278 Y279 S283 Q284R278-Q281 HydrophobicContact CB-CB 4.23Å; R278-Q281 PolarHBondContact O-N 2.96Å; Y279-Q281 VanDerWaalsContact C-N 3.25Å; Y279-Q281 PolarHBondContact O-N 3.23Å; Q281-S283 VanDerWaalsContact C-N 3.29Å; Q281-S283 PolarHBondContact O-N 3.16Å; Q281-Q284 HydrophobicContact CB-CB 4.46Å; Q281-Q284 PolarHBondContact O-N 3.49Å; Q281-Q284 VanDerWaalsContact O-N 3.14Å
282E65.6Low86.5Confident107 Ų10763 Ų6350%0.531%0.311SS..THydrogen-bonded Turntrans-66.6-23.1-167.1-62.9176.9-176.900114.9R244R244-E282 WeakPolarHBondContact CD-OE1 3.35Å; R244-E282 IonicContact CZ-OE1 2.71Å; R244-E282 IonicContact NE-OE1 3.63Å; R244-E282 IonicContact NH1-OE1 2.86Å; R244-E282 PolarHBondContact NH1-OE1 3.48Å
283S71.4Confident86.4Confident114 Ų11462.3 Ų62.380%0.79731%0.307SS*.THydrogen-bonded Turntrans-88.1-6.4178.458.20000113.9Q281Q281-S283 VanDerWaalsContact C-N 3.29Å; Q281-S283 PolarHBondContact O-N 3.16Å
284Q82.6Confident86.3Confident79 Ų7962.7 Ų62.737%0.36931%0.312SS..  trans-106.6108.7-178.6-64.8-161-6.200110.4R278 Q281R278-Q284 HydrophobicContact CB-CB 4.41Å; R278-Q284 HydrophobicContact CG-CB 4.29Å; R278-Q284 PolarHBondContact N-O 2.8Å; Q281-Q284 HydrophobicContact CB-CB 4.46Å; Q281-Q284 PolarHBondContact O-N 3.49Å; Q281-Q284 VanDerWaalsContact O-N 3.14Å
285Q87.3Confident86.2Confident60 Ų6062.6 Ų62.628%0.2831%0.311SS..EExtended strand (participates in β ladder)trans-133.1135.6175.957.3-178.76700109.3V275 Q276 W277V275-Q285 HydrophobicContact CG1-CB 4.48Å; Q276-Q285 VanDerWaalsContact O-CA 3.32Å; Q276-Q285 WeakPolarHBondContact O-CA 3.22Å; W277-Q285 HydrophobicContact CE3-CB 4.3Å; W277-Q285 VanDerWaalsContact CZ3-OE1 3.22Å
286D90.3Very high86.1Confident64 Ų6463.9 Ų63.934%0.34232%0.319SS..EExtended strand (participates in β ladder)trans-108.9147.3172.5-65.8-45.3000107.5Q276 R278Q276-D286 HydrophobicContact CB-CB 4.45Å; Q276-D286 PolarHBondContact N-O 2.68Å; Q276-D286 PolarHBondContact O-N 2.9Å; R278-D286 IonicContact CZ-OD2 3.02Å; R278-D286 IonicContact NE-OD2 3.64Å; R278-D286 IonicContact NH2-OD2 3.55Å; R278-D286 PolarHBondContact NH2-OD2 2.93Å
287F91.6Very high86Confident111 Ų11164.2 Ų64.249%0.48732%0.321SS..EExtended strand (participates in β ladder)trans-143.9147.1-178.862.3-89.3000112.4V273 L274 V275 P289V273-F287 HydrophobicContact CG1-CB 4.03Å; V273-F287 HydrophobicContact CG1-CD2 4.37Å; L274-F287 CarbonylContact O-C 3.33Å; L274-F287 VanDerWaalsContact O-CA 3.26Å; L274-F287 WeakPolarHBondContact O-CA 3.39Å; V275-F287 HydrophobicContact CG2-CB 4.19Å; F287-P289 HydrophobicContact CD2-CG 4.31Å; F287-P289 HydrophobicContact CE2-CG 4.32Å
288L92.4Very high86.1Confident27 Ų2764 Ų6414%0.14132%0.321CS..EExtended strand (participates in β ladder)trans-115.2100.5176.1-170.755.1000110V273 L274 L291 I319 V323 V325V273-L288 WeakPolarHBondContact CA-O 3.33Å; V273-L288 WeakPolarHBondContact CG1-O 3.46Å; L274-L288 HydrophobicContact CB-CB 4.31Å; L274-L288 PolarHBondContact N-O 2.79Å; L274-L288 VanDerWaalsContact N-O 3.16Å; L274-L288 PolarHBondContact O-N 3.41Å; L288-L291 HydrophobicContact CD2-CD2 3.84Å; L288-L291 HydrophobicContact CG-CD2 4.06Å; L288-L291 HydrophobicContact CG-CG 4.44Å; L288-I319 HydrophobicContact CD2-CD1 3.75Å; L288-I319 HydrophobicContact CD2-CG1 4.02Å; L288-I319 HydrophobicContact CD2-CG2 4.01Å; L288-V323 HydrophobicContact CB-CG1 3.59Å; L288-V323 HydrophobicContact CD1-CG1 4.41Å; L288-V323 HydrophobicContact CD2-CG1 4.28Å; L288-V323 HydrophobicContact CG-CG1 4.31Å; L288-V325 HydrophobicContact CD2-CG2 4Å
289P89.8Confident86.1Confident48 Ų4860 Ų6031%0.31231%0.308SS..  trans-82.9168.3-18034.2-34000112.3V273 F287V273-P289 HydrophobicContact CG2-CB 4.29Å; F287-P289 HydrophobicContact CD2-CG 4.31Å; F287-P289 HydrophobicContact CE2-CG 4.32Å
290R84.4Confident86.5Confident219 Ų21959.9 Ų59.983%0.82631%0.31SS*.  trans6342.7171.5-62.4-176.5-80.6-96.30.9114.7G292R290-G292 PolarHBondContact O-N 2.81Å
291L85.8Confident87Confident7 Ų752.9 Ų52.94%0.03728%0.278CS..  trans-76.2-14.4174.2-64.9168.6000113.2S272 L274 L288 I295 H311 K315 V317 I319 V325S272-L291 WeakPolarHBondContact O-CB 3.27Å; S272-L291 PolarHBondContact O-N 2.9Å; S272-L291 VanDerWaalsContact O-N 3.16Å; L274-L291 HydrophobicContact CB-CD1 3.85Å; L288-L291 HydrophobicContact CD2-CD2 3.84Å; L288-L291 HydrophobicContact CG-CD2 4.06Å; L288-L291 HydrophobicContact CG-CG 4.44Å; L291-I295 HydrophobicContact CD1-CD1 3.98Å; L291-H311 VanDerWaalsContact CB-CE1 3.42Å; L291-H311 WeakPolarHBondContact CB-CE1 3.39Å; L291-K315 PolarHBondContact O-NZ 2.65Å; L291-K315 VanDerWaalsContact O-NZ 3.11Å; L291-V317 HydrophobicContact CD2-CG1 4.23Å; L291-I319 HydrophobicContact CD1-CD1 4.39Å; L291-I319 HydrophobicContact CD2-CD1 4.28Å; L291-V325 HydrophobicContact CD2-CG2 4.18Å
292G79.8Confident87.2Confident37 Ų3751.2 Ų51.238%0.38128%0.276SS..SBendtrans105-17.3161.700000116.1R290 K356R290-G292 PolarHBondContact O-N 2.81Å; G292-K356 PolarHBondContact O-NZ 3.37Å
293A86.6Confident88.2Confident12 Ų1249.9 Ų49.910%0.09927%0.273CS..SBendtrans-156.5165.1172.900000110.7S272 I295 H311 D313S272-A293 WeakPolarHBondContact CA-O 3.29Å; S272-A293 VanDerWaalsContact CB-C 3.48Å; S272-A293 WeakPolarHBondContact CB-O 3.26Å; A293-I295 PolarHBondContact O-N 2.83Å; A293-H311 HydrophobicContact CB-CB 4.12Å; A293-H311 PolarHBondContact O-ND1 2.72Å; A293-D313 HydrophobicContact CB-CB 3.88Å; A293-D313 VanDerWaalsContact CB-CG 3.43Å; A293-D313 WeakPolarHBondContact CB-OD1 3.38Å
294A89.7Confident88.9Confident23 Ų2345.1 Ų45.119%0.1924%0.241CC..  trans-55.2133.9-179.800000111.3T296 H311 S312A294-T296 PolarHBondContact O-N 3.07Å; A294-H311 CarbonylContact O-C 3.49Å; A294-H311 VanDerWaalsContact O-CA 3.25Å; A294-H311 WeakPolarHBondContact O-CA 3.49Å; A294-S312 PolarHBondContact O-N 2.99Å
295I93Very high89.2Confident1 Ų143.5 Ų43.51%0.00524%0.241CC..EExtended strand (participates in β ladder)trans-79.9121.7178.2-60.1170.8000107.9R254 G269 V273 L274 L291 A293 I298 S310R254-I295 VanDerWaalsContact CB-O 3.31Å; R254-I295 WeakPolarHBondContact CB-O 3.43Å; G269-I295 PolarHBondContact O-N 3.44Å; V273-I295 WeakPolarHBondContact O-CD1 3.34Å; L274-I295 HydrophobicContact CB-CD1 4.16Å; L291-I295 HydrophobicContact CD1-CD1 3.98Å; A293-I295 PolarHBondContact O-N 2.83Å; I295-I298 HydrophobicContact CG2-CD1 4.23Å; I295-I298 HydrophobicContact CG2-CG1 3.76Å; I295-S310 CarbonylContact C-O 3.57Å; I295-S310 WeakPolarHBondContact CA-O 3.31Å
296T91.6Very high89.4Confident27 Ų2741.6 Ų41.617%0.16623%0.233CC..EExtended strand (participates in β ladder)trans-94.1-44.4179.554.40000112.2A294 S310A294-T296 PolarHBondContact O-N 3.07Å; T296-S310 PolarHBondContact N-O 3Å; T296-S310 PolarHBondContact OG1-O 3.06Å; T296-S310 VanDerWaalsContact OG1-O 3.11Å
297H92Very high89.6Confident22 Ų2238.6 Ų38.610%0.10222%0.217CC..EExtended strand (participates in β ladder)trans-138.2151-177.7-56.2-68.1000110.7T18 F19 E21 S310T18-H297 PolarHBondContact O-CD2 3.23Å; F19-H297 PolarHBondContact O-NE2 3.17Å; E21-H297 HydrophobicContact CB-CB 4.22Å; H297-S310 PolarHBondContact N-O 2.97Å; H297-S310 PolarHBondContact O-N 2.79Å
298I94.4Very high89.7Confident9 Ų933.3 Ų33.35%0.04619%0.194CC..EExtended strand (participates in β ladder)trans-130126174.6-60.9170.7000107.6A255 C257 L266 L274 I295 C308 T309A255-I298 HydrophobicContact CB-CB 4.25Å; A255-I298 HydrophobicContact CB-CD1 3.95Å; A255-I298 HydrophobicContact CB-CG1 3.77Å; C257-I298 HydrophobicContact CB-CB 4.22Å; C257-I298 HydrophobicContact CB-CG2 3.92Å; L266-I298 HydrophobicContact CB-CD1 4.42Å; L266-I298 HydrophobicContact CB-CG2 4.12Å; L266-I298 HydrophobicContact CD1-CG2 3.95Å; L274-I298 HydrophobicContact CD1-CD1 3.7Å; L274-I298 HydrophobicContact CD1-CG1 4.39Å; I295-I298 HydrophobicContact CG2-CD1 4.23Å; I295-I298 HydrophobicContact CG2-CG1 3.76Å; I298-C308 WeakPolarHBondContact CA-O 3.06Å; I298-T309 HydrophobicContact CG1-CG2 4.34Å
299A92.6Very high89.7Confident13 Ų1332 Ų3211%0.10719%0.187CC..EExtended strand (participates in β ladder)trans-120.7149.317200000109.8P22 C308P22-A299 HydrophobicContact CG-CB 4.39Å; P22-A299 WeakPolarHBondContact O-CB 3.25Å; A299-C308 HydrophobicContact CB-CB 4.3Å; A299-C308 PolarHBondContact N-O 2.8Å; A299-C308 PolarHBondContact O-N 3.47Å
300V92.9Very high89.9Confident25 Ų2529.7 Ų29.715%0.15217%0.172CC..EExtended strand (participates in β ladder)trans-122.3140177.9-179.30000108.5C257 P260 L266 F307C257-V300 HydrophobicContact CB-CG2 4.44Å; P260-V300 HydrophobicContact CG-CG1 4.09Å; L266-V300 HydrophobicContact CD1-CG2 3.6Å; V300-F307 HydrophobicContact CB-CD1 4.35Å; V300-F307 HydrophobicContact CG1-CD1 3.77Å; V300-F307 HydrophobicContact CG1-CE1 3.89Å; V300-F307 HydrophobicContact CG2-CD1 3.92Å; V300-F307 HydrophobicContact CG2-CE1 4.43Å
301S91.2Very high90.2Very high0 Ų019.3 Ų19.30%013%0.133CC..  trans-65.6146.9176.760.60000110.4S28 P260 D303 G304 A305 L306S28-S301 VanDerWaalsContact OG-CB 3.26Å; S28-S301 WeakPolarHBondContact OG-CB 3.37Å; P260-S301 VanDerWaalsContact CG-O 3.25Å; P260-S301 WeakPolarHBondContact CG-O 3.41Å; S301-D303 WeakPolarHBondContact CB-OD1 3.36Å; S301-D303 PolarHBondContact O-N 3.08Å; S301-D303 VanDerWaalsContact O-N 3.16Å; S301-D303 PolarHBondContact OG-OD1 2.85Å; S301-G304 PolarHBondContact O-N 2.89Å; S301-G304 PolarHBondContact OG-N 2.91Å; S301-A305 PolarHBondContact OG-N 3.1Å; S301-A305 VanDerWaalsContact OG-N 3.15Å; S301-L306 WeakPolarHBondContact CB-O 3.4Å; S301-L306 PolarHBondContact N-O 3.35Å; S301-L306 PolarHBondContact OG-N 3.5Å; S301-L306 PolarHBondContact OG-O 3.22Å; S301-L306 VanDerWaalsContact OG-O 3.06Å
302P87.1Confident90.3Very high71 Ų7122.5 Ų22.546%0.46116%0.156SC..THydrogen-bonded Turntrans-59.1-27.3179.6-27.737000114.4
303D86.2Confident90.6Very high79 Ų7921.2 Ų21.242%0.42214%0.14SC..THydrogen-bonded Turntrans-81.6-9.417565.83.8000113.8S28 S301 A305S28-D303 PolarHBondContact OG-OD1 3.38Å; S28-D303 PolarHBondContact OG-OD2 2.73Å; S301-D303 WeakPolarHBondContact CB-OD1 3.36Å; S301-D303 PolarHBondContact O-N 3.08Å; S301-D303 VanDerWaalsContact O-N 3.16Å; S301-D303 PolarHBondContact OG-OD1 2.85Å; D303-A305 PolarHBondContact O-N 3.44Å; D303-A305 WeakPolarHBondContact OD1-CB 3.34Å; D303-A305 PolarHBondContact OD1-N 3.16Å
304G86.5Confident90.6Very high14 Ų1421 Ų2114%0.14414%0.137CC..SBendtrans72.56.2-176.200000115.6S301 S321S301-G304 PolarHBondContact O-N 2.89Å; S301-G304 PolarHBondContact OG-N 2.91Å; G304-S321 PolarHBondContact O-OG 3.1Å
305A88.8Confident90.6Very high44 Ų4421.2 Ų21.236%0.36413%0.134SC..SBendtrans-77.7-35.2-17700000113.5S301 D303 S321S301-A305 PolarHBondContact OG-N 3.1Å; S301-A305 VanDerWaalsContact OG-N 3.15Å; D303-A305 PolarHBondContact O-N 3.44Å; D303-A305 WeakPolarHBondContact OD1-CB 3.34Å; D303-A305 PolarHBondContact OD1-N 3.16Å; A305-S321 PolarHBondContact O-N 3.12Å
306L92Very high90.6Very high21 Ų2121.2 Ų21.211%0.1113%0.134CC..EExtended strand (participates in β ladder)trans-122.8139.5-176.6-66.2-178.8000111.8S28 T44 S301 I319 Q320S28-L306 WeakPolarHBondContact O-CD1 3.33Å; T44-L306 HydrophobicContact CG2-CD1 4.4Å; S301-L306 WeakPolarHBondContact CB-O 3.4Å; S301-L306 PolarHBondContact N-O 3.35Å; S301-L306 PolarHBondContact OG-N 3.5Å; S301-L306 PolarHBondContact OG-O 3.22Å; S301-L306 VanDerWaalsContact OG-O 3.06Å; L306-I319 CarbonylContact C-O 3.57Å; L306-I319 WeakPolarHBondContact CA-O 3Å; L306-Q320 HydrophobicContact CD2-CG 4.11Å
307F93Very high90.7Very high0 Ų020 Ų200%013%0.126CC..EExtended strand (participates in β ladder)trans-109.9141.3168-48.8-33.3000108.3T259 L266 V300 L318 I319T259-F307 HydrophobicContact CG2-CE1 4.1Å; T259-F307 HydrophobicContact CG2-CZ 4.24Å; L266-F307 HydrophobicContact CD1-CB 4.19Å; L266-F307 HydrophobicContact CD1-CD1 3.82Å; L266-F307 HydrophobicContact CD1-CD2 4Å; L266-F307 HydrophobicContact CD1-CE1 4.19Å; L266-F307 HydrophobicContact CD1-CE2 4.33Å; L266-F307 HydrophobicContact CD1-CG 3.73Å; L266-F307 HydrophobicContact CD1-CZ 4.43Å; L266-F307 HydrophobicContact CD2-CD2 4.35Å; L266-F307 HydrophobicContact CD2-CE2 4.2Å; V300-F307 HydrophobicContact CB-CD1 4.35Å; V300-F307 HydrophobicContact CG1-CD1 3.77Å; V300-F307 HydrophobicContact CG1-CE1 3.89Å; V300-F307 HydrophobicContact CG2-CD1 3.92Å; V300-F307 HydrophobicContact CG2-CE1 4.43Å; F307-L318 WeakPolarHBondContact O-CA 3.37Å; F307-I319 HydrophobicContact CB-CB 4.3Å; F307-I319 HydrophobicContact CD2-CG2 4.43Å; F307-I319 PolarHBondContact N-O 2.88Å; F307-I319 PolarHBondContact O-N 3.39Å
308C93.3Very high90.8Very high0 Ų019 Ų190%012%0.122CC..EExtended strand (participates in β ladder)trans-120.9120177.9175.80000108.8P22 I24 L31 I298 A299 I316 V317 L318P22-C308 WeakPolarHBondContact CG-SG 3.35Å; I24-C308 HydrophobicContact CD1-CB 3.64Å; I24-C308 HydrophobicContact CG1-CB 4.24Å; L31-C308 HydrophobicContact CD1-CB 4.44Å; I298-C308 WeakPolarHBondContact CA-O 3.06Å; A299-C308 HydrophobicContact CB-CB 4.3Å; A299-C308 PolarHBondContact N-O 2.8Å; A299-C308 PolarHBondContact O-N 3.47Å; C308-I316 WeakPolarHBondContact SG-CG2 3.47Å; C308-V317 WeakPolarHBondContact CA-O 3.37Å; C308-L318 HydrophobicContact CB-CD2 3.85Å
309T93.8Very high90.7Very high0 Ų018.5 Ų18.50%012%0.119CC..EExtended strand (participates in β ladder)trans-108.2122.9174.258.80000109.6L274 I298 H311 I316 V317 I319L274-T309 HydrophobicContact CD1-CG2 3.98Å; L274-T309 HydrophobicContact CD2-CG2 4.06Å; L274-T309 HydrophobicContact CG-CG2 4.45Å; I298-T309 HydrophobicContact CG1-CG2 4.34Å; T309-H311 PolarHBondContact O-CD2 3.24Å; T309-H311 PolarHBondContact OG1-NE2 2.6Å; T309-I316 WeakPolarHBondContact O-CA 3.44Å; T309-V317 PolarHBondContact N-O 2.86Å; T309-V317 PolarHBondContact O-N 2.76Å; T309-V317 PolarHBondContact OG1-O 3.12Å; T309-I319 HydrophobicContact CG2-CD1 3.87Å
310S92.9Very high90.6Very high0 Ų022.1 Ų22.10%013%0.134CC..EExtended strand (participates in β ladder)trans-94.3138.2172.4-58.20000109.5P22 I295 T296 H297P22-S310 WeakPolarHBondContact CD-OG 3.32Å; I295-S310 CarbonylContact C-O 3.57Å; I295-S310 WeakPolarHBondContact CA-O 3.31Å; T296-S310 PolarHBondContact N-O 3Å; T296-S310 PolarHBondContact OG1-O 3.06Å; T296-S310 VanDerWaalsContact OG1-O 3.11Å; H297-S310 PolarHBondContact N-O 2.97Å; H297-S310 PolarHBondContact O-N 2.79Å
311H91.4Very high90.2Very high0 Ų023.7 Ų23.70%015%0.146CC..EExtended strand (participates in β ladder)trans-117.4161.9-175-62.1-90.2000112.1T18 L291 A293 A294 T309 D313 K315 V317T18-H311 VanDerWaalsContact CB-O 3.27Å; T18-H311 WeakPolarHBondContact CB-O 3.49Å; T18-H311 WeakPolarHBondContact CG2-O 3.45Å; T18-H311 PolarHBondContact OG1-O 3.39Å; L291-H311 VanDerWaalsContact CB-CE1 3.42Å; L291-H311 WeakPolarHBondContact CB-CE1 3.39Å; A293-H311 HydrophobicContact CB-CB 4.12Å; A293-H311 PolarHBondContact O-ND1 2.72Å; A294-H311 CarbonylContact O-C 3.49Å; A294-H311 VanDerWaalsContact O-CA 3.25Å; A294-H311 WeakPolarHBondContact O-CA 3.49Å; T309-H311 PolarHBondContact O-CD2 3.24Å; T309-H311 PolarHBondContact OG1-NE2 2.6Å; H311-D313 WeakPolarHBondContact CB-OD1 3.48Å; H311-D313 PolarHBondContact O-N 2.92Å; H311-K315 HydrophobicContact CB-CB 4.25Å; H311-K315 WeakPolarHBondContact CB-O 3.44Å; H311-K315 PolarHBondContact CD2-O 3.18Å; H311-K315 PolarHBondContact N-O 2.9Å; H311-V317 WeakPolarHBondContact NE2-CG2 2.98Å
312S88Confident89.8Confident74 Ų7427.2 Ų27.252%0.51717%0.17SC..THydrogen-bonded Turntrans-67.9-20.1179.461.70000114.1A294 N314A294-S312 PolarHBondContact O-N 2.99Å; S312-N314 VanDerWaalsContact C-N 3.27Å; S312-N314 PolarHBondContact O-N 3.18Å
313D85.2Confident89.6Confident11 Ų1125.1 Ų25.16%0.05916%0.156CC..THydrogen-bonded Turntrans-89.426.4179.965.6-23.6000113.4A293 H311 K315 V333 K356A293-D313 HydrophobicContact CB-CB 3.88Å; A293-D313 VanDerWaalsContact CB-CG 3.43Å; A293-D313 WeakPolarHBondContact CB-OD1 3.38Å; H311-D313 WeakPolarHBondContact CB-OD1 3.48Å; H311-D313 PolarHBondContact O-N 2.92Å; D313-K315 PolarHBondContact O-N 3.33Å; D313-K315 VanDerWaalsContact O-N 3.17Å; D313-K315 WeakPolarHBondContact OD1-CB 3.26Å; D313-V333 HydrophobicContact CB-CG1 4.23Å; D313-V333 WeakPolarHBondContact O-CG2 3.5Å; D313-K356 VanDerWaalsContact CB-CE 3.47Å; D313-K356 WeakPolarHBondContact OD2-CE 3.44Å; D313-K356 IonicContact OD2-NZ 3.67Å; D313-K356 PolarHBondContact OD2-NZ 2.84Å
314N88.3Confident89.7Confident6 Ų628 Ų283%0.03217%0.165CC..SBendtrans57.626.7-177.9-153.125.6000114N16 I17 S312 G331 L332N16-N314 PolarHBondContact OD1-OD1 2.8Å; I17-N314 WeakPolarHBondContact CG1-OD1 3.29Å; I17-N314 PolarHBondContact N-OD1 2.97Å; S312-N314 VanDerWaalsContact C-N 3.27Å; S312-N314 PolarHBondContact O-N 3.18Å; N314-G331 PolarHBondContact O-N 3.21Å; N314-G331 VanDerWaalsContact O-N 3.11Å; N314-L332 PolarHBondContact ND2-O 3.26Å
315K89.6Confident89.8Confident29 Ų2930.6 Ų30.613%0.12618%0.177CC..EExtended strand (participates in β ladder)trans-105.4137.3178.5-171.5-175.2179.7-168.10110.1T18 L291 H311 D313 V317 I328 Q330T18-K315 WeakPolarHBondContact CG2-O 3.13Å; L291-K315 PolarHBondContact O-NZ 2.65Å; L291-K315 VanDerWaalsContact O-NZ 3.11Å; H311-K315 HydrophobicContact CB-CB 4.25Å; H311-K315 WeakPolarHBondContact CB-O 3.44Å; H311-K315 PolarHBondContact CD2-O 3.18Å; H311-K315 PolarHBondContact N-O 2.9Å; D313-K315 PolarHBondContact O-N 3.33Å; D313-K315 VanDerWaalsContact O-N 3.17Å; D313-K315 WeakPolarHBondContact OD1-CB 3.26Å; K315-V317 HydrophobicContact CD-CG2 4.12Å; K315-V317 HydrophobicContact CG-CG2 4.14Å; K315-I328 HydrophobicContact CD-CG2 4.18Å; K315-I328 HydrophobicContact CG-CG2 3.86Å; K315-Q330 HydrophobicContact CB-CB 4.49Å; K315-Q330 HydrophobicContact CB-CG 4.16Å; K315-Q330 HydrophobicContact CG-CB 4.25Å; K315-Q330 HydrophobicContact CG-CG 4.33Å
316I92.8Very high89.7Confident0 Ų031 Ų310%018%0.177CC..EExtended strand (participates in β ladder)trans-116.5127.7169.8-61.2179.4000107.7I17 T18 L31 C33 C308 T309 I329I17-I316 HydrophobicContact CD1-CD1 3.83Å; I17-I316 HydrophobicContact CD1-CG1 4.02Å; I17-I316 HydrophobicContact CG1-CD1 4.31Å; T18-I316 HydrophobicContact CG2-CD1 4.45Å; T18-I316 HydrophobicContact CG2-CG1 3.77Å; L31-I316 HydrophobicContact CD2-CD1 4.09Å; L31-I316 HydrophobicContact CD2-CG2 3.88Å; C33-I316 WeakPolarHBondContact SG-CD1 3.4Å; C308-I316 WeakPolarHBondContact SG-CG2 3.47Å; T309-I316 WeakPolarHBondContact O-CA 3.44Å; I316-I329 HydrophobicContact CB-CB 4.37Å; I316-I329 PolarHBondContact N-O 3.13Å; I316-I329 PolarHBondContact O-N 2.71Å
317V93.3Very high89.4Confident2 Ų230.3 Ų30.31%0.01218%0.175CC..EExtended strand (participates in β ladder)trans-113123.7177-173.90000108.6L291 C308 T309 H311 K315 I319 V325 I328L291-V317 HydrophobicContact CD2-CG1 4.23Å; C308-V317 WeakPolarHBondContact CA-O 3.37Å; T309-V317 PolarHBondContact N-O 2.86Å; T309-V317 PolarHBondContact O-N 2.76Å; T309-V317 PolarHBondContact OG1-O 3.12Å; H311-V317 WeakPolarHBondContact NE2-CG2 2.98Å; K315-V317 HydrophobicContact CD-CG2 4.12Å; K315-V317 HydrophobicContact CG-CG2 4.14Å; V317-I319 HydrophobicContact CG1-CD1 4.3Å; V317-I319 HydrophobicContact CG1-CG1 3.89Å; V317-V325 HydrophobicContact CG1-CB 4.38Å; V317-V325 HydrophobicContact CG1-CG1 3.63Å; V317-V325 HydrophobicContact CG1-CG2 4.01Å; V317-I328 HydrophobicContact CG1-CG1 4.39Å; V317-I328 HydrophobicContact CG2-CG1 4.43Å
318L93.3Very high89.2Confident0 Ų033.4 Ų33.40%019%0.19CC..EExtended strand (participates in β ladder)trans-92129.8171.8-65.1170.8000108.2L31 T44 F307 C308 S326 S327 I329L31-L318 HydrophobicContact CD1-CD2 4.45Å; T44-L318 HydrophobicContact CG2-CD1 3.79Å; F307-L318 WeakPolarHBondContact O-CA 3.37Å; C308-L318 HydrophobicContact CB-CD2 3.85Å; L318-S326 VanDerWaalsContact C-OG 3.32Å; L318-S326 WeakPolarHBondContact CB-OG 3.47Å; L318-S326 PolarHBondContact O-N 2.95Å; L318-S326 PolarHBondContact O-OG 3.17Å; L318-S326 VanDerWaalsContact O-OG 3.04Å; L318-S327 WeakPolarHBondContact CB-OG 3.48Å; L318-S327 VanDerWaalsContact CD1-OG 3.29Å; L318-S327 WeakPolarHBondContact CD1-OG 3.34Å; L318-S327 PolarHBondContact N-O 2.94Å; L318-S327 PolarHBondContact O-N 2.79Å; L318-I329 HydrophobicContact CD1-CD1 4.24Å
319I93.3Very high89.1Confident0 Ų033.7 Ų33.70%019%0.192CC..EExtended strand (participates in β ladder)trans-129.4130.6-172-62162.4000107.2L274 L288 L291 L306 F307 T309 V317 K324 V325L274-I319 HydrophobicContact CD2-CD1 3.7Å; L288-I319 HydrophobicContact CD2-CD1 3.75Å; L288-I319 HydrophobicContact CD2-CG1 4.02Å; L288-I319 HydrophobicContact CD2-CG2 4.01Å; L291-I319 HydrophobicContact CD1-CD1 4.39Å; L291-I319 HydrophobicContact CD2-CD1 4.28Å; L306-I319 CarbonylContact C-O 3.57Å; L306-I319 WeakPolarHBondContact CA-O 3Å; F307-I319 HydrophobicContact CB-CB 4.3Å; F307-I319 HydrophobicContact CD2-CG2 4.43Å; F307-I319 PolarHBondContact N-O 2.88Å; F307-I319 PolarHBondContact O-N 3.39Å; T309-I319 HydrophobicContact CG2-CD1 3.87Å; V317-I319 HydrophobicContact CG1-CD1 4.3Å; V317-I319 HydrophobicContact CG1-CG1 3.89Å; I319-K324 CarbonylContact C-O 3.59Å; I319-K324 WeakPolarHBondContact CA-O 3.41Å; I319-V325 HydrophobicContact CG1-CG2 4.47Å
320Q90.8Very high88.7Confident89 Ų8934.8 Ų34.842%0.41620%0.197SC..EExtended strand (participates in β ladder)trans-71.4156.6173.5-66.5177.4-10.800110.7L306 C322 V323 K324L306-Q320 HydrophobicContact CD2-CG 4.11Å; Q320-C322 PolarHBondContact O-N 3.49Å; Q320-V323 PolarHBondContact O-N 3.16Å; Q320-K324 PolarHBondContact N-O 3.46Å
321S83.9Confident88.3Confident57 Ų5735 Ų3540%0.39920%0.2SC..THydrogen-bonded Turntrans-51.9-24175.6-166.40000114.1G304 A305 V323G304-S321 PolarHBondContact O-OG 3.1Å; A305-S321 PolarHBondContact O-N 3.12Å; S321-V323 PolarHBondContact O-N 2.94Å
322C82.4Confident88Confident75 Ų7535.1 Ų35.151%0.50720%0.2SC..THydrogen-bonded Turntrans-78.411.6172.8690000115.2Q320 K324Q320-C322 PolarHBondContact O-N 3.49Å; C322-K324 VanDerWaalsContact C-N 3.31Å; C322-K324 PolarHBondContact O-N 2.81Å
323V83.4Confident87.7Confident27 Ų2731.8 Ų31.816%0.16418%0.177CC..THydrogen-bonded Turntrans63.237.9178.4-1650000111.8L288 Q320 S321L288-V323 HydrophobicContact CB-CG1 3.59Å; L288-V323 HydrophobicContact CD1-CG1 4.41Å; L288-V323 HydrophobicContact CD2-CG1 4.28Å; L288-V323 HydrophobicContact CG-CG1 4.31Å; Q320-V323 PolarHBondContact O-N 3.16Å; S321-V323 PolarHBondContact O-N 2.94Å
324K87.4Confident87.1Confident140 Ų14035.4 Ų35.461%0.60919%0.192SC*.EExtended strand (participates in β ladder)trans-117.6135.6173.5-68.5-174.9-179.5179.80110.4I319 Q320 C322 S326I319-K324 CarbonylContact C-O 3.59Å; I319-K324 WeakPolarHBondContact CA-O 3.41Å; Q320-K324 PolarHBondContact N-O 3.46Å; C322-K324 VanDerWaalsContact C-N 3.31Å; C322-K324 PolarHBondContact O-N 2.81Å; K324-S326 PolarHBondContact O-N 2.89Å
325V88.1Confident86.1Confident67 Ų6736 Ų3641%0.40620%0.2SC..EExtended strand (participates in β ladder)trans-64.9125.5174.6179.60000109.1L288 L291 V317 I319 I328L288-V325 HydrophobicContact CD2-CG2 4Å; L291-V325 HydrophobicContact CD2-CG2 4.18Å; V317-V325 HydrophobicContact CG1-CB 4.38Å; V317-V325 HydrophobicContact CG1-CG1 3.63Å; V317-V325 HydrophobicContact CG1-CG2 4.01Å; I319-V325 HydrophobicContact CG1-CG2 4.47Å; V325-I328 HydrophobicContact CG1-CD1 4.36Å; V325-I328 HydrophobicContact CG1-CG1 4.08Å
326S87.2Confident84.7Confident52 Ų5244.7 Ų44.736%0.36424%0.241SC..EExtended strand (participates in β ladder)trans-94.4-48.6173.957.50000112L318 K324L318-S326 VanDerWaalsContact C-OG 3.32Å; L318-S326 WeakPolarHBondContact CB-OG 3.47Å; L318-S326 PolarHBondContact O-N 2.95Å; L318-S326 PolarHBondContact O-OG 3.17Å; L318-S326 VanDerWaalsContact O-OG 3.04Å; K324-S326 PolarHBondContact O-N 2.89Å
327S85.9Confident83.2Confident8 Ų847.5 Ų47.56%0.05626%0.264CS..EExtended strand (participates in β ladder)trans-154.8154.6-169330000111.4T44 E47 L318T44-S327 PolarHBondContact O-OG 3.3Å; E47-S327 WeakPolarHBondContact OE1-CA 3.48Å; E47-S327 WeakPolarHBondContact OE1-CB 3.1Å; L318-S327 WeakPolarHBondContact CB-OG 3.48Å; L318-S327 VanDerWaalsContact CD1-OG 3.29Å; L318-S327 WeakPolarHBondContact CD1-OG 3.34Å; L318-S327 PolarHBondContact N-O 2.94Å; L318-S327 PolarHBondContact O-N 2.79Å
328I89.9Confident81.8Confident64 Ų6449 Ų4933%0.32827%0.273SS..EExtended strand (participates in β ladder)trans-130.8117.6-176.8-61.1173.4000109E47 K315 V317 V325E47-I328 PolarHBondContact OE1-N 3.37Å; K315-I328 HydrophobicContact CD-CG2 4.18Å; K315-I328 HydrophobicContact CG-CG2 3.86Å; V317-I328 HydrophobicContact CG1-CG1 4.39Å; V317-I328 HydrophobicContact CG2-CG1 4.43Å; V325-I328 HydrophobicContact CG1-CD1 4.36Å; V325-I328 HydrophobicContact CG1-CG1 4.08Å
329I89.3Confident80.9Confident7 Ų751.7 Ų51.74%0.03629%0.285CS..EExtended strand (participates in β ladder)trans-104.9118.2172.4-61.9161.3000106.9I17 L31 F42 E47 I316 L318I17-I329 HydrophobicContact CD1-CG2 4.11Å; L31-I329 HydrophobicContact CD2-CD1 3.76Å; F42-I329 HydrophobicContact CB-CD1 3.66Å; F42-I329 HydrophobicContact CD1-CD1 4.44Å; F42-I329 HydrophobicContact CD1-CG2 3.84Å; F42-I329 HydrophobicContact CD2-CG2 4.4Å; F42-I329 HydrophobicContact CE1-CG2 3.81Å; F42-I329 HydrophobicContact CE2-CG2 4.37Å; F42-I329 HydrophobicContact CG-CD1 4.01Å; F42-I329 HydrophobicContact CG-CG2 4.15Å; F42-I329 HydrophobicContact CZ-CG2 4.08Å; E47-I329 HydrophobicContact CB-CG1 4.17Å; I316-I329 HydrophobicContact CB-CB 4.37Å; I316-I329 PolarHBondContact N-O 3.13Å; I316-I329 PolarHBondContact O-N 2.71Å; L318-I329 HydrophobicContact CD1-CD1 4.24Å
330Q86.7Confident80.2Confident22 Ų2251.8 Ų51.810%0.10329%0.286CS..EExtended strand (participates in β ladder)trans-129.9118.8-179.4-173.116113.200110.4K315 V333 L370K315-Q330 HydrophobicContact CB-CB 4.49Å; K315-Q330 HydrophobicContact CB-CG 4.16Å; K315-Q330 HydrophobicContact CG-CB 4.25Å; K315-Q330 HydrophobicContact CG-CG 4.33Å; Q330-V333 HydrophobicContact CG-CG2 4.42Å; Q330-V333 VanDerWaalsContact NE2-CG2 3.29Å; Q330-L370 HydrophobicContact CB-CB 4.08Å; Q330-L370 HydrophobicContact CB-CD2 4.16Å; Q330-L370 HydrophobicContact CG-CB 4.13Å; Q330-L370 HydrophobicContact CG-CD2 3.68Å; Q330-L370 WeakPolarHBondContact O-CB 3.27Å; Q330-L370 PolarHBondContact O-N 3.24Å
331G84.4Confident79.7Confident6 Ų650.2 Ų50.26%0.06228%0.281CS..  trans-82.2-174.8170.300000111.6N314 V333N314-G331 PolarHBondContact O-N 3.21Å; N314-G331 VanDerWaalsContact O-N 3.11Å; G331-V333 PolarHBondContact O-N 3.27Å
332L85.4Confident79.8Confident1 Ų148.2 Ų48.21%0.00527%0.265CS..  trans-59.7127.2176-167.670.9000110.9N314 L353 Y363 L667N314-L332 PolarHBondContact ND2-O 3.26Å; L332-L353 HydrophobicContact CD1-CD1 3.91Å; L332-L353 HydrophobicContact CD1-CD2 3.88Å; L332-L353 HydrophobicContact CD1-CG 4.45Å; L332-Y363 HydrophobicContact CB-CD2 4.48Å; L332-Y363 HydrophobicContact CB-CE2 4.12Å; L332-Y363 HydrophobicContact CD1-CD1 4.16Å; L332-Y363 HydrophobicContact CD1-CD2 4.01Å; L332-Y363 HydrophobicContact CD1-CE2 4.41Å; L332-Y363 HydrophobicContact CD1-CG 3.84Å; L332-L667 HydrophobicContact CD2-CB 4.48Å
333V81.3Confident80.1Confident5 Ų545.7 Ų45.73%0.0325%0.246CC..  trans-86.5124.8178.8-172.10000109.5D313 Q330 G331 K356 Q361D313-V333 HydrophobicContact CB-CG1 4.23Å; D313-V333 WeakPolarHBondContact O-CG2 3.5Å; Q330-V333 HydrophobicContact CG-CG2 4.42Å; Q330-V333 VanDerWaalsContact NE2-CG2 3.29Å; G331-V333 PolarHBondContact O-N 3.27Å; V333-K356 HydrophobicContact CG1-CG 4.26Å; V333-Q361 PolarHBondContact O-NE2 2.83Å
334K73.1Confident80.4Confident86 Ų8645.6 Ų45.637%0.37425%0.245SC..  trans-88.9111174-57-168.8173.9-167.30109.4G14 L664 M665 D666G14-K334 WeakPolarHBondContact O-CE 3.11Å; G14-K334 PolarHBondContact O-NZ 2.94Å; K334-L664 WeakPolarHBondContact CD-O 3.28Å; K334-L664 WeakPolarHBondContact CE-O 3.47Å; K334-L664 PolarHBondContact NZ-O 2.9Å; K334-M665 HydrophobicContact CB-CB 4.15Å; K334-M665 HydrophobicContact CB-CG 4.42Å; K334-M665 HydrophobicContact CD-CB 3.88Å; K334-M665 HydrophobicContact CG-CB 3.68Å; K334-M665 HydrophobicContact CG-CG 4.48Å; K334-D666 IonicContact NZ-OD1 3.52Å; K334-D666 PolarHBondContact NZ-OD1 3.07Å
335G65.5Low80.4Confident19 Ų1939 Ų3920%0.19622%0.217CC..  trans-78.7149.1169.200000111.3A337G335-A337 PolarHBondContact O-N 3.19Å
336E60.3Low80.2Confident212 Ų21238.3 Ų38.399%0.99121%0.214SC*.SBendtrans-61.7-26.1178.5-68.2-172.9160.500113
337A61.5Low80Confident58 Ų5840 Ų4048%0.47921%0.212SC..  trans-148.1109.5170.900000110.9G335 Q339G335-A337 PolarHBondContact O-N 3.19Å; A337-Q339 PolarHBondContact O-N 2.88Å
338V64.8Low79.8Confident34 Ų3441.8 Ų41.821%0.20623%0.225CC..  trans-80.8108.4169.31770000109.1N354 M665V338-N354 HydrophobicContact CG1-CB 4.33Å; V338-N354 HydrophobicContact CG2-CB 4.38Å; V338-M665 HydrophobicContact CB-SD 4.1Å; V338-M665 HydrophobicContact CG2-CE 3.51Å; V338-M665 HydrophobicContact CG2-CG 4.32Å; V338-M665 HydrophobicContact CG2-SD 3.38Å; V338-M665 WeakPolarHBondContact CG2-SD 3.45Å
339Q73.8Confident79.5Confident56 Ų5642 Ų4226%0.26222%0.224SC..  trans-93.1-31.9176.8-61.4-163.821.800112.2A337 V393 R633A337-Q339 PolarHBondContact O-N 2.88Å; Q339-V393 CarbonylContact C-O 3.59Å; Q339-V393 HydrophobicContact CB-CG1 4.39Å; Q339-R633 PolarHBondContact O-NH2 2.89Å
340T78.8Confident79.4Confident2 Ų241.7 Ų41.71%0.01222%0.222CC..SBendtrans-68.6158.1-18057.40000112.9N354 V392 V393 A395 R633T340-N354 VanDerWaalsContact CG2-CG 3.47Å; T340-N354 WeakPolarHBondContact CG2-OD1 3.48Å; T340-N354 PolarHBondContact OG1-N 2.63Å; T340-N354 PolarHBondContact OG1-ND2 2.99Å; T340-N354 PolarHBondContact OG1-OD1 2.8Å; T340-V392 HydrophobicContact CG2-CG1 3.94Å; T340-V393 VanDerWaalsContact CA-O 3.31Å; T340-V393 WeakPolarHBondContact CA-O 3.23Å; T340-V393 PolarHBondContact N-O 3.12Å; T340-A395 HydrophobicContact CG2-CB 4.43Å; T340-R633 PolarHBondContact O-NE 3.04Å
341D80.1Confident79.5Confident57 Ų5740.7 Ų40.731%0.30522%0.217SC..PPolyproline II helixtrans-76.4161.9166.2-65.3-27.3000111.2R505 R633D341-R505 IonicContact OD2-CZ 3.97Å; D341-R505 IonicContact OD2-NH1 2.88Å; D341-R505 IonicContact OD2-NH2 2.7Å; D341-R505 PolarHBondContact OD2-NH2 3.14Å; D341-R633 WeakPolarHBondContact OD1-CD 3.41Å; D341-R633 IonicContact OD1-CZ 3.91Å; D341-R633 IonicContact OD1-NE 3.67Å; D341-R633 PolarHBondContact OD1-NE 2.91Å; D341-R633 IonicContact OD1-NH2 3.95Å
342L86.5Confident79.8Confident14 Ų1440.4 Ų40.47%0.07322%0.215CC..PPolyproline II helixtrans-90.2132.4177.6-168.463.6000109.2L351 L353 R633 V635 L661L342-L351 HydrophobicContact CD1-CD1 3.54Å; L342-L351 HydrophobicContact CD1-CD2 3.86Å; L342-L351 HydrophobicContact CD1-CG 3.59Å; L342-L351 HydrophobicContact CD2-CD1 3.94Å; L342-L351 HydrophobicContact CG-CD1 3.62Å; L342-L351 HydrophobicContact CG-CG 4.25Å; L342-L353 HydrophobicContact CD1-CB 3.89Å; L342-L353 HydrophobicContact CD1-CD2 4.35Å; L342-R633 HydrophobicContact CB-CB 3.81Å; L342-V635 HydrophobicContact CB-CB 4.36Å; L342-V635 HydrophobicContact CD2-CB 4.17Å; L342-V635 HydrophobicContact CD2-CG1 3.67Å; L342-V635 HydrophobicContact CG-CB 4.11Å; L342-V635 HydrophobicContact CG-CG1 3.73Å; L342-L661 HydrophobicContact CD1-CD1 3.87Å; L342-L661 HydrophobicContact CD2-CD1 4.08Å; L342-L661 HydrophobicContact CD2-CG 4.23Å
343M89.6Confident79.9Confident23 Ų2340.5 Ų40.511%0.11322%0.215CC..EExtended strand (participates in β ladder)trans-141163.6-174.548.7157.379.700110.4V352 A395 T396 L397M343-V352 HydrophobicContact CG-CB 3.65Å; M343-V352 HydrophobicContact CG-CG1 4.17Å; M343-V352 VanDerWaalsContact CG-O 3.23Å; M343-V352 WeakPolarHBondContact CG-O 3.41Å; M343-V352 PolarHBondContact N-O 3.16Å; M343-V352 PolarHBondContact O-N 2.97Å; M343-V352 HydrophobicContact SD-CB 3.63Å; M343-V352 HydrophobicContact SD-CG1 3.66Å; M343-V352 HydrophobicContact SD-CG2 4.48Å; M343-A395 HydrophobicContact CE-CB 3.47Å; M343-A395 VanDerWaalsContact CE-CB 3.47Å; M343-A395 WeakPolarHBondContact CE-O 3.49Å; M343-A395 HydrophobicContact SD-CB 4.48Å; M343-T396 VanDerWaalsContact CE-CA 3.44Å; M343-L397 HydrophobicContact SD-CD1 3.61Å; M343-L397 HydrophobicContact SD-CG 3.78Å
344V89.4Confident80Confident24 Ų2440.8 Ų40.815%0.14522%0.216CC..EExtended strand (participates in β ladder)trans-121.3130.1177.3178.60000108P346 A350 L351 V635 A637V344-P346 WeakPolarHBondContact O-CD 3.43Å; V344-A350 WeakPolarHBondContact CA-O 3.15Å; V344-L351 HydrophobicContact CG2-CD1 4.35Å; V344-V635 HydrophobicContact CG2-CG1 3.81Å; V344-V635 HydrophobicContact CG2-CG2 3.89Å; V344-A637 HydrophobicContact CG1-CB 4.46Å; V344-A637 HydrophobicContact CG2-CB 3.82Å
345D87.8Confident80.2Confident3 Ų336.9 Ų36.92%0.01620%0.2CC..  trans-70.8117.2169174.410.4000108.6R347 S348 K349 A350 V352 F362 L397D345-R347 PolarHBondContact O-N 2.87Å; D345-R347 IonicContact OD1-CZ 2.72Å; D345-R347 PolarHBondContact OD1-N 3.44Å; D345-R347 VanDerWaalsContact OD1-N 3.09Å; D345-R347 IonicContact OD1-NE 3.33Å; D345-R347 PolarHBondContact OD1-NE 2.83Å; D345-R347 IonicContact OD1-NH2 2.6Å; D345-R347 IonicContact OD2-CZ 3.39Å; D345-R347 IonicContact OD2-NE 3.5Å; D345-R347 IonicContact OD2-NH2 3.86Å; D345-R347 PolarHBondContact OD2-NH2 2.81Å; D345-S348 WeakPolarHBondContact CB-OG 3.38Å; D345-S348 VanDerWaalsContact CG-OG 3.24Å; D345-S348 WeakPolarHBondContact OD2-CB 3.27Å; D345-S348 PolarHBondContact OD2-OG 2.83Å; D345-K349 WeakPolarHBondContact O-CA 3.46Å; D345-K349 PolarHBondContact O-N 2.84Å; D345-A350 PolarHBondContact N-O 2.95Å; D345-V352 HydrophobicContact CB-CG2 4.22Å; D345-F362 HydrophobicContact CB-CE1 4.45Å; D345-L397 HydrophobicContact CB-CD1 4.09Å
346P82.8Confident80.8Confident52 Ų5238 Ų3834%0.33820%0.2SC..THydrogen-bonded Turntrans-61.4-20.8-176.724-34.1000113.4V344 G399V344-P346 WeakPolarHBondContact O-CD 3.43Å; P346-G399 WeakPolarHBondContact CG-O 3.32Å
347R82.5Confident81.7Confident86 Ų8631 Ų3133%0.32517%0.172SC..THydrogen-bonded Turntrans-89.6-54.3-174.6-55.7164-59.1165.514.5112D345 K349 A400 G401 F426D345-R347 PolarHBondContact O-N 2.87Å; D345-R347 IonicContact OD1-CZ 2.72Å; D345-R347 PolarHBondContact OD1-N 3.44Å; D345-R347 VanDerWaalsContact OD1-N 3.09Å; D345-R347 IonicContact OD1-NE 3.33Å; D345-R347 PolarHBondContact OD1-NE 2.83Å; D345-R347 IonicContact OD1-NH2 2.6Å; D345-R347 IonicContact OD2-CZ 3.39Å; D345-R347 IonicContact OD2-NE 3.5Å; D345-R347 IonicContact OD2-NH2 3.86Å; D345-R347 PolarHBondContact OD2-NH2 2.81Å; R347-K349 VanDerWaalsContact C-N 3.33Å; R347-A400 WeakPolarHBondContact CD-O 3.06Å; R347-A400 WeakPolarHBondContact CG-O 3.34Å; R347-G401 PolarHBondContact NE-O 2.77Å; R347-G401 PolarHBondContact NH1-O 3.27Å; R347-G401 PolarHBondContact NH2-O 3.07Å; R347-F426 VanDerWaalsContact NH1-CD2 3.32Å; R347-F426 VanDerWaalsContact NH1-CE1 3.34Å; R347-F426 VanDerWaalsContact NH2-CE2 3.28Å
348S82.4Confident82.6Confident47 Ų4728.5 Ų28.533%0.32915%0.152SC..THydrogen-bonded Turntrans-83.3-13.2178.762.10000112.8D345 A350D345-S348 WeakPolarHBondContact CB-OG 3.38Å; D345-S348 VanDerWaalsContact CG-OG 3.24Å; D345-S348 WeakPolarHBondContact OD2-CB 3.27Å; D345-S348 PolarHBondContact OD2-OG 2.83Å; S348-A350 PolarHBondContact O-N 3.41Å; S348-A350 VanDerWaalsContact OG-CB 3.24Å; S348-A350 WeakPolarHBondContact OG-CB 3.44Å; S348-A350 PolarHBondContact OG-N 3.47Å
349K84Confident83.6Confident69 Ų6928.8 Ų28.830%0.315%0.151SC..  trans53.820-168.7-56173.5-166.2157.60112.5D345 R347 P638 E640D345-K349 WeakPolarHBondContact O-CA 3.46Å; D345-K349 PolarHBondContact O-N 2.84Å; R347-K349 VanDerWaalsContact C-N 3.33Å; K349-P638 HydrophobicContact CG-CG 4.44Å; K349-E640 HydrophobicContact CD-CG 3.84Å; K349-E640 WeakPolarHBondContact CD-OE1 3.39Å; K349-E640 VanDerWaalsContact NZ-CG 3.29Å; K349-E640 IonicContact NZ-OE1 2.69Å; K349-E640 PolarHBondContact NZ-OE1 2.85Å
350A87.5Confident84.3Confident0 Ų026.2 Ų26.20%014%0.139CC..  trans-77.3144.7177.700000109.9V344 D345 S348 F362 Y363 L371V344-A350 WeakPolarHBondContact CA-O 3.15Å; D345-A350 PolarHBondContact N-O 2.95Å; S348-A350 PolarHBondContact O-N 3.41Å; S348-A350 VanDerWaalsContact OG-CB 3.24Å; S348-A350 WeakPolarHBondContact OG-CB 3.44Å; S348-A350 PolarHBondContact OG-N 3.47Å; A350-F362 HydrophobicContact CB-CB 4.46Å; A350-Y363 CarbonylContact C-O 3.54Å; A350-Y363 WeakPolarHBondContact CA-O 3.47Å; A350-L371 HydrophobicContact CB-CD1 3.79Å
351L89.2Confident84.8Confident0 Ų026.1 Ų26.10%014%0.139CC..EExtended strand (participates in β ladder)trans-73.8127170.9-166.769.9000108.9L342 V344 L353 Y363 L365 V635 L667L342-L351 HydrophobicContact CD1-CD1 3.54Å; L342-L351 HydrophobicContact CD1-CD2 3.86Å; L342-L351 HydrophobicContact CD1-CG 3.59Å; L342-L351 HydrophobicContact CD2-CD1 3.94Å; L342-L351 HydrophobicContact CG-CD1 3.62Å; L342-L351 HydrophobicContact CG-CG 4.25Å; V344-L351 HydrophobicContact CG2-CD1 4.35Å; L351-L353 HydrophobicContact CB-CD2 4.37Å; L351-L353 HydrophobicContact CD2-CD2 3.87Å; L351-L353 HydrophobicContact CG-CD2 3.87Å; L351-Y363 PolarHBondContact N-O 2.86Å; L351-Y363 PolarHBondContact O-N 3.42Å; L351-L365 HydrophobicContact CB-CD1 4.48Å; L351-L365 HydrophobicContact CB-CD2 4.25Å; L351-L365 HydrophobicContact CB-CG 4.38Å; L351-L365 HydrophobicContact CD2-CD2 4.19Å; L351-V635 HydrophobicContact CD1-CG1 3.66Å; L351-L667 HydrophobicContact CD2-CD1 3.86Å; L351-L667 HydrophobicContact CD2-CD2 4Å
352V89.8Confident85.2Confident1 Ų123.4 Ų23.41%0.00612%0.124CC..EExtended strand (participates in β ladder)trans-111.1126.3177.2-176.50000109.2M343 D345 Q361 F362 L397M343-V352 HydrophobicContact CG-CB 3.65Å; M343-V352 HydrophobicContact CG-CG1 4.17Å; M343-V352 VanDerWaalsContact CG-O 3.23Å; M343-V352 WeakPolarHBondContact CG-O 3.41Å; M343-V352 PolarHBondContact N-O 3.16Å; M343-V352 PolarHBondContact O-N 2.97Å; M343-V352 HydrophobicContact SD-CB 3.63Å; M343-V352 HydrophobicContact SD-CG1 3.66Å; M343-V352 HydrophobicContact SD-CG2 4.48Å; D345-V352 HydrophobicContact CB-CG2 4.22Å; V352-Q361 WeakPolarHBondContact CA-O 3.49Å; V352-F362 HydrophobicContact CB-CE1 4.4Å; V352-F362 HydrophobicContact CG1-CE1 4.23Å; V352-F362 HydrophobicContact CG1-CE2 4.31Å; V352-F362 HydrophobicContact CG1-CZ 4.07Å; V352-F362 HydrophobicContact CG2-CD1 3.29Å; V352-F362 HydrophobicContact CG2-CE1 3.31Å; V352-F362 HydrophobicContact CG2-CG 3.97Å; V352-F362 HydrophobicContact CG2-CZ 4.01Å; V352-L397 HydrophobicContact CG2-CD1 4.23Å
353L86.9Confident85.3Confident2 Ų222.9 Ų22.91%0.0112%0.121CC..EExtended strand (participates in β ladder)trans-151.3171-178.861.1145.9000110.9L332 L342 L351 G355 Q361 M665L332-L353 HydrophobicContact CD1-CD1 3.91Å; L332-L353 HydrophobicContact CD1-CD2 3.88Å; L332-L353 HydrophobicContact CD1-CG 4.45Å; L342-L353 HydrophobicContact CD1-CB 3.89Å; L342-L353 HydrophobicContact CD1-CD2 4.35Å; L351-L353 HydrophobicContact CB-CD2 4.37Å; L351-L353 HydrophobicContact CD2-CD2 3.87Å; L351-L353 HydrophobicContact CG-CD2 3.87Å; L353-G355 PolarHBondContact O-N 3.12Å; L353-Q361 HydrophobicContact CD1-CG 4.27Å; L353-Q361 HydrophobicContact CD2-CG 3.94Å; L353-Q361 HydrophobicContact CG-CG 3.57Å; L353-Q361 PolarHBondContact N-O 2.61Å; L353-Q361 WeakPolarHBondContact O-CG 3.46Å; L353-Q361 PolarHBondContact O-N 2.93Å; L353-M665 HydrophobicContact CD1-CE 3.47Å; L353-M665 VanDerWaalsContact CD1-CE 3.47Å
354N84.3Confident85.1Confident12 Ų1222.5 Ų22.56%0.06412%0.121CC..EExtended strand (participates in β ladder)trans-63.9134.3169.1-82.1-6.9000110.6V338 T340 L360 Q361 V392V338-N354 HydrophobicContact CG1-CB 4.33Å; V338-N354 HydrophobicContact CG2-CB 4.38Å; T340-N354 VanDerWaalsContact CG2-CG 3.47Å; T340-N354 WeakPolarHBondContact CG2-OD1 3.48Å; T340-N354 PolarHBondContact OG1-N 2.63Å; T340-N354 PolarHBondContact OG1-ND2 2.99Å; T340-N354 PolarHBondContact OG1-OD1 2.8Å; N354-L360 WeakPolarHBondContact OD1-CD2 3.22Å; N354-Q361 PolarHBondContact O-NE2 2.89Å; N354-V392 PolarHBondContact ND2-O 3.4Å
355G78Confident84.5Confident3 Ų322.2 Ų22.23%0.03112%0.118CC..  trans-106.1-119.4171.100000110.5L353 H359L353-G355 PolarHBondContact O-N 3.12Å; G355-H359 PolarHBondContact N-O 2.81Å
356K77.2Confident83.9Confident44 Ų4428.4 Ų28.419%0.19115%0.147CC..SBendtrans-60.6155.7169.8-65.3-179.4-178.1-174.20110.6G292 D313 V333 G358 H359G292-K356 PolarHBondContact O-NZ 3.37Å; D313-K356 VanDerWaalsContact CB-CE 3.47Å; D313-K356 WeakPolarHBondContact OD2-CE 3.44Å; D313-K356 IonicContact OD2-NZ 3.67Å; D313-K356 PolarHBondContact OD2-NZ 2.84Å; V333-K356 HydrophobicContact CG1-CG 4.26Å; K356-G358 PolarHBondContact O-N 2.66Å; K356-G358 VanDerWaalsContact O-N 3.17Å; K356-H359 HydrophobicContact CB-CB 4.15Å; K356-H359 PolarHBondContact O-N 2.81Å
357P78.3Confident83.3Confident64 Ų6432.9 Ų32.942%0.41616%0.157SC..THydrogen-bonded Turntrans-49.3125.2171.5-25.234.1000110.8H359P357-H359 VanDerWaalsContact C-N 3.32Å; P357-H359 PolarHBondContact O-CD2 3.26Å; P357-H359 VanDerWaalsContact O-CD2 3.29Å; P357-H359 PolarHBondContact O-N 3.44Å
358G80.7Confident83.1Confident5 Ų530.1 Ų30.15%0.05215%0.149CC..THydrogen-bonded Turntrans81.4-1.5-178.200000116.4K356 V376 V377K356-G358 PolarHBondContact O-N 2.66Å; K356-G358 VanDerWaalsContact O-N 3.17Å; G358-V376 WeakPolarHBondContact O-CB 3.23Å; G358-V376 PolarHBondContact O-N 2.87Å; G358-V376 VanDerWaalsContact O-N 3.07Å; G358-V377 VanDerWaalsContact CA-CG2 3.47Å; G358-V377 PolarHBondContact O-N 2.9Å
359H86.3Confident83.1Confident41 Ų4131.5 Ų31.519%0.1915%0.147CC..EExtended strand (participates in β ladder)trans-115.4146.2-179.5-62.8-90.9000113G355 K356 P357 L374 D375G355-H359 PolarHBondContact N-O 2.81Å; K356-H359 HydrophobicContact CB-CB 4.15Å; K356-H359 PolarHBondContact O-N 2.81Å; P357-H359 VanDerWaalsContact C-N 3.32Å; P357-H359 PolarHBondContact O-CD2 3.26Å; P357-H359 VanDerWaalsContact O-CD2 3.29Å; P357-H359 PolarHBondContact O-N 3.44Å; H359-L374 VanDerWaalsContact CA-O 3.27Å; H359-L374 WeakPolarHBondContact CA-O 3.47Å; H359-D375 IonicContact CE1-OD1 3.91Å; H359-D375 IonicContact CE1-OD2 3.83Å; H359-D375 WeakPolarHBondContact ND1-CA 2.77Å; H359-D375 IonicContact ND1-OD1 2.78Å
360L89.4Confident83.1Confident1 Ų128.9 Ų28.91%0.00514%0.136CC..EExtended strand (participates in β ladder)trans-105133.1166.2-73.5172.6000109.8N354 N373 L374 V376 V392 A395 L404 T406N354-L360 WeakPolarHBondContact OD1-CD2 3.22Å; L360-N373 CarbonylContact O-C 3.54Å; L360-N373 WeakPolarHBondContact O-CA 3.4Å; L360-L374 HydrophobicContact CB-CB 4.38Å; L360-L374 PolarHBondContact N-O 3.27Å; L360-L374 PolarHBondContact O-N 2.86Å; L360-V376 HydrophobicContact CB-CG2 4.21Å; L360-V376 HydrophobicContact CD1-CG2 3.8Å; L360-V376 HydrophobicContact CG-CG2 3.81Å; L360-V392 HydrophobicContact CD1-CG1 4.46Å; L360-V392 HydrophobicContact CD2-CG1 4.14Å; L360-V392 HydrophobicContact CG-CG1 4.3Å; L360-A395 HydrophobicContact CD1-CB 3.92Å; L360-A395 HydrophobicContact CD2-CB 4.15Å; L360-L404 HydrophobicContact CD1-CD2 4.18Å; L360-T406 HydrophobicContact CD1-CG2 3.49Å; L360-T406 VanDerWaalsContact CD1-CG2 3.49Å
361Q88.4Confident82.9Confident0 Ų032.5 Ų32.50%016%0.155CC..EExtended strand (participates in β ladder)trans-106.4135.3-179.366.1177.7-34.800110.5V333 V352 L353 N354 L370 N373V333-Q361 PolarHBondContact O-NE2 2.83Å; V352-Q361 WeakPolarHBondContact CA-O 3.49Å; L353-Q361 HydrophobicContact CD1-CG 4.27Å; L353-Q361 HydrophobicContact CD2-CG 3.94Å; L353-Q361 HydrophobicContact CG-CG 3.57Å; L353-Q361 PolarHBondContact N-O 2.61Å; L353-Q361 WeakPolarHBondContact O-CG 3.46Å; L353-Q361 PolarHBondContact O-N 2.93Å; N354-Q361 PolarHBondContact O-NE2 2.89Å; Q361-L370 HydrophobicContact CB-CD1 3.64Å; Q361-N373 WeakPolarHBondContact CA-OD1 3.34Å; Q361-N373 VanDerWaalsContact CB-OD1 3.23Å; Q361-N373 WeakPolarHBondContact CB-OD1 3.46Å
362F89.4Confident82.6Confident0 Ų035.1 Ų35.10%017%0.167CC..EExtended strand (participates in β ladder)trans-106.5107.5174.6-70.8-105.3000108.9D345 A350 V352 L370 L371 F372 L374 F433D345-F362 HydrophobicContact CB-CE1 4.45Å; A350-F362 HydrophobicContact CB-CB 4.46Å; V352-F362 HydrophobicContact CB-CE1 4.4Å; V352-F362 HydrophobicContact CG1-CE1 4.23Å; V352-F362 HydrophobicContact CG1-CE2 4.31Å; V352-F362 HydrophobicContact CG1-CZ 4.07Å; V352-F362 HydrophobicContact CG2-CD1 3.29Å; V352-F362 HydrophobicContact CG2-CE1 3.31Å; V352-F362 HydrophobicContact CG2-CG 3.97Å; V352-F362 HydrophobicContact CG2-CZ 4.01Å; F362-L370 WeakPolarHBondContact O-CD1 3.44Å; F362-L371 HydrophobicContact CB-CB 4.43Å; F362-L371 WeakPolarHBondContact O-CB 3.32Å; F362-L371 PolarHBondContact O-N 2.78Å; F362-F372 HydrophobicContact CB-CD1 4.16Å; F362-F372 HydrophobicContact CB-CE1 3.98Å; F362-F372 HydrophobicContact CB-CZ 4.22Å; F362-F372 HydrophobicContact CD1-CE1 4.1Å; F362-F372 HydrophobicContact CD1-CE2 4.49Å; F362-F372 AromaticContact CD1-CZ 3.78Å; F362-F372 HydrophobicContact CD1-CZ 3.78Å; F362-F372 AromaticContact CD2-CD2 3.89Å; F362-F372 HydrophobicContact CD2-CD2 3.89Å; F362-F372 HydrophobicContact CD2-CE1 4.12Å; F362-F372 AromaticContact CD2-CE2 3.36Å; F362-F372 HydrophobicContact CD2-CE2 3.36Å; F362-F372 HydrophobicContact CD2-CG 4.46Å; F362-F372 AromaticContact CD2-CZ 3.49Å; F362-F372 HydrophobicContact CD2-CZ 3.49Å; F362-F372 VanDerWaalsContact CD2-CZ 3.49Å; F362-F372 AromaticContact CE1-CZ 4Å; F362-F372 HydrophobicContact CE1-CZ 4Å; F362-F372 HydrophobicContact CE2-CD2 4.37Å; F362-F372 AromaticContact CE2-CE2 3.51Å; F362-F372 HydrophobicContact CE2-CE2 3.51Å; F362-F372 AromaticContact CE2-CZ 3.72Å; F362-F372 HydrophobicContact CE2-CZ 3.72Å; F362-F372 HydrophobicContact CG-CD1 4.37Å; F362-F372 HydrophobicContact CG-CD2 4.46Å; F362-F372 AromaticContact CG-CE1 3.8Å; F362-F372 HydrophobicContact CG-CE1 3.8Å; F362-F372 AromaticContact CG-CE2 3.92Å; F362-F372 HydrophobicContact CG-CE2 3.92Å; F362-F372 AromaticContact CG-CZ 3.55Å; F362-F372 HydrophobicContact CG-CZ 3.55Å; F362-F372 HydrophobicContact CZ-CE2 4.17Å; F362-F372 AromaticContact CZ-CZ 3.99Å; F362-F372 HydrophobicContact CZ-CZ 3.99Å; F362-F372 PolarHBondContact N-O 3.43Å; F362-L374 HydrophobicContact CE2-CB 4.19Å; F362-F433 HydrophobicContact CE1-CD2 4.35Å; F362-F433 AromaticContact CE1-CE2 3.58Å; F362-F433 HydrophobicContact CE1-CE2 3.58Å; F362-F433 HydrophobicContact CE1-CZ 4.42Å; F362-F433 HydrophobicContact CE2-CD2 4.32Å; F362-F433 HydrophobicContact CE2-CE2 4.33Å; F362-F433 AromaticContact CZ-CD2 3.73Å; F362-F433 HydrophobicContact CZ-CD2 3.73Å; F362-F433 AromaticContact CZ-CE2 3.35Å; F362-F433 HydrophobicContact CZ-CE2 3.35Å; F362-F433 HydrophobicContact CZ-CZ 4.33Å
363Y88.3Confident82.5Confident3 Ų337.6 Ų37.61%0.01218%0.18CC..EExtended strand (participates in β ladder)trans-110.9121.5-171-169.3-101.5000112.1L332 A350 L351 L365 D368 L370L332-Y363 HydrophobicContact CB-CD2 4.48Å; L332-Y363 HydrophobicContact CB-CE2 4.12Å; L332-Y363 HydrophobicContact CD1-CD1 4.16Å; L332-Y363 HydrophobicContact CD1-CD2 4.01Å; L332-Y363 HydrophobicContact CD1-CE2 4.41Å; L332-Y363 HydrophobicContact CD1-CG 3.84Å; A350-Y363 CarbonylContact C-O 3.54Å; A350-Y363 WeakPolarHBondContact CA-O 3.47Å; L351-Y363 PolarHBondContact N-O 2.86Å; L351-Y363 PolarHBondContact O-N 3.42Å; Y363-L365 HydrophobicContact CD1-CD2 4.02Å; Y363-L365 HydrophobicContact CE1-CD2 4.34Å; Y363-D368 PolarHBondContact OH-OD1 2.89Å; Y363-L370 HydrophobicContact CD2-CB 4.32Å; Y363-L370 HydrophobicContact CD2-CD1 4.45Å
364S84.7Confident82.5Confident16 Ų1638.2 Ų38.211%0.11218%0.183CC..EExtended strand (participates in β ladder)trans-82.8124.7174.5-176.60000110.5D368 R369S364-D368 WeakPolarHBondContact O-CA 3.28Å; S364-D368 PolarHBondContact O-N 2.79Å; S364-R369 PolarHBondContact N-O 3.22Å; S364-R369 PolarHBondContact O-N 3.01Å
365L77.6Confident82.6Confident17 Ų1740.4 Ų40.49%0.08920%0.195CC..THydrogen-bonded Turntrans-76.5-35.3-178-61.1173.2000112.7L351 Y363 Y659 L667L351-L365 HydrophobicContact CB-CD1 4.48Å; L351-L365 HydrophobicContact CB-CD2 4.25Å; L351-L365 HydrophobicContact CB-CG 4.38Å; L351-L365 HydrophobicContact CD2-CD2 4.19Å; Y363-L365 HydrophobicContact CD1-CD2 4.02Å; Y363-L365 HydrophobicContact CE1-CD2 4.34Å; L365-Y659 HydrophobicContact CD1-CD1 4.16Å; L365-Y659 HydrophobicContact CD1-CD2 3.83Å; L365-Y659 HydrophobicContact CD1-CE1 3.83Å; L365-Y659 HydrophobicContact CD1-CE2 3.47Å; L365-Y659 VanDerWaalsContact CD1-CE2 3.47Å; L365-Y659 HydrophobicContact CD1-CG 4.14Å; L365-Y659 VanDerWaalsContact CD1-CZ 3.46Å; L365-Y659 HydrophobicContact CD2-CE1 4.3Å; L365-Y659 HydrophobicContact CG-CE1 4.49Å; L365-L667 HydrophobicContact CD2-CD2 3.3Å
366Q73.8Confident83Confident133 Ų13340.3 Ų40.362%0.62119%0.194SC*.THydrogen-bonded Turntrans-71.6-42.6-177.3-68.7-179-10.100112.6E640Q366-E640 VanDerWaalsContact NE2-CG 3.28Å; Q366-E640 PolarHBondContact NE2-OE2 2.97Å; Q366-E640 PolarHBondContact OE1-OE2 2.74Å
367R71.6Confident83.2Confident146 Ų14638.9 Ų38.955%0.55119%0.189SC*.THydrogen-bonded Turntrans-92.1-3.7-177.6-61.8-172-173.5172.61.4113R369R367-R369 HydrophobicContact CB-CB 4.2Å; R367-R369 PolarHBondContact O-N 3.04Å
368D78.1Confident83.2Confident28 Ų2841.8 Ų41.815%0.1520%0.197CC..THydrogen-bonded Turntrans48.445.4-174.7-16551.7000111.9K40 Y363 S364K40-D368 IonicContact NZ-OD2 3.72Å; K40-D368 PolarHBondContact NZ-OD2 3.34Å; Y363-D368 PolarHBondContact OH-OD1 2.89Å; S364-D368 WeakPolarHBondContact O-CA 3.28Å; S364-D368 PolarHBondContact O-N 2.79Å
369R81.4Confident82.6Confident76 Ų7645.1 Ų45.129%0.28721%0.211SC..EExtended strand (participates in β ladder)trans-135.2137.5-171177.6174174.7-173.50.7110.4E47 S364 R367 L371E47-R369 IonicContact OE2-CZ 3.26Å; E47-R369 VanDerWaalsContact OE2-CZ 3.26Å; E47-R369 IonicContact OE2-NE 3.22Å; E47-R369 IonicContact OE2-NH1 3.25Å; E47-R369 IonicContact OE2-NH2 2.72Å; E47-R369 PolarHBondContact OE2-NH2 3.27Å; S364-R369 PolarHBondContact N-O 3.22Å; S364-R369 PolarHBondContact O-N 3.01Å; R367-R369 HydrophobicContact CB-CB 4.2Å; R367-R369 PolarHBondContact O-N 3.04Å; R369-L371 PolarHBondContact O-N 3.41Å
370L85Confident81.6Confident14 Ų1451.5 Ų51.57%0.07324%0.241CC..EExtended strand (participates in β ladder)trans-70.2122.9166.2-176.177.4000110.6Q330 Q361 F362 Y363 N373Q330-L370 HydrophobicContact CB-CB 4.08Å; Q330-L370 HydrophobicContact CB-CD2 4.16Å; Q330-L370 HydrophobicContact CG-CB 4.13Å; Q330-L370 HydrophobicContact CG-CD2 3.68Å; Q330-L370 WeakPolarHBondContact O-CB 3.27Å; Q330-L370 PolarHBondContact O-N 3.24Å; Q361-L370 HydrophobicContact CB-CD1 3.64Å; F362-L370 WeakPolarHBondContact O-CD1 3.44Å; Y363-L370 HydrophobicContact CD2-CB 4.32Å; Y363-L370 HydrophobicContact CD2-CD1 4.45Å; L370-N373 VanDerWaalsContact CD2-ND2 3.28Å; L370-N373 WeakPolarHBondContact CD2-ND2 3.31Å; L370-N373 WeakPolarHBondContact CD2-OD1 3.34Å
371L83.6Confident80.2Confident77 Ų7756.9 Ų56.940%0.40326%0.264SS..EExtended strand (participates in β ladder)trans-76.6-56.1177.7-62.7179.6000111.2A350 F362 R369A350-L371 HydrophobicContact CB-CD1 3.79Å; F362-L371 HydrophobicContact CB-CB 4.43Å; F362-L371 WeakPolarHBondContact O-CB 3.32Å; F362-L371 PolarHBondContact O-N 2.78Å; R369-L371 PolarHBondContact O-N 3.41Å
372F82.8Confident78.9Confident55 Ų5561.9 Ų61.924%0.24129%0.29CS..EExtended strand (participates in β ladder)trans-159.5160.1173.764.7-85.6000111.7F362 F433F362-F372 HydrophobicContact CB-CD1 4.16Å; F362-F372 HydrophobicContact CB-CE1 3.98Å; F362-F372 HydrophobicContact CB-CZ 4.22Å; F362-F372 HydrophobicContact CD1-CE1 4.1Å; F362-F372 HydrophobicContact CD1-CE2 4.49Å; F362-F372 AromaticContact CD1-CZ 3.78Å; F362-F372 HydrophobicContact CD1-CZ 3.78Å; F362-F372 AromaticContact CD2-CD2 3.89Å; F362-F372 HydrophobicContact CD2-CD2 3.89Å; F362-F372 HydrophobicContact CD2-CE1 4.12Å; F362-F372 AromaticContact CD2-CE2 3.36Å; F362-F372 HydrophobicContact CD2-CE2 3.36Å; F362-F372 HydrophobicContact CD2-CG 4.46Å; F362-F372 AromaticContact CD2-CZ 3.49Å; F362-F372 HydrophobicContact CD2-CZ 3.49Å; F362-F372 VanDerWaalsContact CD2-CZ 3.49Å; F362-F372 AromaticContact CE1-CZ 4Å; F362-F372 HydrophobicContact CE1-CZ 4Å; F362-F372 HydrophobicContact CE2-CD2 4.37Å; F362-F372 AromaticContact CE2-CE2 3.51Å; F362-F372 HydrophobicContact CE2-CE2 3.51Å; F362-F372 AromaticContact CE2-CZ 3.72Å; F362-F372 HydrophobicContact CE2-CZ 3.72Å; F362-F372 HydrophobicContact CG-CD1 4.37Å; F362-F372 HydrophobicContact CG-CD2 4.46Å; F362-F372 AromaticContact CG-CE1 3.8Å; F362-F372 HydrophobicContact CG-CE1 3.8Å; F362-F372 AromaticContact CG-CE2 3.92Å; F362-F372 HydrophobicContact CG-CE2 3.92Å; F362-F372 AromaticContact CG-CZ 3.55Å; F362-F372 HydrophobicContact CG-CZ 3.55Å; F362-F372 HydrophobicContact CZ-CE2 4.17Å; F362-F372 AromaticContact CZ-CZ 3.99Å; F362-F372 HydrophobicContact CZ-CZ 3.99Å; F362-F372 PolarHBondContact N-O 3.43Å; F372-F433 HydrophobicContact CE2-CD2 4.32Å; F372-F433 HydrophobicContact CZ-CD2 4.19Å; F372-F433 HydrophobicContact CZ-CE2 4.33Å
373N86Confident77.3Confident52 Ų5267.2 Ų67.228%0.27832%0.315SS..EExtended strand (participates in β ladder)trans-108.3124.2171.2-76-39.1000109.1L360 Q361 L370L360-N373 CarbonylContact O-C 3.54Å; L360-N373 WeakPolarHBondContact O-CA 3.4Å; Q361-N373 WeakPolarHBondContact CA-OD1 3.34Å; Q361-N373 VanDerWaalsContact CB-OD1 3.23Å; Q361-N373 WeakPolarHBondContact CB-OD1 3.46Å; L370-N373 VanDerWaalsContact CD2-ND2 3.28Å; L370-N373 WeakPolarHBondContact CD2-ND2 3.31Å; L370-N373 WeakPolarHBondContact CD2-OD1 3.34Å
374L87.5Confident75.9Confident15 Ų1573.2 Ų73.28%0.07934%0.343CS..EExtended strand (participates in β ladder)trans-88121.4171-178.265.8000109.1H359 L360 F362 V376 L404 W424 F433H359-L374 VanDerWaalsContact CA-O 3.27Å; H359-L374 WeakPolarHBondContact CA-O 3.47Å; L360-L374 HydrophobicContact CB-CB 4.38Å; L360-L374 PolarHBondContact N-O 3.27Å; L360-L374 PolarHBondContact O-N 2.86Å; F362-L374 HydrophobicContact CE2-CB 4.19Å; L374-V376 HydrophobicContact CD2-CG2 4.27Å; L374-V376 HydrophobicContact CG-CG2 4.25Å; L374-V376 PolarHBondContact O-N 2.74Å; L374-L404 HydrophobicContact CD2-CD2 3.51Å; L374-W424 HydrophobicContact CD1-CE3 4.27Å; L374-W424 HydrophobicContact CD1-CZ3 4.14Å; L374-W424 HydrophobicContact CD2-CD2 4.28Å; L374-W424 HydrophobicContact CD2-CE3 4.38Å; L374-F433 HydrophobicContact CD1-CB 4.03Å; L374-F433 HydrophobicContact CD2-CB 3.92Å; L374-F433 HydrophobicContact CD2-CG 4.45Å
375D86.8Confident74.6Confident59 Ų5981.3 Ų81.332%0.31638%0.379SS..EExtended strand (participates in β ladder)trans-81.3103.6169-173.70.9000109.7H359 V377 Q378H359-D375 IonicContact CE1-OD1 3.91Å; H359-D375 IonicContact CE1-OD2 3.83Å; H359-D375 WeakPolarHBondContact ND1-CA 2.77Å; H359-D375 IonicContact ND1-OD1 2.78Å; D375-V377 PolarHBondContact OD1-N 3.45Å; D375-Q378 WeakPolarHBondContact OD1-CA 2.89Å; D375-Q378 PolarHBondContact OD1-N 3.37Å; D375-Q378 WeakPolarHBondContact OD2-CA 3.49Å
376V86.3Confident73.7Confident0 Ų084.2 Ų84.20%041%0.413CS..SBendtrans-82.5-45.9-175.9-171.80000109.4G358 L360 L374 V392 T406 E408 K422 W424G358-V376 WeakPolarHBondContact O-CB 3.23Å; G358-V376 PolarHBondContact O-N 2.87Å; G358-V376 VanDerWaalsContact O-N 3.07Å; L360-V376 HydrophobicContact CB-CG2 4.21Å; L360-V376 HydrophobicContact CD1-CG2 3.8Å; L360-V376 HydrophobicContact CG-CG2 3.81Å; L374-V376 HydrophobicContact CD2-CG2 4.27Å; L374-V376 HydrophobicContact CG-CG2 4.25Å; L374-V376 PolarHBondContact O-N 2.74Å; V376-V392 HydrophobicContact CB-CG2 3.78Å; V376-V392 HydrophobicContact CG1-CG2 4Å; V376-V392 HydrophobicContact CG2-CG2 3.99Å; V376-T406 HydrophobicContact CG1-CG2 4.06Å; V376-T406 VanDerWaalsContact CG1-OG1 3.24Å; V376-T406 WeakPolarHBondContact CG1-OG1 3.46Å; V376-T406 HydrophobicContact CG2-CG2 4.44Å; V376-E408 VanDerWaalsContact C-OE1 3.27Å; V376-E408 HydrophobicContact CG1-CG 4.29Å; V376-E408 WeakPolarHBondContact CG1-OE1 3.37Å; V376-K422 HydrophobicContact CG1-CD 4.45Å; V376-K422 PolarHBondContact O-NZ 3.01Å; V376-W424 HydrophobicContact CB-CZ2 4.13Å; V376-W424 HydrophobicContact CG1-CZ2 3.63Å
377V82.4Confident73.5Confident15 Ų1582.3 Ų82.39%0.09141%0.407CS..SBendtrans-79.2-31.8-172.1171.70000112.6G358 D375 Q379 F390 E408G358-V377 VanDerWaalsContact CA-CG2 3.47Å; G358-V377 PolarHBondContact O-N 2.9Å; D375-V377 PolarHBondContact OD1-N 3.45Å; V377-Q379 VanDerWaalsContact C-N 3.33Å; V377-Q379 HydrophobicContact CG1-CB 3.79Å; V377-Q379 VanDerWaalsContact CG1-CD 3.44Å; V377-Q379 HydrophobicContact CG1-CG 3.49Å; V377-Q379 VanDerWaalsContact CG1-CG 3.49Å; V377-Q379 PolarHBondContact O-N 2.89Å; V377-F390 HydrophobicContact CB-CB 4.38Å; V377-F390 HydrophobicContact CG1-CB 3.72Å; V377-F390 HydrophobicContact CG1-CD2 4.34Å; V377-F390 HydrophobicContact CG1-CG 4.37Å; V377-F390 HydrophobicContact CG2-CB 3.65Å; V377-E408 WeakPolarHBondContact CA-OE1 3.43Å; V377-E408 HydrophobicContact CG2-CG 4.27Å; V377-E408 PolarHBondContact N-OE1 2.89Å
378Q76.3Confident73.4Confident124 Ų12479.3 Ų79.358%0.57940%0.401SS*.  trans57.741.1-177.2-59-178-1400113.4D375D375-Q378 WeakPolarHBondContact OD1-CA 2.89Å; D375-Q378 PolarHBondContact OD1-N 3.37Å; D375-Q378 WeakPolarHBondContact OD2-CA 3.49Å
379Q69.4Low73.2Confident76 Ų7680 Ų8036%0.35540%0.404SS..  trans-101.9137.7176.5-82.4178.1-5.300111.7V377 F381V377-Q379 VanDerWaalsContact C-N 3.33Å; V377-Q379 HydrophobicContact CG1-CB 3.79Å; V377-Q379 VanDerWaalsContact CG1-CD 3.44Å; V377-Q379 HydrophobicContact CG1-CG 3.49Å; V377-Q379 VanDerWaalsContact CG1-CG 3.49Å; V377-Q379 PolarHBondContact O-N 2.89Å; Q379-F381 PolarHBondContact O-N 2.79Å; Q379-F381 VanDerWaalsContact O-N 3.13Å
380E64.8Low73.2Confident175 Ų17577.2 Ų77.282%0.81839%0.394SS*.  trans-62.4114.5171-69.2-67165.100109.4I382E380-I382 VanDerWaalsContact C-N 3.28Å; E380-I382 PolarHBondContact O-N 2.8Å
381F61Low73.2Confident113 Ų11380.2 Ų80.250%0.49641%0.408SS..  trans-76.282-179.7-164.2-93.1000109.9Q379 H383Q379-F381 PolarHBondContact O-N 2.79Å; Q379-F381 VanDerWaalsContact O-N 3.13Å; F381-H383 HydrophobicContact CE1-CB 4.34Å; F381-H383 PolarHBondContact O-N 3.48Å
382I60.7Low73.4Confident106 Ų10676.7 Ų76.754%0.54439%0.389SS..  trans-84.1112.3168.5-56.1174.6000106.5E380 Q384E380-I382 VanDerWaalsContact C-N 3.28Å; E380-I382 PolarHBondContact O-N 2.8Å; I382-Q384 HydrophobicContact CG2-CB 4.26Å; I382-Q384 PolarHBondContact O-N 2.74Å
383H55.3Low73.6Confident111 Ų11174.4 Ų74.451%0.51438%0.38SS..  trans-71.875.8174.7-170.9-67.5000109.7F381F381-H383 HydrophobicContact CE1-CB 4.34Å; F381-H383 PolarHBondContact O-N 3.48Å
384Q58.4Low73.7Confident129 Ų12973.1 Ų73.160%0.60337%0.372SS*.  trans-113.7121.5170.6-170.5171.41.500108.2I382 G386 L387I382-Q384 HydrophobicContact CG2-CB 4.26Å; I382-Q384 PolarHBondContact O-N 2.74Å; Q384-G386 PolarHBondContact O-N 2.9Å; Q384-L387 HydrophobicContact CB-CD1 3.94Å; Q384-L387 HydrophobicContact CB-CG 4.45Å; Q384-L387 PolarHBondContact O-N 3.47Å
385E57.3Low73.9Confident186 Ų18673 Ų7387%0.86937%0.374SS*.THydrogen-bonded Turntrans-55.3126.6177.5-65.5177.2173.100109.8
386G60Low74Confident78 Ų7871.3 Ų71.380%0.80437%0.365SS*.THydrogen-bonded Turntrans97.78.8175.700000117Q384Q384-G386 PolarHBondContact O-N 2.9Å
387L68.3Low74.2Confident93 Ų9372.4 Ų72.449%0.48737%0.371SS..  trans-89.8111.8171-72.9174.3000111.7Q384 Q389Q384-L387 HydrophobicContact CB-CD1 3.94Å; Q384-L387 HydrophobicContact CB-CG 4.45Å; Q384-L387 PolarHBondContact O-N 3.47Å; L387-Q389 PolarHBondContact O-N 3.21Å
388D69.4Low74.5Confident83 Ų8371.8 Ų71.844%0.44437%0.367SS..  trans-73.9105.9170-67.4-32.3000110.5R410D388-R410 PolarHBondContact O-NE 2.78Å; D388-R410 PolarHBondContact O-NH2 3.13Å
389Q75.6Confident74.6Confident43 Ų4368.5 Ų68.520%0.20137%0.367CS..  trans-85.7158.3176.5-64177.40.200111.3L387 Q391L387-Q389 PolarHBondContact O-N 3.21Å; Q389-Q391 PolarHBondContact O-N 2.48Å
390F81.1Confident75.2Confident18 Ų1868 Ų688%0.07938%0.375CS..  trans-63.9138.3169.2-74.1-99.8000109.5V377 E408 R410 E418V377-F390 HydrophobicContact CB-CB 4.38Å; V377-F390 HydrophobicContact CG1-CB 3.72Å; V377-F390 HydrophobicContact CG1-CD2 4.34Å; V377-F390 HydrophobicContact CG1-CG 4.37Å; V377-F390 HydrophobicContact CG2-CB 3.65Å; F390-E408 HydrophobicContact CB-CB 4.49Å; F390-E408 HydrophobicContact CD1-CB 4.02Å; F390-R410 HydrophobicContact CD1-CB 3.53Å; F390-R410 HydrophobicContact CD2-CB 4.16Å; F390-R410 HydrophobicContact CD2-CG 4.46Å; F390-R410 HydrophobicContact CE1-CB 3.54Å; F390-R410 HydrophobicContact CE2-CB 4.22Å; F390-R410 HydrophobicContact CE2-CG 4.48Å; F390-R410 HydrophobicContact CG-CB 3.85Å; F390-R410 HydrophobicContact CZ-CB 3.91Å; F390-E418 HydrophobicContact CE1-CB 4.03Å; F390-E418 HydrophobicContact CZ-CB 4.27Å; F390-E418 VanDerWaalsContact CZ-OE2 3.29Å; F390-E418 WeakPolarHBondContact CZ-OE2 3.38Å
391Q84.2Confident76.1Confident77 Ų7759.7 Ų59.736%0.3634%0.337SS..EExtended strand (participates in β ladder)trans-113.2141.8173.2-63.8-174.21.700109.6Q389 V393 E408 E409Q389-Q391 PolarHBondContact O-N 2.48Å; Q391-V393 PolarHBondContact O-N 3.11Å; Q391-E408 WeakPolarHBondContact O-CA 3.42Å; Q391-E409 PolarHBondContact N-O 3.23Å; Q391-E409 PolarHBondContact O-N 2.96Å
392V87.6Confident77.4Confident2 Ų256.2 Ų56.21%0.01233%0.329CS..EExtended strand (participates in β ladder)trans-76.5113169.8-1740000107.4T340 N354 L360 V376T340-V392 HydrophobicContact CG2-CG1 3.94Å; N354-V392 PolarHBondContact ND2-O 3.4Å; L360-V392 HydrophobicContact CD1-CG1 4.46Å; L360-V392 HydrophobicContact CD2-CG1 4.14Å; L360-V392 HydrophobicContact CG-CG1 4.3Å; V376-V392 HydrophobicContact CB-CG2 3.78Å; V376-V392 HydrophobicContact CG1-CG2 4Å; V376-V392 HydrophobicContact CG2-CG2 3.99Å
393V86.5Confident78.8Confident8 Ų852.3 Ų52.35%0.04831%0.307CS..EExtended strand (participates in β ladder)trans-93-37.6-176.5-178.40000111Q339 T340 Q391 V407 E409 R446Q339-V393 CarbonylContact C-O 3.59Å; Q339-V393 HydrophobicContact CB-CG1 4.39Å; T340-V393 VanDerWaalsContact CA-O 3.31Å; T340-V393 WeakPolarHBondContact CA-O 3.23Å; T340-V393 PolarHBondContact N-O 3.12Å; Q391-V393 PolarHBondContact O-N 3.11Å; V393-V407 PolarHBondContact N-O 3.28Å; V393-E409 HydrophobicContact CB-CB 4.48Å; V393-E409 HydrophobicContact CG2-CB 3.33Å; V393-E409 HydrophobicContact CG2-CG 4.4Å; V393-E409 WeakPolarHBondContact CG2-OE2 3.48Å; V393-R446 VanDerWaalsContact CG1-NH2 3.29Å
394M88.6Confident80.6Confident24 Ų2447 Ų4712%0.11828%0.283CS..EExtended strand (participates in β ladder)trans-139.8145-179.7-55.1-173.2-68.100109.8T406 V407 I447 V450M394-T406 CarbonylContact O-C 3.52Å; M394-T406 WeakPolarHBondContact O-CA 3.28Å; M394-V407 HydrophobicContact CB-CB 4.2Å; M394-V407 HydrophobicContact CB-CG2 4.45Å; M394-V407 HydrophobicContact CE-CB 3.93Å; M394-V407 HydrophobicContact CE-CG1 4.07Å; M394-V407 HydrophobicContact CE-CG2 3.79Å; M394-V407 PolarHBondContact N-O 3.41Å; M394-V407 PolarHBondContact O-N 2.89Å; M394-I447 HydrophobicContact CE-CB 3.43Å; M394-I447 VanDerWaalsContact CE-CB 3.43Å; M394-I447 HydrophobicContact CE-CG2 3.45Å; M394-I447 VanDerWaalsContact CE-CG2 3.45Å; M394-V450 HydrophobicContact CE-CG2 3.65Å
395A91.8Very high82.2Confident13 Ų1340.9 Ų40.911%0.10725%0.254CS..EExtended strand (participates in β ladder)trans-134.9148.1166.700000107.1T340 M343 L360 L404 A405 T406T340-A395 HydrophobicContact CG2-CB 4.43Å; M343-A395 HydrophobicContact CE-CB 3.47Å; M343-A395 VanDerWaalsContact CE-CB 3.47Å; M343-A395 WeakPolarHBondContact CE-O 3.49Å; M343-A395 HydrophobicContact SD-CB 4.48Å; L360-A395 HydrophobicContact CD1-CB 3.92Å; L360-A395 HydrophobicContact CD2-CB 4.15Å; A395-L404 HydrophobicContact CB-CD1 4.39Å; A395-A405 CarbonylContact C-O 3.58Å; A395-A405 VanDerWaalsContact CA-O 3.24Å; A395-A405 WeakPolarHBondContact CA-O 3.48Å; A395-T406 HydrophobicContact CB-CG2 4.34Å
396T90.1Very high83.9Confident23 Ų2332 Ų3214%0.14121%0.213CC..EExtended strand (participates in β ladder)trans-143.6146.3166.9-175.10000109.8M343 L404 A405 V450 F452 L463M343-T396 VanDerWaalsContact CE-CA 3.44Å; T396-L404 WeakPolarHBondContact O-CD1 3.24Å; T396-A405 HydrophobicContact CG2-CB 3.86Å; T396-A405 PolarHBondContact N-O 2.99Å; T396-A405 PolarHBondContact O-N 2.77Å; T396-V450 HydrophobicContact CG2-CB 4.2Å; T396-V450 HydrophobicContact CG2-CG1 3.66Å; T396-F452 HydrophobicContact CG2-CD2 3.61Å; T396-F452 HydrophobicContact CG2-CE2 3.74Å; T396-F452 WeakPolarHBondContact O-CE2 3.32Å; T396-L463 HydrophobicContact CG2-CD1 4.16Å
397L89.8Confident85.5Confident23 Ų2328.5 Ų28.512%0.1218%0.176CC..EExtended strand (participates in β ladder)trans-110.9147.2177.6-77.9168.1000109.5M343 D345 V352 L404 F433 F452M343-L397 HydrophobicContact SD-CD1 3.61Å; M343-L397 HydrophobicContact SD-CG 3.78Å; D345-L397 HydrophobicContact CB-CD1 4.09Å; V352-L397 HydrophobicContact CG2-CD1 4.23Å; L397-L404 HydrophobicContact CD2-CB 3.7Å; L397-L404 HydrophobicContact CD2-CD1 3.57Å; L397-L404 HydrophobicContact CD2-CG 4.19Å; L397-L404 HydrophobicContact CG-CD1 3.84Å; L397-F433 HydrophobicContact CD2-CE1 4.28Å; L397-F433 HydrophobicContact CD2-CZ 3.88Å; L397-F452 VanDerWaalsContact C-CD2 3.48Å
398D88.1Confident86.5Confident3 Ų324.2 Ų24.22%0.01615%0.153CC..  trans-62.1147.6164.9167.113000110.4A400 G401 W403 F452 T460D398-A400 PolarHBondContact O-N 2.62Å; D398-A400 PolarHBondContact OD1-N 3.29Å; D398-G401 WeakPolarHBondContact O-CA 3.35Å; D398-G401 PolarHBondContact O-N 2.95Å; D398-W403 HydrophobicContact CB-CB 4.2Å; D398-W403 PolarHBondContact N-O 3.06Å; D398-F452 HydrophobicContact CB-CG 4.42Å; D398-T460 HydrophobicContact CB-CG2 4.03Å; D398-T460 VanDerWaalsContact CG-OG1 3.27Å; D398-T460 WeakPolarHBondContact OD1-CG2 3.48Å; D398-T460 WeakPolarHBondContact OD2-CG2 3.26Å; D398-T460 PolarHBondContact OD2-OG1 2.81Å
399G79.5Confident87.4Confident55 Ų5520.9 Ų20.957%0.56714%0.135SC*.THydrogen-bonded Turntrans-56.1-25.1171.100000115.1P346P346-G399 WeakPolarHBondContact CG-O 3.32Å
400A81Confident87.9Confident65 Ų6521.7 Ų21.754%0.53714%0.136SC..THydrogen-bonded Turntrans-88.4-12.8169.900000113.6R347 D398 A402R347-A400 WeakPolarHBondContact CD-O 3.06Å; R347-A400 WeakPolarHBondContact CG-O 3.34Å; D398-A400 PolarHBondContact O-N 2.62Å; D398-A400 PolarHBondContact OD1-N 3.29Å; A400-A402 VanDerWaalsContact C-N 3.27Å; A400-A402 PolarHBondContact O-N 2.85Å
401G84.2Confident87.7Confident0 Ų026.6 Ų26.60%016%0.157CC..SBendtrans76.15.6-175.800000114.7R347 D398R347-G401 PolarHBondContact NE-O 2.77Å; R347-G401 PolarHBondContact NH1-O 3.27Å; R347-G401 PolarHBondContact NH2-O 3.07Å; D398-G401 WeakPolarHBondContact O-CA 3.35Å; D398-G401 PolarHBondContact O-N 2.95Å
402A87.7Confident87.2Confident40 Ų4026.1 Ų26.133%0.33116%0.155SC..SBendtrans-71.2-32.2-177.800000113A400 F426A400-A402 VanDerWaalsContact C-N 3.27Å; A400-A402 PolarHBondContact O-N 2.85Å; A402-F426 PolarHBondContact O-N 3.15Å
403W90.4Very high86.2Confident24 Ų2435.3 Ų35.39%0.09120%0.198CC..EExtended strand (participates in β ladder)trans-120.6142.1-179.1-65.494.9000111.9D398 W424 A425 N436 F452 L477 W490D398-W403 HydrophobicContact CB-CB 4.2Å; D398-W403 PolarHBondContact N-O 3.06Å; W403-W424 WeakPolarHBondContact CA-O 3.48Å; W403-A425 HydrophobicContact CE3-CB 4.03Å; W403-A425 HydrophobicContact CH2-CB 3.9Å; W403-A425 HydrophobicContact CZ2-CB 4.48Å; W403-A425 HydrophobicContact CZ3-CB 3.63Å; W403-N436 HydrophobicContact CH2-CB 4.41Å; W403-N436 WeakPolarHBondContact CH2-ND2 3.22Å; W403-N436 HydrophobicContact CZ3-CB 3.9Å; W403-F452 HydrophobicContact CB-CE1 4.21Å; W403-F452 HydrophobicContact CB-CZ 3.99Å; W403-L477 HydrophobicContact CH2-CD1 3.79Å; W403-L477 HydrophobicContact CZ2-CD1 3.81Å; W403-L477 HydrophobicContact CZ2-CD2 3.74Å; W403-L477 HydrophobicContact CZ2-CG 4.45Å; W403-W490 AromaticContact CD2-CZ2 3.96Å; W403-W490 HydrophobicContact CD2-CZ2 3.96Å; W403-W490 AromaticContact CD2-NE1 3.82Å; W403-W490 HydrophobicContact CE3-CZ2 4.29Å; W403-W490 AromaticContact CE3-NE1 3.32Å; W403-W490 VanDerWaalsContact CE3-NE1 3.32Å; W403-W490 HydrophobicContact CG-CZ2 4.11Å; W403-W490 AromaticContact CH2-NE1 3.54Å; W403-W490 AromaticContact CZ3-CD1 3.89Å; W403-W490 AromaticContact CZ3-NE1 3.17Å
404L92.1Very high85.1Confident0 Ų041.5 Ų41.50%024%0.236CC..EExtended strand (participates in β ladder)trans-122.6130.3171.8170.972.6000108.3L360 L374 A395 T396 L397 T406 W424 F433L360-L404 HydrophobicContact CD1-CD2 4.18Å; L374-L404 HydrophobicContact CD2-CD2 3.51Å; A395-L404 HydrophobicContact CB-CD1 4.39Å; T396-L404 WeakPolarHBondContact O-CD1 3.24Å; L397-L404 HydrophobicContact CD2-CB 3.7Å; L397-L404 HydrophobicContact CD2-CD1 3.57Å; L397-L404 HydrophobicContact CD2-CG 4.19Å; L397-L404 HydrophobicContact CG-CD1 3.84Å; L404-T406 HydrophobicContact CD1-CG2 4.26Å; L404-T406 HydrophobicContact CD2-CG2 4.01Å; L404-T406 HydrophobicContact CG-CG2 3.9Å; L404-W424 HydrophobicContact CB-CB 4.16Å; L404-W424 HydrophobicContact CD2-CG 4.31Å; L404-W424 PolarHBondContact N-O 3.22Å; L404-W424 PolarHBondContact O-N 2.7Å; L404-F433 HydrophobicContact CB-CD1 3.77Å; L404-F433 HydrophobicContact CB-CE1 3.61Å; L404-F433 HydrophobicContact CB-CG 4.47Å; L404-F433 HydrophobicContact CB-CZ 4.21Å; L404-F433 HydrophobicContact CD2-CD1 4.3Å; L404-F433 HydrophobicContact CD2-CD2 4.35Å; L404-F433 HydrophobicContact CD2-CG 4.17Å
405A93.1Very high84.3Confident1 Ų142.9 Ų42.91%0.00825%0.251CS..EExtended strand (participates in β ladder)trans-109.8131.4170.900000109.1A395 T396 L421 K422 L423 V450 F452 L463A395-A405 CarbonylContact C-O 3.58Å; A395-A405 VanDerWaalsContact CA-O 3.24Å; A395-A405 WeakPolarHBondContact CA-O 3.48Å; T396-A405 HydrophobicContact CG2-CB 3.86Å; T396-A405 PolarHBondContact N-O 2.99Å; T396-A405 PolarHBondContact O-N 2.77Å; A405-L421 HydrophobicContact CB-CD1 4.44Å; A405-K422 WeakPolarHBondContact CA-O 3.39Å; A405-L423 HydrophobicContact CB-CD2 3.5Å; A405-L423 VanDerWaalsContact CB-CD2 3.5Å; A405-V450 HydrophobicContact CB-CG1 4.33Å; A405-F452 HydrophobicContact CB-CE2 3.59Å; A405-F452 HydrophobicContact CB-CZ 3.63Å; A405-L463 HydrophobicContact CB-CD1 4.19Å; A405-L463 HydrophobicContact CB-CD2 3.93Å
406T93.8Very high83.3Confident0 Ų050.9 Ų50.90%029%0.287CS..EExtended strand (participates in β ladder)trans-128.1139.2178.361.30000110.3L360 V376 M394 A395 L404 K422 W424L360-T406 HydrophobicContact CD1-CG2 3.49Å; L360-T406 VanDerWaalsContact CD1-CG2 3.49Å; V376-T406 HydrophobicContact CG1-CG2 4.06Å; V376-T406 VanDerWaalsContact CG1-OG1 3.24Å; V376-T406 WeakPolarHBondContact CG1-OG1 3.46Å; V376-T406 HydrophobicContact CG2-CG2 4.44Å; M394-T406 CarbonylContact O-C 3.52Å; M394-T406 WeakPolarHBondContact O-CA 3.28Å; A395-T406 HydrophobicContact CB-CG2 4.34Å; L404-T406 HydrophobicContact CD1-CG2 4.26Å; L404-T406 HydrophobicContact CD2-CG2 4.01Å; L404-T406 HydrophobicContact CG-CG2 3.9Å; T406-K422 PolarHBondContact N-O 2.87Å; T406-K422 PolarHBondContact O-N 2.87Å; T406-K422 WeakPolarHBondContact OG1-CB 3.45Å; T406-W424 PolarHBondContact OG1-NE1 3.13Å
407V92.1Very high82.7Confident3 Ų351.8 Ų51.82%0.01830%0.296CS..EExtended strand (participates in β ladder)trans-113.9123.6175179.60000109.4V393 M394 N420 L421 I447 V450V393-V407 PolarHBondContact N-O 3.28Å; M394-V407 HydrophobicContact CB-CB 4.2Å; M394-V407 HydrophobicContact CB-CG2 4.45Å; M394-V407 HydrophobicContact CE-CB 3.93Å; M394-V407 HydrophobicContact CE-CG1 4.07Å; M394-V407 HydrophobicContact CE-CG2 3.79Å; M394-V407 PolarHBondContact N-O 3.41Å; M394-V407 PolarHBondContact O-N 2.89Å; V407-N420 WeakPolarHBondContact CA-O 3Å; V407-L421 HydrophobicContact CG2-CD1 3.79Å; V407-I447 HydrophobicContact CB-CD1 4.48Å; V407-I447 HydrophobicContact CG1-CB 4.48Å; V407-I447 HydrophobicContact CG1-CD1 3.66Å; V407-I447 HydrophobicContact CG1-CG1 4.27Å; V407-I447 HydrophobicContact CG2-CD1 3.92Å; V407-V450 HydrophobicContact CG2-CG2 3.82Å
408E90.9Very high82.5Confident3 Ų354.8 Ų54.81%0.01431%0.309CS..EExtended strand (participates in β ladder)trans-101.3137.2175.9-55.1173.9161.700109.3V376 V377 F390 Q391 L419 N420 K422V376-E408 VanDerWaalsContact C-OE1 3.27Å; V376-E408 HydrophobicContact CG1-CG 4.29Å; V376-E408 WeakPolarHBondContact CG1-OE1 3.37Å; V377-E408 WeakPolarHBondContact CA-OE1 3.43Å; V377-E408 HydrophobicContact CG2-CG 4.27Å; V377-E408 PolarHBondContact N-OE1 2.89Å; F390-E408 HydrophobicContact CB-CB 4.49Å; F390-E408 HydrophobicContact CD1-CB 4.02Å; Q391-E408 WeakPolarHBondContact O-CA 3.42Å; E408-L419 WeakPolarHBondContact O-CA 3.14Å; E408-N420 HydrophobicContact CB-CB 4.26Å; E408-N420 PolarHBondContact N-O 2.75Å; E408-N420 PolarHBondContact O-N 3.33Å; E408-N420 VanDerWaalsContact O-N 3.07Å; E408-N420 PolarHBondContact OE2-ND2 2.92Å; E408-K422 VanDerWaalsContact CD-NZ 3.32Å; E408-K422 WeakPolarHBondContact OE1-CD 3.39Å; E408-K422 VanDerWaalsContact OE1-CE 3.23Å; E408-K422 WeakPolarHBondContact OE1-CE 3.25Å; E408-K422 IonicContact OE1-NZ 3.92Å; E408-K422 PolarHBondContact OE1-NZ 2.93Å; E408-K422 VanDerWaalsContact OE2-CE 3.3Å; E408-K422 WeakPolarHBondContact OE2-CE 3.47Å; E408-K422 IonicContact OE2-NZ 3.97Å; E408-K422 PolarHBondContact OE2-NZ 2.81Å
409E87.8Confident82.6Confident13 Ų1354.8 Ų54.86%0.06131%0.309CS..EExtended strand (participates in β ladder)trans-127.3132.4172.8-171.3176-178.100108.6Q391 V393 K411 E418 L419 R446Q391-E409 PolarHBondContact N-O 3.23Å; Q391-E409 PolarHBondContact O-N 2.96Å; V393-E409 HydrophobicContact CB-CB 4.48Å; V393-E409 HydrophobicContact CG2-CB 3.33Å; V393-E409 HydrophobicContact CG2-CG 4.4Å; V393-E409 WeakPolarHBondContact CG2-OE2 3.48Å; E409-K411 VanDerWaalsContact CD-CE 3.46Å; E409-K411 HydrophobicContact CG-CG 4.28Å; E409-K411 WeakPolarHBondContact OE1-CE 3.39Å; E409-K411 IonicContact OE1-NZ 2.98Å; E409-E418 WeakPolarHBondContact CA-O 3.5Å; E409-L419 HydrophobicContact CB-CD2 3.91Å; E409-L419 HydrophobicContact CG-CD2 3.77Å; E409-R446 IonicContact OE1-NE 3.63Å; E409-R446 IonicContact OE2-CZ 3.72Å; E409-R446 IonicContact OE2-NE 3.73Å; E409-R446 PolarHBondContact OE2-NE 2.88Å; E409-R446 IonicContact OE2-NH2 3.34Å
410R86.4Confident83.2Confident61 Ų6154 Ų5423%0.2329%0.293CS..EExtended strand (participates in β ladder)trans-118.5121.6166.3-174.8-179.1-171.3-167.33.4109D388 F390 Q412 A417 E418D388-R410 PolarHBondContact O-NE 2.78Å; D388-R410 PolarHBondContact O-NH2 3.13Å; F390-R410 HydrophobicContact CD1-CB 3.53Å; F390-R410 HydrophobicContact CD2-CB 4.16Å; F390-R410 HydrophobicContact CD2-CG 4.46Å; F390-R410 HydrophobicContact CE1-CB 3.54Å; F390-R410 HydrophobicContact CE2-CB 4.22Å; F390-R410 HydrophobicContact CE2-CG 4.48Å; F390-R410 HydrophobicContact CG-CB 3.85Å; F390-R410 HydrophobicContact CZ-CB 3.91Å; R410-Q412 VanDerWaalsContact CZ-NE2 3.31Å; R410-A417 WeakPolarHBondContact O-CA 3.38Å; R410-E418 HydrophobicContact CB-CB 4.35Å; R410-E418 PolarHBondContact N-O 2.86Å; R410-E418 IonicContact NH1-OE2 2.81Å; R410-E418 PolarHBondContact O-N 3.38Å; R410-E418 VanDerWaalsContact O-N 3.07Å
411K75.9Confident83.8Confident120 Ų12051 Ų5152%0.52227%0.267SS..  trans-103.6116.6172.1-64.4-178.5-176.71740107.7E409E409-K411 VanDerWaalsContact CD-CE 3.46Å; E409-K411 HydrophobicContact CG-CG 4.28Å; E409-K411 WeakPolarHBondContact OE1-CE 3.39Å; E409-K411 IonicContact OE1-NZ 2.98Å
412Q74.5Confident84.2Confident68 Ų6851.9 Ų51.932%0.31827%0.271SS..  trans-98.1139.8162.1-67.7176.520.200107.2R410 T414 A415R410-Q412 VanDerWaalsContact CZ-NE2 3.31Å; Q412-T414 PolarHBondContact O-N 3.25Å; Q412-A415 HydrophobicContact CB-CB 4.09Å; Q412-A415 PolarHBondContact O-N 2.82Å
413E66Low84.5Confident194 Ų19450 Ų5091%0.90726%0.255SS*.THydrogen-bonded Turntrans-55.8-22.2-177.3-67.4-170.8152.400114
414T63.1Low84.6Confident138 Ų13849 Ų4985%0.84725%0.252SS*.THydrogen-bonded Turntrans-116.7-4.9-173.254.90000115.1Q412Q412-T414 PolarHBondContact O-N 3.25Å
415A71.4Confident84.5Confident54 Ų5450.2 Ų50.245%0.44626%0.262SS..SBendtrans-124.1164.1-174.800000113Q412Q412-A415 HydrophobicContact CB-CB 4.09Å; Q412-A415 PolarHBondContact O-N 2.82Å
416E70.7Confident84.3Confident181 Ų18152.1 Ų52.185%0.84627%0.27SS*.PPolyproline II helixtrans-62.1147.8172.1-66.5178.7171.900110.6E418E416-E418 PolarHBondContact O-N 2.87Å
417A77.3Confident84Confident41 Ų4155 Ų5534%0.33929%0.285SS..PPolyproline II helixtrans-69.9122.1-177.400000110.6R410R410-A417 WeakPolarHBondContact O-CA 3.38Å
418E87.1Confident83.6Confident86 Ų8662.1 Ų62.140%0.40232%0.318SS..EExtended strand (participates in β ladder)trans-81.6126.6175.5-64.6175.9165.200109.2F390 E409 R410 E416F390-E418 HydrophobicContact CE1-CB 4.03Å; F390-E418 HydrophobicContact CZ-CB 4.27Å; F390-E418 VanDerWaalsContact CZ-OE2 3.29Å; F390-E418 WeakPolarHBondContact CZ-OE2 3.38Å; E409-E418 WeakPolarHBondContact CA-O 3.5Å; R410-E418 HydrophobicContact CB-CB 4.35Å; R410-E418 PolarHBondContact N-O 2.86Å; R410-E418 IonicContact NH1-OE2 2.81Å; R410-E418 PolarHBondContact O-N 3.38Å; R410-E418 VanDerWaalsContact O-N 3.07Å; E416-E418 PolarHBondContact O-N 2.87Å
419L89.9Confident83.4Confident3 Ų367.4 Ų67.42%0.01635%0.353CS..EExtended strand (participates in β ladder)trans-121.5129.3-177.5-65.5170.5000110.8E408 E409 T441 P442 V445 I447E408-L419 WeakPolarHBondContact O-CA 3.14Å; E409-L419 HydrophobicContact CB-CD2 3.91Å; E409-L419 HydrophobicContact CG-CD2 3.77Å; L419-T441 WeakPolarHBondContact O-CA 3.43Å; L419-T441 PolarHBondContact O-N 2.84Å; L419-P442 WeakPolarHBondContact O-CD 3.38Å; L419-V445 WeakPolarHBondContact CD1-O 3.31Å; L419-I447 HydrophobicContact CD1-CG1 4.42Å
420N92.2Very high83Confident40 Ų4069.6 Ų69.621%0.21437%0.369CS..EExtended strand (participates in β ladder)trans-124.8129.4171.8-60.8-39.8000110V407 E408V407-N420 WeakPolarHBondContact CA-O 3Å; E408-N420 HydrophobicContact CB-CB 4.26Å; E408-N420 PolarHBondContact N-O 2.75Å; E408-N420 PolarHBondContact O-N 3.33Å; E408-N420 VanDerWaalsContact O-N 3.07Å; E408-N420 PolarHBondContact OE2-ND2 2.92Å
421L93Very high82.9Confident0 Ų072.5 Ų72.50%039%0.386CS..EExtended strand (participates in β ladder)trans-99.5117.3167171.567.8000108.2A405 V407 V439 P442 L463 W475A405-L421 HydrophobicContact CB-CD1 4.44Å; V407-L421 HydrophobicContact CG2-CD1 3.79Å; L421-V439 HydrophobicContact CB-CB 4.3Å; L421-V439 PolarHBondContact N-O 2.66Å; L421-V439 PolarHBondContact O-N 3.22Å; L421-P442 HydrophobicContact CB-CB 4.1Å; L421-P442 HydrophobicContact CB-CG 3.85Å; L421-P442 HydrophobicContact CD2-CB 4.42Å; L421-L463 HydrophobicContact CD2-CD2 4.47Å; L421-W475 HydrophobicContact CD2-CD2 4.28Å; L421-W475 HydrophobicContact CD2-CZ2 4.17Å
422K93.5Very high83.4Confident19 Ų1968.7 Ų68.78%0.08337%0.374CS..EExtended strand (participates in β ladder)trans-110.6136.6177.1-62.6-173.1173.8160.90110.2V376 A405 T406 E408 W424 L435 T438V376-K422 HydrophobicContact CG1-CD 4.45Å; V376-K422 PolarHBondContact O-NZ 3.01Å; A405-K422 WeakPolarHBondContact CA-O 3.39Å; T406-K422 PolarHBondContact N-O 2.87Å; T406-K422 PolarHBondContact O-N 2.87Å; T406-K422 WeakPolarHBondContact OG1-CB 3.45Å; E408-K422 VanDerWaalsContact CD-NZ 3.32Å; E408-K422 WeakPolarHBondContact OE1-CD 3.39Å; E408-K422 VanDerWaalsContact OE1-CE 3.23Å; E408-K422 WeakPolarHBondContact OE1-CE 3.25Å; E408-K422 IonicContact OE1-NZ 3.92Å; E408-K422 PolarHBondContact OE1-NZ 2.93Å; E408-K422 VanDerWaalsContact OE2-CE 3.3Å; E408-K422 WeakPolarHBondContact OE2-CE 3.47Å; E408-K422 IonicContact OE2-NZ 3.97Å; E408-K422 PolarHBondContact OE2-NZ 2.81Å; K422-W424 HydrophobicContact CB-CZ2 4.2Å; K422-W424 HydrophobicContact CD-CZ2 3.8Å; K422-L435 HydrophobicContact CB-CD1 3.78Å; K422-L435 HydrophobicContact CD-CD1 4.17Å; K422-L435 HydrophobicContact CG-CD1 4.2Å; K422-T438 HydrophobicContact CD-CG2 4.48Å; K422-T438 HydrophobicContact CG-CG2 4.11Å
423L92.8Very high84.1Confident0 Ų065.9 Ų65.90%036%0.361CS..EExtended strand (participates in β ladder)trans-119.5120.7-179.6-67.9162.1000109A405 N436 T437 F452 L463 W490A405-L423 HydrophobicContact CB-CD2 3.5Å; A405-L423 VanDerWaalsContact CB-CD2 3.5Å; L423-N436 PolarHBondContact O-N 2.77Å; L423-T437 PolarHBondContact N-O 2.79Å; L423-T437 PolarHBondContact O-N 3.04Å; L423-T437 VanDerWaalsContact O-N 3.13Å; L423-F452 HydrophobicContact CD2-CZ 4.24Å; L423-L463 HydrophobicContact CD1-CD2 4.41Å; L423-L463 HydrophobicContact CD2-CD2 3.52Å; L423-W490 HydrophobicContact CB-CG 4.42Å; L423-W490 HydrophobicContact CD1-CB 3.36Å; L423-W490 HydrophobicContact CD1-CD2 3.87Å; L423-W490 HydrophobicContact CD1-CE3 4.47Å; L423-W490 HydrophobicContact CD1-CG 3.37Å; L423-W490 HydrophobicContact CG-CG 4.37Å
424W92.3Very high85.3Confident4 Ų460.2 Ų60.22%0.01534%0.339CS..EExtended strand (participates in β ladder)trans-112.6131-173.5-46.877.4000109.6L374 V376 W403 L404 T406 K422 F433 V434 L435L374-W424 HydrophobicContact CD1-CE3 4.27Å; L374-W424 HydrophobicContact CD1-CZ3 4.14Å; L374-W424 HydrophobicContact CD2-CD2 4.28Å; L374-W424 HydrophobicContact CD2-CE3 4.38Å; V376-W424 HydrophobicContact CB-CZ2 4.13Å; V376-W424 HydrophobicContact CG1-CZ2 3.63Å; W403-W424 WeakPolarHBondContact CA-O 3.48Å; L404-W424 HydrophobicContact CB-CB 4.16Å; L404-W424 HydrophobicContact CD2-CG 4.31Å; L404-W424 PolarHBondContact N-O 3.22Å; L404-W424 PolarHBondContact O-N 2.7Å; T406-W424 PolarHBondContact OG1-NE1 3.13Å; K422-W424 HydrophobicContact CB-CZ2 4.2Å; K422-W424 HydrophobicContact CD-CZ2 3.8Å; W424-F433 HydrophobicContact CB-CB 3.96Å; W424-F433 HydrophobicContact CB-CD1 4.05Å; W424-F433 HydrophobicContact CB-CG 4.41Å; W424-F433 HydrophobicContact CE3-CB 4.44Å; W424-V434 CarbonylContact C-O 3.56Å; W424-V434 VanDerWaalsContact CA-O 3.32Å; W424-V434 WeakPolarHBondContact CA-O 3.32Å; W424-L435 HydrophobicContact CD2-CB 4.43Å; W424-L435 HydrophobicContact CD2-CD1 4.01Å; W424-L435 HydrophobicContact CE3-CB 3.8Å; W424-L435 HydrophobicContact CE3-CD1 4.21Å; W424-L435 HydrophobicContact CH2-CB 4.25Å; W424-L435 HydrophobicContact CH2-CD1 4.22Å; W424-L435 HydrophobicContact CZ2-CD1 4.02Å; W424-L435 HydrophobicContact CZ3-CB 3.71Å; W424-L435 HydrophobicContact CZ3-CD1 4.32Å; W424-L435 HydrophobicContact CZ3-CG 4.5Å
425A91Very high86.6Confident26 Ų2656.3 Ų56.322%0.21531%0.313CS..EExtended strand (participates in β ladder)trans-94.5137170.100000108.6W403 V434 N436W403-A425 HydrophobicContact CE3-CB 4.03Å; W403-A425 HydrophobicContact CH2-CB 3.9Å; W403-A425 HydrophobicContact CZ2-CB 4.48Å; W403-A425 HydrophobicContact CZ3-CB 3.63Å; A425-V434 PolarHBondContact N-O 3.42Å; A425-V434 PolarHBondContact O-N 3.03Å; A425-N436 HydrophobicContact CB-CB 4.48Å
426F88.9Confident87.5Confident41 Ų4156.6 Ų56.618%0.1831%0.307CS..EExtended strand (participates in β ladder)trans-78.5133171.9-172.9-102000111.5R347 A402 E428 Q431 F433R347-F426 VanDerWaalsContact NH1-CD2 3.32Å; R347-F426 VanDerWaalsContact NH1-CE1 3.34Å; R347-F426 VanDerWaalsContact NH2-CE2 3.28Å; A402-F426 PolarHBondContact O-N 3.15Å; F426-E428 HydrophobicContact CD1-CG 4.3Å; F426-E428 HydrophobicContact CE1-CG 4.32Å; F426-Q431 HydrophobicContact CZ-CB 4.45Å; F426-F433 HydrophobicContact CB-CD1 4.02Å; F426-F433 HydrophobicContact CB-CE1 3.81Å; F426-F433 HydrophobicContact CB-CZ 4.37Å; F426-F433 HydrophobicContact CD2-CD1 4.19Å; F426-F433 HydrophobicContact CD2-CD2 4.02Å; F426-F433 HydrophobicContact CD2-CE1 4.05Å; F426-F433 AromaticContact CD2-CE2 3.84Å; F426-F433 HydrophobicContact CD2-CE2 3.84Å; F426-F433 HydrophobicContact CD2-CG 4.19Å; F426-F433 AromaticContact CD2-CZ 3.88Å; F426-F433 HydrophobicContact CD2-CZ 3.88Å; F426-F433 HydrophobicContact CE2-CE2 4.35Å; F426-F433 HydrophobicContact CG-CE1 4.44Å
427D86.9Confident88.5Confident60 Ų6049 Ų4932%0.32127%0.273SS..EExtended strand (participates in β ladder)trans-104.8109.3175.7179.553.2000109.5P429 S430 Q431 S432 V434D427-P429 WeakPolarHBondContact OD1-CD 3.33Å; D427-P429 VanDerWaalsContact OD1-CG 3.26Å; D427-P429 WeakPolarHBondContact OD1-CG 3.39Å; D427-S430 WeakPolarHBondContact CB-OG 3.17Å; D427-S430 PolarHBondContact O-N 2.93Å; D427-S430 PolarHBondContact O-OG 2.99Å; D427-S430 WeakPolarHBondContact OD2-CB 3.22Å; D427-S430 PolarHBondContact OD2-N 2.89Å; D427-S430 PolarHBondContact OD2-OG 3.15Å; D427-Q431 WeakPolarHBondContact O-CA 3.41Å; D427-Q431 PolarHBondContact O-N 2.92Å; D427-S432 PolarHBondContact N-O 2.77Å; D427-S432 PolarHBondContact O-N 3.47Å; D427-V434 HydrophobicContact CB-CG2 3.86Å
428E84.3Confident89.2Confident153 Ų15351.2 Ų51.272%0.71528%0.282SS*.THydrogen-bonded Turntrans-56.3-43.8179.9-68.5-175.1173.800114.6F426 Q431F426-E428 HydrophobicContact CD1-CG 4.3Å; F426-E428 HydrophobicContact CE1-CG 4.32Å; E428-Q431 PolarHBondContact O-N 3.18Å; E428-Q431 PolarHBondContact O-NE2 3.06Å
429P86Confident89.4Confident114 Ų11448.4 Ų48.474%0.7427%0.271SS*.THydrogen-bonded Turntrans-67.7-36.918023.2-33.2000113.3D427D427-P429 WeakPolarHBondContact OD1-CD 3.33Å; D427-P429 VanDerWaalsContact OD1-CG 3.26Å; D427-P429 WeakPolarHBondContact OD1-CG 3.39Å
430S80.9Confident89.4Confident58 Ų5852.3 Ų52.341%0.40630%0.299SS..THydrogen-bonded Turntrans-85.1-9.9176.265.70000113.9D427 S432D427-S430 WeakPolarHBondContact CB-OG 3.17Å; D427-S430 PolarHBondContact O-N 2.93Å; D427-S430 PolarHBondContact O-OG 2.99Å; D427-S430 WeakPolarHBondContact OD2-CB 3.22Å; D427-S430 PolarHBondContact OD2-N 2.89Å; D427-S430 PolarHBondContact OD2-OG 3.15Å; S430-S432 WeakPolarHBondContact CB-OG 3.44Å; S430-S432 PolarHBondContact O-N 2.8Å; S430-S432 PolarHBondContact OG-OG 3.48Å
431Q83.8Confident89.2Confident123 Ų12355.1 Ų55.158%0.57532%0.317SS*.THydrogen-bonded Turntrans50.835.8-171.8-67.6-70.6-59.600112.1F426 D427 E428F426-Q431 HydrophobicContact CZ-CB 4.45Å; D427-Q431 WeakPolarHBondContact O-CA 3.41Å; D427-Q431 PolarHBondContact O-N 2.92Å; E428-Q431 PolarHBondContact O-N 3.18Å; E428-Q431 PolarHBondContact O-NE2 3.06Å
432S85.9Confident89Confident40 Ų4055.2 Ų55.228%0.2832%0.318SS..EExtended strand (participates in β ladder)trans-138.1159.8-173.778.60000112.1D427 S430D427-S432 PolarHBondContact N-O 2.77Å; D427-S432 PolarHBondContact O-N 3.47Å; S430-S432 WeakPolarHBondContact CB-OG 3.44Å; S430-S432 PolarHBondContact O-N 2.8Å; S430-S432 PolarHBondContact OG-OG 3.48Å
433F89.5Confident88.7Confident8 Ų854.5 Ų54.54%0.03532%0.315CS..EExtended strand (participates in β ladder)trans-88.7120.3175.3-76.8-81.8000109.9F362 F372 L374 L397 L404 W424 F426F362-F433 HydrophobicContact CE1-CD2 4.35Å; F362-F433 AromaticContact CE1-CE2 3.58Å; F362-F433 HydrophobicContact CE1-CE2 3.58Å; F362-F433 HydrophobicContact CE1-CZ 4.42Å; F362-F433 HydrophobicContact CE2-CD2 4.32Å; F362-F433 HydrophobicContact CE2-CE2 4.33Å; F362-F433 AromaticContact CZ-CD2 3.73Å; F362-F433 HydrophobicContact CZ-CD2 3.73Å; F362-F433 AromaticContact CZ-CE2 3.35Å; F362-F433 HydrophobicContact CZ-CE2 3.35Å; F362-F433 HydrophobicContact CZ-CZ 4.33Å; F372-F433 HydrophobicContact CE2-CD2 4.32Å; F372-F433 HydrophobicContact CZ-CD2 4.19Å; F372-F433 HydrophobicContact CZ-CE2 4.33Å; L374-F433 HydrophobicContact CD1-CB 4.03Å; L374-F433 HydrophobicContact CD2-CB 3.92Å; L374-F433 HydrophobicContact CD2-CG 4.45Å; L397-F433 HydrophobicContact CD2-CE1 4.28Å; L397-F433 HydrophobicContact CD2-CZ 3.88Å; L404-F433 HydrophobicContact CB-CD1 3.77Å; L404-F433 HydrophobicContact CB-CE1 3.61Å; L404-F433 HydrophobicContact CB-CG 4.47Å; L404-F433 HydrophobicContact CB-CZ 4.21Å; L404-F433 HydrophobicContact CD2-CD1 4.3Å; L404-F433 HydrophobicContact CD2-CD2 4.35Å; L404-F433 HydrophobicContact CD2-CG 4.17Å; W424-F433 HydrophobicContact CB-CB 3.96Å; W424-F433 HydrophobicContact CB-CD1 4.05Å; W424-F433 HydrophobicContact CB-CG 4.41Å; W424-F433 HydrophobicContact CE3-CB 4.44Å; F426-F433 HydrophobicContact CB-CD1 4.02Å; F426-F433 HydrophobicContact CB-CE1 3.81Å; F426-F433 HydrophobicContact CB-CZ 4.37Å; F426-F433 HydrophobicContact CD2-CD1 4.19Å; F426-F433 HydrophobicContact CD2-CD2 4.02Å; F426-F433 HydrophobicContact CD2-CE1 4.05Å; F426-F433 AromaticContact CD2-CE2 3.84Å; F426-F433 HydrophobicContact CD2-CE2 3.84Å; F426-F433 HydrophobicContact CD2-CG 4.19Å; F426-F433 AromaticContact CD2-CZ 3.88Å; F426-F433 HydrophobicContact CD2-CZ 3.88Å; F426-F433 HydrophobicContact CE2-CE2 4.35Å; F426-F433 HydrophobicContact CG-CE1 4.44Å
434V90.2Very high88.3Confident75 Ų7563 Ų6346%0.45536%0.355SS..EExtended strand (participates in β ladder)trans-101.2132.9176.9-1790000109.1W424 A425 D427 N436W424-V434 CarbonylContact C-O 3.56Å; W424-V434 VanDerWaalsContact CA-O 3.32Å; W424-V434 WeakPolarHBondContact CA-O 3.32Å; A425-V434 PolarHBondContact N-O 3.42Å; A425-V434 PolarHBondContact O-N 3.03Å; D427-V434 HydrophobicContact CB-CG2 3.86Å; V434-N436 PolarHBondContact O-N 2.84Å
435L91.1Very high88Confident56 Ų5666 Ų6629%0.29337%0.374SS..EExtended strand (participates in β ladder)trans-66.4123178.7-175.260.9000110.1K422 W424 T438K422-L435 HydrophobicContact CB-CD1 3.78Å; K422-L435 HydrophobicContact CD-CD1 4.17Å; K422-L435 HydrophobicContact CG-CD1 4.2Å; W424-L435 HydrophobicContact CD2-CB 4.43Å; W424-L435 HydrophobicContact CD2-CD1 4.01Å; W424-L435 HydrophobicContact CE3-CB 3.8Å; W424-L435 HydrophobicContact CE3-CD1 4.21Å; W424-L435 HydrophobicContact CH2-CB 4.25Å; W424-L435 HydrophobicContact CH2-CD1 4.22Å; W424-L435 HydrophobicContact CZ2-CD1 4.02Å; W424-L435 HydrophobicContact CZ3-CB 3.71Å; W424-L435 HydrophobicContact CZ3-CD1 4.32Å; W424-L435 HydrophobicContact CZ3-CG 4.5Å; L435-T438 HydrophobicContact CD1-CG2 3.89Å; L435-T438 HydrophobicContact CD2-CG2 3.58Å; L435-T438 HydrophobicContact CG-CG2 3.98Å
436N90.4Very high87.8Confident60 Ų6068.6 Ų68.632%0.32138%0.378SS..EExtended strand (participates in β ladder)trans-100.4-56.7176.1-178.9-44.6000110.4W403 L423 A425 V434 P488W403-N436 HydrophobicContact CH2-CB 4.41Å; W403-N436 WeakPolarHBondContact CH2-ND2 3.22Å; W403-N436 HydrophobicContact CZ3-CB 3.9Å; L423-N436 PolarHBondContact O-N 2.77Å; A425-N436 HydrophobicContact CB-CB 4.48Å; V434-N436 PolarHBondContact O-N 2.84Å; N436-P488 PolarHBondContact ND2-O 3.4Å; N436-P488 PolarHBondContact OD1-O 2.92Å; N436-P488 VanDerWaalsContact OD1-O 3.07Å
437T90.8Very high87.8Confident22 Ų2267 Ų6714%0.13537%0.371CS..EExtended strand (participates in β ladder)trans-131.9134.9-170.9-18.50000111.2L423 W490L423-T437 PolarHBondContact N-O 2.79Å; L423-T437 PolarHBondContact O-N 3.04Å; L423-T437 VanDerWaalsContact O-N 3.13Å; T437-W490 HydrophobicContact CG2-CB 4.44Å; T437-W490 PolarHBondContact OG1-N 3.33Å
438T92.4Very high87.8Confident87 Ų8765.5 Ų65.553%0.53436%0.364SS..EExtended strand (participates in β ladder)trans-119.2122.9173.857.80000109.6K422 L435K422-T438 HydrophobicContact CD-CG2 4.48Å; K422-T438 HydrophobicContact CG-CG2 4.11Å; L435-T438 HydrophobicContact CD1-CG2 3.89Å; L435-T438 HydrophobicContact CD2-CG2 3.58Å; L435-T438 HydrophobicContact CG-CG2 3.98Å
439V92.1Very high88Confident28 Ų2858.4 Ų58.417%0.1733%0.331CS..EExtended strand (participates in β ladder)trans-110.7109.9174.7-176.80000108.2L421 P442 W475L421-V439 HydrophobicContact CB-CB 4.3Å; L421-V439 PolarHBondContact N-O 2.66Å; L421-V439 PolarHBondContact O-N 3.22Å; V439-P442 HydrophobicContact CG1-CB 4.12Å; V439-W475 HydrophobicContact CG1-CH2 3.74Å; V439-W475 HydrophobicContact CG1-CZ3 4Å; V439-W475 HydrophobicContact CG2-CH2 4.45Å; V439-W475 HydrophobicContact CG2-CZ3 3.98Å
440S90.4Very high88.2Confident85 Ų8553.9 Ų53.959%0.59430%0.302SS*.EExtended strand (participates in β ladder)trans-74.9135.7170.454.20000109.7
441T87.4Confident88.7Confident98 Ų9852.5 Ų52.560%0.60129%0.291SS*.  trans49.959.9177.859.10000113.1L419 H443L419-T441 WeakPolarHBondContact O-CA 3.43Å; L419-T441 PolarHBondContact O-N 2.84Å; T441-H443 PolarHBondContact O-N 3.01Å
442P88.2Confident89Confident2 Ų247.1 Ų47.11%0.01327%0.266CS..SBendtrans-61.8-28177.929-38.3000112.3L419 L421 V439 I447 K473 W475L419-P442 WeakPolarHBondContact O-CD 3.38Å; L421-P442 HydrophobicContact CB-CB 4.1Å; L421-P442 HydrophobicContact CB-CG 3.85Å; L421-P442 HydrophobicContact CD2-CB 4.42Å; V439-P442 HydrophobicContact CG1-CB 4.12Å; P442-I447 HydrophobicContact CB-CD1 4.37Å; P442-I447 HydrophobicContact CG-CD1 3.53Å; P442-K473 WeakPolarHBondContact O-CD 3.43Å; P442-K473 WeakPolarHBondContact O-CE 3.33Å; P442-K473 PolarHBondContact O-NZ 2.91Å; P442-W475 HydrophobicContact CB-CH2 4.25Å; P442-W475 HydrophobicContact CB-CZ2 3.92Å
443H88.4Confident89.1Confident5 Ų546.4 Ų46.42%0.02326%0.259CS..SBendtrans-137.4153173.3-71.6-90.5000108.7T441 V445 I447 S465 D469 L471T441-H443 PolarHBondContact O-N 3.01Å; H443-V445 VanDerWaalsContact C-N 3.29Å; H443-V445 VanDerWaalsContact CB-O 3.3Å; H443-V445 WeakPolarHBondContact CB-O 3.25Å; H443-I447 HydrophobicContact CB-CG1 4.32Å; H443-S465 PolarHBondContact NE2-OG 3.02Å; H443-D469 WeakPolarHBondContact CB-OD2 3.3Å; H443-D469 IonicContact CE1-OD1 3.93Å; H443-D469 IonicContact CE1-OD2 3.68Å; H443-D469 IonicContact CG-OD2 3.16Å; H443-D469 IonicContact ND1-OD1 3.98Å; H443-D469 PolarHBondContact ND1-OD1 3.26Å; H443-D469 VanDerWaalsContact ND1-OD1 3.16Å; H443-D469 IonicContact ND1-OD2 3.48Å; H443-D469 PolarHBondContact ND1-OD2 3.32Å; H443-L471 PolarHBondContact CE1-O 3.33Å
444E83.6Confident88.5Confident178 Ų17847.3 Ų47.383%0.83227%0.265SS*.SBendtrans-72.6-26.9177.1-66.5-178176.600112
445V84.9Confident87.3Confident68 Ų6845.5 Ų45.541%0.41226%0.259SS..SBendtrans-123.4161.3179.9-165.40000109L419 H443 I447 R468 D469L419-V445 WeakPolarHBondContact CD1-O 3.31Å; H443-V445 VanDerWaalsContact C-N 3.29Å; H443-V445 VanDerWaalsContact CB-O 3.3Å; H443-V445 WeakPolarHBondContact CB-O 3.25Å; V445-I447 PolarHBondContact O-N 2.8Å; V445-R468 HydrophobicContact CB-CB 4.06Å; V445-R468 HydrophobicContact CG1-CB 3.67Å; V445-D469 HydrophobicContact CB-CB 4.42Å; V445-D469 HydrophobicContact CG2-CB 4.21Å
446R86.8Confident85.4Confident80 Ų8046.8 Ų46.830%0.30228%0.277SS..  trans-41.4132.5179.3-167.5179-165.2-152.9-0.2113.6V393 E409 R468V393-R446 VanDerWaalsContact CG1-NH2 3.29Å; E409-R446 IonicContact OE1-NE 3.63Å; E409-R446 IonicContact OE2-CZ 3.72Å; E409-R446 IonicContact OE2-NE 3.73Å; E409-R446 PolarHBondContact OE2-NE 2.88Å; E409-R446 IonicContact OE2-NH2 3.34Å; R446-R468 PolarHBondContact O-N 2.93Å
447I89.9Confident83.4Confident6 Ų655.8 Ų55.83%0.03131%0.306CS..EExtended strand (participates in β ladder)trans-75.8133.3175.1-44.6-178.3000109.2M394 V407 L419 P442 H443 V445 V450 C466M394-I447 HydrophobicContact CE-CB 3.43Å; M394-I447 VanDerWaalsContact CE-CB 3.43Å; M394-I447 HydrophobicContact CE-CG2 3.45Å; M394-I447 VanDerWaalsContact CE-CG2 3.45Å; V407-I447 HydrophobicContact CB-CD1 4.48Å; V407-I447 HydrophobicContact CG1-CB 4.48Å; V407-I447 HydrophobicContact CG1-CD1 3.66Å; V407-I447 HydrophobicContact CG1-CG1 4.27Å; V407-I447 HydrophobicContact CG2-CD1 3.92Å; L419-I447 HydrophobicContact CD1-CG1 4.42Å; P442-I447 HydrophobicContact CB-CD1 4.37Å; P442-I447 HydrophobicContact CG-CD1 3.53Å; H443-I447 HydrophobicContact CB-CG1 4.32Å; V445-I447 PolarHBondContact O-N 2.8Å; I447-V450 HydrophobicContact CG2-CG2 3.74Å; I447-C466 CarbonylContact C-O 3.53Å; I447-C466 WeakPolarHBondContact CA-O 3.23Å; I447-C466 WeakPolarHBondContact CG2-O 3.43Å
448T87.6Confident81.4Confident30 Ų3057.8 Ų57.818%0.18433%0.331CS..EExtended strand (participates in β ladder)trans-97.2-33.3-175.852.10000113.3C466 R468 P503 Q504 R505T448-C466 PolarHBondContact N-O 3.34Å; T448-C466 WeakPolarHBondContact OG1-CB 3.08Å; T448-C466 PolarHBondContact OG1-O 2.86Å; T448-C466 VanDerWaalsContact OG1-O 3.09Å; T448-R468 HydrophobicContact CG2-CG 3.46Å; T448-R468 VanDerWaalsContact CG2-CG 3.46Å; T448-P503 PolarHBondContact OG1-O 2.84Å; T448-Q504 WeakPolarHBondContact CB-O 3.41Å; T448-Q504 PolarHBondContact OG1-O 2.84Å; T448-R505 PolarHBondContact O-NH1 2.84Å
449A87.3Confident79.7Confident3 Ų361.5 Ų61.53%0.02534%0.343CS..EExtended strand (participates in β ladder)trans-152.9146179.200000111.1S465 C466 C506A449-S465 WeakPolarHBondContact O-CA 3.49Å; A449-C466 HydrophobicContact CB-CB 4.37Å; A449-C466 PolarHBondContact O-N 2.98Å; A449-C506 VanDerWaalsContact CB-SG 3.52Å
450V91.6Very high78.2Confident20 Ų2060.2 Ų60.212%0.12134%0.335CS..EExtended strand (participates in β ladder)trans-137.6128.3171.9-1780000107.7M394 T396 A405 V407 I447 L463 V464M394-V450 HydrophobicContact CE-CG2 3.65Å; T396-V450 HydrophobicContact CG2-CB 4.2Å; T396-V450 HydrophobicContact CG2-CG1 3.66Å; A405-V450 HydrophobicContact CB-CG1 4.33Å; V407-V450 HydrophobicContact CG2-CG2 3.82Å; I447-V450 HydrophobicContact CG2-CG2 3.74Å; V450-L463 HydrophobicContact CG1-CD1 3.4Å; V450-L463 HydrophobicContact CG1-CD2 4.26Å; V450-L463 HydrophobicContact CG1-CG 4.08Å; V450-V464 VanDerWaalsContact CA-O 3.31Å; V450-V464 WeakPolarHBondContact CA-O 3.35Å
451T89.9Confident77.3Confident29 Ų2958.8 Ų58.818%0.17833%0.325CS..EExtended strand (participates in β ladder)trans-145.6136.9-176.5-164.50000111.8L463 V464 C506 F508T451-L463 WeakPolarHBondContact O-CD1 3.21Å; T451-V464 HydrophobicContact CG2-CB 4.48Å; T451-V464 PolarHBondContact N-O 3.11Å; T451-V464 PolarHBondContact O-N 3.19Å; T451-C506 HydrophobicContact CG2-CB 4.24Å; T451-C506 WeakPolarHBondContact CG2-SG 3.47Å; T451-F508 HydrophobicContact CG2-CD2 3.68Å; T451-F508 HydrophobicContact CG2-CE2 3.65Å
452F90.9Very high77.3Confident10 Ų1054.4 Ų54.44%0.04430%0.298CS..EExtended strand (participates in β ladder)trans-84.6151.3173.5-80.1-74.1000110.9T396 L397 D398 W403 A405 L423 P454 L463 W490 F508T396-F452 HydrophobicContact CG2-CD2 3.61Å; T396-F452 HydrophobicContact CG2-CE2 3.74Å; T396-F452 WeakPolarHBondContact O-CE2 3.32Å; L397-F452 VanDerWaalsContact C-CD2 3.48Å; D398-F452 HydrophobicContact CB-CG 4.42Å; W403-F452 HydrophobicContact CB-CE1 4.21Å; W403-F452 HydrophobicContact CB-CZ 3.99Å; A405-F452 HydrophobicContact CB-CE2 3.59Å; A405-F452 HydrophobicContact CB-CZ 3.63Å; L423-F452 HydrophobicContact CD2-CZ 4.24Å; F452-P454 WeakPolarHBondContact O-CD 3.23Å; F452-L463 HydrophobicContact CD1-CB 3.97Å; F452-L463 HydrophobicContact CD1-CD1 3.82Å; F452-L463 HydrophobicContact CD1-CG 4.47Å; F452-L463 HydrophobicContact CD2-CD1 4.05Å; F452-L463 HydrophobicContact CE1-CB 3.87Å; F452-L463 HydrophobicContact CE1-CD1 3.83Å; F452-L463 HydrophobicContact CE1-CD2 4.39Å; F452-L463 HydrophobicContact CE1-CG 4.25Å; F452-L463 HydrophobicContact CE2-CD1 4.07Å; F452-L463 HydrophobicContact CG-CD1 3.93Å; F452-L463 HydrophobicContact CZ-CD1 3.97Å; F452-L463 HydrophobicContact CZ-CD2 4.44Å; F452-W490 HydrophobicContact CD1-CH2 4.49Å; F452-W490 AromaticContact CE1-CH2 3.92Å; F452-W490 HydrophobicContact CE1-CH2 3.92Å; F452-W490 HydrophobicContact CE1-CZ2 4.16Å; F452-F508 WeakPolarHBondContact O-CD2 3.23Å
453D87.4Confident77.4Confident25 Ų2554.3 Ų54.313%0.13430%0.297CS..  trans-66.5124.4166.7179.720.1000110.1A455 T460 L462 F508 G512D453-A455 VanDerWaalsContact C-N 3.29Å; D453-A455 PolarHBondContact O-N 3.22Å; D453-T460 WeakPolarHBondContact O-CG2 3.42Å; D453-L462 HydrophobicContact CB-CB 4.02Å; D453-L462 PolarHBondContact N-O 3.14Å; D453-L462 VanDerWaalsContact N-O 3.1Å; D453-F508 HydrophobicContact CB-CE1 4.32Å; D453-F508 HydrophobicContact CB-CE2 4.32Å; D453-F508 HydrophobicContact CB-CZ 4.14Å; D453-G512 WeakPolarHBondContact OD1-CA 3.35Å
454P76.9Confident77.6Confident26 Ų2654.1 Ų54.117%0.16930%0.296CS..  trans-72.184.1174.629.1-33.1000109.8F452 A456 F508 S509F452-P454 WeakPolarHBondContact O-CD 3.23Å; P454-A456 PolarHBondContact O-N 3.32Å; P454-F508 HydrophobicContact CG-CB 3.89Å; P454-S509 WeakPolarHBondContact CG-O 3.34Å
455A64.4Low78.1Confident38 Ų3845.6 Ų45.631%0.31426%0.257SS..  trans-66.4105.8-177.500000111.7D453 R457 T460D453-A455 VanDerWaalsContact C-N 3.29Å; D453-A455 PolarHBondContact O-N 3.22Å; A455-R457 PolarHBondContact O-N 3.06Å; A455-T460 HydrophobicContact CB-CG2 3.74Å
456A51.9Low78.4Confident82 Ų8242.4 Ų42.468%0.67824%0.237SC*.SBendtrans-73.3-8.2175.100000114.1P454P454-A456 PolarHBondContact O-N 3.32Å
457R48.7Very low78.6Confident250 Ų25038.6 Ų38.694%0.94322%0.223SC*.SBendtrans-142.722-167.5-71.4-170173170.6-1117.2A455A455-R457 PolarHBondContact O-N 3.06Å
458G48.2Very low78.5Confident64 Ų6445.8 Ų45.866%0.6625%0.249SC*.SBendtrans104.1135.1169.300000114.6
459Q57.7Low78.5Confident164 Ų16446.3 Ų46.377%0.76625%0.251SS*.  trans45.7106.6-173.3-68.5-173-7.100115.1S461Q459-S461 PolarHBondContact O-N 2.8Å
460T60.2Low78.5Confident1 Ų146.5 Ų46.51%0.00625%0.253CS..  trans-59116.5166.346.10000110.5D398 D453 A455D398-T460 HydrophobicContact CB-CG2 4.03Å; D398-T460 VanDerWaalsContact CG-OG1 3.27Å; D398-T460 WeakPolarHBondContact OD1-CG2 3.48Å; D398-T460 WeakPolarHBondContact OD2-CG2 3.26Å; D398-T460 PolarHBondContact OD2-OG1 2.81Å; D453-T460 WeakPolarHBondContact O-CG2 3.42Å; A455-T460 HydrophobicContact CB-CG2 3.74Å
461S70.6Confident78.5Confident56 Ų5648 Ų4839%0.39226%0.26SS..  trans-99.5-5.4175.459.90000112.4Q459 R476 L477Q459-S461 PolarHBondContact O-N 2.8Å; S461-R476 WeakPolarHBondContact O-CA 3.45Å; S461-R476 VanDerWaalsContact O-CG 3.3Å; S461-R476 WeakPolarHBondContact O-CG 3.2Å; S461-L477 PolarHBondContact O-N 2.79Å
462L87.8Confident78.6Confident6 Ų646.6 Ų46.63%0.03125%0.252CS..EExtended strand (participates in β ladder)trans-138.9134.3-166.3-168.672.7000114.1D453 A474 W475 F508 P528 W531D453-L462 HydrophobicContact CB-CB 4.02Å; D453-L462 PolarHBondContact N-O 3.14Å; D453-L462 VanDerWaalsContact N-O 3.1Å; L462-A474 HydrophobicContact CD1-CB 4.11Å; L462-W475 WeakPolarHBondContact CA-O 3.43Å; L462-W475 WeakPolarHBondContact CD1-O 3.27Å; L462-F508 HydrophobicContact CD2-CE1 4.29Å; L462-F508 HydrophobicContact CD2-CZ 4.04Å; L462-P528 HydrophobicContact CD2-CB 3.86Å; L462-W531 HydrophobicContact CD1-CH2 4.36Å; L462-W531 HydrophobicContact CD1-CZ2 3.76Å; L462-W531 HydrophobicContact CD2-CH2 3.86Å; L462-W531 HydrophobicContact CD2-CZ2 3.82Å; L462-W531 HydrophobicContact CG-CZ2 4.37Å
463L91.6Very high78.7Confident0 Ų048.1 Ų48.10%026%0.258CS..EExtended strand (participates in β ladder)trans-130.5137.4173.117370.6000108.9T396 A405 L421 L423 V450 T451 F452 A474 W475 W490T396-L463 HydrophobicContact CG2-CD1 4.16Å; A405-L463 HydrophobicContact CB-CD1 4.19Å; A405-L463 HydrophobicContact CB-CD2 3.93Å; L421-L463 HydrophobicContact CD2-CD2 4.47Å; L423-L463 HydrophobicContact CD1-CD2 4.41Å; L423-L463 HydrophobicContact CD2-CD2 3.52Å; V450-L463 HydrophobicContact CG1-CD1 3.4Å; V450-L463 HydrophobicContact CG1-CD2 4.26Å; V450-L463 HydrophobicContact CG1-CG 4.08Å; T451-L463 WeakPolarHBondContact O-CD1 3.21Å; F452-L463 HydrophobicContact CD1-CB 3.97Å; F452-L463 HydrophobicContact CD1-CD1 3.82Å; F452-L463 HydrophobicContact CD1-CG 4.47Å; F452-L463 HydrophobicContact CD2-CD1 4.05Å; F452-L463 HydrophobicContact CE1-CB 3.87Å; F452-L463 HydrophobicContact CE1-CD1 3.83Å; F452-L463 HydrophobicContact CE1-CD2 4.39Å; F452-L463 HydrophobicContact CE1-CG 4.25Å; F452-L463 HydrophobicContact CE2-CD1 4.07Å; F452-L463 HydrophobicContact CG-CD1 3.93Å; F452-L463 HydrophobicContact CZ-CD1 3.97Å; F452-L463 HydrophobicContact CZ-CD2 4.44Å; L463-A474 CarbonylContact O-C 3.57Å; L463-A474 WeakPolarHBondContact O-CA 3.47Å; L463-W475 HydrophobicContact CB-CB 4.2Å; L463-W475 PolarHBondContact N-O 2.82Å; L463-W475 PolarHBondContact O-N 2.99Å; L463-W490 HydrophobicContact CB-CH2 4.46Å; L463-W490 HydrophobicContact CB-CZ3 3.94Å
464V92.4Very high79Confident0 Ų046.9 Ų46.90%025%0.252CS..EExtended strand (participates in β ladder)trans-116.1132.7175.2175.70000109.8V450 T451 F472 K473 A474 F508 L515 W531V450-V464 VanDerWaalsContact CA-O 3.31Å; V450-V464 WeakPolarHBondContact CA-O 3.35Å; T451-V464 HydrophobicContact CG2-CB 4.48Å; T451-V464 PolarHBondContact N-O 3.11Å; T451-V464 PolarHBondContact O-N 3.19Å; V464-F472 HydrophobicContact CG1-CD2 4.19Å; V464-K473 CarbonylContact C-O 3.56Å; V464-K473 WeakPolarHBondContact CA-O 3.33Å; V464-A474 HydrophobicContact CG2-CB 4.26Å; V464-F508 HydrophobicContact CB-CE2 4.47Å; V464-F508 HydrophobicContact CB-CZ 4.49Å; V464-F508 HydrophobicContact CG2-CE2 4.17Å; V464-F508 HydrophobicContact CG2-CZ 3.72Å; V464-L515 HydrophobicContact CG1-CD2 4.25Å; V464-L515 HydrophobicContact CG2-CD2 4.06Å; V464-W531 HydrophobicContact CG2-CH2 3.91Å
465S93.4Very high79.7Confident0 Ų046.3 Ų46.30%025%0.246CC..EExtended strand (participates in β ladder)trans-116.7139.8171.165.90000110.8H443 A449 F472 K473 W475H443-S465 PolarHBondContact NE2-OG 3.02Å; A449-S465 WeakPolarHBondContact O-CA 3.49Å; S465-F472 CarbonylContact O-C 3.58Å; S465-F472 WeakPolarHBondContact O-CA 3.32Å; S465-F472 WeakPolarHBondContact O-CB 3.36Å; S465-K473 PolarHBondContact N-O 3.17Å; S465-K473 PolarHBondContact O-N 2.84Å; S465-W475 PolarHBondContact OG-NE1 3.5Å
466C92Very high80.9Confident0 Ų048.6 Ų48.60%025%0.247CC..EExtended strand (participates in β ladder)trans-116.7131.8175.9-63.50000110I447 T448 A449 F472 P503 C506I447-C466 CarbonylContact C-O 3.53Å; I447-C466 WeakPolarHBondContact CA-O 3.23Å; I447-C466 WeakPolarHBondContact CG2-O 3.43Å; T448-C466 PolarHBondContact N-O 3.34Å; T448-C466 WeakPolarHBondContact OG1-CB 3.08Å; T448-C466 PolarHBondContact OG1-O 2.86Å; T448-C466 VanDerWaalsContact OG1-O 3.09Å; A449-C466 HydrophobicContact CB-CB 4.37Å; A449-C466 PolarHBondContact O-N 2.98Å; C466-F472 HydrophobicContact CB-CB 4.5Å; C466-P503 HydrophobicContact CB-CB 3.97Å; C466-P503 HydrophobicContact CB-CG 4.02Å; C466-C506 VanDerWaalsContact SG-SG 3.65Å
467G90.9Very high82.6Confident0 Ų046.1 Ų46.10%022%0.222CC..EExtended strand (participates in β ladder)trans-113.8155.3-179.600000113.5D469 G470 L471 P503G467-D469 VanDerWaalsContact C-OD1 3.27Å; G467-D469 VanDerWaalsContact CA-OD1 3.29Å; G467-D469 WeakPolarHBondContact CA-OD1 3.27Å; G467-D469 PolarHBondContact O-N 2.93Å; G467-G470 PolarHBondContact O-N 2.87Å; G467-L471 PolarHBondContact N-O 3.29Å; G467-P503 VanDerWaalsContact O-CD 3.31Å; G467-P503 WeakPolarHBondContact O-CD 3.49Å; G467-P503 WeakPolarHBondContact O-CG 3.07Å
468R87.5Confident84.2Confident157 Ų15735.9 Ų35.959%0.59219%0.19SC*.THydrogen-bonded Turntrans-70.2-7.2168.4-76.4-163.2176.5-163.2-2113.7V445 R446 T448 G470 T502V445-R468 HydrophobicContact CB-CB 4.06Å; V445-R468 HydrophobicContact CG1-CB 3.67Å; R446-R468 PolarHBondContact O-N 2.93Å; T448-R468 HydrophobicContact CG2-CG 3.46Å; T448-R468 VanDerWaalsContact CG2-CG 3.46Å; R468-G470 PolarHBondContact O-N 2.97Å; R468-T502 WeakPolarHBondContact O-CG2 3.42Å
469D87.1Confident85.4Confident42 Ų4238.6 Ų38.623%0.22519%0.194CC..THydrogen-bonded Turntrans-67.5-7.8170.259.5-3.9000112.9H443 V445 G467 L471H443-D469 WeakPolarHBondContact CB-OD2 3.3Å; H443-D469 IonicContact CE1-OD1 3.93Å; H443-D469 IonicContact CE1-OD2 3.68Å; H443-D469 IonicContact CG-OD2 3.16Å; H443-D469 IonicContact ND1-OD1 3.98Å; H443-D469 PolarHBondContact ND1-OD1 3.26Å; H443-D469 VanDerWaalsContact ND1-OD1 3.16Å; H443-D469 IonicContact ND1-OD2 3.48Å; H443-D469 PolarHBondContact ND1-OD2 3.32Å; V445-D469 HydrophobicContact CB-CB 4.42Å; V445-D469 HydrophobicContact CG2-CB 4.21Å; G467-D469 VanDerWaalsContact C-OD1 3.27Å; G467-D469 VanDerWaalsContact CA-OD1 3.29Å; G467-D469 WeakPolarHBondContact CA-OD1 3.27Å; G467-D469 PolarHBondContact O-N 2.93Å; D469-L471 PolarHBondContact OD1-N 2.78Å
470G87.4Confident86Confident6 Ų632.7 Ų32.76%0.06217%0.17CC..SBendtrans91.93.6-178.400000113.4G467 R468G467-G470 PolarHBondContact O-N 2.87Å; R468-G470 PolarHBondContact O-N 2.97Å
471L91.3Very high86.1Confident52 Ų5237.2 Ų37.227%0.27221%0.207SC..EExtended strand (participates in β ladder)trans-107.9144.2-177.8-56.1178000110.7H443 G467 D469 V495 S496 A497H443-L471 PolarHBondContact CE1-O 3.33Å; G467-L471 PolarHBondContact N-O 3.29Å; D469-L471 PolarHBondContact OD1-N 2.78Å; L471-V495 HydrophobicContact CD1-CG1 4.27Å; L471-V495 HydrophobicContact CD2-CG1 4.4Å; L471-S496 WeakPolarHBondContact CA-O 3.23Å; L471-A497 HydrophobicContact CD2-CB 3.7Å
472F92.6Very high85.9Confident0 Ų040.3 Ų40.30%022%0.216CC..EExtended strand (participates in β ladder)trans-114.1141.1155.375.1-85.3000109.5V464 S465 C466 F494 S496 L515 F519 W526 W531V464-F472 HydrophobicContact CG1-CD2 4.19Å; S465-F472 CarbonylContact O-C 3.58Å; S465-F472 WeakPolarHBondContact O-CA 3.32Å; S465-F472 WeakPolarHBondContact O-CB 3.36Å; C466-F472 HydrophobicContact CB-CB 4.5Å; F472-F494 HydrophobicContact CE2-CD1 4.21Å; F472-F494 HydrophobicContact CE2-CE1 4.04Å; F472-F494 HydrophobicContact CZ-CE1 4.01Å; F472-S496 WeakPolarHBondContact CD1-O 3.11Å; F472-S496 VanDerWaalsContact CE1-OG 3.31Å; F472-S496 WeakPolarHBondContact CE1-OG 3.48Å; F472-S496 VanDerWaalsContact CZ-CB 3.47Å; F472-S496 PolarHBondContact N-O 2.85Å; F472-S496 PolarHBondContact O-N 3.26Å; F472-L515 HydrophobicContact CE2-CD2 4.46Å; F472-F519 AromaticContact CD1-CZ 3.74Å; F472-F519 HydrophobicContact CD1-CZ 3.74Å; F472-F519 HydrophobicContact CE1-CE2 4.46Å; F472-F519 AromaticContact CE1-CZ 3.92Å; F472-F519 HydrophobicContact CE1-CZ 3.92Å; F472-W526 HydrophobicContact CE1-CZ2 4.09Å; F472-W526 HydrophobicContact CZ-CD2 4.12Å; F472-W526 AromaticContact CZ-CE2 3.91Å; F472-W526 HydrophobicContact CZ-CE3 4.48Å; F472-W526 HydrophobicContact CZ-CH2 4.49Å; F472-W526 HydrophobicContact CZ-CZ2 4.12Å; F472-W531 HydrophobicContact CE2-CE3 4.43Å; F472-W531 HydrophobicContact CE2-CZ3 4.22Å
473K93.1Very high84.6Confident41 Ų4146.1 Ų46.118%0.17825%0.253CS..EExtended strand (participates in β ladder)trans-121.4140.5-177.7-60.9-173.4178179.20109.3P442 V464 S465 W475 F494 V495P442-K473 WeakPolarHBondContact O-CD 3.43Å; P442-K473 WeakPolarHBondContact O-CE 3.33Å; P442-K473 PolarHBondContact O-NZ 2.91Å; V464-K473 CarbonylContact C-O 3.56Å; V464-K473 WeakPolarHBondContact CA-O 3.33Å; S465-K473 PolarHBondContact N-O 3.17Å; S465-K473 PolarHBondContact O-N 2.84Å; K473-W475 HydrophobicContact CB-CZ2 4.21Å; K473-W475 HydrophobicContact CD-CZ2 4.06Å; K473-F494 CarbonylContact C-O 3.58Å; K473-F494 WeakPolarHBondContact CA-O 3.36Å; K473-V495 HydrophobicContact CD-CG2 4.32Å; K473-V495 HydrophobicContact CG-CG1 4.16Å; K473-V495 HydrophobicContact CG-CG2 4.03Å
474A92.4Very high83.2Confident0 Ų053.5 Ų53.50%029%0.293CS..EExtended strand (participates in β ladder)trans-110.6131.1173.900000109.5L462 L463 V464 D493 F494 W531L462-A474 HydrophobicContact CD1-CB 4.11Å; L463-A474 CarbonylContact O-C 3.57Å; L463-A474 WeakPolarHBondContact O-CA 3.47Å; V464-A474 HydrophobicContact CG2-CB 4.26Å; A474-D493 PolarHBondContact O-N 2.8Å; A474-F494 HydrophobicContact CB-CB 3.95Å; A474-F494 PolarHBondContact N-O 3.11Å; A474-F494 PolarHBondContact O-N 3.48Å; A474-W531 HydrophobicContact CB-CH2 3.35Å; A474-W531 HydrophobicContact CB-CZ2 3.13Å; A474-W531 HydrophobicContact CB-CZ3 4.25Å
475W92.6Very high81.4Confident14 Ų1458.7 Ų58.75%0.05332%0.321CS..EExtended strand (participates in β ladder)trans-112.5132.1-177.3-49.986.3000108.2L421 V439 P442 L462 L463 S465 K473 W490 T491 C492L421-W475 HydrophobicContact CD2-CD2 4.28Å; L421-W475 HydrophobicContact CD2-CZ2 4.17Å; V439-W475 HydrophobicContact CG1-CH2 3.74Å; V439-W475 HydrophobicContact CG1-CZ3 4Å; V439-W475 HydrophobicContact CG2-CH2 4.45Å; V439-W475 HydrophobicContact CG2-CZ3 3.98Å; P442-W475 HydrophobicContact CB-CH2 4.25Å; P442-W475 HydrophobicContact CB-CZ2 3.92Å; L462-W475 WeakPolarHBondContact CA-O 3.43Å; L462-W475 WeakPolarHBondContact CD1-O 3.27Å; L463-W475 HydrophobicContact CB-CB 4.2Å; L463-W475 PolarHBondContact N-O 2.82Å; L463-W475 PolarHBondContact O-N 2.99Å; S465-W475 PolarHBondContact OG-NE1 3.5Å; K473-W475 HydrophobicContact CB-CZ2 4.21Å; K473-W475 HydrophobicContact CD-CZ2 4.06Å; W475-W490 HydrophobicContact CB-CE3 4.09Å; W475-W490 WeakPolarHBondContact O-CZ3 3.43Å; W475-T491 CarbonylContact C-O 3.48Å; W475-T491 VanDerWaalsContact CA-O 3.26Å; W475-T491 WeakPolarHBondContact CA-O 3.39Å; W475-C492 HydrophobicContact CD2-CB 4.47Å; W475-C492 HydrophobicContact CE3-CB 3.81Å; W475-C492 HydrophobicContact CH2-CB 4.21Å; W475-C492 HydrophobicContact CZ3-CB 3.67Å
476R89.9Confident79.9Confident86 Ų8661.6 Ų61.633%0.32535%0.351SS..EExtended strand (participates in β ladder)trans-121143.5179.3-176.2175.2-72.1158.1-0.8111S461 A478 W490 T491 D493S461-R476 WeakPolarHBondContact O-CA 3.45Å; S461-R476 VanDerWaalsContact O-CG 3.3Å; S461-R476 WeakPolarHBondContact O-CG 3.2Å; R476-A478 PolarHBondContact O-N 2.78Å; R476-W490 WeakPolarHBondContact O-CA 3.45Å; R476-T491 PolarHBondContact N-O 2.55Å; R476-T491 PolarHBondContact O-N 2.78Å; R476-D493 HydrophobicContact CB-CB 4Å; R476-D493 IonicContact CZ-OD1 3.55Å; R476-D493 IonicContact CZ-OD2 2.66Å; R476-D493 IonicContact NE-OD2 2.86Å; R476-D493 IonicContact NH1-OD1 3.84Å; R476-D493 PolarHBondContact NH1-OD1 3.2Å; R476-D493 IonicContact NH1-OD2 3.68Å; R476-D493 PolarHBondContact NH1-OD2 2.88Å; R476-D493 IonicContact NH2-OD2 3.3Å; R476-D493 PolarHBondContact NH2-OD2 3.06Å
477L87.4Confident79.1Confident30 Ų3064 Ų6416%0.15738%0.376CS..EExtended strand (participates in β ladder)trans-71.9110.2171.5-172.469.2000109.1W403 S461 P488 W490W403-L477 HydrophobicContact CH2-CD1 3.79Å; W403-L477 HydrophobicContact CZ2-CD1 3.81Å; W403-L477 HydrophobicContact CZ2-CD2 3.74Å; W403-L477 HydrophobicContact CZ2-CG 4.45Å; S461-L477 PolarHBondContact O-N 2.79Å; L477-P488 HydrophobicContact CD1-CB 3.93Å; L477-P488 HydrophobicContact CD2-CB 4.33Å; L477-P488 HydrophobicContact CG-CB 4.13Å; L477-W490 HydrophobicContact CB-CD2 4.28Å; L477-W490 HydrophobicContact CB-CE3 4.44Å; L477-W490 HydrophobicContact CB-CH2 4.39Å; L477-W490 HydrophobicContact CB-CZ2 4.23Å; L477-W490 HydrophobicContact CB-CZ3 4.49Å; L477-W490 HydrophobicContact CD1-CD2 4.2Å; L477-W490 HydrophobicContact CD1-CG 4.12Å; L477-W490 HydrophobicContact CD1-CZ2 4.48Å
478A81.9Confident78.6Confident34 Ų3466.6 Ų66.628%0.28139%0.392SS..EExtended strand (participates in β ladder)trans-92.4127.8175.600000109.9R476 P488 S489 T491R476-A478 PolarHBondContact O-N 2.78Å; A478-P488 WeakPolarHBondContact O-CA 3.42Å; A478-S489 PolarHBondContact N-O 2.92Å; A478-S489 PolarHBondContact O-N 3.37Å; A478-T491 HydrophobicContact CB-CG2 4.15Å
479V73.9Confident78.6Confident121 Ų12161.4 Ų61.473%0.73338%0.38SS*.PPolyproline II helixtrans-82.8127167.4-177.70000107.4A481V479-A481 PolarHBondContact O-N 3.31Å
480P70.1Confident78.8Confident41 Ų4159.8 Ų59.827%0.26637%0.371SS..PPolyproline II helixtrans-60.1138.6-178.121.3-30.5000111H482 D485 G486P480-H482 PolarHBondContact O-N 2.67Å; P480-D485 HydrophobicContact CB-CB 3.96Å; P480-D485 VanDerWaalsContact CB-O 3.29Å; P480-D485 WeakPolarHBondContact CB-O 3.47Å; P480-D485 WeakPolarHBondContact CG-O 3.45Å; P480-G486 WeakPolarHBondContact CG-O 3.41Å
481A61.9Low78.9Confident95 Ų9562.6 Ų62.679%0.78539%0.387SS*.SBendtrans-72.1-20.8-179.600000112.6V479V479-A481 PolarHBondContact O-N 3.31Å
482H65.9Low78.9Confident122 Ų12262.8 Ų62.857%0.56539%0.392SS*.SBendtrans-120.4137.6179-66.3-55.1000110.7P480 D484 D485P480-H482 PolarHBondContact O-N 2.67Å; H482-D484 PolarHBondContact O-N 2.86Å; H482-D484 VanDerWaalsContact O-N 3.16Å; H482-D485 PolarHBondContact O-N 3.24Å
483P61.8Low78.7Confident127 Ų12766.3 Ų66.383%0.82541%0.411SS*.THydrogen-bonded Turntrans-67.1-12179.926.5-33.4000114.1
484D60.7Low78.5Confident155 Ų15566.8 Ų66.883%0.82941%0.413SS*.THydrogen-bonded Turntrans-85.7-16.3176.4-67.9-24.9000113H482 G486H482-D484 PolarHBondContact O-N 2.86Å; H482-D484 VanDerWaalsContact O-N 3.16Å; D484-G486 VanDerWaalsContact C-N 3.34Å; D484-G486 PolarHBondContact O-N 3.29Å
485D56.4Low78.5Confident110 Ų11070.3 Ų70.359%0.58843%0.434SS*.SBendtrans-91.156.5-177.9-79.4-28.6000112P480 H482P480-D485 HydrophobicContact CB-CB 3.96Å; P480-D485 VanDerWaalsContact CB-O 3.29Å; P480-D485 WeakPolarHBondContact CB-O 3.47Å; P480-D485 WeakPolarHBondContact CG-O 3.45Å; H482-D485 PolarHBondContact O-N 3.24Å
486G61.3Low78.4Confident61 Ų6170.4 Ų70.463%0.62944%0.437SS*.  trans57.6-165.2167.200000116.5P480 D484P480-G486 WeakPolarHBondContact CG-O 3.41Å; D484-G486 VanDerWaalsContact C-N 3.34Å; D484-G486 PolarHBondContact O-N 3.29Å
487G74.2Confident78.3Confident51 Ų5169 Ų6953%0.52644%0.444SS..SBendtrans-78.7179.1176.900000113.3S489G487-S489 PolarHBondContact O-N 2.55Å
488P82.3Confident78.2Confident54 Ų5469.2 Ų69.235%0.35144%0.443SS..  trans-61.9134176.730.1-36.1000110.3N436 L477 A478N436-P488 PolarHBondContact ND2-O 3.4Å; N436-P488 PolarHBondContact OD1-O 2.92Å; N436-P488 VanDerWaalsContact OD1-O 3.07Å; L477-P488 HydrophobicContact CD1-CB 3.93Å; L477-P488 HydrophobicContact CD2-CB 4.33Å; L477-P488 HydrophobicContact CG-CB 4.13Å; A478-P488 WeakPolarHBondContact O-CA 3.42Å
489S87.1Confident78.4Confident47 Ų4775 Ų7533%0.32946%0.464SS..EExtended strand (participates in β ladder)trans-127.4150.8-176.661.90000111.3A478 G487A478-S489 PolarHBondContact N-O 2.92Å; A478-S489 PolarHBondContact O-N 3.37Å; G487-S489 PolarHBondContact O-N 2.55Å
490W90.8Very high78.8Confident8 Ų872.6 Ų72.63%0.0346%0.463CS..EExtended strand (participates in β ladder)trans-86.8130.4179.6-7286.5000111.7W403 L423 T437 F452 L463 W475 R476 L477W403-W490 AromaticContact CD2-CZ2 3.96Å; W403-W490 HydrophobicContact CD2-CZ2 3.96Å; W403-W490 AromaticContact CD2-NE1 3.82Å; W403-W490 HydrophobicContact CE3-CZ2 4.29Å; W403-W490 AromaticContact CE3-NE1 3.32Å; W403-W490 VanDerWaalsContact CE3-NE1 3.32Å; W403-W490 HydrophobicContact CG-CZ2 4.11Å; W403-W490 AromaticContact CH2-NE1 3.54Å; W403-W490 AromaticContact CZ3-CD1 3.89Å; W403-W490 AromaticContact CZ3-NE1 3.17Å; L423-W490 HydrophobicContact CB-CG 4.42Å; L423-W490 HydrophobicContact CD1-CB 3.36Å; L423-W490 HydrophobicContact CD1-CD2 3.87Å; L423-W490 HydrophobicContact CD1-CE3 4.47Å; L423-W490 HydrophobicContact CD1-CG 3.37Å; L423-W490 HydrophobicContact CG-CG 4.37Å; T437-W490 HydrophobicContact CG2-CB 4.44Å; T437-W490 PolarHBondContact OG1-N 3.33Å; F452-W490 HydrophobicContact CD1-CH2 4.49Å; F452-W490 AromaticContact CE1-CH2 3.92Å; F452-W490 HydrophobicContact CE1-CH2 3.92Å; F452-W490 HydrophobicContact CE1-CZ2 4.16Å; L463-W490 HydrophobicContact CB-CH2 4.46Å; L463-W490 HydrophobicContact CB-CZ3 3.94Å; W475-W490 HydrophobicContact CB-CE3 4.09Å; W475-W490 WeakPolarHBondContact O-CZ3 3.43Å; R476-W490 WeakPolarHBondContact O-CA 3.45Å; L477-W490 HydrophobicContact CB-CD2 4.28Å; L477-W490 HydrophobicContact CB-CE3 4.44Å; L477-W490 HydrophobicContact CB-CH2 4.39Å; L477-W490 HydrophobicContact CB-CZ2 4.23Å; L477-W490 HydrophobicContact CB-CZ3 4.49Å; L477-W490 HydrophobicContact CD1-CD2 4.2Å; L477-W490 HydrophobicContact CD1-CG 4.12Å; L477-W490 HydrophobicContact CD1-CZ2 4.48Å
491T90.5Very high79.6Confident66 Ų6672.7 Ų72.741%0.40546%0.461SS..EExtended strand (participates in β ladder)trans-128154.8178.9610000111.1W475 R476 A478 D493W475-T491 CarbonylContact C-O 3.48Å; W475-T491 VanDerWaalsContact CA-O 3.26Å; W475-T491 WeakPolarHBondContact CA-O 3.39Å; R476-T491 PolarHBondContact N-O 2.55Å; R476-T491 PolarHBondContact O-N 2.78Å; A478-T491 HydrophobicContact CB-CG2 4.15Å; T491-D493 PolarHBondContact O-N 3.46Å
492C90.6Very high80.8Confident56 Ų5670 Ų7038%0.37844%0.435SS..EExtended strand (participates in β ladder)trans-77.6116176.6-172.20000109.6W475W475-C492 HydrophobicContact CD2-CB 4.47Å; W475-C492 HydrophobicContact CE3-CB 3.81Å; W475-C492 HydrophobicContact CH2-CB 4.21Å; W475-C492 HydrophobicContact CZ3-CB 3.67Å
493D88.8Confident81.9Confident73 Ų7364.3 Ų64.339%0.3941%0.409SS..EExtended strand (participates in β ladder)trans-89.3-39.8179.6-175.463.7000111.1A474 R476 T491 W531A474-D493 PolarHBondContact O-N 2.8Å; R476-D493 HydrophobicContact CB-CB 4Å; R476-D493 IonicContact CZ-OD1 3.55Å; R476-D493 IonicContact CZ-OD2 2.66Å; R476-D493 IonicContact NE-OD2 2.86Å; R476-D493 IonicContact NH1-OD1 3.84Å; R476-D493 PolarHBondContact NH1-OD1 3.2Å; R476-D493 IonicContact NH1-OD2 3.68Å; R476-D493 PolarHBondContact NH1-OD2 2.88Å; R476-D493 IonicContact NH2-OD2 3.3Å; R476-D493 PolarHBondContact NH2-OD2 3.06Å; T491-D493 PolarHBondContact O-N 3.46Å; D493-W531 PolarHBondContact OD2-NE1 3Å
494F89Confident83.1Confident52 Ų5261.2 Ų61.223%0.22838%0.384CS..EExtended strand (participates in β ladder)trans-142.6145.3-172.1-174-109000112.6F472 K473 A474 W531F472-F494 HydrophobicContact CE2-CD1 4.21Å; F472-F494 HydrophobicContact CE2-CE1 4.04Å; F472-F494 HydrophobicContact CZ-CE1 4.01Å; K473-F494 CarbonylContact C-O 3.58Å; K473-F494 WeakPolarHBondContact CA-O 3.36Å; A474-F494 HydrophobicContact CB-CB 3.95Å; A474-F494 PolarHBondContact N-O 3.11Å; A474-F494 PolarHBondContact O-N 3.48Å; F494-W531 HydrophobicContact CB-CD2 4.12Å; F494-W531 HydrophobicContact CB-CG 4.08Å; F494-W531 HydrophobicContact CD1-CB 4.05Å; F494-W531 AromaticContact CD1-CD2 3.57Å; F494-W531 HydrophobicContact CD1-CD2 3.57Å; F494-W531 AromaticContact CD1-CE3 3.75Å; F494-W531 HydrophobicContact CD1-CE3 3.75Å; F494-W531 AromaticContact CD1-CG 3.7Å; F494-W531 HydrophobicContact CD1-CG 3.7Å; F494-W531 HydrophobicContact CD1-CZ3 4.46Å; F494-W531 HydrophobicContact CD2-CB 3.9Å; F494-W531 AromaticContact CD2-CD1 3.88Å; F494-W531 AromaticContact CD2-CG 3.84Å; F494-W531 HydrophobicContact CD2-CG 3.84Å; F494-W531 HydrophobicContact CE1-CB 3.83Å; F494-W531 HydrophobicContact CE1-CD2 4.04Å; F494-W531 AromaticContact CE1-CE3 3.99Å; F494-W531 HydrophobicContact CE1-CE3 3.99Å; F494-W531 AromaticContact CE1-CG 3.99Å; F494-W531 HydrophobicContact CE1-CG 3.99Å; F494-W531 HydrophobicContact CE2-CB 3.7Å; F494-W531 HydrophobicContact CE2-CG 4.14Å; F494-W531 HydrophobicContact CG-CB 4.08Å; F494-W531 AromaticContact CG-CD1 3.71Å; F494-W531 AromaticContact CG-CD2 3.84Å; F494-W531 HydrophobicContact CG-CD2 3.84Å; F494-W531 HydrophobicContact CG-CE3 4.47Å; F494-W531 AromaticContact CG-CG 3.6Å; F494-W531 HydrophobicContact CG-CG 3.6Å; F494-W531 AromaticContact CG-NE1 3.98Å; F494-W531 HydrophobicContact CZ-CB 3.66Å; F494-W531 HydrophobicContact CZ-CG 4.21Å
495V92.3Very high84.3Confident74 Ų7457.1 Ų57.145%0.44836%0.356SS..EExtended strand (participates in β ladder)trans-136.3130174.7-177.10000108L471 K473L471-V495 HydrophobicContact CD1-CG1 4.27Å; L471-V495 HydrophobicContact CD2-CG1 4.4Å; K473-V495 HydrophobicContact CD-CG2 4.32Å; K473-V495 HydrophobicContact CG-CG1 4.16Å; K473-V495 HydrophobicContact CG-CG2 4.03Å
496S88.6Confident85.9Confident16 Ų1652.3 Ų52.311%0.11233%0.331CS..EExtended strand (participates in β ladder)trans-143.6154.4179.5173.90000112.7L471 F472L471-S496 WeakPolarHBondContact CA-O 3.23Å; F472-S496 WeakPolarHBondContact CD1-O 3.11Å; F472-S496 VanDerWaalsContact CE1-OG 3.31Å; F472-S496 WeakPolarHBondContact CE1-OG 3.48Å; F472-S496 VanDerWaalsContact CZ-CB 3.47Å; F472-S496 PolarHBondContact N-O 2.85Å; F472-S496 PolarHBondContact O-N 3.26Å
497A88.2Confident87.2Confident56 Ų5650.1 Ų50.146%0.46331%0.306SS..EExtended strand (participates in β ladder)trans-134.2146.6177.300000108.4L471L471-A497 HydrophobicContact CD2-CB 3.7Å
498Y86.6Confident88Confident35 Ų3548.1 Ų48.114%0.13728%0.283CS..BIsolated β-bridgetrans-123.6109.9177.5-174.4-104.6000110.6G500 L501 F519 V522 T524 L533 T536Y498-G500 PolarHBondContact O-N 3.41Å; Y498-L501 HydrophobicContact CD1-CD1 4.2Å; Y498-L501 HydrophobicContact CE1-CD1 4.4Å; Y498-L501 WeakPolarHBondContact O-CB 3.43Å; Y498-L501 PolarHBondContact O-N 3.24Å; Y498-F519 VanDerWaalsContact CB-CZ 3.46Å; Y498-F519 HydrophobicContact CD1-CB 4.14Å; Y498-F519 AromaticContact CD1-CD2 3.96Å; Y498-F519 HydrophobicContact CD1-CD2 3.96Å; Y498-F519 AromaticContact CD1-CG 3.99Å; Y498-F519 HydrophobicContact CD1-CG 3.99Å; Y498-F519 HydrophobicContact CG-CD2 4.11Å; Y498-F519 HydrophobicContact CG-CE2 4.19Å; Y498-F519 HydrophobicContact CG-CG 4.37Å; Y498-V522 HydrophobicContact CE1-CG1 4.04Å; Y498-T524 HydrophobicContact CD1-CG2 3.98Å; Y498-T524 HydrophobicContact CD2-CG2 4.14Å; Y498-T524 HydrophobicContact CE1-CG2 3.87Å; Y498-T524 HydrophobicContact CE2-CG2 4.05Å; Y498-T524 HydrophobicContact CG-CG2 4.11Å; Y498-L533 HydrophobicContact CE2-CD2 4.12Å; Y498-T536 WeakPolarHBondContact OH-CG2 3.28Å
499H85.2Confident88.4Confident156 Ų15645.8 Ų45.872%0.72227%0.268SS*.THydrogen-bonded Turntrans47.626.4178-66.9-61000116.2L501H499-L501 HydrophobicContact CB-CG 4.38Å; H499-L501 PolarHBondContact O-N 3.05Å
500G82.4Confident88.2Confident70 Ų7045.2 Ų45.272%0.72227%0.266SS*.THydrogen-bonded Turntrans65.913.1-175.100000114.1Y498Y498-G500 PolarHBondContact O-N 3.41Å
501L87.6Confident87.8Confident42 Ų4249.5 Ų49.522%0.2229%0.29CS..BIsolated β-bridgetrans-79.5148.8173.6-61.3176.7000109.9Y498 H499 F519Y498-L501 HydrophobicContact CD1-CD1 4.2Å; Y498-L501 HydrophobicContact CE1-CD1 4.4Å; Y498-L501 WeakPolarHBondContact O-CB 3.43Å; Y498-L501 PolarHBondContact O-N 3.24Å; H499-L501 HydrophobicContact CB-CG 4.38Å; H499-L501 PolarHBondContact O-N 3.05Å; L501-F519 HydrophobicContact CB-CB 3.91Å; L501-F519 HydrophobicContact CB-CD1 4.13Å; L501-F519 HydrophobicContact CB-CG 4.45Å; L501-F519 HydrophobicContact CD1-CB 4.16Å; L501-F519 WeakPolarHBondContact O-CD1 3.42Å
502T87.1Confident87.5Confident40 Ų4046.8 Ų46.825%0.24528%0.275CS..PPolyproline II helixtrans-87.5124.7-179.449.30000111.4R468 Q520R468-T502 WeakPolarHBondContact O-CG2 3.42Å; T502-Q520 PolarHBondContact O-N 2.84Å; T502-Q520 PolarHBondContact OG1-NE2 3.12Å
503P89.3Confident87.4Confident1 Ų146.8 Ų46.81%0.00628%0.276CS..EExtended strand (participates in β ladder)trans-73.2130.9175.129.3-33.1000110.8T448 C466 G467 V517 G518 F519T448-P503 PolarHBondContact OG1-O 2.84Å; C466-P503 HydrophobicContact CB-CB 3.97Å; C466-P503 HydrophobicContact CB-CG 4.02Å; G467-P503 VanDerWaalsContact O-CD 3.31Å; G467-P503 WeakPolarHBondContact O-CD 3.49Å; G467-P503 WeakPolarHBondContact O-CG 3.07Å; P503-V517 HydrophobicContact CB-CG1 3.87Å; P503-G518 WeakPolarHBondContact CA-O 3.38Å; P503-F519 HydrophobicContact CB-CD1 4Å; P503-F519 HydrophobicContact CB-CE1 3.75Å; P503-F519 HydrophobicContact CB-CZ 4.32Å; P503-F519 HydrophobicContact CG-CE1 4.09Å
504Q85.4Confident87.4Confident63 Ų6345.4 Ų45.429%0.29427%0.268SS..EExtended strand (participates in β ladder)trans-104.3-45.1-178.6-63.4-154.3-5.200113.6T448 G518 I543 I544T448-Q504 WeakPolarHBondContact CB-O 3.41Å; T448-Q504 PolarHBondContact OG1-O 2.84Å; Q504-G518 PolarHBondContact N-O 2.83Å; Q504-I543 VanDerWaalsContact CD-CG2 3.46Å; Q504-I543 VanDerWaalsContact OE1-CG2 3.29Å; Q504-I544 PolarHBondContact OE1-O 3.2Å
505R85.9Confident87.6Confident68 Ų6842.9 Ų42.926%0.25726%0.257SS..EExtended strand (participates in β ladder)trans-142.4148.9-177-14770.9177.8161.8-0.9110.4D341 T448 G518 D546D341-R505 IonicContact OD2-CZ 3.97Å; D341-R505 IonicContact OD2-NH1 2.88Å; D341-R505 IonicContact OD2-NH2 2.7Å; D341-R505 PolarHBondContact OD2-NH2 3.14Å; T448-R505 PolarHBondContact O-NH1 2.84Å; R505-G518 PolarHBondContact O-N 3.08Å; R505-D546 IonicContact NE-OD1 3.97Å
506C90.2Very high87.6Confident9 Ų939.4 Ų39.46%0.06124%0.235CC..EExtended strand (participates in β ladder)trans-134.4143.3175.9560000110A449 T451 C466 L515 A516 V517A449-C506 VanDerWaalsContact CB-SG 3.52Å; T451-C506 HydrophobicContact CG2-CB 4.24Å; T451-C506 WeakPolarHBondContact CG2-SG 3.47Å; C466-C506 VanDerWaalsContact SG-SG 3.65Å; C506-L515 HydrophobicContact CB-CD1 4.33Å; C506-A516 VanDerWaalsContact CA-O 3.28Å; C506-A516 WeakPolarHBondContact CA-O 3Å; C506-V517 HydrophobicContact CB-CG2 4.28Å
507C89.8Confident87.7Confident16 Ų1638.6 Ų38.611%0.10823%0.23CC..EExtended strand (participates in β ladder)trans-147.4146.5174.861.40000110.6A516 L547 F549C507-A516 PolarHBondContact N-O 2.83Å; C507-A516 PolarHBondContact O-N 3.41Å; C507-L547 WeakPolarHBondContact CB-O 3.38Å; C507-L547 PolarHBondContact SG-O 3.12Å; C507-L547 VanDerWaalsContact SG-O 3.4Å; C507-F549 HydrophobicContact CB-CD2 4.3Å; C507-F549 WeakPolarHBondContact O-CE2 3.15Å; C507-F549 WeakPolarHBondContact SG-CD2 3.36Å; C507-F549 VanDerWaalsContact SG-CE2 3.6Å
508F90.9Very high87.8Confident9 Ų936 Ų364%0.03921%0.208CC..EExtended strand (participates in β ladder)trans-95150.7174.8-78-81.8000110.9T451 F452 D453 P454 L462 V464 L514 L515 P528 F549T451-F508 HydrophobicContact CG2-CD2 3.68Å; T451-F508 HydrophobicContact CG2-CE2 3.65Å; F452-F508 WeakPolarHBondContact O-CD2 3.23Å; D453-F508 HydrophobicContact CB-CE1 4.32Å; D453-F508 HydrophobicContact CB-CE2 4.32Å; D453-F508 HydrophobicContact CB-CZ 4.14Å; P454-F508 HydrophobicContact CG-CB 3.89Å; L462-F508 HydrophobicContact CD2-CE1 4.29Å; L462-F508 HydrophobicContact CD2-CZ 4.04Å; V464-F508 HydrophobicContact CB-CE2 4.47Å; V464-F508 HydrophobicContact CB-CZ 4.49Å; V464-F508 HydrophobicContact CG2-CE2 4.17Å; V464-F508 HydrophobicContact CG2-CZ 3.72Å; F508-L514 WeakPolarHBondContact CA-O 3.37Å; F508-L515 HydrophobicContact CD1-CB 4.14Å; F508-L515 HydrophobicContact CD1-CD1 4.03Å; F508-L515 HydrophobicContact CD2-CD1 4.12Å; F508-L515 HydrophobicContact CE1-CB 3.99Å; F508-L515 HydrophobicContact CE1-CD1 3.88Å; F508-L515 HydrophobicContact CE1-CG 4.41Å; F508-L515 HydrophobicContact CE2-CD1 3.97Å; F508-L515 HydrophobicContact CG-CD1 4.15Å; F508-L515 HydrophobicContact CZ-CD1 3.85Å; F508-P528 HydrophobicContact CD1-CG 4.16Å; F508-P528 HydrophobicContact CE1-CB 4.15Å; F508-P528 HydrophobicContact CE1-CG 3.69Å; F508-F549 VanDerWaalsContact O-CD2 3.29Å; F508-F549 WeakPolarHBondContact O-CD2 3.22Å
509S89.6Confident87.9Confident5 Ų534.3 Ų34.34%0.03520%0.202CC..  trans-64161.9164.861.50000111P454 D511 G512 S513 L514P454-S509 WeakPolarHBondContact CG-O 3.34Å; S509-D511 VanDerWaalsContact CB-OD1 3.29Å; S509-D511 WeakPolarHBondContact CB-OD1 2.83Å; S509-D511 PolarHBondContact O-N 2.75Å; S509-D511 VanDerWaalsContact O-N 3.15Å; S509-D511 PolarHBondContact OG-OD1 2.98Å; S509-G512 PolarHBondContact O-N 2.91Å; S509-G512 VanDerWaalsContact O-N 3.1Å; S509-S513 PolarHBondContact OG-N 3.11Å; S509-S513 VanDerWaalsContact OG-N 3.17Å; S509-L514 PolarHBondContact N-O 3.38Å; S509-L514 PolarHBondContact OG-N 3.44Å; S509-L514 PolarHBondContact OG-O 3.02Å
510A83.4Confident88Confident35 Ų3530 Ų3029%0.28918%0.182SC..THydrogen-bonded Turntrans-62.6-25.5-173.900000114.9R551A510-R551 VanDerWaalsContact CA-NH1 3.29Å
511D82.3Confident88.3Confident98 Ų9831.6 Ų31.652%0.52417%0.171SC..THydrogen-bonded Turntrans-99.6-1.2-179.464.1-18000113.5S509 S513S509-D511 VanDerWaalsContact CB-OD1 3.29Å; S509-D511 WeakPolarHBondContact CB-OD1 2.83Å; S509-D511 PolarHBondContact O-N 2.75Å; S509-D511 VanDerWaalsContact O-N 3.15Å; S509-D511 PolarHBondContact OG-OD1 2.98Å; D511-S513 PolarHBondContact O-N 3.13Å; D511-S513 PolarHBondContact OD1-N 3.06Å; D511-S513 PolarHBondContact OD1-OG 3.1Å; D511-S513 WeakPolarHBondContact OD2-CB 3.4Å; D511-S513 PolarHBondContact OD2-OG 3.09Å
512G84.3Confident88.4Confident9 Ų930.9 Ų30.99%0.09317%0.168CC..SBendtrans75.13.6-177.800000115.1D453 S509 P528D453-G512 WeakPolarHBondContact OD1-CA 3.35Å; S509-G512 PolarHBondContact O-N 2.91Å; S509-G512 VanDerWaalsContact O-N 3.1Å; G512-P528 WeakPolarHBondContact O-CG 3.26Å
513S87.6Confident88.5Confident56 Ų5629 Ų2939%0.39216%0.156SC..SBendtrans-78.6-21.5-174.867.90000114.2S509 D511 P528S509-S513 PolarHBondContact OG-N 3.11Å; S509-S513 VanDerWaalsContact OG-N 3.17Å; D511-S513 PolarHBondContact O-N 3.13Å; D511-S513 PolarHBondContact OD1-N 3.06Å; D511-S513 PolarHBondContact OD1-OG 3.1Å; D511-S513 WeakPolarHBondContact OD2-CB 3.4Å; D511-S513 PolarHBondContact OD2-OG 3.09Å; S513-P528 WeakPolarHBondContact O-CD 2.99Å
514L90.7Very high88.7Confident43 Ų4328.9 Ų28.923%0.22516%0.156CC..  trans-130.3139.9-178.1-57.6173.7000110.6F508 S509 V525 L534 F549 L572F508-L514 WeakPolarHBondContact CA-O 3.37Å; S509-L514 PolarHBondContact N-O 3.38Å; S509-L514 PolarHBondContact OG-N 3.44Å; S509-L514 PolarHBondContact OG-O 3.02Å; L514-V525 HydrophobicContact CB-CG1 4.08Å; L514-V525 HydrophobicContact CD1-CG1 4.45Å; L514-V525 HydrophobicContact CD2-CG1 4.05Å; L514-V525 HydrophobicContact CG-CG1 4.44Å; L514-L534 HydrophobicContact CD2-CD1 3.48Å; L514-L534 VanDerWaalsContact CD2-CD1 3.48Å; L514-F549 HydrophobicContact CB-CZ 4.35Å; L514-L572 HydrophobicContact CD1-CD1 4.36Å
515L91.9Very high89Confident0 Ų026.1 Ų26.10%014%0.143CC..EExtended strand (participates in β ladder)trans-115120.4169.2174.271.9000109V464 F472 C506 F508 V517 V525 W526 P528 W531V464-L515 HydrophobicContact CG1-CD2 4.25Å; V464-L515 HydrophobicContact CG2-CD2 4.06Å; F472-L515 HydrophobicContact CE2-CD2 4.46Å; C506-L515 HydrophobicContact CB-CD1 4.33Å; F508-L515 HydrophobicContact CD1-CB 4.14Å; F508-L515 HydrophobicContact CD1-CD1 4.03Å; F508-L515 HydrophobicContact CD2-CD1 4.12Å; F508-L515 HydrophobicContact CE1-CB 3.99Å; F508-L515 HydrophobicContact CE1-CD1 3.88Å; F508-L515 HydrophobicContact CE1-CG 4.41Å; F508-L515 HydrophobicContact CE2-CD1 3.97Å; F508-L515 HydrophobicContact CG-CD1 4.15Å; F508-L515 HydrophobicContact CZ-CD1 3.85Å; L515-V517 HydrophobicContact CD1-CG2 4.48Å; L515-V517 HydrophobicContact CD2-CG2 3.93Å; L515-V517 HydrophobicContact CG-CG2 3.9Å; L515-V525 CarbonylContact O-C 3.59Å; L515-V525 WeakPolarHBondContact O-CA 3.42Å; L515-W526 HydrophobicContact CB-CB 4.42Å; L515-W526 PolarHBondContact N-O 3.2Å; L515-W526 PolarHBondContact O-N 3.07Å; L515-P528 HydrophobicContact CB-CG 4.05Å; L515-W531 HydrophobicContact CD2-CH2 4.43Å; L515-W531 HydrophobicContact CD2-CZ3 3.82Å
516A92Very high89.3Confident0 Ų023.8 Ų23.80%013%0.134CC..EExtended strand (participates in β ladder)trans-95.7131.216900000110.2C506 C507 V523 T524 F549 L558C506-A516 VanDerWaalsContact CA-O 3.28Å; C506-A516 WeakPolarHBondContact CA-O 3Å; C507-A516 PolarHBondContact N-O 2.83Å; C507-A516 PolarHBondContact O-N 3.41Å; A516-V523 HydrophobicContact CB-CG1 4.27Å; A516-T524 CarbonylContact C-O 3.5Å; A516-T524 WeakPolarHBondContact CA-O 3.45Å; A516-F549 HydrophobicContact CB-CE2 3.56Å; A516-F549 HydrophobicContact CB-CZ 3.76Å; A516-L558 HydrophobicContact CB-CD1 4.18Å; A516-L558 HydrophobicContact CB-CD2 4.06Å
517V91.4Very high89.3Confident0 Ų024.4 Ų24.40%014%0.139CC..EExtended strand (participates in β ladder)trans-126.1124.1175.2-174.50000109.2P503 C506 L515 F519 T524P503-V517 HydrophobicContact CB-CG1 3.87Å; C506-V517 HydrophobicContact CB-CG2 4.28Å; L515-V517 HydrophobicContact CD1-CG2 4.48Å; L515-V517 HydrophobicContact CD2-CG2 3.93Å; L515-V517 HydrophobicContact CG-CG2 3.9Å; V517-F519 HydrophobicContact CB-CD2 4.4Å; V517-F519 HydrophobicContact CB-CE2 3.95Å; V517-F519 HydrophobicContact CG1-CD2 4.06Å; V517-F519 HydrophobicContact CG1-CE2 3.62Å; V517-F519 HydrophobicContact CG1-CZ 3.92Å; V517-T524 PolarHBondContact N-O 2.99Å; V517-T524 PolarHBondContact O-N 2.95Å; V517-T524 PolarHBondContact O-OG1 3.4Å; V517-T524 VanDerWaalsContact O-OG1 3.07Å
518G90.4Very high89.2Confident0 Ų024.1 Ų24.10%014%0.137CC..EExtended strand (participates in β ladder)trans-87.5110.7175.700000111.3P503 Q504 R505P503-G518 WeakPolarHBondContact CA-O 3.38Å; Q504-G518 PolarHBondContact N-O 2.83Å; R505-G518 PolarHBondContact O-N 3.08Å
519F88.8Confident89Confident0 Ų028.1 Ų28.10%017%0.171CC..EExtended strand (participates in β ladder)trans-10193.1173.1-73.1-81000109.8F472 Y498 L501 P503 V517 E521 V522 T524F472-F519 AromaticContact CD1-CZ 3.74Å; F472-F519 HydrophobicContact CD1-CZ 3.74Å; F472-F519 HydrophobicContact CE1-CE2 4.46Å; F472-F519 AromaticContact CE1-CZ 3.92Å; F472-F519 HydrophobicContact CE1-CZ 3.92Å; Y498-F519 VanDerWaalsContact CB-CZ 3.46Å; Y498-F519 HydrophobicContact CD1-CB 4.14Å; Y498-F519 AromaticContact CD1-CD2 3.96Å; Y498-F519 HydrophobicContact CD1-CD2 3.96Å; Y498-F519 AromaticContact CD1-CG 3.99Å; Y498-F519 HydrophobicContact CD1-CG 3.99Å; Y498-F519 HydrophobicContact CG-CD2 4.11Å; Y498-F519 HydrophobicContact CG-CE2 4.19Å; Y498-F519 HydrophobicContact CG-CG 4.37Å; L501-F519 HydrophobicContact CB-CB 3.91Å; L501-F519 HydrophobicContact CB-CD1 4.13Å; L501-F519 HydrophobicContact CB-CG 4.45Å; L501-F519 HydrophobicContact CD1-CB 4.16Å; L501-F519 WeakPolarHBondContact O-CD1 3.42Å; P503-F519 HydrophobicContact CB-CD1 4Å; P503-F519 HydrophobicContact CB-CE1 3.75Å; P503-F519 HydrophobicContact CB-CZ 4.32Å; P503-F519 HydrophobicContact CG-CE1 4.09Å; V517-F519 HydrophobicContact CB-CD2 4.4Å; V517-F519 HydrophobicContact CB-CE2 3.95Å; V517-F519 HydrophobicContact CG1-CD2 4.06Å; V517-F519 HydrophobicContact CG1-CE2 3.62Å; V517-F519 HydrophobicContact CG1-CZ 3.92Å; F519-E521 PolarHBondContact O-N 2.93Å; F519-V522 CarbonylContact C-O 3.51Å; F519-V522 WeakPolarHBondContact CA-O 3.47Å; F519-V522 PolarHBondContact N-O 2.94Å; F519-V522 PolarHBondContact O-N 2.87Å; F519-T524 HydrophobicContact CD2-CG2 3.83Å; F519-T524 WeakPolarHBondContact CD2-OG1 2.96Å; F519-T524 HydrophobicContact CE2-CG2 4.19Å; F519-T524 WeakPolarHBondContact CE2-OG1 3.43Å
520Q87.1Confident88.8Confident65 Ų6530.6 Ų30.630%0.30419%0.188SC..THydrogen-bonded Turntrans50.7-102.8-175.7-60.2-1793.500112.5T502 I543 I544T502-Q520 PolarHBondContact O-N 2.84Å; T502-Q520 PolarHBondContact OG1-NE2 3.12Å; Q520-I543 CarbonylContact O-C 3.51Å; Q520-I543 WeakPolarHBondContact O-CA 3.34Å; Q520-I544 WeakPolarHBondContact O-CD1 3.21Å; Q520-I544 WeakPolarHBondContact O-CG1 3.22Å; Q520-I544 PolarHBondContact O-N 2.92Å
521E87.7Confident89Confident105 Ų10530 Ų3049%0.49118%0.179SC..THydrogen-bonded Turntrans-91.5-8.9-179.2-52.3-171.4151.700113.5F519 P540 I543F519-E521 PolarHBondContact O-N 2.93Å; E521-P540 WeakPolarHBondContact O-CG 3.44Å; E521-I543 HydrophobicContact CG-CG1 4.42Å
522V90.1Very high89.4Confident26 Ų2631.2 Ų31.216%0.15818%0.181CC..EExtended strand (participates in β ladder)trans-111.4131.9-172.5-178.20000110.4Y498 F519 T524 T536Y498-V522 HydrophobicContact CE1-CG1 4.04Å; F519-V522 CarbonylContact C-O 3.51Å; F519-V522 WeakPolarHBondContact CA-O 3.47Å; F519-V522 PolarHBondContact N-O 2.94Å; F519-V522 PolarHBondContact O-N 2.87Å; V522-T524 HydrophobicContact CG1-CG2 4.37Å; V522-T536 HydrophobicContact CG1-CG2 3.29Å
523V90.5Very high89.8Confident0 Ų034.2 Ų34.20%020%0.195CC..EExtended strand (participates in β ladder)trans-96.1132.1168-170.90000109.1A516 T536 L537 I544 L547 L558 W570A516-V523 HydrophobicContact CB-CG1 4.27Å; V523-T536 CarbonylContact O-C 3.57Å; V523-T536 WeakPolarHBondContact O-CA 3.38Å; V523-L537 HydrophobicContact CB-CB 4.16Å; V523-L537 HydrophobicContact CB-CD1 4.42Å; V523-L537 PolarHBondContact N-O 3.42Å; V523-L537 PolarHBondContact O-N 3.23Å; V523-I544 HydrophobicContact CB-CD1 4.41Å; V523-I544 HydrophobicContact CG2-CD1 3.37Å; V523-I544 HydrophobicContact CG2-CG1 4.31Å; V523-L547 HydrophobicContact CG1-CD1 4.21Å; V523-L547 HydrophobicContact CG1-CD2 4.43Å; V523-L547 HydrophobicContact CG2-CD2 4Å; V523-L558 HydrophobicContact CG1-CD2 3.91Å; V523-W570 HydrophobicContact CG2-CH2 4.18Å; V523-W570 HydrophobicContact CG2-CZ3 4.31Å
524T91.9Very high89.9Confident0 Ų036.2 Ų36.20%020%0.2CC..EExtended strand (participates in β ladder)trans-114.6140.417358.40000109.9Y498 A516 V517 F519 V522 W526 L533 L535Y498-T524 HydrophobicContact CD1-CG2 3.98Å; Y498-T524 HydrophobicContact CD2-CG2 4.14Å; Y498-T524 HydrophobicContact CE1-CG2 3.87Å; Y498-T524 HydrophobicContact CE2-CG2 4.05Å; Y498-T524 HydrophobicContact CG-CG2 4.11Å; A516-T524 CarbonylContact C-O 3.5Å; A516-T524 WeakPolarHBondContact CA-O 3.45Å; V517-T524 PolarHBondContact N-O 2.99Å; V517-T524 PolarHBondContact O-N 2.95Å; V517-T524 PolarHBondContact O-OG1 3.4Å; V517-T524 VanDerWaalsContact O-OG1 3.07Å; F519-T524 HydrophobicContact CD2-CG2 3.83Å; F519-T524 WeakPolarHBondContact CD2-OG1 2.96Å; F519-T524 HydrophobicContact CE2-CG2 4.19Å; F519-T524 WeakPolarHBondContact CE2-OG1 3.43Å; V522-T524 HydrophobicContact CG1-CG2 4.37Å; T524-W526 PolarHBondContact OG1-NE1 3.29Å; T524-L533 HydrophobicContact CG2-CD1 4.16Å; T524-L535 CarbonylContact C-O 3.53Å; T524-L535 WeakPolarHBondContact CA-O 3.37Å
525V92.6Very high89.8Confident5 Ų536.1 Ų36.13%0.0320%0.2CC..EExtended strand (participates in β ladder)trans-117127.5178-174.30000109.1L514 L515 L534 L535L514-V525 HydrophobicContact CB-CG1 4.08Å; L514-V525 HydrophobicContact CD1-CG1 4.45Å; L514-V525 HydrophobicContact CD2-CG1 4.05Å; L514-V525 HydrophobicContact CG-CG1 4.44Å; L515-V525 CarbonylContact O-C 3.59Å; L515-V525 WeakPolarHBondContact O-CA 3.42Å; V525-L534 PolarHBondContact O-N 2.95Å; V525-L535 HydrophobicContact CB-CB 4.08Å; V525-L535 HydrophobicContact CG2-CB 4.28Å; V525-L535 PolarHBondContact N-O 3.1Å; V525-L535 PolarHBondContact O-N 3.37Å
526W92.6Very high89.7Confident19 Ų1938.7 Ų38.77%0.07222%0.216CC..EExtended strand (participates in β ladder)trans-122.1151.4-173.7-59.479.6000111F472 L515 T524 P528 W531 E532 L533F472-W526 HydrophobicContact CE1-CZ2 4.09Å; F472-W526 HydrophobicContact CZ-CD2 4.12Å; F472-W526 AromaticContact CZ-CE2 3.91Å; F472-W526 HydrophobicContact CZ-CE3 4.48Å; F472-W526 HydrophobicContact CZ-CH2 4.49Å; F472-W526 HydrophobicContact CZ-CZ2 4.12Å; L515-W526 HydrophobicContact CB-CB 4.42Å; L515-W526 PolarHBondContact N-O 3.2Å; L515-W526 PolarHBondContact O-N 3.07Å; T524-W526 PolarHBondContact OG1-NE1 3.29Å; W526-P528 WeakPolarHBondContact O-CD 3.43Å; W526-W531 WeakPolarHBondContact CZ3-O 3.45Å; W526-E532 WeakPolarHBondContact CA-O 3.44Å; W526-L533 HydrophobicContact CD2-CB 4.3Å; W526-L533 HydrophobicContact CD2-CD1 4.06Å; W526-L533 HydrophobicContact CE3-CB 3.96Å; W526-L533 HydrophobicContact CH2-CB 3.97Å; W526-L533 HydrophobicContact CH2-CD1 4.38Å; W526-L533 HydrophobicContact CZ2-CB 4.31Å; W526-L533 HydrophobicContact CZ2-CD1 3.85Å; W526-L533 HydrophobicContact CZ3-CB 3.79Å
527S90.9Very high89.5Confident22 Ų2239.1 Ų39.115%0.15422%0.218CC..  trans-87115.9167.9170.70000109.8A529 S530 W531 E532S527-A529 PolarHBondContact O-N 2.8Å; S527-S530 WeakPolarHBondContact CB-OG 3.4Å; S527-S530 PolarHBondContact O-N 3.33Å; S527-S530 PolarHBondContact OG-OG 2.65Å; S527-W531 WeakPolarHBondContact O-CA 3.42Å; S527-W531 PolarHBondContact O-N 2.75Å; S527-E532 PolarHBondContact N-O 2.84Å
528P87.2Confident88.7Confident10 Ų1043.4 Ų43.47%0.06525%0.248CC..THydrogen-bonded Turntrans-66.6-19.8179.4-23.837.3000114.2L462 F508 G512 S513 L515 W526L462-P528 HydrophobicContact CD2-CB 3.86Å; F508-P528 HydrophobicContact CD1-CG 4.16Å; F508-P528 HydrophobicContact CE1-CB 4.15Å; F508-P528 HydrophobicContact CE1-CG 3.69Å; G512-P528 WeakPolarHBondContact O-CG 3.26Å; S513-P528 WeakPolarHBondContact O-CD 2.99Å; L515-P528 HydrophobicContact CB-CG 4.05Å; W526-P528 WeakPolarHBondContact O-CD 3.43Å
529A85.4Confident87.7Confident93 Ų9349 Ų4977%0.76927%0.274SS*.THydrogen-bonded Turntrans-78-37179.300000112.9S527S527-A529 PolarHBondContact O-N 2.8Å
530S85.4Confident86.5Confident56 Ų5649.4 Ų49.439%0.39228%0.277SS..THydrogen-bonded Turntrans-114.4-10.7-176.358.10000114.3S527 E532S527-S530 WeakPolarHBondContact CB-OG 3.4Å; S527-S530 PolarHBondContact O-N 3.33Å; S527-S530 PolarHBondContact OG-OG 2.65Å; S530-E532 PolarHBondContact O-N 3.11Å; S530-E532 PolarHBondContact OG-OE2 3.04Å; S530-E532 VanDerWaalsContact OG-OE2 3.1Å
531W89.3Confident85.5Confident23 Ų2349.6 Ų49.69%0.08728%0.284CS..  trans55.126.1-170.3-62.8116.3000114.6L462 V464 F472 A474 D493 F494 L515 W526 S527L462-W531 HydrophobicContact CD1-CH2 4.36Å; L462-W531 HydrophobicContact CD1-CZ2 3.76Å; L462-W531 HydrophobicContact CD2-CH2 3.86Å; L462-W531 HydrophobicContact CD2-CZ2 3.82Å; L462-W531 HydrophobicContact CG-CZ2 4.37Å; V464-W531 HydrophobicContact CG2-CH2 3.91Å; F472-W531 HydrophobicContact CE2-CE3 4.43Å; F472-W531 HydrophobicContact CE2-CZ3 4.22Å; A474-W531 HydrophobicContact CB-CH2 3.35Å; A474-W531 HydrophobicContact CB-CZ2 3.13Å; A474-W531 HydrophobicContact CB-CZ3 4.25Å; D493-W531 PolarHBondContact OD2-NE1 3Å; F494-W531 HydrophobicContact CB-CD2 4.12Å; F494-W531 HydrophobicContact CB-CG 4.08Å; F494-W531 HydrophobicContact CD1-CB 4.05Å; F494-W531 AromaticContact CD1-CD2 3.57Å; F494-W531 HydrophobicContact CD1-CD2 3.57Å; F494-W531 AromaticContact CD1-CE3 3.75Å; F494-W531 HydrophobicContact CD1-CE3 3.75Å; F494-W531 AromaticContact CD1-CG 3.7Å; F494-W531 HydrophobicContact CD1-CG 3.7Å; F494-W531 HydrophobicContact CD1-CZ3 4.46Å; F494-W531 HydrophobicContact CD2-CB 3.9Å; F494-W531 AromaticContact CD2-CD1 3.88Å; F494-W531 AromaticContact CD2-CG 3.84Å; F494-W531 HydrophobicContact CD2-CG 3.84Å; F494-W531 HydrophobicContact CE1-CB 3.83Å; F494-W531 HydrophobicContact CE1-CD2 4.04Å; F494-W531 AromaticContact CE1-CE3 3.99Å; F494-W531 HydrophobicContact CE1-CE3 3.99Å; F494-W531 AromaticContact CE1-CG 3.99Å; F494-W531 HydrophobicContact CE1-CG 3.99Å; F494-W531 HydrophobicContact CE2-CB 3.7Å; F494-W531 HydrophobicContact CE2-CG 4.14Å; F494-W531 HydrophobicContact CG-CB 4.08Å; F494-W531 AromaticContact CG-CD1 3.71Å; F494-W531 AromaticContact CG-CD2 3.84Å; F494-W531 HydrophobicContact CG-CD2 3.84Å; F494-W531 HydrophobicContact CG-CE3 4.47Å; F494-W531 AromaticContact CG-CG 3.6Å; F494-W531 HydrophobicContact CG-CG 3.6Å; F494-W531 AromaticContact CG-NE1 3.98Å; F494-W531 HydrophobicContact CZ-CB 3.66Å; F494-W531 HydrophobicContact CZ-CG 4.21Å; L515-W531 HydrophobicContact CD2-CH2 4.43Å; L515-W531 HydrophobicContact CD2-CZ3 3.82Å; W526-W531 WeakPolarHBondContact CZ3-O 3.45Å; S527-W531 WeakPolarHBondContact O-CA 3.42Å; S527-W531 PolarHBondContact O-N 2.75Å
532E90.8Very high85Confident123 Ų12345.2 Ų45.258%0.57527%0.267SS*.  trans-84.7139.3175.5-67.8172.4152.800111.1W526 S527 S530 L534W526-E532 WeakPolarHBondContact CA-O 3.44Å; S527-E532 PolarHBondContact N-O 2.84Å; S530-E532 PolarHBondContact O-N 3.11Å; S530-E532 PolarHBondContact OG-OE2 3.04Å; S530-E532 VanDerWaalsContact OG-OE2 3.1Å; E532-L534 PolarHBondContact O-N 3.34Å
533L91.4Very high84.7Confident73 Ų7347 Ų4738%0.38227%0.274SS..EExtended strand (participates in β ladder)trans-76.2116.1173.3177.966.8000109.3Y498 T524 W526Y498-L533 HydrophobicContact CE2-CD2 4.12Å; T524-L533 HydrophobicContact CG2-CD1 4.16Å; W526-L533 HydrophobicContact CD2-CB 4.3Å; W526-L533 HydrophobicContact CD2-CD1 4.06Å; W526-L533 HydrophobicContact CE3-CB 3.96Å; W526-L533 HydrophobicContact CH2-CB 3.97Å; W526-L533 HydrophobicContact CH2-CD1 4.38Å; W526-L533 HydrophobicContact CZ2-CB 4.31Å; W526-L533 HydrophobicContact CZ2-CD1 3.85Å; W526-L533 HydrophobicContact CZ3-CB 3.79Å
534L90.3Very high84.5Confident97 Ų9747 Ų4751%0.50828%0.275SS..EExtended strand (participates in β ladder)trans-92.7-44.1-177.3-61.6176.1000112.4L514 V525 E532L514-L534 HydrophobicContact CD2-CD1 3.48Å; L514-L534 VanDerWaalsContact CD2-CD1 3.48Å; V525-L534 PolarHBondContact O-N 2.95Å; E532-L534 PolarHBondContact O-N 3.34Å
535L88.9Confident84.1Confident42 Ų4253.5 Ų53.522%0.2230%0.299CS..EExtended strand (participates in β ladder)trans-147.2146.2-172.3-17267.6000111.8T524 V525 L537 L572 C575T524-L535 CarbonylContact C-O 3.53Å; T524-L535 WeakPolarHBondContact CA-O 3.37Å; V525-L535 HydrophobicContact CB-CB 4.08Å; V525-L535 HydrophobicContact CG2-CB 4.28Å; V525-L535 PolarHBondContact N-O 3.1Å; V525-L535 PolarHBondContact O-N 3.37Å; L535-L537 HydrophobicContact CD2-CD1 4.45Å; L535-L537 HydrophobicContact CD2-CD2 3.76Å; L535-L537 HydrophobicContact CD2-CG 4.06Å; L535-L537 HydrophobicContact CG-CD2 4.14Å; L535-L537 HydrophobicContact CG-CG 4.31Å; L535-L572 HydrophobicContact CD2-CD2 4.27Å; L535-C575 HydrophobicContact CD1-CB 4.11Å; L535-C575 HydrophobicContact CD2-CB 4.34Å
536T89.6Confident83.8Confident54 Ų5454.8 Ų54.833%0.33131%0.306SS..EExtended strand (participates in β ladder)trans-124.4125.2169.7-56.70000109.1Y498 V522 V523Y498-T536 WeakPolarHBondContact OH-CG2 3.28Å; V522-T536 HydrophobicContact CG1-CG2 3.29Å; V523-T536 CarbonylContact O-C 3.57Å; V523-T536 WeakPolarHBondContact O-CA 3.38Å
537L86.4Confident83.6Confident8 Ų854.1 Ų54.14%0.04230%0.304CS..EExtended strand (participates in β ladder)trans-110.5117.5176.6-57.3169.3000108.8V523 L535 L558 W570 L572V523-L537 HydrophobicContact CB-CB 4.16Å; V523-L537 HydrophobicContact CB-CD1 4.42Å; V523-L537 PolarHBondContact N-O 3.42Å; V523-L537 PolarHBondContact O-N 3.23Å; L535-L537 HydrophobicContact CD2-CD1 4.45Å; L535-L537 HydrophobicContact CD2-CD2 3.76Å; L535-L537 HydrophobicContact CD2-CG 4.06Å; L535-L537 HydrophobicContact CG-CD2 4.14Å; L535-L537 HydrophobicContact CG-CG 4.31Å; L537-L558 HydrophobicContact CD1-CD2 4.27Å; L537-W570 HydrophobicContact CD1-CB 4.08Å; L537-W570 HydrophobicContact CD1-CD2 4.14Å; L537-W570 HydrophobicContact CD1-CG 3.84Å; L537-L572 HydrophobicContact CD1-CD2 4.37Å
538S75.8Confident83.6Confident90 Ų9054.1 Ų54.163%0.62930%0.304SS*.  trans-11815.1-173.466.20000113.8P540S538-P540 VanDerWaalsContact C-CD 3.42Å
539Q68.4Low83.8Confident118 Ų11853.9 Ų53.955%0.55130%0.301SS*.  trans-87.5-11.7-170.1-67.6-175.6-13.100117.5
540P64.7Low83.8Confident8 Ų849.5 Ų49.55%0.05227%0.265CS..SBendtrans-84.5135.2-179.930.9-29.1000112.2E521 S538 G542 I544 T562 W570E521-P540 WeakPolarHBondContact O-CG 3.44Å; S538-P540 VanDerWaalsContact C-CD 3.42Å; P540-G542 PolarHBondContact O-N 3.36Å; P540-I544 HydrophobicContact CG-CG1 4.38Å; P540-T562 HydrophobicContact CB-CG2 3.66Å; P540-W570 HydrophobicContact CB-CZ2 4.11Å; P540-W570 HydrophobicContact CG-CH2 4.44Å; P540-W570 HydrophobicContact CG-CZ2 3.92Å
541P64.8Low83.8Confident69 Ų6950.1 Ų50.145%0.44826%0.259SS..SBendtrans-73.1115.6168.129.1-31.6000109.9S564 Q566P541-S564 WeakPolarHBondContact O-CB 3.31Å; P541-S564 PolarHBondContact O-OG 3.06Å; P541-Q566 VanDerWaalsContact CD-OE1 3.3Å
542G77.6Confident83.6Confident13 Ų1353.9 Ų53.913%0.13428%0.28CS..SBendtrans97.7176.4173.600000115P540P540-G542 PolarHBondContact O-N 3.36Å
543I84Confident83.3Confident63 Ų6352 Ų5232%0.32328%0.281SS..  trans-77.1131-167.9-63.3167.7000110.3Q504 Q520 E521 R545 T562 S563Q504-I543 VanDerWaalsContact CD-CG2 3.46Å; Q504-I543 VanDerWaalsContact OE1-CG2 3.29Å; Q520-I543 CarbonylContact O-C 3.51Å; Q520-I543 WeakPolarHBondContact O-CA 3.34Å; E521-I543 HydrophobicContact CG-CG1 4.42Å; I543-R545 PolarHBondContact O-N 3.44Å; I543-T562 CarbonylContact O-C 3.5Å; I543-T562 WeakPolarHBondContact O-CA 3.43Å; I543-S563 PolarHBondContact N-OG 2.8Å; I543-S563 PolarHBondContact O-N 2.98Å
544I86.8Confident83Confident1 Ų148.6 Ų48.61%0.00526%0.263CS..EExtended strand (participates in β ladder)trans-71.8121178.2-60.7149.4000109.6Q504 Q520 V523 P540 L547 T561Q504-I544 PolarHBondContact OE1-O 3.2Å; Q520-I544 WeakPolarHBondContact O-CD1 3.21Å; Q520-I544 WeakPolarHBondContact O-CG1 3.22Å; Q520-I544 PolarHBondContact O-N 2.92Å; V523-I544 HydrophobicContact CB-CD1 4.41Å; V523-I544 HydrophobicContact CG2-CD1 3.37Å; V523-I544 HydrophobicContact CG2-CG1 4.31Å; P540-I544 HydrophobicContact CG-CG1 4.38Å; I544-L547 HydrophobicContact CG2-CD1 4.1Å; I544-L547 HydrophobicContact CG2-CD2 3.7Å; I544-L547 HydrophobicContact CG2-CG 3.58Å; I544-T561 CarbonylContact C-O 3.49Å; I544-T561 WeakPolarHBondContact CA-O 3.13Å
545R84.3Confident82.7Confident136 Ų13646.8 Ų46.851%0.51326%0.259SS..EExtended strand (participates in β ladder)trans-91.6-45.7-179.6-60-175.675146.54.1112.2I543 T561I543-R545 PolarHBondContact O-N 3.44Å; R545-T561 PolarHBondContact N-O 3.07Å
546D84.9Confident82.7Confident32 Ų3248.7 Ų48.717%0.17127%0.265CS..EExtended strand (participates in β ladder)trans-136.8150.5-178.3-156.66.8000110.9R505 G560 T561R505-D546 IonicContact NE-OD1 3.97Å; D546-G560 VanDerWaalsContact O-CA 3.29Å; D546-G560 WeakPolarHBondContact O-CA 3.44Å; D546-T561 VanDerWaalsContact CB-OG1 3.31Å; D546-T561 WeakPolarHBondContact CB-OG1 3.36Å; D546-T561 PolarHBondContact N-OG1 2.66Å; D546-T561 VanDerWaalsContact N-OG1 3.11Å; D546-T561 PolarHBondContact O-N 2.88Å; D546-T561 VanDerWaalsContact O-N 3.09Å
547L89.7Confident82.8Confident6 Ų646.2 Ų46.23%0.03125%0.25CC..EExtended strand (participates in β ladder)trans-138.3128.2-179.5-76.4174.7000109.9C507 V523 I544 L559 W570C507-L547 WeakPolarHBondContact CB-O 3.38Å; C507-L547 PolarHBondContact SG-O 3.12Å; C507-L547 VanDerWaalsContact SG-O 3.4Å; V523-L547 HydrophobicContact CG1-CD1 4.21Å; V523-L547 HydrophobicContact CG1-CD2 4.43Å; V523-L547 HydrophobicContact CG2-CD2 4Å; I544-L547 HydrophobicContact CG2-CD1 4.1Å; I544-L547 HydrophobicContact CG2-CD2 3.7Å; I544-L547 HydrophobicContact CG2-CG 3.58Å; L547-L559 WeakPolarHBondContact CA-O 3.2Å; L547-W570 HydrophobicContact CD2-CZ3 4.26Å
548C89.8Confident83.1Confident22 Ų2245.9 Ų45.915%0.14925%0.248CC..EExtended strand (participates in β ladder)trans-144.6131.4-179-163.70000111.3L559 L588 A590 M597C548-L559 PolarHBondContact N-O 3.09Å; C548-L559 PolarHBondContact O-N 3.34Å; C548-L588 HydrophobicContact CB-CD2 4.07Å; C548-L588 HydrophobicContact CB-CG 4.41Å; C548-A590 WeakPolarHBondContact SG-CB 3.42Å; C548-M597 HydrophobicContact CB-CE 3.83Å
549F91.1Very high83.8Confident4 Ų441.6 Ų41.62%0.01822%0.218CC..EExtended strand (participates in β ladder)trans-79.5143.1170.3-78.4-93.3000110.6C507 F508 L514 A516 L558 L572C507-F549 HydrophobicContact CB-CD2 4.3Å; C507-F549 WeakPolarHBondContact O-CE2 3.15Å; C507-F549 WeakPolarHBondContact SG-CD2 3.36Å; C507-F549 VanDerWaalsContact SG-CE2 3.6Å; F508-F549 VanDerWaalsContact O-CD2 3.29Å; F508-F549 WeakPolarHBondContact O-CD2 3.22Å; L514-F549 HydrophobicContact CB-CZ 4.35Å; A516-F549 HydrophobicContact CB-CE2 3.56Å; A516-F549 HydrophobicContact CB-CZ 3.76Å; F549-L558 HydrophobicContact CD1-CD1 4.11Å; F549-L558 HydrophobicContact CD2-CD1 3.86Å; F549-L558 HydrophobicContact CE1-CD1 4.15Å; F549-L558 HydrophobicContact CE2-CD1 3.86Å; F549-L558 HydrophobicContact CG-CD1 3.99Å; F549-L558 HydrophobicContact CZ-CD1 4.01Å; F549-L572 HydrophobicContact CD1-CD1 4.13Å; F549-L572 HydrophobicContact CE1-CD1 3.45Å; F549-L572 VanDerWaalsContact CE1-CD1 3.45Å; F549-L572 HydrophobicContact CZ-CD1 4.39Å
550G86.8Confident84.7Confident1 Ų136 Ų361%0.0119%0.192CC..  trans-62.6159.2162.800000111.3C554 S555 F557G550-C554 WeakPolarHBondContact CA-O 3.49Å; G550-S555 WeakPolarHBondContact O-CA 2.84Å; G550-F557 PolarHBondContact N-O 3.21Å
551R84.9Confident85.9Confident70 Ų7035.9 Ų35.926%0.26419%0.191SC..  trans-112.5162.8179.2-65.3-65.5-179.3155-9.3111A510 S553 C554 A590A510-R551 VanDerWaalsContact CA-NH1 3.29Å; R551-S553 PolarHBondContact O-N 2.66Å; R551-C554 CarbonylContact O-C 3.59Å; R551-C554 WeakPolarHBondContact O-CA 3.26Å; R551-C554 WeakPolarHBondContact O-CB 3.36Å; R551-C554 PolarHBondContact O-N 2.89Å; R551-A590 HydrophobicContact CG-CB 4.3Å
552L85.2Confident86.9Confident101 Ų10132.8 Ų32.853%0.52917%0.171SC..G310 helixtrans51.1-115.1174.9-62.2172.8000112.9C554 S555 D595L552-C554 PolarHBondContact O-N 3.36Å; L552-S555 WeakPolarHBondContact O-CB 3.43Å; L552-S555 PolarHBondContact O-N 3.22Å; L552-S555 PolarHBondContact O-OG 2.98Å; L552-D595 WeakPolarHBondContact CB-OD1 3.36Å
553S84.6Confident87.3Confident83 Ų8335 Ų3558%0.5818%0.184SC*.G310 helixtrans-68.7-21.5-178.468.50000112.9R551 D595R551-S553 PolarHBondContact O-N 2.66Å; S553-D595 WeakPolarHBondContact CB-OD1 3.49Å; S553-D595 PolarHBondContact N-OD1 2.82Å; S553-D595 PolarHBondContact OG-OD1 3.45Å; S553-D595 PolarHBondContact OG-OD2 3.16Å
554C83.7Confident87.2Confident2 Ų234.3 Ų34.31%0.01419%0.185CC..G310 helixtrans-95.211.8178.4-69.70000113.5G550 R551 L552 K556 F557 P614G550-C554 WeakPolarHBondContact CA-O 3.49Å; R551-C554 CarbonylContact O-C 3.59Å; R551-C554 WeakPolarHBondContact O-CA 3.26Å; R551-C554 WeakPolarHBondContact O-CB 3.36Å; R551-C554 PolarHBondContact O-N 2.89Å; L552-C554 PolarHBondContact O-N 3.36Å; C554-K556 PolarHBondContact O-N 3.16Å; C554-K556 VanDerWaalsContact O-N 3.11Å; C554-F557 HydrophobicContact CB-CD2 3.98Å; C554-F557 PolarHBondContact O-N 2.83Å; C554-P614 HydrophobicContact CB-CB 4.23Å; C554-P614 HydrophobicContact CB-CG 4.08Å
555S85.4Confident87.2Confident60 Ų6036.9 Ų36.942%0.4220%0.199SC..THydrogen-bonded Turntrans-58.9-24-178.360.40000115.1G550 L552 F557G550-S555 WeakPolarHBondContact O-CA 2.84Å; L552-S555 WeakPolarHBondContact O-CB 3.43Å; L552-S555 PolarHBondContact O-N 3.22Å; L552-S555 PolarHBondContact O-OG 2.98Å; S555-F557 PolarHBondContact O-N 3Å
556K89.3Confident87.4Confident81 Ų8133.1 Ų33.135%0.35219%0.187SC..THydrogen-bonded Turntrans-71.3-13176.267.3-176.3-177.4-173.10114.2C554 L572 L573C554-K556 PolarHBondContact O-N 3.16Å; C554-K556 VanDerWaalsContact O-N 3.11Å; K556-L572 WeakPolarHBondContact O-CB 3.49Å; K556-L572 WeakPolarHBondContact O-CG 3.27Å; K556-L572 PolarHBondContact O-N 3.32Å; K556-L573 HydrophobicContact CB-CD1 4.09Å; K556-L573 HydrophobicContact CB-CG 4.11Å; K556-L573 HydrophobicContact CD-CD1 3.91Å
557F91.4Very high87.6Confident3 Ų331.8 Ų31.81%0.01318%0.18CC..EExtended strand (participates in β ladder)trans-98.7134.3-175.7-61.8-61000111.3G550 C554 S555 L559 W570 N571 E578 P614G550-F557 PolarHBondContact N-O 3.21Å; C554-F557 HydrophobicContact CB-CD2 3.98Å; C554-F557 PolarHBondContact O-N 2.83Å; S555-F557 PolarHBondContact O-N 3Å; F557-L559 HydrophobicContact CB-CD1 4.42Å; F557-W570 CarbonylContact C-O 3.57Å; F557-W570 WeakPolarHBondContact CA-O 3.41Å; F557-N571 HydrophobicContact CD1-CB 4.04Å; F557-N571 HydrophobicContact CE1-CB 3.9Å; F557-E578 WeakPolarHBondContact CE1-OE2 3.38Å; F557-E578 VanDerWaalsContact CZ-OE2 3.28Å; F557-E578 WeakPolarHBondContact CZ-OE2 2.92Å; F557-P614 HydrophobicContact CB-CB 3.85Å; F557-P614 HydrophobicContact CD2-CB 3.78Å; F557-P614 HydrophobicContact CG-CB 4.02Å
558L91.5Very high87.6Confident0 Ų031.6 Ų31.60%018%0.179CC..EExtended strand (participates in β ladder)trans-113.9128.3170.8179.764.1000108.1A516 V523 L537 F549 W570 L572A516-L558 HydrophobicContact CB-CD1 4.18Å; A516-L558 HydrophobicContact CB-CD2 4.06Å; V523-L558 HydrophobicContact CG1-CD2 3.91Å; L537-L558 HydrophobicContact CD1-CD2 4.27Å; F549-L558 HydrophobicContact CD1-CD1 4.11Å; F549-L558 HydrophobicContact CD2-CD1 3.86Å; F549-L558 HydrophobicContact CE1-CD1 4.15Å; F549-L558 HydrophobicContact CE2-CD1 3.86Å; F549-L558 HydrophobicContact CG-CD1 3.99Å; F549-L558 HydrophobicContact CZ-CD1 4.01Å; L558-W570 HydrophobicContact CB-CB 4.46Å; L558-W570 HydrophobicContact CB-CE3 4.35Å; L558-W570 HydrophobicContact CD2-CE3 4.31Å; L558-W570 HydrophobicContact CG-CE3 4.07Å; L558-W570 PolarHBondContact N-O 3.28Å; L558-W570 VanDerWaalsContact O-CE3 3.26Å; L558-W570 PolarHBondContact O-N 3.43Å; L558-L572 HydrophobicContact CB-CD1 4.26Å; L558-L572 HydrophobicContact CB-CD2 4.17Å; L558-L572 HydrophobicContact CB-CG 4.25Å; L558-L572 HydrophobicContact CD2-CD2 4.34Å
559L90.3Very high87.6Confident0 Ų030.5 Ų30.50%017%0.172CC..EExtended strand (participates in β ladder)trans-109.5144.4176.2-66.586000110.6L547 C548 F557 L567 C568 C569 W579 L588 M597 F612 P614L547-L559 WeakPolarHBondContact CA-O 3.2Å; C548-L559 PolarHBondContact N-O 3.09Å; C548-L559 PolarHBondContact O-N 3.34Å; F557-L559 HydrophobicContact CB-CD1 4.42Å; L559-L567 HydrophobicContact CD2-CD1 4.35Å; L559-C568 VanDerWaalsContact CA-O 3.25Å; L559-C568 WeakPolarHBondContact CA-O 3.46Å; L559-C569 HydrophobicContact CG-CB 4.31Å; L559-W579 HydrophobicContact CD2-CH2 4.12Å; L559-W579 HydrophobicContact CD2-CZ2 4.3Å; L559-L588 HydrophobicContact CB-CD2 3.84Å; L559-M597 HydrophobicContact CB-CE 4.45Å; L559-M597 HydrophobicContact CD1-CE 4.07Å; L559-M597 HydrophobicContact CD1-SD 3.45Å; L559-M597 WeakPolarHBondContact CD1-SD 3.41Å; L559-M597 HydrophobicContact CD2-CE 4.23Å; L559-M597 HydrophobicContact CD2-SD 3.87Å; L559-M597 HydrophobicContact CG-CE 4.48Å; L559-M597 HydrophobicContact CG-SD 4.21Å; L559-F612 HydrophobicContact CD2-CE2 3.76Å; L559-F612 HydrophobicContact CD2-CZ 3.91Å; L559-P614 HydrophobicContact CD1-CB 4Å; L559-P614 HydrophobicContact CD1-CG 3.91Å
560G88.9Confident87.6Confident0 Ų030.3 Ų30.30%017%0.171CC..EExtended strand (participates in β ladder)trans-142.1142174.700000111.9D546 C568 W570D546-G560 VanDerWaalsContact O-CA 3.29Å; D546-G560 WeakPolarHBondContact O-CA 3.44Å; G560-C568 PolarHBondContact N-O 3.41Å; G560-C568 PolarHBondContact O-N 2.87Å; G560-W570 VanDerWaalsContact N-CZ3 3.31Å
561T88.2Confident87.8Confident7 Ų731 Ų314%0.04317%0.174CC..EExtended strand (participates in β ladder)trans-102.6139.6173.158.60000109.5I544 R545 D546 Q566 L567 V585 L588I544-T561 CarbonylContact C-O 3.49Å; I544-T561 WeakPolarHBondContact CA-O 3.13Å; R545-T561 PolarHBondContact N-O 3.07Å; D546-T561 VanDerWaalsContact CB-OG1 3.31Å; D546-T561 WeakPolarHBondContact CB-OG1 3.36Å; D546-T561 PolarHBondContact N-OG1 2.66Å; D546-T561 VanDerWaalsContact N-OG1 3.11Å; D546-T561 PolarHBondContact O-N 2.88Å; D546-T561 VanDerWaalsContact O-N 3.09Å; T561-Q566 WeakPolarHBondContact CA-O 3.47Å; T561-L567 HydrophobicContact CG2-CD1 3.83Å; T561-V585 HydrophobicContact CG2-CB 3.82Å; T561-V585 HydrophobicContact CG2-CG1 3.87Å; T561-V585 HydrophobicContact CG2-CG2 4.35Å; T561-L588 HydrophobicContact CG2-CB 4.29Å; T561-L588 HydrophobicContact CG2-CD2 4.21Å
562T86.7Confident88Confident4 Ų429 Ų293%0.02517%0.169CC..EExtended strand (participates in β ladder)trans-108.3160.6-179.2670000111.9P540 I543 S564 N565 Q566P540-T562 HydrophobicContact CB-CG2 3.66Å; I543-T562 CarbonylContact O-C 3.5Å; I543-T562 WeakPolarHBondContact O-CA 3.43Å; T562-S564 PolarHBondContact O-N 3.02Å; T562-S564 PolarHBondContact OG1-N 3.48Å; T562-S564 PolarHBondContact OG1-OG 3.26Å; T562-N565 PolarHBondContact O-N 3.43Å; T562-Q566 HydrophobicContact CG2-CB 4.48Å; T562-Q566 PolarHBondContact N-O 3.31Å; T562-Q566 WeakPolarHBondContact OG1-CB 2.98Å; T562-Q566 PolarHBondContact OG1-N 3.18Å; T562-Q566 PolarHBondContact OG1-O 2.91Å
563S84.9Confident88.2Confident58 Ų5830.8 Ų30.841%0.40618%0.178SC..THydrogen-bonded Turntrans-65.6-16.4170650000113.4I543 N565I543-S563 PolarHBondContact N-OG 2.8Å; I543-S563 PolarHBondContact O-N 2.98Å; S563-N565 PolarHBondContact O-N 2.85Å
564S83.6Confident88.4Confident50 Ų5030.7 Ų30.735%0.3517%0.174SC..THydrogen-bonded Turntrans-86.213.517560.20000113P541 T562 Q566P541-S564 WeakPolarHBondContact O-CB 3.31Å; P541-S564 PolarHBondContact O-OG 3.06Å; T562-S564 PolarHBondContact O-N 3.02Å; T562-S564 PolarHBondContact OG1-N 3.48Å; T562-S564 PolarHBondContact OG1-OG 3.26Å; S564-Q566 PolarHBondContact O-N 3.27Å
565N85.6Confident88.5Confident54 Ų5433.7 Ų33.729%0.28919%0.194SC..SBendtrans58.345.1-178.7-60.7-16.6000112.4T562 S563 S582 M583 E584T562-N565 PolarHBondContact O-N 3.43Å; S563-N565 PolarHBondContact O-N 2.85Å; N565-S582 CarbonylContact O-C 3.55Å; N565-S582 WeakPolarHBondContact O-CA 3.31Å; N565-S582 PolarHBondContact O-OG 3.19Å; N565-M583 CarbonylContact C-O 3.56Å; N565-M583 VanDerWaalsContact C-O 3.28Å; N565-M583 CarbonylContact O-C 3.54Å; N565-M583 PolarHBondContact O-N 3.14Å; N565-M583 VanDerWaalsContact O-O 3.1Å; N565-E584 HydrophobicContact CB-CB 4.28Å
566Q88.6Confident88.6Confident58 Ų5833 Ų3327%0.27119%0.19SC..EExtended strand (participates in β ladder)trans-115.3137.6171.2-59.4-174.2-14.200110.4P541 T561 T562 S564 T581P541-Q566 VanDerWaalsContact CD-OE1 3.3Å; T561-Q566 WeakPolarHBondContact CA-O 3.47Å; T562-Q566 HydrophobicContact CG2-CB 4.48Å; T562-Q566 PolarHBondContact N-O 3.31Å; T562-Q566 WeakPolarHBondContact OG1-CB 2.98Å; T562-Q566 PolarHBondContact OG1-N 3.18Å; T562-Q566 PolarHBondContact OG1-O 2.91Å; S564-Q566 PolarHBondContact O-N 3.27Å; Q566-T581 WeakPolarHBondContact CA-O 3.25Å
567L89.1Confident88.5Confident3 Ų331.7 Ų31.72%0.01619%0.186CC..EExtended strand (participates in β ladder)trans-103.6118.5167.6176.667.6000107.8L559 T561 W579 S580 T581 V585 L588 F612L559-L567 HydrophobicContact CD2-CD1 4.35Å; T561-L567 HydrophobicContact CG2-CD1 3.83Å; L567-W579 HydrophobicContact CD2-CH2 3.96Å; L567-W579 HydrophobicContact CD2-CZ3 4.04Å; L567-W579 HydrophobicContact CG-CH2 4.19Å; L567-W579 HydrophobicContact CG-CZ3 4.03Å; L567-S580 WeakPolarHBondContact O-CA 3.41Å; L567-T581 HydrophobicContact CB-CG2 3.88Å; L567-T581 HydrophobicContact CD2-CG2 4.21Å; L567-T581 HydrophobicContact CG-CG2 4.44Å; L567-T581 PolarHBondContact N-O 3Å; L567-T581 PolarHBondContact O-N 2.8Å; L567-V585 HydrophobicContact CB-CG2 4.32Å; L567-L588 HydrophobicContact CD1-CD1 4.27Å; L567-L588 HydrophobicContact CD1-CD2 4.07Å; L567-F612 HydrophobicContact CD2-CE1 4.35Å; L567-F612 HydrophobicContact CD2-CZ 3.86Å
568C89.4Confident88.4Confident2 Ų235.8 Ų35.81%0.01421%0.205CC..EExtended strand (participates in β ladder)trans-112.7136.3-176.5-66.10000110L559 G560 W570 L577L559-C568 VanDerWaalsContact CA-O 3.25Å; L559-C568 WeakPolarHBondContact CA-O 3.46Å; G560-C568 PolarHBondContact N-O 3.41Å; G560-C568 PolarHBondContact O-N 2.87Å; C568-W570 HydrophobicContact CB-CH2 3.77Å; C568-W570 HydrophobicContact CB-CZ2 3.65Å; C568-W570 HydrophobicContact CB-CZ3 4.32Å; C568-L577 HydrophobicContact CB-CD1 3.68Å
569C91Very high88.3Confident0 Ų037.6 Ų37.60%021%0.212CC..EExtended strand (participates in β ladder)trans-116115.4171.6-175.20000109.8L559 E578 W579L559-C569 HydrophobicContact CG-CB 4.31Å; C569-E578 PolarHBondContact O-N 3.11Å; C569-W579 HydrophobicContact CB-CD2 3.63Å; C569-W579 HydrophobicContact CB-CE3 4.13Å; C569-W579 HydrophobicContact CB-CG 4.11Å; C569-W579 HydrophobicContact CB-CH2 3.99Å; C569-W579 HydrophobicContact CB-CZ2 3.47Å; C569-W579 VanDerWaalsContact CB-CZ2 3.47Å; C569-W579 HydrophobicContact CB-CZ3 4.28Å; C569-W579 PolarHBondContact N-O 3.3Å
570W91Very high88.3Confident0 Ų040.9 Ų40.90%024%0.235CC..EExtended strand (participates in β ladder)trans-97.2136.8174.3-59.9-79.8000110.5V523 L537 P540 L547 F557 L558 G560 C568 L577V523-W570 HydrophobicContact CG2-CH2 4.18Å; V523-W570 HydrophobicContact CG2-CZ3 4.31Å; L537-W570 HydrophobicContact CD1-CB 4.08Å; L537-W570 HydrophobicContact CD1-CD2 4.14Å; L537-W570 HydrophobicContact CD1-CG 3.84Å; P540-W570 HydrophobicContact CB-CZ2 4.11Å; P540-W570 HydrophobicContact CG-CH2 4.44Å; P540-W570 HydrophobicContact CG-CZ2 3.92Å; L547-W570 HydrophobicContact CD2-CZ3 4.26Å; F557-W570 CarbonylContact C-O 3.57Å; F557-W570 WeakPolarHBondContact CA-O 3.41Å; L558-W570 HydrophobicContact CB-CB 4.46Å; L558-W570 HydrophobicContact CB-CE3 4.35Å; L558-W570 HydrophobicContact CD2-CE3 4.31Å; L558-W570 HydrophobicContact CG-CE3 4.07Å; L558-W570 PolarHBondContact N-O 3.28Å; L558-W570 VanDerWaalsContact O-CE3 3.26Å; L558-W570 PolarHBondContact O-N 3.43Å; G560-W570 VanDerWaalsContact N-CZ3 3.31Å; C568-W570 HydrophobicContact CB-CH2 3.77Å; C568-W570 HydrophobicContact CB-CZ2 3.65Å; C568-W570 HydrophobicContact CB-CZ3 4.32Å; W570-L577 HydrophobicContact CG-CD1 4.43Å
571N91.3Very high88.2Confident15 Ų1543.5 Ų43.58%0.0825%0.252CS..EExtended strand (participates in β ladder)trans-96.2114.9169.1-178.7-16.3000108.7F557 L573 T574 C575 S576 E578F557-N571 HydrophobicContact CD1-CB 4.04Å; F557-N571 HydrophobicContact CE1-CB 3.9Å; N571-L573 VanDerWaalsContact C-N 3.28Å; N571-L573 PolarHBondContact O-N 3.29Å; N571-L573 WeakPolarHBondContact OD1-CB 2.82Å; N571-L573 PolarHBondContact OD1-N 2.93Å; N571-T574 WeakPolarHBondContact CB-OG1 3.32Å; N571-T574 PolarHBondContact O-N 3.21Å; N571-T574 PolarHBondContact O-OG1 2.88Å; N571-C575 WeakPolarHBondContact O-CA 3.44Å; N571-C575 PolarHBondContact O-N 3.04Å; N571-S576 PolarHBondContact N-O 3.29Å; N571-S576 PolarHBondContact O-N 3.24Å; N571-E578 HydrophobicContact CB-CB 4.46Å
572L89.1Confident88.2Confident28 Ų2847.7 Ų47.715%0.14728%0.281CS..THydrogen-bonded Turntrans-73.6-19.3-175.2-62.2175.5000113.1L514 L535 L537 F549 K556 L558L514-L572 HydrophobicContact CD1-CD1 4.36Å; L535-L572 HydrophobicContact CD2-CD2 4.27Å; L537-L572 HydrophobicContact CD1-CD2 4.37Å; F549-L572 HydrophobicContact CD1-CD1 4.13Å; F549-L572 HydrophobicContact CE1-CD1 3.45Å; F549-L572 VanDerWaalsContact CE1-CD1 3.45Å; F549-L572 HydrophobicContact CZ-CD1 4.39Å; K556-L572 WeakPolarHBondContact O-CB 3.49Å; K556-L572 WeakPolarHBondContact O-CG 3.27Å; K556-L572 PolarHBondContact O-N 3.32Å; L558-L572 HydrophobicContact CB-CD1 4.26Å; L558-L572 HydrophobicContact CB-CD2 4.17Å; L558-L572 HydrophobicContact CB-CG 4.25Å; L558-L572 HydrophobicContact CD2-CD2 4.34Å
573L89.4Confident88.1Confident139 Ų13949.2 Ų49.273%0.72829%0.288SS*.THydrogen-bonded Turntrans-77.3-34.9174.8-62.9177.3000111.9K556 N571K556-L573 HydrophobicContact CB-CD1 4.09Å; K556-L573 HydrophobicContact CB-CG 4.11Å; K556-L573 HydrophobicContact CD-CD1 3.91Å; N571-L573 VanDerWaalsContact C-N 3.28Å; N571-L573 PolarHBondContact O-N 3.29Å; N571-L573 WeakPolarHBondContact OD1-CB 2.82Å; N571-L573 PolarHBondContact OD1-N 2.93Å
574T87.6Confident88.1Confident81 Ų8149.4 Ų49.450%0.49728%0.283SS..THydrogen-bonded Turntrans-93.3-9.8177.362.40000112.7N571 S576N571-T574 WeakPolarHBondContact CB-OG1 3.32Å; N571-T574 PolarHBondContact O-N 3.21Å; N571-T574 PolarHBondContact O-OG1 2.88Å; T574-S576 PolarHBondContact O-N 3.42Å; T574-S576 PolarHBondContact OG1-OG 3.23Å
575C86.4Confident88.2Confident64 Ų6447.7 Ų47.743%0.43227%0.27SS..THydrogen-bonded Turntrans52.634.6-173.3-60.40000113L535 N571L535-C575 HydrophobicContact CD1-CB 4.11Å; L535-C575 HydrophobicContact CD2-CB 4.34Å; N571-C575 WeakPolarHBondContact O-CA 3.44Å; N571-C575 PolarHBondContact O-N 3.04Å
576S86.9Confident88.2Confident47 Ų4746.8 Ų46.833%0.32927%0.268SS..EExtended strand (participates in β ladder)trans-134154.5-175.768.50000111.8N571 T574 E578N571-S576 PolarHBondContact N-O 3.29Å; N571-S576 PolarHBondContact O-N 3.24Å; T574-S576 PolarHBondContact O-N 3.42Å; T574-S576 PolarHBondContact OG1-OG 3.23Å; S576-E578 PolarHBondContact O-N 2.86Å
577L88.3Confident88.1Confident52 Ų5245.5 Ų45.527%0.27226%0.263SS..EExtended strand (participates in β ladder)trans-66.3122167.4-173.773.3000109.3C568 W570C568-L577 HydrophobicContact CB-CD1 3.68Å; W570-L577 HydrophobicContact CG-CD1 4.43Å
578E88.4Confident88.1Confident89 Ų8945.7 Ų45.742%0.41626%0.264SS..EExtended strand (participates in β ladder)trans-85.7-46.4178.7-172.6175.9-133.500111F557 C569 N571 S576F557-E578 WeakPolarHBondContact CE1-OE2 3.38Å; F557-E578 VanDerWaalsContact CZ-OE2 3.28Å; F557-E578 WeakPolarHBondContact CZ-OE2 2.92Å; C569-E578 PolarHBondContact O-N 3.11Å; N571-E578 HydrophobicContact CB-CB 4.46Å; S576-E578 PolarHBondContact O-N 2.86Å
579W90.2Very high88.2Confident38 Ų3847.4 Ų47.414%0.14427%0.273CS..EExtended strand (participates in β ladder)trans-151.1157.317457.2-97.8000111.3L559 L567 C569 T581 F612 P614 P617L559-W579 HydrophobicContact CD2-CH2 4.12Å; L559-W579 HydrophobicContact CD2-CZ2 4.3Å; L567-W579 HydrophobicContact CD2-CH2 3.96Å; L567-W579 HydrophobicContact CD2-CZ3 4.04Å; L567-W579 HydrophobicContact CG-CH2 4.19Å; L567-W579 HydrophobicContact CG-CZ3 4.03Å; C569-W579 HydrophobicContact CB-CD2 3.63Å; C569-W579 HydrophobicContact CB-CE3 4.13Å; C569-W579 HydrophobicContact CB-CG 4.11Å; C569-W579 HydrophobicContact CB-CH2 3.99Å; C569-W579 HydrophobicContact CB-CZ2 3.47Å; C569-W579 VanDerWaalsContact CB-CZ2 3.47Å; C569-W579 HydrophobicContact CB-CZ3 4.28Å; C569-W579 PolarHBondContact N-O 3.3Å; W579-T581 HydrophobicContact CE3-CG2 4.5Å; W579-T581 HydrophobicContact CZ3-CG2 3.99Å; W579-F612 HydrophobicContact CH2-CD2 4.47Å; W579-F612 AromaticContact CH2-CE2 3.82Å; W579-F612 HydrophobicContact CH2-CE2 3.82Å; W579-F612 HydrophobicContact CH2-CZ 4.44Å; W579-F612 HydrophobicContact CZ2-CD2 4.43Å; W579-F612 HydrophobicContact CZ2-CE2 4.01Å; W579-P614 PolarHBondContact NE1-O 2.89Å; W579-P617 HydrophobicContact CG-CB 4.44Å
580S88.8Confident88.1Confident69 Ų6948.3 Ų48.348%0.48328%0.281SS..EExtended strand (participates in β ladder)trans-141.5138173.257.40000110.1L567L567-S580 WeakPolarHBondContact O-CA 3.41Å
581T88.3Confident88Confident56 Ų5648.4 Ų48.434%0.34428%0.281SS..EExtended strand (participates in β ladder)trans-129.4147.4176.6-173.40000110.7Q566 L567 W579 M583Q566-T581 WeakPolarHBondContact CA-O 3.25Å; L567-T581 HydrophobicContact CB-CG2 3.88Å; L567-T581 HydrophobicContact CD2-CG2 4.21Å; L567-T581 HydrophobicContact CG-CG2 4.44Å; L567-T581 PolarHBondContact N-O 3Å; L567-T581 PolarHBondContact O-N 2.8Å; W579-T581 HydrophobicContact CE3-CG2 4.5Å; W579-T581 HydrophobicContact CZ3-CG2 3.99Å; T581-M583 HydrophobicContact CG2-CG 3.89Å; T581-M583 HydrophobicContact CG2-SD 3.63Å
582S87.4Confident87.5Confident95 Ų9551.3 Ų51.366%0.66430%0.3SS*.EExtended strand (participates in β ladder)trans-89.7107.8176-174.20000109.4N565N565-S582 CarbonylContact O-C 3.55Å; N565-S582 WeakPolarHBondContact O-CA 3.31Å; N565-S582 PolarHBondContact O-OG 3.19Å
583M84.3Confident87.3Confident35 Ų3553.5 Ų53.517%0.17231%0.312CS..  trans-147.6130.7-179-64.6-17978.800108.7N565 T581 V585 C601 F610N565-M583 CarbonylContact C-O 3.56Å; N565-M583 VanDerWaalsContact C-O 3.28Å; N565-M583 CarbonylContact O-C 3.54Å; N565-M583 PolarHBondContact O-N 3.14Å; N565-M583 VanDerWaalsContact O-O 3.1Å; T581-M583 HydrophobicContact CG2-CG 3.89Å; T581-M583 HydrophobicContact CG2-SD 3.63Å; M583-V585 VanDerWaalsContact C-N 3.28Å; M583-V585 HydrophobicContact CB-CG2 3.99Å; M583-V585 PolarHBondContact O-N 2.83Å; M583-C601 VanDerWaalsContact CE-SG 3.55Å; M583-F610 HydrophobicContact CE-CD1 4.27Å; M583-F610 HydrophobicContact CE-CD2 3.34Å; M583-F610 HydrophobicContact CE-CE1 4.36Å; M583-F610 HydrophobicContact CE-CE2 3.45Å; M583-F610 VanDerWaalsContact CE-CE2 3.45Å; M583-F610 HydrophobicContact CE-CG 3.78Å; M583-F610 HydrophobicContact CE-CZ 3.98Å
584E85.7Confident87.2Confident62 Ų6247.6 Ų47.629%0.2928%0.283SS..  trans-76.383.6170.2-174.2177.5160.500109.2N565 C601 H602 R630N565-E584 HydrophobicContact CB-CB 4.28Å; E584-C601 WeakPolarHBondContact O-CA 3.36Å; E584-H602 PolarHBondContact O-N 2.78Å; E584-R630 IonicContact OE1-NH2 2.74Å; E584-R630 PolarHBondContact OE1-NH2 3.37Å
585V85.6Confident87.2Confident14 Ų1445.6 Ų45.69%0.08527%0.269CS..EExtended strand (participates in β ladder)trans-81.3119.2177-176.90000109.3T561 L567 M583 L587 L588 A599 F600T561-V585 HydrophobicContact CG2-CB 3.82Å; T561-V585 HydrophobicContact CG2-CG1 3.87Å; T561-V585 HydrophobicContact CG2-CG2 4.35Å; L567-V585 HydrophobicContact CB-CG2 4.32Å; M583-V585 VanDerWaalsContact C-N 3.28Å; M583-V585 HydrophobicContact CB-CG2 3.99Å; M583-V585 PolarHBondContact O-N 2.83Å; V585-L587 WeakPolarHBondContact CG1-O 3.34Å; V585-L588 HydrophobicContact CG1-CB 4.28Å; V585-A599 HydrophobicContact CG1-CB 4.08Å; V585-A599 HydrophobicContact CG2-CB 4.31Å; V585-F600 CarbonylContact C-O 3.54Å; V585-F600 WeakPolarHBondContact CA-O 3.44Å
586S84.9Confident87.4Confident36 Ų3643.3 Ų43.325%0.25225%0.252SS..EExtended strand (participates in β ladder)trans-83.1-38.4174.157.60000112.1F600S586-F600 PolarHBondContact N-O 3.39Å; S586-F600 PolarHBondContact OG-O 3.42Å
587L86.7Confident87.5Confident31 Ų3141.1 Ų41.116%0.16224%0.237CC..EExtended strand (participates in β ladder)trans-143.3134.4-179-65.3170.7000110V585 F600 V631 A634V585-L587 WeakPolarHBondContact CG1-O 3.34Å; L587-F600 HydrophobicContact CB-CB 4.32Å; L587-F600 HydrophobicContact CB-CD2 4.13Å; L587-F600 PolarHBondContact O-N 2.88Å; L587-V631 HydrophobicContact CD1-CB 4.37Å; L587-V631 HydrophobicContact CD1-CG1 3.79Å; L587-A634 HydrophobicContact CD1-CB 4.38Å
588L90.2Very high87.6Confident6 Ų638.7 Ų38.73%0.03122%0.224CC..EExtended strand (participates in β ladder)trans-119.3126.5175.1-178.467.9000109.6C548 L559 T561 L567 V585 M597 A599 F612C548-L588 HydrophobicContact CB-CD2 4.07Å; C548-L588 HydrophobicContact CB-CG 4.41Å; L559-L588 HydrophobicContact CB-CD2 3.84Å; T561-L588 HydrophobicContact CG2-CB 4.29Å; T561-L588 HydrophobicContact CG2-CD2 4.21Å; L567-L588 HydrophobicContact CD1-CD1 4.27Å; L567-L588 HydrophobicContact CD1-CD2 4.07Å; V585-L588 HydrophobicContact CG1-CB 4.28Å; L588-M597 HydrophobicContact CD1-CE 3.94Å; L588-M597 HydrophobicContact CD2-CE 4.12Å; L588-M597 HydrophobicContact CG-CE 3.9Å; L588-A599 HydrophobicContact CD1-CB 4.21Å; L588-F612 HydrophobicContact CD1-CZ 4.33Å
589L90.1Very high87.7Confident38 Ų3834.5 Ų34.520%0.19921%0.205CC..EExtended strand (participates in β ladder)trans-130.7137.3-177.6-61.8173000110.9M597 A598 F600 A634 F636 L658L589-M597 CarbonylContact O-C 3.32Å; L589-M597 VanDerWaalsContact O-CA 3.23Å; L589-M597 WeakPolarHBondContact O-CA 3.49Å; L589-M597 WeakPolarHBondContact O-CB 3.24Å; L589-A598 PolarHBondContact N-O 2.87Å; L589-A598 PolarHBondContact O-N 2.87Å; L589-F600 HydrophobicContact CD1-CE2 4.32Å; L589-A634 VanDerWaalsContact CD1-C 3.44Å; L589-A634 HydrophobicContact CD1-CB 3.49Å; L589-A634 VanDerWaalsContact CD1-CB 3.49Å; L589-A634 WeakPolarHBondContact CD1-O 3.29Å; L589-F636 HydrophobicContact CB-CD2 4.1Å; L589-F636 HydrophobicContact CB-CE2 3.99Å; L589-L658 HydrophobicContact CD1-CD1 4.13Å
590A89.1Confident87.8Confident20 Ų2032.7 Ų32.717%0.16520%0.198CC..EExtended strand (participates in β ladder)trans-96.6139.2164.800000110C548 R551 P592 M597C548-A590 WeakPolarHBondContact SG-CB 3.42Å; R551-A590 HydrophobicContact CG-CB 4.3Å; A590-P592 WeakPolarHBondContact O-CD 3.38Å; A590-M597 HydrophobicContact CB-CE 4.12Å; A590-M597 HydrophobicContact CB-CG 4.25Å
591D88.7Confident87.8Confident1 Ų129.4 Ų29.41%0.00518%0.175CC..  trans-71.9125.7168.3-176.8-5.7000109.7L593 S594 N596 F636 S656D591-L593 VanDerWaalsContact C-N 3.25Å; D591-L593 PolarHBondContact O-N 3.31Å; D591-L593 PolarHBondContact OD1-N 2.58Å; D591-S594 VanDerWaalsContact CB-OG 3.32Å; D591-S594 WeakPolarHBondContact CB-OG 3.32Å; D591-S594 VanDerWaalsContact O-O 3.13Å; D591-S594 VanDerWaalsContact OD2-CB 3.22Å; D591-S594 WeakPolarHBondContact OD2-CB 3.38Å; D591-S594 PolarHBondContact OD2-OG 3.26Å; D591-N596 WeakPolarHBondContact CB-O 3.36Å; D591-N596 PolarHBondContact N-O 2.98Å; D591-F636 HydrophobicContact CB-CD1 4.29Å; D591-F636 HydrophobicContact CB-CD2 4.15Å; D591-F636 HydrophobicContact CB-CE1 4.4Å; D591-F636 HydrophobicContact CB-CE2 4.27Å; D591-F636 HydrophobicContact CB-CG 4.15Å; D591-F636 HydrophobicContact CB-CZ 4.39Å; D591-S656 WeakPolarHBondContact OD1-CB 3.36Å; D591-S656 PolarHBondContact OD1-OG 3.04Å; D591-S656 WeakPolarHBondContact OD2-CB 3.05Å; D591-S656 PolarHBondContact OD2-OG 2.88Å
592P82.1Confident87.6Confident76 Ų7628.5 Ų28.549%0.49417%0.167SC..SBendtrans-61-29.8176.4-2434000114.4A590A590-P592 WeakPolarHBondContact O-CD 3.38Å
593L84.6Confident87.3Confident74 Ų7428.4 Ų28.439%0.38716%0.156SC..SBendtrans-108-4.5-170-64.3-176.4000114.6D591 P638 R655D591-L593 VanDerWaalsContact C-N 3.25Å; D591-L593 PolarHBondContact O-N 3.31Å; D591-L593 PolarHBondContact OD1-N 2.58Å; L593-P638 HydrophobicContact CD1-CB 3.58Å; L593-R655 HydrophobicContact CB-CB 4.37Å; L593-R655 PolarHBondContact O-NH1 3.36Å
594S85.9Confident87Confident16 Ų1634.8 Ų34.811%0.11219%0.19CC..SBendtrans-136.6172.4-179.682.10000112.4D591 N596D591-S594 VanDerWaalsContact CB-OG 3.32Å; D591-S594 WeakPolarHBondContact CB-OG 3.32Å; D591-S594 VanDerWaalsContact O-O 3.13Å; D591-S594 VanDerWaalsContact OD2-CB 3.22Å; D591-S594 WeakPolarHBondContact OD2-CB 3.38Å; D591-S594 PolarHBondContact OD2-OG 3.26Å; S594-N596 PolarHBondContact O-N 2.7Å; S594-N596 WeakPolarHBondContact OG-CB 3.12Å; S594-N596 PolarHBondContact OG-N 3.32Å; S594-N596 PolarHBondContact OG-ND2 3.22Å
595D87.9Confident86.7Confident39 Ų3933.7 Ų33.721%0.20920%0.196CC..SBendtrans-78.9-0.6175.4-56.9-64.4000113L552 S553 K613 P614L552-D595 WeakPolarHBondContact CB-OD1 3.36Å; S553-D595 WeakPolarHBondContact CB-OD1 3.49Å; S553-D595 PolarHBondContact N-OD1 2.82Å; S553-D595 PolarHBondContact OG-OD1 3.45Å; S553-D595 PolarHBondContact OG-OD2 3.16Å; D595-K613 HydrophobicContact CB-CG 4.5Å; D595-P614 WeakPolarHBondContact O-CD 3.19Å
596N90.3Very high86.6Confident16 Ų1635.7 Ų35.79%0.08621%0.206CC..  trans-85.5148.5-170.6-58.1-36.3000111.6D591 S594 V611 L620 W652D591-N596 WeakPolarHBondContact CB-O 3.36Å; D591-N596 PolarHBondContact N-O 2.98Å; S594-N596 PolarHBondContact O-N 2.7Å; S594-N596 WeakPolarHBondContact OG-CB 3.12Å; S594-N596 PolarHBondContact OG-N 3.32Å; S594-N596 PolarHBondContact OG-ND2 3.22Å; N596-V611 HydrophobicContact CB-CG1 4.17Å; N596-L620 WeakPolarHBondContact OD1-CD1 3.45Å; N596-W652 WeakPolarHBondContact ND2-CB 3.39Å
597M90.3Very high86.8Confident1 Ų134 Ų341%0.00519%0.194CC..EExtended strand (participates in β ladder)trans-126.2147.1171.9-63.4-168.769.400110.1C548 L559 L588 L589 A590 V611 F612 P614C548-M597 HydrophobicContact CB-CE 3.83Å; L559-M597 HydrophobicContact CB-CE 4.45Å; L559-M597 HydrophobicContact CD1-CE 4.07Å; L559-M597 HydrophobicContact CD1-SD 3.45Å; L559-M597 WeakPolarHBondContact CD1-SD 3.41Å; L559-M597 HydrophobicContact CD2-CE 4.23Å; L559-M597 HydrophobicContact CD2-SD 3.87Å; L559-M597 HydrophobicContact CG-CE 4.48Å; L559-M597 HydrophobicContact CG-SD 4.21Å; L588-M597 HydrophobicContact CD1-CE 3.94Å; L588-M597 HydrophobicContact CD2-CE 4.12Å; L588-M597 HydrophobicContact CG-CE 3.9Å; L589-M597 CarbonylContact O-C 3.32Å; L589-M597 VanDerWaalsContact O-CA 3.23Å; L589-M597 WeakPolarHBondContact O-CA 3.49Å; L589-M597 WeakPolarHBondContact O-CB 3.24Å; A590-M597 HydrophobicContact CB-CE 4.12Å; A590-M597 HydrophobicContact CB-CG 4.25Å; M597-V611 CarbonylContact O-C 3.44Å; M597-V611 VanDerWaalsContact O-CA 3.27Å; M597-V611 WeakPolarHBondContact O-CA 3.38Å; M597-F612 HydrophobicContact CB-CE1 4.36Å; M597-F612 HydrophobicContact CB-CE2 4.4Å; M597-F612 HydrophobicContact CB-CZ 4.14Å; M597-F612 PolarHBondContact N-O 3.14Å; M597-F612 PolarHBondContact O-N 3.48Å; M597-P614 HydrophobicContact CG-CG 3.94Å; M597-P614 HydrophobicContact SD-CG 3.43Å; M597-P614 WeakPolarHBondContact SD-CG 3.4Å
598A90.9Very high86.9Confident0 Ų033.1 Ų33.10%019%0.19CC..EExtended strand (participates in β ladder)trans-112.8130.6174.400000110L589 L609 F610 V611 F636 L658L589-A598 PolarHBondContact N-O 2.87Å; L589-A598 PolarHBondContact O-N 2.87Å; A598-L609 HydrophobicContact CB-CD1 3.94Å; A598-F610 WeakPolarHBondContact CA-O 3.18Å; A598-V611 HydrophobicContact CB-CG2 4.49Å; A598-F636 HydrophobicContact CB-CE2 3.73Å; A598-F636 HydrophobicContact CB-CZ 3.68Å; A598-L658 HydrophobicContact CB-CD2 4.16Å
599A90.5Very high86.9Confident1 Ų132.9 Ų32.91%0.00819%0.188CC..EExtended strand (participates in β ladder)trans-116.7122.6169.200000109.3V585 L588 F610 F612V585-A599 HydrophobicContact CG1-CB 4.08Å; V585-A599 HydrophobicContact CG2-CB 4.31Å; L588-A599 HydrophobicContact CD1-CB 4.21Å; A599-F610 PolarHBondContact N-O 3.15Å; A599-F610 PolarHBondContact O-N 2.58Å; A599-F612 HydrophobicContact CB-CE1 3.89Å
600F91Very high86.9Confident0 Ų033 Ų330%019%0.187CC..EExtended strand (participates in β ladder)trans-89.2127.9168.6-71.6-83.3000108.9V585 S586 L587 L589 T607 D608 L609 V631 A634 L658 F660V585-F600 CarbonylContact C-O 3.54Å; V585-F600 WeakPolarHBondContact CA-O 3.44Å; S586-F600 PolarHBondContact N-O 3.39Å; S586-F600 PolarHBondContact OG-O 3.42Å; L587-F600 HydrophobicContact CB-CB 4.32Å; L587-F600 HydrophobicContact CB-CD2 4.13Å; L587-F600 PolarHBondContact O-N 2.88Å; L589-F600 HydrophobicContact CD1-CE2 4.32Å; F600-T607 HydrophobicContact CB-CG2 3.9Å; F600-T607 HydrophobicContact CD1-CG2 3.78Å; F600-T607 HydrophobicContact CG-CG2 4.32Å; F600-D608 WeakPolarHBondContact CA-O 3.45Å; F600-L609 HydrophobicContact CD1-CB 4.46Å; F600-L609 HydrophobicContact CD1-CD1 4.12Å; F600-L609 HydrophobicContact CD2-CD1 4.49Å; F600-L609 HydrophobicContact CE1-CB 4.37Å; F600-L609 HydrophobicContact CE1-CD1 3.89Å; F600-L609 HydrophobicContact CE2-CD1 4.26Å; F600-L609 HydrophobicContact CG-CD1 4.44Å; F600-L609 HydrophobicContact CZ-CD1 3.97Å; F600-V631 HydrophobicContact CD1-CB 4.33Å; F600-V631 HydrophobicContact CD1-CG1 4.5Å; F600-V631 HydrophobicContact CD1-CG2 3.89Å; F600-V631 HydrophobicContact CE1-CG2 4.1Å; F600-A634 HydrophobicContact CD2-CB 4.22Å; F600-A634 HydrophobicContact CE2-CB 3.45Å; F600-A634 VanDerWaalsContact CE2-CB 3.45Å; F600-A634 HydrophobicContact CZ-CB 3.99Å; F600-L658 HydrophobicContact CE2-CD2 4.31Å; F600-L658 HydrophobicContact CZ-CD2 3.91Å; F600-L658 HydrophobicContact CZ-CG 4.4Å; F600-F660 HydrophobicContact CE1-CG 4.34Å; F600-F660 HydrophobicContact CZ-CB 4.01Å; F600-F660 HydrophobicContact CZ-CD1 4.33Å; F600-F660 HydrophobicContact CZ-CG 4.18Å
601C88.4Confident87Confident0 Ų032 Ų320%018%0.179CC..EExtended strand (participates in β ladder)trans-118130.7179.8-68.50000110.8M583 E584 T607 D608 F610M583-C601 VanDerWaalsContact CE-SG 3.55Å; E584-C601 WeakPolarHBondContact O-CA 3.36Å; C601-T607 CarbonylContact O-C 3.57Å; C601-T607 WeakPolarHBondContact O-CA 3.29Å; C601-D608 PolarHBondContact N-O 2.94Å; C601-D608 PolarHBondContact O-N 3.37Å; C601-F610 HydrophobicContact CB-CD2 4.22Å; C601-F610 HydrophobicContact CB-CE2 3.91Å
602H85.4Confident87.1Confident38 Ų3832.6 Ų32.618%0.17618%0.182CC..EExtended strand (participates in β ladder)trans-98.9118.6177.7-173.164.1000109.9E584 N606E584-H602 PolarHBondContact O-N 2.78Å; H602-N606 WeakPolarHBondContact CA-O 3.16Å; H602-N606 PolarHBondContact ND1-O 2.92Å; H602-N606 VanDerWaalsContact ND1-O 3.11Å
603Q81.6Confident87.4Confident93 Ų9332.1 Ų32.144%0.43517%0.172SC..EExtended strand (participates in β ladder)trans-140.6135.4176.9-64.8-175.211.700109.4G605 N606Q603-G605 PolarHBondContact O-N 3.32Å; Q603-G605 VanDerWaalsContact O-N 3.1Å; Q603-N606 PolarHBondContact N-O 3.02Å; Q603-N606 PolarHBondContact O-N 2.86Å; Q603-N606 VanDerWaalsContact O-O 3.06Å
604D76.9Confident87.6Confident168 Ų16828.6 Ų28.690%0.89815%0.154SC*.THydrogen-bonded Turntrans50.937.4174.1-58.6-30.1000115N606D604-N606 VanDerWaalsContact C-N 3.25Å; D604-N606 PolarHBondContact O-N 2.97Å
605G78.9Confident87.6Confident39 Ų3930.2 Ų30.240%0.40217%0.165SC..THydrogen-bonded Turntrans80.6-3.2179.200000114.8Q603 G629Q603-G605 PolarHBondContact O-N 3.32Å; Q603-G605 VanDerWaalsContact O-N 3.1Å; G605-G629 VanDerWaalsContact O-CA 3.27Å; G605-G629 WeakPolarHBondContact O-CA 3.44Å; G605-G629 PolarHBondContact O-N 3.48Å
606N84.9Confident87.5Confident56 Ų5632.8 Ų32.830%0.29918%0.176SC..EExtended strand (participates in β ladder)trans-110.5160.4175.1-71.1-24.8000111.4H602 Q603 D604 A625H602-N606 WeakPolarHBondContact CA-O 3.16Å; H602-N606 PolarHBondContact ND1-O 2.92Å; H602-N606 VanDerWaalsContact ND1-O 3.11Å; Q603-N606 PolarHBondContact N-O 3.02Å; Q603-N606 PolarHBondContact O-N 2.86Å; Q603-N606 VanDerWaalsContact O-O 3.06Å; D604-N606 VanDerWaalsContact C-N 3.25Å; D604-N606 PolarHBondContact O-N 2.97Å; N606-A625 HydrophobicContact CB-CB 4.17Å
607T87.3Confident86.6Confident0 Ų036.9 Ų36.90%020%0.203CC..EExtended strand (participates in β ladder)trans-108.2127.4169.8-56.20000110.9F600 C601 V626 C627 G629 R630 V631F600-T607 HydrophobicContact CB-CG2 3.9Å; F600-T607 HydrophobicContact CD1-CG2 3.78Å; F600-T607 HydrophobicContact CG-CG2 4.32Å; C601-T607 CarbonylContact O-C 3.57Å; C601-T607 WeakPolarHBondContact O-CA 3.29Å; T607-V626 WeakPolarHBondContact O-CB 3.42Å; T607-V626 PolarHBondContact O-N 3.11Å; T607-C627 PolarHBondContact N-O 2.92Å; T607-G629 PolarHBondContact OG1-O 3.23Å; T607-R630 WeakPolarHBondContact OG1-CA 3.47Å; T607-V631 HydrophobicContact CG2-CB 4.35Å; T607-V631 HydrophobicContact CG2-CG2 3.71Å; T607-V631 PolarHBondContact OG1-N 3.01Å
608D90.1Very high86.3Confident14 Ų1446.3 Ų46.38%0.07524%0.239CC..EExtended strand (participates in β ladder)trans-98.9148.7172.1-68.1-8000109.9F600 C601 F610 Q623 K624 A625F600-D608 WeakPolarHBondContact CA-O 3.45Å; C601-D608 PolarHBondContact N-O 2.94Å; C601-D608 PolarHBondContact O-N 3.37Å; D608-F610 HydrophobicContact CB-CE2 3.9Å; D608-F610 HydrophobicContact CB-CZ 4.32Å; D608-Q623 WeakPolarHBondContact CA-O 3.29Å; D608-K624 VanDerWaalsContact OD1-CA 3.23Å; D608-K624 WeakPolarHBondContact OD1-CA 3.49Å; D608-A625 PolarHBondContact OD1-N 2.8Å
609L90.9Very high86Confident0 Ų049.4 Ų49.40%026%0.259CS..EExtended strand (participates in β ladder)trans-113.8131.3175.4173.766.1000110.4A598 F600 V611 S622 Q623 V626 W652 L658 F670A598-L609 HydrophobicContact CB-CD1 3.94Å; F600-L609 HydrophobicContact CD1-CB 4.46Å; F600-L609 HydrophobicContact CD1-CD1 4.12Å; F600-L609 HydrophobicContact CD2-CD1 4.49Å; F600-L609 HydrophobicContact CE1-CB 4.37Å; F600-L609 HydrophobicContact CE1-CD1 3.89Å; F600-L609 HydrophobicContact CE2-CD1 4.26Å; F600-L609 HydrophobicContact CG-CD1 4.44Å; F600-L609 HydrophobicContact CZ-CD1 3.97Å; L609-V611 HydrophobicContact CD1-CG2 4.3Å; L609-V611 HydrophobicContact CD2-CG2 4.21Å; L609-V611 HydrophobicContact CG-CG2 4.16Å; L609-S622 WeakPolarHBondContact O-CA 3.44Å; L609-Q623 PolarHBondContact N-O 3.42Å; L609-Q623 PolarHBondContact O-N 2.68Å; L609-V626 HydrophobicContact CB-CG2 3.82Å; L609-W652 HydrophobicContact CD2-CH2 4.16Å; L609-L658 HydrophobicContact CD1-CD2 4.08Å; L609-L658 HydrophobicContact CD2-CD2 3.91Å; L609-F670 HydrophobicContact CD2-CD2 4.44Å; L609-F670 HydrophobicContact CD2-CE1 4.01Å; L609-F670 HydrophobicContact CD2-CE2 3.58Å; L609-F670 HydrophobicContact CD2-CZ 3.32Å
610F90.1Very high85.7Confident40 Ų4053.3 Ų53.318%0.17528%0.279CS..EExtended strand (participates in β ladder)trans-121.2123.8170.5-60.3-84.1000110M583 A598 A599 C601 D608 P619M583-F610 HydrophobicContact CE-CD1 4.27Å; M583-F610 HydrophobicContact CE-CD2 3.34Å; M583-F610 HydrophobicContact CE-CE1 4.36Å; M583-F610 HydrophobicContact CE-CE2 3.45Å; M583-F610 VanDerWaalsContact CE-CE2 3.45Å; M583-F610 HydrophobicContact CE-CG 3.78Å; M583-F610 HydrophobicContact CE-CZ 3.98Å; A598-F610 WeakPolarHBondContact CA-O 3.18Å; A599-F610 PolarHBondContact N-O 3.15Å; A599-F610 PolarHBondContact O-N 2.58Å; C601-F610 HydrophobicContact CB-CD2 4.22Å; C601-F610 HydrophobicContact CB-CE2 3.91Å; D608-F610 HydrophobicContact CB-CE2 3.9Å; D608-F610 HydrophobicContact CB-CZ 4.32Å; F610-P619 HydrophobicContact CD1-CB 4.42Å; F610-P619 HydrophobicContact CD1-CG 4.47Å
611V90.2Very high85.5Confident0 Ų054.8 Ų54.80%029%0.286CS..EExtended strand (participates in β ladder)trans-110.1128.2173.1-176.10000108.7N596 M597 A598 L609 P619 L620 F621 W652N596-V611 HydrophobicContact CB-CG1 4.17Å; M597-V611 CarbonylContact O-C 3.44Å; M597-V611 VanDerWaalsContact O-CA 3.27Å; M597-V611 WeakPolarHBondContact O-CA 3.38Å; A598-V611 HydrophobicContact CB-CG2 4.49Å; L609-V611 HydrophobicContact CD1-CG2 4.3Å; L609-V611 HydrophobicContact CD2-CG2 4.21Å; L609-V611 HydrophobicContact CG-CG2 4.16Å; V611-P619 CarbonylContact O-C 3.47Å; V611-P619 WeakPolarHBondContact O-CA 3.24Å; V611-L620 PolarHBondContact O-N 2.94Å; V611-F621 HydrophobicContact CB-CB 4.17Å; V611-F621 HydrophobicContact CG2-CD1 4.31Å; V611-F621 PolarHBondContact N-O 3.06Å; V611-F621 PolarHBondContact O-N 3.29Å; V611-F621 VanDerWaalsContact O-N 3.15Å; V611-W652 HydrophobicContact CB-CD2 4.43Å; V611-W652 HydrophobicContact CG1-CB 4.2Å; V611-W652 HydrophobicContact CG1-CD2 4.01Å; V611-W652 HydrophobicContact CG1-CE3 4.12Å; V611-W652 HydrophobicContact CG1-CG 4.06Å; V611-W652 HydrophobicContact CG2-CD2 4.06Å; V611-W652 HydrophobicContact CG2-CE3 4.04Å; V611-W652 HydrophobicContact CG2-CH2 4.01Å; V611-W652 HydrophobicContact CG2-CZ2 4.03Å; V611-W652 HydrophobicContact CG2-CZ3 4.01Å
612F90.5Very high85.4Confident14 Ų1458.2 Ų58.26%0.06131%0.31CS..EExtended strand (participates in β ladder)trans-150.9164.8-173.464.9-83.1000111.8L559 L567 W579 L588 M597 A599 P619L559-F612 HydrophobicContact CD2-CE2 3.76Å; L559-F612 HydrophobicContact CD2-CZ 3.91Å; L567-F612 HydrophobicContact CD2-CE1 4.35Å; L567-F612 HydrophobicContact CD2-CZ 3.86Å; W579-F612 HydrophobicContact CH2-CD2 4.47Å; W579-F612 AromaticContact CH2-CE2 3.82Å; W579-F612 HydrophobicContact CH2-CE2 3.82Å; W579-F612 HydrophobicContact CH2-CZ 4.44Å; W579-F612 HydrophobicContact CZ2-CD2 4.43Å; W579-F612 HydrophobicContact CZ2-CE2 4.01Å; L588-F612 HydrophobicContact CD1-CZ 4.33Å; M597-F612 HydrophobicContact CB-CE1 4.36Å; M597-F612 HydrophobicContact CB-CE2 4.4Å; M597-F612 HydrophobicContact CB-CZ 4.14Å; M597-F612 PolarHBondContact N-O 3.14Å; M597-F612 PolarHBondContact O-N 3.48Å; A599-F612 HydrophobicContact CB-CE1 3.89Å; F612-P619 HydrophobicContact CB-CB 4.43Å
613K89.6Confident85.4Confident65 Ų6558.5 Ų58.528%0.28331%0.311SS..  trans-98.8135.3169.5-73.5174.5179.2177.50109D595 S615 E616 L620D595-K613 HydrophobicContact CB-CG 4.5Å; K613-S615 PolarHBondContact O-N 3.29Å; K613-S615 VanDerWaalsContact O-N 3.08Å; K613-E616 CarbonylContact O-C 3.59Å; K613-E616 PolarHBondContact O-N 3.44Å; K613-L620 HydrophobicContact CD-CD1 4.24Å; K613-L620 HydrophobicContact CG-CD1 3.95Å
614P87.4Confident85.6Confident0 Ų062.1 Ų62.10%033%0.325CS..THydrogen-bonded Turntrans-54.6-30.4177.8-32.239.3000115.1C554 F557 L559 W579 D595 M597 E616C554-P614 HydrophobicContact CB-CB 4.23Å; C554-P614 HydrophobicContact CB-CG 4.08Å; F557-P614 HydrophobicContact CB-CB 3.85Å; F557-P614 HydrophobicContact CD2-CB 3.78Å; F557-P614 HydrophobicContact CG-CB 4.02Å; L559-P614 HydrophobicContact CD1-CB 4Å; L559-P614 HydrophobicContact CD1-CG 3.91Å; W579-P614 PolarHBondContact NE1-O 2.89Å; D595-P614 WeakPolarHBondContact O-CD 3.19Å; M597-P614 HydrophobicContact CG-CG 3.94Å; M597-P614 HydrophobicContact SD-CG 3.43Å; M597-P614 WeakPolarHBondContact SD-CG 3.4Å; P614-E616 VanDerWaalsContact C-N 3.25Å; P614-E616 PolarHBondContact O-N 3.17Å
615S87.3Confident85.7Confident51 Ų5156.7 Ų56.736%0.35730%0.304SS..THydrogen-bonded Turntrans-68.2-21.7177.457.90000114.1K613K613-S615 PolarHBondContact O-N 3.29Å; K613-S615 VanDerWaalsContact O-N 3.08Å
616E84.7Confident85.8Confident93 Ų9355.4 Ų55.444%0.43529%0.288SS..  trans-124122.7-173.6-69.2179.2-155.500110K613 P614 R618K613-E616 CarbonylContact O-C 3.59Å; K613-E616 PolarHBondContact O-N 3.44Å; P614-E616 VanDerWaalsContact C-N 3.25Å; P614-E616 PolarHBondContact O-N 3.17Å; E616-R618 PolarHBondContact O-N 3.46Å; E616-R618 VanDerWaalsContact O-N 3.07Å
617P72.4Confident85.5Confident101 Ų10153.4 Ų53.466%0.65628%0.279SS*.SBendtrans-71.9-2.9-179.529.5-35.6000113.4W579W579-P617 HydrophobicContact CG-CB 4.44Å
618R83.3Confident85Confident199 Ų19956 Ų5675%0.75130%0.297SS*.SBendtrans-98132.5-179.9-68-176.4178.3179.80110.1E616E616-R618 PolarHBondContact O-N 3.46Å; E616-R618 VanDerWaalsContact O-N 3.07Å
619P84.9Confident84.4Confident66 Ų6656.7 Ų56.743%0.42931%0.307SS..EExtended strand (participates in β ladder)trans-69.3138.8175.629.1-33.3000111F610 V611 F612F610-P619 HydrophobicContact CD1-CB 4.42Å; F610-P619 HydrophobicContact CD1-CG 4.47Å; V611-P619 CarbonylContact O-C 3.47Å; V611-P619 WeakPolarHBondContact O-CA 3.24Å; F612-P619 HydrophobicContact CB-CB 4.43Å
620L84.7Confident83.9Confident82 Ų8261.9 Ų61.943%0.42933%0.326SS..EExtended strand (participates in β ladder)trans-72.6-38.9171.4-65.8176.6000110.9N596 V611 K613N596-L620 WeakPolarHBondContact OD1-CD1 3.45Å; V611-L620 PolarHBondContact O-N 2.94Å; K613-L620 HydrophobicContact CD-CD1 4.24Å; K613-L620 HydrophobicContact CG-CD1 3.95Å
621F85.3Confident83.6Confident32 Ų3260.1 Ų60.114%0.1432%0.319CS..EExtended strand (participates in β ladder)trans-140.3140.1179.9179.2-101.5000110.4I7 V611 Q623 W652I7-F621 HydrophobicContact CB-CZ 4.28Å; I7-F621 HydrophobicContact CD1-CD2 4.26Å; I7-F621 HydrophobicContact CD1-CE2 3.76Å; I7-F621 HydrophobicContact CD1-CZ 4.03Å; I7-F621 HydrophobicContact CG2-CZ 4.45Å; V611-F621 HydrophobicContact CB-CB 4.17Å; V611-F621 HydrophobicContact CG2-CD1 4.31Å; V611-F621 PolarHBondContact N-O 3.06Å; V611-F621 PolarHBondContact O-N 3.29Å; V611-F621 VanDerWaalsContact O-N 3.15Å; F621-Q623 HydrophobicContact CE1-CB 3.74Å; F621-Q623 HydrophobicContact CZ-CB 3.88Å; F621-W652 AromaticContact CD1-CZ2 3.82Å; F621-W652 HydrophobicContact CD1-CZ2 3.82Å; F621-W652 AromaticContact CD1-NE1 3.86Å; F621-W652 HydrophobicContact CE1-CZ2 4.04Å; F621-W652 HydrophobicContact CG-CZ2 4.49Å; F621-W652 AromaticContact CG-NE1 3.65Å
622S87.4Confident83.2Confident72 Ų7261.6 Ų61.650%0.50333%0.33SS..EExtended strand (participates in β ladder)trans-139.6126.4175.165.30000110.4L609L609-S622 WeakPolarHBondContact O-CA 3.44Å
623Q85.3Confident83Confident44 Ų4463.9 Ų63.921%0.20634%0.338CS..EExtended strand (participates in β ladder)trans-126.3126.1173.9-175.21685.500109.7D608 L609 F621 V626 F670D608-Q623 WeakPolarHBondContact CA-O 3.29Å; L609-Q623 PolarHBondContact N-O 3.42Å; L609-Q623 PolarHBondContact O-N 2.68Å; F621-Q623 HydrophobicContact CE1-CB 3.74Å; F621-Q623 HydrophobicContact CZ-CB 3.88Å; Q623-V626 HydrophobicContact CB-CG2 4.12Å; Q623-V626 HydrophobicContact CG-CG2 4Å; Q623-F670 VanDerWaalsContact OE1-CE1 3.27Å
624K84.9Confident83Confident168 Ų16861.1 Ų61.173%0.7333%0.327SS*.EExtended strand (participates in β ladder)trans-88.9146.4177.3-64.1-169.5175.4-169.60111.1D608 V626D608-K624 VanDerWaalsContact OD1-CA 3.23Å; D608-K624 WeakPolarHBondContact OD1-CA 3.49Å; K624-V626 PolarHBondContact O-N 3.28Å
625A80.1Confident83.2Confident55 Ų5562.1 Ų62.146%0.45533%0.333SS..EExtended strand (participates in β ladder)trans51.354.4176.400000113.4N606 D608 C627N606-A625 HydrophobicContact CB-CB 4.17Å; D608-A625 PolarHBondContact OD1-N 2.8Å; A625-C627 VanDerWaalsContact C-N 3.29Å; A625-C627 PolarHBondContact O-N 3.35Å
626V81.4Confident83.3Confident12 Ų1260.1 Ų60.17%0.07332%0.318CS..EExtended strand (participates in β ladder)trans-61-40.5175.41750000110.9V9 T607 L609 Q623 K624 F660 F670V9-V626 HydrophobicContact CG2-CG1 3.86Å; T607-V626 WeakPolarHBondContact O-CB 3.42Å; T607-V626 PolarHBondContact O-N 3.11Å; L609-V626 HydrophobicContact CB-CG2 3.82Å; Q623-V626 HydrophobicContact CB-CG2 4.12Å; Q623-V626 HydrophobicContact CG-CG2 4Å; K624-V626 PolarHBondContact O-N 3.28Å; V626-F660 HydrophobicContact CG1-CE1 4.03Å; V626-F660 HydrophobicContact CG1-CE2 3.71Å; V626-F660 HydrophobicContact CG1-CZ 3.26Å; V626-F670 HydrophobicContact CG1-CE1 4.03Å; V626-F670 HydrophobicContact CG1-CZ 3.68Å; V626-F670 HydrophobicContact CG2-CE1 4.35Å; V626-F670 HydrophobicContact CG2-CZ 4.28Å
627C78.4Confident83.4Confident14 Ų1456 Ų5610%0.09530%0.3CS..EExtended strand (participates in β ladder)trans-147.5154.1173.365.30000111T607 A625 V631 F660 L668T607-C627 PolarHBondContact N-O 2.92Å; A625-C627 VanDerWaalsContact C-N 3.29Å; A625-C627 PolarHBondContact O-N 3.35Å; C627-V631 VanDerWaalsContact SG-CG2 3.5Å; C627-F660 HydrophobicContact CB-CE2 4.5Å; C627-L668 HydrophobicContact CB-CD1 4.49Å
628S75.9Confident84Confident54 Ų5453.2 Ų53.238%0.37828%0.282SS..EExtended strand (participates in β ladder)trans-70.4134.716458.30000110.3T806S628-T806 WeakPolarHBondContact CB-OG1 3.5Å; S628-T806 PolarHBondContact OG-OG1 3.18Å
629G76.8Confident83.8Confident28 Ų2845.7 Ų45.729%0.28925%0.253SS..SBendtrans82.6-171.8-176.400000113.1G605 T607G605-G629 VanDerWaalsContact O-CA 3.27Å; G605-G629 WeakPolarHBondContact O-CA 3.44Å; G605-G629 PolarHBondContact O-N 3.48Å; T607-G629 PolarHBondContact OG1-O 3.23Å
630R81.4Confident83Confident109 Ų10947.7 Ų47.741%0.41126%0.257SS..  trans-93.4127.2-177.3-179.7178.1-80.9-177.7-6.1110.4E584 T607 S632 P663E584-R630 IonicContact OE1-NH2 2.74Å; E584-R630 PolarHBondContact OE1-NH2 3.37Å; T607-R630 WeakPolarHBondContact OG1-CA 3.47Å; R630-S632 PolarHBondContact O-N 3.32Å; R630-P663 VanDerWaalsContact O-CD 3.3Å; R630-P663 WeakPolarHBondContact O-CD 3.33Å; R630-P663 VanDerWaalsContact O-CG 3.22Å; R630-P663 WeakPolarHBondContact O-CG 3.37Å
631V84.4Confident82.4Confident3 Ų349.3 Ų49.32%0.01827%0.27CS..  trans-57.9126.3169.3175.70000109.5L587 F600 T607 C627 A634 F660L587-V631 HydrophobicContact CD1-CB 4.37Å; L587-V631 HydrophobicContact CD1-CG1 3.79Å; F600-V631 HydrophobicContact CD1-CB 4.33Å; F600-V631 HydrophobicContact CD1-CG1 4.5Å; F600-V631 HydrophobicContact CD1-CG2 3.89Å; F600-V631 HydrophobicContact CE1-CG2 4.1Å; T607-V631 HydrophobicContact CG2-CB 4.35Å; T607-V631 HydrophobicContact CG2-CG2 3.71Å; T607-V631 PolarHBondContact OG1-N 3.01Å; C627-V631 VanDerWaalsContact SG-CG2 3.5Å; V631-A634 HydrophobicContact CG1-CB 4.35Å; V631-F660 HydrophobicContact CG1-CB 3.87Å; V631-F660 HydrophobicContact CG1-CD2 4.18Å; V631-F660 HydrophobicContact CG1-CG 4.46Å; V631-F660 HydrophobicContact CG2-CD2 3.87Å; V631-F660 HydrophobicContact CG2-CE2 4.36Å
632S81.8Confident81.7Confident32 Ų3250.3 Ų50.322%0.22428%0.284CS..  trans-81.4-48.7-17462.80000111.3R630 L661 T662R630-S632 PolarHBondContact O-N 3.32Å; S632-L661 PolarHBondContact N-O 3.35Å; S632-L661 PolarHBondContact OG-O 2.89Å; S632-L661 VanDerWaalsContact OG-O 3.04Å; S632-T662 PolarHBondContact OG-O 2.76Å
633R85.9Confident80.9Confident62 Ų6247.8 Ų47.823%0.23427%0.265CS..EExtended strand (participates in β ladder)trans-149.3154.5178.5-64.4-62-174.7-74.8-9.8110.4Q339 T340 D341 L342 F660 L661Q339-R633 PolarHBondContact O-NH2 2.89Å; T340-R633 PolarHBondContact O-NE 3.04Å; D341-R633 WeakPolarHBondContact OD1-CD 3.41Å; D341-R633 IonicContact OD1-CZ 3.91Å; D341-R633 IonicContact OD1-NE 3.67Å; D341-R633 PolarHBondContact OD1-NE 2.91Å; D341-R633 IonicContact OD1-NH2 3.95Å; L342-R633 HydrophobicContact CB-CB 3.81Å; R633-F660 WeakPolarHBondContact O-CA 3.39Å; R633-L661 PolarHBondContact O-N 3.3Å
634A89.8Confident79.6Confident7 Ų754.7 Ų54.76%0.05830%0.297CS..EExtended strand (participates in β ladder)trans-151156176.900000110.8L587 L589 F600 V631 Y659 F660L587-A634 HydrophobicContact CD1-CB 4.38Å; L589-A634 VanDerWaalsContact CD1-C 3.44Å; L589-A634 HydrophobicContact CD1-CB 3.49Å; L589-A634 VanDerWaalsContact CD1-CB 3.49Å; L589-A634 WeakPolarHBondContact CD1-O 3.29Å; F600-A634 HydrophobicContact CD2-CB 4.22Å; F600-A634 HydrophobicContact CE2-CB 3.45Å; F600-A634 VanDerWaalsContact CE2-CB 3.45Å; F600-A634 HydrophobicContact CZ-CB 3.99Å; V631-A634 HydrophobicContact CG1-CB 4.35Å; A634-Y659 CarbonylContact C-O 3.56Å; A634-Y659 WeakPolarHBondContact CA-O 3.38Å; A634-Y659 WeakPolarHBondContact CB-O 3.4Å; A634-F660 HydrophobicContact CB-CB 3.6Å
635V90.7Very high78.1Confident20 Ų2050.5 Ų50.512%0.12129%0.289CS..EExtended strand (participates in β ladder)trans-152.5145.4179.773.10000111L342 V344 L351 Y659L342-V635 HydrophobicContact CB-CB 4.36Å; L342-V635 HydrophobicContact CD2-CB 4.17Å; L342-V635 HydrophobicContact CD2-CG1 3.67Å; L342-V635 HydrophobicContact CG-CB 4.11Å; L342-V635 HydrophobicContact CG-CG1 3.73Å; V344-V635 HydrophobicContact CG2-CG1 3.81Å; V344-V635 HydrophobicContact CG2-CG2 3.89Å; L351-V635 HydrophobicContact CD1-CG1 3.66Å; V635-Y659 PolarHBondContact N-O 2.96Å; V635-Y659 PolarHBondContact O-N 2.85Å
636F89.9Confident76.9Confident10 Ų1049.5 Ų49.54%0.04428%0.278CS..EExtended strand (participates in β ladder)trans-86.1121.9166-78.3-78.8000109.6L589 D591 A598 W652 S656 L658L589-F636 HydrophobicContact CB-CD2 4.1Å; L589-F636 HydrophobicContact CB-CE2 3.99Å; D591-F636 HydrophobicContact CB-CD1 4.29Å; D591-F636 HydrophobicContact CB-CD2 4.15Å; D591-F636 HydrophobicContact CB-CE1 4.4Å; D591-F636 HydrophobicContact CB-CE2 4.27Å; D591-F636 HydrophobicContact CB-CG 4.15Å; D591-F636 HydrophobicContact CB-CZ 4.39Å; A598-F636 HydrophobicContact CB-CE2 3.73Å; A598-F636 HydrophobicContact CB-CZ 3.68Å; F636-W652 HydrophobicContact CE1-CE3 4.22Å; F636-W652 HydrophobicContact CE1-CZ3 4.01Å; F636-W652 HydrophobicContact CZ-CZ3 4.46Å; F636-S656 WeakPolarHBondContact CD1-OG 3.45Å; F636-L658 HydrophobicContact CD1-CB 4.09Å; F636-L658 HydrophobicContact CD1-CD1 4.08Å; F636-L658 HydrophobicContact CD2-CD1 4.09Å; F636-L658 HydrophobicContact CE1-CB 3.86Å; F636-L658 HydrophobicContact CE1-CD1 3.99Å; F636-L658 HydrophobicContact CE1-CD2 4.47Å; F636-L658 HydrophobicContact CE1-CG 4.33Å; F636-L658 HydrophobicContact CE2-CD1 4Å; F636-L658 HydrophobicContact CG-CD1 4.14Å; F636-L658 HydrophobicContact CZ-CB 4.49Å; F636-L658 HydrophobicContact CZ-CD1 3.95Å; F636-L658 HydrophobicContact CZ-CD2 4.34Å; F636-L658 HydrophobicContact CZ-CG 4.5Å
637A86.9Confident76.1Confident7 Ų753 Ų536%0.05829%0.294CS..EExtended strand (participates in β ladder)trans-103.7135.5172.700000110.3V344 S656 Q657 Y659V344-A637 HydrophobicContact CG1-CB 4.46Å; V344-A637 HydrophobicContact CG2-CB 3.82Å; A637-S656 CarbonylContact O-C 3.47Å; A637-S656 VanDerWaalsContact O-CA 3.26Å; A637-S656 WeakPolarHBondContact O-CA 3.38Å; A637-Q657 PolarHBondContact N-O 2.8Å; A637-Q657 PolarHBondContact O-N 2.9Å; A637-Y659 HydrophobicContact CB-CD2 3.7Å; A637-Y659 HydrophobicContact CB-CE2 3.69Å
638P84.2Confident75.5Confident42 Ų4260.7 Ų60.727%0.27333%0.328SS..EExtended strand (participates in β ladder)trans-68.1137.1176.430.4-34.9000110.7K349 L593K349-P638 HydrophobicContact CG-CG 4.44Å; L593-P638 HydrophobicContact CD1-CB 3.58Å
639R79.4Confident75.1Confident40 Ų4060.1 Ų60.115%0.15133%0.325CS..PPolyproline II helixtrans-77.4149173.7-69-177.8173.9-94.47.6110.4L653 R655 Q657 E675R639-L653 WeakPolarHBondContact CD-O 3.37Å; R639-L653 PolarHBondContact NE-O 3.32Å; R639-R655 PolarHBondContact N-O 3.04Å; R639-Q657 HydrophobicContact CG-CB 4.21Å; R639-E675 IonicContact CZ-OE1 2.74Å; R639-E675 IonicContact NH1-OE1 2.8Å; R639-E675 PolarHBondContact NH1-OE1 3.02Å; R639-E675 IonicContact NH1-OE2 3.72Å; R639-E675 IonicContact NH2-OE1 3.79Å; R639-E675 PolarHBondContact NH2-OE1 2.83Å; R639-E675 IonicContact NH2-OE2 3.91Å; R639-E675 PolarHBondContact NH2-OE2 3.49Å
640E69.3Low74.9Confident109 Ų10959.2 Ų59.251%0.50931%0.314SS..SBendtrans-79.6-39173-53.4-149.5120.200112.4K349 Q366K349-E640 HydrophobicContact CD-CG 3.84Å; K349-E640 WeakPolarHBondContact CD-OE1 3.39Å; K349-E640 VanDerWaalsContact NZ-CG 3.29Å; K349-E640 IonicContact NZ-OE1 2.69Å; K349-E640 PolarHBondContact NZ-OE1 2.85Å; Q366-E640 VanDerWaalsContact NE2-CG 3.28Å; Q366-E640 PolarHBondContact NE2-OE2 2.97Å; Q366-E640 PolarHBondContact OE1-OE2 2.74Å
641V71.4Confident74.7Confident115 Ų11559.2 Ų59.270%0.69732%0.318SS*.SBendtrans-118.5119.7175.9-176.50000107
642A70.9Confident74.6Confident53 Ų5359.5 Ų59.544%0.43832%0.319SS..  trans-67.7143.2176.600000110.2E644 N654A642-E644 PolarHBondContact O-N 3.26Å; A642-N654 VanDerWaalsContact CA-O 3.3Å; A642-N654 WeakPolarHBondContact CA-O 3.35Å
643L70.1Confident74.7Confident20 Ų2058.1 Ų58.111%0.10531%0.309CS..  trans-78.7111.5171.4-68.8165.7000108.7N654L643-N654 PolarHBondContact N-O 2.96Å
644E58.1Low74.4Confident189 Ų18956.9 Ų56.988%0.88331%0.307SS*.  trans-84.2-12.4-178.3-66-177.3164.700113.4A642A642-E644 PolarHBondContact O-N 3.26Å
645S53.8Low74.1Confident80 Ų8064 Ų6456%0.55933%0.332SS*.  trans-126.487.1-174.462.40000111.4
646C55.5Low73.9Confident34 Ų3463 Ų6323%0.2333%0.327CS..  trans-137.4136.1-179-83.10000112.3S650 N654C646-S650 WeakPolarHBondContact CB-OG 3.43Å; C646-S650 PolarHBondContact SG-OG 3.01Å; C646-S650 VanDerWaalsContact SG-OG 3.38Å; C646-N654 WeakPolarHBondContact CB-OD1 3.37Å; C646-N654 PolarHBondContact SG-OD1 3.33Å
647E62.6Low73.7Confident86 Ų8663.1 Ų63.140%0.40233%0.327SS..  trans-57.3157.6168.4-65.1-179.7176.400110.5A5 S649 S650 Q651A5-E647 WeakPolarHBondContact CB-OE1 3.16Å; A5-E647 WeakPolarHBondContact CB-OE2 3.4Å; A5-E647 PolarHBondContact N-OE2 3.39Å; E647-S649 PolarHBondContact O-N 2.78Å; E647-S650 PolarHBondContact N-OG 2.96Å; E647-S650 PolarHBondContact O-N 2.85Å; E647-S650 PolarHBondContact O-OG 2.98Å; E647-Q651 WeakPolarHBondContact O-CG 3.3Å; E647-Q651 PolarHBondContact O-N 3.11Å
648E65.9Low73.8Confident174 Ų17462.8 Ų62.881%0.81333%0.325SS*.THydrogen-bonded Turntrans-52.5-33.2-179.1-69.6-175.1165.100113.4S650E648-S650 PolarHBondContact O-N 3.28Å
649S67.6Low74.1Confident43 Ų4361.5 Ų61.530%0.30131%0.314SS..THydrogen-bonded Turntrans-70.9-24.6179.257.90000114.3E647 W652E647-S649 PolarHBondContact O-N 2.78Å; S649-W652 PolarHBondContact O-NE1 2.86Å; S649-W652 VanDerWaalsContact O-NE1 3.16Å
650S73.9Confident74.6Confident8 Ų859.6 Ų59.66%0.05631%0.307CS..THydrogen-bonded Turntrans-107.1-1.5-17768.80000113.7C646 E647 E648 W652 L653C646-S650 WeakPolarHBondContact CB-OG 3.43Å; C646-S650 PolarHBondContact SG-OG 3.01Å; C646-S650 VanDerWaalsContact SG-OG 3.38Å; E647-S650 PolarHBondContact N-OG 2.96Å; E647-S650 PolarHBondContact O-N 2.85Å; E647-S650 PolarHBondContact O-OG 2.98Å; E648-S650 PolarHBondContact O-N 3.28Å; S650-W652 PolarHBondContact O-N 2.95Å; S650-W652 VanDerWaalsContact O-N 3.1Å; S650-L653 PolarHBondContact O-N 2.94Å
651Q76.9Confident75.4Confident109 Ų10954.4 Ų54.451%0.50928%0.283SS..G310 helixtrans-56.2-29.6179.8-73.9-179.94.200113.9E647 L653 N654E647-Q651 WeakPolarHBondContact O-CG 3.3Å; E647-Q651 PolarHBondContact O-N 3.11Å; Q651-L653 PolarHBondContact O-N 2.97Å; Q651-N654 WeakPolarHBondContact O-CB 3.3Å; Q651-N654 VanDerWaalsContact O-CG 3.29Å; Q651-N654 PolarHBondContact O-N 2.93Å
652W81.8Confident75.9Confident10 Ų1049.6 Ų49.64%0.03825%0.254CS..G310 helixtrans-68.6-15.417969.8-88.1000113.3N596 L609 V611 F621 F636 S649 S650 L658 F670N596-W652 WeakPolarHBondContact ND2-CB 3.39Å; L609-W652 HydrophobicContact CD2-CH2 4.16Å; V611-W652 HydrophobicContact CB-CD2 4.43Å; V611-W652 HydrophobicContact CG1-CB 4.2Å; V611-W652 HydrophobicContact CG1-CD2 4.01Å; V611-W652 HydrophobicContact CG1-CE3 4.12Å; V611-W652 HydrophobicContact CG1-CG 4.06Å; V611-W652 HydrophobicContact CG2-CD2 4.06Å; V611-W652 HydrophobicContact CG2-CE3 4.04Å; V611-W652 HydrophobicContact CG2-CH2 4.01Å; V611-W652 HydrophobicContact CG2-CZ2 4.03Å; V611-W652 HydrophobicContact CG2-CZ3 4.01Å; F621-W652 AromaticContact CD1-CZ2 3.82Å; F621-W652 HydrophobicContact CD1-CZ2 3.82Å; F621-W652 AromaticContact CD1-NE1 3.86Å; F621-W652 HydrophobicContact CE1-CZ2 4.04Å; F621-W652 HydrophobicContact CG-CZ2 4.49Å; F621-W652 AromaticContact CG-NE1 3.65Å; F636-W652 HydrophobicContact CE1-CE3 4.22Å; F636-W652 HydrophobicContact CE1-CZ3 4.01Å; F636-W652 HydrophobicContact CZ-CZ3 4.46Å; S649-W652 PolarHBondContact O-NE1 2.86Å; S649-W652 VanDerWaalsContact O-NE1 3.16Å; S650-W652 PolarHBondContact O-N 2.95Å; S650-W652 VanDerWaalsContact O-N 3.1Å; W652-L658 HydrophobicContact CH2-CB 4.33Å; W652-L658 HydrophobicContact CH2-CD2 4.15Å; W652-L658 HydrophobicContact CZ3-CB 3.97Å; W652-L658 HydrophobicContact CZ3-CD2 4.08Å; W652-F670 HydrophobicContact CH2-CD2 4.15Å; W652-F670 HydrophobicContact CH2-CG 4.42Å
653L83.3Confident76Confident2 Ų251.2 Ų51.21%0.0126%0.26CS..G310 helixtrans-94.41.3175-70.7169000113.6I7 R639 S650 Q651 R655 S656 F670I7-L653 HydrophobicContact CD1-CD1 4.43Å; I7-L653 HydrophobicContact CG2-CD1 4.37Å; R639-L653 WeakPolarHBondContact CD-O 3.37Å; R639-L653 PolarHBondContact NE-O 3.32Å; S650-L653 PolarHBondContact O-N 2.94Å; Q651-L653 PolarHBondContact O-N 2.97Å; L653-R655 PolarHBondContact O-N 3.5Å; L653-S656 CarbonylContact C-O 3.54Å; L653-S656 VanDerWaalsContact C-O 3.31Å; L653-S656 VanDerWaalsContact CA-O 3.29Å; L653-S656 WeakPolarHBondContact CA-O 3.23Å; L653-F670 HydrophobicContact CD1-CB 3.92Å; L653-F670 HydrophobicContact CD2-CB 4.45Å
654N81.3Confident76.1Confident36 Ų3656.2 Ų56.219%0.19329%0.286CS..SBendtrans-66.8-40.2-171.8-73.40.3000113.2A642 L643 C646 Q651A642-N654 VanDerWaalsContact CA-O 3.3Å; A642-N654 WeakPolarHBondContact CA-O 3.35Å; L643-N654 PolarHBondContact N-O 2.96Å; C646-N654 WeakPolarHBondContact CB-OD1 3.37Å; C646-N654 PolarHBondContact SG-OD1 3.33Å; Q651-N654 WeakPolarHBondContact O-CB 3.3Å; Q651-N654 VanDerWaalsContact O-CG 3.29Å; Q651-N654 PolarHBondContact O-N 2.93Å
655R82.4Confident76.9Confident156 Ų15647.7 Ų47.759%0.58925%0.246SC*.SBendtrans-102.1-32.5-175-67.1-175175.4-169.6-2.6113.1L593 R639 L653L593-R655 HydrophobicContact CB-CB 4.37Å; L593-R655 PolarHBondContact O-NH1 3.36Å; R639-R655 PolarHBondContact N-O 3.04Å; L653-R655 PolarHBondContact O-N 3.5Å
656S85.9Confident78.1Confident1 Ų145.7 Ų45.71%0.00723%0.229CC..EExtended strand (participates in β ladder)trans-129.7152.4-177.265.30000109.6D591 F636 A637 L653D591-S656 WeakPolarHBondContact OD1-CB 3.36Å; D591-S656 PolarHBondContact OD1-OG 3.04Å; D591-S656 WeakPolarHBondContact OD2-CB 3.05Å; D591-S656 PolarHBondContact OD2-OG 2.88Å; F636-S656 WeakPolarHBondContact CD1-OG 3.45Å; A637-S656 CarbonylContact O-C 3.47Å; A637-S656 VanDerWaalsContact O-CA 3.26Å; A637-S656 WeakPolarHBondContact O-CA 3.38Å; L653-S656 CarbonylContact C-O 3.54Å; L653-S656 VanDerWaalsContact C-O 3.31Å; L653-S656 VanDerWaalsContact CA-O 3.29Å; L653-S656 WeakPolarHBondContact CA-O 3.23Å
657Q86.6Confident79.6Confident12 Ų1244.1 Ų44.16%0.05622%0.219CC..EExtended strand (participates in β ladder)trans-116.8131.5174.8-174.8163.12.300108.5A637 R639 Y659 T669A637-Q657 PolarHBondContact N-O 2.8Å; A637-Q657 PolarHBondContact O-N 2.9Å; R639-Q657 HydrophobicContact CG-CB 4.21Å; Q657-Y659 HydrophobicContact CB-CD2 4.42Å; Q657-Y659 HydrophobicContact CB-CE2 3.74Å; Q657-Y659 VanDerWaalsContact CD-OH 3.24Å; Q657-Y659 HydrophobicContact CG-CD2 4.28Å; Q657-Y659 HydrophobicContact CG-CE1 4.43Å; Q657-Y659 HydrophobicContact CG-CE2 3.62Å; Q657-Y659 WeakPolarHBondContact O-CD2 3.48Å; Q657-Y659 PolarHBondContact OE1-OH 2.82Å; Q657-Y659 VanDerWaalsContact OE1-OH 3.13Å; Q657-T669 VanDerWaalsContact CG-OG1 3.23Å; Q657-T669 WeakPolarHBondContact CG-OG1 3.31Å; Q657-T669 PolarHBondContact NE2-OG1 3.05Å
658L89.9Confident80.7Confident0 Ų041 Ų410%021%0.205CC..EExtended strand (participates in β ladder)trans-87.7120.9178.8-176.861000109.3L589 A598 F600 L609 F636 W652 T669 F670L589-L658 HydrophobicContact CD1-CD1 4.13Å; A598-L658 HydrophobicContact CB-CD2 4.16Å; F600-L658 HydrophobicContact CE2-CD2 4.31Å; F600-L658 HydrophobicContact CZ-CD2 3.91Å; F600-L658 HydrophobicContact CZ-CG 4.4Å; L609-L658 HydrophobicContact CD1-CD2 4.08Å; L609-L658 HydrophobicContact CD2-CD2 3.91Å; F636-L658 HydrophobicContact CD1-CB 4.09Å; F636-L658 HydrophobicContact CD1-CD1 4.08Å; F636-L658 HydrophobicContact CD2-CD1 4.09Å; F636-L658 HydrophobicContact CE1-CB 3.86Å; F636-L658 HydrophobicContact CE1-CD1 3.99Å; F636-L658 HydrophobicContact CE1-CD2 4.47Å; F636-L658 HydrophobicContact CE1-CG 4.33Å; F636-L658 HydrophobicContact CE2-CD1 4Å; F636-L658 HydrophobicContact CG-CD1 4.14Å; F636-L658 HydrophobicContact CZ-CB 4.49Å; F636-L658 HydrophobicContact CZ-CD1 3.95Å; F636-L658 HydrophobicContact CZ-CD2 4.34Å; F636-L658 HydrophobicContact CZ-CG 4.5Å; W652-L658 HydrophobicContact CH2-CB 4.33Å; W652-L658 HydrophobicContact CH2-CD2 4.15Å; W652-L658 HydrophobicContact CZ3-CB 3.97Å; W652-L658 HydrophobicContact CZ3-CD2 4.08Å; L658-T669 PolarHBondContact O-OG1 2.91Å; L658-F670 HydrophobicContact CB-CD2 4.21Å; L658-F670 HydrophobicContact CD2-CD2 4.32Å; L658-F670 HydrophobicContact CD2-CE2 3.88Å; L658-F670 HydrophobicContact CG-CD2 4.48Å; L658-F670 HydrophobicContact CG-CE2 4.28Å
659Y89.6Confident81.7Confident14 Ų1432.7 Ų32.76%0.05517%0.166CC..EExtended strand (participates in β ladder)trans-111.9138.4174.7-69.2-82000109.5L365 A634 V635 A637 Q657 L667 T669L365-Y659 HydrophobicContact CD1-CD1 4.16Å; L365-Y659 HydrophobicContact CD1-CD2 3.83Å; L365-Y659 HydrophobicContact CD1-CE1 3.83Å; L365-Y659 HydrophobicContact CD1-CE2 3.47Å; L365-Y659 VanDerWaalsContact CD1-CE2 3.47Å; L365-Y659 HydrophobicContact CD1-CG 4.14Å; L365-Y659 VanDerWaalsContact CD1-CZ 3.46Å; L365-Y659 HydrophobicContact CD2-CE1 4.3Å; L365-Y659 HydrophobicContact CG-CE1 4.49Å; A634-Y659 CarbonylContact C-O 3.56Å; A634-Y659 WeakPolarHBondContact CA-O 3.38Å; A634-Y659 WeakPolarHBondContact CB-O 3.4Å; V635-Y659 PolarHBondContact N-O 2.96Å; V635-Y659 PolarHBondContact O-N 2.85Å; A637-Y659 HydrophobicContact CB-CD2 3.7Å; A637-Y659 HydrophobicContact CB-CE2 3.69Å; Q657-Y659 HydrophobicContact CB-CD2 4.42Å; Q657-Y659 HydrophobicContact CB-CE2 3.74Å; Q657-Y659 VanDerWaalsContact CD-OH 3.24Å; Q657-Y659 HydrophobicContact CG-CD2 4.28Å; Q657-Y659 HydrophobicContact CG-CE1 4.43Å; Q657-Y659 HydrophobicContact CG-CE2 3.62Å; Q657-Y659 WeakPolarHBondContact O-CD2 3.48Å; Q657-Y659 PolarHBondContact OE1-OH 2.82Å; Q657-Y659 VanDerWaalsContact OE1-OH 3.13Å; Y659-L667 HydrophobicContact CD1-CD1 4.33Å; Y659-L667 HydrophobicContact CD1-CD2 4.41Å; Y659-L667 HydrophobicContact CD1-CG 4.34Å; Y659-T669 HydrophobicContact CE1-CG2 4.3Å
660F89.6Confident82.6Confident0 Ų030.7 Ų30.70%015%0.152CC..EExtended strand (participates in β ladder)trans-143.8150.5177.864.8-82.6000111.8V9 F600 V626 C627 V631 R633 A634 L668 F670V9-F660 HydrophobicContact CG1-CE1 4.44Å; V9-F660 HydrophobicContact CG1-CZ 3.82Å; F600-F660 HydrophobicContact CE1-CG 4.34Å; F600-F660 HydrophobicContact CZ-CB 4.01Å; F600-F660 HydrophobicContact CZ-CD1 4.33Å; F600-F660 HydrophobicContact CZ-CG 4.18Å; V626-F660 HydrophobicContact CG1-CE1 4.03Å; V626-F660 HydrophobicContact CG1-CE2 3.71Å; V626-F660 HydrophobicContact CG1-CZ 3.26Å; C627-F660 HydrophobicContact CB-CE2 4.5Å; V631-F660 HydrophobicContact CG1-CB 3.87Å; V631-F660 HydrophobicContact CG1-CD2 4.18Å; V631-F660 HydrophobicContact CG1-CG 4.46Å; V631-F660 HydrophobicContact CG2-CD2 3.87Å; V631-F660 HydrophobicContact CG2-CE2 4.36Å; R633-F660 WeakPolarHBondContact O-CA 3.39Å; A634-F660 HydrophobicContact CB-CB 3.6Å; F660-L668 HydrophobicContact CD1-CB 4.24Å; F660-L668 HydrophobicContact CD2-CB 4.1Å; F660-L668 HydrophobicContact CD2-CD1 4.36Å; F660-L668 HydrophobicContact CE1-CB 3.73Å; F660-L668 HydrophobicContact CE2-CB 3.6Å; F660-L668 HydrophobicContact CE2-CD1 3.51Å; F660-L668 HydrophobicContact CE2-CG 4.14Å; F660-L668 HydrophobicContact CG-CB 4.4Å; F660-L668 HydrophobicContact CZ-CB 3.37Å; F660-L668 HydrophobicContact CZ-CD1 3.85Å; F660-L668 HydrophobicContact CZ-CG 4.26Å; F660-L668 PolarHBondContact N-O 2.87Å; F660-L668 PolarHBondContact O-N 3.13Å; F660-F670 AromaticContact CD1-CE2 3.81Å; F660-F670 HydrophobicContact CD1-CE2 3.81Å; F660-F670 HydrophobicContact CD1-CZ 4.37Å; F660-F670 HydrophobicContact CE1-CD2 4.1Å; F660-F670 AromaticContact CE1-CE2 3.38Å; F660-F670 HydrophobicContact CE1-CE2 3.38Å; F660-F670 AromaticContact CE1-CZ 3.62Å; F660-F670 HydrophobicContact CE1-CZ 3.62Å; F660-F670 HydrophobicContact CZ-CE2 4.36Å; F660-F670 HydrophobicContact CZ-CZ 4.18Å
661L86.3Confident82.8Confident1 Ų130.6 Ų30.61%0.00515%0.151CC..EExtended strand (participates in β ladder)trans-108.3136.9-178.2-71.5169.9000110.5L342 S632 R633 M665 D666 L667L342-L661 HydrophobicContact CD1-CD1 3.87Å; L342-L661 HydrophobicContact CD2-CD1 4.08Å; L342-L661 HydrophobicContact CD2-CG 4.23Å; S632-L661 PolarHBondContact N-O 3.35Å; S632-L661 PolarHBondContact OG-O 2.89Å; S632-L661 VanDerWaalsContact OG-O 3.04Å; R633-L661 PolarHBondContact O-N 3.3Å; L661-M665 HydrophobicContact CD1-CE 4.12Å; L661-M665 HydrophobicContact CD1-SD 4.24Å; L661-D666 WeakPolarHBondContact CA-O 3.49Å; L661-L667 HydrophobicContact CD2-CB 3.98Å; L661-L667 HydrophobicContact CD2-CD1 3.77Å; L661-L667 HydrophobicContact CG-CD1 4.18Å
662T81.9Confident82.9Confident14 Ų1426.5 Ų26.59%0.08613%0.133CC..  trans-78.1167.6167.166.80000110.4S632 L664 M665 D666 L668S632-T662 PolarHBondContact OG-O 2.76Å; T662-L664 PolarHBondContact O-N 2.89Å; T662-L664 PolarHBondContact OG1-N 3.1Å; T662-M665 PolarHBondContact O-N 2.9Å; T662-D666 HydrophobicContact CG2-CB 4.37Å; T662-D666 PolarHBondContact N-O 3.44Å; T662-D666 VanDerWaalsContact N-O 3.14Å; T662-D666 WeakPolarHBondContact OG1-CB 3.42Å; T662-D666 PolarHBondContact OG1-N 3.48Å; T662-D666 VanDerWaalsContact OG1-N 3.12Å; T662-L668 HydrophobicContact CG2-CD1 3.61Å; T662-L668 HydrophobicContact CG2-CG 4.31Å
663P74.3Confident82.4Confident86 Ų8632.2 Ų32.256%0.55816%0.155SC*.THydrogen-bonded Turntrans-58.1-25.1169.7-25.436.2000113.3R630 M665R630-P663 VanDerWaalsContact O-CD 3.3Å; R630-P663 WeakPolarHBondContact O-CD 3.33Å; R630-P663 VanDerWaalsContact O-CG 3.22Å; R630-P663 WeakPolarHBondContact O-CG 3.37Å; P663-M665 PolarHBondContact O-N 2.87Å
664L71.5Confident81.5Confident126 Ų12634.9 Ų34.966%0.6618%0.177SC*.THydrogen-bonded Turntrans-84.77.7176.8-61.6176.5000113.1K334 T662 D666K334-L664 WeakPolarHBondContact CD-O 3.28Å; K334-L664 WeakPolarHBondContact CE-O 3.47Å; K334-L664 PolarHBondContact NZ-O 2.9Å; T662-L664 PolarHBondContact O-N 2.89Å; T662-L664 PolarHBondContact OG1-N 3.1Å; L664-D666 VanDerWaalsContact C-N 3.28Å; L664-D666 PolarHBondContact O-N 3.29Å
665M75.2Confident80.8Confident10 Ų1034.2 Ų34.25%0.04917%0.173CC..  trans61.333.4-179-65.5-66.4-66.500113.8K334 V338 L353 L661 T662 P663K334-M665 HydrophobicContact CB-CB 4.15Å; K334-M665 HydrophobicContact CB-CG 4.42Å; K334-M665 HydrophobicContact CD-CB 3.88Å; K334-M665 HydrophobicContact CG-CB 3.68Å; K334-M665 HydrophobicContact CG-CG 4.48Å; V338-M665 HydrophobicContact CB-SD 4.1Å; V338-M665 HydrophobicContact CG2-CE 3.51Å; V338-M665 HydrophobicContact CG2-CG 4.32Å; V338-M665 HydrophobicContact CG2-SD 3.38Å; V338-M665 WeakPolarHBondContact CG2-SD 3.45Å; L353-M665 HydrophobicContact CD1-CE 3.47Å; L353-M665 VanDerWaalsContact CD1-CE 3.47Å; L661-M665 HydrophobicContact CD1-CE 4.12Å; L661-M665 HydrophobicContact CD1-SD 4.24Å; T662-M665 PolarHBondContact O-N 2.9Å; P663-M665 PolarHBondContact O-N 2.87Å
666D78.8Confident80.1Confident37 Ų3729.2 Ų29.220%0.19816%0.157CC..  trans-89.1129.2169.8-56.8-37.6000109H11 K334 L661 T662 L664H11-D666 IonicContact NE2-OD1 3.19Å; K334-D666 IonicContact NZ-OD1 3.52Å; K334-D666 PolarHBondContact NZ-OD1 3.07Å; L661-D666 WeakPolarHBondContact CA-O 3.49Å; T662-D666 HydrophobicContact CG2-CB 4.37Å; T662-D666 PolarHBondContact N-O 3.44Å; T662-D666 VanDerWaalsContact N-O 3.14Å; T662-D666 WeakPolarHBondContact OG1-CB 3.42Å; T662-D666 PolarHBondContact OG1-N 3.48Å; T662-D666 VanDerWaalsContact OG1-N 3.12Å; L664-D666 VanDerWaalsContact C-N 3.28Å; L664-D666 PolarHBondContact O-N 3.29Å
667L85.7Confident78.9Confident1 Ų135.9 Ų35.91%0.00519%0.187CC..EExtended strand (participates in β ladder)trans-92.8111.6-177.4-175.570.3000109.9Q12 G13 L332 L351 L365 Y659 L661Q12-L667 PolarHBondContact N-O 3.4Å; G13-L667 PolarHBondContact N-O 3.41Å; G13-L667 WeakPolarHBondContact O-CB 3.34Å; G13-L667 PolarHBondContact O-N 2.83Å; L332-L667 HydrophobicContact CD2-CB 4.48Å; L351-L667 HydrophobicContact CD2-CD1 3.86Å; L351-L667 HydrophobicContact CD2-CD2 4Å; L365-L667 HydrophobicContact CD2-CD2 3.3Å; Y659-L667 HydrophobicContact CD1-CD1 4.33Å; Y659-L667 HydrophobicContact CD1-CD2 4.41Å; Y659-L667 HydrophobicContact CD1-CG 4.34Å; L661-L667 HydrophobicContact CD2-CB 3.98Å; L661-L667 HydrophobicContact CD2-CD1 3.77Å; L661-L667 HydrophobicContact CG-CD1 4.18Å
668L85.9Confident77.9Confident21 Ų2142.4 Ų42.411%0.1121%0.211CC..EExtended strand (participates in β ladder)trans-110.5148.9-177.8-58.5177.8000110.3V9 V10 H11 C627 F660 T662V9-L668 HydrophobicContact CG1-CB 4.05Å; V9-L668 HydrophobicContact CG1-CD1 4.2Å; V9-L668 HydrophobicContact CG1-CD2 4.46Å; V9-L668 HydrophobicContact CG1-CG 4.46Å; V10-L668 WeakPolarHBondContact O-CA 3.36Å; H11-L668 HydrophobicContact CB-CD2 3.74Å; C627-L668 HydrophobicContact CB-CD1 4.49Å; F660-L668 HydrophobicContact CD1-CB 4.24Å; F660-L668 HydrophobicContact CD2-CB 4.1Å; F660-L668 HydrophobicContact CD2-CD1 4.36Å; F660-L668 HydrophobicContact CE1-CB 3.73Å; F660-L668 HydrophobicContact CE2-CB 3.6Å; F660-L668 HydrophobicContact CE2-CD1 3.51Å; F660-L668 HydrophobicContact CE2-CG 4.14Å; F660-L668 HydrophobicContact CG-CB 4.4Å; F660-L668 HydrophobicContact CZ-CB 3.37Å; F660-L668 HydrophobicContact CZ-CD1 3.85Å; F660-L668 HydrophobicContact CZ-CG 4.26Å; F660-L668 PolarHBondContact N-O 2.87Å; F660-L668 PolarHBondContact O-N 3.13Å; T662-L668 HydrophobicContact CG2-CD1 3.61Å; T662-L668 HydrophobicContact CG2-CG 4.31Å
669T87.3Confident76.6Confident0 Ų046.8 Ų46.80%024%0.235CC..EExtended strand (participates in β ladder)trans-142.4169.7174.3-163.70000111V9 V10 Q12 Q657 L658 Y659V9-T669 CarbonylContact C-O 3.49Å; V9-T669 WeakPolarHBondContact CA-O 3.36Å; V10-T669 PolarHBondContact N-O 2.73Å; V10-T669 PolarHBondContact O-N 3.46Å; Q12-T669 HydrophobicContact CG-CG2 3.71Å; Q657-T669 VanDerWaalsContact CG-OG1 3.23Å; Q657-T669 WeakPolarHBondContact CG-OG1 3.31Å; Q657-T669 PolarHBondContact NE2-OG1 3.05Å; L658-T669 PolarHBondContact O-OG1 2.91Å; Y659-T669 HydrophobicContact CE1-CG2 4.3Å
670F85.8Confident75.1Confident0 Ų050 Ų500%025%0.251CS..EExtended strand (participates in β ladder)trans-100.5122.9174.2-61.1-86000109.3I7 R8 V9 L609 Q623 V626 W652 L653 L658 F660I7-F670 HydrophobicContact CG2-CB 3.82Å; I7-F670 HydrophobicContact CG2-CD1 4Å; I7-F670 HydrophobicContact CG2-CG 4.35Å; R8-F670 WeakPolarHBondContact O-CA 2.78Å; V9-F670 HydrophobicContact CG2-CD1 4.02Å; V9-F670 HydrophobicContact CG2-CE1 3.66Å; V9-F670 HydrophobicContact CG2-CZ 4.45Å; L609-F670 HydrophobicContact CD2-CD2 4.44Å; L609-F670 HydrophobicContact CD2-CE1 4.01Å; L609-F670 HydrophobicContact CD2-CE2 3.58Å; L609-F670 HydrophobicContact CD2-CZ 3.32Å; Q623-F670 VanDerWaalsContact OE1-CE1 3.27Å; V626-F670 HydrophobicContact CG1-CE1 4.03Å; V626-F670 HydrophobicContact CG1-CZ 3.68Å; V626-F670 HydrophobicContact CG2-CE1 4.35Å; V626-F670 HydrophobicContact CG2-CZ 4.28Å; W652-F670 HydrophobicContact CH2-CD2 4.15Å; W652-F670 HydrophobicContact CH2-CG 4.42Å; L653-F670 HydrophobicContact CD1-CB 3.92Å; L653-F670 HydrophobicContact CD2-CB 4.45Å; L658-F670 HydrophobicContact CB-CD2 4.21Å; L658-F670 HydrophobicContact CD2-CD2 4.32Å; L658-F670 HydrophobicContact CD2-CE2 3.88Å; L658-F670 HydrophobicContact CG-CD2 4.48Å; L658-F670 HydrophobicContact CG-CE2 4.28Å; F660-F670 AromaticContact CD1-CE2 3.81Å; F660-F670 HydrophobicContact CD1-CE2 3.81Å; F660-F670 HydrophobicContact CD1-CZ 4.37Å; F660-F670 HydrophobicContact CE1-CD2 4.1Å; F660-F670 AromaticContact CE1-CE2 3.38Å; F660-F670 HydrophobicContact CE1-CE2 3.38Å; F660-F670 AromaticContact CE1-CZ 3.62Å; F660-F670 HydrophobicContact CE1-CZ 3.62Å; F660-F670 HydrophobicContact CZ-CE2 4.36Å; F660-F670 HydrophobicContact CZ-CZ 4.18Å
671S79.4Confident73.5Confident6 Ų653.7 Ų53.74%0.04227%0.274CS..EExtended strand (participates in β ladder)trans-118.6158.2176.262.80000111.2R8 V10 E676R8-S671 PolarHBondContact N-O 3.17Å; R8-S671 PolarHBondContact O-N 3.2Å; V10-S671 WeakPolarHBondContact CG2-OG 3.46Å; S671-E676 PolarHBondContact OG-OE1 2.88Å
672T79.4Confident72Confident23 Ų2355.9 Ų55.914%0.14129%0.292CS..  trans-103.6153.7166.163.30000109.7A674 E675 E676T672-A674 VanDerWaalsContact C-N 3.27Å; T672-A674 PolarHBondContact O-N 3.37Å; T672-E675 WeakPolarHBondContact O-CB 3.48Å; T672-E675 PolarHBondContact O-N 3.1Å; T672-E676 PolarHBondContact O-N 2.8Å
673R69.6Low70.7Confident131 Ų13156.8 Ų56.849%0.49430%0.299SS..Hα-helixtrans-56.9-39179.4-68.1-172.6-174.6174.95.6113E6 E675 E676 E677E6-R673 IonicContact OE2-NH2 3.03Å; R673-E675 VanDerWaalsContact C-N 3.25Å; R673-E675 PolarHBondContact O-N 2.88Å; R673-E676 PolarHBondContact O-N 2.57Å; R673-E677 PolarHBondContact O-N 2.96Å
674A64.1Low69.5Low58 Ų5858.7 Ų58.748%0.47930%0.298SS..Hα-helixtrans-63.8-30.3177.800000113T672 R678T672-A674 VanDerWaalsContact C-N 3.27Å; T672-A674 PolarHBondContact O-N 3.37Å; A674-R678 PolarHBondContact O-N 2.99Å
675E68.1Low68.3Low21 Ų2158.8 Ų58.810%0.09830%0.295CS..Hα-helixtrans-73.3-40.1176.4-173.7175.1-172.400111.5R639 T672 R673 E677 R678 L679R639-E675 IonicContact CZ-OE1 2.74Å; R639-E675 IonicContact NH1-OE1 2.8Å; R639-E675 PolarHBondContact NH1-OE1 3.02Å; R639-E675 IonicContact NH1-OE2 3.72Å; R639-E675 IonicContact NH2-OE1 3.79Å; R639-E675 PolarHBondContact NH2-OE1 2.83Å; R639-E675 IonicContact NH2-OE2 3.91Å; R639-E675 PolarHBondContact NH2-OE2 3.49Å; T672-E675 WeakPolarHBondContact O-CB 3.48Å; T672-E675 PolarHBondContact O-N 3.1Å; R673-E675 VanDerWaalsContact C-N 3.25Å; R673-E675 PolarHBondContact O-N 2.88Å; E675-E677 VanDerWaalsContact C-N 3.31Å; E675-E677 PolarHBondContact O-N 2.88Å; E675-R678 PolarHBondContact O-N 3.31Å; E675-L679 HydrophobicContact CG-CD1 4.19Å; E675-L679 WeakPolarHBondContact O-CG 3.44Å; E675-L679 PolarHBondContact O-N 3.48Å
676E66.6Low67.1Low52 Ų5263 Ų6324%0.24332%0.318CS..Hα-helixtrans-60-42.2175.4-70173.2-163.800111.6V10 S671 T672 R673 L679 M680V10-E676 VanDerWaalsContact CG2-OE1 3.29Å; V10-E676 WeakPolarHBondContact CG2-OE1 3.43Å; S671-E676 PolarHBondContact OG-OE1 2.88Å; T672-E676 PolarHBondContact O-N 2.8Å; R673-E676 PolarHBondContact O-N 2.57Å; E676-L679 PolarHBondContact O-N 3.28Å; E676-M680 WeakPolarHBondContact O-CB 3.39Å; E676-M680 WeakPolarHBondContact O-CG 3.39Å; E676-M680 PolarHBondContact O-N 3.39Å
677E61.5Low65.4Low140 Ų14062.3 Ų62.365%0.65431%0.314SS*.Hα-helixtrans-65.5-38.7177-70179.1176.700112.7R673 E675 T681R673-E677 PolarHBondContact O-N 2.96Å; E675-E677 VanDerWaalsContact C-N 3.31Å; E675-E677 PolarHBondContact O-N 2.88Å; E677-T681 PolarHBondContact O-N 3.4Å; E677-T681 VanDerWaalsContact O-N 3.14Å; E677-T681 PolarHBondContact O-OG1 2.8Å
678R65.1Low63.3Low149 Ų14966 Ų6656%0.56234%0.337SS*.Hα-helixtrans-65.7-45.4174.3-77.2-175.1-173176.23.8112.1A674 E675 M680 T681 A682A674-R678 PolarHBondContact O-N 2.99Å; E675-R678 PolarHBondContact O-N 3.31Å; R678-M680 VanDerWaalsContact C-N 3.33Å; R678-M680 PolarHBondContact O-N 3.41Å; R678-T681 WeakPolarHBondContact O-CB 3.47Å; R678-T681 PolarHBondContact O-N 2.74Å; R678-A682 PolarHBondContact O-N 3.36Å
679L62.1Low61.3Low93 Ų9371.7 Ų71.749%0.48737%0.367SS..Hα-helixtrans-61.8-41.5178.4-73170000111.5E675 E676 T681 A682 S683E675-L679 HydrophobicContact CG-CD1 4.19Å; E675-L679 WeakPolarHBondContact O-CG 3.44Å; E675-L679 PolarHBondContact O-N 3.48Å; E676-L679 PolarHBondContact O-N 3.28Å; L679-T681 PolarHBondContact O-N 3.47Å; L679-A682 PolarHBondContact O-N 3.24Å; L679-S683 PolarHBondContact O-N 2.93Å; L679-S683 PolarHBondContact O-OG 3.39Å
680M59.1Low59.3Low81 Ų8177.7 Ų77.740%0.39940%0.399SS..Hα-helixtrans-65.3-23.4174.4-68.4-70.9-81.100113.2E676 R678 S683 K684E676-M680 WeakPolarHBondContact O-CB 3.39Å; E676-M680 WeakPolarHBondContact O-CG 3.39Å; E676-M680 PolarHBondContact O-N 3.39Å; R678-M680 VanDerWaalsContact C-N 3.33Å; R678-M680 PolarHBondContact O-N 3.41Å; M680-S683 PolarHBondContact O-OG 3.35Å; M680-S683 VanDerWaalsContact O-OG 3.11Å; M680-K684 WeakPolarHBondContact O-CD 3.26Å; M680-K684 VanDerWaalsContact O-CG 3.31Å; M680-K684 WeakPolarHBondContact O-CG 3.47Å
681T56Low57.3Low78 Ų7881 Ų8148%0.47942%0.422SS..Hα-helixtrans-85-36.5176.5-53.70000111.4E677 R678 L679 K684 Q685E677-T681 PolarHBondContact O-N 3.4Å; E677-T681 VanDerWaalsContact O-N 3.14Å; E677-T681 PolarHBondContact O-OG1 2.8Å; R678-T681 WeakPolarHBondContact O-CB 3.47Å; R678-T681 PolarHBondContact O-N 2.74Å; L679-T681 PolarHBondContact O-N 3.47Å; T681-K684 PolarHBondContact O-N 2.89Å; T681-Q685 PolarHBondContact O-N 3.43Å
682A55.5Low55.4Low47 Ų4784 Ų8439%0.38844%0.44SS..Hα-helixtrans-67.5-40.4175.700000112.4R678 L679 K684 Q685 L686R678-A682 PolarHBondContact O-N 3.36Å; L679-A682 PolarHBondContact O-N 3.24Å; A682-K684 VanDerWaalsContact C-N 3.27Å; A682-K684 PolarHBondContact O-N 3.09Å; A682-Q685 WeakPolarHBondContact O-CB 3.43Å; A682-Q685 PolarHBondContact O-N 2.8Å; A682-L686 PolarHBondContact O-N 3.27Å
683S53.4Low53.5Low32 Ų3286.8 Ų86.822%0.22447%0.466CS..Hα-helixtrans-60.9-36.817459.80000112.2L679 M680 Q685 L686 V687L679-S683 PolarHBondContact O-N 2.93Å; L679-S683 PolarHBondContact O-OG 3.39Å; M680-S683 PolarHBondContact O-OG 3.35Å; M680-S683 VanDerWaalsContact O-OG 3.11Å; S683-Q685 VanDerWaalsContact C-N 3.31Å; S683-Q685 PolarHBondContact O-N 3.08Å; S683-L686 PolarHBondContact O-N 3.47Å; S683-V687 WeakPolarHBondContact O-CG2 3.47Å
684K49.7Very low52.1Low126 Ų12686.6 Ų86.655%0.54847%0.472SS..Hα-helixtrans-65.7-29.9173.4-70.9174.2-177-178.50113.2M680 T681 A682 V688M680-K684 WeakPolarHBondContact O-CD 3.26Å; M680-K684 VanDerWaalsContact O-CG 3.31Å; M680-K684 WeakPolarHBondContact O-CG 3.47Å; T681-K684 PolarHBondContact O-N 2.89Å; A682-K684 VanDerWaalsContact C-N 3.27Å; A682-K684 PolarHBondContact O-N 3.09Å; K684-V688 WeakPolarHBondContact O-CG2 3.42Å
685Q45.8Very low51.4Low129 Ų12987.1 Ų87.160%0.60347%0.47SS*.Hα-helixtrans-73.1-39.7178.6-73.8177.9-9.300112.3T681 A682 S683 V687 V688 D689T681-Q685 PolarHBondContact O-N 3.43Å; A682-Q685 WeakPolarHBondContact O-CB 3.43Å; A682-Q685 PolarHBondContact O-N 2.8Å; S683-Q685 VanDerWaalsContact C-N 3.31Å; S683-Q685 PolarHBondContact O-N 3.08Å; Q685-V687 PolarHBondContact O-N 2.77Å; Q685-V688 PolarHBondContact O-N 3.41Å; Q685-D689 PolarHBondContact O-N 3.21Å
686L49.5Very low50.2Low98 Ų9889.3 Ų89.351%0.51349%0.486SS..Hα-helixtrans-56.5-31.8174.3-78.5155.2000112.3A682 S683A682-L686 PolarHBondContact O-N 3.27Å; S683-L686 PolarHBondContact O-N 3.47Å
687V43.8Very low49.3Very low22 Ų2289.5 Ų89.513%0.13349%0.486CS..Hα-helixtrans-71.8-35.5176.6-176.70000112.3V50 Q51 S683 Q685 D689 S691V50-V687 HydrophobicContact CG1-CG2 3.47Å; V50-V687 VanDerWaalsContact CG1-CG2 3.47Å; Q51-V687 HydrophobicContact CG-CG2 4.49Å; S683-V687 WeakPolarHBondContact O-CG2 3.47Å; Q685-V687 PolarHBondContact O-N 2.77Å; V687-D689 PolarHBondContact O-N 2.76Å; V687-S691 WeakPolarHBondContact O-CB 3.2Å; V687-S691 PolarHBondContact O-N 2.61Å; V687-S691 PolarHBondContact O-OG 3.07Å
688V42.3Very low48.6Very low79 Ų7985.6 Ų85.648%0.47947%0.468SS..Hα-helixtrans-74-28.7-173.5175.90000112.1K684 Q685K684-V688 WeakPolarHBondContact O-CG2 3.42Å; Q685-V688 PolarHBondContact O-N 3.41Å
689D44.2Very low47.9Very low140 Ų14083.6 Ų83.675%0.74947%0.468SS*.Hα-helixtrans-75.3-28179.1-78.4-15.7000112.9Q685 V687Q685-D689 PolarHBondContact O-N 3.21Å; V687-D689 PolarHBondContact O-N 2.76Å
690D44.4Very low47.2Very low126 Ų12682.3 Ų82.367%0.67446%0.461SS*.Hα-helixtrans-112.2-20-175.1-82.8-10.3000115.4
691S44.7Very low46.6Very low69 Ų6983.3 Ų83.348%0.48347%0.467SS..Hα-helixtrans-88.7-17.2-172.266.50000115.6V687V687-S691 WeakPolarHBondContact O-CB 3.2Å; V687-S691 PolarHBondContact O-N 2.61Å; V687-S691 PolarHBondContact O-OG 3.07Å
692V38.4Very low45.9Very low69 Ų6982.5 Ų82.542%0.41847%0.474SS..SBendtrans-99.6118.8-178.3-168.90000109.1M694V692-M694 PolarHBondContact O-N 2.79Å
693A39.8Very low45.2Very low83 Ų8388.9 Ų88.969%0.68649%0.493SS*.  trans-51115.7165.500000108.1T695A693-T695 VanDerWaalsContact C-N 3.33Å; A693-T695 WeakPolarHBondContact O-CG2 3.44Å; A693-T695 PolarHBondContact O-N 3.21Å
694M40Very low44.3Very low126 Ų12694 Ų9462%0.62151%0.507SS*.  trans-55.194-177.9-81-74.2-80.400110.2V692 L699V692-M694 PolarHBondContact O-N 2.79Å; M694-L699 HydrophobicContact CE-CD1 4.08Å; M694-L699 HydrophobicContact CE-CD2 3.76Å; M694-L699 HydrophobicContact CE-CG 3.67Å
695T48.8Very low43.2Very low69 Ų6998.5 Ų98.542%0.42352%0.521SS..  trans-80.8146173.259.20000108.4A693 F697 Q698A693-T695 VanDerWaalsContact C-N 3.33Å; A693-T695 WeakPolarHBondContact O-CG2 3.44Å; A693-T695 PolarHBondContact O-N 3.21Å; T695-F697 PolarHBondContact O-N 3.13Å; T695-Q698 WeakPolarHBondContact O-CB 3.39Å; T695-Q698 PolarHBondContact O-N 2.91Å
696P43.5Very low42.4Very low67 Ų6798 Ų9844%0.43553%0.529SS..Hα-helixtrans-53.3-27175.8-26.233.5000113.3L700P696-L700 PolarHBondContact O-N 2.84Å
697F47.9Very low41.3Very low57 Ų57100.5 Ų100.525%0.2554%0.538CS..Hα-helixtrans-69.7-34.7175.1-84.5-88.7000113.9T695 L700 L701 L736 L744 L750T695-F697 PolarHBondContact O-N 3.13Å; F697-L700 PolarHBondContact O-N 2.9Å; F697-L700 VanDerWaalsContact O-N 3.15Å; F697-L701 WeakPolarHBondContact O-CB 3.29Å; F697-L701 PolarHBondContact O-N 2.69Å; F697-L736 HydrophobicContact CD1-CD1 4.36Å; F697-L736 HydrophobicContact CE1-CD1 3.34Å; F697-L736 HydrophobicContact CE1-CG 4.33Å; F697-L736 HydrophobicContact CE2-CD1 4.35Å; F697-L736 HydrophobicContact CZ-CD1 3.34Å; F697-L736 HydrophobicContact CZ-CG 3.93Å; F697-L744 HydrophobicContact CZ-CD2 4.17Å; F697-L750 HydrophobicContact CE1-CD2 4.33Å
698Q47.7Very low40.4Very low58 Ų58108.6 Ų108.627%0.27157%0.574SS.*Hα-helixtrans-69.5-34.5177.6-166.3175.8-0.500111.7T695 L700 G702T695-Q698 WeakPolarHBondContact O-CB 3.39Å; T695-Q698 PolarHBondContact O-N 2.91Å; Q698-L700 PolarHBondContact O-N 2.85Å; Q698-G702 WeakPolarHBondContact O-CA 3.38Å; Q698-G702 PolarHBondContact O-N 2.69Å
699L49.9Very low39.7Very low107 Ų107111.6 Ų111.656%0.5658%0.582SS**Hα-helixtrans-63.8-28.5170.1-84.5161.3000113.1M694M694-L699 HydrophobicContact CE-CD1 4.08Å; M694-L699 HydrophobicContact CE-CD2 3.76Å; M694-L699 HydrophobicContact CE-CG 3.67Å
700L46.7Very low38.9Very low65 Ų65110 Ų11034%0.3459%0.589SS.*Hα-helixtrans-88.7-40-176.4-129.8150.8000111.8P696 F697 Q698 A732 V753P696-L700 PolarHBondContact O-N 2.84Å; F697-L700 PolarHBondContact O-N 2.9Å; F697-L700 VanDerWaalsContact O-N 3.15Å; Q698-L700 PolarHBondContact O-N 2.85Å; L700-A732 HydrophobicContact CD1-CB 4.19Å; L700-V753 HydrophobicContact CD2-CG1 3.46Å; L700-V753 VanDerWaalsContact CD2-CG1 3.46Å
701L46.9Very low38Very low103 Ų103107.9 Ų107.954%0.53959%0.589SS.*Hα-helixtrans-86.4-28179.3-70.6163000113.1F697 K703 R704F697-L701 WeakPolarHBondContact O-CB 3.29Å; F697-L701 PolarHBondContact O-N 2.69Å; L701-K703 PolarHBondContact O-N 3.19Å; L701-K703 VanDerWaalsContact O-N 3.14Å; L701-R704 PolarHBondContact O-N 3.49Å; L701-R704 VanDerWaalsContact O-N 3.1Å
702G40.2Very low37.3Very low60 Ų60111.4 Ų111.462%0.61961%0.607SS**THydrogen-bonded Turntrans-63.6-17.5178.500000114Q698 R704Q698-G702 WeakPolarHBondContact O-CA 3.38Å; Q698-G702 PolarHBondContact O-N 2.69Å; G702-R704 PolarHBondContact O-N 2.96Å
703K42Very low36.8Very low181 Ų181116.5 Ų116.579%0.78763%0.627SS**THydrogen-bonded Turntrans-75.5-4.9174.3-70.4-174.2178.1-178.80114.3L701L701-K703 PolarHBondContact O-N 3.19Å; L701-K703 VanDerWaalsContact O-N 3.14Å
704R34.9Very low36.1Very low139 Ų139119.9 Ų119.953%0.52563%0.633SS.*  trans-126.256.1-177.3-67.5-168.1178.5-148.4-0.9113.3L701 G702 E756L701-R704 PolarHBondContact O-N 3.49Å; L701-R704 VanDerWaalsContact O-N 3.1Å; G702-R704 PolarHBondContact O-N 2.96Å; R704-E756 IonicContact CZ-OE1 3.85Å; R704-E756 IonicContact CZ-OE2 3.81Å; R704-E756 IonicContact NH1-OE1 2.94Å; R704-E756 IonicContact NH2-OE1 3.72Å; R704-E756 PolarHBondContact NH2-OE1 2.85Å; R704-E756 IonicContact NH2-OE2 3.46Å; R704-E756 PolarHBondContact NH2-OE2 2.94Å
705R25.6Very low35.5Very low222 Ų222119.9 Ų119.984%0.83864%0.642SS**SBendtrans-109123146.2-76.6-175.5177.8178.80.3107.4H707R705-H707 PolarHBondContact O-N 2.87Å
706P30.2Very low34.4Very low119 Ų119120.9 Ų120.977%0.77366%0.658SS**  trans-62.7117.3175.325-29.2000108H708P706-H708 VanDerWaalsContact C-N 3.26Å; P706-H708 PolarHBondContact O-N 2.92Å
707H26.4Very low33.7Very low150 Ų150124.5 Ų124.569%0.69468%0.678SS**  trans-56.794.9157.1-109.237.9000107.1R705 Q709R705-H707 PolarHBondContact O-N 2.87Å; H707-Q709 PolarHBondContact CD2-OE1 2.88Å; H707-Q709 PolarHBondContact NE2-OE1 3.4Å; H707-Q709 PolarHBondContact O-N 3.47Å
708H24.8Very low32.6Very low191 Ų191133.2 Ų133.288%0.88471%0.71SS**  trans-84.169.2150.4-94-18.6000107.5P706P706-H708 VanDerWaalsContact C-N 3.26Å; P706-H708 PolarHBondContact O-N 2.92Å
709Q26.5Very low31.6Very low142 Ų142135.8 Ų135.866%0.66473%0.731SS**  trans-97.3117.2153-82178.9-8.500106H707 A711H707-Q709 PolarHBondContact CD2-OE1 2.88Å; H707-Q709 PolarHBondContact NE2-OE1 3.4Å; H707-Q709 PolarHBondContact O-N 3.47Å; Q709-A711 VanDerWaalsContact C-N 3.34Å; Q709-A711 PolarHBondContact O-N 2.89Å
710A27.1Very low30.6Very low107 Ų107136.9 Ų136.988%0.88475%0.745SS**  trans-65.196.8168.500000108.1
711A25.7Very low29.7Very low82 Ų82138 Ų13868%0.67876%0.764SS**  trans-88.2105.116900000108.5Q709Q709-A711 VanDerWaalsContact C-N 3.34Å; Q709-A711 PolarHBondContact O-N 2.89Å
712V30.4Very low28.8Very low143 Ų143141.2 Ų141.287%0.86778%0.781SS**  trans-89.5102.4149177.40000105
713E27.6Very low28.2Very low176 Ų176149 Ų14982%0.82279%0.792SS**  trans-121.9122.9168.6-79.8-168.1164.100110.2
714D24.7Very low27.4Very low154 Ų154146.3 Ų146.382%0.82479%0.793SS**  trans-64.7142.2165-81-43.8000111A716D714-A716 PolarHBondContact O-N 2.81Å
715P27.1Very low27.2Very low125 Ų125145.9 Ų145.981%0.81281%0.805SS**  trans-97.192.8-17336-29.5000111.6
716A27.5Very low27.7Very low90 Ų90140.2 Ų140.274%0.74480%0.797SS**  trans-163.6132.3153.500000111.6D714D714-A716 PolarHBondContact O-N 2.81Å
717V28.3Very low28Very low143 Ų143140.5 Ų140.587%0.86780%0.799SS**  trans8794171-163.10000115.6
718R24.6Very low28.5Very low241 Ų241136.1 Ų136.191%0.90980%0.795SS**  trans-105.8129.8158.8-75-178.3174.4170.5-0.8109.5
719P27.2Very low29.8Very low111 Ų111129.9 Ų129.972%0.72178%0.782SS**PPolyproline II helixtrans-86.8163.8154.932.9-24.3000110.3A721P719-A721 PolarHBondContact O-N 2.86Å
720P27.7Very low31Very low131 Ų131126.7 Ų126.785%0.85178%0.775SS**PPolyproline II helixtrans-79.6124.9-169.631.7-31.1000111
721A29.6Very low32.2Very low89 Ų89124.7 Ų124.774%0.73676%0.759SS**PPolyproline II helixtrans-92.2119.7167.400000109.3P719 R723P719-A721 PolarHBondContact O-N 2.86Å; A721-R723 PolarHBondContact O-N 3Å; A721-R723 VanDerWaalsContact O-N 3.16Å
722D26.8Very low33.6Very low170 Ų170122.7 Ų122.791%0.90974%0.742SS**  trans-54.4113.4163.1-91.8-32.8000109.4
723R26.9Very low34.9Very low223 Ų223118.3 Ų118.384%0.84272%0.716SS**PPolyproline II helixtrans-87.3125167.8-75179.4172177.6-3.1108.4A721 V725A721-R723 PolarHBondContact O-N 3Å; A721-R723 VanDerWaalsContact O-N 3.16Å; R723-V725 PolarHBondContact O-N 2.95Å
724P26.1Very low36.3Very low125 Ų125117.9 Ų117.981%0.81271%0.706SS**PPolyproline II helixtrans-67.8123.9161.626.9-28.9000108.7
725V31.4Very low37.7Very low129 Ų129115.9 Ų115.978%0.78269%0.692SS**PPolyproline II helixtrans-63.6132.8173.9176.90000109R723R723-V725 PolarHBondContact O-N 2.95Å
726P35.8Very low39.2Very low103 Ų103111.9 Ų111.967%0.66966%0.664SS**PPolyproline II helixtrans-69.5138.5176.827.4-32.5000111
727P35.4Very low40.9Very low126 Ų126114 Ų11482%0.81866%0.662SS**PPolyproline II helixtrans-64.8135.7164.127.2-30000109
728G37.7Very low42.6Very low58 Ų58114.5 Ų114.560%0.59866%0.655SS**PPolyproline II helixtrans-50.6136.4-165.300000115.5S730 A731G728-S730 PolarHBondContact O-N 3.49Å; G728-A731 PolarHBondContact O-N 3.27Å
729G51.4Low44.5Very low60 Ų60104.5 Ų104.562%0.61962%0.622SS**THydrogen-bonded Turntrans-58.7-2.6-174.300000117.2V733G729-V733 WeakPolarHBondContact O-CG2 3.5Å
730S52.8Low46.1Very low75 Ų75102.7 Ų102.752%0.52461%0.61SS.*Hα-helixtrans-76.2-23.1178.792.10000114.2G728 R734G728-S730 PolarHBondContact O-N 3.49Å; S730-R734 PolarHBondContact O-N 3.22Å
731A52.6Low47.5Very low65 Ų65100.6 Ų100.654%0.53760%0.604SS.*Hα-helixtrans-73.6-47.4-178.300000111.8G728 V733 R734 E735G728-A731 PolarHBondContact O-N 3.27Å; A731-V733 VanDerWaalsContact C-N 3.31Å; A731-V733 PolarHBondContact O-N 2.94Å; A731-R734 PolarHBondContact O-N 2.83Å; A731-E735 PolarHBondContact O-N 3.07Å; A731-E735 VanDerWaalsContact O-N 3.14Å
732A54Low48.9Very low39 Ų39104.2 Ų104.232%0.32261%0.605SS.*Hα-helixtrans-63-36.417800000112.5L700 E735 L736L700-A732 HydrophobicContact CD1-CB 4.19Å; A732-E735 PolarHBondContact O-N 2.85Å; A732-L736 PolarHBondContact O-N 2.93Å; A732-L736 VanDerWaalsContact O-N 3.07Å
733V57.8Low50.6Low52 Ų52100.7 Ų100.732%0.31559%0.589SS.*Hα-helixtrans-71.1-36.5177.5177.10000111.8G729 A731 E735 L736 L737G729-V733 WeakPolarHBondContact O-CG2 3.5Å; A731-V733 VanDerWaalsContact C-N 3.31Å; A731-V733 PolarHBondContact O-N 2.94Å; V733-E735 VanDerWaalsContact C-N 3.34Å; V733-L736 PolarHBondContact O-N 3.44Å; V733-L737 HydrophobicContact CG1-CD1 4.48Å; V733-L737 WeakPolarHBondContact O-CG 3.49Å; V733-L737 PolarHBondContact O-N 2.92Å
734R56.5Low52.2Low166 Ų16693 Ų9363%0.62657%0.565SS**Hα-helixtrans-64.5-39.7173.9-89.8-172.6-162.9135.97.6112.3S730 A731 L737 Q738S730-R734 PolarHBondContact O-N 3.22Å; A731-R734 PolarHBondContact O-N 2.83Å; R734-L737 PolarHBondContact O-N 2.98Å; R734-Q738 WeakPolarHBondContact O-CG 3.21Å; R734-Q738 PolarHBondContact O-N 3.06Å
735E55.3Low53.7Low113 Ų11389.8 Ų89.853%0.52854%0.544SS..Hα-helixtrans-68-38.3178.8-134.2-179.5173.800111.4A731 A732 V733 L737 Q738 S739A731-E735 PolarHBondContact O-N 3.07Å; A731-E735 VanDerWaalsContact O-N 3.14Å; A732-E735 PolarHBondContact O-N 2.85Å; V733-E735 VanDerWaalsContact C-N 3.34Å; E735-L737 VanDerWaalsContact C-N 3.32Å; E735-L737 PolarHBondContact O-N 2.79Å; E735-Q738 PolarHBondContact O-N 3.32Å; E735-Q738 VanDerWaalsContact O-N 3.14Å; E735-S739 PolarHBondContact O-N 3.05Å
736L58.4Low55.2Low40 Ų4087.2 Ų87.221%0.20954%0.536CS..Hα-helixtrans-58.9-42174.3-161.2118.4000112F697 A732 V733 Q738 S739 L750F697-L736 HydrophobicContact CD1-CD1 4.36Å; F697-L736 HydrophobicContact CE1-CD1 3.34Å; F697-L736 HydrophobicContact CE1-CG 4.33Å; F697-L736 HydrophobicContact CE2-CD1 4.35Å; F697-L736 HydrophobicContact CZ-CD1 3.34Å; F697-L736 HydrophobicContact CZ-CG 3.93Å; A732-L736 PolarHBondContact O-N 2.93Å; A732-L736 VanDerWaalsContact O-N 3.07Å; V733-L736 PolarHBondContact O-N 3.44Å; L736-Q738 VanDerWaalsContact C-N 3.3Å; L736-Q738 PolarHBondContact O-N 3.43Å; L736-S739 PolarHBondContact O-N 2.87Å; L736-S739 PolarHBondContact O-OG 2.76Å; L736-L750 HydrophobicContact CD1-CD2 4.05Å; L736-L750 HydrophobicContact CD2-CD2 4.41Å
737L62.3Low56.3Low134 Ų13485.8 Ų85.870%0.70253%0.533SS*.Hα-helixtrans-72.9-19.8178.2-69.1171000113.9V733 R734 E735V733-L737 HydrophobicContact CG1-CD1 4.48Å; V733-L737 WeakPolarHBondContact O-CG 3.49Å; V733-L737 PolarHBondContact O-N 2.92Å; R734-L737 PolarHBondContact O-N 2.98Å; E735-L737 VanDerWaalsContact C-N 3.32Å; E735-L737 PolarHBondContact O-N 2.79Å
738Q63.5Low57.5Low154 Ų15483.9 Ų83.972%0.7253%0.528SS*.Hα-helixtrans-92.7-10.6179.6-72.3178.6-1.200113R734 E735 L736R734-Q738 WeakPolarHBondContact O-CG 3.21Å; R734-Q738 PolarHBondContact O-N 3.06Å; E735-Q738 PolarHBondContact O-N 3.32Å; E735-Q738 VanDerWaalsContact O-N 3.14Å; L736-Q738 VanDerWaalsContact C-N 3.3Å; L736-Q738 PolarHBondContact O-N 3.43Å
739S66.4Low58.5Low32 Ų3283.6 Ų83.622%0.22452%0.52CS..SBendtrans-77.9135.2178.458.30000112E735 L736 L744E735-S739 PolarHBondContact O-N 3.05Å; L736-S739 PolarHBondContact O-N 2.87Å; L736-S739 PolarHBondContact O-OG 2.76Å; S739-L744 WeakPolarHBondContact OG-CD2 3.48Å
740P59.8Low58.8Low73 Ų7382.5 Ų82.547%0.47450%0.5SS..  trans-68.6143.9-177.225.5-32.1000112.1H742 V743P740-H742 PolarHBondContact O-N 2.81Å; P740-V743 HydrophobicContact CG-CG2 4.21Å; P740-V743 PolarHBondContact O-N 3.23Å
741A57Low59.1Low87 Ų8782.4 Ų82.472%0.71950%0.499SS*.G310 helixtrans-59.9-20.3-165.800000116.5V743A741-V743 VanDerWaalsContact C-N 3.26Å; A741-V743 PolarHBondContact O-N 3.23Å
742H59.4Low59.3Low165 Ų16581.6 Ų81.676%0.76449%0.489SS*.G310 helixtrans-78-10.3178.464.3-87.1000113.6P740P740-H742 PolarHBondContact O-N 2.81Å
743V62.1Low59.3Low95 Ų9581.9 Ų81.958%0.57649%0.487SS*.G310 helixtrans-99.3-9.7177.8-170.90000111.4P740 A741P740-V743 HydrophobicContact CG-CG2 4.21Å; P740-V743 PolarHBondContact O-N 3.23Å; A741-V743 VanDerWaalsContact C-N 3.26Å; A741-V743 PolarHBondContact O-N 3.23Å
744L60Low59Low61 Ų6184.3 Ų84.332%0.31949%0.493SS..PPolyproline II helixtrans-81.9137-176.2-70172.5000111.6F697 S739 L750F697-L744 HydrophobicContact CZ-CD2 4.17Å; S739-L744 WeakPolarHBondContact OG-CD2 3.48Å; L744-L750 HydrophobicContact CB-CD1 4.42Å; L744-L750 HydrophobicContact CD2-CD1 4.11Å
745P58.1Low59Low58 Ų5882 Ų8238%0.37749%0.491SS..PPolyproline II helixtrans-63.8169.4167.10.56.5000111.7A747P745-A747 PolarHBondContact O-N 3.19Å
746A63.3Low58.9Low75 Ų7581.8 Ų81.862%0.6249%0.49SS*.PPolyproline II helixtrans-50.2131.6177.200000112.1A748 A749A746-A748 PolarHBondContact O-N 2.94Å; A746-A749 PolarHBondContact O-N 3.35Å
747A58.2Low58.7Low73 Ų7382.7 Ų82.760%0.60350%0.503SS*.Hα-helixtrans-55.2-25.1-174.300000114.2P745 A749 L750 C751P745-A747 PolarHBondContact O-N 3.19Å; A747-A749 VanDerWaalsContact C-N 3.32Å; A747-A749 PolarHBondContact O-N 3.43Å; A747-L750 PolarHBondContact O-N 3.25Å; A747-C751 PolarHBondContact O-N 2.86Å
748A61.1Low57.9Low86 Ų8681.7 Ų81.771%0.71150%0.498SS*.Hα-helixtrans-61.5-36.2175.400000113.1A746A746-A748 PolarHBondContact O-N 2.94Å
749A58.7Low57.2Low53 Ų5379.9 Ų79.944%0.43849%0.492SS..Hα-helixtrans-76.7-29.5179.400000112.7A746 A747 S752A746-A749 PolarHBondContact O-N 3.35Å; A747-A749 VanDerWaalsContact C-N 3.32Å; A747-A749 PolarHBondContact O-N 3.43Å; A749-S752 PolarHBondContact O-OG 3.39Å
750L58.1Low56.1Low37 Ų3781.5 Ų81.519%0.19452%0.515CS..Hα-helixtrans-81.7-29.7179.4-66.6173.4000112.6F697 L736 L744 A747 S752 V753 F754F697-L750 HydrophobicContact CE1-CD2 4.33Å; L736-L750 HydrophobicContact CD1-CD2 4.05Å; L736-L750 HydrophobicContact CD2-CD2 4.41Å; L744-L750 HydrophobicContact CB-CD1 4.42Å; L744-L750 HydrophobicContact CD2-CD1 4.11Å; A747-L750 PolarHBondContact O-N 3.25Å; L750-S752 PolarHBondContact O-N 3.33Å; L750-V753 PolarHBondContact O-N 3.2Å; L750-F754 VanDerWaalsContact O-CB 3.32Å; L750-F754 WeakPolarHBondContact O-CB 3.03Å; L750-F754 PolarHBondContact O-N 3.3Å
751C57.9Low55.2Low73 Ų7384.3 Ų84.349%0.49353%0.53SS..Hα-helixtrans-61.1-39-179.4-91.20000113.2A747 F754 M755A747-C751 PolarHBondContact O-N 2.86Å; C751-F754 PolarHBondContact O-N 2.82Å; C751-M755 VanDerWaalsContact O-CB 3.25Å; C751-M755 WeakPolarHBondContact O-CB 3.37Å; C751-M755 WeakPolarHBondContact O-CG 3.3Å; C751-M755 PolarHBondContact O-N 2.8Å
752S56.8Low54.1Low47 Ų4784 Ų8433%0.32953%0.527SS..Hα-helixtrans-66.2-43.2-179.758.50000111.9A749 L750 M755 E756A749-S752 PolarHBondContact O-OG 3.39Å; L750-S752 PolarHBondContact O-N 3.33Å; S752-M755 PolarHBondContact O-N 2.77Å; S752-E756 WeakPolarHBondContact O-CB 3.36Å; S752-E756 WeakPolarHBondContact O-CG 3.44Å; S752-E756 PolarHBondContact O-N 2.82Å
753V54.5Low52.6Low46 Ų4682.4 Ų82.428%0.27953%0.53SS..Hα-helixtrans-66.7-42.3176.7178.80000111.4L700 L750 A757L700-V753 HydrophobicContact CD2-CG1 3.46Å; L700-V753 VanDerWaalsContact CD2-CG1 3.46Å; L750-V753 PolarHBondContact O-N 3.2Å; V753-A757 VanDerWaalsContact O-CB 3.32Å; V753-A757 WeakPolarHBondContact O-CB 3.43Å; V753-A757 PolarHBondContact O-N 3.07Å
754F52.1Low51Low103 Ų10386.6 Ų86.645%0.45254%0.543SS..Hα-helixtrans-66.1-42.2177.6-176.5-101.8000111.8L750 C751 A757 L758L750-F754 VanDerWaalsContact O-CB 3.32Å; L750-F754 WeakPolarHBondContact O-CB 3.03Å; L750-F754 PolarHBondContact O-N 3.3Å; C751-F754 PolarHBondContact O-N 2.82Å; F754-A757 PolarHBondContact O-N 2.75Å; F754-L758 HydrophobicContact CD1-CD1 3.89Å; F754-L758 HydrophobicContact CE1-CD1 3.32Å; F754-L758 HydrophobicContact CE2-CD1 4.13Å; F754-L758 HydrophobicContact CZ-CD1 3.46Å; F754-L758 VanDerWaalsContact CZ-CD1 3.46Å; F754-L758 WeakPolarHBondContact O-CB 3.21Å; F754-L758 PolarHBondContact O-N 2.9Å
755M55.6Low49.4Very low118 Ų11890 Ų9058%0.58157%0.567SS**Hα-helixtrans-66-43.9176.1-71.9-118.8-77.700111.5C751 S752 A757 L758 L759C751-M755 VanDerWaalsContact O-CB 3.25Å; C751-M755 WeakPolarHBondContact O-CB 3.37Å; C751-M755 WeakPolarHBondContact O-CG 3.3Å; C751-M755 PolarHBondContact O-N 2.8Å; S752-M755 PolarHBondContact O-N 2.77Å; M755-A757 VanDerWaalsContact C-N 3.34Å; M755-A757 PolarHBondContact O-N 3.15Å; M755-L758 PolarHBondContact O-N 3.1Å; M755-L759 HydrophobicContact CB-CD1 4.41Å; M755-L759 VanDerWaalsContact O-CB 3.29Å; M755-L759 WeakPolarHBondContact O-CB 3.39Å; M755-L759 WeakPolarHBondContact O-CD1 3.43Å; M755-L759 WeakPolarHBondContact O-CG 3.33Å; M755-L759 PolarHBondContact O-N 3.01Å
756E53.8Low47.8Very low107 Ų10799.1 Ų99.150%0.559%0.593SS.*Hα-helixtrans-64.2-37.4176.3-78176.3-162.200112.9R704 S752 L758 L759 G760R704-E756 IonicContact CZ-OE1 3.85Å; R704-E756 IonicContact CZ-OE2 3.81Å; R704-E756 IonicContact NH1-OE1 2.94Å; R704-E756 IonicContact NH2-OE1 3.72Å; R704-E756 PolarHBondContact NH2-OE1 2.85Å; R704-E756 IonicContact NH2-OE2 3.46Å; R704-E756 PolarHBondContact NH2-OE2 2.94Å; S752-E756 WeakPolarHBondContact O-CB 3.36Å; S752-E756 WeakPolarHBondContact O-CG 3.44Å; S752-E756 PolarHBondContact O-N 2.82Å; E756-L758 VanDerWaalsContact C-N 3.32Å; E756-L758 PolarHBondContact O-N 2.92Å; E756-L759 PolarHBondContact O-N 2.79Å; E756-G760 PolarHBondContact O-N 3.43Å
757A53.4Low46.1Very low60 Ų60104 Ų10450%0.49660%0.603SS.*Hα-helixtrans-67.9-31.3174.700000112.8V753 F754 M755V753-A757 VanDerWaalsContact O-CB 3.32Å; V753-A757 WeakPolarHBondContact O-CB 3.43Å; V753-A757 PolarHBondContact O-N 3.07Å; F754-A757 PolarHBondContact O-N 2.75Å; M755-A757 VanDerWaalsContact C-N 3.34Å; M755-A757 PolarHBondContact O-N 3.15Å
758L46.5Very low44.5Very low112 Ų112107.3 Ų107.359%0.58661%0.611SS**Hα-helixtrans-75.8-35.3173.1-115.5131.1000112.4F754 M755 E756F754-L758 HydrophobicContact CD1-CD1 3.89Å; F754-L758 HydrophobicContact CE1-CD1 3.32Å; F754-L758 HydrophobicContact CE2-CD1 4.13Å; F754-L758 HydrophobicContact CZ-CD1 3.46Å; F754-L758 VanDerWaalsContact CZ-CD1 3.46Å; F754-L758 WeakPolarHBondContact O-CB 3.21Å; F754-L758 PolarHBondContact O-N 2.9Å; M755-L758 PolarHBondContact O-N 3.1Å; E756-L758 VanDerWaalsContact C-N 3.32Å; E756-L758 PolarHBondContact O-N 2.92Å
759L48.9Very low42.8Very low116 Ų116111.8 Ų111.861%0.60762%0.617SS**Hα-helixtrans-78.9-24.1-178.6-70.4164.8000112.8M755 E756 V761 A762M755-L759 HydrophobicContact CB-CD1 4.41Å; M755-L759 VanDerWaalsContact O-CB 3.29Å; M755-L759 WeakPolarHBondContact O-CB 3.39Å; M755-L759 WeakPolarHBondContact O-CD1 3.43Å; M755-L759 WeakPolarHBondContact O-CG 3.33Å; M755-L759 PolarHBondContact O-N 3.01Å; E756-L759 PolarHBondContact O-N 2.79Å; L759-V761 PolarHBondContact O-N 2.83Å; L759-A762 PolarHBondContact O-N 3.28Å
760G43.3Very low41.1Very low67 Ų67115 Ų11569%0.69163%0.631SS**THydrogen-bonded Turntrans-660.4177.600000116E756E756-G760 PolarHBondContact O-N 3.43Å
761V40Very low39.5Very low132 Ų132118.8 Ų118.880%0.866%0.661SS**THydrogen-bonded Turntrans-100.3-6.5177.3-179.30000112.3L759L759-V761 PolarHBondContact O-N 2.83Å
762A33.3Very low37.9Very low80 Ų80120.1 Ų120.166%0.66168%0.677SS**SBendtrans-137.452.4-168.600000115L759L759-A762 PolarHBondContact O-N 3.28Å
763T28.5Very low36.3Very low132 Ų132121.2 Ų121.281%0.8170%0.696SS**  trans-151.674161.254.40000111.7
764E28.9Very low35Very low183 Ų183128.4 Ų128.486%0.85573%0.727SS**  trans-103139.9144-78.7-171.7167.400107.1
765T26.5Very low33.7Very low133 Ų133129.8 Ų129.882%0.81674%0.744SS**  trans87.689.5178.274.70000117.3
766R25.2Very low32.8Very low249 Ų249129.5 Ų129.594%0.9475%0.751SS**  171127.6106.4-95.1176.1164.3167-4.5111.6
767E25.7Very low31.3Very low176 Ų176129.7 Ų129.782%0.82276%0.763SS**  trans-75.9153.8172-64.1175.4148.100112.2
768N24.8Very low30.1Very low143 Ų143134.1 Ų134.177%0.76578%0.779SS**  trans55.3120.8148.7-66.7-17.6000120.6
769E25.5Very low29.6Very low180 Ų180134 Ų13484%0.84179%0.785SS**  174.9129.4105.3-92.6-179179.900112.9
770T24.6Very low28.5Very low121 Ų121136.9 Ų136.974%0.74280%0.795SS**  trans25.5129.3146.259.30000122.4
771S23.3Very low27.8Very low116 Ų116142.1 Ų142.181%0.81180%0.802SS**  156.4134.695.555.60000114.7
772A24.5Very low27.1Very low101 Ų101145.6 Ų145.684%0.83581%0.809SS**  trans34.2127.2143.500000123.2
773G24Very low26.8Very low70 Ų70149.6 Ų149.672%0.72281%0.814SS**  94116.8124.600000117.3
774E26.9Very low26.7Very low198 Ų198152.4 Ų152.493%0.92582%0.818SS**  166121.6125.3-89.1171.5-171.900110.6
775T25.5Very low26.5Very low132 Ų132151.4 Ų151.481%0.8181%0.814SS**  trans-83.9150.915246.20000107.7
776P34.8Very low26.6Very low112 Ų112152.9 Ų152.973%0.72781%0.811SS**  -149.2146.594.241.6-23.9000113.6
777S23.7Very low26.5Very low110 Ų110147.7 Ų147.777%0.76980%0.802SS**  79.1126.9107.3730000116.8
778D26.8Very low26.5Very low154 Ų154143.5 Ų143.582%0.82479%0.792SS**  trans-54.3169.1168.8-60.5-50.1000113.7
779P37Very low26.7Very low110 Ų110142.6 Ų142.671%0.71479%0.787SS**  -142.1150.792.128.7-8.6000116.6
780E25.3Very low26.6Very low175 Ų175141.7 Ų141.782%0.81878%0.783SS**  39.8118.1128.3-55.9176.3170.200118.6
781E28.3Very low26.7Very low177 Ų177145.5 Ų145.583%0.82779%0.793SS**  60.6108.788.8-77.4-172.5-175.100114.3
782E26.4Very low26.9Very low205 Ų205148.9 Ų148.996%0.95880%0.798SS**  trans-139.9119.3144.6-75.8-168.516400109.1
783E27.1Very low26.9Very low165 Ų165152.7 Ų152.777%0.77180%0.798SS**  trans-79.3153.7166.2-57.1179.5143.900110.7
784E25.8Very low26.9Very low191 Ų191155.9 Ų155.989%0.89380%0.804SS**  trans-159.4115.7135.8-65.6-159.6155.500105
785E25.8Very low26.7Very low162 Ų162158.1 Ų158.176%0.75780%0.804SS**  47.2130.268-65.9-84.9178.300110.6
786E26.8Very low26.6Very low163 Ų163156.6 Ų156.676%0.76281%0.805SS**  cis-146.9171.924.4-60.8174.6141.800105.9
787D24.2Very low26.1Very low141 Ų141157.7 Ų157.775%0.75481%0.81SS**  cis-175.4149.248.6-145-8.1000111.1
788S25.8Very low25.9Very low87 Ų87164 Ų16461%0.60882%0.816SS**  trans-81.3150.5-179.951.40000113.1
789D27.7Very low25.8Very low125 Ų125162.4 Ų162.467%0.66882%0.815SS**  175.3139.698-106.2-17.1000116.6
790Q25.3Very low25.1Very low160 Ų160166.5 Ų166.575%0.74882%0.824SS**  trans61.5116141.4-64.5171.739.100120.4
791E26.1Very low25.1Very low202 Ų202170.2 Ų170.294%0.94483%0.831SS**  trans-145134.3131.3-112.5177.1-158.800112.4
792M27.5Very low24.7Very low186 Ų186165.1 Ų165.192%0.91683%0.826SS**  trans-66.8144.9-175.8-92.3178.7176.700113.6
793E23.9Very low24.8Very low181 Ų181163.1 Ų163.185%0.84682%0.821SS**  trans-59.3132.6160.2-67.3-175.2147.600112
794T25.1Very low24.7Very low138 Ų138162.8 Ų162.885%0.84782%0.823SS**  trans-132.3125.6141.352.90000110.4A796T794-A796 PolarHBondContact O-N 2.91Å
795R22.3Very low24.6Very low244 Ų244162 Ų16292%0.92182%0.82SS**  trans-55.9126.8174.8-71.4169.2168.9174-4.4111.4
796A24Very low24.6Very low100 Ų100159.2 Ų159.283%0.82681%0.814SS**  trans-129.9126.7153.800000109.6T794T794-A796 PolarHBondContact O-N 2.91Å
797T22.6Very low24.4Very low136 Ų136158 Ų15883%0.83481%0.813SS**PPolyproline II helixtrans-58.9131.8-173.842.60000113.7
798R21.3Very low24.7Very low241 Ų241157.1 Ų157.191%0.90982%0.818SS**PPolyproline II helixtrans-56.8132.3163-70.5176.5170.5177.6-3.8110.3
799P24.3Very low24.8Very low122 Ų122157 Ų15779%0.79282%0.822SS**PPolyproline II helixtrans-89.7138.1150.722.4-8.4000109.8
800E22Very low25.2Very low195 Ų195156.2 Ų156.291%0.91182%0.818SS**PPolyproline II helixtrans-57.5138.1-176.9-64.6169.9144.200112.5G802E800-G802 PolarHBondContact O-N 2.82Å
801R24.5Very low25.9Very low254 Ų254151.9 Ų151.996%0.95880%0.803SS**  trans-71.8104.6169.1-79.1179.1172.5178-3.3108.8
802G21.4Very low26.9Very low70 Ų70147.8 Ų147.872%0.72279%0.792SS**  trans-86.2123.6164.300000110.6E800E800-G802 PolarHBondContact O-N 2.82Å
803L26.9Very low28.1Very low163 Ų163139.5 Ų139.585%0.85375%0.751SS**  trans-53.3133.6168.6-69.2135.8000111.4
804L26.1Very low29.9Very low157 Ų157133.5 Ų133.582%0.82273%0.729SS**  trans-142.9102.5162.5-79.5170.4000110.3
805E23.1Very low31.4Very low175 Ų175137.2 Ų137.282%0.81873%0.728SS**  trans26.3104.5135-65173.4169.400118.2D807E805-D807 VanDerWaalsContact C-N 3.32Å; E805-D807 PolarHBondContact O-N 2.88Å
806T24.8Very low33Very low103 Ų103128.5 Ų128.563%0.63271%0.708SS**  trans-8077.2157.7450000109.8S628S628-T806 WeakPolarHBondContact CB-OG1 3.5Å; S628-T806 PolarHBondContact OG-OG1 3.18Å
807D24.3Very low34.6Very low137 Ų137126.1 Ų126.173%0.73368%0.68SS**SBendtrans-100.7153.2146-98.8-21.9000106.9E805 A809E805-D807 VanDerWaalsContact C-N 3.32Å; E805-D807 PolarHBondContact O-N 2.88Å; D807-A809 PolarHBondContact O-N 2.77Å
808S30Very low36.4Very low124 Ų124120.5 Ų120.587%0.86765%0.645SS**  trans-63.569170.6570000110.9
809A27.4Very low38Very low83 Ų83117.9 Ų117.969%0.68664%0.635SS**  trans-94.7108.4177.900000107.6D807D807-A809 PolarHBondContact O-N 2.77Å
810D36.8Very low39.7Very low109 Ų109116.6 Ų116.658%0.58362%0.619SS**  trans-42.7140.5174.9-63.9-49.3000112.2L127 V812L127-D810 HydrophobicContact CD1-CB 4.38Å; L127-D810 WeakPolarHBondContact CD1-OD2 3.29Å; D810-V812 PolarHBondContact O-N 3.43Å; D810-V812 VanDerWaalsContact O-N 3.16Å
811P40.4Very low41.4Very low69 Ų69107.5 Ų107.545%0.44858%0.576SS.*  trans-63.5120.1-171.624.3-33.4000111.5P101 L813P101-P811 HydrophobicContact CB-CB 3.8Å; P101-P811 HydrophobicContact CB-CG 3.55Å; P101-P811 HydrophobicContact CG-CB 3.99Å; P101-P811 HydrophobicContact CG-CG 3.92Å; P811-L813 PolarHBondContact O-N 3.09Å
812V45.6Very low42.9Very low116 Ų116102.1 Ų102.170%0.70356%0.556SS**  trans-82.9110.8-176.5-178.70000110.3D810D810-V812 PolarHBondContact O-N 3.43Å; D810-V812 VanDerWaalsContact O-N 3.16Å
813L53.8Low44.3Very low13 Ų13108 Ų1087%0.06856%0.557CS.*  trans-63.3134.6171.3-72.2167.4000111.9Y100 P101 P120 P811 Q817 V818 L821Y100-L813 HydrophobicContact CD1-CD2 3.93Å; P101-L813 HydrophobicContact CG-CD2 4.03Å; P101-L813 HydrophobicContact CG-CG 4.44Å; P120-L813 HydrophobicContact CB-CD1 4.28Å; P120-L813 HydrophobicContact CG-CD1 4.04Å; P120-L813 HydrophobicContact CG-CG 4.49Å; P120-L813 WeakPolarHBondContact O-CD1 3.31Å; P811-L813 PolarHBondContact O-N 3.09Å; L813-Q817 HydrophobicContact CD2-CB 4.28Å; L813-V818 HydrophobicContact CB-CG2 3.81Å; L813-V818 HydrophobicContact CD1-CG2 4.29Å; L813-L821 HydrophobicContact CD1-CD1 4.27Å; L813-L821 HydrophobicContact CD2-CD1 4.46Å
814S62.4Low45.6Very low54 Ų54102 Ų10238%0.37853%0.526SS..  trans-68.2154173.982.60000111.8A816 Q817 V818S814-A816 PolarHBondContact O-N 2.97Å; S814-Q817 WeakPolarHBondContact O-CB 3.42Å; S814-Q817 PolarHBondContact O-N 3.07Å; S814-Q817 VanDerWaalsContact O-N 3.14Å; S814-Q817 WeakPolarHBondContact OG-CB 3.45Å; S814-Q817 VanDerWaalsContact OG-CG 3.27Å; S814-Q817 WeakPolarHBondContact OG-CG 3.5Å; S814-Q817 PolarHBondContact OG-N 2.82Å; S814-Q817 PolarHBondContact OG-OE1 3.33Å; S814-V818 WeakPolarHBondContact O-CG2 3.34Å; S814-V818 PolarHBondContact O-N 3.29Å
815R55.4Low46.7Very low216 Ų21699 Ų9982%0.81550%0.504SS*.Hα-helixtrans-61.1-26.1178.5-72.7-177.5177.9177.40.6113.2R819R815-R819 WeakPolarHBondContact O-CG 3.33Å; R815-R819 PolarHBondContact O-N 2.76Å
816A56.2Low47.6Very low62 Ų6298.6 Ų98.651%0.51250%0.5SS..Hα-helixtrans-72-47.6174.900000110.7S814 V818 R819 E820S814-A816 PolarHBondContact O-N 2.97Å; A816-V818 VanDerWaalsContact C-N 3.35Å; A816-V818 PolarHBondContact O-N 2.98Å; A816-R819 WeakPolarHBondContact O-CA 3.41Å; A816-R819 WeakPolarHBondContact O-CB 3.29Å; A816-R819 PolarHBondContact O-N 3.39Å; A816-E820 PolarHBondContact O-N 2.9Å
817Q57.9Low48.7Very low50 Ų50101 Ų10123%0.23451%0.508CS..Hα-helixtrans-57.7-44176.4-77.7168.8-17.400112.5G99 Y100 L813 S814 R819 E820 L821G99-Q817 PolarHBondContact O-NE2 2.88Å; Y100-Q817 HydrophobicContact CD1-CB 3.71Å; Y100-Q817 HydrophobicContact CD1-CG 3.69Å; Y100-Q817 HydrophobicContact CE1-CB 3.39Å; Y100-Q817 HydrophobicContact CE1-CG 3.44Å; Y100-Q817 VanDerWaalsContact CE1-CG 3.44Å; L813-Q817 HydrophobicContact CD2-CB 4.28Å; S814-Q817 WeakPolarHBondContact O-CB 3.42Å; S814-Q817 PolarHBondContact O-N 3.07Å; S814-Q817 VanDerWaalsContact O-N 3.14Å; S814-Q817 WeakPolarHBondContact OG-CB 3.45Å; S814-Q817 VanDerWaalsContact OG-CG 3.27Å; S814-Q817 WeakPolarHBondContact OG-CG 3.5Å; S814-Q817 PolarHBondContact OG-N 2.82Å; S814-Q817 PolarHBondContact OG-OE1 3.33Å; Q817-R819 VanDerWaalsContact C-N 3.26Å; Q817-R819 PolarHBondContact O-N 2.93Å; Q817-E820 PolarHBondContact O-N 3.02Å; Q817-L821 WeakPolarHBondContact O-CG 3.39Å; Q817-L821 PolarHBondContact O-N 3.17Å
818V59.6Low49.6Very low18 Ų1899.7 Ų99.711%0.10950%0.501CS..Hα-helixtrans-63.9-31.2175.7176.40000112.1L813 S814 A816 R822L813-V818 HydrophobicContact CB-CG2 3.81Å; L813-V818 HydrophobicContact CD1-CG2 4.29Å; S814-V818 WeakPolarHBondContact O-CG2 3.34Å; S814-V818 PolarHBondContact O-N 3.29Å; A816-V818 VanDerWaalsContact C-N 3.35Å; A816-V818 PolarHBondContact O-N 2.98Å; V818-R822 WeakPolarHBondContact O-CB 3.29Å; V818-R822 WeakPolarHBondContact O-CG 3.44Å; V818-R822 PolarHBondContact O-N 2.8Å
819R56.3Low50.6Low185 Ų18597.7 Ų97.770%0.69848%0.478SS*.Hα-helixtrans-73.8-36.5177.1-76.7174.2177.6-176.3-0111.9R815 A816 Q817 R823R815-R819 WeakPolarHBondContact O-CG 3.33Å; R815-R819 PolarHBondContact O-N 2.76Å; A816-R819 WeakPolarHBondContact O-CA 3.41Å; A816-R819 WeakPolarHBondContact O-CB 3.29Å; A816-R819 PolarHBondContact O-N 3.39Å; Q817-R819 VanDerWaalsContact C-N 3.26Å; Q817-R819 PolarHBondContact O-N 2.93Å; R819-R823 WeakPolarHBondContact O-CG 3.42Å; R819-R823 PolarHBondContact O-N 3.47Å; R819-R823 VanDerWaalsContact O-N 3.14Å
820E58.6Low51.5Low96 Ų9697.1 Ų97.145%0.44947%0.468SS..Hα-helixtrans-68.9-47.6175.2-74.8177.7164.300112.1Y100 A816 Q817 R822 R823 V824Y100-E820 VanDerWaalsContact OH-CB 3.28Å; Y100-E820 WeakPolarHBondContact OH-CB 3.13Å; Y100-E820 PolarHBondContact OH-OE2 2.93Å; A816-E820 PolarHBondContact O-N 2.9Å; Q817-E820 PolarHBondContact O-N 3.02Å; E820-R822 PolarHBondContact O-N 3.2Å; E820-R823 WeakPolarHBondContact O-CA 3.31Å; E820-R823 WeakPolarHBondContact O-CB 3.36Å; E820-R823 PolarHBondContact O-N 3.24Å; E820-V824 WeakPolarHBondContact O-CG2 3.43Å; E820-V824 PolarHBondContact O-N 3.26Å
821L58.6Low52.2Low3 Ų394.2 Ų94.22%0.01645%0.449CS..Hα-helixtrans-59-34.3174.9-71.3169.3000112.3Y100 P120 L133 L813 Q817 R823 V824 R825Y100-L821 HydrophobicContact CD1-CD1 3.89Å; Y100-L821 HydrophobicContact CD1-CG 4.22Å; Y100-L821 HydrophobicContact CD2-CD2 4.4Å; Y100-L821 HydrophobicContact CE1-CD1 4.01Å; Y100-L821 HydrophobicContact CE1-CD2 4.42Å; Y100-L821 HydrophobicContact CE1-CG 3.89Å; Y100-L821 HydrophobicContact CE2-CD2 4.27Å; Y100-L821 HydrophobicContact CG-CD1 4.41Å; P120-L821 WeakPolarHBondContact O-CD1 3.47Å; L133-L821 HydrophobicContact CD1-CD2 3.89Å; L813-L821 HydrophobicContact CD1-CD1 4.27Å; L813-L821 HydrophobicContact CD2-CD1 4.46Å; Q817-L821 WeakPolarHBondContact O-CG 3.39Å; Q817-L821 PolarHBondContact O-N 3.17Å; L821-R823 VanDerWaalsContact C-N 3.35Å; L821-V824 PolarHBondContact O-N 3.16Å; L821-R825 PolarHBondContact O-N 3.42Å
822R55.7Low52.5Low141 Ų14191.6 Ų91.653%0.53243%0.431SS..Hα-helixtrans-70.2-25.9172-76.4177.8-172.4-167.45.2113.8V818 E820V818-R822 WeakPolarHBondContact O-CB 3.29Å; V818-R822 WeakPolarHBondContact O-CG 3.44Å; V818-R822 PolarHBondContact O-N 2.8Å; E820-R822 PolarHBondContact O-N 3.2Å
823R51.1Low52.5Low195 Ų19589.4 Ų89.474%0.73642%0.421SS*.Hα-helixtrans-75.2-42.9172.3-76.1178.1178.3175.4-1.2110.7R819 E820 L821 R825 K826R819-R823 WeakPolarHBondContact O-CG 3.42Å; R819-R823 PolarHBondContact O-N 3.47Å; R819-R823 VanDerWaalsContact O-N 3.14Å; E820-R823 WeakPolarHBondContact O-CA 3.31Å; E820-R823 WeakPolarHBondContact O-CB 3.36Å; E820-R823 PolarHBondContact O-N 3.24Å; L821-R823 VanDerWaalsContact C-N 3.35Å; R823-R825 PolarHBondContact O-N 2.94Å; R823-K826 PolarHBondContact O-N 2.72Å
824V54.4Low52.1Low35 Ų3592.8 Ų92.821%0.21245%0.445CS..Hα-helixtrans-60.6-27.6175.6178.70000112.2L133 L150 A152 E820 L821 K826L133-V824 HydrophobicContact CD2-CG1 3.9Å; L150-V824 HydrophobicContact CB-CG1 4.46Å; L150-V824 WeakPolarHBondContact O-CG1 3.47Å; A152-V824 HydrophobicContact CB-CG1 4.21Å; E820-V824 WeakPolarHBondContact O-CG2 3.43Å; E820-V824 PolarHBondContact O-N 3.26Å; L821-V824 PolarHBondContact O-N 3.16Å; V824-K826 PolarHBondContact O-N 2.91Å
825R47.6Very low51.1Low96 Ų9692.5 Ų92.536%0.36244%0.44SS..THydrogen-bonded Turntrans-63.7-18.1171.2-81.9-176.7174-167.9-5.7114.9T121 Q131 S155 L821 R823T121-R825 PolarHBondContact OG1-NH2 3.39Å; Q131-R825 VanDerWaalsContact OE1-CG 3.27Å; S155-R825 PolarHBondContact O-NH2 2.81Å; L821-R825 PolarHBondContact O-N 3.42Å; R823-R825 PolarHBondContact O-N 2.94Å
826K43.5Very low50.4Low166 Ų16686.9 Ų86.972%0.72243%0.425SS*.SBendtrans-108.993.4-178.5-73.3-175.7177.1-175.90109.1R823 V824R823-K826 PolarHBondContact O-N 2.72Å; V824-K826 PolarHBondContact O-N 2.91Å
827L47.9Very low49.4Very low152 Ų15291.3 Ų91.380%0.79644%0.44SS*.  trans66.5101.7161.9-60133.3000114.8
828D41.5Very low48.2Very low111 Ų11195.8 Ų95.859%0.59448%0.477SS*.  -169.4105.9129.4-92.9-21.5000111.1S830D828-S830 VanDerWaalsContact C-N 3.32Å
829H51.2Low47.6Very low82 Ų8299.7 Ų99.738%0.3850%0.495SS..  trans-9815.5164.1-58.8-57.9000111.4W831 F832H829-W831 PolarHBondContact O-N 3.16Å; H829-F832 WeakPolarHBondContact O-CB 3.41Å; H829-F832 PolarHBondContact O-N 3.04Å; H829-F832 VanDerWaalsContact O-N 3.11Å
830S47.1Very low47.2Very low70 Ų7095.2 Ų95.249%0.4948%0.484SS..Hα-helixtrans-62.7-23.1-173.148.80000113.9D828 S833D828-S830 VanDerWaalsContact C-N 3.32Å; S830-S833 PolarHBondContact O-OG 3.27Å
831W51.1Low46.5Very low49 Ų4995.1 Ų95.119%0.18649%0.486CS..Hα-helixtrans-78.9-18.3176.767-86.5000113.7V114 F116 A134 S151 H829 S833 S834 L835V114-W831 HydrophobicContact CG1-CH2 4.29Å; V114-W831 HydrophobicContact CG1-CZ3 4.2Å; V114-W831 HydrophobicContact CG2-CZ3 4.16Å; F116-W831 HydrophobicContact CE1-CH2 4.46Å; A134-W831 HydrophobicContact CB-CH2 3.85Å; A134-W831 HydrophobicContact CB-CZ2 3.62Å; S151-W831 VanDerWaalsContact OG-CE2 3.3Å; S151-W831 PolarHBondContact OG-NE1 3.32Å; H829-W831 PolarHBondContact O-N 3.16Å; W831-S833 VanDerWaalsContact C-N 3.32Å; W831-S834 PolarHBondContact O-N 3.33Å; W831-S834 PolarHBondContact O-OG 2.86Å; W831-L835 HydrophobicContact CE3-CD1 3.61Å; W831-L835 HydrophobicContact CZ3-CD1 3.56Å
832F47.2Very low45.8Very low13 Ų13100.5 Ų100.56%0.05751%0.514CS..Hα-helixtrans-72.7-29.9177.6-135.9-83.7000111.8H111 F186 H829 S834 L836H111-F832 AromaticContact CE1-CZ 3.64Å; F186-F832 HydrophobicContact CB-CE1 3.94Å; F186-F832 HydrophobicContact CB-CE2 3.84Å; F186-F832 HydrophobicContact CB-CZ 3.36Å; F186-F832 HydrophobicContact CD1-CD2 4.25Å; F186-F832 AromaticContact CD1-CE2 3.37Å; F186-F832 HydrophobicContact CD1-CE2 3.37Å; F186-F832 AromaticContact CD1-CZ 3.83Å; F186-F832 HydrophobicContact CD1-CZ 3.83Å; F186-F832 HydrophobicContact CE1-CE2 4.21Å; F186-F832 AromaticContact CG-CE2 3.89Å; F186-F832 HydrophobicContact CG-CE2 3.89Å; F186-F832 AromaticContact CG-CZ 3.83Å; F186-F832 HydrophobicContact CG-CZ 3.83Å; H829-F832 WeakPolarHBondContact O-CB 3.41Å; H829-F832 PolarHBondContact O-N 3.04Å; H829-F832 VanDerWaalsContact O-N 3.11Å; F832-S834 VanDerWaalsContact C-N 3.3Å; F832-S834 PolarHBondContact O-N 2.97Å; F832-L836 HydrophobicContact CD1-CD1 3.76Å; F832-L836 HydrophobicContact CD1-CG 4.18Å; F832-L836 HydrophobicContact CE1-CD1 4.19Å; F832-L836 HydrophobicContact CE1-CG 4.28Å; F832-L836 PolarHBondContact O-N 3.21Å
833S46Very low45.2Very low71 Ų7198 Ų9850%0.49751%0.513SS..Hα-helixtrans-65.3-31.4172.923.30000112.8S830 W831S830-S833 PolarHBondContact O-OG 3.27Å; W831-S833 VanDerWaalsContact C-N 3.32Å
834S44.4Very low44.8Very low83 Ų8391.5 Ų91.558%0.5850%0.498SS*.Hα-helixtrans-79.4-22.1179.846.90000114.4W831 F832W831-S834 PolarHBondContact O-N 3.33Å; W831-S834 PolarHBondContact O-OG 2.86Å; F832-S834 VanDerWaalsContact C-N 3.3Å; F832-S834 PolarHBondContact O-N 2.97Å
835L42.9Very low44.1Very low49 Ų4995.6 Ų95.626%0.25752%0.519SS..Hα-helixtrans-89-19.9177.7-91.4156.5000113.8V114 W831 D837 S838V114-L835 HydrophobicContact CG2-CD1 4.15Å; W831-L835 HydrophobicContact CE3-CD1 3.61Å; W831-L835 HydrophobicContact CZ3-CD1 3.56Å; L835-D837 VanDerWaalsContact C-N 3.35Å; L835-S838 PolarHBondContact O-OG 2.92Å
836L39.2Very low43.8Very low98 Ų9895.5 Ų95.551%0.51353%0.531SS..SBendtrans-82-14.8176.8-79.6163.7000113.1F832F832-L836 HydrophobicContact CD1-CD1 3.76Å; F832-L836 HydrophobicContact CD1-CG 4.18Å; F832-L836 HydrophobicContact CE1-CD1 4.19Å; F832-L836 HydrophobicContact CE1-CG 4.28Å; F832-L836 PolarHBondContact O-N 3.21Å
837D35.4Very low43.9Very low155 Ų15589.7 Ų89.783%0.82952%0.515SS*.  trans-96.92.5-179.7-77.6-15.5000113.5L835L835-D837 VanDerWaalsContact C-N 3.35Å
838S32.6Very low43.5Very low143 Ų14384 Ų84100%149%0.489SS*.  trans-1180173.861.60000110.9L835L835-S838 PolarHBondContact O-OG 2.92Å

Retrieved 838 of 838 residues in 839.2 ms (Link to these results)

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