A0A087XSE2_POEFO Loading...

Membrane-associated guanylate kinase, WW and PDZ domain-containing protein 1

Plays a role in coupling actin fibers to cell junctions in endothelial cells, via its interaction with AMOTL2 and CDH5. May regulate acid-induced ASIC3 currents by modulating its expression at the cell surface.

AlphaFold DB , UniProt , Accession A0A087XSE2, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 1,279 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
1M33.5Very low49.9Very low237 Ų237137.5 Ų137.5100%1.16773%0.729SS**  0139.80-79.158.1169.300108.9
2T33.2Very low53.2Low138 Ų138131.3 Ų131.385%0.84770%0.701SS**  trans-131.8135.7161.637.60000106.9
3N33.5Very low55.8Low163 Ų163127.3 Ų127.387%0.87269%0.689SS**PPolyproline II helixtrans-70.8127.4-171.4-96.4-18.4000111.3A5N3-A5 PolarHBondContact O-N 3.45Å
4P39.9Very low58.1Low114 Ų114125 Ų12574%0.7467%0.666SS**PPolyproline II helixtrans-69.9122.9167.129.6-31.9000108.9L6P4-L6 PolarHBondContact O-N 2.92Å
5A37.4Very low60.4Low96 Ų96120.5 Ų120.579%0.79364%0.644SS**PPolyproline II helixtrans-61.5128.6174.900000110.2N3 K7N3-A5 PolarHBondContact O-N 3.45Å; A5-K7 PolarHBondContact O-N 3.49Å
6L39.9Very low62.4Low169 Ų169115.2 Ų115.289%0.88562%0.616SS**  trans-59.2105.8179.2-77.6159.5000110.6P4 K8P4-L6 PolarHBondContact O-N 2.92Å; L6-K8 PolarHBondContact O-N 2.71Å
7K43.2Very low64.3Low185 Ų185113.9 Ų113.980%0.80461%0.605SS**  trans-59.7111.2162-73.6-175176.8-178.60107.4A5 N9A5-K7 PolarHBondContact O-N 3.49Å; K7-N9 PolarHBondContact O-N 3.11Å
8K48.7Very low65.9Low204 Ų204107.6 Ų107.689%0.88757%0.572SS**  trans-67.3104.8174.4-68.6-174.7178-177.90108.2L6 H10L6-K8 PolarHBondContact O-N 2.71Å; K8-H10 PolarHBondContact O-N 2.91Å
9N65.5Low67.3Low122 Ų122102.6 Ų102.665%0.65255%0.547SS*.  trans-58.9127.7-179.1-72-21.5000110.4K7K7-N9 PolarHBondContact O-N 3.11Å
10H84.6Confident68.5Low59 Ų5997.5 Ų97.527%0.27352%0.519SS..  trans-69.1170.9179.5-155.2-112.6000110.8K8 T12 S13 R14 D121K8-H10 PolarHBondContact O-N 2.91Å; H10-T12 PolarHBondContact ND1-N 2.99Å; H10-T12 PolarHBondContact ND1-OG1 3.03Å; H10-S13 PolarHBondContact O-OG 3.39Å; H10-R14 PolarHBondContact O-NE 2.86Å; H10-D121 IonicContact NE2-OD2 3.25Å
11W89.8Confident69.4Low25 Ų2593 Ų9310%0.09550%0.497CS..SBendtrans-76.5-32.8170.564.1-101.5000111.6S13 R14 V15 L66 V97 L103 P120 D121 L124W11-S13 PolarHBondContact O-N 2.85Å; W11-R14 CarbonylContact O-C 3.43Å; W11-R14 WeakPolarHBondContact O-CA 3.44Å; W11-R14 PolarHBondContact O-N 3.05Å; W11-V15 HydrophobicContact CE3-CG2 4.12Å; W11-V15 HydrophobicContact CZ3-CG2 4.2Å; W11-V15 PolarHBondContact O-N 3.16Å; W11-L66 HydrophobicContact CE3-CD1 4.18Å; W11-L66 HydrophobicContact CZ3-CD1 3.72Å; W11-V97 HydrophobicContact CB-CG2 4.23Å; W11-L103 HydrophobicContact CB-CB 4.47Å; W11-L103 HydrophobicContact CB-CD2 4.03Å; W11-L103 HydrophobicContact CD2-CD2 3.6Å; W11-L103 HydrophobicContact CE3-CD2 3.91Å; W11-L103 HydrophobicContact CG-CB 4.27Å; W11-L103 HydrophobicContact CG-CD2 3.66Å; W11-P120 HydrophobicContact CZ2-CB 4.19Å; W11-D121 PolarHBondContact NE1-OD1 3.45Å; W11-L124 HydrophobicContact CH2-CB 4.4Å; W11-L124 HydrophobicContact CH2-CD2 3.89Å; W11-L124 HydrophobicContact CZ2-CB 4.13Å; W11-L124 HydrophobicContact CZ2-CD2 3.7Å
12T89.1Confident72Confident64 Ų6483.5 Ų83.539%0.39345%0.449SS..G310 helixtrans-59.8-30.1176.252.60000113.3H10 R14 P120H10-T12 PolarHBondContact ND1-N 2.99Å; H10-T12 PolarHBondContact ND1-OG1 3.03Å; T12-R14 PolarHBondContact O-N 2.86Å; T12-P120 HydrophobicContact CG2-CB 3.69Å; T12-P120 HydrophobicContact CG2-CG 4.24Å
13S86.9Confident74.4Confident79 Ų7978.9 Ų78.955%0.55242%0.419SS*.G310 helixtrans-86.614.8173.771.30000113.6H10 W11H10-S13 PolarHBondContact O-OG 3.39Å; W11-S13 PolarHBondContact O-N 2.85Å
14R88.3Confident76.4Confident95 Ų9578.4 Ų78.436%0.35842%0.422SS..G310 helixtrans-134.613178.4-62.5-175.6-66.5118.72.5112H10 W11 T12 V97 R98H10-R14 PolarHBondContact O-NE 2.86Å; W11-R14 CarbonylContact O-C 3.43Å; W11-R14 WeakPolarHBondContact O-CA 3.44Å; W11-R14 PolarHBondContact O-N 3.05Å; T12-R14 PolarHBondContact O-N 2.86Å; R14-V97 HydrophobicContact CB-CG2 4.39Å; R14-R98 PolarHBondContact NH1-O 3.41Å
15V92.6Very high78Confident57 Ų5781.4 Ų81.435%0.34542%0.418SS..EExtended strand (participates in β ladder)trans-69.6137.8172.8177.10000109.1W11 L66 K95 T96 V97W11-V15 HydrophobicContact CE3-CG2 4.12Å; W11-V15 HydrophobicContact CZ3-CG2 4.2Å; W11-V15 PolarHBondContact O-N 3.16Å; V15-L66 HydrophobicContact CG2-CD1 4.35Å; V15-K95 HydrophobicContact CG1-CB 4.1Å; V15-T96 CarbonylContact C-O 3.51Å; V15-T96 VanDerWaalsContact CA-O 3.32Å; V15-T96 WeakPolarHBondContact CA-O 3.3Å; V15-V97 HydrophobicContact CG2-CB 4.49Å
16N93.1Very high79.7Confident36 Ų3678.2 Ų78.219%0.19340%0.395CS..EExtended strand (participates in β ladder)trans-118111.4-176.717636.1000107.8K58 E63 T96N16-K58 PolarHBondContact ND2-O 2.86Å; N16-E63 PolarHBondContact ND2-OE2 2.99Å; N16-T96 PolarHBondContact N-O 2.77Å; N16-T96 PolarHBondContact ND2-OG1 3.47Å; N16-T96 PolarHBondContact O-N 3.47Å; N16-T96 PolarHBondContact O-OG1 2.95Å; N16-T96 VanDerWaalsContact O-OG1 3.08Å
17E94.3Very high81.6Confident93 Ų9373.6 Ų73.644%0.43537%0.371SS..EExtended strand (participates in β ladder)trans-94130.3175.7-172.1165.8161.400109.3L94 K95E17-L94 WeakPolarHBondContact CA-O 3.46Å; E17-K95 HydrophobicContact CB-CG 4.22Å; E17-K95 HydrophobicContact CG-CG 3.97Å; E17-K95 WeakPolarHBondContact OE2-CE 3.19Å
18C92.8Very high83.3Confident0 Ų065.3 Ų65.30%034%0.336CS..EExtended strand (participates in β ladder)trans-140138.3-175.1-177.70000110.1Y54 D56 L59 L94C18-Y54 VanDerWaalsContact SG-CD1 3.57Å; C18-D56 CarbonylContact C-O 3.43Å; C18-D56 WeakPolarHBondContact CA-O 3.41Å; C18-D56 PolarHBondContact SG-O 3.47Å; C18-L59 HydrophobicContact CB-CD2 3.87Å; C18-L59 HydrophobicContact CB-CG 4.31Å; C18-L94 PolarHBondContact N-O 3.19Å; C18-L94 PolarHBondContact O-N 3.35Å
19S92.6Very high84.9Confident14 Ų1457.6 Ų57.610%0.09830%0.304CS..EExtended strand (participates in β ladder)trans-109.7116.2175.4-62.20000109.4R55 D56 V92S19-R55 WeakPolarHBondContact O-CB 3.42Å; S19-R55 PolarHBondContact O-N 2.97Å; S19-D56 PolarHBondContact N-O 3.25Å; S19-D56 PolarHBondContact O-N 3.48Å; S19-V92 WeakPolarHBondContact CA-O 3.24Å
20V90.8Very high85.9Confident0 Ų052.9 Ų52.90%028%0.28CS..EExtended strand (participates in β ladder)trans-112.9125.2-177.3-172.60000109.9L28 V52 Y54 L59 P91 V92 L94V20-L28 HydrophobicContact CB-CD2 4.1Å; V20-L28 HydrophobicContact CG1-CB 4.33Å; V20-L28 HydrophobicContact CG1-CD2 3.92Å; V20-L28 WeakPolarHBondContact O-CD2 3.38Å; V20-V52 HydrophobicContact CG1-CG1 3.6Å; V20-Y54 HydrophobicContact CG2-CD1 4.12Å; V20-Y54 HydrophobicContact CG2-CE1 4.05Å; V20-L59 HydrophobicContact CG2-CD1 3.97Å; V20-L59 HydrophobicContact CG2-CG 4.29Å; V20-P91 CarbonylContact O-C 3.54Å; V20-P91 WeakPolarHBondContact O-CA 3.39Å; V20-V92 PolarHBondContact N-O 3.25Å; V20-V92 PolarHBondContact O-N 2.94Å; V20-L94 HydrophobicContact CG2-CD1 4.07Å
21G88.4Confident86Confident4 Ų452.2 Ų52.24%0.04128%0.282CS..EExtended strand (participates in β ladder)trans-77.5139.7172.800000111.9F53G21-F53 PolarHBondContact N-O 2.62Å
22K87.6Confident86.1Confident36 Ų3652.2 Ų52.216%0.15728%0.284CS..  trans-71.6147.4166.6-68.2175.3159.11790111.1G26 D27 L28 I85 K86 C88 S90 V92K22-G26 WeakPolarHBondContact CD-O 3.39Å; K22-G26 WeakPolarHBondContact CE-O 3.25Å; K22-G26 VanDerWaalsContact CG-O 3.3Å; K22-G26 WeakPolarHBondContact CG-O 3.39Å; K22-D27 CarbonylContact C-O 3.55Å; K22-D27 VanDerWaalsContact CA-O 3.31Å; K22-D27 WeakPolarHBondContact CA-O 3.48Å; K22-L28 HydrophobicContact CB-CD2 4.43Å; K22-L28 HydrophobicContact CG-CD2 3.51Å; K22-L28 HydrophobicContact CG-CG 4.23Å; K22-I85 WeakPolarHBondContact CE-O 3.43Å; K22-I85 PolarHBondContact NZ-O 2.83Å; K22-K86 VanDerWaalsContact NZ-C 3.31Å; K22-K86 PolarHBondContact NZ-O 2.93Å; K22-C88 PolarHBondContact NZ-O 2.96Å; K22-S90 PolarHBondContact N-OG 3.03Å; K22-V92 HydrophobicContact CD-CG2 4.47Å
23D82.7Confident86.4Confident42 Ų4254.7 Ų54.723%0.22529%0.286CS..  trans-77.6-175.5170.579.76.2000112.3R25 G26 D27 N29D23-R25 PolarHBondContact O-N 2.92Å; D23-R25 VanDerWaalsContact O-N 3.15Å; D23-R25 WeakPolarHBondContact OD1-CA 3.49Å; D23-R25 WeakPolarHBondContact OD1-CB 3.31Å; D23-R25 PolarHBondContact OD1-N 2.95Å; D23-R25 IonicContact OD1-NE 2.64Å; D23-R25 IonicContact OD2-CZ 2.71Å; D23-R25 IonicContact OD2-NE 2.61Å; D23-R25 PolarHBondContact OD2-NE 2.73Å; D23-R25 IonicContact OD2-NH2 3.49Å; D23-R25 PolarHBondContact OD2-NH2 2.93Å; D23-G26 PolarHBondContact O-N 3.01Å; D23-G26 PolarHBondContact OD1-N 3.06Å; D23-D27 PolarHBondContact N-O 2.83Å; D23-D27 PolarHBondContact OD1-N 3.12Å; D23-N29 PolarHBondContact OD2-ND2 3.01Å
24T75.6Confident86.7Confident152 Ų15251.2 Ų51.293%0.93326%0.262SS*.THydrogen-bonded Turntrans-66.4-9.2-178.649.20000114.8
25R74.8Confident87Confident177 Ų17746.7 Ų46.767%0.66825%0.245SC*.THydrogen-bonded Turntrans-100.3-5.9173.9-60.9166.9-68.3-168.73.2112.3D23D23-R25 PolarHBondContact O-N 2.92Å; D23-R25 VanDerWaalsContact O-N 3.15Å; D23-R25 WeakPolarHBondContact OD1-CA 3.49Å; D23-R25 WeakPolarHBondContact OD1-CB 3.31Å; D23-R25 PolarHBondContact OD1-N 2.95Å; D23-R25 IonicContact OD1-NE 2.64Å; D23-R25 IonicContact OD2-CZ 2.71Å; D23-R25 IonicContact OD2-NE 2.61Å; D23-R25 PolarHBondContact OD2-NE 2.73Å; D23-R25 IonicContact OD2-NH2 3.49Å; D23-R25 PolarHBondContact OD2-NH2 2.93Å
26G73.6Confident87.1Confident30 Ų3044 Ų4431%0.30923%0.229SC..SBendtrans91.44-177.400000114.6K22 D23K22-G26 WeakPolarHBondContact CD-O 3.39Å; K22-G26 WeakPolarHBondContact CE-O 3.25Å; K22-G26 VanDerWaalsContact CG-O 3.3Å; K22-G26 WeakPolarHBondContact CG-O 3.39Å; D23-G26 PolarHBondContact O-N 3.01Å; D23-G26 PolarHBondContact OD1-N 3.06Å
27D78.6Confident87.2Confident71 Ų7143 Ų4338%0.3822%0.223SC..  trans-90.2145.8-179.1-76.7-51.1000112.2K22 D23 N29K22-D27 CarbonylContact C-O 3.55Å; K22-D27 VanDerWaalsContact CA-O 3.31Å; K22-D27 WeakPolarHBondContact CA-O 3.48Å; D23-D27 PolarHBondContact N-O 2.83Å; D23-D27 PolarHBondContact OD1-N 3.12Å; D27-N29 VanDerWaalsContact C-N 3.29Å
28L79.2Confident87.1Confident12 Ų1242.4 Ų42.46%0.06322%0.223CC..  trans-79.6-8.4173.3-68.4-174.7000113.7V20 K22 V30 I85 V92 L94V20-L28 HydrophobicContact CB-CD2 4.1Å; V20-L28 HydrophobicContact CG1-CB 4.33Å; V20-L28 HydrophobicContact CG1-CD2 3.92Å; V20-L28 WeakPolarHBondContact O-CD2 3.38Å; K22-L28 HydrophobicContact CB-CD2 4.43Å; K22-L28 HydrophobicContact CG-CD2 3.51Å; K22-L28 HydrophobicContact CG-CG 4.23Å; L28-V30 HydrophobicContact CB-CB 4.49Å; L28-V30 PolarHBondContact O-N 2.82Å; L28-V30 VanDerWaalsContact O-N 3.09Å; L28-I85 HydrophobicContact CD1-CG2 3.5Å; L28-I85 VanDerWaalsContact CD1-CG2 3.5Å; L28-I85 HydrophobicContact CG-CG2 4.06Å; L28-V92 HydrophobicContact CD1-CB 4.1Å; L28-V92 HydrophobicContact CD1-CG1 4.39Å; L28-V92 HydrophobicContact CD1-CG2 4.31Å; L28-V92 HydrophobicContact CD2-CB 4.16Å; L28-V92 HydrophobicContact CD2-CG2 3.94Å; L28-L94 HydrophobicContact CD1-CD1 4.42Å
29N82.6Confident87.2Confident41 Ų4142.7 Ų42.722%0.21923%0.226CC..  trans54.620.4-172.5-66.7-50.7000115.2D23 D27 L51 V52D23-N29 PolarHBondContact OD2-ND2 3.01Å; D27-N29 VanDerWaalsContact C-N 3.29Å; N29-L51 HydrophobicContact CB-CB 3.78Å; N29-L51 WeakPolarHBondContact CB-O 3.4Å; N29-L51 PolarHBondContact ND2-O 3.49Å; N29-V52 HydrophobicContact CB-CG2 4.04Å; N29-V52 VanDerWaalsContact O-CG2 3.28Å; N29-V52 WeakPolarHBondContact O-CG2 3.47Å
30V85.3Confident87.3Confident24 Ų2445 Ų4515%0.14524%0.235CC..EExtended strand (participates in β ladder)trans-106.4124.1176.1174.20000109.3L28 L32 I44 V52 L59L28-V30 HydrophobicContact CB-CB 4.49Å; L28-V30 PolarHBondContact O-N 2.82Å; L28-V30 VanDerWaalsContact O-N 3.09Å; V30-L32 HydrophobicContact CG1-CD2 4.34Å; V30-I44 HydrophobicContact CG1-CD1 4.3Å; V30-I44 HydrophobicContact CG1-CG2 3.82Å; V30-V52 HydrophobicContact CG2-CB 4.47Å; V30-V52 HydrophobicContact CG2-CG1 3.78Å; V30-V52 HydrophobicContact CG2-CG2 3.76Å; V30-L59 HydrophobicContact CG1-CD1 3.99Å; V30-L59 HydrophobicContact CG2-CD1 3.82Å
31S87.7Confident87.6Confident45 Ų4545 Ų4532%0.31524%0.236SC..EExtended strand (participates in β ladder)trans-71.3138.1171.1-175.20000110.3G45 Q46S31-G45 WeakPolarHBondContact O-CA 3.46Å; S31-G45 PolarHBondContact O-N 3.34Å; S31-Q46 VanDerWaalsContact CB-O 3.28Å; S31-Q46 WeakPolarHBondContact CB-O 3.44Å; S31-Q46 PolarHBondContact N-O 2.87Å
32L92.3Very high88Confident25 Ų2545 Ų4513%0.13124%0.235CC..EExtended strand (participates in β ladder)trans-119.1141.9172.5-62.1173.2000109.5V30 I44 L65 L78 V81 I85V30-L32 HydrophobicContact CG1-CD2 4.34Å; L32-I44 HydrophobicContact CD2-CD1 3.68Å; L32-L65 HydrophobicContact CD2-CD2 4.32Å; L32-L78 HydrophobicContact CB-CD1 4Å; L32-V81 HydrophobicContact CD1-CG1 4.29Å; L32-I85 HydrophobicContact CD1-CD1 3.51Å
33R93.7Very high88.4Confident115 Ų11544.9 Ų44.943%0.43423%0.234SC..EExtended strand (participates in β ladder)trans-143.5175.7-177-62.3-173.2-173.5-171.14.5110.6A42 Y43R33-A42 CarbonylContact O-C 3.48Å; R33-A42 WeakPolarHBondContact O-CA 3.43Å; R33-Y43 HydrophobicContact CB-CD2 4.25Å; R33-Y43 HydrophobicContact CB-CE1 3.97Å; R33-Y43 HydrophobicContact CB-CE2 3.61Å; R33-Y43 VanDerWaalsContact CB-CZ 3.44Å; R33-Y43 HydrophobicContact CG-CE2 4.42Å; R33-Y43 PolarHBondContact N-O 2.91Å; R33-Y43 PolarHBondContact O-N 2.78Å
34G93.9Very high88.9Confident6 Ų642.9 Ų42.96%0.06222%0.223CC..  trans80.3-138.5-173.800000111.1N38 E40G34-N38 PolarHBondContact O-ND2 3.09Å; G34-E40 WeakPolarHBondContact CA-OE2 3.46Å
35G94.9Very high89.6Confident0 Ų035.7 Ų35.70%018%0.179CC..  trans104.1151.2-179.200000113.3E37 N38 G39 E40 F41G35-E37 WeakPolarHBondContact CA-OE2 3.28Å; G35-E37 PolarHBondContact O-N 3.05Å; G35-N38 WeakPolarHBondContact O-CB 3.5Å; G35-N38 PolarHBondContact O-N 3.01Å; G35-G39 PolarHBondContact O-N 3.1Å; G35-G39 VanDerWaalsContact O-N 3.12Å; G35-E40 CarbonylContact C-O 3.46Å; G35-E40 WeakPolarHBondContact CA-O 3.33Å; G35-E40 PolarHBondContact N-O 3.03Å; G35-E40 PolarHBondContact O-N 3.21Å; G35-F41 PolarHBondContact N-O 3.45Å
36A95.6Very high90.2Very high1 Ų133.3 Ų33.31%0.00818%0.176CC..THydrogen-bonded Turntrans-62-30.2-172.600000113.7N38 G39 E40 G75 L76 L107 L132 P187A36-N38 VanDerWaalsContact C-N 3.26Å; A36-N38 PolarHBondContact O-N 3.13Å; A36-G39 WeakPolarHBondContact O-CA 3.43Å; A36-G39 PolarHBondContact O-N 2.93Å; A36-E40 PolarHBondContact N-O 3.18Å; A36-G75 WeakPolarHBondContact CB-O 3.39Å; A36-L76 WeakPolarHBondContact CB-O 3.44Å; A36-L76 PolarHBondContact N-O 3.32Å; A36-L76 VanDerWaalsContact N-O 3.14Å; A36-L107 HydrophobicContact CB-CD2 4.13Å; A36-L132 HydrophobicContact CB-CD2 3.8Å; A36-P187 HydrophobicContact CB-CG 3.95Å
37E93.8Very high90.8Very high15 Ų1533.2 Ų33.27%0.0717%0.168CC..THydrogen-bonded Turntrans-64.2-30.1174.777.5-72.4-175.300112.6G35 P77 L78 K186 P187G35-E37 WeakPolarHBondContact CA-OE2 3.28Å; G35-E37 PolarHBondContact O-N 3.05Å; E37-P77 WeakPolarHBondContact OE2-CA 3.46Å; E37-L78 WeakPolarHBondContact OE1-CB 3.11Å; E37-L78 PolarHBondContact OE1-N 3.41Å; E37-L78 PolarHBondContact OE2-N 3.28Å; E37-K186 WeakPolarHBondContact O-CD 3.45Å; E37-P187 HydrophobicContact CB-CB 4.42Å; E37-P187 WeakPolarHBondContact CB-O 3.26Å
38N93.2Very high90.9Very high81 Ų8133.6 Ų33.643%0.43317%0.169SC..THydrogen-bonded Turntrans-83.3-22.1171.1-66-64.9000111.6G34 G35 A36 K186G34-N38 PolarHBondContact O-ND2 3.09Å; G35-N38 WeakPolarHBondContact O-CB 3.5Å; G35-N38 PolarHBondContact O-N 3.01Å; A36-N38 VanDerWaalsContact C-N 3.26Å; A36-N38 PolarHBondContact O-N 3.13Å; N38-K186 WeakPolarHBondContact O-CE 3.41Å; N38-K186 PolarHBondContact O-NZ 2.88Å
39G93.9Very high90.8Very high6 Ų638.9 Ų38.96%0.06219%0.194CC..THydrogen-bonded Turntrans87.421.3-171.300000113.8G35 A36 L107G35-G39 PolarHBondContact O-N 3.1Å; G35-G39 VanDerWaalsContact O-N 3.12Å; A36-G39 WeakPolarHBondContact O-CA 3.43Å; A36-G39 PolarHBondContact O-N 2.93Å; G39-L107 WeakPolarHBondContact O-CB 3.22Å; G39-L107 PolarHBondContact O-N 2.99Å
40E96Very high90.5Very high62 Ų6244.2 Ų44.229%0.2922%0.222SC..BIsolated β-bridgetrans-112.4159.1175-66.3-166.8112.600111.4G34 G35 A36 Y43 K105G34-E40 WeakPolarHBondContact CA-OE2 3.46Å; G35-E40 CarbonylContact C-O 3.46Å; G35-E40 WeakPolarHBondContact CA-O 3.33Å; G35-E40 PolarHBondContact N-O 3.03Å; G35-E40 PolarHBondContact O-N 3.21Å; A36-E40 PolarHBondContact N-O 3.18Å; E40-Y43 WeakPolarHBondContact OE2-CE1 3.36Å; E40-K105 CarbonylContact C-O 3.53Å; E40-K105 WeakPolarHBondContact CA-O 3.35Å; E40-K105 WeakPolarHBondContact CB-O 3.46Å
41F96.8Very high90.2Very high1 Ų147.4 Ų47.40%0.00424%0.238CC..  trans-60.9145.9156.8-75.4-96.9000109.6G35 Y43 L64 L103 N104 K105 L107 Y110 L124 I128G35-F41 PolarHBondContact N-O 3.45Å; F41-Y43 PolarHBondContact O-N 3.26Å; F41-L64 HydrophobicContact CB-CD2 4.11Å; F41-L64 HydrophobicContact CG-CD1 4.43Å; F41-L103 HydrophobicContact CE1-CD1 3.89Å; F41-L103 HydrophobicContact CE2-CD1 3.8Å; F41-L103 HydrophobicContact CZ-CD1 3.39Å; F41-N104 WeakPolarHBondContact CD2-O 3.1Å; F41-K105 PolarHBondContact N-O 3.42Å; F41-L107 HydrophobicContact CD1-CD1 4.33Å; F41-L107 HydrophobicContact CD2-CD1 3.87Å; F41-L107 HydrophobicContact CE1-CD1 4.12Å; F41-L107 HydrophobicContact CE2-CD1 3.64Å; F41-L107 HydrophobicContact CG-CD1 4.21Å; F41-L107 HydrophobicContact CZ-CD1 3.77Å; F41-Y110 HydrophobicContact CE2-CD1 4.32Å; F41-Y110 HydrophobicContact CE2-CG 4.1Å; F41-Y110 AromaticContact CZ-CD1 3.78Å; F41-Y110 HydrophobicContact CZ-CD1 3.78Å; F41-Y110 HydrophobicContact CZ-CE1 4.39Å; F41-Y110 AromaticContact CZ-CG 3.99Å; F41-Y110 HydrophobicContact CZ-CG 3.99Å; F41-L124 HydrophobicContact CE1-CD2 4.43Å; F41-I128 HydrophobicContact CE1-CD1 3.81Å; F41-I128 HydrophobicContact CE1-CG1 4.47Å; F41-I128 HydrophobicContact CZ-CD1 3.61Å
42A96.3Very high89.9Confident4 Ų445.7 Ų45.73%0.03323%0.226CC..  trans-62.2135.6164.200000109.1R33 L65 I73 L78 V81R33-A42 CarbonylContact O-C 3.48Å; R33-A42 WeakPolarHBondContact O-CA 3.43Å; A42-L65 PolarHBondContact O-N 3.46Å; A42-I73 HydrophobicContact CB-CD1 3.77Å; A42-L78 HydrophobicContact CB-CD1 4.47Å; A42-V81 HydrophobicContact CB-CG1 4.5Å; A42-V81 HydrophobicContact CB-CG2 4.39Å
43Y95.4Very high89.6Confident32 Ų3250 Ų5013%0.12524%0.244CC..EExtended strand (participates in β ladder)trans-140.7155-179.768.2-96.5000112.5R33 E40 F41 G45 E63 K105R33-Y43 HydrophobicContact CB-CD2 4.25Å; R33-Y43 HydrophobicContact CB-CE1 3.97Å; R33-Y43 HydrophobicContact CB-CE2 3.61Å; R33-Y43 VanDerWaalsContact CB-CZ 3.44Å; R33-Y43 HydrophobicContact CG-CE2 4.42Å; R33-Y43 PolarHBondContact N-O 2.91Å; R33-Y43 PolarHBondContact O-N 2.78Å; E40-Y43 WeakPolarHBondContact OE2-CE1 3.36Å; F41-Y43 PolarHBondContact O-N 3.26Å; Y43-G45 PolarHBondContact O-N 3.41Å; Y43-E63 CarbonylContact C-O 3.55Å; Y43-E63 VanDerWaalsContact CA-O 3.3Å; Y43-E63 WeakPolarHBondContact CA-O 3.38Å; Y43-E63 WeakPolarHBondContact CB-O 3.45Å; Y43-K105 HydrophobicContact CD1-CD 3.9Å; Y43-K105 HydrophobicContact CD1-CG 4.29Å; Y43-K105 HydrophobicContact CE1-CD 3.87Å; Y43-K105 HydrophobicContact CG-CD 4.37Å
44I94.7Very high89.3Confident1 Ų146.9 Ų46.91%0.00523%0.232CC..EExtended strand (participates in β ladder)trans-68.2115.4175.5-51.7-52.4000108.7V30 L32 I47 L59 G62 E63 T96V30-I44 HydrophobicContact CG1-CD1 4.3Å; V30-I44 HydrophobicContact CG1-CG2 3.82Å; L32-I44 HydrophobicContact CD2-CD1 3.68Å; I44-I47 HydrophobicContact CG2-CD1 3.78Å; I44-I47 HydrophobicContact CG2-CG1 3.75Å; I44-L59 HydrophobicContact CD1-CD1 4.14Å; I44-L59 HydrophobicContact CD1-CD2 4.32Å; I44-L59 HydrophobicContact CG1-CD2 4.33Å; I44-L59 HydrophobicContact CG2-CB 4.39Å; I44-L59 HydrophobicContact CG2-CD1 4.45Å; I44-G62 WeakPolarHBondContact O-CA 3.22Å; I44-G62 PolarHBondContact O-N 3.19Å; I44-E63 HydrophobicContact CG1-CB 4.42Å; I44-E63 PolarHBondContact N-O 2.83Å; I44-T96 HydrophobicContact CD1-CG2 4.24Å; I44-T96 HydrophobicContact CG1-CG2 4.12Å
45G90.1Very high88.9Confident0 Ų054.7 Ų54.70%026%0.26CS..EExtended strand (participates in β ladder)trans-80.1-149.3172.300000111.7S31 Y43 I47 E61S31-G45 WeakPolarHBondContact O-CA 3.46Å; S31-G45 PolarHBondContact O-N 3.34Å; Y43-G45 PolarHBondContact O-N 3.41Å; G45-I47 PolarHBondContact O-N 2.89Å; G45-E61 WeakPolarHBondContact O-CG 3.45Å
46Q87.3Confident88.4Confident128 Ų12860 Ų6060%0.59829%0.288SS*.EExtended strand (participates in β ladder)trans-61.6128.3179.5-164.6175.313.200111.6S31 E61S31-Q46 VanDerWaalsContact CB-O 3.28Å; S31-Q46 WeakPolarHBondContact CB-O 3.44Å; S31-Q46 PolarHBondContact N-O 2.87Å; Q46-E61 WeakPolarHBondContact CA-OE1 3.35Å; Q46-E61 PolarHBondContact N-OE1 3.02Å
47I85.9Confident88Confident28 Ų2861.5 Ų61.514%0.14430%0.304CS..EExtended strand (participates in β ladder)trans-102.5122.1178.5-56.5177.6000108.3I44 G45 E49 V52 Y54 L59I44-I47 HydrophobicContact CG2-CD1 3.78Å; I44-I47 HydrophobicContact CG2-CG1 3.75Å; G45-I47 PolarHBondContact O-N 2.89Å; I47-E49 HydrophobicContact CG2-CG 4.33Å; I47-E49 PolarHBondContact O-N 3.17Å; I47-V52 HydrophobicContact CG2-CG2 4.05Å; I47-Y54 WeakPolarHBondContact CG2-OH 3.38Å; I47-L59 HydrophobicContact CD1-CB 3.79Å; I47-L59 WeakPolarHBondContact CD1-O 3.44Å
48N81.1Confident87.8Confident78 Ų7866.4 Ų66.442%0.41733%0.325SS..  trans-89.791168.6-169.1-15.5000109.1N50 L51 V52N48-N50 PolarHBondContact O-N 2.94Å; N48-L51 HydrophobicContact CB-CB 4.48Å; N48-L51 HydrophobicContact CB-CD1 4.42Å; N48-L51 WeakPolarHBondContact ND2-CD1 3.13Å; N48-L51 PolarHBondContact O-N 3.16Å; N48-V52 PolarHBondContact O-N 2.84Å
49E76.2Confident87.6Confident124 Ų12462.8 Ų62.858%0.57931%0.306SS*.THydrogen-bonded Turntrans-54.9-22.9-173.2-65.8-158.1122.900114.2I47 L51 K58I47-E49 HydrophobicContact CG2-CG 4.33Å; I47-E49 PolarHBondContact O-N 3.17Å; E49-L51 VanDerWaalsContact C-N 3.32Å; E49-K58 IonicContact OE1-NZ 3.52Å
50N77.2Confident87.4Confident152 Ų15264.9 Ų64.981%0.81332%0.316SS*.THydrogen-bonded Turntrans-77.6-13.1177.9-59-59.8000114.2N48N48-N50 PolarHBondContact O-N 2.94Å
51L77.8Confident87.2Confident91 Ų9167.8 Ų67.848%0.47633%0.329SS..THydrogen-bonded Turntrans-119.4-11.6-174.6-60.3-178.1000114N29 N48 E49N29-L51 HydrophobicContact CB-CB 3.78Å; N29-L51 WeakPolarHBondContact CB-O 3.4Å; N29-L51 PolarHBondContact ND2-O 3.49Å; N48-L51 HydrophobicContact CB-CB 4.48Å; N48-L51 HydrophobicContact CB-CD1 4.42Å; N48-L51 WeakPolarHBondContact ND2-CD1 3.13Å; N48-L51 PolarHBondContact O-N 3.16Å; E49-L51 VanDerWaalsContact C-N 3.32Å
52V82.6Confident86.9Confident10 Ų1068.5 Ų68.56%0.06134%0.337CS..  trans-93.8112.7-176.9179.90000110.3V20 N29 V30 I47 N48 Y54V20-V52 HydrophobicContact CG1-CG1 3.6Å; N29-V52 HydrophobicContact CB-CG2 4.04Å; N29-V52 VanDerWaalsContact O-CG2 3.28Å; N29-V52 WeakPolarHBondContact O-CG2 3.47Å; V30-V52 HydrophobicContact CG2-CB 4.47Å; V30-V52 HydrophobicContact CG2-CG1 3.78Å; V30-V52 HydrophobicContact CG2-CG2 3.76Å; I47-V52 HydrophobicContact CG2-CG2 4.05Å; N48-V52 PolarHBondContact O-N 2.84Å; V52-Y54 HydrophobicContact CB-CE2 4.03Å; V52-Y54 HydrophobicContact CG1-CD1 4.37Å; V52-Y54 HydrophobicContact CG1-CD2 4.24Å; V52-Y54 HydrophobicContact CG1-CE1 3.82Å; V52-Y54 HydrophobicContact CG1-CE2 3.69Å; V52-Y54 VanDerWaalsContact CG1-CZ 3.45Å; V52-Y54 PolarHBondContact O-N 3.48Å
53F84.6Confident86.8Confident114 Ų11468.4 Ų68.450%0.534%0.336SS..EExtended strand (participates in β ladder)trans-85.995.6-177.2-172.1-91.7000111.7G21 R55G21-F53 PolarHBondContact N-O 2.62Å; F53-R55 HydrophobicContact CD1-CG 4.31Å; F53-R55 HydrophobicContact CE1-CG 4.02Å
54Y87.9Confident86.9Confident50 Ų5066.9 Ų66.920%0.19633%0.33CS..EExtended strand (participates in β ladder)trans-75.4126.3176-65.2-72.9000112.1C18 V20 I47 V52 L59C18-Y54 VanDerWaalsContact SG-CD1 3.57Å; V20-Y54 HydrophobicContact CG2-CD1 4.12Å; V20-Y54 HydrophobicContact CG2-CE1 4.05Å; I47-Y54 WeakPolarHBondContact CG2-OH 3.38Å; V52-Y54 HydrophobicContact CB-CE2 4.03Å; V52-Y54 HydrophobicContact CG1-CD1 4.37Å; V52-Y54 HydrophobicContact CG1-CD2 4.24Å; V52-Y54 HydrophobicContact CG1-CE1 3.82Å; V52-Y54 HydrophobicContact CG1-CE2 3.69Å; V52-Y54 VanDerWaalsContact CG1-CZ 3.45Å; V52-Y54 PolarHBondContact O-N 3.48Å; Y54-L59 HydrophobicContact CE1-CB 4.21Å; Y54-L59 HydrophobicContact CE1-CG 4.13Å
55R85.2Confident86.9Confident171 Ų17166.9 Ų66.965%0.64533%0.33SS*.EExtended strand (participates in β ladder)trans-92.1-40168.4-76.5-78.8-168.9-160.3-4.4112S19 F53 P91S19-R55 WeakPolarHBondContact O-CB 3.42Å; S19-R55 PolarHBondContact O-N 2.97Å; F53-R55 HydrophobicContact CD1-CG 4.31Å; F53-R55 HydrophobicContact CE1-CG 4.02Å; R55-P91 HydrophobicContact CB-CB 4.39Å; R55-P91 HydrophobicContact CG-CB 3.77Å; R55-P91 HydrophobicContact CG-CG 4.01Å
56D85.8Confident87.2Confident111 Ų11167.4 Ų67.459%0.59433%0.333SS*.EExtended strand (participates in β ladder)trans-154.1151.3177.5-169.917.3000110C18 S19C18-D56 CarbonylContact C-O 3.43Å; C18-D56 WeakPolarHBondContact CA-O 3.41Å; C18-D56 PolarHBondContact SG-O 3.47Å; S19-D56 PolarHBondContact N-O 3.25Å; S19-D56 PolarHBondContact O-N 3.48Å
57G86.9Confident87.6Confident33 Ų3363.6 Ų63.634%0.3432%0.315SS..SBendtrans61.5-168.7-172.900000114.4
58K88.7Confident88Confident117 Ų11762.3 Ų62.351%0.50931%0.308SS..  trans-145.3138.3167.9-83.5-162.6167.7-154.30109.5N16 E49 N60N16-K58 PolarHBondContact ND2-O 2.86Å; E49-K58 IonicContact OE1-NZ 3.52Å; K58-N60 PolarHBondContact O-ND2 3.34Å
59L89.9Confident88.4Confident6 Ų661.6 Ų61.63%0.03130%0.302CS..  trans-78.7155166.4-61.7176.1000110.4C18 V20 V30 I44 I47 Y54 L94 T96C18-L59 HydrophobicContact CB-CD2 3.87Å; C18-L59 HydrophobicContact CB-CG 4.31Å; V20-L59 HydrophobicContact CG2-CD1 3.97Å; V20-L59 HydrophobicContact CG2-CG 4.29Å; V30-L59 HydrophobicContact CG1-CD1 3.99Å; V30-L59 HydrophobicContact CG2-CD1 3.82Å; I44-L59 HydrophobicContact CD1-CD1 4.14Å; I44-L59 HydrophobicContact CD1-CD2 4.32Å; I44-L59 HydrophobicContact CG1-CD2 4.33Å; I44-L59 HydrophobicContact CG2-CB 4.39Å; I44-L59 HydrophobicContact CG2-CD1 4.45Å; I47-L59 HydrophobicContact CD1-CB 3.79Å; I47-L59 WeakPolarHBondContact CD1-O 3.44Å; Y54-L59 HydrophobicContact CE1-CB 4.21Å; Y54-L59 HydrophobicContact CE1-CG 4.13Å; L59-L94 HydrophobicContact CD1-CD1 3.87Å; L59-L94 HydrophobicContact CD2-CB 4.4Å; L59-L94 HydrophobicContact CD2-CD1 4.2Å; L59-T96 HydrophobicContact CD2-CG2 3.76Å
60N90.3Very high89.1Confident50 Ų5060.2 Ų60.227%0.26730%0.299SS..  trans-127.3141.7172.6-49-120.5000108.8K58 G62 E63 R98K58-N60 PolarHBondContact O-ND2 3.34Å; N60-G62 PolarHBondContact O-N 2.88Å; N60-E63 HydrophobicContact CB-CG 3.93Å; N60-E63 WeakPolarHBondContact CB-OE2 3.14Å; N60-E63 PolarHBondContact N-OE2 2.99Å; N60-E63 VanDerWaalsContact ND2-CD 3.25Å; N60-E63 PolarHBondContact ND2-OE1 2.61Å; N60-E63 PolarHBondContact ND2-OE2 3.19Å; N60-E63 WeakPolarHBondContact O-CB 3.29Å; N60-E63 PolarHBondContact O-N 3.45Å; N60-R98 VanDerWaalsContact CG-NH1 3.29Å; N60-R98 PolarHBondContact ND2-NH2 3.02Å; N60-R98 PolarHBondContact OD1-NH1 2.68Å; N60-R98 PolarHBondContact OD1-NH2 3.31Å
61E91.1Very high89.8Confident122 Ų12257.7 Ų57.757%0.5729%0.285SS*.THydrogen-bonded Turntrans-60136.3176.2176.2160.7-16400110.9G45 Q46G45-E61 WeakPolarHBondContact O-CG 3.45Å; Q46-E61 WeakPolarHBondContact CA-OE1 3.35Å; Q46-E61 PolarHBondContact N-OE1 3.02Å
62G90Very high90.6Very high17 Ų1756 Ų5618%0.17528%0.281CS..THydrogen-bonded Turntrans85.9-4.6-177.100000115.6I44 N60 P99I44-G62 WeakPolarHBondContact O-CA 3.22Å; I44-G62 PolarHBondContact O-N 3.19Å; N60-G62 PolarHBondContact O-N 2.88Å; G62-P99 WeakPolarHBondContact O-CD 3.29Å; G62-P99 WeakPolarHBondContact O-CG 3.46Å
63E95Very high91.2Very high2 Ų255.6 Ų55.61%0.00928%0.278CS..PPolyproline II helixtrans-68.1132.8174.2-70.9-176.4143.400111.4N16 Y43 I44 N60 R98N16-E63 PolarHBondContact ND2-OE2 2.99Å; Y43-E63 CarbonylContact C-O 3.55Å; Y43-E63 VanDerWaalsContact CA-O 3.3Å; Y43-E63 WeakPolarHBondContact CA-O 3.38Å; Y43-E63 WeakPolarHBondContact CB-O 3.45Å; I44-E63 HydrophobicContact CG1-CB 4.42Å; I44-E63 PolarHBondContact N-O 2.83Å; N60-E63 HydrophobicContact CB-CG 3.93Å; N60-E63 WeakPolarHBondContact CB-OE2 3.14Å; N60-E63 PolarHBondContact N-OE2 2.99Å; N60-E63 VanDerWaalsContact ND2-CD 3.25Å; N60-E63 PolarHBondContact ND2-OE1 2.61Å; N60-E63 PolarHBondContact ND2-OE2 3.19Å; N60-E63 WeakPolarHBondContact O-CB 3.29Å; N60-E63 PolarHBondContact O-N 3.45Å; E63-R98 HydrophobicContact CG-CG 3.75Å; E63-R98 WeakPolarHBondContact OE1-CG 3.48Å; E63-R98 IonicContact OE1-CZ 3.21Å; E63-R98 IonicContact OE1-NE 3.51Å; E63-R98 PolarHBondContact OE1-NE 3.48Å; E63-R98 IonicContact OE1-NH1 2.74Å; E63-R98 IonicContact OE1-NH2 3.86Å; E63-R98 PolarHBondContact OE1-NH2 3.02Å
64L96.3Very high91.7Very high0 Ų050.3 Ų50.30%026%0.255CS..EExtended strand (participates in β ladder)trans-70.7138175.2-48.7179.8000109.1F41 T96 V97 P99 L103 N104 K105F41-L64 HydrophobicContact CB-CD2 4.11Å; F41-L64 HydrophobicContact CG-CD1 4.43Å; L64-T96 CarbonylContact O-C 3.47Å; L64-T96 WeakPolarHBondContact O-CA 3.31Å; L64-T96 WeakPolarHBondContact O-CB 3.36Å; L64-V97 HydrophobicContact CB-CG1 4.04Å; L64-V97 HydrophobicContact CD1-CG1 4.3Å; L64-V97 HydrophobicContact CG-CG1 4.47Å; L64-V97 PolarHBondContact N-O 3.06Å; L64-V97 PolarHBondContact O-N 3.17Å; L64-P99 HydrophobicContact CD2-CG 3.89Å; L64-P99 HydrophobicContact CG-CG 3.99Å; L64-L103 HydrophobicContact CD1-CD1 4.18Å; L64-L103 HydrophobicContact CD1-CD2 4.41Å; L64-L103 HydrophobicContact CD1-CG 3.81Å; L64-N104 VanDerWaalsContact CD1-O 3.28Å; L64-N104 WeakPolarHBondContact CD1-O 3.39Å; L64-K105 HydrophobicContact CD2-CB 4.42Å; L64-K105 HydrophobicContact CD2-CG 3.64Å
65L95.8Very high92Very high0 Ų048.1 Ų48.10%025%0.248CC..EExtended strand (participates in β ladder)trans-95.1123.5175.4-176.864.2000109.2L32 A42 V68 I73 V81 I85 L94 T96L32-L65 HydrophobicContact CD2-CD2 4.32Å; A42-L65 PolarHBondContact O-N 3.46Å; L65-V68 HydrophobicContact CD1-CG2 4.37Å; L65-V68 HydrophobicContact CD2-CG2 3.9Å; L65-V68 HydrophobicContact CG-CG2 4.31Å; L65-I73 HydrophobicContact CB-CD1 4Å; L65-I73 HydrophobicContact CD2-CD1 3.74Å; L65-I73 HydrophobicContact CD2-CG1 4.48Å; L65-I73 HydrophobicContact CG-CD1 3.65Å; L65-I73 HydrophobicContact CG-CG1 4.11Å; L65-I73 WeakPolarHBondContact O-CD1 3.5Å; L65-V81 HydrophobicContact CD2-CG1 4Å; L65-I85 HydrophobicContact CD2-CD1 4.16Å; L65-L94 HydrophobicContact CD1-CB 3.9Å; L65-L94 HydrophobicContact CD1-CD2 3.99Å; L65-L94 HydrophobicContact CD1-CG 4.45Å; L65-T96 HydrophobicContact CD1-CG2 3.71Å
66L95.6Very high92.5Very high11 Ų1141.1 Ų41.16%0.05822%0.223CC..EExtended strand (participates in β ladder)trans-106.8-39.4-176-57-177.2000112.4W11 V15 I73 K95 V97W11-L66 HydrophobicContact CE3-CD1 4.18Å; W11-L66 HydrophobicContact CZ3-CD1 3.72Å; V15-L66 HydrophobicContact CG2-CD1 4.35Å; L66-I73 PolarHBondContact O-N 3.06Å; L66-K95 PolarHBondContact N-O 2.85Å; L66-V97 HydrophobicContact CD1-CB 4.3Å; L66-V97 HydrophobicContact CD1-CG1 3.78Å; L66-V97 HydrophobicContact CD2-CG1 4.15Å; L66-V97 HydrophobicContact CG-CG1 4.04Å
67E95.5Very high93Very high49 Ų4935.8 Ų35.823%0.22920%0.195CC..EExtended strand (participates in β ladder)trans-140.1149.3-179.9-57.3172.9-137.800112.1N70 L71 K95E67-N70 WeakPolarHBondContact OE2-CA 3.34Å; E67-L71 CarbonylContact C-O 3.54Å; E67-L71 WeakPolarHBondContact CA-O 3.28Å; E67-K95 HydrophobicContact CB-CB 4.11Å; E67-K95 HydrophobicContact CB-CD 4.48Å; E67-K95 HydrophobicContact CB-CG 4.44Å; E67-K95 PolarHBondContact N-O 3.29Å; E67-K95 PolarHBondContact O-N 2.64Å; E67-K95 IonicContact OE1-NZ 3.92Å; E67-K95 IonicContact OE2-NZ 3.16Å; E67-K95 PolarHBondContact OE2-NZ 3.46Å
68V94.4Very high93.3Very high0 Ų035.3 Ų35.30%018%0.184CC..EExtended strand (participates in β ladder)trans-128.2124.5170.2-179.70000107.9L65 N70 L71 I73 L84 I85 V92 K93 L94L65-V68 HydrophobicContact CD1-CG2 4.37Å; L65-V68 HydrophobicContact CD2-CG2 3.9Å; L65-V68 HydrophobicContact CG-CG2 4.31Å; V68-N70 PolarHBondContact O-N 3.06Å; V68-N70 VanDerWaalsContact O-N 3.09Å; V68-L71 PolarHBondContact N-O 3.43Å; V68-L71 WeakPolarHBondContact O-CB 3.36Å; V68-L71 PolarHBondContact O-N 2.77Å; V68-I73 HydrophobicContact CB-CG2 4.13Å; V68-I73 HydrophobicContact CG2-CG1 4.42Å; V68-I73 HydrophobicContact CG2-CG2 3.83Å; V68-L84 HydrophobicContact CB-CD2 3.94Å; V68-L84 HydrophobicContact CB-CG 4.48Å; V68-L84 HydrophobicContact CG1-CD2 4.24Å; V68-L84 HydrophobicContact CG1-CG 4.23Å; V68-I85 HydrophobicContact CG1-CG1 3.72Å; V68-I85 HydrophobicContact CG2-CD1 4Å; V68-I85 HydrophobicContact CG2-CG1 4.02Å; V68-V92 HydrophobicContact CG1-CG1 3.84Å; V68-K93 CarbonylContact C-O 3.52Å; V68-K93 WeakPolarHBondContact CA-O 3.4Å; V68-L94 HydrophobicContact CB-CD2 4.37Å; V68-L94 HydrophobicContact CG1-CD2 4.1Å; V68-L94 HydrophobicContact CG2-CD2 3.84Å
69E90.5Very high93.5Very high64 Ų6431.3 Ų31.330%0.29917%0.166SC..THydrogen-bonded Turntrans50.531.5-175.6-71.6-56143.200115.1L71 C88 V92 K93E69-L71 VanDerWaalsContact C-N 3.26Å; E69-L71 PolarHBondContact O-N 2.75Å; E69-C88 HydrophobicContact CG-CB 4.18Å; E69-V92 WeakPolarHBondContact OE1-CA 3.43Å; E69-K93 PolarHBondContact N-O 2.87Å; E69-K93 WeakPolarHBondContact OE1-CB 3.29Å; E69-K93 PolarHBondContact OE1-N 3.41Å
70N89.3Confident93.7Very high95 Ų9532.3 Ų32.351%0.50817%0.171SC..THydrogen-bonded Turntrans69.511.9-173.5-40.8-88.3000115.5E67 V68 K95E67-N70 WeakPolarHBondContact OE2-CA 3.34Å; V68-N70 PolarHBondContact O-N 3.06Å; V68-N70 VanDerWaalsContact O-N 3.09Å; N70-K95 PolarHBondContact OD1-NZ 3.13Å; N70-K95 VanDerWaalsContact OD1-NZ 3.11Å
71L91.9Very high93.8Very high99 Ų9930 Ų3052%0.51816%0.159SC..EExtended strand (participates in β ladder)trans-89.9124.2166.1-61167.5000108.7E67 V68 E69 I73 L84E67-L71 CarbonylContact C-O 3.54Å; E67-L71 WeakPolarHBondContact CA-O 3.28Å; V68-L71 PolarHBondContact N-O 3.43Å; V68-L71 WeakPolarHBondContact O-CB 3.36Å; V68-L71 PolarHBondContact O-N 2.77Å; E69-L71 VanDerWaalsContact C-N 3.26Å; E69-L71 PolarHBondContact O-N 2.75Å; L71-I73 PolarHBondContact O-N 3.36Å; L71-L84 HydrophobicContact CB-CD2 4.45Å; L71-L84 HydrophobicContact CD1-CD1 3.82Å; L71-L84 HydrophobicContact CD1-CD2 4.26Å
72S95Very high93.8Very high55 Ų5527.8 Ų27.839%0.38515%0.148SC..EExtended strand (participates in β ladder)trans-74.6115.6179.8-50.10000111.4T127 N131S72-T127 VanDerWaalsContact CB-CG2 3.49Å; S72-N131 PolarHBondContact O-ND2 2.67Å
73I95.2Very high93.9Very high2 Ų229.4 Ų29.41%0.0116%0.155CC..  trans-101.1-7.5-173.267.6119.4000114.4A42 L65 L66 V68 L71 G75 L76 V81 L84A42-I73 HydrophobicContact CB-CD1 3.77Å; L65-I73 HydrophobicContact CB-CD1 4Å; L65-I73 HydrophobicContact CD2-CD1 3.74Å; L65-I73 HydrophobicContact CD2-CG1 4.48Å; L65-I73 HydrophobicContact CG-CD1 3.65Å; L65-I73 HydrophobicContact CG-CG1 4.11Å; L65-I73 WeakPolarHBondContact O-CD1 3.5Å; L66-I73 PolarHBondContact O-N 3.06Å; V68-I73 HydrophobicContact CB-CG2 4.13Å; V68-I73 HydrophobicContact CG2-CG1 4.42Å; V68-I73 HydrophobicContact CG2-CG2 3.83Å; L71-I73 PolarHBondContact O-N 3.36Å; I73-G75 PolarHBondContact O-N 3.27Å; I73-L76 HydrophobicContact CB-CD1 3.98Å; I73-L76 HydrophobicContact CG2-CD1 4.09Å; I73-L76 WeakPolarHBondContact O-CB 3.21Å; I73-L76 WeakPolarHBondContact O-CG 3.42Å; I73-L76 PolarHBondContact O-N 3Å; I73-V81 HydrophobicContact CB-CG2 4.13Å; I73-V81 HydrophobicContact CD1-CB 4.47Å; I73-V81 HydrophobicContact CD1-CG1 3.85Å; I73-V81 HydrophobicContact CD1-CG2 3.7Å; I73-L84 HydrophobicContact CG2-CD2 3.8Å
74S95.9Very high93.7Very high3 Ų331.4 Ų31.42%0.02117%0.166CC..THydrogen-bonded Turntrans-56.1123.8177.3-59.80000110.7L124 I128 N131S74-L124 WeakPolarHBondContact OG-CD1 3.38Å; S74-I128 WeakPolarHBondContact O-CA 3.34Å; S74-N131 PolarHBondContact O-ND2 2.66Å
75G94.3Very high93.4Very high3 Ų332.1 Ų32.13%0.03117%0.169CC..THydrogen-bonded Turntrans88.91.5-175.300000115.7A36 I73A36-G75 WeakPolarHBondContact CB-O 3.39Å; I73-G75 PolarHBondContact O-N 3.27Å
76L95.3Very high93Very high24 Ų2438.2 Ų38.213%0.12620%0.196CC..  trans-81.8151.9168.9-66.4178.9000112.3A36 I73 V81 N131A36-L76 WeakPolarHBondContact CB-O 3.44Å; A36-L76 PolarHBondContact N-O 3.32Å; A36-L76 VanDerWaalsContact N-O 3.14Å; I73-L76 HydrophobicContact CB-CD1 3.98Å; I73-L76 HydrophobicContact CG2-CD1 4.09Å; I73-L76 WeakPolarHBondContact O-CB 3.21Å; I73-L76 WeakPolarHBondContact O-CG 3.42Å; I73-L76 PolarHBondContact O-N 3Å; L76-V81 HydrophobicContact CB-CG2 3.93Å; L76-V81 HydrophobicContact CD1-CG2 4.48Å; L76-N131 HydrophobicContact CD2-CB 3.78Å; L76-N131 HydrophobicContact CG-CB 4.11Å
77P95.4Very high92.7Very high0 Ų041.8 Ų41.80%022%0.215CC..  trans-61.4150.5165-20.432.4000112.8E37 Y79 D80 V81 H135 P187E37-P77 WeakPolarHBondContact OE2-CA 3.46Å; P77-Y79 VanDerWaalsContact C-N 3.27Å; P77-Y79 HydrophobicContact CB-CD1 3.82Å; P77-Y79 HydrophobicContact CB-CD2 4.27Å; P77-Y79 HydrophobicContact CB-CE1 3.41Å; P77-Y79 VanDerWaalsContact CB-CE1 3.41Å; P77-Y79 HydrophobicContact CB-CE2 3.88Å; P77-Y79 HydrophobicContact CB-CG 4.23Å; P77-Y79 VanDerWaalsContact CB-CZ 3.43Å; P77-Y79 HydrophobicContact CG-CE1 4.14Å; P77-Y79 HydrophobicContact CG-CE2 4.18Å; P77-Y79 PolarHBondContact O-N 3.09Å; P77-D80 WeakPolarHBondContact CD-OD2 3.41Å; P77-D80 WeakPolarHBondContact CG-OD2 3.29Å; P77-D80 PolarHBondContact O-N 3.19Å; P77-V81 PolarHBondContact O-N 3.19Å; P77-H135 HydrophobicContact CG-CB 4.14Å; P77-P187 HydrophobicContact CG-CB 3.82Å; P77-P187 HydrophobicContact CG-CG 4.2Å
78L94.4Very high92.3Very high22 Ų2240.2 Ų40.212%0.11521%0.209CC..Hα-helixtrans-62.1-33.5-178.5-170.763.8000112.9L32 E37 A42 D80 V81 Q82L32-L78 HydrophobicContact CB-CD1 4Å; E37-L78 WeakPolarHBondContact OE1-CB 3.11Å; E37-L78 PolarHBondContact OE1-N 3.41Å; E37-L78 PolarHBondContact OE2-N 3.28Å; A42-L78 HydrophobicContact CB-CD1 4.47Å; L78-D80 PolarHBondContact O-N 2.88Å; L78-V81 PolarHBondContact O-N 2.95Å; L78-Q82 HydrophobicContact CG-CG 4.47Å; L78-Q82 WeakPolarHBondContact O-CG 3.5Å; L78-Q82 PolarHBondContact O-N 2.99Å
79Y93.3Very high91.9Very high33 Ų3349.2 Ų49.213%0.12925%0.249CC..Hα-helixtrans-65.7-35.4178.856.7-104.5000112.7P77 T83 P188 P191P77-Y79 VanDerWaalsContact C-N 3.27Å; P77-Y79 HydrophobicContact CB-CD1 3.82Å; P77-Y79 HydrophobicContact CB-CD2 4.27Å; P77-Y79 HydrophobicContact CB-CE1 3.41Å; P77-Y79 VanDerWaalsContact CB-CE1 3.41Å; P77-Y79 HydrophobicContact CB-CE2 3.88Å; P77-Y79 HydrophobicContact CB-CG 4.23Å; P77-Y79 VanDerWaalsContact CB-CZ 3.43Å; P77-Y79 HydrophobicContact CG-CE1 4.14Å; P77-Y79 HydrophobicContact CG-CE2 4.18Å; P77-Y79 PolarHBondContact O-N 3.09Å; Y79-T83 WeakPolarHBondContact O-CB 3.35Å; Y79-T83 PolarHBondContact O-N 2.77Å; Y79-T83 PolarHBondContact O-OG1 2.77Å; Y79-P188 WeakPolarHBondContact CE1-O 3.19Å; Y79-P191 HydrophobicContact CD2-CB 4.13Å; Y79-P191 HydrophobicContact CD2-CG 4.43Å; Y79-P191 HydrophobicContact CE2-CB 3.88Å
80D93.4Very high91.6Very high28 Ų2849.4 Ų49.415%0.1526%0.257CS..Hα-helixtrans-71.6-39.8175.2-66.5-49.6000111.1P77 L78 Q82 T83 L84 H135P77-D80 WeakPolarHBondContact CD-OD2 3.41Å; P77-D80 WeakPolarHBondContact CG-OD2 3.29Å; P77-D80 PolarHBondContact O-N 3.19Å; L78-D80 PolarHBondContact O-N 2.88Å; D80-Q82 PolarHBondContact O-N 2.97Å; D80-T83 PolarHBondContact O-N 3.49Å; D80-L84 VanDerWaalsContact O-CB 3.31Å; D80-L84 WeakPolarHBondContact O-CB 3.27Å; D80-L84 PolarHBondContact O-N 3.31Å; D80-H135 IonicContact OD2-CD2 2.71Å; D80-H135 IonicContact OD2-CE1 2.98Å; D80-H135 IonicContact OD2-NE2 3.32Å; D80-H135 PolarHBondContact OD2-NE2 2.8Å
81V93.2Very high91.6Very high0 Ų047.2 Ų47.20%025%0.248CC..Hα-helixtrans-61.4-43.8174.6176.70000111.4L32 A42 L65 I73 L76 P77 L78 I85L32-V81 HydrophobicContact CD1-CG1 4.29Å; A42-V81 HydrophobicContact CB-CG1 4.5Å; A42-V81 HydrophobicContact CB-CG2 4.39Å; L65-V81 HydrophobicContact CD2-CG1 4Å; I73-V81 HydrophobicContact CB-CG2 4.13Å; I73-V81 HydrophobicContact CD1-CB 4.47Å; I73-V81 HydrophobicContact CD1-CG1 3.85Å; I73-V81 HydrophobicContact CD1-CG2 3.7Å; L76-V81 HydrophobicContact CB-CG2 3.93Å; L76-V81 HydrophobicContact CD1-CG2 4.48Å; P77-V81 PolarHBondContact O-N 3.19Å; L78-V81 PolarHBondContact O-N 2.95Å; V81-I85 HydrophobicContact CG1-CD1 4.13Å; V81-I85 WeakPolarHBondContact O-CB 3.31Å; V81-I85 WeakPolarHBondContact O-CG1 3.14Å; V81-I85 PolarHBondContact O-N 2.92Å
82Q91.1Very high91.5Very high76 Ų7642.5 Ų42.536%0.35522%0.223SC..Hα-helixtrans-64.9-42175.2-72.1-18019.200112L78 D80 I85 K86L78-Q82 HydrophobicContact CG-CG 4.47Å; L78-Q82 WeakPolarHBondContact O-CG 3.5Å; L78-Q82 PolarHBondContact O-N 2.99Å; D80-Q82 PolarHBondContact O-N 2.97Å; Q82-I85 PolarHBondContact O-N 3.16Å; Q82-K86 WeakPolarHBondContact O-CB 3.44Å; Q82-K86 WeakPolarHBondContact O-CG 3.48Å; Q82-K86 PolarHBondContact O-N 2.88Å
83T90.6Very high91.5Very high52 Ų5244 Ų4432%0.31922%0.223SC..Hα-helixtrans-66.8-43179.5-58.80000111.5Y79 D80 I85 K86 N87Y79-T83 WeakPolarHBondContact O-CB 3.35Å; Y79-T83 PolarHBondContact O-N 2.77Å; Y79-T83 PolarHBondContact O-OG1 2.77Å; D80-T83 PolarHBondContact O-N 3.49Å; T83-I85 PolarHBondContact O-N 2.8Å; T83-K86 PolarHBondContact O-N 3.1Å; T83-N87 WeakPolarHBondContact O-CB 3.3Å; T83-N87 PolarHBondContact O-N 2.79Å
84L91.4Very high91.5Very high44 Ų4444 Ų4423%0.2322%0.223CC..Hα-helixtrans-56.2-51.7172.5176.759.6000110.9V68 L71 I73 D80 K86 N87 C88V68-L84 HydrophobicContact CB-CD2 3.94Å; V68-L84 HydrophobicContact CB-CG 4.48Å; V68-L84 HydrophobicContact CG1-CD2 4.24Å; V68-L84 HydrophobicContact CG1-CG 4.23Å; L71-L84 HydrophobicContact CB-CD2 4.45Å; L71-L84 HydrophobicContact CD1-CD1 3.82Å; L71-L84 HydrophobicContact CD1-CD2 4.26Å; I73-L84 HydrophobicContact CG2-CD2 3.8Å; D80-L84 VanDerWaalsContact O-CB 3.31Å; D80-L84 WeakPolarHBondContact O-CB 3.27Å; D80-L84 PolarHBondContact O-N 3.31Å; L84-K86 VanDerWaalsContact C-N 3.32Å; L84-K86 PolarHBondContact O-N 3.43Å; L84-N87 CarbonylContact O-C 3.5Å; L84-N87 PolarHBondContact O-N 2.7Å; L84-C88 PolarHBondContact O-N 2.77Å; L84-C88 PolarHBondContact O-SG 2.89Å
85I90.2Very high91.5Very high14 Ų1445.6 Ų45.67%0.07223%0.229CC..Hα-helixtrans-61.3-38178.9-78171.8000112.1K22 L28 L32 L65 V68 V81 Q82 T83 N87 C88 L94K22-I85 WeakPolarHBondContact CE-O 3.43Å; K22-I85 PolarHBondContact NZ-O 2.83Å; L28-I85 HydrophobicContact CD1-CG2 3.5Å; L28-I85 VanDerWaalsContact CD1-CG2 3.5Å; L28-I85 HydrophobicContact CG-CG2 4.06Å; L32-I85 HydrophobicContact CD1-CD1 3.51Å; L65-I85 HydrophobicContact CD2-CD1 4.16Å; V68-I85 HydrophobicContact CG1-CG1 3.72Å; V68-I85 HydrophobicContact CG2-CD1 4Å; V68-I85 HydrophobicContact CG2-CG1 4.02Å; V81-I85 HydrophobicContact CG1-CD1 4.13Å; V81-I85 WeakPolarHBondContact O-CB 3.31Å; V81-I85 WeakPolarHBondContact O-CG1 3.14Å; V81-I85 PolarHBondContact O-N 2.92Å; Q82-I85 PolarHBondContact O-N 3.16Å; T83-I85 PolarHBondContact O-N 2.8Å; I85-N87 VanDerWaalsContact C-N 3.34Å; I85-C88 PolarHBondContact O-N 2.8Å; I85-L94 HydrophobicContact CD1-CD2 4.11Å; I85-L94 HydrophobicContact CG1-CD2 4.47Å
86K87.9Confident91.5Very high128 Ų12845.4 Ų45.456%0.55723%0.228SC*.Hα-helixtrans-63.9-36.1172.9-77175.2177.5-179.40112.5K22 Q82 T83 L84K22-K86 VanDerWaalsContact NZ-C 3.31Å; K22-K86 PolarHBondContact NZ-O 2.93Å; Q82-K86 WeakPolarHBondContact O-CB 3.44Å; Q82-K86 WeakPolarHBondContact O-CG 3.48Å; Q82-K86 PolarHBondContact O-N 2.88Å; T83-K86 PolarHBondContact O-N 3.1Å; L84-K86 VanDerWaalsContact C-N 3.32Å; L84-K86 PolarHBondContact O-N 3.43Å
87N87.6Confident91.5Very high87 Ų8744.3 Ų44.347%0.46522%0.222SC..Hα-helixtrans-84-19.6179.3-68.9-11.9000114.4T83 L84 I85T83-N87 WeakPolarHBondContact O-CB 3.3Å; T83-N87 PolarHBondContact O-N 2.79Å; L84-N87 CarbonylContact O-C 3.5Å; L84-N87 PolarHBondContact O-N 2.7Å; I85-N87 VanDerWaalsContact C-N 3.34Å
88C88.4Confident91.4Very high16 Ų1650.3 Ų50.311%0.10824%0.244CC..SBendtrans-61.8142.2175.1-70.20000112.6K22 E69 L84 I85 V92K22-C88 PolarHBondContact NZ-O 2.96Å; E69-C88 HydrophobicContact CG-CB 4.18Å; L84-C88 PolarHBondContact O-N 2.77Å; L84-C88 PolarHBondContact O-SG 2.89Å; I85-C88 PolarHBondContact O-N 2.8Å; C88-V92 HydrophobicContact CB-CB 4.37Å; C88-V92 HydrophobicContact CB-CG1 3.91Å; C88-V92 HydrophobicContact CB-CG2 3.63Å
89K85.8Confident91.2Very high189 Ų18951.9 Ų51.982%0.82226%0.256SS*.PPolyproline II helixtrans-71.6149.3173.7-65.6-179.5175.4177.10110.3P91K89-P91 CarbonylContact O-C 3.59Å
90S84Confident90.8Very high67 Ų6751.5 Ų51.547%0.46926%0.262SS..SBendtrans-82.2135.9178.7-171.40000110.7K22K22-S90 PolarHBondContact N-OG 3.03Å
91P88.2Confident90.1Very high50 Ų5057 Ų5733%0.32530%0.297SS..SBendcis-81.8147.5-3.335.2-35.2000112.8V20 R55 K89V20-P91 CarbonylContact O-C 3.54Å; V20-P91 WeakPolarHBondContact O-CA 3.39Å; R55-P91 HydrophobicContact CB-CB 4.39Å; R55-P91 HydrophobicContact CG-CB 3.77Å; R55-P91 HydrophobicContact CG-CG 4.01Å; K89-P91 CarbonylContact O-C 3.59Å
92V91.8Very high89.6Confident0 Ų061.4 Ų61.40%032%0.316CS..EExtended strand (participates in β ladder)trans-89.3127179.9-174.80000110.4S19 V20 K22 L28 V68 E69 C88 L94S19-V92 WeakPolarHBondContact CA-O 3.24Å; V20-V92 PolarHBondContact N-O 3.25Å; V20-V92 PolarHBondContact O-N 2.94Å; K22-V92 HydrophobicContact CD-CG2 4.47Å; L28-V92 HydrophobicContact CD1-CB 4.1Å; L28-V92 HydrophobicContact CD1-CG1 4.39Å; L28-V92 HydrophobicContact CD1-CG2 4.31Å; L28-V92 HydrophobicContact CD2-CB 4.16Å; L28-V92 HydrophobicContact CD2-CG2 3.94Å; V68-V92 HydrophobicContact CG1-CG1 3.84Å; E69-V92 WeakPolarHBondContact OE1-CA 3.43Å; C88-V92 HydrophobicContact CB-CB 4.37Å; C88-V92 HydrophobicContact CB-CG1 3.91Å; C88-V92 HydrophobicContact CB-CG2 3.63Å; V92-L94 HydrophobicContact CG1-CD2 4Å; V92-L94 HydrophobicContact CG1-CG 4.49Å
93K94.1Very high89.6Confident86 Ų8658 Ų5837%0.37430%0.3SS..EExtended strand (participates in β ladder)trans-86131.4174.5-64.1-175.8174.7-166.80111.5V68 E69V68-K93 CarbonylContact C-O 3.52Å; V68-K93 WeakPolarHBondContact CA-O 3.4Å; E69-K93 PolarHBondContact N-O 2.87Å; E69-K93 WeakPolarHBondContact OE1-CB 3.29Å; E69-K93 PolarHBondContact OE1-N 3.41Å
94L95.1Very high89.6Confident2 Ų257.5 Ų57.51%0.0130%0.296CS..EExtended strand (participates in β ladder)trans-130.1127.4-177.4-56.5173000108.7E17 C18 V20 L28 L59 L65 V68 I85 V92E17-L94 WeakPolarHBondContact CA-O 3.46Å; C18-L94 PolarHBondContact N-O 3.19Å; C18-L94 PolarHBondContact O-N 3.35Å; V20-L94 HydrophobicContact CG2-CD1 4.07Å; L28-L94 HydrophobicContact CD1-CD1 4.42Å; L59-L94 HydrophobicContact CD1-CD1 3.87Å; L59-L94 HydrophobicContact CD2-CB 4.4Å; L59-L94 HydrophobicContact CD2-CD1 4.2Å; L65-L94 HydrophobicContact CD1-CB 3.9Å; L65-L94 HydrophobicContact CD1-CD2 3.99Å; L65-L94 HydrophobicContact CD1-CG 4.45Å; V68-L94 HydrophobicContact CB-CD2 4.37Å; V68-L94 HydrophobicContact CG1-CD2 4.1Å; V68-L94 HydrophobicContact CG2-CD2 3.84Å; I85-L94 HydrophobicContact CD1-CD2 4.11Å; I85-L94 HydrophobicContact CG1-CD2 4.47Å; V92-L94 HydrophobicContact CG1-CD2 4Å; V92-L94 HydrophobicContact CG1-CG 4.49Å
95K95.4Very high89.7Confident36 Ų3658.3 Ų58.316%0.15730%0.297CS..EExtended strand (participates in β ladder)trans-105122.1168.5-62.4-175.3-163.9140.10109.5V15 E17 L66 E67 N70V15-K95 HydrophobicContact CG1-CB 4.1Å; E17-K95 HydrophobicContact CB-CG 4.22Å; E17-K95 HydrophobicContact CG-CG 3.97Å; E17-K95 WeakPolarHBondContact OE2-CE 3.19Å; L66-K95 PolarHBondContact N-O 2.85Å; E67-K95 HydrophobicContact CB-CB 4.11Å; E67-K95 HydrophobicContact CB-CD 4.48Å; E67-K95 HydrophobicContact CB-CG 4.44Å; E67-K95 PolarHBondContact N-O 3.29Å; E67-K95 PolarHBondContact O-N 2.64Å; E67-K95 IonicContact OE1-NZ 3.92Å; E67-K95 IonicContact OE2-NZ 3.16Å; E67-K95 PolarHBondContact OE2-NZ 3.46Å; N70-K95 PolarHBondContact OD1-NZ 3.13Å; N70-K95 VanDerWaalsContact OD1-NZ 3.11Å
96T95.1Very high89.9Confident0 Ų060.9 Ų60.90%031%0.311CS..EExtended strand (participates in β ladder)trans-126.8164.9-172.560.10000111.9V15 N16 I44 L59 L64 L65V15-T96 CarbonylContact C-O 3.51Å; V15-T96 VanDerWaalsContact CA-O 3.32Å; V15-T96 WeakPolarHBondContact CA-O 3.3Å; N16-T96 PolarHBondContact N-O 2.77Å; N16-T96 PolarHBondContact ND2-OG1 3.47Å; N16-T96 PolarHBondContact O-N 3.47Å; N16-T96 PolarHBondContact O-OG1 2.95Å; N16-T96 VanDerWaalsContact O-OG1 3.08Å; I44-T96 HydrophobicContact CD1-CG2 4.24Å; I44-T96 HydrophobicContact CG1-CG2 4.12Å; L59-T96 HydrophobicContact CD2-CG2 3.76Å; L64-T96 CarbonylContact O-C 3.47Å; L64-T96 WeakPolarHBondContact O-CA 3.31Å; L64-T96 WeakPolarHBondContact O-CB 3.36Å; L65-T96 HydrophobicContact CD1-CG2 3.71Å
97V95.2Very high90.2Very high0 Ų054.8 Ų54.80%029%0.285CS..EExtended strand (participates in β ladder)trans-149139.1175.3650000111.7W11 R14 V15 L64 L66 L103W11-V97 HydrophobicContact CB-CG2 4.23Å; R14-V97 HydrophobicContact CB-CG2 4.39Å; V15-V97 HydrophobicContact CG2-CB 4.49Å; L64-V97 HydrophobicContact CB-CG1 4.04Å; L64-V97 HydrophobicContact CD1-CG1 4.3Å; L64-V97 HydrophobicContact CG-CG1 4.47Å; L64-V97 PolarHBondContact N-O 3.06Å; L64-V97 PolarHBondContact O-N 3.17Å; L66-V97 HydrophobicContact CD1-CB 4.3Å; L66-V97 HydrophobicContact CD1-CG1 3.78Å; L66-V97 HydrophobicContact CD2-CG1 4.15Å; L66-V97 HydrophobicContact CG-CG1 4.04Å; V97-L103 HydrophobicContact CG1-CD2 3.81Å
98R92.5Very high90.5Very high126 Ų12654.1 Ų54.148%0.47528%0.278SS..  trans-66.4127.9173.9-61.9178.8-154.5-95-16.2110.1R14 N60 E63R14-R98 PolarHBondContact NH1-O 3.41Å; N60-R98 VanDerWaalsContact CG-NH1 3.29Å; N60-R98 PolarHBondContact ND2-NH2 3.02Å; N60-R98 PolarHBondContact OD1-NH1 2.68Å; N60-R98 PolarHBondContact OD1-NH2 3.31Å; E63-R98 HydrophobicContact CG-CG 3.75Å; E63-R98 WeakPolarHBondContact OE1-CG 3.48Å; E63-R98 IonicContact OE1-CZ 3.21Å; E63-R98 IonicContact OE1-NE 3.51Å; E63-R98 PolarHBondContact OE1-NE 3.48Å; E63-R98 IonicContact OE1-NH1 2.74Å; E63-R98 IonicContact OE1-NH2 3.86Å; E63-R98 PolarHBondContact OE1-NH2 3.02Å
99P90.3Very high90.6Very high56 Ų5657 Ų5736%0.36429%0.29SS..  trans-47.9145.8173.4-27.332.5000112.2G62 L64G62-P99 WeakPolarHBondContact O-CD 3.29Å; G62-P99 WeakPolarHBondContact O-CG 3.46Å; L64-P99 HydrophobicContact CD2-CG 3.89Å; L64-P99 HydrophobicContact CG-CG 3.99Å
100G85.9Confident91Very high24 Ų2448 Ų4825%0.24725%0.25CS..  trans-143.9-172.417500000111.6K102 L103G100-K102 VanDerWaalsContact C-N 3.26Å; G100-K102 PolarHBondContact O-N 2.84Å; G100-L103 PolarHBondContact N-O 3.24Å; G100-L103 CarbonylContact O-C 3.46Å
101T78.2Confident91.5Very high145 Ų14545 Ų4589%0.8923%0.229SC*.SBendtrans-72.2-12.4-173.951.80000115.4
102K82.3Confident91.6Very high92 Ų9246.7 Ų46.740%0.424%0.242SC..SBendtrans-103.6-64.1173.2-84.2-175.5143.3-152.70111.1G100 N104 Y110 Q113 D121G100-K102 VanDerWaalsContact C-N 3.26Å; G100-K102 PolarHBondContact O-N 2.84Å; K102-N104 PolarHBondContact O-N 2.92Å; K102-Y110 WeakPolarHBondContact O-CD2 3.48Å; K102-Q113 PolarHBondContact O-NE2 2.89Å; K102-D121 IonicContact NZ-OD2 3.21Å; K102-D121 PolarHBondContact NZ-OD2 2.71Å
103L91.3Very high91.5Very high4 Ų448.5 Ų48.52%0.02125%0.25CS..SBendtrans-90.894.6176.7-18062.6000107.9W11 F41 L64 V97 G100 Y110 L124W11-L103 HydrophobicContact CB-CB 4.47Å; W11-L103 HydrophobicContact CB-CD2 4.03Å; W11-L103 HydrophobicContact CD2-CD2 3.6Å; W11-L103 HydrophobicContact CE3-CD2 3.91Å; W11-L103 HydrophobicContact CG-CB 4.27Å; W11-L103 HydrophobicContact CG-CD2 3.66Å; F41-L103 HydrophobicContact CE1-CD1 3.89Å; F41-L103 HydrophobicContact CE2-CD1 3.8Å; F41-L103 HydrophobicContact CZ-CD1 3.39Å; L64-L103 HydrophobicContact CD1-CD1 4.18Å; L64-L103 HydrophobicContact CD1-CD2 4.41Å; L64-L103 HydrophobicContact CD1-CG 3.81Å; V97-L103 HydrophobicContact CG1-CD2 3.81Å; G100-L103 PolarHBondContact N-O 3.24Å; G100-L103 CarbonylContact O-C 3.46Å; L103-Y110 HydrophobicContact CB-CD2 4.37Å; L103-Y110 HydrophobicContact CB-CE2 3.98Å; L103-Y110 HydrophobicContact CD1-CD1 4.39Å; L103-Y110 HydrophobicContact CD1-CD2 3.85Å; L103-Y110 HydrophobicContact CD1-CE1 4.29Å; L103-Y110 HydrophobicContact CD1-CE2 3.76Å; L103-Y110 HydrophobicContact CD1-CG 4.16Å; L103-Y110 HydrophobicContact CG-CE2 4.47Å; L103-L124 HydrophobicContact CD1-CD2 3.85Å; L103-L124 HydrophobicContact CD2-CD2 4.07Å
104N90.9Very high91.2Very high42 Ų4256.3 Ų56.323%0.22528%0.277CS..  trans-107.9-166.9177.367.66.7000109.8F41 L64 K102 D106 H109F41-N104 WeakPolarHBondContact CD2-O 3.1Å; L64-N104 VanDerWaalsContact CD1-O 3.28Å; L64-N104 WeakPolarHBondContact CD1-O 3.39Å; K102-N104 PolarHBondContact O-N 2.92Å; N104-D106 PolarHBondContact OD1-N 2.77Å; N104-D106 VanDerWaalsContact OD1-N 3.08Å; N104-D106 PolarHBondContact OD1-O 3.06Å; N104-H109 PolarHBondContact ND2-CD2 3.2Å
105K94.2Very high91Very high60 Ų6057.9 Ų57.926%0.26128%0.284SS..SBendtrans-75-24.4177.8-74.2-176.5172.3-170.60114.2E40 F41 Y43 L64 L107E40-K105 CarbonylContact C-O 3.53Å; E40-K105 WeakPolarHBondContact CA-O 3.35Å; E40-K105 WeakPolarHBondContact CB-O 3.46Å; F41-K105 PolarHBondContact N-O 3.42Å; Y43-K105 HydrophobicContact CD1-CD 3.9Å; Y43-K105 HydrophobicContact CD1-CG 4.29Å; Y43-K105 HydrophobicContact CE1-CD 3.87Å; Y43-K105 HydrophobicContact CG-CD 4.37Å; L64-K105 HydrophobicContact CD2-CB 4.42Å; L64-K105 HydrophobicContact CD2-CG 3.64Å; K105-L107 PolarHBondContact O-N 3.27Å
106D94.2Very high90.5Very high69 Ų6964 Ų6437%0.36931%0.313SS..BIsolated β-bridgetrans-82.6114.3-171.2176.6-10.8000110.7N104 K108 H109 Y110N104-D106 PolarHBondContact OD1-N 2.77Å; N104-D106 VanDerWaalsContact OD1-N 3.08Å; N104-D106 PolarHBondContact OD1-O 3.06Å; D106-K108 WeakPolarHBondContact OD1-CA 3.34Å; D106-K108 WeakPolarHBondContact OD1-CB 2.98Å; D106-K108 PolarHBondContact OD1-N 3.2Å; D106-H109 HydrophobicContact CB-CB 3.76Å; D106-H109 VanDerWaalsContact CG-CB 3.42Å; D106-H109 PolarHBondContact O-N 2.77Å; D106-H109 PolarHBondContact OD1-N 3.27Å; D106-H109 WeakPolarHBondContact OD2-CB 3.5Å; D106-Y110 PolarHBondContact O-N 3.33Å
107L94.7Very high89.9Confident0 Ų072.5 Ų72.50%035%0.35CS..Hα-helixtrans-70.7-33.1-177.5-160.565.2000111.5A36 G39 F41 K105 Y110 L111 I128 L172A36-L107 HydrophobicContact CB-CD2 4.13Å; G39-L107 WeakPolarHBondContact O-CB 3.22Å; G39-L107 PolarHBondContact O-N 2.99Å; F41-L107 HydrophobicContact CD1-CD1 4.33Å; F41-L107 HydrophobicContact CD2-CD1 3.87Å; F41-L107 HydrophobicContact CE1-CD1 4.12Å; F41-L107 HydrophobicContact CE2-CD1 3.64Å; F41-L107 HydrophobicContact CG-CD1 4.21Å; F41-L107 HydrophobicContact CZ-CD1 3.77Å; K105-L107 PolarHBondContact O-N 3.27Å; L107-Y110 PolarHBondContact O-N 3.18Å; L107-L111 HydrophobicContact CG-CD1 4.29Å; L107-L111 WeakPolarHBondContact O-CB 3.4Å; L107-L111 VanDerWaalsContact O-CG 3.32Å; L107-L111 WeakPolarHBondContact O-CG 3.42Å; L107-L111 PolarHBondContact O-N 3.18Å; L107-I128 HydrophobicContact CD1-CD1 3.8Å; L107-I128 HydrophobicContact CD1-CG1 4.07Å; L107-I128 HydrophobicContact CD1-CG2 3.76Å; L107-I128 HydrophobicContact CD2-CG2 4.14Å; L107-I128 HydrophobicContact CG-CG2 4.04Å; L107-L172 HydrophobicContact CD2-CD1 4.21Å
108K92.6Very high89.3Confident73 Ų7377.6 Ų77.632%0.31739%0.386SS..Hα-helixtrans-71-40.5176.2174.9166.5-169.3160.60111.3D106 Y110 S112 L171 L172D106-K108 WeakPolarHBondContact OD1-CA 3.34Å; D106-K108 WeakPolarHBondContact OD1-CB 2.98Å; D106-K108 PolarHBondContact OD1-N 3.2Å; K108-Y110 VanDerWaalsContact C-N 3.3Å; K108-Y110 PolarHBondContact O-N 2.76Å; K108-S112 WeakPolarHBondContact O-CB 3.48Å; K108-S112 PolarHBondContact O-N 2.84Å; K108-S112 PolarHBondContact O-OG 3.48Å; K108-L171 WeakPolarHBondContact CD-O 3.37Å; K108-L171 WeakPolarHBondContact CE-O 3.36Å; K108-L171 PolarHBondContact NZ-O 3.49Å; K108-L172 VanDerWaalsContact CA-O 3.31Å; K108-L172 WeakPolarHBondContact CA-O 3.42Å; K108-L172 WeakPolarHBondContact CB-O 3.29Å; K108-L172 WeakPolarHBondContact CG-O 3.48Å
109H91.8Very high89.2Confident77 Ų7772.5 Ų72.536%0.35637%0.37SS..Hα-helixtrans-63.3-36.4171.2-174.178.2000112.2N104 D106 S112 Q113N104-H109 PolarHBondContact ND2-CD2 3.2Å; D106-H109 HydrophobicContact CB-CB 3.76Å; D106-H109 VanDerWaalsContact CG-CB 3.42Å; D106-H109 PolarHBondContact O-N 2.77Å; D106-H109 PolarHBondContact OD1-N 3.27Å; D106-H109 WeakPolarHBondContact OD2-CB 3.5Å; H109-S112 PolarHBondContact O-OG 2.77Å; H109-S112 VanDerWaalsContact O-OG 3.12Å; H109-Q113 PolarHBondContact CD2-NE2 3.39Å; H109-Q113 VanDerWaalsContact CD2-NE2 3.31Å; H109-Q113 PolarHBondContact NE2-NE2 3.3Å; H109-Q113 WeakPolarHBondContact O-CG 3.35Å; H109-Q113 PolarHBondContact O-NE2 2.82Å; H109-Q113 VanDerWaalsContact O-NE2 3.12Å
110Y94.3Very high89.2Confident0 Ų072.3 Ų72.30%037%0.368CS..Hα-helixtrans-75.8-38.3178.2-164.4-105.9000113.4F41 K102 L103 D106 L107 K108 Q113 F115 D121 L124 Q125 I128F41-Y110 HydrophobicContact CE2-CD1 4.32Å; F41-Y110 HydrophobicContact CE2-CG 4.1Å; F41-Y110 AromaticContact CZ-CD1 3.78Å; F41-Y110 HydrophobicContact CZ-CD1 3.78Å; F41-Y110 HydrophobicContact CZ-CE1 4.39Å; F41-Y110 AromaticContact CZ-CG 3.99Å; F41-Y110 HydrophobicContact CZ-CG 3.99Å; K102-Y110 WeakPolarHBondContact O-CD2 3.48Å; L103-Y110 HydrophobicContact CB-CD2 4.37Å; L103-Y110 HydrophobicContact CB-CE2 3.98Å; L103-Y110 HydrophobicContact CD1-CD1 4.39Å; L103-Y110 HydrophobicContact CD1-CD2 3.85Å; L103-Y110 HydrophobicContact CD1-CE1 4.29Å; L103-Y110 HydrophobicContact CD1-CE2 3.76Å; L103-Y110 HydrophobicContact CD1-CG 4.16Å; L103-Y110 HydrophobicContact CG-CE2 4.47Å; D106-Y110 PolarHBondContact O-N 3.33Å; L107-Y110 PolarHBondContact O-N 3.18Å; K108-Y110 VanDerWaalsContact C-N 3.3Å; K108-Y110 PolarHBondContact O-N 2.76Å; Y110-Q113 PolarHBondContact O-N 3.34Å; Y110-F115 HydrophobicContact CD2-CE2 4.37Å; Y110-F115 HydrophobicContact CD2-CZ 4.18Å; Y110-F115 HydrophobicContact CE1-CE2 4.21Å; Y110-F115 AromaticContact CE2-CE2 3.87Å; Y110-F115 HydrophobicContact CE2-CE2 3.87Å; Y110-F115 AromaticContact CE2-CZ 3.6Å; Y110-F115 HydrophobicContact CE2-CZ 3.6Å; Y110-F115 AromaticContact CZ-CE2 3.78Å; Y110-F115 AromaticContact CZ-CZ 3.94Å; Y110-D121 WeakPolarHBondContact OH-CA 3.42Å; Y110-D121 WeakPolarHBondContact OH-CB 3.46Å; Y110-D121 PolarHBondContact OH-O 3Å; Y110-D121 PolarHBondContact OH-OD1 2.86Å; Y110-L124 HydrophobicContact CE1-CB 4.28Å; Y110-L124 HydrophobicContact CE1-CD2 3.86Å; Y110-L124 HydrophobicContact CE1-CG 3.91Å; Y110-Q125 HydrophobicContact CD1-CG 4.12Å; Y110-Q125 HydrophobicContact CE1-CG 3.89Å; Y110-Q125 PolarHBondContact O-NE2 3.35Å; Y110-I128 HydrophobicContact CD1-CD1 3.82Å; Y110-I128 HydrophobicContact CE1-CD1 4.19Å
111L93.2Very high89.6Confident4 Ų471.3 Ų71.32%0.02136%0.357CS..Hα-helixtrans-69.2-35.8176.6-74.1167.7000112.7L107 Q113 Q125 I128 R129 L132 L172 E173L107-L111 HydrophobicContact CG-CD1 4.29Å; L107-L111 WeakPolarHBondContact O-CB 3.4Å; L107-L111 VanDerWaalsContact O-CG 3.32Å; L107-L111 WeakPolarHBondContact O-CG 3.42Å; L107-L111 PolarHBondContact O-N 3.18Å; L111-Q113 PolarHBondContact O-N 2.91Å; L111-Q125 HydrophobicContact CD2-CG 4.44Å; L111-Q125 PolarHBondContact O-NE2 2.97Å; L111-Q125 VanDerWaalsContact O-NE2 3.15Å; L111-I128 HydrophobicContact CD1-CG2 3.99Å; L111-I128 HydrophobicContact CD2-CB 4.37Å; L111-I128 HydrophobicContact CD2-CG2 3.88Å; L111-I128 HydrophobicContact CG-CG2 4.17Å; L111-R129 HydrophobicContact CD2-CG 4.23Å; L111-L132 HydrophobicContact CD1-CD1 4.04Å; L111-L172 HydrophobicContact CD1-CB 4.24Å; L111-E173 HydrophobicContact CB-CB 4.34Å; L111-E173 HydrophobicContact CD1-CB 4.38Å
112S90Very high90.3Very high84 Ų8466.3 Ų66.359%0.58732%0.324SS*.THydrogen-bonded Turntrans-69.2-16.1177.359.60000114.7K108 H109K108-S112 WeakPolarHBondContact O-CB 3.48Å; K108-S112 PolarHBondContact O-N 2.84Å; K108-S112 PolarHBondContact O-OG 3.48Å; H109-S112 PolarHBondContact O-OG 2.77Å; H109-S112 VanDerWaalsContact O-OG 3.12Å
113Q89.9Confident90.8Very high39 Ų3967.1 Ų67.118%0.18233%0.329CS..SBendtrans-71.9137.9176.9-77.8172.371.600112.2K102 H109 Y110 L111 F115 Q125K102-Q113 PolarHBondContact O-NE2 2.89Å; H109-Q113 PolarHBondContact CD2-NE2 3.39Å; H109-Q113 VanDerWaalsContact CD2-NE2 3.31Å; H109-Q113 PolarHBondContact NE2-NE2 3.3Å; H109-Q113 WeakPolarHBondContact O-CG 3.35Å; H109-Q113 PolarHBondContact O-NE2 2.82Å; H109-Q113 VanDerWaalsContact O-NE2 3.12Å; Y110-Q113 PolarHBondContact O-N 3.34Å; L111-Q113 PolarHBondContact O-N 2.91Å; Q113-F115 HydrophobicContact CB-CD2 4.36Å; Q113-F115 HydrophobicContact CB-CE1 4.03Å; Q113-F115 HydrophobicContact CB-CE2 3.6Å; Q113-F115 HydrophobicContact CB-CZ 3.42Å; Q113-F115 VanDerWaalsContact CB-CZ 3.42Å; Q113-F115 HydrophobicContact CG-CZ 4.19Å; Q113-Q125 PolarHBondContact O-NE2 2.82Å
114R88Confident91Very high250 Ų25067.6 Ų67.694%0.94333%0.331SS*.  trans-93.5110175.2-67.2-173178.5-165.7-0.9111
115F90.9Very high91.2Very high34 Ų3466 Ų6615%0.14932%0.323CS..PPolyproline II helixtrans-103.1162.9175.7-56.5-66.2000112.3Y110 Q113 D121 H122 Q125Y110-F115 HydrophobicContact CD2-CE2 4.37Å; Y110-F115 HydrophobicContact CD2-CZ 4.18Å; Y110-F115 HydrophobicContact CE1-CE2 4.21Å; Y110-F115 AromaticContact CE2-CE2 3.87Å; Y110-F115 HydrophobicContact CE2-CE2 3.87Å; Y110-F115 AromaticContact CE2-CZ 3.6Å; Y110-F115 HydrophobicContact CE2-CZ 3.6Å; Y110-F115 AromaticContact CZ-CE2 3.78Å; Y110-F115 AromaticContact CZ-CZ 3.94Å; Q113-F115 HydrophobicContact CB-CD2 4.36Å; Q113-F115 HydrophobicContact CB-CE1 4.03Å; Q113-F115 HydrophobicContact CB-CE2 3.6Å; Q113-F115 HydrophobicContact CB-CZ 3.42Å; Q113-F115 VanDerWaalsContact CB-CZ 3.42Å; Q113-F115 HydrophobicContact CG-CZ 4.19Å; F115-D121 HydrophobicContact CB-CB 3.85Å; F115-D121 HydrophobicContact CD1-CB 3.37Å; F115-D121 WeakPolarHBondContact CD1-OD2 3.19Å; F115-D121 HydrophobicContact CD2-CB 3.59Å; F115-D121 HydrophobicContact CE1-CB 3.69Å; F115-D121 VanDerWaalsContact CE1-CG 3.45Å; F115-D121 VanDerWaalsContact CE1-OD2 3.32Å; F115-D121 WeakPolarHBondContact CE1-OD2 3.46Å; F115-D121 HydrophobicContact CE2-CB 3.88Å; F115-D121 HydrophobicContact CG-CB 3.31Å; F115-D121 HydrophobicContact CZ-CB 3.91Å; F115-H122 HydrophobicContact CB-CB 4.25Å; F115-Q125 VanDerWaalsContact CD2-CD 3.48Å; F115-Q125 HydrophobicContact CD2-CG 4.03Å; F115-Q125 HydrophobicContact CE2-CG 4.08Å
116Q84.3Confident91.1Very high164 Ų16466.7 Ų66.777%0.76633%0.327SS*.PPolyproline II helixtrans-71.8139.9173.9-69.4177-2700109.7S119 H122Q116-S119 VanDerWaalsContact O-CB 3.32Å; Q116-S119 WeakPolarHBondContact O-CB 3.42Å; Q116-S119 PolarHBondContact O-N 3.12Å; Q116-S119 VanDerWaalsContact O-N 3.17Å; Q116-S119 PolarHBondContact O-OG 3.13Å; Q116-H122 VanDerWaalsContact O-CB 3.29Å; Q116-H122 WeakPolarHBondContact O-CB 3.42Å
117K83.6Confident91.2Very high179 Ų17965.1 Ų65.178%0.77832%0.32SS*.THydrogen-bonded Turntrans-55.9145170.3-65.7-172.6177.1-1730109.5S119K117-S119 PolarHBondContact O-N 2.72Å
118S81.8Confident91.2Very high107 Ų10765.1 Ų65.175%0.74832%0.32SS*.THydrogen-bonded Turntrans49.337.3-170.375.70000115.2
119S91Very high91.3Very high20 Ų2063 Ų6314%0.1431%0.31CS..SBendtrans-101.8153161.366.70000109.8Q116 K117 D121 H122 E123Q116-S119 VanDerWaalsContact O-CB 3.32Å; Q116-S119 WeakPolarHBondContact O-CB 3.42Å; Q116-S119 PolarHBondContact O-N 3.12Å; Q116-S119 VanDerWaalsContact O-N 3.17Å; Q116-S119 PolarHBondContact O-OG 3.13Å; K117-S119 PolarHBondContact O-N 2.72Å; S119-D121 PolarHBondContact O-N 2.77Å; S119-D121 VanDerWaalsContact O-N 3.17Å; S119-H122 WeakPolarHBondContact O-CA 3.38Å; S119-H122 WeakPolarHBondContact O-CB 3.49Å; S119-H122 PolarHBondContact O-N 3.3Å; S119-H122 PolarHBondContact OG-N 3.22Å; S119-E123 PolarHBondContact O-N 2.87Å
120P90.4Very high91.3Very high51 Ų5165 Ų6533%0.33132%0.319SS..Hα-helixtrans-61.1-27.5179.4-24.534.5000113.4W11 T12 H122 L124W11-P120 HydrophobicContact CZ2-CB 4.19Å; T12-P120 HydrophobicContact CG2-CB 3.69Å; T12-P120 HydrophobicContact CG2-CG 4.24Å; P120-H122 VanDerWaalsContact C-N 3.35Å; P120-L124 WeakPolarHBondContact O-CB 3.4Å; P120-L124 PolarHBondContact O-N 2.86Å
121D93.4Very high91.3Very high4 Ų465.6 Ų65.62%0.02132%0.322CS..Hα-helixtrans-62.8-41.5171.3-79.6-41.6000111.5H10 W11 K102 Y110 F115 S119 Q125H10-D121 IonicContact NE2-OD2 3.25Å; W11-D121 PolarHBondContact NE1-OD1 3.45Å; K102-D121 IonicContact NZ-OD2 3.21Å; K102-D121 PolarHBondContact NZ-OD2 2.71Å; Y110-D121 WeakPolarHBondContact OH-CA 3.42Å; Y110-D121 WeakPolarHBondContact OH-CB 3.46Å; Y110-D121 PolarHBondContact OH-O 3Å; Y110-D121 PolarHBondContact OH-OD1 2.86Å; F115-D121 HydrophobicContact CB-CB 3.85Å; F115-D121 HydrophobicContact CD1-CB 3.37Å; F115-D121 WeakPolarHBondContact CD1-OD2 3.19Å; F115-D121 HydrophobicContact CD2-CB 3.59Å; F115-D121 HydrophobicContact CE1-CB 3.69Å; F115-D121 VanDerWaalsContact CE1-CG 3.45Å; F115-D121 VanDerWaalsContact CE1-OD2 3.32Å; F115-D121 WeakPolarHBondContact CE1-OD2 3.46Å; F115-D121 HydrophobicContact CE2-CB 3.88Å; F115-D121 HydrophobicContact CG-CB 3.31Å; F115-D121 HydrophobicContact CZ-CB 3.91Å; S119-D121 PolarHBondContact O-N 2.77Å; S119-D121 VanDerWaalsContact O-N 3.17Å; D121-Q125 PolarHBondContact O-N 2.7Å
122H93Very high91.4Very high39 Ų3965.4 Ų65.418%0.18132%0.321CS..Hα-helixtrans-72.3-38177.8-17766000112.4F115 Q116 S119 P120 L124 Q125 Q126F115-H122 HydrophobicContact CB-CB 4.25Å; Q116-H122 VanDerWaalsContact O-CB 3.29Å; Q116-H122 WeakPolarHBondContact O-CB 3.42Å; S119-H122 WeakPolarHBondContact O-CA 3.38Å; S119-H122 WeakPolarHBondContact O-CB 3.49Å; S119-H122 PolarHBondContact O-N 3.3Å; S119-H122 PolarHBondContact OG-N 3.22Å; P120-H122 VanDerWaalsContact C-N 3.35Å; H122-L124 VanDerWaalsContact C-N 3.34Å; H122-Q125 WeakPolarHBondContact O-CB 3.45Å; H122-Q125 PolarHBondContact O-N 2.76Å; H122-Q126 PolarHBondContact CE1-NE2 3.27Å; H122-Q126 PolarHBondContact NE2-NE2 2.91Å; H122-Q126 WeakPolarHBondContact O-CG 3.47Å; H122-Q126 PolarHBondContact O-N 2.97Å
123E93.6Very high91.4Very high109 Ų10966.3 Ų66.351%0.50931%0.313SS..Hα-helixtrans-61.8-41.9174.5-68.4165.8177.100111.5S119 Q126 T127S119-E123 PolarHBondContact O-N 2.87Å; E123-Q126 PolarHBondContact O-N 3.08Å; E123-T127 PolarHBondContact O-N 2.85Å; E123-T127 PolarHBondContact O-OG1 3.42Å
124L94.8Very high91.3Very high14 Ų1471.7 Ų71.77%0.07333%0.331CS..Hα-helixtrans-64.7-41.1173.1-178.556.8000111.9W11 F41 S74 L103 Y110 P120 H122 Q126 T127 I128W11-L124 HydrophobicContact CH2-CB 4.4Å; W11-L124 HydrophobicContact CH2-CD2 3.89Å; W11-L124 HydrophobicContact CZ2-CB 4.13Å; W11-L124 HydrophobicContact CZ2-CD2 3.7Å; F41-L124 HydrophobicContact CE1-CD2 4.43Å; S74-L124 WeakPolarHBondContact OG-CD1 3.38Å; L103-L124 HydrophobicContact CD1-CD2 3.85Å; L103-L124 HydrophobicContact CD2-CD2 4.07Å; Y110-L124 HydrophobicContact CE1-CB 4.28Å; Y110-L124 HydrophobicContact CE1-CD2 3.86Å; Y110-L124 HydrophobicContact CE1-CG 3.91Å; P120-L124 WeakPolarHBondContact O-CB 3.4Å; P120-L124 PolarHBondContact O-N 2.86Å; H122-L124 VanDerWaalsContact C-N 3.34Å; L124-Q126 PolarHBondContact O-N 3.2Å; L124-T127 WeakPolarHBondContact O-CB 3.34Å; L124-T127 PolarHBondContact O-N 3.07Å; L124-I128 HydrophobicContact CD1-CD1 4.34Å; L124-I128 HydrophobicContact CG-CD1 4.09Å; L124-I128 WeakPolarHBondContact O-CD1 3.48Å; L124-I128 VanDerWaalsContact O-CG1 3.26Å; L124-I128 WeakPolarHBondContact O-CG1 3.34Å; L124-I128 PolarHBondContact O-N 3.21Å
125Q94.8Very high91.3Very high8 Ų861.6 Ų61.64%0.03730%0.295CS..Hα-helixtrans-61-38.6173.1-81.9-168.4-19.900113.6Y110 L111 Q113 F115 D121 H122 I128 R129Y110-Q125 HydrophobicContact CD1-CG 4.12Å; Y110-Q125 HydrophobicContact CE1-CG 3.89Å; Y110-Q125 PolarHBondContact O-NE2 3.35Å; L111-Q125 HydrophobicContact CD2-CG 4.44Å; L111-Q125 PolarHBondContact O-NE2 2.97Å; L111-Q125 VanDerWaalsContact O-NE2 3.15Å; Q113-Q125 PolarHBondContact O-NE2 2.82Å; F115-Q125 VanDerWaalsContact CD2-CD 3.48Å; F115-Q125 HydrophobicContact CD2-CG 4.03Å; F115-Q125 HydrophobicContact CE2-CG 4.08Å; D121-Q125 PolarHBondContact O-N 2.7Å; H122-Q125 WeakPolarHBondContact O-CB 3.45Å; H122-Q125 PolarHBondContact O-N 2.76Å; Q125-I128 PolarHBondContact O-N 3.38Å; Q125-R129 PolarHBondContact O-N 2.8Å; Q125-R129 VanDerWaalsContact O-N 3.17Å
126Q93.4Very high91.2Very high76 Ų7660.4 Ų60.436%0.35529%0.291SS..Hα-helixtrans-68.3-43175.7-61.6-62.926.500111.3H122 E123 L124 I128 R129 E130H122-Q126 PolarHBondContact CE1-NE2 3.27Å; H122-Q126 PolarHBondContact NE2-NE2 2.91Å; H122-Q126 WeakPolarHBondContact O-CG 3.47Å; H122-Q126 PolarHBondContact O-N 2.97Å; E123-Q126 PolarHBondContact O-N 3.08Å; L124-Q126 PolarHBondContact O-N 3.2Å; Q126-I128 PolarHBondContact O-N 2.99Å; Q126-R129 PolarHBondContact O-N 2.93Å; Q126-R129 VanDerWaalsContact O-N 3.08Å; Q126-E130 WeakPolarHBondContact O-CG 3.17Å; Q126-E130 PolarHBondContact O-N 3.03Å
127T94.8Very high91.6Very high35 Ų3553.9 Ų53.922%0.21526%0.263CS..Hα-helixtrans-53.9-43.2174-59.80000111.7S72 E123 L124 E130 N131S72-T127 VanDerWaalsContact CB-CG2 3.49Å; E123-T127 PolarHBondContact O-N 2.85Å; E123-T127 PolarHBondContact O-OG1 3.42Å; L124-T127 WeakPolarHBondContact O-CB 3.34Å; L124-T127 PolarHBondContact O-N 3.07Å; T127-E130 PolarHBondContact O-N 2.88Å; T127-N131 WeakPolarHBondContact O-CB 3.42Å; T127-N131 PolarHBondContact O-N 3.16Å; T127-N131 VanDerWaalsContact O-N 3.11Å
128I95.7Very high92.1Very high0 Ų046.3 Ų46.30%023%0.231CC..Hα-helixtrans-62.2-47.7176.6-69.4158.8000111F41 S74 L107 Y110 L111 L124 Q125 Q126 N131 L132F41-I128 HydrophobicContact CE1-CD1 3.81Å; F41-I128 HydrophobicContact CE1-CG1 4.47Å; F41-I128 HydrophobicContact CZ-CD1 3.61Å; S74-I128 WeakPolarHBondContact O-CA 3.34Å; L107-I128 HydrophobicContact CD1-CD1 3.8Å; L107-I128 HydrophobicContact CD1-CG1 4.07Å; L107-I128 HydrophobicContact CD1-CG2 3.76Å; L107-I128 HydrophobicContact CD2-CG2 4.14Å; L107-I128 HydrophobicContact CG-CG2 4.04Å; Y110-I128 HydrophobicContact CD1-CD1 3.82Å; Y110-I128 HydrophobicContact CE1-CD1 4.19Å; L111-I128 HydrophobicContact CD1-CG2 3.99Å; L111-I128 HydrophobicContact CD2-CB 4.37Å; L111-I128 HydrophobicContact CD2-CG2 3.88Å; L111-I128 HydrophobicContact CG-CG2 4.17Å; L124-I128 HydrophobicContact CD1-CD1 4.34Å; L124-I128 HydrophobicContact CG-CD1 4.09Å; L124-I128 WeakPolarHBondContact O-CD1 3.48Å; L124-I128 VanDerWaalsContact O-CG1 3.26Å; L124-I128 WeakPolarHBondContact O-CG1 3.34Å; L124-I128 PolarHBondContact O-N 3.21Å; Q125-I128 PolarHBondContact O-N 3.38Å; Q126-I128 PolarHBondContact O-N 2.99Å; I128-N131 PolarHBondContact O-N 3.31Å; I128-L132 HydrophobicContact CG2-CD1 3.75Å; I128-L132 HydrophobicContact CG2-CG 4.3Å; I128-L132 WeakPolarHBondContact O-CB 3.43Å; I128-L132 VanDerWaalsContact O-CG 3.27Å; I128-L132 WeakPolarHBondContact O-CG 3.49Å; I128-L132 PolarHBondContact O-N 2.94Å
129R94.4Very high92.7Very high30 Ų3041.2 Ų41.211%0.11320%0.196CC..Hα-helixtrans-63.6-43.3178.1-68.7-177.5-171.497.44.5112.4L111 Q125 Q126 N131 L132 Y133 E173L111-R129 HydrophobicContact CD2-CG 4.23Å; Q125-R129 PolarHBondContact O-N 2.8Å; Q125-R129 VanDerWaalsContact O-N 3.17Å; Q126-R129 PolarHBondContact O-N 2.93Å; Q126-R129 VanDerWaalsContact O-N 3.08Å; R129-N131 PolarHBondContact O-N 3.05Å; R129-L132 PolarHBondContact O-N 3.36Å; R129-Y133 HydrophobicContact CB-CD2 4.4Å; R129-Y133 HydrophobicContact CB-CE2 3.86Å; R129-Y133 WeakPolarHBondContact O-CB 3.42Å; R129-Y133 VanDerWaalsContact O-CD2 3.28Å; R129-Y133 WeakPolarHBondContact O-CD2 3.48Å; R129-Y133 PolarHBondContact O-N 2.79Å; R129-E173 IonicContact CZ-OE1 3.27Å; R129-E173 IonicContact CZ-OE2 3.65Å; R129-E173 VanDerWaalsContact CZ-OE2 3.28Å; R129-E173 IonicContact NE-OE1 2.7Å; R129-E173 IonicContact NE-OE2 3.76Å; R129-E173 PolarHBondContact NE-OE2 3.48Å; R129-E173 VanDerWaalsContact NH2-CD 3.26Å; R129-E173 IonicContact NH2-OE1 2.71Å; R129-E173 PolarHBondContact NH2-OE1 3.35Å; R129-E173 IonicContact NH2-OE2 2.76Å; R129-E173 PolarHBondContact NH2-OE2 3.36Å
130E92.8Very high92.9Very high119 Ų11940.2 Ų40.256%0.55619%0.189SC*.Hα-helixtrans-62.3-28.5177-74.4179.2-150.200113.9Q126 T127 R134Q126-E130 WeakPolarHBondContact O-CG 3.17Å; Q126-E130 PolarHBondContact O-N 3.03Å; T127-E130 PolarHBondContact O-N 2.88Å; E130-R134 WeakPolarHBondContact O-CG 3.27Å; E130-R134 PolarHBondContact O-NE 2.82Å
131N94.1Very high93.2Very high12 Ų1238.9 Ų38.96%0.06418%0.18CC..Hα-helixtrans-84.9-35.9174-81.1-25.5000112.3S72 S74 L76 T127 I128 R129 H135S72-N131 PolarHBondContact O-ND2 2.67Å; S74-N131 PolarHBondContact O-ND2 2.66Å; L76-N131 HydrophobicContact CD2-CB 3.78Å; L76-N131 HydrophobicContact CG-CB 4.11Å; T127-N131 WeakPolarHBondContact O-CB 3.42Å; T127-N131 PolarHBondContact O-N 3.16Å; T127-N131 VanDerWaalsContact O-N 3.11Å; I128-N131 PolarHBondContact O-N 3.31Å; R129-N131 PolarHBondContact O-N 3.05Å; N131-H135 PolarHBondContact O-CE1 2.8Å; N131-H135 PolarHBondContact O-ND1 2.87Å
132L93.8Very high93.2Very high0 Ų039.7 Ų39.70%018%0.183CC..Hα-helixtrans-63.9-47.4174-74.4171.6000111.9A36 L111 I128 R129 R134 H135 A136 L172 T184 P187A36-L132 HydrophobicContact CB-CD2 3.8Å; L111-L132 HydrophobicContact CD1-CD1 4.04Å; I128-L132 HydrophobicContact CG2-CD1 3.75Å; I128-L132 HydrophobicContact CG2-CG 4.3Å; I128-L132 WeakPolarHBondContact O-CB 3.43Å; I128-L132 VanDerWaalsContact O-CG 3.27Å; I128-L132 WeakPolarHBondContact O-CG 3.49Å; I128-L132 PolarHBondContact O-N 2.94Å; R129-L132 PolarHBondContact O-N 3.36Å; L132-R134 PolarHBondContact O-N 3.28Å; L132-H135 PolarHBondContact O-N 2.83Å; L132-A136 PolarHBondContact O-N 3.21Å; L132-L172 HydrophobicContact CD1-CD1 3.95Å; L132-L172 HydrophobicContact CD2-CD1 3.57Å; L132-L172 HydrophobicContact CG-CD1 4.45Å; L132-T184 HydrophobicContact CB-CG2 4.1Å; L132-T184 HydrophobicContact CD1-CG2 3.98Å; L132-P187 HydrophobicContact CD2-CG 3.79Å
133Y91.5Very high93Very high103 Ų10342.3 Ų42.340%0.40421%0.206SC..THydrogen-bonded Turntrans-67-2.6-177-59.4-27.2000115.1R129 A136 P138 T184R129-Y133 HydrophobicContact CB-CD2 4.4Å; R129-Y133 HydrophobicContact CB-CE2 3.86Å; R129-Y133 WeakPolarHBondContact O-CB 3.42Å; R129-Y133 VanDerWaalsContact O-CD2 3.28Å; R129-Y133 WeakPolarHBondContact O-CD2 3.48Å; R129-Y133 PolarHBondContact O-N 2.79Å; Y133-A136 WeakPolarHBondContact CA-O 3.49Å; Y133-P138 HydrophobicContact CD1-CB 4.5Å; Y133-P138 HydrophobicContact CD1-CG 4.4Å; Y133-P138 HydrophobicContact CE1-CB 4.07Å; Y133-P138 HydrophobicContact CE1-CG 4.32Å; Y133-T184 HydrophobicContact CD1-CG2 4.32Å; Y133-T184 HydrophobicContact CE1-CG2 3.91Å
134R88.1Confident92.9Very high151 Ų15140.4 Ų40.457%0.5720%0.202SC*.THydrogen-bonded Turntrans-86.9-20.6169.5-63.3171.3-165.3-1451.3113E130 L132E130-R134 WeakPolarHBondContact O-CG 3.27Å; E130-R134 PolarHBondContact O-NE 2.82Å; L132-R134 PolarHBondContact O-N 3.28Å
135H87.3Confident92.7Very high39 Ų3946.1 Ų46.118%0.18122%0.223CC..THydrogen-bonded Turntrans-126.5-15.9-170.4-49.9100.6000113.1P77 D80 N131 L132 P187 P188P77-H135 HydrophobicContact CG-CB 4.14Å; D80-H135 IonicContact OD2-CD2 2.71Å; D80-H135 IonicContact OD2-CE1 2.98Å; D80-H135 IonicContact OD2-NE2 3.32Å; D80-H135 PolarHBondContact OD2-NE2 2.8Å; N131-H135 PolarHBondContact O-CE1 2.8Å; N131-H135 PolarHBondContact O-ND1 2.87Å; L132-H135 PolarHBondContact O-N 2.83Å; H135-P187 HydrophobicContact CB-CB 3.88Å; H135-P187 HydrophobicContact CB-CG 4.07Å; H135-P188 WeakPolarHBondContact O-CD 3.07Å
136A89.6Confident92.2Very high9 Ų955 Ų557%0.07427%0.265CS..SBendtrans-137.8130179.200000110.2L132 Y133 P185 P187L132-A136 PolarHBondContact O-N 3.21Å; Y133-A136 WeakPolarHBondContact CA-O 3.49Å; A136-P185 HydrophobicContact CB-CG 4.28Å; A136-P185 VanDerWaalsContact CB-O 3.31Å; A136-P185 WeakPolarHBondContact CB-O 3.45Å; A136-P187 HydrophobicContact CB-CG 4.36Å
137V92.3Very high91.8Very high27 Ų2753.3 Ų53.316%0.16427%0.267CS..  trans-79.8127.7174.8-163.30000108.4G151 N155 P185 R225V137-G151 WeakPolarHBondContact CG2-O 3.44Å; V137-N155 WeakPolarHBondContact CB-OD1 3.45Å; V137-P185 WeakPolarHBondContact O-CD 3.35Å; V137-P185 WeakPolarHBondContact O-CG 3.37Å; V137-R225 VanDerWaalsContact CG2-NH1 3.35Å
138P94.1Very high91.5Very high19 Ų1953.4 Ų53.412%0.12327%0.265CS..  trans-63145.7173.328.3-34.5000109.9Y133 Y154 N155 G183Y133-P138 HydrophobicContact CD1-CB 4.5Å; Y133-P138 HydrophobicContact CD1-CG 4.4Å; Y133-P138 HydrophobicContact CE1-CB 4.07Å; Y133-P138 HydrophobicContact CE1-CG 4.32Å; P138-Y154 HydrophobicContact CB-CD1 3.9Å; P138-Y154 HydrophobicContact CB-CE1 3.95Å; P138-Y154 HydrophobicContact CG-CD1 3.77Å; P138-Y154 HydrophobicContact CG-CE1 3.86Å; P138-Y154 CarbonylContact O-C 3.57Å; P138-Y154 WeakPolarHBondContact O-CA 3.2Å; P138-N155 PolarHBondContact O-N 2.86Å; P138-G183 CarbonylContact C-O 3.59Å; P138-G183 VanDerWaalsContact CA-O 3.3Å; P138-G183 WeakPolarHBondContact CA-O 3.39Å
139C94.4Very high91Very high0 Ų055 Ų550%027%0.274CS..EExtended strand (participates in β ladder)trans-106150.5178.458.10000111.8N155 L157 F162 Y182 G183C139-N155 CarbonylContact C-O 3.59Å; C139-N155 WeakPolarHBondContact CA-O 3.37Å; C139-N155 HydrophobicContact CB-CB 3.98Å; C139-L157 HydrophobicContact CB-CD1 3.65Å; C139-L157 HydrophobicContact CB-CG 4.22Å; C139-F162 VanDerWaalsContact SG-CE2 3.5Å; C139-Y182 CarbonylContact O-C 3.39Å; C139-Y182 WeakPolarHBondContact O-CA 3.44Å; C139-G183 PolarHBondContact N-O 2.75Å; C139-G183 PolarHBondContact O-N 2.82Å
140T95.7Very high90.6Very high0 Ų057.7 Ų57.70%030%0.296CS..EExtended strand (participates in β ladder)trans-148.3153.6171.8-172.10000112R142 Y154 N155 F156 L157 Y181 Y182T140-R142 HydrophobicContact CG2-CB 4.2Å; T140-R142 PolarHBondContact OG1-N 2.98Å; T140-Y154 HydrophobicContact CG2-CD1 3.97Å; T140-Y154 HydrophobicContact CG2-CD2 4.41Å; T140-Y154 HydrophobicContact CG2-CG 3.82Å; T140-N155 PolarHBondContact N-O 2.79Å; T140-F156 HydrophobicContact CG2-CD1 3.52Å; T140-F156 HydrophobicContact CG2-CE1 3.65Å; T140-F156 WeakPolarHBondContact O-CA 3.39Å; T140-L157 PolarHBondContact O-N 2.93Å; T140-Y181 CarbonylContact C-O 3.59Å; T140-Y181 WeakPolarHBondContact CA-O 3.42Å; T140-Y181 WeakPolarHBondContact CB-O 3.21Å; T140-Y181 PolarHBondContact OG1-O 2.56Å; T140-Y182 HydrophobicContact CG2-CE1 4.27Å; T140-Y182 WeakPolarHBondContact OG1-CD1 3.32Å; T140-Y182 WeakPolarHBondContact OG1-CE1 3.2Å
141T95.2Very high90.1Very high22 Ų2253.2 Ų53.214%0.13528%0.282CS..SBendtrans-94.43.6172.370.10000113.2L157 V159 F162 Y181T141-L157 WeakPolarHBondContact CA-O 3.28Å; T141-V159 HydrophobicContact CG2-CB 4.49Å; T141-V159 HydrophobicContact CG2-CG2 4.08Å; T141-F162 HydrophobicContact CG2-CB 3.57Å; T141-F162 HydrophobicContact CG2-CD2 3.95Å; T141-F162 HydrophobicContact CG2-CG 3.85Å; T141-Y181 HydrophobicContact CG2-CD2 4.17Å; T141-Y181 HydrophobicContact CG2-CG 4.44Å; T141-Y181 PolarHBondContact N-O 2.83Å; T141-Y181 PolarHBondContact OG1-N 2.76Å
142R94.6Very high89.6Confident21 Ų2154.8 Ų54.88%0.07929%0.292CS..SBendtrans-75.1139.2173.2-174-176.145.779.7-11.9109.5T140 E148 F156 N180 Y182T140-R142 HydrophobicContact CG2-CB 4.2Å; T140-R142 PolarHBondContact OG1-N 2.98Å; R142-E148 IonicContact CZ-OE1 2.68Å; R142-E148 IonicContact CZ-OE2 2.78Å; R142-E148 VanDerWaalsContact CZ-OE2 3.32Å; R142-E148 IonicContact NH1-OE1 2.79Å; R142-E148 IonicContact NH1-OE2 3.67Å; R142-E148 PolarHBondContact NH1-OE2 3.06Å; R142-E148 VanDerWaalsContact NH2-CD 3.3Å; R142-E148 IonicContact NH2-OE1 3.66Å; R142-E148 PolarHBondContact NH2-OE1 2.69Å; R142-E148 IonicContact NH2-OE2 2.79Å; R142-E148 PolarHBondContact NH2-OE2 2.94Å; R142-F156 WeakPolarHBondContact O-CD1 3.35Å; R142-N180 VanDerWaalsContact CA-OD1 3.3Å; R142-N180 WeakPolarHBondContact CA-OD1 3.42Å; R142-N180 HydrophobicContact CB-CB 3.85Å; R142-Y182 WeakPolarHBondContact CD-OH 3.31Å; R142-Y182 PolarHBondContact NE-OH 3.02Å
143S89Confident89.3Confident95 Ų9555.5 Ų55.566%0.66430%0.296SS*.PPolyproline II helixtrans-54.4145.4167.9-44.10000111.8R145S143-R145 PolarHBondContact O-N 2.69Å
144P91.1Very high89.4Confident68 Ų6853.8 Ų53.844%0.44229%0.289SS..PPolyproline II helixtrans-53139.1172.3-20.929.3000111.6F156P144-F156 HydrophobicContact CB-CD2 4.26Å; P144-F156 HydrophobicContact CB-CE1 4.31Å; P144-F156 HydrophobicContact CB-CE2 3.87Å; P144-F156 HydrophobicContact CB-CZ 3.9Å; P144-F156 HydrophobicContact CG-CB 4.46Å; P144-F156 HydrophobicContact CG-CD1 4.18Å; P144-F156 HydrophobicContact CG-CD2 3.68Å; P144-F156 HydrophobicContact CG-CE1 4.31Å; P144-F156 HydrophobicContact CG-CE2 3.83Å; P144-F156 HydrophobicContact CG-CG 3.84Å; P144-F156 HydrophobicContact CG-CZ 4.14Å
145R90.2Very high89.6Confident135 Ų13549.1 Ų49.151%0.50928%0.275SS..PPolyproline II helixtrans-85.4164.4165.2-76.1160.3-179.3176.8-0.3109.4S143 G147 E148 E178S143-R145 PolarHBondContact O-N 2.69Å; R145-G147 PolarHBondContact O-N 2.94Å; R145-E148 HydrophobicContact CB-CG 4.12Å; R145-E148 WeakPolarHBondContact CB-OE2 3.3Å; R145-E148 PolarHBondContact N-OE2 2.83Å; R145-E148 PolarHBondContact O-N 2.81Å; R145-E148 VanDerWaalsContact O-N 3.08Å; R145-E178 IonicContact NH2-OE2 3.65Å
146E85.1Confident90Very high195 Ų19549.3 Ų49.391%0.91128%0.276SS*.SBendtrans-54.9139.2170.8-171.4157.9-142.600110.9E148E146-E148 VanDerWaalsContact C-N 3.33Å; E146-E148 PolarHBondContact O-N 3.45Å
147G83.1Confident90.2Very high39 Ų3951 Ų5140%0.40228%0.284SS..SBendtrans86-58.5-164.800000113.6R145 V149 Y229R145-G147 PolarHBondContact O-N 2.94Å; G147-V149 PolarHBondContact O-N 3.14Å; G147-Y229 VanDerWaalsContact C-OH 3.24Å; G147-Y229 WeakPolarHBondContact O-CE1 3.41Å; G147-Y229 PolarHBondContact O-OH 3.47Å
148E88.6Confident90.2Very high38 Ų3852.4 Ų52.418%0.17829%0.294CS..PPolyproline II helixtrans-53.4117.9-163.7-64.1-177.2143.800114.4R142 R145 E146 D153 F156 Y229R142-E148 IonicContact CZ-OE1 2.68Å; R142-E148 IonicContact CZ-OE2 2.78Å; R142-E148 VanDerWaalsContact CZ-OE2 3.32Å; R142-E148 IonicContact NH1-OE1 2.79Å; R142-E148 IonicContact NH1-OE2 3.67Å; R142-E148 PolarHBondContact NH1-OE2 3.06Å; R142-E148 VanDerWaalsContact NH2-CD 3.3Å; R142-E148 IonicContact NH2-OE1 3.66Å; R142-E148 PolarHBondContact NH2-OE1 2.69Å; R142-E148 IonicContact NH2-OE2 2.79Å; R142-E148 PolarHBondContact NH2-OE2 2.94Å; R145-E148 HydrophobicContact CB-CG 4.12Å; R145-E148 WeakPolarHBondContact CB-OE2 3.3Å; R145-E148 PolarHBondContact N-OE2 2.83Å; R145-E148 PolarHBondContact O-N 2.81Å; R145-E148 VanDerWaalsContact O-N 3.08Å; E146-E148 VanDerWaalsContact C-N 3.33Å; E146-E148 PolarHBondContact O-N 3.45Å; E148-D153 HydrophobicContact CB-CB 4.32Å; E148-F156 HydrophobicContact CB-CE2 4.35Å; E148-F156 HydrophobicContact CB-CZ 3.9Å; E148-Y229 WeakPolarHBondContact CA-OH 3.31Å
149V86.1Confident90Very high32 Ų3254.8 Ų54.819%0.19431%0.308CS..PPolyproline II helixtrans-91122.9-176.5177.10000110.8G147 V152 D153 Y229 M232G147-V149 PolarHBondContact O-N 3.14Å; V149-V152 HydrophobicContact CB-CB 3.9Å; V149-V152 HydrophobicContact CB-CG2 4.21Å; V149-V152 HydrophobicContact CG1-CB 3.88Å; V149-V152 HydrophobicContact CG1-CG2 3.62Å; V149-V152 PolarHBondContact O-N 2.71Å; V149-D153 PolarHBondContact N-OD2 2.8Å; V149-D153 PolarHBondContact O-N 3.46Å; V149-Y229 HydrophobicContact CG2-CE1 4.46Å; V149-M232 HydrophobicContact CG1-CE 4.38Å; V149-M232 HydrophobicContact CG1-SD 3.99Å
150P85.8Confident89.9Confident87 Ų8758.8 Ų58.857%0.56533%0.327SS*.BIsolated β-bridgetrans-56.9137.1176.3-26.235.4000113.2V152 F156P150-V152 PolarHBondContact O-N 2.87Å; P150-V152 VanDerWaalsContact O-N 3.11Å; P150-F156 HydrophobicContact CB-CD2 3.88Å; P150-F156 HydrophobicContact CB-CE2 4.42Å; P150-F156 HydrophobicContact CG-CD2 3.92Å; P150-F156 HydrophobicContact CG-CE2 4.24Å
151G82.9Confident89.7Confident25 Ų2562.7 Ų62.726%0.25835%0.348SS..THydrogen-bonded Turntrans73.7-11.5-175.200000114.5V137 Y154 N155 R225V137-G151 WeakPolarHBondContact CG2-O 3.44Å; G151-Y154 PolarHBondContact N-O 2.87Å; G151-N155 WeakPolarHBondContact CA-OD1 3.41Å; G151-R225 PolarHBondContact O-NH1 3.32Å; G151-R225 PolarHBondContact O-NH2 3.08Å
152V83.5Confident89.7Confident45 Ų4561.7 Ų61.727%0.27334%0.342SS..THydrogen-bonded Turntrans-103.2-55.9178.8178.90000111.6V149 P150 R225V149-V152 HydrophobicContact CB-CB 3.9Å; V149-V152 HydrophobicContact CB-CG2 4.21Å; V149-V152 HydrophobicContact CG1-CB 3.88Å; V149-V152 HydrophobicContact CG1-CG2 3.62Å; V149-V152 PolarHBondContact O-N 2.71Å; P150-V152 PolarHBondContact O-N 2.87Å; P150-V152 VanDerWaalsContact O-N 3.11Å; V152-R225 VanDerWaalsContact CA-NH1 3.3Å; V152-R225 PolarHBondContact O-NH1 2.76Å
153D86.3Confident89.5Confident16 Ų1663.7 Ų63.79%0.08635%0.354CS..THydrogen-bonded Turntrans-86.2-48.8178-72.8-64.5000111.8E148 V149 K227 Y229E148-D153 HydrophobicContact CB-CB 4.32Å; V149-D153 PolarHBondContact N-OD2 2.8Å; V149-D153 PolarHBondContact O-N 3.46Å; D153-K227 VanDerWaalsContact OD1-CE 3.29Å; D153-K227 WeakPolarHBondContact OD1-CE 3.45Å; D153-K227 IonicContact OD1-NZ 3.23Å; D153-K227 PolarHBondContact OD1-NZ 3.03Å; D153-Y229 PolarHBondContact OD2-OH 2.84Å
154Y93.5Very high89.6Confident66 Ų6662.7 Ų62.726%0.25934%0.344SS..BIsolated β-bridgetrans-142.1151.3169.7-68.8-88.5000111P138 T140 G151 F156 Y182P138-Y154 HydrophobicContact CB-CD1 3.9Å; P138-Y154 HydrophobicContact CB-CE1 3.95Å; P138-Y154 HydrophobicContact CG-CD1 3.77Å; P138-Y154 HydrophobicContact CG-CE1 3.86Å; P138-Y154 CarbonylContact O-C 3.57Å; P138-Y154 WeakPolarHBondContact O-CA 3.2Å; T140-Y154 HydrophobicContact CG2-CD1 3.97Å; T140-Y154 HydrophobicContact CG2-CD2 4.41Å; T140-Y154 HydrophobicContact CG2-CG 3.82Å; G151-Y154 PolarHBondContact N-O 2.87Å; Y154-F156 HydrophobicContact CD2-CE1 4.28Å; Y154-F156 HydrophobicContact CD2-CZ 4.22Å; Y154-F156 HydrophobicContact CG-CE1 4.37Å; Y154-F156 WeakPolarHBondContact O-CD2 3.32Å; Y154-F156 PolarHBondContact O-N 3.43Å; Y154-Y182 HydrophobicContact CE1-CD1 4.02Å; Y154-Y182 HydrophobicContact CE1-CE1 4.29Å
155N93.2Very high89.5Confident54 Ų5461.9 Ų61.929%0.28934%0.335SS..EExtended strand (participates in β ladder)trans-73.6101.9154.6-73.5-3.8000107.5V137 P138 C139 T140 G151 L157V137-N155 WeakPolarHBondContact CB-OD1 3.45Å; P138-N155 PolarHBondContact O-N 2.86Å; C139-N155 CarbonylContact C-O 3.59Å; C139-N155 WeakPolarHBondContact CA-O 3.37Å; C139-N155 HydrophobicContact CB-CB 3.98Å; T140-N155 PolarHBondContact N-O 2.79Å; G151-N155 WeakPolarHBondContact CA-OD1 3.41Å; N155-L157 HydrophobicContact CB-CD2 4.47Å; N155-L157 HydrophobicContact CB-CG 4.41Å; N155-L157 PolarHBondContact O-N 3.3Å
156F94.8Very high89.4Confident43 Ų4359.2 Ų59.219%0.18933%0.328CS..EExtended strand (participates in β ladder)trans-78.3115.8173.8-60.9-70.8000108.9T140 R142 P144 E148 P150 Y154T140-F156 HydrophobicContact CG2-CD1 3.52Å; T140-F156 HydrophobicContact CG2-CE1 3.65Å; T140-F156 WeakPolarHBondContact O-CA 3.39Å; R142-F156 WeakPolarHBondContact O-CD1 3.35Å; P144-F156 HydrophobicContact CB-CD2 4.26Å; P144-F156 HydrophobicContact CB-CE1 4.31Å; P144-F156 HydrophobicContact CB-CE2 3.87Å; P144-F156 HydrophobicContact CB-CZ 3.9Å; P144-F156 HydrophobicContact CG-CB 4.46Å; P144-F156 HydrophobicContact CG-CD1 4.18Å; P144-F156 HydrophobicContact CG-CD2 3.68Å; P144-F156 HydrophobicContact CG-CE1 4.31Å; P144-F156 HydrophobicContact CG-CE2 3.83Å; P144-F156 HydrophobicContact CG-CG 3.84Å; P144-F156 HydrophobicContact CG-CZ 4.14Å; E148-F156 HydrophobicContact CB-CE2 4.35Å; E148-F156 HydrophobicContact CB-CZ 3.9Å; P150-F156 HydrophobicContact CB-CD2 3.88Å; P150-F156 HydrophobicContact CB-CE2 4.42Å; P150-F156 HydrophobicContact CG-CD2 3.92Å; P150-F156 HydrophobicContact CG-CE2 4.24Å; Y154-F156 HydrophobicContact CD2-CE1 4.28Å; Y154-F156 HydrophobicContact CD2-CZ 4.22Å; Y154-F156 HydrophobicContact CG-CE1 4.37Å; Y154-F156 WeakPolarHBondContact O-CD2 3.32Å; Y154-F156 PolarHBondContact O-N 3.43Å
157L93.8Very high89.6Confident45 Ų4559 Ų5924%0.23633%0.325CS..  trans-121.3155.7-170.7-66.5-174.4000110.6C139 T140 T141 N155 D161 L165C139-L157 HydrophobicContact CB-CD1 3.65Å; C139-L157 HydrophobicContact CB-CG 4.22Å; T140-L157 PolarHBondContact O-N 2.93Å; T141-L157 WeakPolarHBondContact CA-O 3.28Å; N155-L157 HydrophobicContact CB-CD2 4.47Å; N155-L157 HydrophobicContact CB-CG 4.41Å; N155-L157 PolarHBondContact O-N 3.3Å; L157-D161 HydrophobicContact CB-CB 4.02Å; L157-D161 HydrophobicContact CD1-CB 4.41Å; L157-D161 HydrophobicContact CD2-CB 4.27Å; L157-D161 HydrophobicContact CG-CB 4.46Å; L157-L165 HydrophobicContact CD1-CD1 3.44Å; L157-L165 VanDerWaalsContact CD1-CD1 3.44Å; L157-L165 HydrophobicContact CD1-CG 4.49Å
158S93.1Very high89.9Confident56 Ų5660.4 Ų60.439%0.39233%0.328SS..  trans-67.5164.7163.376.90000110.4E160 D161 F162S158-E160 PolarHBondContact O-N 3.43Å; S158-E160 PolarHBondContact OG-N 3.16Å; S158-D161 WeakPolarHBondContact CB-OD2 3.44Å; S158-D161 PolarHBondContact N-OD2 3.2Å; S158-D161 VanDerWaalsContact N-OD2 3.12Å; S158-D161 PolarHBondContact O-N 2.91Å; S158-D161 PolarHBondContact OG-N 3.4Å; S158-D161 PolarHBondContact OG-OD2 2.85Å; S158-F162 WeakPolarHBondContact O-CB 3.34Å; S158-F162 PolarHBondContact O-N 3.19Å
159V91Very high89.8Confident69 Ų6960.1 Ų60.142%0.41834%0.335SS..Hα-helixtrans-61.6-34.9173.4179.90000110.7T141 F162 L163 Y181T141-V159 HydrophobicContact CG2-CB 4.49Å; T141-V159 HydrophobicContact CG2-CG2 4.08Å; V159-F162 PolarHBondContact O-N 3.39Å; V159-L163 HydrophobicContact CG1-CD1 3.97Å; V159-L163 HydrophobicContact CG1-CG 4.41Å; V159-L163 WeakPolarHBondContact O-CB 3.45Å; V159-L163 VanDerWaalsContact O-CG 3.25Å; V159-L163 WeakPolarHBondContact O-CG 3.4Å; V159-L163 PolarHBondContact O-N 2.97Å; V159-Y181 HydrophobicContact CG1-CD2 4.42Å; V159-Y181 HydrophobicContact CG1-CE2 4.08Å
160E91.9Very high90Very high84 Ų8460.9 Ų60.939%0.39334%0.34SS..Hα-helixtrans-67.3-49.8177-175.855.1-15400111.6S158 F162 L163 V164S158-E160 PolarHBondContact O-N 3.43Å; S158-E160 PolarHBondContact OG-N 3.16Å; E160-F162 PolarHBondContact O-N 2.82Å; E160-L163 CarbonylContact O-C 3.5Å; E160-L163 PolarHBondContact O-N 3.34Å; E160-V164 WeakPolarHBondContact O-CG2 3.21Å; E160-V164 PolarHBondContact O-N 2.98Å
161D90.7Very high90.3Very high82 Ų8256.7 Ų56.744%0.43931%0.313SS..Hα-helixtrans-56.8-39.4176.2-60.2-58.2000111.6L157 S158 V164 L165L157-D161 HydrophobicContact CB-CB 4.02Å; L157-D161 HydrophobicContact CD1-CB 4.41Å; L157-D161 HydrophobicContact CD2-CB 4.27Å; L157-D161 HydrophobicContact CG-CB 4.46Å; S158-D161 WeakPolarHBondContact CB-OD2 3.44Å; S158-D161 PolarHBondContact N-OD2 3.2Å; S158-D161 VanDerWaalsContact N-OD2 3.12Å; S158-D161 PolarHBondContact O-N 2.91Å; S158-D161 PolarHBondContact OG-N 3.4Å; S158-D161 PolarHBondContact OG-OD2 2.85Å; D161-V164 PolarHBondContact O-N 3.38Å; D161-L165 WeakPolarHBondContact O-CG 3.48Å; D161-L165 PolarHBondContact O-N 2.82Å
162F94.6Very high90.8Very high0 Ų055.6 Ų55.60%030%0.301CS..Hα-helixtrans-65.3-43.9176.2-168.6-75.1000111.8C139 T141 S158 V159 E160 V164 L165 E166 L171 I174 Y181C139-F162 VanDerWaalsContact SG-CE2 3.5Å; T141-F162 HydrophobicContact CG2-CB 3.57Å; T141-F162 HydrophobicContact CG2-CD2 3.95Å; T141-F162 HydrophobicContact CG2-CG 3.85Å; S158-F162 WeakPolarHBondContact O-CB 3.34Å; S158-F162 PolarHBondContact O-N 3.19Å; V159-F162 PolarHBondContact O-N 3.39Å; E160-F162 PolarHBondContact O-N 2.82Å; F162-V164 VanDerWaalsContact C-N 3.34Å; F162-L165 PolarHBondContact O-N 3.48Å; F162-E166 PolarHBondContact O-N 3.14Å; F162-L171 HydrophobicContact CD1-CD1 4.28Å; F162-L171 HydrophobicContact CE1-CD1 3.69Å; F162-L171 HydrophobicContact CE2-CD1 4.22Å; F162-L171 HydrophobicContact CZ-CD1 3.65Å; F162-I174 HydrophobicContact CE1-CG2 4Å; F162-I174 HydrophobicContact CZ-CG2 4.17Å; F162-Y181 HydrophobicContact CD1-CD1 4.28Å; F162-Y181 HydrophobicContact CD1-CG 4.16Å; F162-Y181 HydrophobicContact CE1-CD1 4.12Å; F162-Y181 HydrophobicContact CE1-CG 4.23Å
163L90.8Very high91.1Very high63 Ų6355.9 Ų55.933%0.3330%0.299SS..Hα-helixtrans-67.4-33.5177-71.6170.9000111.9V159 E160 E166 K167V159-L163 HydrophobicContact CG1-CD1 3.97Å; V159-L163 HydrophobicContact CG1-CG 4.41Å; V159-L163 WeakPolarHBondContact O-CB 3.45Å; V159-L163 VanDerWaalsContact O-CG 3.25Å; V159-L163 WeakPolarHBondContact O-CG 3.4Å; V159-L163 PolarHBondContact O-N 2.97Å; E160-L163 CarbonylContact O-C 3.5Å; E160-L163 PolarHBondContact O-N 3.34Å; L163-E166 PolarHBondContact O-N 3.24Å; L163-K167 WeakPolarHBondContact O-CB 3.38Å; L163-K167 PolarHBondContact O-N 2.63Å
164V91.1Very high91.4Very high75 Ų7557.6 Ų57.646%0.45531%0.308SS..Hα-helixtrans-63-42.8170.2170.80000110.9E160 D161 F162 K167 S168E160-V164 WeakPolarHBondContact O-CG2 3.21Å; E160-V164 PolarHBondContact O-N 2.98Å; D161-V164 PolarHBondContact O-N 3.38Å; F162-V164 VanDerWaalsContact C-N 3.34Å; V164-K167 PolarHBondContact O-N 2.84Å; V164-S168 VanDerWaalsContact O-CB 3.29Å; V164-S168 WeakPolarHBondContact O-CB 3.31Å; V164-S168 PolarHBondContact O-N 2.78Å; V164-S168 PolarHBondContact O-OG 2.83Å
165L88.7Confident91.2Very high51 Ų5156.1 Ų56.127%0.26731%0.313SS..Hα-helixtrans-66.5-37.9173.6-68.5-177.7000113.1L157 D161 F162 S168 T170 L171L157-L165 HydrophobicContact CD1-CD1 3.44Å; L157-L165 VanDerWaalsContact CD1-CD1 3.44Å; L157-L165 HydrophobicContact CD1-CG 4.49Å; D161-L165 WeakPolarHBondContact O-CG 3.48Å; D161-L165 PolarHBondContact O-N 2.82Å; F162-L165 PolarHBondContact O-N 3.48Å; L165-S168 WeakPolarHBondContact CA-OG 3.43Å; L165-S168 PolarHBondContact O-OG 3.1Å; L165-T170 PolarHBondContact O-N 2.84Å; L165-T170 PolarHBondContact O-OG1 3.39Å; L165-L171 HydrophobicContact CB-CD1 4.06Å; L165-L171 HydrophobicContact CB-CD2 3.96Å; L165-L171 HydrophobicContact CB-CG 3.86Å; L165-L171 HydrophobicContact CD1-CD2 4.32Å
166E89.1Confident91Very high78 Ų7858.3 Ų58.336%0.36433%0.329SS..Hα-helixtrans-62.2-51.3172.2174.2159.8-141.100111.5F162 L163 S168 G169 L171 I174F162-E166 PolarHBondContact O-N 3.14Å; L163-E166 PolarHBondContact O-N 3.24Å; E166-S168 PolarHBondContact O-N 3.04Å; E166-G169 PolarHBondContact O-N 2.79Å; E166-L171 HydrophobicContact CB-CD1 4.21Å; E166-I174 HydrophobicContact CB-CD1 3.87Å; E166-I174 VanDerWaalsContact CD-CD1 3.45Å; E166-I174 HydrophobicContact CG-CD1 3.53Å; E166-I174 WeakPolarHBondContact OE1-CD1 3.4Å
167K88.9Confident90.6Very high192 Ų19263 Ų6384%0.83535%0.346SS*.Hα-helixtrans-66.2-32.3-176.6-172.5176-177.7178.20113.3L163 V164 G169L163-K167 WeakPolarHBondContact O-CB 3.38Å; L163-K167 PolarHBondContact O-N 2.63Å; V164-K167 PolarHBondContact O-N 2.84Å; K167-G169 PolarHBondContact O-N 2.78Å
168S89.7Confident90.4Very high68 Ų6866.8 Ų66.848%0.47636%0.362SS..THydrogen-bonded Turntrans-71.8-8.4171.160.60000113.9V164 L165 E166 T170V164-S168 VanDerWaalsContact O-CB 3.29Å; V164-S168 WeakPolarHBondContact O-CB 3.31Å; V164-S168 PolarHBondContact O-N 2.78Å; V164-S168 PolarHBondContact O-OG 2.83Å; L165-S168 WeakPolarHBondContact CA-OG 3.43Å; L165-S168 PolarHBondContact O-OG 3.1Å; E166-S168 PolarHBondContact O-N 3.04Å; S168-T170 PolarHBondContact O-N 2.91Å; S168-T170 WeakPolarHBondContact OG-CG2 3.41Å; S168-T170 PolarHBondContact OG-OG1 2.86Å
169G86.8Confident90Very high32 Ų3267.1 Ų67.133%0.3338%0.375SS..THydrogen-bonded Turntrans70.713.4-178.400000114.2E166 K167 K186E166-G169 PolarHBondContact O-N 2.79Å; K167-G169 PolarHBondContact O-N 2.78Å; G169-K186 WeakPolarHBondContact O-CE 3.25Å
170T89.3Confident90.1Very high47 Ų4765.6 Ų65.629%0.28837%0.365SS..  trans-79.3-20.6-179.854.30000112.9L165 S168 P185 K186L165-T170 PolarHBondContact O-N 2.84Å; L165-T170 PolarHBondContact O-OG1 3.39Å; S168-T170 PolarHBondContact O-N 2.91Å; S168-T170 WeakPolarHBondContact OG-CG2 3.41Å; S168-T170 PolarHBondContact OG-OG1 2.86Å; T170-P185 CarbonylContact O-C 3.58Å; T170-P185 WeakPolarHBondContact O-CA 3.41Å; T170-K186 WeakPolarHBondContact O-CG 3.45Å; T170-K186 PolarHBondContact O-N 2.6Å
171L93.1Very high90.2Very high0 Ų065.3 Ų65.30%036%0.36CS..EExtended strand (participates in β ladder)trans-81.5125.1175.3-58.1-176.6000112.6K108 F162 L165 E166 I174 P185K108-L171 WeakPolarHBondContact CD-O 3.37Å; K108-L171 WeakPolarHBondContact CE-O 3.36Å; K108-L171 PolarHBondContact NZ-O 3.49Å; F162-L171 HydrophobicContact CD1-CD1 4.28Å; F162-L171 HydrophobicContact CE1-CD1 3.69Å; F162-L171 HydrophobicContact CE2-CD1 4.22Å; F162-L171 HydrophobicContact CZ-CD1 3.65Å; L165-L171 HydrophobicContact CB-CD1 4.06Å; L165-L171 HydrophobicContact CB-CD2 3.96Å; L165-L171 HydrophobicContact CB-CG 3.86Å; L165-L171 HydrophobicContact CD1-CD2 4.32Å; E166-L171 HydrophobicContact CB-CD1 4.21Å; L171-I174 HydrophobicContact CB-CD1 3.86Å; L171-I174 HydrophobicContact CB-CG1 3.71Å; L171-I174 HydrophobicContact CD1-CD1 3.93Å; L171-I174 HydrophobicContact CD1-CG1 3.85Å; L171-I174 HydrophobicContact CG-CG1 4.44Å; L171-P185 HydrophobicContact CD2-CB 3.99Å
172L93.1Very high90.4Very high2 Ų263.4 Ų63.41%0.0135%0.347CS..EExtended strand (participates in β ladder)trans-85.4-33.8177.4-65.6175.7000113.4L107 K108 L111 L132 T184 K186L107-L172 HydrophobicContact CD2-CD1 4.21Å; K108-L172 VanDerWaalsContact CA-O 3.31Å; K108-L172 WeakPolarHBondContact CA-O 3.42Å; K108-L172 WeakPolarHBondContact CB-O 3.29Å; K108-L172 WeakPolarHBondContact CG-O 3.48Å; L111-L172 HydrophobicContact CD1-CB 4.24Å; L132-L172 HydrophobicContact CD1-CD1 3.95Å; L132-L172 HydrophobicContact CD2-CD1 3.57Å; L132-L172 HydrophobicContact CG-CD1 4.45Å; L172-T184 PolarHBondContact N-O 2.76Å; L172-K186 HydrophobicContact CD1-CG 4.11Å; L172-K186 HydrophobicContact CD2-CD 4.39Å; L172-K186 HydrophobicContact CD2-CG 3.63Å; L172-K186 HydrophobicContact CG-CG 3.73Å
173E90.7Very high90.4Very high50 Ų5063.6 Ų63.623%0.23435%0.35CS..EExtended strand (participates in β ladder)trans-134.1143.5172.3-176.8167.5-164.500108.4L111 R129 G183 T184L111-E173 HydrophobicContact CB-CB 4.34Å; L111-E173 HydrophobicContact CD1-CB 4.38Å; R129-E173 IonicContact CZ-OE1 3.27Å; R129-E173 IonicContact CZ-OE2 3.65Å; R129-E173 VanDerWaalsContact CZ-OE2 3.28Å; R129-E173 IonicContact NE-OE1 2.7Å; R129-E173 IonicContact NE-OE2 3.76Å; R129-E173 PolarHBondContact NE-OE2 3.48Å; R129-E173 VanDerWaalsContact NH2-CD 3.26Å; R129-E173 IonicContact NH2-OE1 2.71Å; R129-E173 PolarHBondContact NH2-OE1 3.35Å; R129-E173 IonicContact NH2-OE2 2.76Å; R129-E173 PolarHBondContact NH2-OE2 3.36Å; E173-G183 CarbonylContact O-C 3.53Å; E173-G183 WeakPolarHBondContact O-CA 3.45Å; E173-T184 PolarHBondContact O-N 2.87Å
174I91.8Very high90.6Very high52 Ų5260.8 Ų60.827%0.26734%0.335SS..EExtended strand (participates in β ladder)trans-139.9134.2179.2-58.2176.4000107.5F162 E166 L171 Y182F162-I174 HydrophobicContact CE1-CG2 4Å; F162-I174 HydrophobicContact CZ-CG2 4.17Å; E166-I174 HydrophobicContact CB-CD1 3.87Å; E166-I174 VanDerWaalsContact CD-CD1 3.45Å; E166-I174 HydrophobicContact CG-CD1 3.53Å; E166-I174 WeakPolarHBondContact OE1-CD1 3.4Å; L171-I174 HydrophobicContact CB-CD1 3.86Å; L171-I174 HydrophobicContact CB-CG1 3.71Å; L171-I174 HydrophobicContact CD1-CD1 3.93Å; L171-I174 HydrophobicContact CD1-CG1 3.85Å; L171-I174 HydrophobicContact CG-CG1 4.44Å; I174-Y182 CarbonylContact C-O 3.58Å; I174-Y182 WeakPolarHBondContact CA-O 3.43Å
175G89.1Confident90.7Very high35 Ų3558.2 Ų58.236%0.36132%0.32SS..EExtended strand (participates in β ladder)trans-150.8160.7176.100000111.7Y182G175-Y182 PolarHBondContact N-O 3.18Å; G175-Y182 PolarHBondContact O-N 3.19Å
176T89.8Confident91Very high101 Ų10159.2 Ų59.262%0.6232%0.322SS*.EExtended strand (participates in β ladder)trans-122.4129.6178.754.60000110.3N180 Y181T176-N180 CarbonylContact C-O 3.59Å; T176-N180 VanDerWaalsContact CA-O 3.31Å; T176-N180 WeakPolarHBondContact CA-O 3.27Å; T176-Y181 HydrophobicContact CG2-CD1 3.69Å; T176-Y181 HydrophobicContact CG2-CE1 3.82Å; T176-Y181 HydrophobicContact CG2-CG 4.3Å
177Y86Confident91.2Very high141 Ų14155.6 Ų55.655%0.55331%0.305SS*.EExtended strand (participates in β ladder)trans-142.6131.2178.9-178.8-106.9000110.5G179 N180 Y182Y177-G179 PolarHBondContact O-N 2.97Å; Y177-G179 VanDerWaalsContact O-N 3.13Å; Y177-N180 PolarHBondContact N-O 3.05Å; Y177-N180 WeakPolarHBondContact O-CB 3.42Å; Y177-N180 PolarHBondContact O-N 2.65Å; Y177-Y182 HydrophobicContact CD1-CE2 4.42Å
178E88.8Confident91.1Very high124 Ų12449.5 Ų49.558%0.57929%0.285SS*.THydrogen-bonded Turntrans53.430.2-175.6-62.3178.8140.700113.8R145 N180R145-E178 IonicContact NH2-OE2 3.65Å; E178-N180 PolarHBondContact O-N 2.65Å; E178-N180 PolarHBondContact O-ND2 3.37Å
179G85.5Confident90.8Very high64 Ų6451.3 Ų51.366%0.6629%0.293SS*.THydrogen-bonded Turntrans82.7-9.2-176.400000115Y177Y177-G179 PolarHBondContact O-N 2.97Å; Y177-G179 VanDerWaalsContact O-N 3.13Å
180N93.5Very high90.3Very high37 Ų3756.5 Ų56.520%0.19831%0.309CS..EExtended strand (participates in β ladder)trans-91.1145.9177.4-52.6-81000110.7R142 T176 Y177 E178 Y182R142-N180 VanDerWaalsContact CA-OD1 3.3Å; R142-N180 WeakPolarHBondContact CA-OD1 3.42Å; R142-N180 HydrophobicContact CB-CB 3.85Å; T176-N180 CarbonylContact C-O 3.59Å; T176-N180 VanDerWaalsContact CA-O 3.31Å; T176-N180 WeakPolarHBondContact CA-O 3.27Å; Y177-N180 PolarHBondContact N-O 3.05Å; Y177-N180 WeakPolarHBondContact O-CB 3.42Å; Y177-N180 PolarHBondContact O-N 2.65Å; E178-N180 PolarHBondContact O-N 2.65Å; E178-N180 PolarHBondContact O-ND2 3.37Å; N180-Y182 HydrophobicContact CB-CE2 3.89Å
181Y93.4Very high89.5Confident77 Ų7757 Ų5730%0.30231%0.313SS..EExtended strand (participates in β ladder)trans-85147.7172.1-60.4-101.1000110T140 T141 V159 F162 T176T140-Y181 CarbonylContact C-O 3.59Å; T140-Y181 WeakPolarHBondContact CA-O 3.42Å; T140-Y181 WeakPolarHBondContact CB-O 3.21Å; T140-Y181 PolarHBondContact OG1-O 2.56Å; T141-Y181 HydrophobicContact CG2-CD2 4.17Å; T141-Y181 HydrophobicContact CG2-CG 4.44Å; T141-Y181 PolarHBondContact N-O 2.83Å; T141-Y181 PolarHBondContact OG1-N 2.76Å; V159-Y181 HydrophobicContact CG1-CD2 4.42Å; V159-Y181 HydrophobicContact CG1-CE2 4.08Å; F162-Y181 HydrophobicContact CD1-CD1 4.28Å; F162-Y181 HydrophobicContact CD1-CG 4.16Å; F162-Y181 HydrophobicContact CE1-CD1 4.12Å; F162-Y181 HydrophobicContact CE1-CG 4.23Å; T176-Y181 HydrophobicContact CG2-CD1 3.69Å; T176-Y181 HydrophobicContact CG2-CE1 3.82Å; T176-Y181 HydrophobicContact CG2-CG 4.3Å
182Y94.9Very high87.9Confident42 Ų4261.6 Ų61.617%0.16534%0.343CS..EExtended strand (participates in β ladder)trans-137.6138.7175.8-69-97.3000108.3C139 T140 R142 Y154 I174 G175 Y177 N180C139-Y182 CarbonylContact O-C 3.39Å; C139-Y182 WeakPolarHBondContact O-CA 3.44Å; T140-Y182 HydrophobicContact CG2-CE1 4.27Å; T140-Y182 WeakPolarHBondContact OG1-CD1 3.32Å; T140-Y182 WeakPolarHBondContact OG1-CE1 3.2Å; R142-Y182 WeakPolarHBondContact CD-OH 3.31Å; R142-Y182 PolarHBondContact NE-OH 3.02Å; Y154-Y182 HydrophobicContact CE1-CD1 4.02Å; Y154-Y182 HydrophobicContact CE1-CE1 4.29Å; I174-Y182 CarbonylContact C-O 3.58Å; I174-Y182 WeakPolarHBondContact CA-O 3.43Å; G175-Y182 PolarHBondContact N-O 3.18Å; G175-Y182 PolarHBondContact O-N 3.19Å; Y177-Y182 HydrophobicContact CD1-CE2 4.42Å; N180-Y182 HydrophobicContact CB-CE2 3.89Å
183G94.1Very high85.7Confident5 Ų565.9 Ų65.95%0.05237%0.373CS..EExtended strand (participates in β ladder)trans-150.2160.4-177.100000113.3P138 C139 E173P138-G183 CarbonylContact C-O 3.59Å; P138-G183 VanDerWaalsContact CA-O 3.3Å; P138-G183 WeakPolarHBondContact CA-O 3.39Å; C139-G183 PolarHBondContact N-O 2.75Å; C139-G183 PolarHBondContact O-N 2.82Å; E173-G183 CarbonylContact O-C 3.53Å; E173-G183 WeakPolarHBondContact O-CA 3.45Å
184T94.9Very high83.2Confident4 Ų466.7 Ų66.73%0.02540%0.395CS..EExtended strand (participates in β ladder)trans-119.8110.4172.2-56.50000108.6L132 Y133 L172 E173L132-T184 HydrophobicContact CB-CG2 4.1Å; L132-T184 HydrophobicContact CD1-CG2 3.98Å; Y133-T184 HydrophobicContact CD1-CG2 4.32Å; Y133-T184 HydrophobicContact CE1-CG2 3.91Å; L172-T184 PolarHBondContact N-O 2.76Å; E173-T184 PolarHBondContact O-N 2.87Å
185P93.9Very high80.1Confident20 Ų2074.5 Ų74.513%0.1343%0.427CS..EExtended strand (participates in β ladder)trans-71.4159.8176.626.7-29.3000111.9A136 V137 T170 L171A136-P185 HydrophobicContact CB-CG 4.28Å; A136-P185 VanDerWaalsContact CB-O 3.31Å; A136-P185 WeakPolarHBondContact CB-O 3.45Å; V137-P185 WeakPolarHBondContact O-CD 3.35Å; V137-P185 WeakPolarHBondContact O-CG 3.37Å; T170-P185 CarbonylContact O-C 3.58Å; T170-P185 WeakPolarHBondContact O-CA 3.41Å; L171-P185 HydrophobicContact CD2-CB 3.99Å
186K93.9Very high77.3Confident73 Ų7378.6 Ų78.632%0.31745%0.445SS..PPolyproline II helixtrans-58.6138.9166.3-75.4173.3-171.3-163.70110E37 N38 G169 T170 L172E37-K186 WeakPolarHBondContact O-CD 3.45Å; N38-K186 WeakPolarHBondContact O-CE 3.41Å; N38-K186 PolarHBondContact O-NZ 2.88Å; G169-K186 WeakPolarHBondContact O-CE 3.25Å; T170-K186 WeakPolarHBondContact O-CG 3.45Å; T170-K186 PolarHBondContact O-N 2.6Å; L172-K186 HydrophobicContact CD1-CG 4.11Å; L172-K186 HydrophobicContact CD2-CD 4.39Å; L172-K186 HydrophobicContact CD2-CG 3.63Å; L172-K186 HydrophobicContact CG-CG 3.73Å
187P93.1Very high74.4Confident2 Ų281.6 Ų81.61%0.01346%0.455CS..PPolyproline II helixtrans-53.5155163.2-27.437.2000112.1A36 E37 P77 L132 H135 A136A36-P187 HydrophobicContact CB-CG 3.95Å; E37-P187 HydrophobicContact CB-CB 4.42Å; E37-P187 WeakPolarHBondContact CB-O 3.26Å; P77-P187 HydrophobicContact CG-CB 3.82Å; P77-P187 HydrophobicContact CG-CG 4.2Å; L132-P187 HydrophobicContact CD2-CG 3.79Å; H135-P187 HydrophobicContact CB-CB 3.88Å; H135-P187 HydrophobicContact CB-CG 4.07Å; A136-P187 HydrophobicContact CB-CG 4.36Å
188P88.3Confident71.8Confident63 Ų6379.9 Ų79.941%0.40946%0.464SS..PPolyproline II helixtrans-61.8148.3175.828.1-35.6000111.2Y79 H135 Q190Y79-P188 WeakPolarHBondContact CE1-O 3.19Å; H135-P188 WeakPolarHBondContact O-CD 3.07Å; P188-Q190 WeakPolarHBondContact CB-O 3.22Å; P188-Q190 PolarHBondContact O-N 3.24Å
189V83.3Confident68.7Low106 Ų10677.8 Ų77.864%0.64248%0.475SS*.SBendtrans-70.3-15.6-177-176.80000112.8
190Q75.9Confident65.8Low141 Ų14179.8 Ų79.866%0.65948%0.479SS*.SBendtrans-129.2150.4174.5-61.2-177.92500108.7P188P188-Q190 WeakPolarHBondContact CB-O 3.22Å; P188-Q190 PolarHBondContact O-N 3.24Å
191P73.4Confident62.5Low59 Ų5983.9 Ų83.938%0.38351%0.51SS..  trans-58149.3170.226.7-35000110.3Y79 S193Y79-P191 HydrophobicContact CD2-CB 4.13Å; Y79-P191 HydrophobicContact CD2-CG 4.43Å; Y79-P191 HydrophobicContact CE2-CB 3.88Å; P191-S193 PolarHBondContact O-N 2.85Å; P191-S193 PolarHBondContact O-OG 3.05Å
192P58.8Low59.3Low96 Ų9684.3 Ų84.362%0.62354%0.539SS*.  trans-6695.3-178.726.5-34.3000111T222P192-T222 HydrophobicContact CG-CG2 4.24Å
193S46.1Very low55.9Low92 Ų9285.6 Ų85.664%0.64357%0.565SS**  trans-77.9119.7178.1-59.60000110.6P191P191-S193 PolarHBondContact O-N 2.85Å; P191-S193 PolarHBondContact O-OG 3.05Å
194G37.8Very low52.7Low67 Ų6793.8 Ų93.869%0.69161%0.607SS**  trans-59139.7168.500000110.9V196G194-V196 PolarHBondContact O-N 3.16Å
195K28.3Very low49.7Very low215 Ų21598.1 Ų98.194%0.93564%0.643SS**  trans-7090.9177.5-91.5-173.4171.7-178.70110.6
196V28.8Very low46.8Very low122 Ų122103.4 Ų103.474%0.73968%0.678SS**PPolyproline II helixtrans-82.6123.4161.6-1780000108.2G194G194-V196 PolarHBondContact O-N 3.16Å
197I30.1Very low43.9Very low164 Ų164107.9 Ų107.984%0.84170%0.704SS**PPolyproline II helixtrans-83.4117.8168.5-59.4178000107.1
198S29.8Very low40.8Very low105 Ų105113.6 Ų113.673%0.73474%0.744SS**PPolyproline II helixtrans-80.1134-169.7-580000114
199G23.9Very low37.7Very low79 Ų79118.1 Ų118.181%0.81477%0.765SS**  trans-122.9132.7157.700000109.4
200S25.4Very low34.8Very low107 Ų107116.3 Ų116.375%0.74877%0.768SS**  trans-108.6145.6-163.8-53.60000113.9
201S25.2Very low32.4Very low122 Ų122117 Ų11785%0.85378%0.775SS**  145.1127.3119.3-63.20000114.8
202G24.2Very low30Very low87 Ų87120.2 Ų120.290%0.89780%0.799SS**  trans76.9153.1162.300000116.4
203G25.5Very low28.4Very low69 Ų69119 Ų11971%0.71180%0.804SS**  cis173.8145.7-7.100000112
204D25.4Very low27.4Very low176 Ų176120.5 Ų120.594%0.94182%0.815SS**  trans57.7135.7168-58.5-25000120.9
205A32.9Very low26.7Very low95 Ų95125.7 Ų125.779%0.78583%0.826SS**  trans-151.1145.416800000110.1
206P31.7Very low26.6Very low131 Ų131120.9 Ų120.985%0.85182%0.817SS**  trans-120.1153157.134.1-23000112.7
207L34.1Very low26.7Very low168 Ų168118.8 Ų118.888%0.8882%0.82SS**  trans-118.2148-176.5-71.4170.1000112
208S27.4Very low26.4Very low122 Ų122114.9 Ų114.985%0.85381%0.807SS**  trans168.4163.1143.838.80000109.9
209D23.7Very low26.5Very low158 Ų158117.4 Ų117.485%0.84581%0.807SS**  cis-163.6148-39.2-177.714.7000105.1
210G23.1Very low26.7Very low68 Ų68120.1 Ų120.170%0.70180%0.803SS**  trans-170.214.8-158.800000121.9
211L25.1Very low26.7Very low154 Ų154120.3 Ų120.381%0.80680%0.804SS**  trans53.6111.1160.6-65.1174000121
212S22.7Very low26.9Very low127 Ų127117 Ų11789%0.88878%0.779SS**  88.5133.1129.380.10000120.6
213G24.8Very low27.1Very low71 Ų71118.5 Ų118.573%0.73277%0.773SS**SBendtrans120.593.1174.500000113.4
214S25Very low27.6Very low123 Ų123126.1 Ų126.186%0.8678%0.78SS**  trans56.288.9162.1-56.60000118.2P216S214-P216 WeakPolarHBondContact O-CD 3.11Å
215L22.6Very low28.4Very low177 Ų177123.5 Ų123.593%0.92776%0.757SS**  trans-76.7128.9172.4-95.9171.7000113.7
216P26.9Very low28.3Very low114 Ų114122.8 Ų122.874%0.7475%0.751SS**  trans-98.3179.4167.339.7-34.2000112.5S214S214-P216 WeakPolarHBondContact O-CD 3.11Å
217G31Very low28.4Very low78 Ų78123.3 Ų123.380%0.80474%0.74SS**  trans79114.1145.100000120.1
218S23.5Very low28.2Very low81 Ų81120.4 Ų120.457%0.56673%0.734SS**  trans-162108.4145.4-169.90000106.1
219Q31.5Very low28.3Very low159 Ų159120.1 Ų120.174%0.74372%0.715SS**  61139.175.4-70.4-66.9-3.700114
220N28.4Very low28.7Very low135 Ų135119.9 Ų119.972%0.72271%0.713SS**  trans56.173.3-168.3-64.2-1.6000114.6
221S25.6Very low29.1Very low112 Ų112124.1 Ų124.178%0.78372%0.72SS**  trans-105.9115.1157.1-74.90000109.8
222T29Very low29.4Very low53 Ų53123.8 Ų123.833%0.32572%0.716SS.*  trans-52.8136.8171.7-30.40000110P192 R224P192-T222 HydrophobicContact CG-CG2 4.24Å; T222-R224 PolarHBondContact O-N 3.07Å
223P30Very low29.6Very low118 Ų118128.3 Ų128.377%0.76671%0.714SS**  trans-54.9116-178.4-28.335.8000111.8R225P223-R225 PolarHBondContact O-N 2.91Å
224R34.8Very low29.9Very low229 Ų229133.3 Ų133.386%0.86472%0.724SS**  trans-71.8113.9178.7-71.6-173.7177.2-165.41.9109.2T222 A226T222-R224 PolarHBondContact O-N 3.07Å; R224-A226 PolarHBondContact O-N 3.08Å
225R42.3Very low30.1Very low121 Ų121132.5 Ų132.546%0.45773%0.725SS.*  trans-65.184.6161.3-179.4173.5-77-173.3-2.5109.8V137 G151 V152 P223V137-R225 VanDerWaalsContact CG2-NH1 3.35Å; G151-R225 PolarHBondContact O-NH1 3.32Å; G151-R225 PolarHBondContact O-NH2 3.08Å; V152-R225 VanDerWaalsContact CA-NH1 3.3Å; V152-R225 PolarHBondContact O-NH1 2.76Å; P223-R225 PolarHBondContact O-N 2.91Å
226A31.3Very low30.3Very low79 Ų79127.5 Ų127.565%0.65372%0.715SS**  trans-82.5136.9159.400000108.2R224 S228R224-A226 PolarHBondContact O-N 3.08Å; A226-S228 VanDerWaalsContact C-N 3.33Å; A226-S228 PolarHBondContact O-N 3.48Å
227K34.3Very low30.5Very low142 Ų142130.1 Ų130.162%0.61772%0.722SS**  trans-78.286.7170.9-64.8-166.4-177.3-169.70109.2D153D153-K227 VanDerWaalsContact OD1-CE 3.29Å; D153-K227 WeakPolarHBondContact OD1-CE 3.45Å; D153-K227 IonicContact OD1-NZ 3.23Å; D153-K227 PolarHBondContact OD1-NZ 3.03Å
228S29.7Very low30.1Very low108 Ų108130.1 Ų130.176%0.75572%0.721SS**  trans-102.1134.6156-166.20000107A226A226-S228 VanDerWaalsContact C-N 3.33Å; A226-S228 PolarHBondContact O-N 3.48Å
229Y29.1Very low30.5Very low115 Ų115134.5 Ų134.545%0.45174%0.737SS.*  trans-111.810.4-157.7-129.2-105.3000114.6G147 E148 V149 D153G147-Y229 VanDerWaalsContact C-OH 3.24Å; G147-Y229 WeakPolarHBondContact O-CE1 3.41Å; G147-Y229 PolarHBondContact O-OH 3.47Å; E148-Y229 WeakPolarHBondContact CA-OH 3.31Å; V149-Y229 HydrophobicContact CG2-CE1 4.46Å; D153-Y229 PolarHBondContact OD2-OH 2.84Å
230N31.4Very low30.2Very low153 Ų153131.5 Ų131.582%0.81874%0.74SS**  trans-103.33-157.5-121.165.4000116.1
231D31.7Very low30.2Very low158 Ų158132.3 Ų132.385%0.84574%0.744SS**SBendtrans-127.928.5-155.3-143.78.4000113.9
232M31.3Very low30.2Very low146 Ų146136.2 Ų136.272%0.71975%0.75SS**SBendtrans-142.123.7-177.4-75.3-16571.100114.6V149V149-M232 HydrophobicContact CG1-CE 4.38Å; V149-M232 HydrophobicContact CG1-SD 3.99Å
233R28.6Very low30.1Very low223 Ų223141.8 Ų141.884%0.84277%0.773SS**  trans-139.264.2174.3-75.3-164.1176.7-167.31.6113.3
234N30.7Very low30.2Very low176 Ų176143 Ų14394%0.94177%0.772SS**  trans-148.766.2155.5-110.6-6.4000110.2
235A29.5Very low30.1Very low106 Ų106139.9 Ų139.988%0.87677%0.767SS**  trans-150.685179.800000111.4
236G26.9Very low29.5Very low71 Ų71141.1 Ų141.173%0.73278%0.783SS**  trans131.3142.6172.100000113.5
237I30.1Very low29.5Very low170 Ų170144.8 Ų144.887%0.87279%0.791SS**  cis-146.4146.3-1.1-62.5-179.1000108.1
238G23.5Very low29.5Very low77 Ų77146.3 Ų146.379%0.79480%0.8SS**  trans-144.9123.2168.900000112
239L30.8Very low29.5Very low173 Ų173148.4 Ų148.491%0.90680%0.803SS**  trans-101.5149.3172.2-78.6164.4000109.9
240A25.4Very low29.5Very low97 Ų97150.3 Ų150.380%0.80282%0.82SS**  trans-148.8130.716400000110
241D28.8Very low30.4Very low151 Ų151147.5 Ų147.581%0.80781%0.811SS**  trans-83.3152.2179.5-70.1-63.4000112.9
242Q26.3Very low30.2Very low194 Ų194146.6 Ų146.691%0.90781%0.806SS**  trans-155.5163146-115.8138110.200111.2
243Q26.9Very low30.2Very low171 Ų171146.9 Ų146.980%0.79981%0.807SS**  trans-112.3178.3-155.6-58.6170.9-97.600113.5
244L31.7Very low30.1Very low143 Ų143142.7 Ų142.775%0.74980%0.801SS**  trans79.7142.4167.6-42.6178.7000114.7
245E31.6Very low29.9Very low163 Ų163138.6 Ų138.676%0.76279%0.787SS**  cis-156.2-170.1-14.7-123163-172.800109.4
246D30.8Very low29.7Very low148 Ų148138.6 Ų138.679%0.79178%0.78SS**  trans-52.7154.5-173.2-56.7-48.7000116.9
247D30.8Very low29.6Very low156 Ų156144 Ų14483%0.83478%0.784SS**  -171.2172.997-132.4-30.1000114.4
248E34Very low29.5Very low173 Ų173142.1 Ų142.181%0.80878%0.78SS**  trans-74.7150.5-176.5-55.6-171102.300114.7
249D30.1Very low29.6Very low153 Ų153141.8 Ų141.882%0.81878%0.777SS**  167.3166.796.1-138.2-23000113.9
250L28.8Very low29.2Very low154 Ų154143.2 Ų143.281%0.80678%0.779SS**  trans-124.1-177.2176-91172.4000109.3
251P49.4Very low29.2Very low95 Ų95143.6 Ų143.662%0.61778%0.776SS**  cis-131-154.4-7.627.6-1.9000112.9
252D27.5Very low29.2Very low138 Ų138141.5 Ų141.574%0.73877%0.773SS**  trans83.7142144.1-74.6-13.4000121.6
253M31.2Very low29.1Very low152 Ų152142 Ų14275%0.74978%0.776SS**  cis-171.4149.2-28.8-129.2-71.5-175.600110
254N27.8Very low29.2Very low135 Ų135141.1 Ų141.172%0.72278%0.776SS**  trans65.6160.8158.2-125.6-2.3000116.3
255S25.1Very low29.1Very low90 Ų90141 Ų14163%0.62978%0.775SS**  cis-149.6150.3-2.1-20.80000111.5
256S27Very low29.2Very low106 Ų106141 Ų14174%0.74178%0.776SS**  15.4153.8121.5-63.90000121.1
257F23.3Very low29.2Very low185 Ų185140.1 Ų140.181%0.81177%0.77SS**  cis-179.3-177.2-8.9178.1-109.4000107.2
258T28.7Very low29.9Very low130 Ų130137 Ų13780%0.79876%0.757SS**  trans79.3149.2179.374.30000115.7
259G25.6Very low29.6Very low70 Ų70137.6 Ų137.672%0.72276%0.76SS**  cis153142.2-12.900000114.9
260E22.7Very low29.6Very low203 Ų203135.9 Ų135.995%0.94976%0.76SS**  trans68.4174.1169.1-151.8154.3-17600117.3
261S25.9Very low29.5Very low105 Ų105133.2 Ų133.273%0.73476%0.76SS**  trans-123.9164.5-157.1-62.10000113.4
262S28Very low28.6Very low108 Ų108139.3 Ų139.376%0.75577%0.771SS**  trans24.2123.1147.9-53.40000120.3
263E25.1Very low29.1Very low204 Ų204138.1 Ų138.195%0.95377%0.771SS**  -171.1-157.6100.955.5-167.3109.600112.8
264L27.4Very low28.9Very low153 Ų153140.8 Ų140.880%0.80177%0.774SS**  trans-129.1140.4-142-165.384.1000115.7
265D31.1Very low28.8Very low139 Ų139140.2 Ų140.274%0.74378%0.775SS**  trans58.5137.7156.4-97.6-52.2000121.9
266E32Very low29.7Very low164 Ų164141 Ų14177%0.76678%0.778SS**  -178.9140.6109.1-99.8-156.4139.200114.3
267I31.7Very low29.7Very low130 Ų130145.9 Ų145.967%0.66778%0.78SS**  trans74.2142.3139.2-74.1174.5000119.8
268P46Very low29.9Very low89 Ų89144.1 Ų144.158%0.57877%0.774SS**  cis-152.4-168.5-25.545.5-25.4000118.1
269H26.9Very low29.7Very low187 Ų187143.3 Ų143.387%0.86677%0.774SS**  trans98.3167.9150.7-64.8-17.8000122.1
270S30.1Very low29.7Very low116 Ų116147.4 Ų147.481%0.81178%0.779SS**  trans-126.1179.9-147.962.20000114.3
271A27.3Very low30.9Very low98 Ų98143.2 Ų143.281%0.8177%0.769SS**  cis-158.1-172.720.900000115.9
272R30.2Very low30.9Very low224 Ų224143.2 Ų143.285%0.84577%0.77SS**  trans-63.5172.5-179.3-97179.6174.1171.7-1.7116.1
273P37.8Very low30.9Very low113 Ų113148.6 Ų148.673%0.73478%0.775SS**  cis-155.4163.935.644.2-22.3000123
274Y27.4Very low31Very low207 Ų207142.8 Ų142.881%0.81276%0.761SS**  trans70172.9142.4-97.3-100.8000125.9
275V26.5Very low30.8Very low124 Ų124143.7 Ų143.775%0.75276%0.762SS**  trans-168.6-170.8-159-120.60000109.3
276P43.6Very low30.5Very low106 Ų106142.9 Ų142.969%0.68876%0.762SS**  cis-141.5-168.6-15.128.2-1.6000116.8
277R26.9Very low30.1Very low208 Ų208141.1 Ų141.179%0.78576%0.763SS**  trans101.4130.4146-72.5-161.8178.2-121.59.1124.7
278H26.8Very low30.4Very low148 Ų148140.7 Ų140.769%0.68577%0.768SS**  trans61.9132.6138.1-76-121.6000124.4
279S25.1Very low29.3Very low113 Ų113141.5 Ų141.579%0.7978%0.776SS**  154.4141.7115.4-62.40000115.1
280D25.1Very low30.6Very low157 Ų157138 Ų13884%0.8477%0.77SS**  trans-90.1-167.1166.6-42.3-83.8000111.4
281P49.2Very low30.3Very low114 Ų114138.2 Ų138.274%0.7477%0.772SS**  cis-138.8-176.6-10.239.1-19.3000116.2
282S25.4Very low30.2Very low106 Ų106137.8 Ų137.874%0.74177%0.768SS**  144.3134.7116.764.90000120.3
283Y27.4Very low29.9Very low221 Ų221133.3 Ų133.387%0.86777%0.765SS**  trans74.3132.1139.9-103.5-107.5000126.3
284A27Very low29.3Very low81 Ų81133.1 Ų133.167%0.66976%0.762SS**  trans66.8152144.100000122.6
285E23.3Very low29.2Very low172 Ų172131.2 Ų131.280%0.80476%0.761SS**  cis-170.4154.3-29.5-152.5176.1175.100111.1
286T25.3Very low29Very low122 Ų122130.3 Ų130.375%0.74876%0.76SS**  trans76.1147.7158.1-16.90000121.9
287T23.4Very low28.2Very low128 Ų128130.5 Ų130.579%0.78576%0.759SS**  trans-104.3-169.1173.852.40000110
288P38.3Very low28.4Very low120 Ų120128.1 Ų128.178%0.77976%0.757SS**  cis-140.7-168.37.744.6-23.3000117.5
289S22.2Very low28.5Very low107 Ų107128 Ų12875%0.74876%0.757SS**  trans-75.4-165.6178.1-15.20000114.4
290P53.8Low28.4Very low113 Ų113128 Ų12873%0.73475%0.752SS**  cis-135.2-175.3-24.835.5-16.8000113.9
291S23.5Very low28.3Very low121 Ų121126.8 Ų126.885%0.84675%0.746SS**  trans147.7153.4130.2-63.90000115.2
292A26.3Very low27.2Very low89 Ų89128.4 Ų128.474%0.73675%0.747SS**  trans-94.5168.3-173.500000114.7
293T23.3Very low27.2Very low129 Ų129130.2 Ų130.279%0.79174%0.744SS**  -176.7142.4119.930.30000115.3
294T26.2Very low27.2Very low109 Ų109127.9 Ų127.967%0.66975%0.746SS**  trans56.2120143.3580000124.7
295E23.7Very low27.1Very low168 Ų168127 Ų12779%0.78573%0.734SS**  78.4109.3124.1-64.1-176.512200123.6
296S23.3Very low27.3Very low104 Ų104127 Ų12773%0.72773%0.734SS**  57.7133.9118.4-54.10000122.5
297T27.4Very low28.1Very low110 Ų110126.2 Ų126.268%0.67573%0.731SS**  165109.4109-71.40000114.1
298Q29.7Very low28.4Very low159 Ų159125.8 Ų125.874%0.74373%0.73SS**  trans65.4158.7146.1-62.5175.712.600119.7
299Q29.5Very low28.2Very low144 Ų144125.9 Ų125.967%0.67373%0.731SS**  cis-165.5173.5-14.4-116.1170.310.100112.3
300T23.8Very low28.8Very low114 Ų114129.4 Ų129.470%0.69974%0.735SS**  trans124.2102.1145.561.60000114
301N23.1Very low28.3Very low132 Ų132128 Ų12871%0.70672%0.722SS**  91.9132.381.2-76.5-21.8000112.5
302L25.9Very low29.4Very low147 Ų147127.7 Ų127.777%0.7772%0.717SS**  cis-146.7155.3-9.6-77.8131.6000106.8
303H24.6Very low30.5Very low145 Ų145125.8 Ų125.867%0.67169%0.694SS**  cis92.796.517.3-161.687.6000116.9S305H303-S305 PolarHBondContact CD2-OG 2.84Å; H303-S305 PolarHBondContact NE2-OG 2.86Å
304L27Very low31.9Very low172 Ų172121.6 Ų121.690%0.90168%0.677SS**  trans-16181.3165.6-106.3150.1000105.4
305S26.1Very low33.3Very low61 Ų61122.2 Ų122.243%0.42768%0.683SS.*  62.6124.572-29.90000111.9H303H303-S305 PolarHBondContact CD2-OG 2.84Å; H303-S305 PolarHBondContact NE2-OG 2.86Å
306H26.7Very low35.3Very low174 Ų174116.6 Ų116.681%0.80666%0.658SS**  cis-143.2-179.419.4-104.7-55.3000112.7
307P42.2Very low37.6Very low104 Ų104114.1 Ų114.168%0.67564%0.639SS**  trans-102.6176.9-14042.7-39.7000116.1
308P29.5Very low38.7Very low120 Ų120116 Ų11678%0.77965%0.645SS**  -141.3170.9113.840.9-30.8000114
309P35Very low40Very low122 Ų122113.1 Ų113.179%0.79264%0.635SS**  -107.2177.2-54.538.4-28.5000111
310E34.7Very low41.9Very low180 Ų180109 Ų10984%0.84161%0.613SS**  trans-76.5143.8166.5-68.4-174.4122.200111.1P312E310-P312 VanDerWaalsContact O-CD 3.3Å; E310-P312 WeakPolarHBondContact O-CD 3.28Å
311D42.8Very low44.4Very low84 Ų84108.3 Ų108.345%0.44960%0.602SS.*  trans-67115.4165178.8-15.2000109L313 R346D311-L313 PolarHBondContact O-N 3.19Å; D311-L313 WeakPolarHBondContact OD1-CB 3.33Å; D311-L313 PolarHBondContact OD1-N 2.94Å; D311-R346 IonicContact OD1-CZ 3.3Å; D311-R346 IonicContact OD1-NH1 3.74Å; D311-R346 IonicContact OD1-NH2 3.07Å; D311-R346 IonicContact OD2-CZ 3.44Å; D311-R346 IonicContact OD2-NH1 2.83Å; D311-R346 PolarHBondContact OD2-NH1 3.03Å; D311-R346 IonicContact OD2-NH2 2.75Å; D311-R346 PolarHBondContact OD2-NH2 3.35Å
312P47.2Very low46.5Very low114 Ų114105.4 Ų105.474%0.7459%0.585SS**THydrogen-bonded Turntrans-68.38-170-2234.9000116.5E310E310-P312 VanDerWaalsContact O-CD 3.3Å; E310-P312 WeakPolarHBondContact O-CD 3.28Å
313L49.5Very low48.2Very low49 Ų4999.2 Ų99.226%0.25756%0.555SS.*THydrogen-bonded Turntrans-117.2-10.2-164.5-60.1177.5000115.3D311 D344 R346D311-L313 PolarHBondContact O-N 3.19Å; D311-L313 WeakPolarHBondContact OD1-CB 3.33Å; D311-L313 PolarHBondContact OD1-N 2.94Å; L313-D344 HydrophobicContact CD1-CB 4.34Å; L313-D344 WeakPolarHBondContact CD1-OD2 3.34Å; L313-R346 HydrophobicContact CB-CB 3.78Å; L313-R346 HydrophobicContact CB-CG 4.36Å; L313-R346 HydrophobicContact CD1-CB 4.32Å; L313-R346 HydrophobicContact CG-CB 4.46Å
314G51.2Low50.2Low41 Ų4198.9 Ų98.942%0.42355%0.549SS..  trans73.4-174.1-176.300000113.3R346G314-R346 WeakPolarHBondContact O-CD 3.28Å; G314-R346 PolarHBondContact O-NH1 2.95Å
315P56.1Low51.5Low123 Ų12392.2 Ų92.280%0.79952%0.515SS*.SBendtrans-67.1150.8-179.328.3-34.8000112.8
316L66.4Low52.2Low49 Ų4999.6 Ų99.626%0.25754%0.543SS..PPolyproline II helixtrans-65.8148.8177.9-74.4155.5000111.9M322 F332 P345 R346L316-M322 HydrophobicContact CD1-CB 3.68Å; L316-F332 HydrophobicContact CD1-CD1 4.43Å; L316-F332 HydrophobicContact CD1-CE1 4.41Å; L316-F332 HydrophobicContact CD2-CD1 3.72Å; L316-F332 HydrophobicContact CD2-CE1 3.82Å; L316-P345 HydrophobicContact CD2-CG 3.69Å; L316-R346 HydrophobicContact CD2-CG 4.04Å
317P71.9Confident52.9Low53 Ų5396.5 Ų96.534%0.34454%0.537SS..PPolyproline II helixtrans-62.4151.8176.6-22.834.9000113.1N319 W320 P345P317-N319 PolarHBondContact O-N 2.81Å; P317-W320 WeakPolarHBondContact O-CB 3.49Å; P317-W320 PolarHBondContact O-N 3.28Å; P317-P345 HydrophobicContact CG-CB 4.2Å; P317-P345 HydrophobicContact CG-CG 4.33Å
318D49.2Very low53.2Low148 Ų14893.9 Ų93.979%0.79153%0.529SS*.THydrogen-bonded Turntrans-53.8129.1-179.4-79-34.8000112.4W320D318-W320 VanDerWaalsContact C-N 3.31Å
319N57.5Low54.1Low99 Ų9993.5 Ų93.553%0.52952%0.516SS..THydrogen-bonded Turntrans70.613.7-175.8-42.5-92.8000115.3P317 H335P317-N319 PolarHBondContact O-N 2.81Å; N319-H335 HydrophobicContact CB-CB 4.13Å; N319-H335 VanDerWaalsContact O-CB 3.31Å; N319-H335 WeakPolarHBondContact O-CB 3.5Å; N319-H335 PolarHBondContact O-N 2.82Å
320W69.3Low55.2Low58 Ų5890.4 Ų90.422%0.2250%0.495CS..EExtended strand (participates in β ladder)trans-98.7130.5161.4-73.675.2000111.1P317 D318 F332 I333 D334 P345P317-W320 WeakPolarHBondContact O-CB 3.49Å; P317-W320 PolarHBondContact O-N 3.28Å; D318-W320 VanDerWaalsContact C-N 3.31Å; W320-F332 HydrophobicContact CE3-CB 4.07Å; W320-F332 HydrophobicContact CZ3-CB 4.3Å; W320-I333 WeakPolarHBondContact CA-O 3.33Å; W320-D334 HydrophobicContact CD2-CB 3.87Å; W320-D334 HydrophobicContact CE3-CB 4.01Å; W320-D334 HydrophobicContact CH2-CB 3.81Å; W320-D334 HydrophobicContact CZ2-CB 3.61Å; W320-D334 HydrophobicContact CZ3-CB 3.99Å; W320-P345 HydrophobicContact CB-CG 3.97Å; W320-P345 HydrophobicContact CD2-CB 3.6Å; W320-P345 HydrophobicContact CD2-CG 3.61Å; W320-P345 HydrophobicContact CE3-CB 3.69Å; W320-P345 HydrophobicContact CE3-CG 3.51Å; W320-P345 HydrophobicContact CG-CB 4.1Å; W320-P345 HydrophobicContact CG-CG 3.84Å; W320-P345 HydrophobicContact CH2-CB 4.11Å; W320-P345 HydrophobicContact CZ2-CB 4.07Å; W320-P345 HydrophobicContact CZ3-CB 3.94Å; W320-P345 HydrophobicContact CZ3-CG 4.13Å
321E76.9Confident56.8Low99 Ų9984.6 Ų84.646%0.46347%0.466SS..EExtended strand (participates in β ladder)trans-117.2131-178.5178.5177.2-160.800110.2F332 I333 H335E321-F332 CarbonylContact O-C 3.56Å; E321-F332 WeakPolarHBondContact O-CA 3.35Å; E321-I333 HydrophobicContact CB-CB 4.38Å; E321-I333 PolarHBondContact N-O 2.77Å; E321-I333 PolarHBondContact O-N 3.23Å; E321-H335 IonicContact OE2-CD2 3.45Å; E321-H335 IonicContact OE2-CE1 3.53Å; E321-H335 IonicContact OE2-NE2 2.77Å; E321-H335 PolarHBondContact OE2-NE2 2.89Å
322M67.8Low58.5Low71 Ų7181.1 Ų81.135%0.3545%0.447SS..EExtended strand (participates in β ladder)trans-86.8122.1170.2-176.8176.667.600109.5L316 Y324 V330 F332L316-M322 HydrophobicContact CD1-CB 3.68Å; M322-Y324 HydrophobicContact CE-CE2 4.29Å; M322-Y324 WeakPolarHBondContact CE-OH 3.3Å; M322-V330 HydrophobicContact CG-CG1 3.61Å; M322-V330 HydrophobicContact SD-CG1 3.75Å; M322-F332 HydrophobicContact CB-CD1 3.86Å; M322-F332 HydrophobicContact CB-CE1 3.8Å; M322-F332 HydrophobicContact CG-CD1 4.05Å; M322-F332 HydrophobicContact CG-CE1 3.63Å; M322-F332 HydrophobicContact CG-CZ 4.23Å; M322-F332 HydrophobicContact SD-CE1 3.82Å; M322-F332 HydrophobicContact SD-CZ 4.16Å
323A61.6Low59.2Low17 Ų1777.3 Ų77.314%0.1442%0.42CS..EExtended strand (participates in β ladder)trans-121168179.200000110.5Y331 I333A323-Y331 HydrophobicContact CB-CD1 4.39Å; A323-Y331 HydrophobicContact CB-CD2 4.32Å; A323-Y331 HydrophobicContact CB-CE1 3.92Å; A323-Y331 HydrophobicContact CB-CE2 3.84Å; A323-Y331 PolarHBondContact N-O 3.28Å; A323-Y331 PolarHBondContact O-N 2.98Å; A323-Y331 VanDerWaalsContact O-O 3.04Å; A323-I333 HydrophobicContact CB-CD1 3.84Å; A323-I333 HydrophobicContact CB-CG1 4.19Å
324Y66.6Low60.1Low138 Ų13875.5 Ų75.554%0.54141%0.411SS..EExtended strand (participates in β ladder)trans-126.2143.8179.2-63.3-99000109.5M322 E329 V330M322-Y324 HydrophobicContact CE-CE2 4.29Å; M322-Y324 WeakPolarHBondContact CE-OH 3.3Å; Y324-E329 CarbonylContact C-O 3.52Å; Y324-E329 VanDerWaalsContact CA-O 3.29Å; Y324-E329 WeakPolarHBondContact CA-O 3.44Å; Y324-V330 HydrophobicContact CD1-CG2 3.94Å; Y324-V330 HydrophobicContact CE1-CG2 3.5Å; Y324-V330 VanDerWaalsContact CE1-CG2 3.5Å
325T52.4Low60.1Low33 Ų3376.9 Ų76.920%0.20241%0.406CS..  trans-69.5168.5170.460.10000111.4T327 G328 E329 Y331 W342T325-T327 WeakPolarHBondContact CB-OG1 3.31Å; T325-T327 PolarHBondContact O-N 2.93Å; T325-T327 VanDerWaalsContact O-N 3.17Å; T325-T327 PolarHBondContact OG1-N 2.85Å; T325-T327 PolarHBondContact OG1-OG1 3.49Å; T325-G328 PolarHBondContact O-N 2.79Å; T325-G328 PolarHBondContact OG1-N 3.01Å; T325-G328 VanDerWaalsContact OG1-N 3.15Å; T325-E329 HydrophobicContact CG2-CB 4.17Å; T325-E329 PolarHBondContact N-O 3.09Å; T325-E329 WeakPolarHBondContact OG1-CB 3.46Å; T325-E329 PolarHBondContact OG1-N 2.79Å; T325-E329 PolarHBondContact OG1-OE2 2.84Å; T325-Y331 HydrophobicContact CG2-CD1 3.98Å; T325-Y331 HydrophobicContact CG2-CE1 4.1Å; T325-W342 HydrophobicContact CG2-CH2 3.52Å; T325-W342 HydrophobicContact CG2-CZ3 3.69Å
326E41.2Very low60.1Low215 Ų21575.9 Ų75.9100%1.00539%0.394SS*.THydrogen-bonded Turntrans-63.5-14.8169.3-61.5-178.2175.500112.7
327T43Very low59.5Low110 Ų11077.7 Ų77.768%0.67541%0.407SS*.THydrogen-bonded Turntrans-90.5-6.6170.636.30000114.1T325 E329T325-T327 WeakPolarHBondContact CB-OG1 3.31Å; T325-T327 PolarHBondContact O-N 2.93Å; T325-T327 VanDerWaalsContact O-N 3.17Å; T325-T327 PolarHBondContact OG1-N 2.85Å; T325-T327 PolarHBondContact OG1-OG1 3.49Å; T327-E329 WeakPolarHBondContact CB-OE2 3.46Å; T327-E329 PolarHBondContact OG1-OE2 2.86Å
328G46.6Very low59Low49 Ų4982 Ų8251%0.50542%0.421SS..  trans90.311.2177.900000115.8T325T325-G328 PolarHBondContact O-N 2.79Å; T325-G328 PolarHBondContact OG1-N 3.01Å; T325-G328 VanDerWaalsContact OG1-N 3.15Å
329E48.8Very low58.6Low111 Ų11178.4 Ų78.452%0.51940%0.404SS..  trans-88.3138-177.3-61160.3104.600111.2Y324 T325 T327Y324-E329 CarbonylContact C-O 3.52Å; Y324-E329 VanDerWaalsContact CA-O 3.29Å; Y324-E329 WeakPolarHBondContact CA-O 3.44Å; T325-E329 HydrophobicContact CG2-CB 4.17Å; T325-E329 PolarHBondContact N-O 3.09Å; T325-E329 WeakPolarHBondContact OG1-CB 3.46Å; T325-E329 PolarHBondContact OG1-N 2.79Å; T325-E329 PolarHBondContact OG1-OE2 2.84Å; T327-E329 WeakPolarHBondContact CB-OE2 3.46Å; T327-E329 PolarHBondContact OG1-OE2 2.86Å
330V59.5Low58.7Low58 Ų5878 Ų7835%0.35241%0.405SS..EExtended strand (participates in β ladder)trans-76.9134.9-174.9-179.20000111.7M322 Y324 F332M322-V330 HydrophobicContact CG-CG1 3.61Å; M322-V330 HydrophobicContact SD-CG1 3.75Å; Y324-V330 HydrophobicContact CD1-CG2 3.94Å; Y324-V330 HydrophobicContact CE1-CG2 3.5Å; Y324-V330 VanDerWaalsContact CE1-CG2 3.5Å; V330-F332 HydrophobicContact CG1-CD2 4.5Å; V330-F332 HydrophobicContact CG1-CE1 4.27Å; V330-F332 HydrophobicContact CG1-CE2 3.73Å; V330-F332 HydrophobicContact CG1-CZ 3.61Å
331Y66.9Low57.9Low57 Ų5776.6 Ų76.622%0.22440%0.404CS..EExtended strand (participates in β ladder)trans-143.5161.916469.7-85000111.5A323 T325 I333 T340 W342A323-Y331 HydrophobicContact CB-CD1 4.39Å; A323-Y331 HydrophobicContact CB-CD2 4.32Å; A323-Y331 HydrophobicContact CB-CE1 3.92Å; A323-Y331 HydrophobicContact CB-CE2 3.84Å; A323-Y331 PolarHBondContact N-O 3.28Å; A323-Y331 PolarHBondContact O-N 2.98Å; A323-Y331 VanDerWaalsContact O-O 3.04Å; T325-Y331 HydrophobicContact CG2-CD1 3.98Å; T325-Y331 HydrophobicContact CG2-CE1 4.1Å; Y331-I333 HydrophobicContact CD2-CG1 4.02Å; Y331-I333 HydrophobicContact CE2-CD1 3.73Å; Y331-I333 HydrophobicContact CE2-CG1 3.68Å; Y331-T340 HydrophobicContact CD2-CG2 4.27Å; Y331-T340 HydrophobicContact CE2-CG2 4.08Å; Y331-W342 HydrophobicContact CD1-CH2 4.37Å; Y331-W342 HydrophobicContact CD1-CZ3 4.15Å; Y331-W342 HydrophobicContact CG-CZ3 4.33Å
332F78.2Confident57.4Low12 Ų1279.8 Ų79.85%0.05341%0.412CS..EExtended strand (participates in β ladder)trans-118.4138.3-173.4-55.5-90.5000110.6L316 W320 E321 M322 V330 T340 S341 D344L316-F332 HydrophobicContact CD1-CD1 4.43Å; L316-F332 HydrophobicContact CD1-CE1 4.41Å; L316-F332 HydrophobicContact CD2-CD1 3.72Å; L316-F332 HydrophobicContact CD2-CE1 3.82Å; W320-F332 HydrophobicContact CE3-CB 4.07Å; W320-F332 HydrophobicContact CZ3-CB 4.3Å; E321-F332 CarbonylContact O-C 3.56Å; E321-F332 WeakPolarHBondContact O-CA 3.35Å; M322-F332 HydrophobicContact CB-CD1 3.86Å; M322-F332 HydrophobicContact CB-CE1 3.8Å; M322-F332 HydrophobicContact CG-CD1 4.05Å; M322-F332 HydrophobicContact CG-CE1 3.63Å; M322-F332 HydrophobicContact CG-CZ 4.23Å; M322-F332 HydrophobicContact SD-CE1 3.82Å; M322-F332 HydrophobicContact SD-CZ 4.16Å; V330-F332 HydrophobicContact CG1-CD2 4.5Å; V330-F332 HydrophobicContact CG1-CE1 4.27Å; V330-F332 HydrophobicContact CG1-CE2 3.73Å; V330-F332 HydrophobicContact CG1-CZ 3.61Å; F332-T340 CarbonylContact O-C 3.56Å; F332-T340 WeakPolarHBondContact O-CA 3.38Å; F332-S341 PolarHBondContact N-O 2.95Å; F332-S341 PolarHBondContact O-N 3.1Å; F332-D344 HydrophobicContact CD2-CB 4.2Å; F332-D344 HydrophobicContact CE1-CB 4.25Å; F332-D344 HydrophobicContact CE2-CB 3.65Å; F332-D344 HydrophobicContact CZ-CB 3.67Å; F332-D344 VanDerWaalsContact CZ-OD2 3.28Å; F332-D344 WeakPolarHBondContact CZ-OD2 3.34Å
333I63.1Low56.9Low33 Ų3381 Ų8117%0.16942%0.419CS..EExtended strand (participates in β ladder)trans-115.7117.4-174.2-47.8-172.7000109W320 E321 A323 Y331 H335 T340W320-I333 WeakPolarHBondContact CA-O 3.33Å; E321-I333 HydrophobicContact CB-CB 4.38Å; E321-I333 PolarHBondContact N-O 2.77Å; E321-I333 PolarHBondContact O-N 3.23Å; A323-I333 HydrophobicContact CB-CD1 3.84Å; A323-I333 HydrophobicContact CB-CG1 4.19Å; Y331-I333 HydrophobicContact CD2-CG1 4.02Å; Y331-I333 HydrophobicContact CE2-CD1 3.73Å; Y331-I333 HydrophobicContact CE2-CG1 3.68Å; I333-H335 PolarHBondContact O-N 2.83Å; I333-T340 HydrophobicContact CB-CG2 4.43Å; I333-T340 HydrophobicContact CG1-CG2 4.04Å; I333-T340 HydrophobicContact CG2-CG2 4.17Å
334D67.9Low57.2Low12 Ų1281 Ų816%0.06442%0.417CS..EExtended strand (participates in β ladder)trans-85.5107.7170.9179.48.8000110W320 N336 T337 K338 T339W320-D334 HydrophobicContact CD2-CB 3.87Å; W320-D334 HydrophobicContact CE3-CB 4.01Å; W320-D334 HydrophobicContact CH2-CB 3.81Å; W320-D334 HydrophobicContact CZ2-CB 3.61Å; W320-D334 HydrophobicContact CZ3-CB 3.99Å; D334-N336 PolarHBondContact O-N 3.43Å; D334-N336 WeakPolarHBondContact OD1-CA 3.47Å; D334-N336 VanDerWaalsContact OD1-CB 3.26Å; D334-N336 WeakPolarHBondContact OD1-CB 3.47Å; D334-N336 PolarHBondContact OD1-N 2.96Å; D334-N336 PolarHBondContact OD1-ND2 3.4Å; D334-N336 VanDerWaalsContact OD1-ND2 3.07Å; D334-T337 VanDerWaalsContact CG-OG1 3.27Å; D334-T337 PolarHBondContact OD1-N 2.9Å; D334-T337 VanDerWaalsContact OD2-CB 3.23Å; D334-T337 WeakPolarHBondContact OD2-CB 3.25Å; D334-T337 WeakPolarHBondContact OD2-CG2 3.46Å; D334-T337 PolarHBondContact OD2-N 3.38Å; D334-T337 PolarHBondContact OD2-OG1 3.01Å; D334-K338 WeakPolarHBondContact O-CA 3.42Å; D334-K338 PolarHBondContact O-N 3.48Å; D334-T339 PolarHBondContact N-O 3.36Å; D334-T339 PolarHBondContact O-N 3.48Å
335H52Low56.8Low69 Ų6974.8 Ų74.832%0.31939%0.394SS..THydrogen-bonded Turntrans-75.7-8.3177.8-75.5-82.8000114.1N319 E321 I333 K338N319-H335 HydrophobicContact CB-CB 4.13Å; N319-H335 VanDerWaalsContact O-CB 3.31Å; N319-H335 WeakPolarHBondContact O-CB 3.5Å; N319-H335 PolarHBondContact O-N 2.82Å; E321-H335 IonicContact OE2-CD2 3.45Å; E321-H335 IonicContact OE2-CE1 3.53Å; E321-H335 IonicContact OE2-NE2 2.77Å; E321-H335 PolarHBondContact OE2-NE2 2.89Å; I333-H335 PolarHBondContact O-N 2.83Å; H335-K338 PolarHBondContact ND1-NZ 3.21Å; H335-K338 VanDerWaalsContact ND1-NZ 3.12Å; H335-K338 WeakPolarHBondContact O-CD 3.19Å; H335-K338 WeakPolarHBondContact O-CE 3.48Å; H335-K338 PolarHBondContact O-NZ 3.16Å
336N54.7Low57.3Low103 Ų10374.8 Ų74.855%0.55139%0.39SS*.THydrogen-bonded Turntrans-82.9-53.4172.8-53.7-68.8000111.3D334D334-N336 PolarHBondContact O-N 3.43Å; D334-N336 WeakPolarHBondContact OD1-CA 3.47Å; D334-N336 VanDerWaalsContact OD1-CB 3.26Å; D334-N336 WeakPolarHBondContact OD1-CB 3.47Å; D334-N336 PolarHBondContact OD1-N 2.96Å; D334-N336 PolarHBondContact OD1-ND2 3.4Å; D334-N336 VanDerWaalsContact OD1-ND2 3.07Å
337T55.1Low58.2Low87 Ų8766.9 Ų66.953%0.53436%0.358SS..THydrogen-bonded Turntrans-82.8-13.9178.5630000113.8D334 T339D334-T337 VanDerWaalsContact CG-OG1 3.27Å; D334-T337 PolarHBondContact OD1-N 2.9Å; D334-T337 VanDerWaalsContact OD2-CB 3.23Å; D334-T337 WeakPolarHBondContact OD2-CB 3.25Å; D334-T337 WeakPolarHBondContact OD2-CG2 3.46Å; D334-T337 PolarHBondContact OD2-N 3.38Å; D334-T337 PolarHBondContact OD2-OG1 3.01Å; T337-T339 VanDerWaalsContact C-N 3.35Å; T337-T339 PolarHBondContact OG1-OG1 2.87Å
338K59.9Low58.5Low144 Ų14467.4 Ų67.463%0.62636%0.356SS*.THydrogen-bonded Turntrans5746.5-170.5-58.5-51.1-170.4-162.30112.2D334 H335D334-K338 WeakPolarHBondContact O-CA 3.42Å; D334-K338 PolarHBondContact O-N 3.48Å; H335-K338 PolarHBondContact ND1-NZ 3.21Å; H335-K338 VanDerWaalsContact ND1-NZ 3.12Å; H335-K338 WeakPolarHBondContact O-CD 3.19Å; H335-K338 WeakPolarHBondContact O-CE 3.48Å; H335-K338 PolarHBondContact O-NZ 3.16Å
339T42.8Very low58.4Low72 Ų7272.3 Ų72.344%0.44237%0.371SS..EExtended strand (participates in β ladder)trans-118.8160.3174.364.80000111D334 T337D334-T339 PolarHBondContact N-O 3.36Å; D334-T339 PolarHBondContact O-N 3.48Å; T337-T339 VanDerWaalsContact C-N 3.35Å; T337-T339 PolarHBondContact OG1-OG1 2.87Å
340T59Low57.7Low89 Ų8973.7 Ų73.755%0.54638%0.375SS..EExtended strand (participates in β ladder)trans-118.3146.9172.457.50000110Y331 F332 I333Y331-T340 HydrophobicContact CD2-CG2 4.27Å; Y331-T340 HydrophobicContact CE2-CG2 4.08Å; F332-T340 CarbonylContact O-C 3.56Å; F332-T340 WeakPolarHBondContact O-CA 3.38Å; I333-T340 HydrophobicContact CB-CG2 4.43Å; I333-T340 HydrophobicContact CG1-CG2 4.04Å; I333-T340 HydrophobicContact CG2-CG2 4.17Å
341S52.7Low56.5Low30 Ų3077 Ų7721%0.2140%0.397CS..EExtended strand (participates in β ladder)trans-137.4133.5-174.2176.80000109.6F332 L343F332-S341 PolarHBondContact N-O 2.95Å; F332-S341 PolarHBondContact O-N 3.1Å; S341-L343 PolarHBondContact OG-N 3.31Å; S341-L343 PolarHBondContact OG-O 2.94Å
342W66.8Low55.1Low166 Ų16683.5 Ų83.563%0.62943%0.43SS*.SBendtrans-80.2-7.1169.2-55.995.4000112.2T325 Y331T325-W342 HydrophobicContact CG2-CH2 3.52Å; T325-W342 HydrophobicContact CG2-CZ3 3.69Å; Y331-W342 HydrophobicContact CD1-CH2 4.37Å; Y331-W342 HydrophobicContact CD1-CZ3 4.15Å; Y331-W342 HydrophobicContact CG-CZ3 4.33Å
343L57.2Low52.8Low96 Ų9692.3 Ų92.350%0.50347%0.468SS..SBendtrans-99.8135.4175.2-59174.9000110.2S341S341-L343 PolarHBondContact OG-N 3.31Å; S341-L343 PolarHBondContact OG-O 2.94Å
344D67.7Low51.7Low17 Ų1795.4 Ų95.49%0.09149%0.491CS..  trans-67.3127.2177.9-166.9-41.9000111.5L313 F332 R346 C347L313-D344 HydrophobicContact CD1-CB 4.34Å; L313-D344 WeakPolarHBondContact CD1-OD2 3.34Å; F332-D344 HydrophobicContact CD2-CB 4.2Å; F332-D344 HydrophobicContact CE1-CB 4.25Å; F332-D344 HydrophobicContact CE2-CB 3.65Å; F332-D344 HydrophobicContact CZ-CB 3.67Å; F332-D344 VanDerWaalsContact CZ-OD2 3.28Å; F332-D344 WeakPolarHBondContact CZ-OD2 3.34Å; D344-R346 VanDerWaalsContact CG-NE 3.34Å; D344-R346 PolarHBondContact O-N 3.27Å; D344-R346 WeakPolarHBondContact OD1-CB 3.34Å; D344-R346 VanDerWaalsContact OD1-CG 3.25Å; D344-R346 WeakPolarHBondContact OD1-CG 3.48Å; D344-R346 IonicContact OD1-CZ 2.71Å; D344-R346 PolarHBondContact OD1-N 3.44Å; D344-R346 IonicContact OD1-NE 3.76Å; D344-R346 PolarHBondContact OD1-NE 3.36Å; D344-R346 IonicContact OD2-CZ 3.21Å; D344-R346 IonicContact OD2-NE 2.85Å; D344-R346 PolarHBondContact OD2-NE 3.18Å; D344-R346 IonicContact OD2-NH2 3.97Å; D344-R346 PolarHBondContact OD2-NH2 2.95Å; D344-C347 WeakPolarHBondContact O-CB 3.36Å; D344-C347 PolarHBondContact O-N 3.27Å
345P58Low50.3Low8 Ų8102.2 Ų102.25%0.05253%0.526CS..G310 helixtrans-61-26.1177.528.3-38.6000113.1L316 P317 W320 C347 L348L316-P345 HydrophobicContact CD2-CG 3.69Å; P317-P345 HydrophobicContact CG-CB 4.2Å; P317-P345 HydrophobicContact CG-CG 4.33Å; W320-P345 HydrophobicContact CB-CG 3.97Å; W320-P345 HydrophobicContact CD2-CB 3.6Å; W320-P345 HydrophobicContact CD2-CG 3.61Å; W320-P345 HydrophobicContact CE3-CB 3.69Å; W320-P345 HydrophobicContact CE3-CG 3.51Å; W320-P345 HydrophobicContact CG-CB 4.1Å; W320-P345 HydrophobicContact CG-CG 3.84Å; W320-P345 HydrophobicContact CH2-CB 4.11Å; W320-P345 HydrophobicContact CZ2-CB 4.07Å; W320-P345 HydrophobicContact CZ3-CB 3.94Å; W320-P345 HydrophobicContact CZ3-CG 4.13Å; P345-C347 PolarHBondContact O-N 3.18Å; P345-L348 WeakPolarHBondContact O-CB 3.47Å; P345-L348 PolarHBondContact O-N 2.86Å; P345-L348 VanDerWaalsContact O-N 3.11Å
346R62.3Low50Low32 Ų32106.4 Ų106.412%0.12155%0.546CS..G310 helixtrans-67.5-19.3176.9-57.6170.3-72.7178.96.8112.6D311 L313 G314 L316 D344D311-R346 IonicContact OD1-CZ 3.3Å; D311-R346 IonicContact OD1-NH1 3.74Å; D311-R346 IonicContact OD1-NH2 3.07Å; D311-R346 IonicContact OD2-CZ 3.44Å; D311-R346 IonicContact OD2-NH1 2.83Å; D311-R346 PolarHBondContact OD2-NH1 3.03Å; D311-R346 IonicContact OD2-NH2 2.75Å; D311-R346 PolarHBondContact OD2-NH2 3.35Å; L313-R346 HydrophobicContact CB-CB 3.78Å; L313-R346 HydrophobicContact CB-CG 4.36Å; L313-R346 HydrophobicContact CD1-CB 4.32Å; L313-R346 HydrophobicContact CG-CB 4.46Å; G314-R346 WeakPolarHBondContact O-CD 3.28Å; G314-R346 PolarHBondContact O-NH1 2.95Å; L316-R346 HydrophobicContact CD2-CG 4.04Å; D344-R346 VanDerWaalsContact CG-NE 3.34Å; D344-R346 PolarHBondContact O-N 3.27Å; D344-R346 WeakPolarHBondContact OD1-CB 3.34Å; D344-R346 VanDerWaalsContact OD1-CG 3.25Å; D344-R346 WeakPolarHBondContact OD1-CG 3.48Å; D344-R346 IonicContact OD1-CZ 2.71Å; D344-R346 PolarHBondContact OD1-N 3.44Å; D344-R346 IonicContact OD1-NE 3.76Å; D344-R346 PolarHBondContact OD1-NE 3.36Å; D344-R346 IonicContact OD2-CZ 3.21Å; D344-R346 IonicContact OD2-NE 2.85Å; D344-R346 PolarHBondContact OD2-NE 3.18Å; D344-R346 IonicContact OD2-NH2 3.97Å; D344-R346 PolarHBondContact OD2-NH2 2.95Å
347C60Low49.3Very low50 Ų50110.3 Ų110.334%0.33856%0.561SS.*G310 helixtrans-82-11.5174-67.70000113.5D344 P345D344-C347 WeakPolarHBondContact O-CB 3.36Å; D344-C347 PolarHBondContact O-N 3.27Å; P345-C347 PolarHBondContact O-N 3.18Å
348L50.1Low48.1Very low120 Ų120112.7 Ų112.763%0.62858%0.579SS**THydrogen-bonded Turntrans-85.8-24.9-178.8-63.5172.5000113.3P345P345-L348 WeakPolarHBondContact O-CB 3.47Å; P345-L348 PolarHBondContact O-N 2.86Å; P345-L348 VanDerWaalsContact O-N 3.11Å
349D43.3Very low46.9Very low153 Ų153115 Ų11582%0.81859%0.592SS**  trans-106.657.6-175.3-97.2-32.1000113.3
350K35.1Very low46.8Very low140 Ų140119.1 Ų119.161%0.60961%0.612SS**  trans-126.1126162.5-76.5176-178.8165.70110.1
351P33.3Very low45.5Very low126 Ų126122 Ų12282%0.81862%0.624SS**PPolyproline II helixtrans-70.1152.4-177.329.4-35.3000111.9K353P351-K353 PolarHBondContact O-N 3.31Å
352Q37.4Very low44.8Very low195 Ų195129.1 Ų129.191%0.91165%0.654SS**PPolyproline II helixtrans-57.7129.7-178.3-67.3-176.7-43.500112.7
353K31.3Very low43Very low196 Ų196124.9 Ų124.985%0.85266%0.661SS**PPolyproline II helixtrans-84.5136.6149.3-89.7-167.7167.6-163.80109.1P351P351-K353 PolarHBondContact O-N 3.31Å
354P39.5Very low42Very low99 Ų99126.5 Ų126.564%0.64368%0.675SS**PPolyproline II helixtrans-75.7166.2172.632.7-35000112.2E356P354-E356 VanDerWaalsContact C-N 3.28Å; P354-E356 PolarHBondContact O-N 3.3Å
355L39.1Very low40.2Very low155 Ų155133.9 Ų133.981%0.81271%0.709SS**SBendtrans-82.664.8-178.4-72.5165.2000112.8R411L355-R411 PolarHBondContact O-NH2 2.89Å
356E45.1Very low39.4Very low157 Ų157138.4 Ų138.473%0.73474%0.737SS**  trans-134152.7171.3-64.1-178.9142.300108.7P354P354-E356 VanDerWaalsContact C-N 3.28Å; P354-E356 PolarHBondContact O-N 3.3Å
357E38.9Very low38.3Very low185 Ų185145.8 Ų145.886%0.86477%0.772SS**  trans64.473.7-171.2-61.6-174.5168.300116.5
358C29.9Very low37.3Very low136 Ų136152.8 Ų152.892%0.91980%0.8SS**  trans-154.382137.9-90.50000107.2
359E35.6Very low36.8Very low193 Ų193154.3 Ų154.390%0.90281%0.808SS**  trans-95.6160166.2-72-171.1122.400109.8
360D39.7Very low36.4Very low159 Ų159153 Ų15385%0.8580%0.801SS**  trans-67.5156.4-175.7-46.2-82.3000112.7
361D33.5Very low36.9Very low149 Ų149153.5 Ų153.580%0.79781%0.81SS**  -173.7168.198.4-146.1-12000113.6
362E37.2Very low37.6Very low179 Ų179152.1 Ų152.184%0.83680%0.795SS**  trans56.6112.3163.7-58-155.2151.400120.3
363G28.4Very low38.3Very low77 Ų77151.9 Ų151.979%0.79480%0.795SS**  trans166.368.5163.700000117.5H365G363-H365 PolarHBondContact O-N 3.42Å
364V37.1Very low39.9Very low130 Ų130144.2 Ų144.279%0.78876%0.763SS**  trans-42.1115.6175.9177.60000114.2
365H30.1Very low40.7Very low173 Ų173142 Ų14280%0.80175%0.748SS**  -162.4-178.2122.5-115.6-66.2000114.5G363G363-H365 PolarHBondContact O-N 3.42Å
366T39.9Very low41Very low103 Ų103141.1 Ų141.163%0.63274%0.74SS**  trans-114.4141.2-155.744.40000113.1
367E40.3Very low41.4Very low186 Ų186134.8 Ų134.887%0.86972%0.717SS**SBendtrans81.7146162.5-37.9-148.8171.300117.5
368E38.8Very low42.9Very low198 Ų198128.6 Ų128.693%0.92569%0.685SS**  trans57.4121.6-174.7-58.8-169154.800117.6
369L39.5Very low45Very low151 Ų151126.3 Ų126.379%0.79166%0.661SS**  trans-156.374.6-177.7-166.984000112
370D35.7Very low47.1Very low125 Ų125120.4 Ų120.467%0.66863%0.632SS**  trans-111.5-10.9-179.6-130.7-62.4000114.4K380D370-K380 PolarHBondContact O-NZ 2.76Å; D370-K380 IonicContact OD1-NZ 3.67Å; D370-K380 PolarHBondContact OD1-NZ 3.26Å
371D43.6Very low48.9Very low152 Ų152115.1 Ų115.181%0.81360%0.603SS**  trans-106.489.1-179.4-72.4-36.8000111.9
372L49.1Very low49.9Very low96 Ų96113.5 Ų113.550%0.50360%0.595SS.*  trans-104.9114.6162.4-70.9175.3000108.9L374 L404L372-L374 PolarHBondContact O-N 3.24Å; L372-L404 HydrophobicContact CB-CD1 4.33Å
373E51.3Low51.3Low191 Ų191106.9 Ų106.989%0.89357%0.565SS**PPolyproline II helixtrans-57.8122.9-176.3-169.5175.4-156.800111.5L404E373-L404 WeakPolarHBondContact O-CD1 3.46Å
374L66.4Low52.2Low35 Ų35109.8 Ų109.818%0.18357%0.57CS.*PPolyproline II helixtrans-79.3155.2-171.8-72.3175000112.7L372 H376 W378 K380 Y390 L404L372-L374 PolarHBondContact O-N 3.24Å; L374-H376 PolarHBondContact O-N 2.89Å; L374-W378 HydrophobicContact CB-CB 4.07Å; L374-W378 WeakPolarHBondContact CB-O 3.49Å; L374-W378 HydrophobicContact CD1-CB 4.37Å; L374-K380 HydrophobicContact CD1-CB 3.98Å; L374-Y390 HydrophobicContact CD1-CD1 3.82Å; L374-Y390 HydrophobicContact CD1-CE1 4.17Å; L374-Y390 HydrophobicContact CD2-CD1 4.03Å; L374-Y390 HydrophobicContact CD2-CE1 4.08Å; L374-L404 HydrophobicContact CD2-CD1 4.36Å
375P56.3Low52.4Low52 Ų52109 Ų10934%0.33857%0.566SS.*PPolyproline II helixtrans-57.8140.1174.3-21.232.4000111.5G377 W378 L404P375-G377 PolarHBondContact O-N 3.3Å; P375-W378 WeakPolarHBondContact O-CB 3.44Å; P375-W378 PolarHBondContact O-N 2.93Å; P375-L404 HydrophobicContact CG-CD2 3.68Å; P375-L404 HydrophobicContact CG-CG 4.26Å
376H44.8Very low52.9Low137 Ų137108.2 Ų108.263%0.63456%0.556SS**THydrogen-bonded Turntrans-48.4123.3-177.1-175.9-80.4000112.5L374 I394L374-H376 PolarHBondContact O-N 2.89Å; H376-I394 VanDerWaalsContact O-CD1 3.27Å; H376-I394 WeakPolarHBondContact O-CD1 3.43Å
377G53.7Low53.4Low24 Ų24104.7 Ų104.725%0.24754%0.541CS..THydrogen-bonded Turntrans95.8-4.9-174.500000115.3P375 H393P375-G377 PolarHBondContact O-N 3.3Å; G377-H393 PolarHBondContact O-N 3.37Å
378W69.4Low54.6Low55 Ų5598.3 Ų98.321%0.20852%0.515CS..EExtended strand (participates in β ladder)trans-102.6132.2173-70.880.2000112.3L374 P375 V391 D392 Q399 P403L374-W378 HydrophobicContact CB-CB 4.07Å; L374-W378 WeakPolarHBondContact CB-O 3.49Å; L374-W378 HydrophobicContact CD1-CB 4.37Å; P375-W378 WeakPolarHBondContact O-CB 3.44Å; P375-W378 PolarHBondContact O-N 2.93Å; W378-V391 CarbonylContact C-O 3.58Å; W378-V391 VanDerWaalsContact CA-O 3.27Å; W378-V391 WeakPolarHBondContact CA-O 3.12Å; W378-D392 HydrophobicContact CD2-CB 3.72Å; W378-D392 VanDerWaalsContact CE2-OD2 3.29Å; W378-D392 HydrophobicContact CE3-CB 3.78Å; W378-D392 HydrophobicContact CG-CB 4.48Å; W378-D392 HydrophobicContact CH2-CB 3.72Å; W378-D392 HydrophobicContact CZ2-CB 3.61Å; W378-D392 WeakPolarHBondContact CZ2-OD2 3.43Å; W378-D392 HydrophobicContact CZ3-CB 3.77Å; W378-D392 PolarHBondContact NE1-OD2 2.92Å; W378-Q399 HydrophobicContact CH2-CG 4.28Å; W378-Q399 HydrophobicContact CZ3-CG 3.91Å; W378-P403 HydrophobicContact CD2-CB 4.12Å; W378-P403 HydrophobicContact CD2-CG 3.5Å; W378-P403 HydrophobicContact CE3-CB 4.25Å; W378-P403 HydrophobicContact CE3-CG 3.23Å; W378-P403 HydrophobicContact CG-CG 4.14Å; W378-P403 HydrophobicContact CH2-CB 4.46Å; W378-P403 HydrophobicContact CH2-CG 4Å; W378-P403 HydrophobicContact CZ2-CB 4.37Å; W378-P403 HydrophobicContact CZ2-CG 4.25Å; W378-P403 HydrophobicContact CZ3-CB 4.42Å; W378-P403 HydrophobicContact CZ3-CG 3.51Å
379E74.9Confident56.1Low88 Ų8891.4 Ų91.441%0.41148%0.48SS..EExtended strand (participates in β ladder)trans-118.3144.8179.1-179.4178.2-144.600111I381 Y390 V391 H393E379-I381 HydrophobicContact CG-CD1 3.87Å; E379-I381 HydrophobicContact CG-CG1 4.38Å; E379-Y390 CarbonylContact O-C 3.52Å; E379-Y390 VanDerWaalsContact O-CA 3.25Å; E379-Y390 WeakPolarHBondContact O-CA 3.36Å; E379-V391 HydrophobicContact CB-CB 4.42Å; E379-V391 PolarHBondContact N-O 3.15Å; E379-V391 PolarHBondContact O-N 3.47Å; E379-H393 IonicContact OE2-CD2 3.42Å; E379-H393 IonicContact OE2-CE1 2.66Å; E379-H393 PolarHBondContact OE2-CE1 3.14Å; E379-H393 IonicContact OE2-NE2 3.2Å; E379-H393 PolarHBondContact OE2-NE2 3.36Å
380K79.6Confident58Low68 Ų6885.3 Ų85.330%0.29645%0.447SS..EExtended strand (participates in β ladder)trans-94.6117.9170.7-177.2-175.4-178.7-173.80107.7D370 L374 V388 Y390D370-K380 PolarHBondContact O-NZ 2.76Å; D370-K380 IonicContact OD1-NZ 3.67Å; D370-K380 PolarHBondContact OD1-NZ 3.26Å; L374-K380 HydrophobicContact CD1-CB 3.98Å; K380-V388 HydrophobicContact CG-CG1 3.96Å; K380-Y390 HydrophobicContact CB-CD1 4.25Å; K380-Y390 HydrophobicContact CB-CE1 4.03Å; K380-Y390 HydrophobicContact CD-CE1 4.47Å; K380-Y390 HydrophobicContact CG-CE1 3.91Å
381I76.4Confident59.5Low48 Ų4880.3 Ų80.325%0.24642%0.421CS..EExtended strand (participates in β ladder)trans-107.9133.8172.6-59.2-63.1000108.2E379 V388 Y389 V391E379-I381 HydrophobicContact CG-CD1 3.87Å; E379-I381 HydrophobicContact CG-CG1 4.38Å; I381-V388 CarbonylContact O-C 3.59Å; I381-V388 WeakPolarHBondContact O-CA 3.45Å; I381-Y389 HydrophobicContact CB-CD2 4.05Å; I381-Y389 HydrophobicContact CB-CE1 4.35Å; I381-Y389 HydrophobicContact CB-CE2 3.69Å; I381-Y389 HydrophobicContact CG1-CE2 3.97Å; I381-Y389 HydrophobicContact CG2-CE1 3.94Å; I381-Y389 HydrophobicContact CG2-CE2 3.93Å; I381-Y389 PolarHBondContact N-O 3.34Å; I381-Y389 PolarHBondContact O-N 3.49Å; I381-Y389 VanDerWaalsContact O-O 3.12Å; I381-V391 HydrophobicContact CG1-CG2 3.66Å
382D55Low60.8Low116 Ų11673.4 Ų73.462%0.6238%0.384SS*.EExtended strand (participates in β ladder)trans-113.8106.1175.5-147.5-25.5000109.2V388D382-V388 WeakPolarHBondContact OD1-CG2 3.24Å
383D66Low60.9Low40 Ų4073.3 Ų73.321%0.21438%0.381CS..EExtended strand (participates in β ladder)trans-104.8126.8-172.3-178-69.6000111.4V385 Y386 G387 Y389D383-V385 PolarHBondContact O-N 2.93Å; D383-V385 WeakPolarHBondContact OD1-CA 3.1Å; D383-V385 WeakPolarHBondContact OD1-CB 3.31Å; D383-V385 PolarHBondContact OD1-N 3.19Å; D383-Y386 PolarHBondContact O-N 2.73Å; D383-Y386 WeakPolarHBondContact OD1-CD2 3.43Å; D383-Y386 PolarHBondContact OD1-N 2.84Å; D383-G387 PolarHBondContact N-O 3.43Å; D383-G387 VanDerWaalsContact O-CA 3.28Å; D383-G387 WeakPolarHBondContact O-CA 3.42Å; D383-G387 PolarHBondContact O-N 2.88Å; D383-Y389 HydrophobicContact CB-CD1 4.4Å; D383-Y389 HydrophobicContact CB-CE1 3.77Å
384P48.1Very low60.9Low137 Ų13769 Ų6989%0.8936%0.363SS*.THydrogen-bonded Turntrans-63.4-11.7-177.7-25.235000116.6
385V40.5Very low60.2Low115 Ų11573 Ų7370%0.69739%0.385SS*.THydrogen-bonded Turntrans-111.2-35.4-178.2-177.60000111.5D383D383-V385 PolarHBondContact O-N 2.93Å; D383-V385 WeakPolarHBondContact OD1-CA 3.1Å; D383-V385 WeakPolarHBondContact OD1-CB 3.31Å; D383-V385 PolarHBondContact OD1-N 3.19Å
386Y41Very low60.1Low155 Ų15581.6 Ų81.661%0.60841%0.41SS*.THydrogen-bonded Turntrans-109.3-12.5-174.9-58.7-70.2000114.6D383D383-Y386 PolarHBondContact O-N 2.73Å; D383-Y386 WeakPolarHBondContact OD1-CD2 3.43Å; D383-Y386 PolarHBondContact OD1-N 2.84Å
387G50Low60.6Low29 Ų2980.1 Ų80.130%0.29940%0.402SS..EExtended strand (participates in β ladder)trans78.3-171.6-176.600000113.8D383 Y389D383-G387 PolarHBondContact N-O 3.43Å; D383-G387 VanDerWaalsContact O-CA 3.28Å; D383-G387 WeakPolarHBondContact O-CA 3.42Å; D383-G387 PolarHBondContact O-N 2.88Å; G387-Y389 WeakPolarHBondContact O-CD1 3.27Å; G387-Y389 PolarHBondContact O-N 3.02Å
388V65.8Low61.2Low53 Ų5383.3 Ų83.332%0.32142%0.417SS..EExtended strand (participates in β ladder)trans-62127.3179.1-174.30000111.3K380 I381 D382 Y390K380-V388 HydrophobicContact CG-CG1 3.96Å; I381-V388 CarbonylContact O-C 3.59Å; I381-V388 WeakPolarHBondContact O-CA 3.45Å; D382-V388 WeakPolarHBondContact OD1-CG2 3.24Å; V388-Y390 HydrophobicContact CG1-CE2 3.92Å
389Y71Confident61Low53 Ų5382.1 Ų82.121%0.20841%0.414CS..EExtended strand (participates in β ladder)trans-140.1169.2167.564.6-99.4000112.3I381 D383 G387 V391 Y400I381-Y389 HydrophobicContact CB-CD2 4.05Å; I381-Y389 HydrophobicContact CB-CE1 4.35Å; I381-Y389 HydrophobicContact CB-CE2 3.69Å; I381-Y389 HydrophobicContact CG1-CE2 3.97Å; I381-Y389 HydrophobicContact CG2-CE1 3.94Å; I381-Y389 HydrophobicContact CG2-CE2 3.93Å; I381-Y389 PolarHBondContact N-O 3.34Å; I381-Y389 PolarHBondContact O-N 3.49Å; I381-Y389 VanDerWaalsContact O-O 3.12Å; D383-Y389 HydrophobicContact CB-CD1 4.4Å; D383-Y389 HydrophobicContact CB-CE1 3.77Å; G387-Y389 WeakPolarHBondContact O-CD1 3.27Å; G387-Y389 PolarHBondContact O-N 3.02Å; Y389-V391 HydrophobicContact CD2-CG2 3.88Å; Y389-V391 HydrophobicContact CE2-CG2 3.68Å; Y389-Y400 HydrophobicContact CD1-CE1 4.17Å; Y389-Y400 HydrophobicContact CG-CE1 4.41Å
390Y78.9Confident60.9Low23 Ų2384.3 Ų84.39%0.0942%0.419CS..EExtended strand (participates in β ladder)trans-124134.1-171.3-59.8-92.1000110.9L374 E379 K380 V388 T398 Q399 Y400 N402L374-Y390 HydrophobicContact CD1-CD1 3.82Å; L374-Y390 HydrophobicContact CD1-CE1 4.17Å; L374-Y390 HydrophobicContact CD2-CD1 4.03Å; L374-Y390 HydrophobicContact CD2-CE1 4.08Å; E379-Y390 CarbonylContact O-C 3.52Å; E379-Y390 VanDerWaalsContact O-CA 3.25Å; E379-Y390 WeakPolarHBondContact O-CA 3.36Å; K380-Y390 HydrophobicContact CB-CD1 4.25Å; K380-Y390 HydrophobicContact CB-CE1 4.03Å; K380-Y390 HydrophobicContact CD-CE1 4.47Å; K380-Y390 HydrophobicContact CG-CE1 3.91Å; V388-Y390 HydrophobicContact CG1-CE2 3.92Å; Y390-T398 CarbonylContact O-C 3.56Å; Y390-T398 WeakPolarHBondContact O-CA 3.46Å; Y390-Q399 PolarHBondContact N-O 3.41Å; Y390-Q399 PolarHBondContact O-N 2.97Å; Y390-Y400 WeakPolarHBondContact CD2-O 3.25Å; Y390-N402 HydrophobicContact CD2-CB 4.4Å; Y390-N402 HydrophobicContact CE1-CB 4.14Å; Y390-N402 VanDerWaalsContact CE1-ND2 3.34Å; Y390-N402 WeakPolarHBondContact CE1-ND2 3.48Å; Y390-N402 HydrophobicContact CE2-CB 3.78Å; Y390-N402 PolarHBondContact OH-ND2 3.3Å; Y390-N402 VanDerWaalsContact OH-ND2 3.16Å
391V68.3Low60Low20 Ų2086.5 Ų86.512%0.12143%0.43CS..EExtended strand (participates in β ladder)trans-118.9112.3-171.9-173.60000110.4W378 E379 I381 Y389 H393 T398W378-V391 CarbonylContact C-O 3.58Å; W378-V391 VanDerWaalsContact CA-O 3.27Å; W378-V391 WeakPolarHBondContact CA-O 3.12Å; E379-V391 HydrophobicContact CB-CB 4.42Å; E379-V391 PolarHBondContact N-O 3.15Å; E379-V391 PolarHBondContact O-N 3.47Å; I381-V391 HydrophobicContact CG1-CG2 3.66Å; Y389-V391 HydrophobicContact CD2-CG2 3.88Å; Y389-V391 HydrophobicContact CE2-CG2 3.68Å; V391-H393 PolarHBondContact O-N 3.35Å; V391-T398 HydrophobicContact CB-CG2 4.37Å; V391-T398 HydrophobicContact CG1-CG2 4.08Å; V391-T398 HydrophobicContact CG2-CG2 3.96Å
392D70.1Confident60Low6 Ų685.3 Ų85.33%0.03242%0.424CS..EExtended strand (participates in β ladder)trans-83.4104.5168.3-170.5-29.6000109.4W378 I394 N395 R396 K397W378-D392 HydrophobicContact CD2-CB 3.72Å; W378-D392 VanDerWaalsContact CE2-OD2 3.29Å; W378-D392 HydrophobicContact CE3-CB 3.78Å; W378-D392 HydrophobicContact CG-CB 4.48Å; W378-D392 HydrophobicContact CH2-CB 3.72Å; W378-D392 HydrophobicContact CZ2-CB 3.61Å; W378-D392 WeakPolarHBondContact CZ2-OD2 3.43Å; W378-D392 HydrophobicContact CZ3-CB 3.77Å; W378-D392 PolarHBondContact NE1-OD2 2.92Å; D392-I394 WeakPolarHBondContact OD1-CA 3.43Å; D392-I394 WeakPolarHBondContact OD1-CB 3.22Å; D392-I394 PolarHBondContact OD1-N 3Å; D392-N395 PolarHBondContact OD1-N 3.46Å; D392-N395 PolarHBondContact OD1-ND2 2.89Å; D392-N395 WeakPolarHBondContact OD2-CB 3.47Å; D392-N395 PolarHBondContact OD2-ND2 3.29Å; D392-R396 CarbonylContact O-C 3.51Å; D392-R396 WeakPolarHBondContact O-CA 3.46Å; D392-R396 PolarHBondContact O-N 3.36Å; D392-K397 HydrophobicContact CB-CB 4.3Å; D392-K397 WeakPolarHBondContact CB-O 3.36Å; D392-K397 PolarHBondContact N-O 3.07Å; D392-K397 PolarHBondContact O-N 2.93Å
393H50.8Low60.6Low95 Ų9580.5 Ų80.544%0.4440%0.399SS..THydrogen-bonded Turntrans-77.3-21.3178.3-69.3-72.4000113.4G377 E379 V391G377-H393 PolarHBondContact O-N 3.37Å; E379-H393 IonicContact OE2-CD2 3.42Å; E379-H393 IonicContact OE2-CE1 2.66Å; E379-H393 PolarHBondContact OE2-CE1 3.14Å; E379-H393 IonicContact OE2-NE2 3.2Å; E379-H393 PolarHBondContact OE2-NE2 3.36Å; V391-H393 PolarHBondContact O-N 3.35Å
394I52.1Low60.5Low100 Ų10081.5 Ų81.551%0.51340%0.404SS..THydrogen-bonded Turntrans-76.1-50.5178.5-64.9174.7000109.6H376 D392H376-I394 VanDerWaalsContact O-CD1 3.27Å; H376-I394 WeakPolarHBondContact O-CD1 3.43Å; D392-I394 WeakPolarHBondContact OD1-CA 3.43Å; D392-I394 WeakPolarHBondContact OD1-CB 3.22Å; D392-I394 PolarHBondContact OD1-N 3Å
395N52.4Low61.4Low120 Ų12079.6 Ų79.664%0.64239%0.386SS*.THydrogen-bonded Turntrans-92.3-1.2179.2-59.1-70.3000113.4D392D392-N395 PolarHBondContact OD1-N 3.46Å; D392-N395 PolarHBondContact OD1-ND2 2.89Å; D392-N395 WeakPolarHBondContact OD2-CB 3.47Å; D392-N395 PolarHBondContact OD2-ND2 3.29Å
396R53.6Low62.7Low231 Ų23176.2 Ų76.287%0.87236%0.363SS*.THydrogen-bonded Turntrans54.350.4-180-59.4-176177.4-130.9-3.4113.1D392D392-R396 CarbonylContact O-C 3.51Å; D392-R396 WeakPolarHBondContact O-CA 3.46Å; D392-R396 PolarHBondContact O-N 3.36Å
397K54.1Low63.6Low106 Ų10671.6 Ų71.646%0.46136%0.357SS..EExtended strand (participates in β ladder)trans-130.5129.8-173.3-171.6-151.3172.2-161.30111.4D392D392-K397 HydrophobicContact CB-CB 4.3Å; D392-K397 WeakPolarHBondContact CB-O 3.36Å; D392-K397 PolarHBondContact N-O 3.07Å; D392-K397 PolarHBondContact O-N 2.93Å
398T67.1Low64Low92 Ų9278 Ų7856%0.56438%0.376SS*.EExtended strand (participates in β ladder)trans-100.4149.6169.856.90000111.7Y390 V391Y390-T398 CarbonylContact O-C 3.56Å; Y390-T398 WeakPolarHBondContact O-CA 3.46Å; V391-T398 HydrophobicContact CB-CG2 4.37Å; V391-T398 HydrophobicContact CG1-CG2 4.08Å; V391-T398 HydrophobicContact CG2-CG2 3.96Å
399Q64.9Low64.1Low30 Ų3082.5 Ų82.514%0.1439%0.387CS..EExtended strand (participates in β ladder)trans-156.9157.1173.467.8-172.837.800110.7W378 Y390 E401W378-Q399 HydrophobicContact CH2-CG 4.28Å; W378-Q399 HydrophobicContact CZ3-CG 3.91Å; Y390-Q399 PolarHBondContact N-O 3.41Å; Y390-Q399 PolarHBondContact O-N 2.97Å; Q399-E401 WeakPolarHBondContact CG-O 3.47Å; Q399-E401 PolarHBondContact NE2-O 3.36Å
400Y72.8Confident63.3Low134 Ų13487.5 Ų87.553%0.52541%0.406SS..SBendtrans-88.5-25.5-179.9-68.4-89.9000112.7Y389 Y390Y389-Y400 HydrophobicContact CD1-CE1 4.17Å; Y389-Y400 HydrophobicContact CG-CE1 4.41Å; Y390-Y400 WeakPolarHBondContact CD2-O 3.25Å
401E62.2Low62.1Low114 Ų11493.1 Ų93.153%0.53343%0.427SS..SBendtrans-76130.4176.9-62.481178.800112.6Q399Q399-E401 WeakPolarHBondContact CG-O 3.47Å; Q399-E401 PolarHBondContact NE2-O 3.36Å
402N74.5Confident61.4Low22 Ų2299.6 Ų99.612%0.11846%0.456CS..  trans-57.9125.5175-177.4-61.5000110.9Y390 L404 L405 E406Y390-N402 HydrophobicContact CD2-CB 4.4Å; Y390-N402 HydrophobicContact CE1-CB 4.14Å; Y390-N402 VanDerWaalsContact CE1-ND2 3.34Å; Y390-N402 WeakPolarHBondContact CE1-ND2 3.48Å; Y390-N402 HydrophobicContact CE2-CB 3.78Å; Y390-N402 PolarHBondContact OH-ND2 3.3Å; Y390-N402 VanDerWaalsContact OH-ND2 3.16Å; N402-L404 VanDerWaalsContact C-N 3.32Å; N402-L404 PolarHBondContact O-N 3.05Å; N402-L404 WeakPolarHBondContact OD1-CB 3.2Å; N402-L404 PolarHBondContact OD1-N 3.05Å; N402-L405 HydrophobicContact CB-CB 4.26Å; N402-L405 HydrophobicContact CB-CD1 4.04Å; N402-L405 HydrophobicContact CB-CG 4.07Å; N402-L405 PolarHBondContact O-N 3.12Å; N402-L405 PolarHBondContact OD1-N 3.46Å; N402-E406 PolarHBondContact O-N 3.23Å; N402-E406 VanDerWaalsContact O-N 3.1Å
403P68Low60.5Low15 Ų15106 Ų10610%0.09749%0.49CS..Hα-helixtrans-58.1-38.3-174.8-25.633.6000114.4W378 A407W378-P403 HydrophobicContact CD2-CB 4.12Å; W378-P403 HydrophobicContact CD2-CG 3.5Å; W378-P403 HydrophobicContact CE3-CB 4.25Å; W378-P403 HydrophobicContact CE3-CG 3.23Å; W378-P403 HydrophobicContact CG-CG 4.14Å; W378-P403 HydrophobicContact CH2-CB 4.46Å; W378-P403 HydrophobicContact CH2-CG 4Å; W378-P403 HydrophobicContact CZ2-CB 4.37Å; W378-P403 HydrophobicContact CZ2-CG 4.25Å; W378-P403 HydrophobicContact CZ3-CB 4.42Å; W378-P403 HydrophobicContact CZ3-CG 3.51Å; P403-A407 WeakPolarHBondContact O-CB 3.37Å; P403-A407 PolarHBondContact O-N 3.44Å
404L65.4Low60.3Low61 Ų61109.1 Ų109.132%0.31950%0.504SS..Hα-helixtrans-69.3-41.3-178.8-64.1170.1000111.2L372 E373 L374 P375 N402 A407 K408L372-L404 HydrophobicContact CB-CD1 4.33Å; E373-L404 WeakPolarHBondContact O-CD1 3.46Å; L374-L404 HydrophobicContact CD2-CD1 4.36Å; P375-L404 HydrophobicContact CG-CD2 3.68Å; P375-L404 HydrophobicContact CG-CG 4.26Å; N402-L404 VanDerWaalsContact C-N 3.32Å; N402-L404 PolarHBondContact O-N 3.05Å; N402-L404 WeakPolarHBondContact OD1-CB 3.2Å; N402-L404 PolarHBondContact OD1-N 3.05Å; L404-A407 PolarHBondContact O-N 2.94Å; L404-K408 VanDerWaalsContact O-CB 3.31Å; L404-K408 WeakPolarHBondContact O-CB 3.41Å; L404-K408 PolarHBondContact O-N 2.54Å
405L65.1Low59.7Low98 Ų98111.4 Ų111.451%0.51351%0.513SS..Hα-helixtrans-68.5-38.2178.8-62-176.7000111.7N402 K408 R409N402-L405 HydrophobicContact CB-CB 4.26Å; N402-L405 HydrophobicContact CB-CD1 4.04Å; N402-L405 HydrophobicContact CB-CG 4.07Å; N402-L405 PolarHBondContact O-N 3.12Å; N402-L405 PolarHBondContact OD1-N 3.46Å; L405-K408 PolarHBondContact O-N 2.71Å; L405-R409 WeakPolarHBondContact O-CB 3.25Å; L405-R409 PolarHBondContact O-N 3.38Å
406E68.1Low58.9Low44 Ų44113.4 Ų113.421%0.20652%0.518CS..Hα-helixtrans-70.2-38.4174.617858.5-170.400112.2N402 R409 R410N402-E406 PolarHBondContact O-N 3.23Å; N402-E406 VanDerWaalsContact O-N 3.1Å; E406-R409 PolarHBondContact O-N 2.97Å; E406-R409 WeakPolarHBondContact OE2-CD 3.35Å; E406-R409 IonicContact OE2-CZ 3.61Å; E406-R409 IonicContact OE2-NE 3.58Å; E406-R409 PolarHBondContact OE2-NE 3.17Å; E406-R410 WeakPolarHBondContact O-CG 3.47Å; E406-R410 PolarHBondContact O-N 3.15Å; E406-R410 IonicContact OE1-CZ 2.75Å; E406-R410 VanDerWaalsContact OE1-CZ 3.29Å; E406-R410 IonicContact OE1-NE 3.19Å; E406-R410 PolarHBondContact OE1-NE 3.12Å; E406-R410 IonicContact OE1-NH2 2.82Å; E406-R410 PolarHBondContact OE1-NH2 2.87Å
407A60.2Low58Low58 Ų58108.4 Ų108.448%0.47952%0.516SS..Hα-helixtrans-62.2-44.3171.700000112P403 L404 R410 R411P403-A407 WeakPolarHBondContact O-CB 3.37Å; P403-A407 PolarHBondContact O-N 3.44Å; L404-A407 PolarHBondContact O-N 2.94Å; A407-R410 PolarHBondContact O-N 2.92Å; A407-R411 PolarHBondContact O-N 3.01Å
408K59.6Low57Low163 Ų163108.1 Ų108.171%0.70953%0.533SS*.Hα-helixtrans-63.9-40.3176.7-164165.8-1741690111.5L404 L405 Q412L404-K408 VanDerWaalsContact O-CB 3.31Å; L404-K408 WeakPolarHBondContact O-CB 3.41Å; L404-K408 PolarHBondContact O-N 2.54Å; L405-K408 PolarHBondContact O-N 2.71Å; K408-Q412 PolarHBondContact O-N 3.11Å
409R66.6Low55Low147 Ų147113.2 Ų113.256%0.55555%0.551SS**Hα-helixtrans-59.9-45172.6-168.1-159.4-49.1-74.20.6112L405 E406 Q412 L413L405-R409 WeakPolarHBondContact O-CB 3.25Å; L405-R409 PolarHBondContact O-N 3.38Å; E406-R409 PolarHBondContact O-N 2.97Å; E406-R409 WeakPolarHBondContact OE2-CD 3.35Å; E406-R409 IonicContact OE2-CZ 3.61Å; E406-R409 IonicContact OE2-NE 3.58Å; E406-R409 PolarHBondContact OE2-NE 3.17Å; R409-Q412 PolarHBondContact O-N 3.04Å; R409-L413 PolarHBondContact O-N 3.31Å
410R54.3Low53.2Low159 Ų159119.3 Ų119.360%0.658%0.579SS**Hα-helixtrans-64.5-46.2178.9-74.1175.5-174.1-142.9-4.2112.3E406 A407 Q412 L413 E414E406-R410 WeakPolarHBondContact O-CG 3.47Å; E406-R410 PolarHBondContact O-N 3.15Å; E406-R410 IonicContact OE1-CZ 2.75Å; E406-R410 VanDerWaalsContact OE1-CZ 3.29Å; E406-R410 IonicContact OE1-NE 3.19Å; E406-R410 PolarHBondContact OE1-NE 3.12Å; E406-R410 IonicContact OE1-NH2 2.82Å; E406-R410 PolarHBondContact OE1-NH2 2.87Å; A407-R410 PolarHBondContact O-N 2.92Å; R410-Q412 PolarHBondContact O-N 2.96Å; R410-L413 WeakPolarHBondContact O-CA 3.45Å; R410-L413 WeakPolarHBondContact O-CB 3.46Å; R410-L413 PolarHBondContact O-N 3.44Å; R410-E414 WeakPolarHBondContact O-CB 3.4Å; R410-E414 PolarHBondContact O-N 3.25Å
411R54.4Low50.8Low140 Ų140122.8 Ų122.853%0.52859%0.592SS.*Hα-helixtrans-59.4-35.7177-135.2-172.5-163-164.212.6112.1L355 A407 L413 E414 Q415L355-R411 PolarHBondContact O-NH2 2.89Å; A407-R411 PolarHBondContact O-N 3.01Å; R411-L413 VanDerWaalsContact C-N 3.31Å; R411-L413 PolarHBondContact O-N 2.79Å; R411-E414 PolarHBondContact O-N 2.77Å; R411-Q415 WeakPolarHBondContact O-CG 3.3Å; R411-Q415 PolarHBondContact O-N 3.24Å
412Q53.1Low49.1Very low157 Ų157123.4 Ų123.473%0.73460%0.597SS**Hα-helixtrans-70.5-23.9175.2-171.1170.674.900113.6K408 R409 R410K408-Q412 PolarHBondContact O-N 3.11Å; R409-Q412 PolarHBondContact O-N 3.04Å; R410-Q412 PolarHBondContact O-N 2.96Å
413L52Low46.8Very low141 Ų141130.4 Ų130.474%0.73863%0.629SS**Hα-helixtrans-81.8-32.1172.2-149.976000112.1R409 R410 R411R409-L413 PolarHBondContact O-N 3.31Å; R410-L413 WeakPolarHBondContact O-CA 3.45Å; R410-L413 WeakPolarHBondContact O-CB 3.46Å; R410-L413 PolarHBondContact O-N 3.44Å; R411-L413 VanDerWaalsContact C-N 3.31Å; R411-L413 PolarHBondContact O-N 2.79Å
414E45.2Very low44.8Very low159 Ų159136.6 Ų136.674%0.74366%0.661SS**Hα-helixtrans-83.5-11.3-174.5-159.1161.4-141.500113.6R410 R411 Q416R410-E414 WeakPolarHBondContact O-CB 3.4Å; R410-E414 PolarHBondContact O-N 3.25Å; R411-E414 PolarHBondContact O-N 2.77Å; E414-Q416 VanDerWaalsContact C-N 3.33Å; E414-Q416 PolarHBondContact O-N 2.86Å
415Q40.7Very low43Very low148 Ų148138.2 Ų138.269%0.69268%0.678SS**THydrogen-bonded Turntrans-83.28.9176.5-80.1-176.8-8.600115.3R411 P417R411-Q415 WeakPolarHBondContact O-CG 3.3Å; R411-Q415 PolarHBondContact O-N 3.24Å; Q415-P417 WeakPolarHBondContact O-CD 3.23Å
416Q34.2Very low41.1Very low163 Ų163137.6 Ų137.676%0.76269%0.687SS**SBendtrans-91110.1168.3-69-167.225.900110.8E414E414-Q416 VanDerWaalsContact C-N 3.33Å; E414-Q416 PolarHBondContact O-N 2.86Å
417P34.8Very low39.2Very low125 Ų125143.4 Ų143.481%0.81272%0.718SS**  trans-72.6134.2-17729.3-34.8000111.9Q415Q415-P417 WeakPolarHBondContact O-CD 3.23Å
418A33.8Very low37.5Very low101 Ų101145.6 Ų145.684%0.83574%0.736SS**  trans-76.1134.1174.600000111.8
419Q26Very low35.8Very low199 Ų199141.8 Ų141.893%0.9374%0.743SS**  trans-131.8152.1163.3-89.5179.6-13.400111.2
420Q26.6Very low33.7Very low157 Ų157139.4 Ų139.473%0.73476%0.755SS**  trans-99.1153.9-163.4-91.4-177.7-33.700113.7
421W22.2Very low33.4Very low208 Ų208137 Ų13779%0.78876%0.76SS**  trans79133.5141.7-74.38.6000121
422I27.4Very low31.9Very low126 Ų126137.7 Ų137.765%0.64677%0.773SS**  trans88.1127.7133.8-74.6169.4000120.3
423E25.8Very low30.7Very low170 Ų170134.4 Ų134.479%0.79477%0.773SS**  trans62.3114.3150.1-75.9165-177.900124.7
424D25.6Very low29.3Very low145 Ų145132.4 Ų132.478%0.77577%0.767SS**  80.3147118.1-129.3-26.3000124.3
425S27.3Very low28.4Very low95 Ų95134.7 Ų134.766%0.66477%0.77SS**  trans46.5107.1147.7-75.10000124.2
426A25.3Very low27.6Very low84 Ų84131.9 Ų131.969%0.69477%0.772SS**  70.6117111.700000123.1
427L27.8Very low27.3Very low167 Ų167128 Ų12887%0.87477%0.767SS**  trans64.2127.9139.6-91.395.2000123.4
428A25.7Very low26.9Very low103 Ų103128.7 Ų128.785%0.85176%0.764SS**  trans83.2130.4136.700000120.8
429G22.8Very low26.7Very low83 Ų83130.8 Ų130.886%0.85676%0.757SS**  trans138.2122.8163.500000115.1
430A23.7Very low26.6Very low97 Ų97127.8 Ų127.880%0.80274%0.742SS**  trans-134-173.5166.100000107.2
431P46.3Very low26.6Very low109 Ų109125.5 Ų125.571%0.70874%0.739SS**  cis-141.2-147.62.334.7-8.4000113.7
432L23.5Very low26.8Very low155 Ų155125.1 Ų125.181%0.81274%0.739SS**  trans78.8125.2177-81.963.9000115.6
433A28Very low26.7Very low87 Ų87130.3 Ų130.372%0.71975%0.751SS**  cis87150.948.300000112.7
434T23.2Very low26.6Very low99 Ų99129 Ų12961%0.60775%0.749SS**  cis-147152.914.5-29.70000108
435Y25.9Very low27.4Very low208 Ų208126.5 Ų126.582%0.81674%0.741SS**  177.2155.488.5-71.5-68.6000107.6
436A24.3Very low27.3Very low89 Ų89129.6 Ų129.674%0.73675%0.745SS**  cis92.2131.523.900000114.6
437A27.6Very low27.4Very low80 Ų80131.9 Ų131.966%0.66175%0.75SS**  cis-169.3-168.1-700000111.2
438N25.9Very low27.5Very low140 Ų140127 Ų12775%0.74974%0.741SS**  trans101.3135.3154.6-57.6-10.8000117.6
439H29.1Very low27.7Very low146 Ų146128.3 Ų128.368%0.67674%0.74SS**  cis-156163.4-6.9-131.9-65.8000113.3
440E24.4Very low27.9Very low135 Ų135130.1 Ų130.163%0.63174%0.737SS**  trans76.5138165.9-68.4-46.9-86.100118.9
441T27.1Very low28.3Very low109 Ų109132 Ų13267%0.66974%0.738SS**  cis-152.4-174.5-8.1-159.60000113.8
442Y26.3Very low27.6Very low201 Ų201132.3 Ų132.379%0.78874%0.74SS**  trans-72.6160.1-177.5-71.5-99.1000114.2
443R25.3Very low27.7Very low235 Ų235132.3 Ų132.389%0.88774%0.741SS**  cis-153.3141.215.3-153.7-177-158.2160.55.8113
444D23.9Very low27.9Very low141 Ų141132.5 Ų132.575%0.75474%0.743SS**  trans-78.6-178.5168.2-145.228.8000111.2
445P41.8Very low28.2Very low93 Ų93136.9 Ų136.960%0.60476%0.759SS**  cis-139.3165.2-0.141.7-23.5000118.2
446Q26.1Very low28.4Very low161 Ų161130.4 Ų130.475%0.75276%0.755SS**  161.2141.1116.9-79.8-123.6-1.400116.1
447T26.8Very low28.8Very low132 Ų132135.8 Ų135.881%0.8177%0.765SS**  trans62.8122.6157540000121.4
448G30.1Very low29.1Very low65 Ų65142 Ų14267%0.6778%0.777SS**  trans113.4120.615700000115.2
449P28.8Very low29.5Very low130 Ų130147.4 Ų147.484%0.84479%0.787SS**PPolyproline II helixtrans-82.3127.5174.631.7-31.9000111.9
450P28.5Very low29.7Very low120 Ų120143.8 Ų143.878%0.77979%0.789SS**PPolyproline II helixtrans-85.7160.517234.7-34.3000112.6
451V31.6Very low30.7Very low136 Ų136145.4 Ų145.482%0.82479%0.794SS**PPolyproline II helixtrans-98.4156.3173.7-155.60000109.9
452P31.6Very low32Very low116 Ų116145.4 Ų145.475%0.75380%0.795SS**  trans-131.1123.8141.333.8-21.7000114.8
453N25.8Very low33.8Very low156 Ų156142.9 Ų142.983%0.83479%0.789SS**  trans27.5142.1142.7-76.5-3.5000124.2
454A31.9Very low36.5Very low91 Ų91133.2 Ų133.275%0.75275%0.753SS**  trans65.2146.2142.700000118
455M29.4Very low39.3Very low191 Ų191127 Ų12794%0.94172%0.72SS**  cis-144.3166.6-5.9-107.1159.7178.900105.7
456G29.9Very low41.4Very low71 Ų71128.5 Ų128.573%0.73271%0.714SS**  cis124.347.917.200000112.3
457Q32.7Very low44Very low203 Ų203124.1 Ų124.195%0.94970%0.696SS**PPolyproline II helixtrans-91.2136.3179.9-79.6-171.6-33.100113.4
458K35Very low46.7Very low209 Ų209122.8 Ų122.891%0.90968%0.676SS**PPolyproline II helixtrans-91.1155.2173.1-68178.7178.1176.80111.1
459R33.2Very low49.2Very low255 Ų255125 Ų12596%0.96268%0.681SS**PPolyproline II helixtrans-87.4125.3174.4-169.4177.5-177.3-175.9-0.1109.8
460G33.9Very low51.9Low70 Ų70122.6 Ų122.672%0.72266%0.659SS**  trans-92.8178.9-170.700000116.6
461K45.5Very low54.6Low169 Ų169117.5 Ų117.574%0.73563%0.625SS**  trans-53156.4166.9-78-171.4174.1-170.60110.5E496K461-E496 IonicContact NZ-OE2 3.53Å; K461-E496 PolarHBondContact NZ-OE2 3.02Å
462P53.4Low56.8Low108 Ų108118.3 Ų118.370%0.70163%0.625SS**  trans-56.6139.8165.626.4-34.5000110.2F464P462-F464 PolarHBondContact O-N 2.95Å; P462-F464 VanDerWaalsContact O-N 3.1Å
463F64.9Low59.3Low149 Ų149113.8 Ų113.865%0.65460%0.598SS**  trans-71.1105.9-178.2-175.8-94.8000110.1
464F82.3Confident62.4Low32 Ų32111 Ų11114%0.1459%0.587CS.*  trans-80.5145.9171.1173.7-97.7000110.6P462 R466 D498 E499 F500P462-F464 PolarHBondContact O-N 2.95Å; P462-F464 VanDerWaalsContact O-N 3.1Å; F464-R466 HydrophobicContact CE1-CG 3.6Å; F464-R466 HydrophobicContact CZ-CG 3.84Å; F464-D498 VanDerWaalsContact CB-O 3.28Å; F464-D498 WeakPolarHBondContact CB-O 3.2Å; F464-D498 VanDerWaalsContact CD1-CA 3.47Å; F464-D498 HydrophobicContact CD1-CB 3.86Å; F464-D498 WeakPolarHBondContact CD1-OD1 3.45Å; F464-D498 HydrophobicContact CE1-CB 4.22Å; F464-D498 VanDerWaalsContact CG-C 3.42Å; F464-D498 HydrophobicContact CG-CB 4.45Å; F464-D498 WeakPolarHBondContact CG-O 3.47Å; F464-E499 WeakPolarHBondContact CE2-O 3.14Å; F464-F500 HydrophobicContact CB-CE2 4.49Å; F464-F500 AromaticContact CD2-CD1 3.6Å; F464-F500 HydrophobicContact CD2-CD1 3.6Å; F464-F500 HydrophobicContact CD2-CD2 4.11Å; F464-F500 AromaticContact CD2-CE1 3.55Å; F464-F500 HydrophobicContact CD2-CE1 3.55Å; F464-F500 HydrophobicContact CD2-CE2 4.08Å; F464-F500 AromaticContact CD2-CG 3.89Å; F464-F500 HydrophobicContact CD2-CG 3.89Å; F464-F500 AromaticContact CD2-CZ 3.81Å; F464-F500 HydrophobicContact CD2-CZ 3.81Å; F464-F500 AromaticContact CE2-CD1 3.61Å; F464-F500 HydrophobicContact CE2-CD1 3.61Å; F464-F500 AromaticContact CE2-CE1 3.7Å; F464-F500 HydrophobicContact CE2-CE1 3.7Å; F464-F500 HydrophobicContact CE2-CG 4.23Å; F464-F500 HydrophobicContact CE2-CZ 4.41Å; F464-F500 HydrophobicContact CG-CZ 4.47Å
465T81.6Confident65.2Low10 Ų10110.3 Ų110.36%0.06157%0.568CS.*  trans-147142.8172.7179.80000111.5N467 E470 L471 F500T465-N467 PolarHBondContact OG1-N 3.42Å; T465-E470 WeakPolarHBondContact CB-OE2 3.42Å; T465-E470 HydrophobicContact CG2-CB 3.73Å; T465-E470 PolarHBondContact OG1-OE2 2.98Å; T465-L471 HydrophobicContact CG2-CD2 3.79Å; T465-L471 HydrophobicContact CG2-CG 4.43Å; T465-F500 HydrophobicContact CG2-CZ 4.28Å
466R86.9Confident68.3Low125 Ų125102.6 Ų102.647%0.47253%0.53SS..SBendtrans-85.8-13.4170.2-60.5-176.2175.181.72.2112.2F464 P497 D498F464-R466 HydrophobicContact CE1-CG 3.6Å; F464-R466 HydrophobicContact CZ-CG 3.84Å; R466-P497 VanDerWaalsContact NH2-C 3.35Å; R466-P497 PolarHBondContact NH2-O 3.03Å; R466-D498 IonicContact CZ-OD1 2.86Å; R466-D498 VanDerWaalsContact CZ-OD1 3.24Å; R466-D498 IonicContact CZ-OD2 2.87Å; R466-D498 IonicContact NH1-OD1 3.03Å; R466-D498 PolarHBondContact NH1-OD1 2.98Å; R466-D498 IonicContact NH1-OD2 3.57Å; R466-D498 IonicContact NH2-OD1 3.41Å; R466-D498 PolarHBondContact NH2-OD1 3.4Å; R466-D498 IonicContact NH2-OD2 3.01Å; R466-D498 PolarHBondContact NH2-OD2 2.93Å
467N79.2Confident71.2Confident69 Ų69103 Ų10337%0.36952%0.515SS..  trans-87.8118.1179.8-1772.1000110.5T465 S469 E470T465-N467 PolarHBondContact OG1-N 3.42Å; N467-S469 PolarHBondContact O-N 3.02Å; N467-S469 PolarHBondContact OD1-N 2.87Å; N467-E470 HydrophobicContact CB-CB 4.36Å; N467-E470 HydrophobicContact CB-CG 4.15Å; N467-E470 VanDerWaalsContact CB-OE1 3.31Å; N467-E470 WeakPolarHBondContact CB-OE1 3.45Å; N467-E470 PolarHBondContact ND2-OE1 3.3Å; N467-E470 PolarHBondContact O-N 3.32Å; N467-E470 VanDerWaalsContact O-N 3.15Å
468R85.4Confident74.1Confident103 Ų10393.4 Ų93.439%0.38947%0.47SS..G310 helixtrans-53.6-37.9175.8177.6-177.4168.2158.710.3112.8E470 L471 F475 V525 L533 E556R468-E470 PolarHBondContact O-N 3.24Å; R468-L471 WeakPolarHBondContact O-CB 3.14Å; R468-L471 PolarHBondContact O-N 2.71Å; R468-F475 HydrophobicContact CG-CE1 3.77Å; R468-F475 HydrophobicContact CG-CZ 3.74Å; R468-F475 WeakPolarHBondContact O-CZ 3.43Å; R468-V525 HydrophobicContact CG-CG1 4.09Å; R468-L533 HydrophobicContact CB-CD1 4.46Å; R468-E556 IonicContact CZ-OE1 2.76Å; R468-E556 IonicContact CZ-OE2 3.76Å; R468-E556 VanDerWaalsContact CZ-OE2 3.3Å; R468-E556 IonicContact NH1-OE1 3.6Å; R468-E556 PolarHBondContact NH1-OE1 3Å; R468-E556 IonicContact NH1-OE2 3.84Å; R468-E556 PolarHBondContact NH1-OE2 2.61Å; R468-E556 VanDerWaalsContact NH2-CD 3.27Å; R468-E556 IonicContact NH2-OE1 2.75Å; R468-E556 PolarHBondContact NH2-OE1 3.33Å; R468-E556 IonicContact NH2-OE2 3.53Å
469S82Confident76.8Confident111 Ų11190 Ų9078%0.77646%0.455SS*.G310 helixtrans-74.4-11.2-175.2-61.20000114.1N467N467-S469 PolarHBondContact O-N 3.02Å; N467-S469 PolarHBondContact OD1-N 2.87Å
470E84.4Confident79.7Confident81 Ų8178 Ų7838%0.37941%0.41SS..G310 helixtrans-93.4-1.8175.5-72.5160.6-143.700112.5T465 N467 R468 N472T465-E470 WeakPolarHBondContact CB-OE2 3.42Å; T465-E470 HydrophobicContact CG2-CB 3.73Å; T465-E470 PolarHBondContact OG1-OE2 2.98Å; N467-E470 HydrophobicContact CB-CB 4.36Å; N467-E470 HydrophobicContact CB-CG 4.15Å; N467-E470 VanDerWaalsContact CB-OE1 3.31Å; N467-E470 WeakPolarHBondContact CB-OE1 3.45Å; N467-E470 PolarHBondContact ND2-OE1 3.3Å; N467-E470 PolarHBondContact O-N 3.32Å; N467-E470 VanDerWaalsContact O-N 3.15Å; R468-E470 PolarHBondContact O-N 3.24Å; E470-N472 PolarHBondContact O-N 2.96Å; E470-N472 PolarHBondContact O-ND2 2.98Å; E470-N472 VanDerWaalsContact O-ND2 3.14Å
471L86Confident82.5Confident12 Ų1280.3 Ų80.36%0.06340%0.401CS..  trans-75.6108.7177.8-64.4178.9000111.3T465 R468 G473 F475 F500 V525 L533 C558 Y561T465-L471 HydrophobicContact CG2-CD2 3.79Å; T465-L471 HydrophobicContact CG2-CG 4.43Å; R468-L471 WeakPolarHBondContact O-CB 3.14Å; R468-L471 PolarHBondContact O-N 2.71Å; L471-G473 PolarHBondContact O-N 2.76Å; L471-F475 HydrophobicContact CB-CE2 4.46Å; L471-F475 HydrophobicContact CB-CZ 3.97Å; L471-F475 HydrophobicContact CD1-CE1 4.15Å; L471-F475 HydrophobicContact CD1-CZ 3.98Å; L471-F500 HydrophobicContact CD2-CE1 3.68Å; L471-F500 HydrophobicContact CD2-CZ 3.77Å; L471-V525 HydrophobicContact CD1-CG1 4.28Å; L471-V525 HydrophobicContact CD1-CG2 3.67Å; L471-L533 HydrophobicContact CD1-CD1 3.88Å; L471-L533 HydrophobicContact CD1-CD2 4.22Å; L471-L533 HydrophobicContact CG-CD1 4.35Å; L471-C558 HydrophobicContact CD1-CB 4Å; L471-Y561 VanDerWaalsContact CA-OH 3.28Å; L471-Y561 WeakPolarHBondContact CA-OH 3.45Å; L471-Y561 HydrophobicContact CD2-CE2 4.23Å; L471-Y561 WeakPolarHBondContact CD2-OH 3.3Å
472N78.1Confident84.7Confident154 Ų15473.4 Ų73.482%0.82437%0.371SS*.  trans-77.637.6-177.8-63.8-72.8000114.2E470 Y561E470-N472 PolarHBondContact O-N 2.96Å; E470-N472 PolarHBondContact O-ND2 2.98Å; E470-N472 VanDerWaalsContact O-ND2 3.14Å; N472-Y561 PolarHBondContact N-OH 3.22Å; N472-Y561 VanDerWaalsContact N-OH 3.11Å
473G82.9Confident86.3Confident20 Ų2069.9 Ų69.921%0.20635%0.349CS..SBendtrans-136.5169.3-172.500000114.6L471 F475 C558 R559L471-G473 PolarHBondContact O-N 2.76Å; G473-F475 PolarHBondContact O-N 3.13Å; G473-C558 WeakPolarHBondContact CA-SG 3.44Å; G473-R559 CarbonylContact C-O 3.53Å; G473-R559 WeakPolarHBondContact CA-O 3.45Å
474T90.8Very high87Confident97 Ų9774 Ų7460%0.59536%0.36SS*.EExtended strand (participates in β ladder)trans-78.3119.6-177.4-56.80000110.6C558 R559T474-C558 WeakPolarHBondContact O-CA 3.18Å; T474-R559 PolarHBondContact N-O 2.91Å; T474-R559 PolarHBondContact O-N 3.04Å
475F92Very high86.9Confident78 Ų7880.5 Ų80.534%0.34238%0.383SS..EExtended strand (participates in β ladder)trans-75.3134.5175.9-74.7-88.1000112.4R468 L471 G473 V525 E556 L557 C558R468-F475 HydrophobicContact CG-CE1 3.77Å; R468-F475 HydrophobicContact CG-CZ 3.74Å; R468-F475 WeakPolarHBondContact O-CZ 3.43Å; L471-F475 HydrophobicContact CB-CE2 4.46Å; L471-F475 HydrophobicContact CB-CZ 3.97Å; L471-F475 HydrophobicContact CD1-CE1 4.15Å; L471-F475 HydrophobicContact CD1-CZ 3.98Å; G473-F475 PolarHBondContact O-N 3.13Å; F475-V525 HydrophobicContact CE1-CG1 4.18Å; F475-V525 HydrophobicContact CE1-CG2 4.06Å; F475-E556 HydrophobicContact CD1-CG 4.38Å; F475-L557 CarbonylContact C-O 3.56Å; F475-L557 WeakPolarHBondContact CA-O 3.5Å; F475-C558 HydrophobicContact CE1-CB 4.41Å
476I93.4Very high87.2Confident29 Ų2981.2 Ų81.215%0.14939%0.392CS..EExtended strand (participates in β ladder)trans-130.9131.5-179.5-58.9175.3000107.9K517 E556 L557 R559I476-K517 HydrophobicContact CG2-CB 4.14Å; I476-E556 WeakPolarHBondContact O-CA 3.33Å; I476-L557 HydrophobicContact CB-CB 4.41Å; I476-L557 PolarHBondContact N-O 2.74Å; I476-L557 PolarHBondContact O-N 2.6Å; I476-R559 HydrophobicContact CD1-CB 4.02Å; I476-R559 VanDerWaalsContact CD1-NH2 3.25Å
477N92.2Very high87.5Confident78 Ų7875.9 Ų75.942%0.41737%0.373SS..EExtended strand (participates in β ladder)trans-115.9131.7173.6-173.214.4000110.9N554 L555N477-N554 PolarHBondContact ND2-OD1 2.71Å; N477-N554 VanDerWaalsContact ND2-OD1 3.12Å; N477-N554 PolarHBondContact OD1-OD1 2.84Å; N477-L555 WeakPolarHBondContact CA-O 3.18Å; N477-L555 PolarHBondContact OD1-O 2.9Å
478T92.3Very high87.9Confident2 Ų272.8 Ų72.81%0.01236%0.357CS..EExtended strand (participates in β ladder)trans-130.9154.4178.1-179.10000112L480 D515 M518 L555 L557T478-L480 HydrophobicContact CG2-CD2 4.34Å; T478-L480 HydrophobicContact CG2-CG 4.27Å; T478-L480 WeakPolarHBondContact OG1-CD2 3.39Å; T478-D515 WeakPolarHBondContact CB-OD2 3.22Å; T478-D515 PolarHBondContact OG1-OD2 2.99Å; T478-M518 HydrophobicContact CG2-CG 3.98Å; T478-M518 HydrophobicContact CG2-SD 3.99Å; T478-L555 HydrophobicContact CG2-CB 3.83Å; T478-L555 PolarHBondContact N-O 3.43Å; T478-L555 PolarHBondContact O-N 2.77Å; T478-L557 HydrophobicContact CG2-CD1 4.38Å
479K93.1Very high88.2Confident137 Ų13769.3 Ų69.360%0.59635%0.345SS*.EExtended strand (participates in β ladder)trans-123.895.6178.7-73.1-173.8176-178.80110.8V553 N554K479-V553 CarbonylContact C-O 3.51Å; K479-V553 VanDerWaalsContact CA-O 3.26Å; K479-V553 WeakPolarHBondContact CA-O 3.32Å; K479-N554 WeakPolarHBondContact CE-OD1 3.47Å
480L94.4Very high88.5Confident3 Ų366.7 Ų66.72%0.01633%0.325CS..EExtended strand (participates in β ladder)trans-94.9142.4-174.8-55.7-172.6000112.3T478 F487 F489 A512 D515 M518 M552 V553 L555T478-L480 HydrophobicContact CG2-CD2 4.34Å; T478-L480 HydrophobicContact CG2-CG 4.27Å; T478-L480 WeakPolarHBondContact OG1-CD2 3.39Å; L480-F487 HydrophobicContact CB-CD1 3.92Å; L480-F487 HydrophobicContact CD1-CB 4.12Å; L480-F487 HydrophobicContact CD1-CD1 4.49Å; L480-F489 HydrophobicContact CD1-CD1 4.14Å; L480-F489 HydrophobicContact CD1-CE1 3.85Å; L480-A512 HydrophobicContact CD1-CB 3.86Å; L480-A512 HydrophobicContact CD2-CB 4.49Å; L480-D515 HydrophobicContact CD2-CB 3.66Å; L480-M518 HydrophobicContact CD1-SD 3.77Å; L480-M552 CarbonylContact O-C 3.59Å; L480-M552 VanDerWaalsContact O-CA 3.31Å; L480-M552 WeakPolarHBondContact O-CA 3.44Å; L480-V553 HydrophobicContact CB-CG1 3.95Å; L480-V553 PolarHBondContact N-O 3.29Å; L480-V553 PolarHBondContact O-N 2.76Å; L480-L555 HydrophobicContact CD1-CD1 3.79Å; L480-L555 HydrophobicContact CG-CD1 4.22Å
481K91.5Very high88.7Confident119 Ų11964.3 Ų64.352%0.51732%0.315SS..EExtended strand (participates in β ladder)trans-91.1123.3171.5-161.3171.5-170.71720110.7S483 P511 G550 S551 M552K481-S483 PolarHBondContact O-N 2.84Å; K481-S483 VanDerWaalsContact O-N 3.13Å; K481-P511 WeakPolarHBondContact O-CB 3.49Å; K481-P511 VanDerWaalsContact O-CG 3.24Å; K481-P511 WeakPolarHBondContact O-CG 3.37Å; K481-G550 WeakPolarHBondContact CE-O 3.44Å; K481-S551 WeakPolarHBondContact CA-O 3.32Å; K481-M552 HydrophobicContact CB-CE 4.24Å; K481-M552 HydrophobicContact CB-SD 3.56Å; K481-M552 VanDerWaalsContact CB-SD 3.56Å; K481-M552 HydrophobicContact CD-CE 4.22Å; K481-M552 HydrophobicContact CD-SD 4.35Å; K481-M552 HydrophobicContact CG-CE 4.37Å; K481-M552 HydrophobicContact CG-SD 3.85Å
482K92.1Very high88.6Confident25 Ų2564.7 Ų64.711%0.10932%0.318CS..  trans-64.7115.5176.8-165.1173.3178.2171.10110.2F487 F544 Q545 I547 I549 G550 S551K482-F487 VanDerWaalsContact CA-CE1 3.5Å; K482-F487 HydrophobicContact CB-CD1 4.13Å; K482-F487 HydrophobicContact CB-CE1 3.41Å; K482-F487 VanDerWaalsContact CB-CE1 3.41Å; K482-F487 HydrophobicContact CB-CE2 4.26Å; K482-F487 HydrophobicContact CB-CZ 3.5Å; K482-F487 HydrophobicContact CD-CE1 4.45Å; K482-F487 HydrophobicContact CD-CE2 3.82Å; K482-F487 HydrophobicContact CD-CZ 3.67Å; K482-F487 HydrophobicContact CG-CD1 4.42Å; K482-F487 HydrophobicContact CG-CD2 4.38Å; K482-F487 HydrophobicContact CG-CE1 3.89Å; K482-F487 HydrophobicContact CG-CE2 3.82Å; K482-F487 HydrophobicContact CG-CZ 3.57Å; K482-F544 PolarHBondContact NZ-O 2.8Å; K482-Q545 PolarHBondContact NZ-O 3.49Å; K482-I547 HydrophobicContact CD-CB 4.34Å; K482-I547 HydrophobicContact CD-CG2 4.25Å; K482-I547 WeakPolarHBondContact CD-O 3.29Å; K482-I547 WeakPolarHBondContact CE-O 3.4Å; K482-I547 PolarHBondContact NZ-O 2.75Å; K482-I549 HydrophobicContact CD-CG1 4.46Å; K482-G550 PolarHBondContact O-N 3.05Å; K482-S551 PolarHBondContact N-O 2.75Å
483S86.8Confident88.7Confident34 Ų3457.5 Ų57.524%0.23828%0.28CS..BIsolated β-bridgetrans-88.1174175.9820000111.6K481 R485 G486K481-S483 PolarHBondContact O-N 2.84Å; K481-S483 VanDerWaalsContact O-N 3.13Å; S483-R485 PolarHBondContact O-N 2.72Å; S483-R485 VanDerWaalsContact O-N 3.16Å; S483-R485 WeakPolarHBondContact OG-CA 3.42Å; S483-R485 PolarHBondContact OG-N 2.82Å; S483-G486 WeakPolarHBondContact CB-O 3.45Å; S483-G486 PolarHBondContact N-O 3.18Å; S483-G486 PolarHBondContact O-N 2.92Å; S483-G486 PolarHBondContact OG-N 3.38Å; S483-G486 PolarHBondContact OG-O 3.46Å
484R80.3Confident88.5Confident236 Ų23656.5 Ų56.589%0.89127%0.271SS*.THydrogen-bonded Turntrans-63.2-11.7167.9-69.6-178.7179.5-96.81.2113.5I549R484-I549 HydrophobicContact CG-CG2 4.07Å
485R80Confident87.7Confident168 Ų16858.5 Ų58.563%0.63428%0.278SS*.THydrogen-bonded Turntrans-107.824.3172.3-54.5-168.2-64179.23.2112.1S483 D509S483-R485 PolarHBondContact O-N 2.72Å; S483-R485 VanDerWaalsContact O-N 3.16Å; S483-R485 WeakPolarHBondContact OG-CA 3.42Å; S483-R485 PolarHBondContact OG-N 2.82Å; R485-D509 PolarHBondContact NH2-O 3.46Å
486G88.4Confident87Confident24 Ų2459.8 Ų59.825%0.24728%0.284CS..BIsolated β-bridgetrans72.3-151.6-173.400000112.9S483S483-G486 WeakPolarHBondContact CB-O 3.45Å; S483-G486 PolarHBondContact N-O 3.18Å; S483-G486 PolarHBondContact O-N 2.92Å; S483-G486 PolarHBondContact OG-N 3.38Å; S483-G486 PolarHBondContact OG-O 3.46Å
487F92.5Very high85.9Confident13 Ų1361.2 Ų61.26%0.05730%0.296CS..THydrogen-bonded Turntrans-90.1-6.9-176.3-62.3-79000114.4L480 K482 F489 P511 A512 F544 I547 V553L480-F487 HydrophobicContact CB-CD1 3.92Å; L480-F487 HydrophobicContact CD1-CB 4.12Å; L480-F487 HydrophobicContact CD1-CD1 4.49Å; K482-F487 VanDerWaalsContact CA-CE1 3.5Å; K482-F487 HydrophobicContact CB-CD1 4.13Å; K482-F487 HydrophobicContact CB-CE1 3.41Å; K482-F487 VanDerWaalsContact CB-CE1 3.41Å; K482-F487 HydrophobicContact CB-CE2 4.26Å; K482-F487 HydrophobicContact CB-CZ 3.5Å; K482-F487 HydrophobicContact CD-CE1 4.45Å; K482-F487 HydrophobicContact CD-CE2 3.82Å; K482-F487 HydrophobicContact CD-CZ 3.67Å; K482-F487 HydrophobicContact CG-CD1 4.42Å; K482-F487 HydrophobicContact CG-CD2 4.38Å; K482-F487 HydrophobicContact CG-CE1 3.89Å; K482-F487 HydrophobicContact CG-CE2 3.82Å; K482-F487 HydrophobicContact CG-CZ 3.57Å; F487-F489 HydrophobicContact CB-CD1 3.79Å; F487-F489 HydrophobicContact CB-CE1 3.44Å; F487-F489 VanDerWaalsContact CB-CE1 3.44Å; F487-F489 HydrophobicContact CB-CZ 4.36Å; F487-F489 HydrophobicContact CG-CE1 4.3Å; F487-P511 WeakPolarHBondContact O-CB 3.35Å; F487-P511 WeakPolarHBondContact O-CD 3.45Å; F487-A512 PolarHBondContact O-N 3.27Å; F487-F544 AromaticContact CD2-CD1 3.67Å; F487-F544 HydrophobicContact CD2-CD1 3.67Å; F487-F544 HydrophobicContact CD2-CE1 4.23Å; F487-F544 HydrophobicContact CD2-CG 4.43Å; F487-F544 HydrophobicContact CE2-CB 4.27Å; F487-F544 AromaticContact CE2-CD1 3.49Å; F487-F544 HydrophobicContact CE2-CD1 3.49Å; F487-F544 VanDerWaalsContact CE2-CD1 3.49Å; F487-F544 HydrophobicContact CE2-CE1 4.28Å; F487-F544 HydrophobicContact CE2-CG 4.32Å; F487-F544 HydrophobicContact CZ-CD1 4.27Å; F487-I547 HydrophobicContact CZ-CB 4.27Å; F487-I547 HydrophobicContact CZ-CD1 4.07Å; F487-I547 HydrophobicContact CZ-CG2 4Å; F487-V553 HydrophobicContact CD1-CG1 3.72Å; F487-V553 HydrophobicContact CE1-CB 3.98Å; F487-V553 HydrophobicContact CE1-CG1 3.26Å; F487-V553 HydrophobicContact CZ-CB 4.23Å; F487-V553 HydrophobicContact CZ-CG1 3.86Å
488G87.4Confident85.3Confident5 Ų561.4 Ų61.45%0.05230%0.297CS..SBendtrans79.832.1174.500000114.7V507G488-V507 WeakPolarHBondContact O-CB 3.36Å; G488-V507 PolarHBondContact O-N 3.41Å
489F92.3Very high85Confident29 Ų2964 Ų6413%0.12731%0.309CS..EExtended strand (participates in β ladder)trans-141.2166.4167.563.4-94.5000110.2L480 F487 V491 I503 S505 L506 A512 M518 I524 F544 L555L480-F489 HydrophobicContact CD1-CD1 4.14Å; L480-F489 HydrophobicContact CD1-CE1 3.85Å; F487-F489 HydrophobicContact CB-CD1 3.79Å; F487-F489 HydrophobicContact CB-CE1 3.44Å; F487-F489 VanDerWaalsContact CB-CE1 3.44Å; F487-F489 HydrophobicContact CB-CZ 4.36Å; F487-F489 HydrophobicContact CG-CE1 4.3Å; F489-V491 HydrophobicContact CD2-CG2 3.83Å; F489-V491 HydrophobicContact CE2-CG2 3.59Å; F489-I503 HydrophobicContact CB-CG2 4.35Å; F489-I503 HydrophobicContact CD2-CD1 3.45Å; F489-I503 VanDerWaalsContact CD2-CD1 3.45Å; F489-I503 HydrophobicContact CE2-CD1 3.64Å; F489-I503 HydrophobicContact CG-CD1 4.09Å; F489-I503 HydrophobicContact CZ-CD1 4.41Å; F489-S505 CarbonylContact C-O 3.59Å; F489-S505 VanDerWaalsContact CA-O 3.24Å; F489-S505 WeakPolarHBondContact CA-O 3.42Å; F489-L506 HydrophobicContact CB-CD2 3.76Å; F489-A512 HydrophobicContact CB-CB 4.25Å; F489-A512 HydrophobicContact CD1-CB 3.9Å; F489-M518 HydrophobicContact CD1-CE 3.91Å; F489-M518 HydrophobicContact CD1-SD 4.35Å; F489-M518 HydrophobicContact CD2-CE 4.48Å; F489-M518 HydrophobicContact CE1-CE 4.11Å; F489-M518 HydrophobicContact CG-CE 4.09Å; F489-M518 HydrophobicContact CZ-CE 4.49Å; F489-I524 HydrophobicContact CE2-CD1 4.29Å; F489-F544 HydrophobicContact CE2-CE2 4.38Å; F489-F544 HydrophobicContact CE2-CZ 4.3Å; F489-F544 AromaticContact CZ-CE1 3.91Å; F489-F544 HydrophobicContact CZ-CE1 3.91Å; F489-F544 HydrophobicContact CZ-CE2 4.12Å; F489-F544 AromaticContact CZ-CZ 3.63Å; F489-F544 HydrophobicContact CZ-CZ 3.63Å; F489-L555 HydrophobicContact CE1-CD1 4Å; F489-L555 HydrophobicContact CZ-CD1 4.14Å
490T87.4Confident84.9Confident57 Ų5758.2 Ų58.235%0.3528%0.284SS..EExtended strand (participates in β ladder)trans-118.7159.9170.265.20000110.2K504 S505T490-K504 PolarHBondContact O-N 3.02Å; T490-S505 PolarHBondContact N-O 2.94Å; T490-S505 PolarHBondContact OG1-N 3.32Å; T490-S505 PolarHBondContact OG1-O 2.79Å; T490-S505 PolarHBondContact OG1-OG 2.88Å
491V89.4Confident84.7Confident30 Ų3058.3 Ų58.318%0.18228%0.284CS..EExtended strand (participates in β ladder)trans-125.8148.6-175.5-171.90000109.2F489 L501 Q502 I524 H537F489-V491 HydrophobicContact CD2-CG2 3.83Å; F489-V491 HydrophobicContact CE2-CG2 3.59Å; V491-L501 HydrophobicContact CG1-CB 4.14Å; V491-L501 HydrophobicContact CG1-CD2 3.63Å; V491-Q502 CarbonylContact C-O 3.56Å; V491-Q502 VanDerWaalsContact CA-O 3.27Å; V491-Q502 WeakPolarHBondContact CA-O 3.4Å; V491-Q502 WeakPolarHBondContact CG1-O 3.17Å; V491-I524 HydrophobicContact CG1-CD1 4.08Å; V491-I524 HydrophobicContact CG2-CD1 3.86Å; V491-H537 PolarHBondContact O-CE1 2.61Å
492V83.4Confident84.7Confident20 Ų2053.1 Ų53.112%0.12126%0.262CS..EExtended strand (participates in β ladder)trans-130.4160.2171.5660000109.7Q502 K504 L563 P564V492-Q502 HydrophobicContact CG1-CB 4.3Å; V492-Q502 PolarHBondContact N-O 2.81Å; V492-Q502 PolarHBondContact O-N 2.87Å; V492-K504 HydrophobicContact CB-CB 3.99Å; V492-K504 HydrophobicContact CB-CD 4.06Å; V492-K504 HydrophobicContact CB-CG 4.39Å; V492-K504 HydrophobicContact CG1-CB 4Å; V492-K504 HydrophobicContact CG2-CD 4.49Å; V492-L563 HydrophobicContact CG1-CD1 3.57Å; V492-L563 HydrophobicContact CG1-CG 4.05Å; V492-P564 HydrophobicContact CG1-CG 3.87Å; V492-P564 HydrophobicContact CG2-CG 4.18Å
493G80.7Confident84.7Confident3 Ų352 Ų523%0.03126%0.257CS..  trans73-177-174.600000113E499 L501 H537G493-E499 WeakPolarHBondContact CA-OE1 3.22Å; G493-E499 WeakPolarHBondContact CA-OE2 3.35Å; G493-L501 WeakPolarHBondContact O-CD2 3.42Å; G493-H537 PolarHBondContact O-ND1 2.81Å
494G77.4Confident84.7Confident0 Ų052.4 Ų52.40%025%0.254CS..  trans7722.8-169.900000112.8E496 E499 T536 H537G494-E496 CarbonylContact C-O 3.6Å; G494-E499 PolarHBondContact N-OE2 3.17Å; G494-T536 CarbonylContact O-C 3.59Å; G494-T536 WeakPolarHBondContact O-CA 3.31Å; G494-T536 WeakPolarHBondContact O-CB 3.44Å; G494-H537 PolarHBondContact O-N 2.95Å
495D75.9Confident84.8Confident139 Ų13943.1 Ų43.174%0.74323%0.226SC*.SBendtrans-77.5-37.1172.2-71.7-37.2000110.3E499D495-E499 PolarHBondContact N-OE2 2.8Å
496E75.4Confident85.2Confident104 Ų10437.8 Ų37.849%0.48621%0.209SC..SBendtrans-93.2148160.4-65.2-174151.600110.3K461 G494 D498 E499K461-E496 IonicContact NZ-OE2 3.53Å; K461-E496 PolarHBondContact NZ-OE2 3.02Å; G494-E496 CarbonylContact C-O 3.6Å; E496-D498 PolarHBondContact O-N 3.33Å; E496-E499 HydrophobicContact CB-CB 4.44Å; E496-E499 WeakPolarHBondContact O-CB 3.31Å; E496-E499 PolarHBondContact O-N 2.95Å
497P71.3Confident85.2Confident60 Ų6039.4 Ų39.439%0.3922%0.215SC..THydrogen-bonded Turntrans-71.9-2.9173.233-37.1000113.3R466 G534 T536R466-P497 VanDerWaalsContact NH2-C 3.35Å; R466-P497 PolarHBondContact NH2-O 3.03Å; P497-G534 WeakPolarHBondContact O-CA 3.48Å; P497-T536 HydrophobicContact CB-CG2 4.35Å
498D79.9Confident84.4Confident81 Ų8146.1 Ų46.143%0.43325%0.25SS..THydrogen-bonded Turntrans-10929.9173.9-72.7-84.2000112F464 R466 E496F464-D498 VanDerWaalsContact CB-O 3.28Å; F464-D498 WeakPolarHBondContact CB-O 3.2Å; F464-D498 VanDerWaalsContact CD1-CA 3.47Å; F464-D498 HydrophobicContact CD1-CB 3.86Å; F464-D498 WeakPolarHBondContact CD1-OD1 3.45Å; F464-D498 HydrophobicContact CE1-CB 4.22Å; F464-D498 VanDerWaalsContact CG-C 3.42Å; F464-D498 HydrophobicContact CG-CB 4.45Å; F464-D498 WeakPolarHBondContact CG-O 3.47Å; R466-D498 IonicContact CZ-OD1 2.86Å; R466-D498 VanDerWaalsContact CZ-OD1 3.24Å; R466-D498 IonicContact CZ-OD2 2.87Å; R466-D498 IonicContact NH1-OD1 3.03Å; R466-D498 PolarHBondContact NH1-OD1 2.98Å; R466-D498 IonicContact NH1-OD2 3.57Å; R466-D498 IonicContact NH2-OD1 3.41Å; R466-D498 PolarHBondContact NH2-OD1 3.4Å; R466-D498 IonicContact NH2-OD2 3.01Å; R466-D498 PolarHBondContact NH2-OD2 2.93Å; E496-D498 PolarHBondContact O-N 3.33Å
499E85.6Confident84Confident58 Ų5852 Ų5227%0.27128%0.28SS..SBendtrans-123.1148.4176.1-165.4-174.3-162.900111.4F464 G493 G494 D495 E496F464-E499 WeakPolarHBondContact CE2-O 3.14Å; G493-E499 WeakPolarHBondContact CA-OE1 3.22Å; G493-E499 WeakPolarHBondContact CA-OE2 3.35Å; G494-E499 PolarHBondContact N-OE2 3.17Å; D495-E499 PolarHBondContact N-OE2 2.8Å; E496-E499 HydrophobicContact CB-CB 4.44Å; E496-E499 WeakPolarHBondContact O-CB 3.31Å; E496-E499 PolarHBondContact O-N 2.95Å
500F90Very high83.6Confident14 Ų1450.6 Ų50.66%0.06128%0.275CS..  trans-81.2128.9174.2-67.7-57.9000112F464 T465 L471 Q502 V523 L533 Y561F464-F500 HydrophobicContact CB-CE2 4.49Å; F464-F500 AromaticContact CD2-CD1 3.6Å; F464-F500 HydrophobicContact CD2-CD1 3.6Å; F464-F500 HydrophobicContact CD2-CD2 4.11Å; F464-F500 AromaticContact CD2-CE1 3.55Å; F464-F500 HydrophobicContact CD2-CE1 3.55Å; F464-F500 HydrophobicContact CD2-CE2 4.08Å; F464-F500 AromaticContact CD2-CG 3.89Å; F464-F500 HydrophobicContact CD2-CG 3.89Å; F464-F500 AromaticContact CD2-CZ 3.81Å; F464-F500 HydrophobicContact CD2-CZ 3.81Å; F464-F500 AromaticContact CE2-CD1 3.61Å; F464-F500 HydrophobicContact CE2-CD1 3.61Å; F464-F500 AromaticContact CE2-CE1 3.7Å; F464-F500 HydrophobicContact CE2-CE1 3.7Å; F464-F500 HydrophobicContact CE2-CG 4.23Å; F464-F500 HydrophobicContact CE2-CZ 4.41Å; F464-F500 HydrophobicContact CG-CZ 4.47Å; T465-F500 HydrophobicContact CG2-CZ 4.28Å; L471-F500 HydrophobicContact CD2-CE1 3.68Å; L471-F500 HydrophobicContact CD2-CZ 3.77Å; F500-Q502 HydrophobicContact CB-CG 4.26Å; F500-Q502 PolarHBondContact O-N 2.92Å; F500-V523 HydrophobicContact CB-CG1 4.02Å; F500-V523 HydrophobicContact CB-CG2 4.05Å; F500-V523 HydrophobicContact CD1-CG1 3.79Å; F500-V523 HydrophobicContact CG-CG1 4.11Å; F500-V523 HydrophobicContact CG-CG2 4.19Å; F500-L533 HydrophobicContact CD1-CD2 4.2Å; F500-L533 HydrophobicContact CE1-CD2 4.24Å; F500-Y561 HydrophobicContact CD2-CD1 4.04Å; F500-Y561 HydrophobicContact CD2-CE1 4.29Å; F500-Y561 AromaticContact CE2-CD1 3.8Å; F500-Y561 HydrophobicContact CE2-CD1 3.8Å; F500-Y561 AromaticContact CE2-CE1 3.6Å; F500-Y561 HydrophobicContact CE2-CE1 3.6Å; F500-Y561 HydrophobicContact CZ-CE1 4.06Å
501L91.3Very high83.7Confident6 Ų648.9 Ų48.93%0.03127%0.265CS..  trans-73.3116.1166.2-78.2161.5000110V491 G493 V523 I524 Y535 H537 V540V491-L501 HydrophobicContact CG1-CB 4.14Å; V491-L501 HydrophobicContact CG1-CD2 3.63Å; G493-L501 WeakPolarHBondContact O-CD2 3.42Å; L501-V523 CarbonylContact O-C 3.56Å; L501-V523 WeakPolarHBondContact O-CA 3.43Å; L501-I524 PolarHBondContact O-N 2.92Å; L501-Y535 VanDerWaalsContact CD1-O 3.25Å; L501-Y535 WeakPolarHBondContact CD1-O 3.18Å; L501-H537 HydrophobicContact CD2-CB 4.15Å; L501-V540 HydrophobicContact CD1-CB 3.76Å; L501-V540 HydrophobicContact CD1-CG1 4.24Å; L501-V540 HydrophobicContact CD1-CG2 3.35Å
502Q91.7Very high83.8Confident10 Ų1047.5 Ų47.55%0.04726%0.256CS..EExtended strand (participates in β ladder)trans-123.7148.3-175.1-74.5173.4-93.200113.2V491 V492 F500 K504 G521 D522 V523 Y561 P562 L563 P564V491-Q502 CarbonylContact C-O 3.56Å; V491-Q502 VanDerWaalsContact CA-O 3.27Å; V491-Q502 WeakPolarHBondContact CA-O 3.4Å; V491-Q502 WeakPolarHBondContact CG1-O 3.17Å; V492-Q502 HydrophobicContact CG1-CB 4.3Å; V492-Q502 PolarHBondContact N-O 2.81Å; V492-Q502 PolarHBondContact O-N 2.87Å; F500-Q502 HydrophobicContact CB-CG 4.26Å; F500-Q502 PolarHBondContact O-N 2.92Å; Q502-K504 PolarHBondContact O-N 3.43Å; Q502-G521 PolarHBondContact NE2-O 2.75Å; Q502-D522 CarbonylContact C-O 3.6Å; Q502-D522 WeakPolarHBondContact CA-O 3.44Å; Q502-V523 HydrophobicContact CG-CB 4.29Å; Q502-V523 HydrophobicContact CG-CG2 3.62Å; Q502-Y561 PolarHBondContact NE2-O 2.92Å; Q502-P562 PolarHBondContact NE2-O 3.1Å; Q502-P562 PolarHBondContact OE1-O 2.94Å; Q502-L563 HydrophobicContact CB-CD1 3.94Å; Q502-P564 VanDerWaalsContact OE1-CD 3.3Å
503I91.8Very high83.9Confident0 Ų048.4 Ų48.40%027%0.266CS..EExtended strand (participates in β ladder)trans-68.4114.2176.1-57-58.3000109.8F489 L506 M518 T520 G521 D522 I524 L563F489-I503 HydrophobicContact CB-CG2 4.35Å; F489-I503 HydrophobicContact CD2-CD1 3.45Å; F489-I503 VanDerWaalsContact CD2-CD1 3.45Å; F489-I503 HydrophobicContact CE2-CD1 3.64Å; F489-I503 HydrophobicContact CG-CD1 4.09Å; F489-I503 HydrophobicContact CZ-CD1 4.41Å; I503-L506 HydrophobicContact CG2-CD2 3.8Å; I503-M518 HydrophobicContact CD1-CE 3.35Å; I503-M518 HydrophobicContact CG1-CE 3.64Å; I503-M518 HydrophobicContact CG2-CE 4.5Å; I503-T520 CarbonylContact O-C 3.54Å; I503-T520 VanDerWaalsContact O-CA 3.32Å; I503-T520 WeakPolarHBondContact O-CA 3.27Å; I503-G521 PolarHBondContact O-N 3.04Å; I503-D522 HydrophobicContact CB-CB 4.47Å; I503-D522 HydrophobicContact CG1-CB 4.06Å; I503-D522 WeakPolarHBondContact CG1-O 3.47Å; I503-D522 PolarHBondContact N-O 3.5Å; I503-I524 HydrophobicContact CD1-CD1 3.97Å; I503-I524 HydrophobicContact CD1-CG1 4Å; I503-L563 WeakPolarHBondContact O-CD1 3.47Å
504K85.9Confident84.2Confident43 Ų4354.4 Ų54.419%0.18730%0.296CS..EExtended strand (participates in β ladder)trans-82.5-51.1-179.5179.6173.8176.4171.80111.8T490 V492 Q502 T520 D566 D569T490-K504 PolarHBondContact O-N 3.02Å; V492-K504 HydrophobicContact CB-CB 3.99Å; V492-K504 HydrophobicContact CB-CD 4.06Å; V492-K504 HydrophobicContact CB-CG 4.39Å; V492-K504 HydrophobicContact CG1-CB 4Å; V492-K504 HydrophobicContact CG2-CD 4.49Å; Q502-K504 PolarHBondContact O-N 3.43Å; K504-T520 WeakPolarHBondContact O-CG2 3.34Å; K504-T520 PolarHBondContact O-OG1 3.13Å; K504-D566 IonicContact NZ-OD2 2.68Å; K504-D566 PolarHBondContact NZ-OD2 2.99Å; K504-D569 WeakPolarHBondContact CE-OD2 3.27Å; K504-D569 IonicContact NZ-OD2 3.85Å
505S84.1Confident84.7Confident42 Ų4256.8 Ų56.829%0.29431%0.309SS..EExtended strand (participates in β ladder)trans-150.6155.4177.466.90000113.2F489 T490F489-S505 CarbonylContact C-O 3.59Å; F489-S505 VanDerWaalsContact CA-O 3.24Å; F489-S505 WeakPolarHBondContact CA-O 3.42Å; T490-S505 PolarHBondContact N-O 2.94Å; T490-S505 PolarHBondContact OG1-N 3.32Å; T490-S505 PolarHBondContact OG1-O 2.79Å; T490-S505 PolarHBondContact OG1-OG 2.88Å
506L88.4Confident85.3Confident55 Ų5552.9 Ų52.929%0.28830%0.302SS..EExtended strand (participates in β ladder)trans-104.1137.3175.9-57.8177.2000110.4F489 I503 A512 M518F489-L506 HydrophobicContact CB-CD2 3.76Å; I503-L506 HydrophobicContact CG2-CD2 3.8Å; L506-A512 HydrophobicContact CD2-CB 4.05Å; L506-M518 VanDerWaalsContact CD1-O 3.24Å; L506-M518 WeakPolarHBondContact CD1-O 3.29Å; L506-M518 HydrophobicContact CD2-CB 4.16Å
507V87.1Confident85.9Confident59 Ų5952.4 Ų52.436%0.35830%0.298SS..  trans-86.5122.3179.4-178.50000109.2G488 D509 G510 A513G488-V507 WeakPolarHBondContact O-CB 3.36Å; G488-V507 PolarHBondContact O-N 3.41Å; V507-D509 PolarHBondContact O-N 2.94Å; V507-G510 VanDerWaalsContact O-CA 3.31Å; V507-G510 WeakPolarHBondContact O-CA 3.4Å; V507-G510 PolarHBondContact O-N 3.21Å; V507-A513 VanDerWaalsContact O-CB 3.29Å; V507-A513 WeakPolarHBondContact O-CB 3.4Å
508L76.4Confident86.9Confident153 Ų15349.8 Ų49.880%0.80128%0.281SS*.THydrogen-bonded Turntrans-55.2134171.7-66.8165.4000110.7G510L508-G510 PolarHBondContact O-N 3.03Å
509D78.4Confident87.3Confident128 Ų12850.7 Ų50.768%0.68428%0.282SS*.THydrogen-bonded Turntrans54.427.8-168.3-55.8-33.5000114.4R485 V507R485-D509 PolarHBondContact NH2-O 3.46Å; V507-D509 PolarHBondContact O-N 2.94Å
510G84.7Confident87.3Confident1 Ų151.5 Ų51.51%0.0129%0.291CS..SBendtrans-95.3153.5170.800000112.3V507 L508 A512 A513 L514V507-G510 VanDerWaalsContact O-CA 3.31Å; V507-G510 WeakPolarHBondContact O-CA 3.4Å; V507-G510 PolarHBondContact O-N 3.21Å; L508-G510 PolarHBondContact O-N 3.03Å; G510-A512 VanDerWaalsContact C-N 3.32Å; G510-A512 PolarHBondContact O-N 2.9Å; G510-A513 PolarHBondContact O-N 3.48Å; G510-A513 VanDerWaalsContact O-N 3.11Å; G510-L514 WeakPolarHBondContact O-CG 3.32Å; G510-L514 PolarHBondContact O-N 3.49Å
511P89.4Confident87Confident21 Ų2151.2 Ų51.214%0.13629%0.292CS..Hα-helixtrans-51.9-40.9-178-28.633.2000115.6K481 F487 L514 D515K481-P511 WeakPolarHBondContact O-CB 3.49Å; K481-P511 VanDerWaalsContact O-CG 3.24Å; K481-P511 WeakPolarHBondContact O-CG 3.37Å; F487-P511 WeakPolarHBondContact O-CB 3.35Å; F487-P511 WeakPolarHBondContact O-CD 3.45Å; P511-L514 PolarHBondContact O-N 3.08Å; P511-D515 PolarHBondContact O-N 2.94Å
512A90.6Very high87.1Confident0 Ų051 Ų510%029%0.291CS..Hα-helixtrans-63.6-47.1175.300000113.3L480 F487 F489 L506 G510 L514 D515 G516 M518L480-A512 HydrophobicContact CD1-CB 3.86Å; L480-A512 HydrophobicContact CD2-CB 4.49Å; F487-A512 PolarHBondContact O-N 3.27Å; F489-A512 HydrophobicContact CB-CB 4.25Å; F489-A512 HydrophobicContact CD1-CB 3.9Å; L506-A512 HydrophobicContact CD2-CB 4.05Å; G510-A512 VanDerWaalsContact C-N 3.32Å; G510-A512 PolarHBondContact O-N 2.9Å; A512-L514 PolarHBondContact O-N 3.44Å; A512-D515 PolarHBondContact O-N 2.83Å; A512-G516 PolarHBondContact O-N 3.23Å; A512-M518 HydrophobicContact CB-CE 4.49Å; A512-M518 HydrophobicContact CB-SD 3.58Å; A512-M518 VanDerWaalsContact CB-SD 3.58Å
513A86.3Confident87.2Confident40 Ų4050.5 Ų50.533%0.33129%0.288SS..Hα-helixtrans-65.1-26.2176.400000112.9V507 G510V507-A513 VanDerWaalsContact O-CB 3.29Å; V507-A513 WeakPolarHBondContact O-CB 3.4Å; G510-A513 PolarHBondContact O-N 3.48Å; G510-A513 VanDerWaalsContact O-N 3.11Å
514L86.7Confident87.3Confident128 Ų12850.6 Ų50.667%0.6729%0.289SS*.Hα-helixtrans-81.5-23.2175.4-68.6170.7000113.7G510 P511 A512G510-L514 WeakPolarHBondContact O-CG 3.32Å; G510-L514 PolarHBondContact O-N 3.49Å; P511-L514 PolarHBondContact O-N 3.08Å; A512-L514 PolarHBondContact O-N 3.44Å
515D88.9Confident87.7Confident50 Ų5048.5 Ų48.527%0.26728%0.28SS..Hα-helixtrans-81.6-30.4170.4-176.376.5000112.2T478 L480 P511 A512 K517T478-D515 WeakPolarHBondContact CB-OD2 3.22Å; T478-D515 PolarHBondContact OG1-OD2 2.99Å; L480-D515 HydrophobicContact CD2-CB 3.66Å; P511-D515 PolarHBondContact O-N 2.94Å; A512-D515 PolarHBondContact O-N 2.83Å; D515-K517 PolarHBondContact O-N 3.01Å; D515-K517 IonicContact OD1-NZ 3.82Å; D515-K517 PolarHBondContact OD1-NZ 3.37Å; D515-K517 WeakPolarHBondContact OD2-CB 3.3Å; D515-K517 VanDerWaalsContact OD2-CG 3.26Å; D515-K517 WeakPolarHBondContact OD2-CG 3.45Å; D515-K517 IonicContact OD2-NZ 2.73Å; D515-K517 PolarHBondContact OD2-NZ 3Å
516G87.4Confident88.1Confident57 Ų5746.8 Ų46.859%0.58827%0.268SS*.  trans72.64.9167.500000116.2A512A512-G516 PolarHBondContact O-N 3.23Å
517K88.8Confident88.4Confident95 Ų9544.2 Ų44.241%0.41326%0.255SS..  trans-90.7-22.6177.9-58.3-173.1-16080.90114.3I476 D515 R559I476-K517 HydrophobicContact CG2-CB 4.14Å; D515-K517 PolarHBondContact O-N 3.01Å; D515-K517 IonicContact OD1-NZ 3.82Å; D515-K517 PolarHBondContact OD1-NZ 3.37Å; D515-K517 WeakPolarHBondContact OD2-CB 3.3Å; D515-K517 VanDerWaalsContact OD2-CG 3.26Å; D515-K517 WeakPolarHBondContact OD2-CG 3.45Å; D515-K517 IonicContact OD2-NZ 2.73Å; D515-K517 PolarHBondContact OD2-NZ 3Å; K517-R559 PolarHBondContact O-NH2 2.89Å
518M92.2Very high88.4Confident5 Ų544.8 Ų44.83%0.02526%0.255CS..  trans-85.4145.5-178.2-57.8-176.759.800110.8T478 L480 F489 I503 L506 A512 L557T478-M518 HydrophobicContact CG2-CG 3.98Å; T478-M518 HydrophobicContact CG2-SD 3.99Å; L480-M518 HydrophobicContact CD1-SD 3.77Å; F489-M518 HydrophobicContact CD1-CE 3.91Å; F489-M518 HydrophobicContact CD1-SD 4.35Å; F489-M518 HydrophobicContact CD2-CE 4.48Å; F489-M518 HydrophobicContact CE1-CE 4.11Å; F489-M518 HydrophobicContact CG-CE 4.09Å; F489-M518 HydrophobicContact CZ-CE 4.49Å; I503-M518 HydrophobicContact CD1-CE 3.35Å; I503-M518 HydrophobicContact CG1-CE 3.64Å; I503-M518 HydrophobicContact CG2-CE 4.5Å; L506-M518 VanDerWaalsContact CD1-O 3.24Å; L506-M518 WeakPolarHBondContact CD1-O 3.29Å; L506-M518 HydrophobicContact CD2-CB 4.16Å; A512-M518 HydrophobicContact CB-CE 4.49Å; A512-M518 HydrophobicContact CB-SD 3.58Å; A512-M518 VanDerWaalsContact CB-SD 3.58Å; M518-L557 HydrophobicContact CB-CD1 4.36Å; M518-L557 HydrophobicContact CE-CD1 3.87Å; M518-L557 HydrophobicContact CG-CD1 3.65Å; M518-L557 HydrophobicContact SD-CD1 4.22Å
519E87Confident88.8Confident99 Ų9943.4 Ų43.446%0.46325%0.249SC..  trans-132.4162.4172.7-77.8159.2-14100110.6D522 R559E519-D522 PolarHBondContact N-OD2 2.83Å; E519-D522 WeakPolarHBondContact O-CB 3.11Å; E519-D522 PolarHBondContact O-N 2.88Å; E519-R559 IonicContact OE1-CZ 3.85Å; E519-R559 IonicContact OE1-NH1 2.92Å; E519-R559 PolarHBondContact OE1-NH1 3.17Å; E519-R559 IonicContact OE1-NH2 3.17Å; E519-R559 IonicContact OE2-CZ 2.72Å; E519-R559 VanDerWaalsContact OE2-CZ 3.23Å; E519-R559 IonicContact OE2-NE 2.75Å; E519-R559 IonicContact OE2-NH1 3.29Å; E519-R559 PolarHBondContact OE2-NH1 3.18Å; E519-R559 IonicContact OE2-NH2 3.46Å
520T85.8Confident89.3Confident76 Ų7640.5 Ų40.547%0.46624%0.236SC..THydrogen-bonded Turntrans-65.8133.4170.7-75.70000109.9I503 K504 L563I503-T520 CarbonylContact O-C 3.54Å; I503-T520 VanDerWaalsContact O-CA 3.32Å; I503-T520 WeakPolarHBondContact O-CA 3.27Å; K504-T520 WeakPolarHBondContact O-CG2 3.34Å; K504-T520 PolarHBondContact O-OG1 3.13Å; T520-L563 HydrophobicContact CG2-CD1 4.3Å; T520-L563 HydrophobicContact CG2-CD2 3.87Å
521G84Confident89.6Confident7 Ų743.1 Ų43.17%0.07225%0.253CS..THydrogen-bonded Turntrans101.5-17.3-175.900000114.5Q502 I503 V523Q502-G521 PolarHBondContact NE2-O 2.75Å; I503-G521 PolarHBondContact O-N 3.04Å; G521-V523 PolarHBondContact O-N 3.22Å
522D93.4Very high89.7Confident1 Ų142.1 Ų42.11%0.00525%0.247CC..  trans-58.8125.4176.6-75-18000111.2Q502 I503 E519 L557 R559Q502-D522 CarbonylContact C-O 3.6Å; Q502-D522 WeakPolarHBondContact CA-O 3.44Å; I503-D522 HydrophobicContact CB-CB 4.47Å; I503-D522 HydrophobicContact CG1-CB 4.06Å; I503-D522 WeakPolarHBondContact CG1-O 3.47Å; I503-D522 PolarHBondContact N-O 3.5Å; E519-D522 PolarHBondContact N-OD2 2.83Å; E519-D522 WeakPolarHBondContact O-CB 3.11Å; E519-D522 PolarHBondContact O-N 2.88Å; D522-L557 HydrophobicContact CB-CB 4.29Å; D522-L557 HydrophobicContact CB-CD1 4.31Å; D522-R559 VanDerWaalsContact OD1-CB 3.27Å; D522-R559 WeakPolarHBondContact OD1-CB 3.43Å; D522-R559 WeakPolarHBondContact OD1-CG 3.4Å; D522-R559 IonicContact OD1-CZ 3.56Å; D522-R559 IonicContact OD1-NE 2.79Å; D522-R559 PolarHBondContact OD1-NE 2.9Å; D522-R559 IonicContact OD1-NH2 2.7Å; D522-R559 PolarHBondContact OD1-NH2 2.93Å; D522-R559 IonicContact OD2-CZ 2.84Å; D522-R559 IonicContact OD2-NE 2.68Å; D522-R559 IonicContact OD2-NH2 2.66Å; D522-R559 PolarHBondContact OD2-NH2 2.77Å
523V93.3Very high89.7Confident0 Ų042.7 Ų42.70%025%0.25CS..EExtended strand (participates in β ladder)trans-76.3135.5174.5176.30000109.6F500 L501 Q502 G521 V525 L533 L557 C558 Y561F500-V523 HydrophobicContact CB-CG1 4.02Å; F500-V523 HydrophobicContact CB-CG2 4.05Å; F500-V523 HydrophobicContact CD1-CG1 3.79Å; F500-V523 HydrophobicContact CG-CG1 4.11Å; F500-V523 HydrophobicContact CG-CG2 4.19Å; L501-V523 CarbonylContact O-C 3.56Å; L501-V523 WeakPolarHBondContact O-CA 3.43Å; Q502-V523 HydrophobicContact CG-CB 4.29Å; Q502-V523 HydrophobicContact CG-CG2 3.62Å; G521-V523 PolarHBondContact O-N 3.22Å; V523-V525 PolarHBondContact O-N 2.69Å; V523-L533 HydrophobicContact CG1-CD2 4.09Å; V523-L557 CarbonylContact O-C 3.47Å; V523-L557 WeakPolarHBondContact O-CA 3.29Å; V523-C558 HydrophobicContact CB-CB 4.34Å; V523-C558 PolarHBondContact N-O 2.71Å; V523-C558 PolarHBondContact O-N 2.81Å; V523-Y561 HydrophobicContact CB-CD2 4.44Å; V523-Y561 HydrophobicContact CG2-CD2 3.47Å; V523-Y561 VanDerWaalsContact CG2-CD2 3.47Å; V523-Y561 HydrophobicContact CG2-CE2 4.31Å; V523-Y561 HydrophobicContact CG2-CG 3.63Å
524I94.6Very high89.5Confident2 Ų241.4 Ų41.41%0.0124%0.241CC..EExtended strand (participates in β ladder)trans-81.5114.8172.2-49.6179.3000109F489 V491 L501 I503 V527 V532 F544 L557F489-I524 HydrophobicContact CE2-CD1 4.29Å; V491-I524 HydrophobicContact CG1-CD1 4.08Å; V491-I524 HydrophobicContact CG2-CD1 3.86Å; L501-I524 PolarHBondContact O-N 2.92Å; I503-I524 HydrophobicContact CD1-CD1 3.97Å; I503-I524 HydrophobicContact CD1-CG1 4Å; I524-V527 HydrophobicContact CG2-CG2 3.97Å; I524-V532 HydrophobicContact CB-CG2 4.37Å; I524-V532 HydrophobicContact CG2-CG2 3.75Å; I524-F544 HydrophobicContact CD1-CE2 4.22Å; I524-L557 HydrophobicContact CB-CD2 4.31Å; I524-L557 HydrophobicContact CG1-CD2 4.07Å; I524-L557 HydrophobicContact CG2-CD2 4.35Å
525V93.6Very high89.7Confident0 Ų039.3 Ų39.30%023%0.225CC..EExtended strand (participates in β ladder)trans-96.4-49.3-177.8-178.50000111.4R468 L471 F475 V523 C531 V532 L533 E556 C558R468-V525 HydrophobicContact CG-CG1 4.09Å; L471-V525 HydrophobicContact CD1-CG1 4.28Å; L471-V525 HydrophobicContact CD1-CG2 3.67Å; F475-V525 HydrophobicContact CE1-CG1 4.18Å; F475-V525 HydrophobicContact CE1-CG2 4.06Å; V523-V525 PolarHBondContact O-N 2.69Å; V525-C531 WeakPolarHBondContact O-CA 3.21Å; V525-C531 PolarHBondContact O-SG 2.87Å; V525-V532 PolarHBondContact O-N 2.87Å; V525-L533 HydrophobicContact CG1-CD1 4.23Å; V525-L533 HydrophobicContact CG1-CG 4.3Å; V525-L533 HydrophobicContact CG2-CD2 4.43Å; V525-E556 WeakPolarHBondContact CA-O 3.5Å; V525-E556 WeakPolarHBondContact CB-O 3.48Å; V525-E556 PolarHBondContact N-O 3.03Å; V525-C558 HydrophobicContact CG2-CB 3.65Å
526S93.3Very high89.7Confident6 Ų638.8 Ų38.84%0.04222%0.223CC..EExtended strand (participates in β ladder)trans-146150.7179.9760000113.3T530 E556S526-T530 CarbonylContact C-O 3.5Å; S526-T530 WeakPolarHBondContact CA-O 3.42Å; S526-T530 VanDerWaalsContact CB-O 3.25Å; S526-T530 WeakPolarHBondContact CB-O 3.34Å; S526-E556 PolarHBondContact N-O 2.8Å; S526-E556 PolarHBondContact O-N 2.89Å; S526-E556 WeakPolarHBondContact OG-CB 3.28Å; S526-E556 PolarHBondContact OG-OE2 2.8Å
527V94.1Very high89.6Confident1 Ų139 Ų391%0.00621%0.209CC..EExtended strand (participates in β ladder)trans-130.3114.5-177.9-176.10000108.7I524 D529 T530 V532 I543 F544 I547 V553 L555I524-V527 HydrophobicContact CG2-CG2 3.97Å; V527-D529 PolarHBondContact O-N 2.83Å; V527-T530 PolarHBondContact N-O 2.88Å; V527-T530 WeakPolarHBondContact O-CB 3.22Å; V527-T530 PolarHBondContact O-N 2.86Å; V527-V532 HydrophobicContact CB-CG1 4.38Å; V527-V532 HydrophobicContact CG2-CG1 4.02Å; V527-V532 HydrophobicContact CG2-CG2 4.11Å; V527-I543 HydrophobicContact CB-CG2 4.16Å; V527-I543 HydrophobicContact CG1-CG2 3.64Å; V527-F544 HydrophobicContact CG1-CE1 4.19Å; V527-F544 HydrophobicContact CG1-CZ 4.4Å; V527-F544 HydrophobicContact CG2-CE2 4.39Å; V527-F544 HydrophobicContact CG2-CZ 3.99Å; V527-I547 HydrophobicContact CG1-CD1 4.4Å; V527-V553 HydrophobicContact CG1-CG2 3.73Å; V527-L555 HydrophobicContact CB-CD2 4.07Å; V527-L555 HydrophobicContact CG1-CD2 3.81Å; V527-L555 HydrophobicContact CG2-CD2 3.73Å
528N88.6Confident89.4Confident70 Ų7037.2 Ų37.237%0.37421%0.212SC..THydrogen-bonded Turntrans45.452.1-168.6-69.4-24.4000111.4T530 V553 N554N528-T530 PolarHBondContact O-N 2.81Å; N528-V553 WeakPolarHBondContact OD1-CA 3.44Å; N528-V553 WeakPolarHBondContact OD1-CG2 3.47Å; N528-N554 PolarHBondContact N-O 3.47Å; N528-N554 PolarHBondContact OD1-N 3.2Å
529D84.4Confident89.2Confident125 Ų12541.3 Ų41.367%0.66823%0.231SC*.THydrogen-bonded Turntrans652.1174.6-40-35.5000114.6V527 N554V527-D529 PolarHBondContact O-N 2.83Å; D529-N554 PolarHBondContact OD1-ND2 2.77Å
530T88.2Confident89.1Confident66 Ų6636.8 Ų36.841%0.40521%0.21SC..EExtended strand (participates in β ladder)trans-82.8118.4167-54.90000109.2S526 V527 N528S526-T530 CarbonylContact C-O 3.5Å; S526-T530 WeakPolarHBondContact CA-O 3.42Å; S526-T530 VanDerWaalsContact CB-O 3.25Å; S526-T530 WeakPolarHBondContact CB-O 3.34Å; V527-T530 PolarHBondContact N-O 2.88Å; V527-T530 WeakPolarHBondContact O-CB 3.22Å; V527-T530 PolarHBondContact O-N 2.86Å; N528-T530 PolarHBondContact O-N 2.81Å
531C90.4Very high89.2Confident56 Ų5635.5 Ų35.538%0.37820%0.201SC..EExtended strand (participates in β ladder)trans-64.3136.6173.3-168.40000110.4V525 Y535V525-C531 WeakPolarHBondContact O-CA 3.21Å; V525-C531 PolarHBondContact O-SG 2.87Å; C531-Y535 WeakPolarHBondContact O-CE1 3.19Å
532V92.4Very high89.4Confident1 Ų141.7 Ų41.71%0.00623%0.227CC..  trans-123.412.6-179.2-60.30000113.3I524 V525 V527 G534 Y535 V540 I543I524-V532 HydrophobicContact CB-CG2 4.37Å; I524-V532 HydrophobicContact CG2-CG2 3.75Å; V525-V532 PolarHBondContact O-N 2.87Å; V527-V532 HydrophobicContact CB-CG1 4.38Å; V527-V532 HydrophobicContact CG2-CG1 4.02Å; V527-V532 HydrophobicContact CG2-CG2 4.11Å; V532-G534 PolarHBondContact O-N 2.73Å; V532-Y535 HydrophobicContact CB-CD1 4.49Å; V532-Y535 HydrophobicContact CB-CD2 4.2Å; V532-Y535 HydrophobicContact CB-CG 4.08Å; V532-Y535 HydrophobicContact CG1-CD2 4Å; V532-Y535 HydrophobicContact CG1-CE2 4.21Å; V532-Y535 HydrophobicContact CG1-CG 4.38Å; V532-Y535 WeakPolarHBondContact O-CB 3.33Å; V532-Y535 PolarHBondContact O-N 2.95Å; V532-Y535 VanDerWaalsContact O-N 3.09Å; V532-V540 HydrophobicContact CB-CG2 3.7Å; V532-V540 HydrophobicContact CG1-CG2 3.97Å; V532-V540 HydrophobicContact CG2-CG2 4.2Å; V532-I543 HydrophobicContact CG1-CD1 3.98Å
533L89.6Confident89.2Confident12 Ų1243.6 Ų43.66%0.06324%0.236CC..THydrogen-bonded Turntrans-63.3121.2172.1-61.3176.5000109.7R468 L471 F500 V523 V525 Y535R468-L533 HydrophobicContact CB-CD1 4.46Å; L471-L533 HydrophobicContact CD1-CD1 3.88Å; L471-L533 HydrophobicContact CD1-CD2 4.22Å; L471-L533 HydrophobicContact CG-CD1 4.35Å; F500-L533 HydrophobicContact CD1-CD2 4.2Å; F500-L533 HydrophobicContact CE1-CD2 4.24Å; V523-L533 HydrophobicContact CG1-CD2 4.09Å; V525-L533 HydrophobicContact CG1-CD1 4.23Å; V525-L533 HydrophobicContact CG1-CG 4.3Å; V525-L533 HydrophobicContact CG2-CD2 4.43Å; L533-Y535 VanDerWaalsContact C-N 3.31Å
534G82.9Confident89.1Confident13 Ų1344.6 Ų44.613%0.13424%0.241CC..THydrogen-bonded Turntrans77.813.1-176.200000114.9P497 V532P497-G534 WeakPolarHBondContact O-CA 3.48Å; V532-G534 PolarHBondContact O-N 2.73Å
535Y90.5Very high88.8Confident84 Ų8450.8 Ų50.833%0.32927%0.27SS..  trans-80.3141.9162.5-76.835.7000108.6L501 C531 V532 L533 Q539 V540 I543L501-Y535 VanDerWaalsContact CD1-O 3.25Å; L501-Y535 WeakPolarHBondContact CD1-O 3.18Å; C531-Y535 WeakPolarHBondContact O-CE1 3.19Å; V532-Y535 HydrophobicContact CB-CD1 4.49Å; V532-Y535 HydrophobicContact CB-CD2 4.2Å; V532-Y535 HydrophobicContact CB-CG 4.08Å; V532-Y535 HydrophobicContact CG1-CD2 4Å; V532-Y535 HydrophobicContact CG1-CE2 4.21Å; V532-Y535 HydrophobicContact CG1-CG 4.38Å; V532-Y535 WeakPolarHBondContact O-CB 3.33Å; V532-Y535 PolarHBondContact O-N 2.95Å; V532-Y535 VanDerWaalsContact O-N 3.09Å; L533-Y535 VanDerWaalsContact C-N 3.31Å; Y535-Q539 VanDerWaalsContact CA-OE1 3.25Å; Y535-Q539 HydrophobicContact CD2-CB 4.07Å; Y535-Q539 HydrophobicContact CG-CB 4.5Å; Y535-V540 HydrophobicContact CD2-CG2 4.17Å; Y535-V540 HydrophobicContact CG-CG2 4.33Å; Y535-I543 HydrophobicContact CD2-CD1 3.99Å; Y535-I543 HydrophobicContact CE2-CD1 3.87Å
536T88.7Confident88.5Confident38 Ų3855.2 Ų55.223%0.23330%0.3CS..  trans-72.6159.1174.465.90000111.6G494 P497 A538 Q539 V540G494-T536 CarbonylContact O-C 3.59Å; G494-T536 WeakPolarHBondContact O-CA 3.31Å; G494-T536 WeakPolarHBondContact O-CB 3.44Å; P497-T536 HydrophobicContact CB-CG2 4.35Å; T536-A538 PolarHBondContact O-N 2.93Å; T536-A538 VanDerWaalsContact O-N 3.17Å; T536-Q539 WeakPolarHBondContact O-CA 3.45Å; T536-Q539 WeakPolarHBondContact O-CB 3.44Å; T536-Q539 PolarHBondContact O-N 3.07Å; T536-V540 PolarHBondContact O-N 3.47Å; T536-V540 VanDerWaalsContact O-N 3.09Å
537H85Confident88.3Confident63 Ų6355.5 Ų55.529%0.29230%0.301SS..Hα-helixtrans-50.4-43.1176.6-164.9107.8000111.8V491 G493 G494 L501 Q539 V540 V541V491-H537 PolarHBondContact O-CE1 2.61Å; G493-H537 PolarHBondContact O-ND1 2.81Å; G494-H537 PolarHBondContact O-N 2.95Å; L501-H537 HydrophobicContact CD2-CB 4.15Å; H537-Q539 VanDerWaalsContact C-N 3.33Å; H537-Q539 PolarHBondContact O-N 3.04Å; H537-V540 PolarHBondContact O-N 2.89Å; H537-V541 VanDerWaalsContact O-CB 3.31Å; H537-V541 WeakPolarHBondContact O-CB 3.35Å; H537-V541 VanDerWaalsContact O-CG2 3.25Å; H537-V541 WeakPolarHBondContact O-CG2 3.48Å; H537-V541 PolarHBondContact O-N 2.64Å
538A85.2Confident88.1Confident57 Ų5759.4 Ų59.447%0.47133%0.327SS..Hα-helixtrans-66.1-29.6177.700000113.8T536 K542T536-A538 PolarHBondContact O-N 2.93Å; T536-A538 VanDerWaalsContact O-N 3.17Å; A538-K542 WeakPolarHBondContact O-CD 3.4Å; A538-K542 VanDerWaalsContact O-CG 3.26Å; A538-K542 WeakPolarHBondContact O-CG 3.37Å; A538-K542 PolarHBondContact O-N 3.29Å
539Q87.7Confident88.2Confident91 Ų9161.2 Ų61.243%0.42534%0.335SS..Hα-helixtrans-74.2-47.6175-71168.3-2900110.9Y535 T536 H537 V541 K542 I543Y535-Q539 VanDerWaalsContact CA-OE1 3.25Å; Y535-Q539 HydrophobicContact CD2-CB 4.07Å; Y535-Q539 HydrophobicContact CG-CB 4.5Å; T536-Q539 WeakPolarHBondContact O-CA 3.45Å; T536-Q539 WeakPolarHBondContact O-CB 3.44Å; T536-Q539 PolarHBondContact O-N 3.07Å; H537-Q539 VanDerWaalsContact C-N 3.33Å; H537-Q539 PolarHBondContact O-N 3.04Å; Q539-V541 PolarHBondContact O-N 2.96Å; Q539-K542 WeakPolarHBondContact O-CB 3.28Å; Q539-K542 PolarHBondContact O-N 3.48Å; Q539-K542 VanDerWaalsContact O-N 3.15Å; Q539-I543 PolarHBondContact O-N 3Å
540V86.5Confident88.2Confident3 Ų357 Ų572%0.01832%0.322CS..Hα-helixtrans-69.9-33.8-179.8173.30000112.4L501 V532 Y535 T536 H537 K542 I543 F544L501-V540 HydrophobicContact CD1-CB 3.76Å; L501-V540 HydrophobicContact CD1-CG1 4.24Å; L501-V540 HydrophobicContact CD1-CG2 3.35Å; V532-V540 HydrophobicContact CB-CG2 3.7Å; V532-V540 HydrophobicContact CG1-CG2 3.97Å; V532-V540 HydrophobicContact CG2-CG2 4.2Å; Y535-V540 HydrophobicContact CD2-CG2 4.17Å; Y535-V540 HydrophobicContact CG-CG2 4.33Å; T536-V540 PolarHBondContact O-N 3.47Å; T536-V540 VanDerWaalsContact O-N 3.09Å; H537-V540 PolarHBondContact O-N 2.89Å; V540-K542 VanDerWaalsContact C-N 3.32Å; V540-K542 PolarHBondContact O-N 2.95Å; V540-I543 PolarHBondContact O-N 2.94Å; V540-F544 HydrophobicContact CG1-CD2 3.62Å; V540-F544 HydrophobicContact CG1-CE2 3.43Å; V540-F544 VanDerWaalsContact CG1-CE2 3.43Å; V540-F544 WeakPolarHBondContact O-CD2 3.17Å; V540-F544 PolarHBondContact O-N 2.79Å
541V87.5Confident88.3Confident49 Ų4956 Ų5630%0.29732%0.317SS..Hα-helixtrans-60.5-38.9169.7166.30000111.8H537 Q539 I543 F544 Q545H537-V541 VanDerWaalsContact O-CB 3.31Å; H537-V541 WeakPolarHBondContact O-CB 3.35Å; H537-V541 VanDerWaalsContact O-CG2 3.25Å; H537-V541 WeakPolarHBondContact O-CG2 3.48Å; H537-V541 PolarHBondContact O-N 2.64Å; Q539-V541 PolarHBondContact O-N 2.96Å; V541-I543 PolarHBondContact O-N 2.9Å; V541-F544 PolarHBondContact O-N 2.82Å; V541-Q545 HydrophobicContact CG1-CG 4.23Å; V541-Q545 VanDerWaalsContact CG1-NE2 3.32Å; V541-Q545 WeakPolarHBondContact O-CB 3.2Å; V541-Q545 WeakPolarHBondContact O-CG 3.11Å; V541-Q545 PolarHBondContact O-N 2.97Å
542K87Confident88.3Confident138 Ų13858.8 Ų58.860%0.633%0.326SS*.Hα-helixtrans-63.2-39.8174.6-73.3165.4-175.9173.90112.1A538 Q539 V540 Q545 S546A538-K542 WeakPolarHBondContact O-CD 3.4Å; A538-K542 VanDerWaalsContact O-CG 3.26Å; A538-K542 WeakPolarHBondContact O-CG 3.37Å; A538-K542 PolarHBondContact O-N 3.29Å; Q539-K542 WeakPolarHBondContact O-CB 3.28Å; Q539-K542 PolarHBondContact O-N 3.48Å; Q539-K542 VanDerWaalsContact O-N 3.15Å; V540-K542 VanDerWaalsContact C-N 3.32Å; V540-K542 PolarHBondContact O-N 2.95Å; K542-Q545 PolarHBondContact O-N 3.03Å; K542-S546 PolarHBondContact O-N 2.99Å
543I90.4Very high88.4Confident40 Ų4058.8 Ų58.821%0.20533%0.326CS..Hα-helixtrans-63.4-47.1174.8-60.1170000110.4V527 V532 Y535 Q539 V540 V541 Q545 S546 I547V527-I543 HydrophobicContact CB-CG2 4.16Å; V527-I543 HydrophobicContact CG1-CG2 3.64Å; V532-I543 HydrophobicContact CG1-CD1 3.98Å; Y535-I543 HydrophobicContact CD2-CD1 3.99Å; Y535-I543 HydrophobicContact CE2-CD1 3.87Å; Q539-I543 PolarHBondContact O-N 3Å; V540-I543 PolarHBondContact O-N 2.94Å; V541-I543 PolarHBondContact O-N 2.9Å; I543-Q545 VanDerWaalsContact C-N 3.28Å; I543-Q545 PolarHBondContact O-N 2.71Å; I543-S546 PolarHBondContact O-N 2.74Å; I543-S546 PolarHBondContact O-OG 3.39Å; I543-S546 VanDerWaalsContact O-OG 3.04Å; I543-I547 WeakPolarHBondContact O-CG1 3.25Å
544F91.1Very high88.5Confident22 Ų2259.3 Ų59.310%0.09633%0.329CS..Hα-helixtrans-66.1-28.4176.3-78.3-59000113.5K482 F487 F489 I524 V527 V540 V541 I547 L555K482-F544 PolarHBondContact NZ-O 2.8Å; F487-F544 AromaticContact CD2-CD1 3.67Å; F487-F544 HydrophobicContact CD2-CD1 3.67Å; F487-F544 HydrophobicContact CD2-CE1 4.23Å; F487-F544 HydrophobicContact CD2-CG 4.43Å; F487-F544 HydrophobicContact CE2-CB 4.27Å; F487-F544 AromaticContact CE2-CD1 3.49Å; F487-F544 HydrophobicContact CE2-CD1 3.49Å; F487-F544 VanDerWaalsContact CE2-CD1 3.49Å; F487-F544 HydrophobicContact CE2-CE1 4.28Å; F487-F544 HydrophobicContact CE2-CG 4.32Å; F487-F544 HydrophobicContact CZ-CD1 4.27Å; F489-F544 HydrophobicContact CE2-CE2 4.38Å; F489-F544 HydrophobicContact CE2-CZ 4.3Å; F489-F544 AromaticContact CZ-CE1 3.91Å; F489-F544 HydrophobicContact CZ-CE1 3.91Å; F489-F544 HydrophobicContact CZ-CE2 4.12Å; F489-F544 AromaticContact CZ-CZ 3.63Å; F489-F544 HydrophobicContact CZ-CZ 3.63Å; I524-F544 HydrophobicContact CD1-CE2 4.22Å; V527-F544 HydrophobicContact CG1-CE1 4.19Å; V527-F544 HydrophobicContact CG1-CZ 4.4Å; V527-F544 HydrophobicContact CG2-CE2 4.39Å; V527-F544 HydrophobicContact CG2-CZ 3.99Å; V540-F544 HydrophobicContact CG1-CD2 3.62Å; V540-F544 HydrophobicContact CG1-CE2 3.43Å; V540-F544 VanDerWaalsContact CG1-CE2 3.43Å; V540-F544 WeakPolarHBondContact O-CD2 3.17Å; V540-F544 PolarHBondContact O-N 2.79Å; V541-F544 PolarHBondContact O-N 2.82Å; F544-I547 HydrophobicContact CD1-CD1 4.46Å; F544-L555 HydrophobicContact CE1-CD1 4.07Å; F544-L555 HydrophobicContact CE1-CD2 3.66Å; F544-L555 HydrophobicContact CE1-CG 4.45Å; F544-L555 HydrophobicContact CZ-CD1 4.26Å; F544-L555 HydrophobicContact CZ-CD2 3.64Å
545Q87.1Confident89.1Confident132 Ų13258.8 Ų58.862%0.61732%0.323SS*.Hα-helixtrans-72.6-43.8175.2-77.8175300112.4K482 V541 K542 I543 I547K482-Q545 PolarHBondContact NZ-O 3.49Å; V541-Q545 HydrophobicContact CG1-CG 4.23Å; V541-Q545 VanDerWaalsContact CG1-NE2 3.32Å; V541-Q545 WeakPolarHBondContact O-CB 3.2Å; V541-Q545 WeakPolarHBondContact O-CG 3.11Å; V541-Q545 PolarHBondContact O-N 2.97Å; K542-Q545 PolarHBondContact O-N 3.03Å; I543-Q545 VanDerWaalsContact C-N 3.28Å; I543-Q545 PolarHBondContact O-N 2.71Å; Q545-I547 VanDerWaalsContact C-N 3.33Å; Q545-I547 PolarHBondContact O-N 2.79Å
546S88Confident89.3Confident92 Ų9256.2 Ų56.264%0.64331%0.314SS*.Hα-helixtrans-65.4-30.4-17569.30000114.2K542 I543 P548K542-S546 PolarHBondContact O-N 2.99Å; I543-S546 PolarHBondContact O-N 2.74Å; I543-S546 PolarHBondContact O-OG 3.39Å; I543-S546 VanDerWaalsContact O-OG 3.04Å; S546-P548 WeakPolarHBondContact O-CD 3.45Å
547I89.9Confident89.6Confident13 Ų1354.4 Ų54.47%0.06730%0.302CS..SBendtrans-59.2125.4176.3-62.8162000110K482 F487 V527 I543 F544 Q545 V553K482-I547 HydrophobicContact CD-CB 4.34Å; K482-I547 HydrophobicContact CD-CG2 4.25Å; K482-I547 WeakPolarHBondContact CD-O 3.29Å; K482-I547 WeakPolarHBondContact CE-O 3.4Å; K482-I547 PolarHBondContact NZ-O 2.75Å; F487-I547 HydrophobicContact CZ-CB 4.27Å; F487-I547 HydrophobicContact CZ-CD1 4.07Å; F487-I547 HydrophobicContact CZ-CG2 4Å; V527-I547 HydrophobicContact CG1-CD1 4.4Å; I543-I547 WeakPolarHBondContact O-CG1 3.25Å; F544-I547 HydrophobicContact CD1-CD1 4.46Å; Q545-I547 VanDerWaalsContact C-N 3.33Å; Q545-I547 PolarHBondContact O-N 2.79Å; I547-V553 HydrophobicContact CD1-CB 4.01Å; I547-V553 HydrophobicContact CD1-CG2 3.61Å
548P88.3Confident90Very high83 Ų8351.4 Ų51.454%0.53929%0.289SS..PPolyproline II helixtrans-65.8151.9-179.3-24.634.4000114.4S546 G550 S551S546-P548 WeakPolarHBondContact O-CD 3.45Å; P548-G550 PolarHBondContact O-N 3.42Å; P548-S551 VanDerWaalsContact O-CB 3.31Å; P548-S551 WeakPolarHBondContact O-CB 3.36Å; P548-S551 PolarHBondContact O-N 2.94Å; P548-S551 VanDerWaalsContact O-N 3.15Å; P548-S551 PolarHBondContact O-OG 2.86Å
549I90.6Very high90.3Very high108 Ų10851.6 Ų51.655%0.55428%0.277SS*.THydrogen-bonded Turntrans-66127.8174.2-62.7170.8000109.2K482 R484K482-I549 HydrophobicContact CD-CG1 4.46Å; R484-I549 HydrophobicContact CG-CG2 4.07Å
550G85.4Confident89.9Confident37 Ų3750.4 Ų50.438%0.38129%0.289SS..THydrogen-bonded Turntrans96.6-14.5-174.700000114.4K481 K482 P548K481-G550 WeakPolarHBondContact CE-O 3.44Å; K482-G550 PolarHBondContact O-N 3.05Å; P548-G550 PolarHBondContact O-N 3.42Å
551S90.5Very high89.8Confident43 Ų4352.2 Ų52.230%0.30130%0.296SS..  trans-70.6155.5171.9-61.20000111.9K481 K482 P548K481-S551 WeakPolarHBondContact CA-O 3.32Å; K482-S551 PolarHBondContact N-O 2.75Å; P548-S551 VanDerWaalsContact O-CB 3.31Å; P548-S551 WeakPolarHBondContact O-CB 3.36Å; P548-S551 PolarHBondContact O-N 2.94Å; P548-S551 VanDerWaalsContact O-N 3.15Å; P548-S551 PolarHBondContact O-OG 2.86Å
552M90.3Very high89Confident116 Ų11654.9 Ų54.957%0.57131%0.314SS*.EExtended strand (participates in β ladder)trans-86.2150.5165.6-62.8-59.4-164.800110.3L480 K481L480-M552 CarbonylContact O-C 3.59Å; L480-M552 VanDerWaalsContact O-CA 3.31Å; L480-M552 WeakPolarHBondContact O-CA 3.44Å; K481-M552 HydrophobicContact CB-CE 4.24Å; K481-M552 HydrophobicContact CB-SD 3.56Å; K481-M552 VanDerWaalsContact CB-SD 3.56Å; K481-M552 HydrophobicContact CD-CE 4.22Å; K481-M552 HydrophobicContact CD-SD 4.35Å; K481-M552 HydrophobicContact CG-CE 4.37Å; K481-M552 HydrophobicContact CG-SD 3.85Å
553V93.4Very high88.4Confident1 Ų150.8 Ų50.81%0.00630%0.299CS..EExtended strand (participates in β ladder)trans-123.2135.7166.864.20000108.9K479 L480 F487 V527 N528 I547 L555K479-V553 CarbonylContact C-O 3.51Å; K479-V553 VanDerWaalsContact CA-O 3.26Å; K479-V553 WeakPolarHBondContact CA-O 3.32Å; L480-V553 HydrophobicContact CB-CG1 3.95Å; L480-V553 PolarHBondContact N-O 3.29Å; L480-V553 PolarHBondContact O-N 2.76Å; F487-V553 HydrophobicContact CD1-CG1 3.72Å; F487-V553 HydrophobicContact CE1-CB 3.98Å; F487-V553 HydrophobicContact CE1-CG1 3.26Å; F487-V553 HydrophobicContact CZ-CB 4.23Å; F487-V553 HydrophobicContact CZ-CG1 3.86Å; V527-V553 HydrophobicContact CG1-CG2 3.73Å; N528-V553 WeakPolarHBondContact OD1-CA 3.44Å; N528-V553 WeakPolarHBondContact OD1-CG2 3.47Å; I547-V553 HydrophobicContact CD1-CB 4.01Å; I547-V553 HydrophobicContact CD1-CG2 3.61Å; V553-L555 HydrophobicContact CG1-CD1 4.03Å; V553-L555 HydrophobicContact CG1-CD2 4.43Å; V553-L555 HydrophobicContact CG1-CG 3.92Å; V553-L555 HydrophobicContact CG2-CD2 3.82Å; V553-L555 HydrophobicContact CG2-CG 4.07Å
554N92.8Very high87.1Confident23 Ų2350.9 Ų50.912%0.12330%0.302CS..EExtended strand (participates in β ladder)trans-84.9125166.5-164.357.7000107.5N477 K479 N528 D529N477-N554 PolarHBondContact ND2-OD1 2.71Å; N477-N554 VanDerWaalsContact ND2-OD1 3.12Å; N477-N554 PolarHBondContact OD1-OD1 2.84Å; K479-N554 WeakPolarHBondContact CE-OD1 3.47Å; N528-N554 PolarHBondContact N-O 3.47Å; N528-N554 PolarHBondContact OD1-N 3.2Å; D529-N554 PolarHBondContact OD1-ND2 2.77Å
555L95.9Very high85.1Confident1 Ų157.5 Ų57.51%0.00533%0.331CS..EExtended strand (participates in β ladder)trans-127.1121.3179.9-67.6177.4000110.4N477 T478 L480 F489 V527 F544 V553N477-L555 WeakPolarHBondContact CA-O 3.18Å; N477-L555 PolarHBondContact OD1-O 2.9Å; T478-L555 HydrophobicContact CG2-CB 3.83Å; T478-L555 PolarHBondContact N-O 3.43Å; T478-L555 PolarHBondContact O-N 2.77Å; L480-L555 HydrophobicContact CD1-CD1 3.79Å; L480-L555 HydrophobicContact CG-CD1 4.22Å; F489-L555 HydrophobicContact CE1-CD1 4Å; F489-L555 HydrophobicContact CZ-CD1 4.14Å; V527-L555 HydrophobicContact CB-CD2 4.07Å; V527-L555 HydrophobicContact CG1-CD2 3.81Å; V527-L555 HydrophobicContact CG2-CD2 3.73Å; F544-L555 HydrophobicContact CE1-CD1 4.07Å; F544-L555 HydrophobicContact CE1-CD2 3.66Å; F544-L555 HydrophobicContact CE1-CG 4.45Å; F544-L555 HydrophobicContact CZ-CD1 4.26Å; F544-L555 HydrophobicContact CZ-CD2 3.64Å; V553-L555 HydrophobicContact CG1-CD1 4.03Å; V553-L555 HydrophobicContact CG1-CD2 4.43Å; V553-L555 HydrophobicContact CG1-CG 3.92Å; V553-L555 HydrophobicContact CG2-CD2 3.82Å; V553-L555 HydrophobicContact CG2-CG 4.07Å
556E94.4Very high83.4Confident30 Ų3053.1 Ų53.114%0.1431%0.312CS..EExtended strand (participates in β ladder)trans-105.7130176.5-163.7171.4-126.800109.6R468 F475 I476 V525 S526R468-E556 IonicContact CZ-OE1 2.76Å; R468-E556 IonicContact CZ-OE2 3.76Å; R468-E556 VanDerWaalsContact CZ-OE2 3.3Å; R468-E556 IonicContact NH1-OE1 3.6Å; R468-E556 PolarHBondContact NH1-OE1 3Å; R468-E556 IonicContact NH1-OE2 3.84Å; R468-E556 PolarHBondContact NH1-OE2 2.61Å; R468-E556 VanDerWaalsContact NH2-CD 3.27Å; R468-E556 IonicContact NH2-OE1 2.75Å; R468-E556 PolarHBondContact NH2-OE1 3.33Å; R468-E556 IonicContact NH2-OE2 3.53Å; F475-E556 HydrophobicContact CD1-CG 4.38Å; I476-E556 WeakPolarHBondContact O-CA 3.33Å; V525-E556 WeakPolarHBondContact CA-O 3.5Å; V525-E556 WeakPolarHBondContact CB-O 3.48Å; V525-E556 PolarHBondContact N-O 3.03Å; S526-E556 PolarHBondContact N-O 2.8Å; S526-E556 PolarHBondContact O-N 2.89Å; S526-E556 WeakPolarHBondContact OG-CB 3.28Å; S526-E556 PolarHBondContact OG-OE2 2.8Å
557L94.7Very high81.4Confident0 Ų053.6 Ų53.60%031%0.313CS..EExtended strand (participates in β ladder)trans-128.8156.1-171-51.3173.6000110F475 I476 T478 M518 D522 V523 I524F475-L557 CarbonylContact C-O 3.56Å; F475-L557 WeakPolarHBondContact CA-O 3.5Å; I476-L557 HydrophobicContact CB-CB 4.41Å; I476-L557 PolarHBondContact N-O 2.74Å; I476-L557 PolarHBondContact O-N 2.6Å; T478-L557 HydrophobicContact CG2-CD1 4.38Å; M518-L557 HydrophobicContact CB-CD1 4.36Å; M518-L557 HydrophobicContact CE-CD1 3.87Å; M518-L557 HydrophobicContact CG-CD1 3.65Å; M518-L557 HydrophobicContact SD-CD1 4.22Å; D522-L557 HydrophobicContact CB-CB 4.29Å; D522-L557 HydrophobicContact CB-CD1 4.31Å; V523-L557 CarbonylContact O-C 3.47Å; V523-L557 WeakPolarHBondContact O-CA 3.29Å; I524-L557 HydrophobicContact CB-CD2 4.31Å; I524-L557 HydrophobicContact CG1-CD2 4.07Å; I524-L557 HydrophobicContact CG2-CD2 4.35Å
558C93.4Very high79.2Confident0 Ų059.9 Ų59.90%035%0.347CS..EExtended strand (participates in β ladder)trans-125.8118.7173.4-166.30000110.6L471 G473 T474 F475 V523 V525 Y561L471-C558 HydrophobicContact CD1-CB 4Å; G473-C558 WeakPolarHBondContact CA-SG 3.44Å; T474-C558 WeakPolarHBondContact O-CA 3.18Å; F475-C558 HydrophobicContact CE1-CB 4.41Å; V523-C558 HydrophobicContact CB-CB 4.34Å; V523-C558 PolarHBondContact N-O 2.71Å; V523-C558 PolarHBondContact O-N 2.81Å; V525-C558 HydrophobicContact CG2-CB 3.65Å; C558-Y561 HydrophobicContact CB-CE2 4.48Å
559R90.9Very high77.3Confident62 Ų6257 Ų5723%0.23433%0.326CS..EExtended strand (participates in β ladder)trans-94.8140.8-179.9-173.4167.2-62.8166.34.3111.4G473 T474 I476 K517 E519 D522G473-R559 CarbonylContact C-O 3.53Å; G473-R559 WeakPolarHBondContact CA-O 3.45Å; T474-R559 PolarHBondContact N-O 2.91Å; T474-R559 PolarHBondContact O-N 3.04Å; I476-R559 HydrophobicContact CD1-CB 4.02Å; I476-R559 VanDerWaalsContact CD1-NH2 3.25Å; K517-R559 PolarHBondContact O-NH2 2.89Å; E519-R559 IonicContact OE1-CZ 3.85Å; E519-R559 IonicContact OE1-NH1 2.92Å; E519-R559 PolarHBondContact OE1-NH1 3.17Å; E519-R559 IonicContact OE1-NH2 3.17Å; E519-R559 IonicContact OE2-CZ 2.72Å; E519-R559 VanDerWaalsContact OE2-CZ 3.23Å; E519-R559 IonicContact OE2-NE 2.75Å; E519-R559 IonicContact OE2-NH1 3.29Å; E519-R559 PolarHBondContact OE2-NH1 3.18Å; E519-R559 IonicContact OE2-NH2 3.46Å; D522-R559 VanDerWaalsContact OD1-CB 3.27Å; D522-R559 WeakPolarHBondContact OD1-CB 3.43Å; D522-R559 WeakPolarHBondContact OD1-CG 3.4Å; D522-R559 IonicContact OD1-CZ 3.56Å; D522-R559 IonicContact OD1-NE 2.79Å; D522-R559 PolarHBondContact OD1-NE 2.9Å; D522-R559 IonicContact OD1-NH2 2.7Å; D522-R559 PolarHBondContact OD1-NH2 2.93Å; D522-R559 IonicContact OD2-CZ 2.84Å; D522-R559 IonicContact OD2-NE 2.68Å; D522-R559 IonicContact OD2-NH2 2.66Å; D522-R559 PolarHBondContact OD2-NH2 2.77Å
560G80.8Confident75.2Confident66 Ų6656.8 Ų56.868%0.6833%0.332SS*.  trans129-7.7177.500000114.2
561Y83.3Confident73.1Confident41 Ų4160.1 Ų60.116%0.16134%0.341CS..PPolyproline II helixtrans-87134.6173.6-65.3-90.2000110.2L471 N472 F500 Q502 V523 C558L471-Y561 VanDerWaalsContact CA-OH 3.28Å; L471-Y561 WeakPolarHBondContact CA-OH 3.45Å; L471-Y561 HydrophobicContact CD2-CE2 4.23Å; L471-Y561 WeakPolarHBondContact CD2-OH 3.3Å; N472-Y561 PolarHBondContact N-OH 3.22Å; N472-Y561 VanDerWaalsContact N-OH 3.11Å; F500-Y561 HydrophobicContact CD2-CD1 4.04Å; F500-Y561 HydrophobicContact CD2-CE1 4.29Å; F500-Y561 AromaticContact CE2-CD1 3.8Å; F500-Y561 HydrophobicContact CE2-CD1 3.8Å; F500-Y561 AromaticContact CE2-CE1 3.6Å; F500-Y561 HydrophobicContact CE2-CE1 3.6Å; F500-Y561 HydrophobicContact CZ-CE1 4.06Å; Q502-Y561 PolarHBondContact NE2-O 2.92Å; V523-Y561 HydrophobicContact CB-CD2 4.44Å; V523-Y561 HydrophobicContact CG2-CD2 3.47Å; V523-Y561 VanDerWaalsContact CG2-CD2 3.47Å; V523-Y561 HydrophobicContact CG2-CE2 4.31Å; V523-Y561 HydrophobicContact CG2-CG 3.63Å; C558-Y561 HydrophobicContact CB-CE2 4.48Å
562P71.8Confident71.1Confident104 Ų10460 Ų6068%0.67534%0.339SS*.PPolyproline II helixtrans-65.9144.717229.8-34.2000109.6Q502Q502-P562 PolarHBondContact NE2-O 3.1Å; Q502-P562 PolarHBondContact OE1-O 2.94Å
563L74.1Confident68.5Low53 Ų5358.7 Ų58.728%0.27734%0.341SS..PPolyproline II helixtrans-66.5135.3170.8-162.777.8000109.1V492 Q502 I503 T520V492-L563 HydrophobicContact CG1-CD1 3.57Å; V492-L563 HydrophobicContact CG1-CG 4.05Å; Q502-L563 HydrophobicContact CB-CD1 3.94Å; I503-L563 WeakPolarHBondContact O-CD1 3.47Å; T520-L563 HydrophobicContact CG2-CD1 4.3Å; T520-L563 HydrophobicContact CG2-CD2 3.87Å
564P63.5Low65.7Low41 Ų4164.8 Ų64.827%0.26637%0.373SS..PPolyproline II helixtrans-58.5143.3171.424-34.2000110.5V492 Q502 D566V492-P564 HydrophobicContact CG1-CG 3.87Å; V492-P564 HydrophobicContact CG2-CG 4.18Å; Q502-P564 VanDerWaalsContact OE1-CD 3.3Å; P564-D566 PolarHBondContact O-N 3.3Å
565F49Very low62.8Low161 Ų16169.8 Ų69.871%0.70640%0.404SS*.  trans-76.197.2-178.2-177.1-94.6000110.3P567 T572F565-P567 HydrophobicContact CE1-CB 4.01Å; F565-P567 WeakPolarHBondContact O-CD 3.18Å; F565-T572 HydrophobicContact CD2-CG2 4.16Å; F565-T572 HydrophobicContact CE2-CG2 4.06Å
566D51.4Low59.6Low41 Ų4175.2 Ų75.222%0.21944%0.437CS..  trans-81.3111.8170.1-173.7-32.7000109.5K504 P564 D568 D569K504-D566 IonicContact NZ-OD2 2.68Å; K504-D566 PolarHBondContact NZ-OD2 2.99Å; P564-D566 PolarHBondContact O-N 3.3Å; D566-D568 VanDerWaalsContact C-N 3.27Å; D566-D568 PolarHBondContact O-N 3.36Å; D566-D568 WeakPolarHBondContact OD1-CA 3.07Å; D566-D568 PolarHBondContact OD1-N 2.91Å; D566-D569 HydrophobicContact CB-CB 4.44Å; D566-D569 PolarHBondContact OD1-N 3.33Å
567P45.9Very low56.4Low101 Ų10177.7 Ų77.766%0.65646%0.458SS*.THydrogen-bonded Turntrans-74.2-14.9-178.332.3-36.2000113.6F565F565-P567 HydrophobicContact CE1-CB 4.01Å; F565-P567 WeakPolarHBondContact O-CD 3.18Å
568D43.6Very low53.3Low146 Ų14684.1 Ų84.178%0.78150%0.497SS*.THydrogen-bonded Turntrans-98.8-1.6-176.4-71.4-49000112.8D566 P570D566-D568 VanDerWaalsContact C-N 3.27Å; D566-D568 PolarHBondContact O-N 3.36Å; D566-D568 WeakPolarHBondContact OD1-CA 3.07Å; D566-D568 PolarHBondContact OD1-N 2.91Å; D568-P570 WeakPolarHBondContact O-CD 3.13Å
569D47.2Very low50.2Low22 Ų2287.7 Ų87.712%0.11853%0.526CS..  trans-88.1111.3170.7-167.8-14.3000112.6K504 D566 N571 T572K504-D569 WeakPolarHBondContact CE-OD2 3.27Å; K504-D569 IonicContact NZ-OD2 3.85Å; D566-D569 HydrophobicContact CB-CB 4.44Å; D566-D569 PolarHBondContact OD1-N 3.33Å; D569-N571 PolarHBondContact O-N 2.95Å; D569-N571 VanDerWaalsContact O-N 3.14Å; D569-N571 WeakPolarHBondContact OD1-CB 3.48Å; D569-N571 PolarHBondContact OD1-N 2.84Å; D569-N571 PolarHBondContact OD1-ND2 2.99Å; D569-T572 PolarHBondContact O-N 3.44Å; D569-T572 PolarHBondContact O-OG1 2.78Å
570P47.7Very low47.2Very low103 Ų10392.2 Ų92.267%0.66955%0.553SS**THydrogen-bonded Turntrans-65.3-15.6177.828.3-36.4000114.3D568D568-P570 WeakPolarHBondContact O-CD 3.13Å
571N40.1Very low44.6Very low108 Ų10896.8 Ų96.858%0.57856%0.561SS**THydrogen-bonded Turntrans-75.1-29.3179.1-59.6-77.2000112.4D569 S573 L574D569-N571 PolarHBondContact O-N 2.95Å; D569-N571 VanDerWaalsContact O-N 3.14Å; D569-N571 WeakPolarHBondContact OD1-CB 3.48Å; D569-N571 PolarHBondContact OD1-N 2.84Å; D569-N571 PolarHBondContact OD1-ND2 2.99Å; N571-S573 PolarHBondContact O-N 2.76Å; N571-L574 PolarHBondContact O-N 2.79Å
572T49.1Very low42Very low41 Ų41100.7 Ų100.725%0.25259%0.585SS.*G310 helixtrans-61.8-30.5-179.2-44.80000112.1F565 D569 L574 V575F565-T572 HydrophobicContact CD2-CG2 4.16Å; F565-T572 HydrophobicContact CE2-CG2 4.06Å; D569-T572 PolarHBondContact O-N 3.44Å; D569-T572 PolarHBondContact O-OG1 2.78Å; T572-L574 PolarHBondContact O-N 2.79Å; T572-L574 VanDerWaalsContact O-N 3.17Å; T572-V575 PolarHBondContact O-N 2.97Å
573S35.8Very low39.8Very low87 Ų87104 Ų10461%0.60860%0.597SS**G310 helixtrans-64.9-16.8-178-174.10000115.1N571 S577N571-S573 PolarHBondContact O-N 2.76Å; S573-S577 PolarHBondContact O-OG 2.85Å; S573-S577 VanDerWaalsContact O-OG 3.05Å
574L34.8Very low37.6Very low129 Ų129109.9 Ų109.968%0.67562%0.62SS**G310 helixtrans-87.7-11.9-174.7-82.9163.4000114.4N571 T572N571-L574 PolarHBondContact O-N 2.79Å; T572-L574 PolarHBondContact O-N 2.79Å; T572-L574 VanDerWaalsContact O-N 3.17Å
575V31.8Very low35.9Very low129 Ų129114.4 Ų114.478%0.78264%0.642SS**THydrogen-bonded Turntrans-94.6-23.5-175.1-176.10000112.4T572T572-V575 PolarHBondContact O-N 2.97Å
576T27.5Very low35.2Very low114 Ų114111.7 Ų111.770%0.69964%0.641SS**SBendtrans-94.3-4.7-177.4-28.60000114
577S29.1Very low34.1Very low82 Ų82117 Ų11757%0.57367%0.668SS**SBendtrans-100.49.2-16938.70000115.3S573S573-S577 PolarHBondContact O-OG 2.85Å; S573-S577 VanDerWaalsContact O-OG 3.05Å
578V28.6Very low33.2Very low136 Ų136120.2 Ų120.282%0.82468%0.678SS**SBendtrans-119.514.2178.9-167.20000112.2
579A27.3Very low32.2Very low74 Ų74118.7 Ų118.761%0.61267%0.673SS**SBendtrans-126.6115.1173.500000110.9
580I28.8Very low31.1Very low158 Ų158125.4 Ų125.481%0.8171%0.709SS**  trans69.1102.1170.1-48.1170.8000115.1
581L25.7Very low30.1Very low162 Ų162123.9 Ų123.985%0.84871%0.712SS**  trans-122.5112.2135.3-168.672.2000108
582D28.4Very low29.3Very low123 Ų123127.4 Ų127.466%0.65873%0.725SS**  trans17.2142.2162.2-56.2-26.1000122.7
583N26.1Very low28.1Very low173 Ų173133.9 Ų133.993%0.92575%0.753SS**  -149.1146.4115.1-105.6-32.4000111.2
584K27.9Very low27.5Very low177 Ų177135.8 Ų135.877%0.7776%0.76SS**  trans-112.3132.8179.9-98.5-174.7175.7175.70111.5
585D27.6Very low27.1Very low135 Ų135135.6 Ų135.672%0.72276%0.764SS**  trans59.8162.4141.7-51.6-34.6000120
586P35.7Very low26.8Very low105 Ų105134.5 Ų134.568%0.68276%0.763SS**  cis-129.5156-20.521.31.5000115.5
587I27.7Very low26.7Very low152 Ų152133.7 Ų133.778%0.77976%0.762SS**  trans48.1116.6140-52.1164.3000120
588I26.7Very low26.5Very low169 Ų169140.4 Ų140.487%0.86778%0.776SS**  -162.3159.9116.7-99.5167.5000108.9
589V23.3Very low26.2Very low113 Ų113141 Ų14169%0.68578%0.775SS**  trans-112.5133.9-161.8171.70000114
590N24.4Very low26Very low163 Ų163141.9 Ų141.987%0.87278%0.776SS**  trans65.4148.4160.9-67.3-8.5000121
591G26Very low26.2Very low71 Ų71139.6 Ų139.673%0.73277%0.772SS**  trans108.274.1178.700000111.9
592Q23Very low26.1Very low183 Ų183136.4 Ų136.486%0.85576%0.763SS**  75.2126.870.7-166.5172.9-2800113.2
593E24Very low26Very low177 Ų177135.2 Ų135.283%0.82776%0.764SS**  trans81.6154.5-178.9-50.9-153.8137.500119.4
594V23.8Very low25.9Very low126 Ų126136.2 Ų136.276%0.76476%0.764SS**  trans98.582.6163.2-166.60000118.9
595T25.1Very low25.6Very low125 Ų125131.2 Ų131.277%0.76776%0.762SS**  trans40.9123.4138.463.80000122.2
596S25.7Very low25.5Very low107 Ų107130.1 Ų130.175%0.74877%0.765SS**  trans-65.5132.3139.1-152.40000107.8
597S25.4Very low25Very low97 Ų97133.7 Ų133.768%0.67877%0.773SS**  cis70.1112.441-167.20000114.1
598Y24.6Very low25Very low222 Ų222131.6 Ų131.687%0.87177%0.771SS**  trans-163.5111.1141.7-122.9-74000109.7
599D22.8Very low25Very low150 Ų150129.8 Ų129.880%0.80277%0.768SS**  -162.2168.2128.6-153-5.7000109.8
600S22.5Very low25.1Very low91 Ų91132.1 Ų132.164%0.63678%0.777SS**  trans-95-164.8173.4-54.10000109.3
601P34.9Very low25.2Very low110 Ų110127.8 Ų127.871%0.71477%0.771SS**  cis-139.9-172.1-3.937.2-14.9000116.1
602S23.6Very low26.1Very low95 Ų95130 Ų13066%0.66477%0.772SS**  trans71.9118.9140.463.50000122.7
603S24.3Very low26.3Very low99 Ų99127.2 Ų127.269%0.69277%0.768SS**  69.8111.7120.3-55.50000123
604Q24.6Very low26.4Very low194 Ų194126.3 Ų126.391%0.90777%0.769SS**  68.9120.9127-64.4176.7-2900121
605G23.1Very low26.6Very low72 Ų72124.4 Ų124.474%0.74278%0.775SS**  trans100.7155.4158.100000114.9
606S25Very low26.6Very low111 Ų111122 Ų12278%0.77678%0.775SS**  cis-156.4154.5-2.5-80.40000111.9
607Q24.7Very low27.5Very low181 Ų181122.9 Ų122.985%0.84678%0.778SS**  trans33109.8145.3-61.7177.2-900120.6
608S28.1Very low28.8Very low108 Ų108123.3 Ų123.376%0.75578%0.779SS**  68.5157.1118.4-151.80000122.2
609T25.4Very low29Very low131 Ų131119.6 Ų119.680%0.80477%0.773SS**  trans76.7152.9168.369.70000118.5
610N27.2Very low29.2Very low162 Ų162119.8 Ų119.887%0.86677%0.774SS**  trans-83.7155.1-173.2-55.9-54.3000111.6
611G24.8Very low29.3Very low72 Ų72119.3 Ų119.374%0.74278%0.783SS**  trans-77-150.5168.600000113.1
612P46.1Very low28.9Very low117 Ų117123.9 Ų123.976%0.7679%0.792SS**  cis-129176.52.240.6-25.5000114.2
613T25.8Very low29.6Very low125 Ų125125.1 Ų125.177%0.76780%0.798SS**  167.2146.5124.534.70000113.8
614N27.2Very low29.7Very low157 Ų157131.4 Ų131.484%0.8481%0.806SS**  trans29.1121.6150.1-57-13.1000120.9
615G26.9Very low30.9Very low87 Ų87126.9 Ų126.990%0.89779%0.794SS**  trans-86.8171170.900000114.9
616G26.8Very low31Very low74 Ų74131.2 Ų131.276%0.76379%0.794SS**  trans160.1132.1179.400000111.3
617P44.6Very low31Very low125 Ų125130.5 Ų130.581%0.81279%0.79SS**  trans-112-168.1-176.144.6-37.1000111.9
618P52.5Low32.1Very low107 Ų107127.3 Ų127.370%0.69579%0.785SS**  cis-136.1-169.3-22.221.34.8000114.8
619L28.1Very low32Very low143 Ų143127 Ų12775%0.74978%0.782SS**  trans82.8129.8143.5-82.3161.3000124
620N27.8Very low32.2Very low155 Ų155125.8 Ų125.883%0.82978%0.775SS**  trans64.9130.2144.1-73-7.2000124
621G24.3Very low32.5Very low80 Ų80125.7 Ų125.783%0.82577%0.769SS**  trans16899.2158.800000117
622F26.8Very low32.7Very low207 Ų207128.7 Ų128.791%0.90877%0.773SS**  trans-89.4168.8162.4-89.4-72.8000109.9
623P37.5Very low31.7Very low121 Ų121127.2 Ų127.279%0.78677%0.771SS**  cis-149-174.434.143.4-21.2000120
624R26.3Very low31.8Very low230 Ų230126.1 Ų126.187%0.86877%0.768SS**  trans-62.1-176.2164.5-97.8179.7179.2168.3-0.9114.5
625P49.3Very low31.7Very low99 Ų99124.8 Ų124.864%0.64376%0.761SS**  cis-122.2-161.810.830.7-6.6000113.2
626H26.7Very low31.6Very low163 Ų163126.9 Ų126.976%0.75576%0.757SS**  cis-137.4168.210.7-98.3-56.4000109.2
627S24Very low31.5Very low97 Ų97128.6 Ų128.668%0.67876%0.757SS**  cis92.7140.236.8-49.50000114.8
628P47Very low30.5Very low114 Ų114127.2 Ų127.274%0.7475%0.75SS**  cis-134.1169642.5-26.3000118.4
629S27Very low29.2Very low100 Ų100130 Ų13070%0.69975%0.753SS**  trans63.8152.8148.8-64.90000121.3
630T29.8Very low29Very low106 Ų106131 Ų13165%0.6576%0.759SS**  cis-152.8130.8-2.615.10000107.3
631E32.4Very low28.8Very low161 Ų161127.3 Ų127.375%0.75276%0.758SS**  68.7140.687.2-62.7165.1-125.700113.6
632V29.8Very low28.9Very low135 Ų135134.8 Ų134.882%0.81876%0.763SS**  cis-145.1167.827.4-770000111.2
633A26.1Very low28.8Very low86 Ų86130.2 Ų130.271%0.71176%0.757SS**  cis-172.9156.8-28.100000110.7
634S27.1Very low28.2Very low102 Ų102131.5 Ų131.571%0.71376%0.757SS**  trans28.5151.6132.6-72.60000123.9
635D24.1Very low28.2Very low129 Ų129128.4 Ų128.469%0.6976%0.758SS**  cis-163.3175.93.9-128.7-54000116.6
636T25.7Very low27.2Very low131 Ų131129.4 Ų129.480%0.80476%0.762SS**  trans75.8146.3152.247.90000123.2
637S23.8Very low27.3Very low110 Ų110127.1 Ų127.177%0.76976%0.759SS**  trans-92.2173.6178.257.70000111.5
638S25.6Very low27.9Very low95 Ų95129.4 Ų129.466%0.66477%0.769SS**  cis-178.417647.357.30000114.3
639Q24Very low27.4Very low165 Ų165131.3 Ų131.377%0.77177%0.772SS**  trans80.1114.2156.4-72.4-172.8-8.700122.1
640L24.3Very low27.4Very low164 Ų164131.2 Ų131.286%0.85978%0.777SS**  trans75124134.7-61.6169.7000121.2
641G22.9Very low27.5Very low79 Ų79131 Ų13181%0.81478%0.78SS**  trans121.872146.800000117.6
642Y27Very low27.4Very low237 Ų237129 Ų12993%0.92978%0.783SS**  trans-107.1130161.7-90-79000111
643S24.8Very low27.5Very low111 Ų111130.8 Ų130.878%0.77679%0.787SS**  trans-111.5145.1160.9-172.20000108
644N25.1Very low27.9Very low147 Ų147130.1 Ų130.179%0.78678%0.781SS**  trans-86.7124.9-178.5-79.9-48.8000111.5
645D26.3Very low28.7Very low166 Ų166132.4 Ų132.489%0.88879%0.791SS**  trans-149.483.9161.2-111.9-33.3000109.3
646V27.5Very low29.3Very low120 Ų120134 Ų13473%0.72779%0.794SS**  trans-148133.8177-146.50000105
647V30.1Very low30.9Very low115 Ų115130.2 Ų130.270%0.69777%0.772SS**  cis-133.6119.134.5-167.60000112.9
648T35.5Very low33.5Very low144 Ų144130.8 Ų130.888%0.88376%0.762SS**  trans-134.657.5155.9-58.90000109
649L37.7Very low36.3Very low155 Ų155131.1 Ų131.181%0.81276%0.756SS**  trans-155.674.8173-15671.4000113.2
650A26.7Very low39.3Very low97 Ų97124.7 Ų124.780%0.80273%0.727SS**  trans-13439.4170.200000111.7
651S31.6Very low42.4Very low102 Ų102120.8 Ų120.871%0.71371%0.71SS**  trans-125.3133.9168.2-77.90000109.3
652S31Very low45.5Very low118 Ų118117.1 Ų117.183%0.82567%0.672SS**  trans87.2146.6-170.7-43.30000115
653I30.6Very low48.3Very low174 Ų174110.7 Ų110.789%0.89265%0.65SS**  trans77.4110.7-168.2-50.4173.6000112.3
654A34.8Very low51.3Low71 Ų71105.8 Ų105.859%0.58762%0.615SS**  cis-147.7128-700000113.1Q656A654-Q656 HydrophobicContact CB-CG 4.42Å; A654-Q656 PolarHBondContact O-N 2.81Å
655T43.8Very low54.1Low150 Ų150104 Ų10492%0.9260%0.602SS**  trans-79.588157.552.40000109.3
656Q37.6Very low56.9Low163 Ų16397.1 Ų97.176%0.76256%0.564SS**  trans-134.6146.4168.5-69.1-166.927.600110.5A654A654-Q656 HydrophobicContact CB-CG 4.42Å; A654-Q656 PolarHBondContact O-N 2.81Å
657P59.3Low59.3Low51 Ų5192.1 Ų92.133%0.33154%0.537SS..PPolyproline II helixtrans-75.6131.4171.732.1-33.2000110.3Q738 R739P657-Q738 HydrophobicContact CB-CG 3.68Å; P657-Q738 VanDerWaalsContact CB-NE2 3.28Å; P657-Q738 HydrophobicContact CG-CG 4.45Å; P657-R739 CarbonylContact C-O 3.58Å; P657-R739 WeakPolarHBondContact CA-O 3.31Å
658E78.2Confident61.5Low122 Ų12292.4 Ų92.457%0.5754%0.535SS*.EExtended strand (participates in β ladder)trans-83.4134.2-179-167.9-175.5-177.200110.3I660 Q738 R739E658-I660 HydrophobicContact CB-CG1 4.41Å; E658-I660 HydrophobicContact CG-CD1 4.17Å; E658-I660 HydrophobicContact CG-CG1 3.82Å; E658-Q738 CarbonylContact O-C 3.53Å; E658-Q738 WeakPolarHBondContact O-CA 3.49Å; E658-R739 PolarHBondContact N-O 2.85Å; E658-R739 PolarHBondContact O-N 3.2Å
659L84.6Confident63.4Low103 Ų10395.4 Ų95.454%0.53954%0.536SS..EExtended strand (participates in β ladder)trans-100118.4173.2-73.3173.1000109.8I705 L736 Q738L659-I705 HydrophobicContact CD2-CG1 3.89Å; L659-L736 HydrophobicContact CB-CD1 4.28Å; L659-L736 HydrophobicContact CD2-CD2 4.41Å; L659-L736 HydrophobicContact CD2-CG 4.4Å; L659-Q738 HydrophobicContact CD2-CB 3.89Å; L659-Q738 HydrophobicContact CD2-CG 4.22Å
660I87Confident65.6Low30 Ų3088.9 Ų88.915%0.15451%0.506CS..EExtended strand (participates in β ladder)trans-121.3125.3-169.9-58.2177.9000108.8E658 V662 V737 R739E658-I660 HydrophobicContact CB-CG1 4.41Å; E658-I660 HydrophobicContact CG-CD1 4.17Å; E658-I660 HydrophobicContact CG-CG1 3.82Å; I660-V662 HydrophobicContact CG2-CG2 4.19Å; I660-V737 HydrophobicContact CB-CG2 4.24Å; I660-V737 PolarHBondContact N-O 2.9Å; I660-V737 PolarHBondContact O-N 3.09Å; I660-R739 HydrophobicContact CD1-CB 3.86Å; I660-R739 HydrophobicContact CD1-CG 4.39Å; I660-R739 VanDerWaalsContact CD1-CZ 3.49Å
661T87.8Confident68.4Low81 Ų8185 Ų8550%0.49747%0.471SS..EExtended strand (participates in β ladder)trans-87.1125174-53.10000109.7T734T661-T734 HydrophobicContact CG2-CG2 3.37Å
662V89.4Confident70.9Confident3 Ų380.9 Ų80.92%0.01844%0.444CS..EExtended strand (participates in β ladder)trans-118.2131.3-179.8-171.60000109.4I660 M664 R696 L698 M735 V737I660-V662 HydrophobicContact CG2-CG2 4.19Å; V662-M664 HydrophobicContact CB-CE 4.15Å; V662-M664 HydrophobicContact CG1-CE 3.55Å; V662-R696 WeakPolarHBondContact CG1-O 3.37Å; V662-L698 HydrophobicContact CG1-CB 4.21Å; V662-L698 HydrophobicContact CG2-CD1 4.33Å; V662-M735 PolarHBondContact N-O 3.44Å; V662-M735 PolarHBondContact O-N 3.29Å; V662-V737 HydrophobicContact CG2-CG2 3.93Å
663H84.9Confident73.8Confident101 Ų10176.5 Ų76.547%0.46841%0.41SS..EExtended strand (participates in β ladder)trans-110.1131.6177.8-69.5-112000109.4E732 T734H663-E732 IonicContact CE1-OE1 2.72Å; H663-E732 IonicContact CG-OE1 3.4Å; H663-E732 IonicContact ND1-OE1 3.22Å; H663-E732 PolarHBondContact ND1-OE1 2.79Å; H663-T734 PolarHBondContact CE1-OG1 3.17Å
664M88.3Confident76.6Confident8 Ų870.8 Ų70.84%0.03938%0.384CS..EExtended strand (participates in β ladder)trans-154155.8-179.566.1-170.278.500111.9V662 F671 F673 L698 E732 V733 M735V662-M664 HydrophobicContact CB-CE 4.15Å; V662-M664 HydrophobicContact CG1-CE 3.55Å; M664-F671 HydrophobicContact CG-CD1 3.99Å; M664-F671 HydrophobicContact SD-CB 4.28Å; M664-F671 HydrophobicContact SD-CD1 4.27Å; M664-F673 HydrophobicContact CE-CE1 4.43Å; M664-F673 HydrophobicContact SD-CD1 4.06Å; M664-F673 HydrophobicContact SD-CE1 3.53Å; M664-F673 VanDerWaalsContact SD-CE1 3.53Å; M664-F673 HydrophobicContact SD-CZ 4.49Å; M664-L698 HydrophobicContact CE-CD1 4.34Å; M664-L698 HydrophobicContact CE-CD2 4.22Å; M664-E732 CarbonylContact O-C 3.58Å; M664-E732 WeakPolarHBondContact O-CA 3.14Å; M664-V733 HydrophobicContact CG-CG1 3.39Å; M664-V733 PolarHBondContact N-O 3.5Å; M664-V733 PolarHBondContact O-N 3.16Å; M664-V733 HydrophobicContact SD-CG1 4.2Å; M664-M735 HydrophobicContact CE-CG 4.43Å; M664-M735 HydrophobicContact CE-SD 3.64Å; M664-M735 HydrophobicContact SD-SD 3.86Å
665E84.3Confident79.3Confident110 Ų11068.6 Ų68.651%0.51436%0.362SS..EExtended strand (participates in β ladder)trans-108.1144.9-176-159.5-157.6123.600112.5G667 R694 G730E665-G667 PolarHBondContact O-N 3.23Å; E665-R694 WeakPolarHBondContact O-CD 3.32Å; E665-G730 WeakPolarHBondContact OE1-CA 3.37Å
666K85.5Confident81.3Confident21 Ų2163.1 Ų63.19%0.09133%0.332CS..  trans-8883.8177.3-160.9179.5175.3173.10113.6F671 L724 S725 L727 K729 G730 S731K666-F671 HydrophobicContact CB-CD1 4Å; K666-F671 HydrophobicContact CB-CE1 3.42Å; K666-F671 VanDerWaalsContact CB-CE1 3.42Å; K666-F671 HydrophobicContact CB-CE2 4.42Å; K666-F671 HydrophobicContact CB-CZ 3.66Å; K666-F671 HydrophobicContact CD-CE1 4.36Å; K666-F671 HydrophobicContact CD-CE2 3.87Å; K666-F671 HydrophobicContact CD-CZ 3.76Å; K666-F671 HydrophobicContact CG-CD1 4.24Å; K666-F671 HydrophobicContact CG-CD2 4.4Å; K666-F671 HydrophobicContact CG-CE1 3.9Å; K666-F671 HydrophobicContact CG-CE2 4.07Å; K666-F671 HydrophobicContact CG-CG 4.47Å; K666-F671 HydrophobicContact CG-CZ 3.81Å; K666-L724 PolarHBondContact NZ-O 3.19Å; K666-S725 PolarHBondContact NZ-O 3.44Å; K666-L727 HydrophobicContact CD-CB 4.13Å; K666-L727 VanDerWaalsContact CD-O 3.23Å; K666-L727 WeakPolarHBondContact CD-O 3.17Å; K666-L727 WeakPolarHBondContact CE-O 3.49Å; K666-L727 PolarHBondContact NZ-O 2.76Å; K666-K729 CarbonylContact O-C 3.53Å; K666-K729 VanDerWaalsContact O-CA 3.25Å; K666-K729 WeakPolarHBondContact O-CA 3.28Å; K666-G730 PolarHBondContact O-N 2.82Å; K666-S731 PolarHBondContact N-O 2.74Å
667G77.9Confident83.3Confident16 Ų1660.3 Ų60.317%0.16532%0.322CS..BIsolated β-bridgetrans-76.9-171.3167.300000114.1E665 K669 G670 R694E665-G667 PolarHBondContact O-N 3.23Å; G667-K669 PolarHBondContact O-N 3.03Å; G667-G670 WeakPolarHBondContact O-CA 3.31Å; G667-G670 PolarHBondContact O-N 2.91Å; G667-R694 VanDerWaalsContact C-NH1 3.29Å
668D75.1Confident84Confident121 Ų12158.7 Ų58.765%0.64731%0.312SS*.THydrogen-bonded Turntrans-59.4-34.9-161.6-70.3-76.2000118.2G670 K729D668-G670 VanDerWaalsContact C-N 3.28Å; D668-K729 WeakPolarHBondContact OD1-CE 3.39Å; D668-K729 IonicContact OD1-NZ 3.53Å; D668-K729 PolarHBondContact OD1-NZ 2.8Å
669K75.6Confident83Confident207 Ų20762 Ų6290%0.933%0.332SS*.THydrogen-bonded Turntrans-92.817.6178.5-60.7-179.6-177.2175.10112.4G667G667-K669 PolarHBondContact O-N 3.03Å
670G84.1Confident81.8Confident18 Ų1860.9 Ų60.919%0.18635%0.346CS..BIsolated β-bridgetrans82.9-155-172.400000112.7G667 D668 R694G667-G670 WeakPolarHBondContact O-CA 3.31Å; G667-G670 PolarHBondContact O-N 2.91Å; D668-G670 VanDerWaalsContact C-N 3.28Å; G670-R694 PolarHBondContact O-NH1 3.46Å
671F86.1Confident80.4Confident15 Ų1562.8 Ų62.87%0.06637%0.373CS..SBendtrans-80.8-9.5-173.4-65.6-70.2000115.3M664 K666 F673 R694 C695 L724 L727 V733M664-F671 HydrophobicContact CG-CD1 3.99Å; M664-F671 HydrophobicContact SD-CB 4.28Å; M664-F671 HydrophobicContact SD-CD1 4.27Å; K666-F671 HydrophobicContact CB-CD1 4Å; K666-F671 HydrophobicContact CB-CE1 3.42Å; K666-F671 VanDerWaalsContact CB-CE1 3.42Å; K666-F671 HydrophobicContact CB-CE2 4.42Å; K666-F671 HydrophobicContact CB-CZ 3.66Å; K666-F671 HydrophobicContact CD-CE1 4.36Å; K666-F671 HydrophobicContact CD-CE2 3.87Å; K666-F671 HydrophobicContact CD-CZ 3.76Å; K666-F671 HydrophobicContact CG-CD1 4.24Å; K666-F671 HydrophobicContact CG-CD2 4.4Å; K666-F671 HydrophobicContact CG-CE1 3.9Å; K666-F671 HydrophobicContact CG-CE2 4.07Å; K666-F671 HydrophobicContact CG-CG 4.47Å; K666-F671 HydrophobicContact CG-CZ 3.81Å; F671-F673 HydrophobicContact CB-CD1 3.76Å; F671-F673 HydrophobicContact CB-CE1 3.44Å; F671-F673 VanDerWaalsContact CB-CE1 3.44Å; F671-F673 HydrophobicContact CB-CZ 4.45Å; F671-F673 HydrophobicContact CG-CE1 4.2Å; F671-R694 WeakPolarHBondContact O-CD 3.39Å; F671-C695 PolarHBondContact O-SG 2.9Å; F671-L724 HydrophobicContact CD2-CB 4.29Å; F671-L724 HydrophobicContact CD2-CD2 4.05Å; F671-L724 HydrophobicContact CE2-CB 4.03Å; F671-L724 HydrophobicContact CE2-CD2 3.71Å; F671-L724 HydrophobicContact CE2-CG 4.48Å; F671-L724 WeakPolarHBondContact CE2-O 3.36Å; F671-L724 HydrophobicContact CZ-CD2 4.44Å; F671-L727 HydrophobicContact CE2-CD1 4.07Å; F671-L727 HydrophobicContact CZ-CB 4.22Å; F671-L727 HydrophobicContact CZ-CD1 3.65Å; F671-V733 HydrophobicContact CD1-CG1 3.79Å; F671-V733 HydrophobicContact CE1-CB 3.83Å; F671-V733 HydrophobicContact CE1-CG1 3.24Å; F671-V733 HydrophobicContact CZ-CB 3.96Å; F671-V733 HydrophobicContact CZ-CG1 3.71Å
672G83.9Confident79.2Confident15 Ų1560 Ų6016%0.15536%0.36CS..SBendtrans81.817.2174.200000116.2V690 D691 C695G672-V690 CarbonylContact O-C 3.38Å; G672-V690 WeakPolarHBondContact O-CA 3.47Å; G672-V690 WeakPolarHBondContact O-CB 3.3Å; G672-V690 PolarHBondContact O-N 2.89Å; G672-D691 PolarHBondContact O-N 3.22Å; G672-C695 VanDerWaalsContact C-SG 3.56Å; G672-C695 PolarHBondContact O-SG 3Å
673F91.1Very high78.6Confident27 Ų2760.2 Ų60.212%0.11836%0.363CS..EExtended strand (participates in β ladder)trans-134.3164.2170.267.5-85.2000111M664 F671 I675 V686 Q688 I689 L698 I704 L724 M735M664-F673 HydrophobicContact CE-CE1 4.43Å; M664-F673 HydrophobicContact SD-CD1 4.06Å; M664-F673 HydrophobicContact SD-CE1 3.53Å; M664-F673 VanDerWaalsContact SD-CE1 3.53Å; M664-F673 HydrophobicContact SD-CZ 4.49Å; F671-F673 HydrophobicContact CB-CD1 3.76Å; F671-F673 HydrophobicContact CB-CE1 3.44Å; F671-F673 VanDerWaalsContact CB-CE1 3.44Å; F671-F673 HydrophobicContact CB-CZ 4.45Å; F671-F673 HydrophobicContact CG-CE1 4.2Å; F673-I675 HydrophobicContact CD2-CG2 3.77Å; F673-I675 HydrophobicContact CE2-CG2 3.45Å; F673-I675 VanDerWaalsContact CE2-CG2 3.45Å; F673-V686 HydrophobicContact CB-CG1 4.46Å; F673-V686 HydrophobicContact CD2-CG1 4.36Å; F673-V686 HydrophobicContact CD2-CG2 4.42Å; F673-Q688 CarbonylContact C-O 3.55Å; F673-Q688 WeakPolarHBondContact CA-O 3.49Å; F673-I689 HydrophobicContact CB-CG1 4.4Å; F673-L698 HydrophobicContact CB-CD2 4Å; F673-L698 HydrophobicContact CD1-CD2 3.73Å; F673-L698 HydrophobicContact CD2-CD2 3.98Å; F673-L698 HydrophobicContact CE1-CD2 4.18Å; F673-L698 HydrophobicContact CE2-CD2 4.41Å; F673-L698 HydrophobicContact CG-CD2 3.63Å; F673-I704 HydrophobicContact CE2-CD1 4.02Å; F673-L724 HydrophobicContact CZ-CD1 4.28Å; F673-M735 HydrophobicContact CE1-CE 4.47Å; F673-M735 HydrophobicContact CE1-SD 4.14Å; F673-M735 HydrophobicContact CE2-CE 4.2Å; F673-M735 HydrophobicContact CZ-CE 3.67Å; F673-M735 HydrophobicContact CZ-SD 3.8Å
674T88.9Confident78.6Confident54 Ų5455.5 Ų55.533%0.33134%0.341SS..EExtended strand (participates in β ladder)trans-115.9154.3174.363.40000110.9K687 Q688 V690T674-K687 PolarHBondContact O-N 2.97Å; T674-Q688 PolarHBondContact N-O 3.37Å; T674-Q688 WeakPolarHBondContact OG1-CB 3.42Å; T674-Q688 PolarHBondContact OG1-N 3.33Å; T674-Q688 PolarHBondContact OG1-O 3.02Å; T674-V690 HydrophobicContact CG2-CG2 4.33Å
675I91.4Very high78.7Confident24 Ų2460.5 Ų60.512%0.12336%0.36CS..EExtended strand (participates in β ladder)trans-125160.8179.864.6179000111.8F673 Q684 R685 I704 H717 V720 V721F673-I675 HydrophobicContact CD2-CG2 3.77Å; F673-I675 HydrophobicContact CE2-CG2 3.45Å; F673-I675 VanDerWaalsContact CE2-CG2 3.45Å; I675-Q684 HydrophobicContact CB-CB 4.42Å; I675-Q684 HydrophobicContact CD1-CB 4.14Å; I675-Q684 HydrophobicContact CD1-CG 4.1Å; I675-R685 CarbonylContact C-O 3.54Å; I675-R685 VanDerWaalsContact CA-O 3.27Å; I675-R685 WeakPolarHBondContact CA-O 3.5Å; I675-I704 HydrophobicContact CG2-CD1 3.61Å; I675-H717 PolarHBondContact O-CE1 3.21Å; I675-V720 HydrophobicContact CD1-CB 4.33Å; I675-V720 HydrophobicContact CD1-CG1 4.03Å; I675-V721 HydrophobicContact CD1-CG2 3.96Å; I675-V721 HydrophobicContact CG1-CG2 4.37Å
676A86.4Confident79Confident35 Ų3555.2 Ų55.229%0.28934%0.335SS..EExtended strand (participates in β ladder)trans-148.6158.2172.300000110.3S678 Q684 R685 K687A676-S678 PolarHBondContact O-N 3.26Å; A676-Q684 PolarHBondContact O-OE1 2.81Å; A676-R685 PolarHBondContact N-O 3.14Å; A676-R685 PolarHBondContact O-N 3.11Å; A676-K687 HydrophobicContact CB-CB 4.22Å; A676-K687 HydrophobicContact CB-CD 4.34Å
677D80.1Confident79.2Confident105 Ų10560.5 Ų60.556%0.56136%0.358SS*.EExtended strand (participates in β ladder)trans-59.9135.1175.2-65.3-59000111.5Q684D677-Q684 PolarHBondContact OD1-NE2 3.28Å
678S74.3Confident79.6Confident17 Ų1764.7 Ų64.712%0.11937%0.373CS..  trans-77.8125.4174.464.10000111.1A676 G680 G681 G682 G683A676-S678 PolarHBondContact O-N 3.26Å; S678-G680 PolarHBondContact O-N 3.23Å; S678-G681 PolarHBondContact O-N 2.6Å; S678-G682 PolarHBondContact OG-N 3.17Å; S678-G683 VanDerWaalsContact CB-O 3.25Å; S678-G683 WeakPolarHBondContact CB-O 3.36Å; S678-G683 PolarHBondContact N-O 3.21Å; S678-G683 VanDerWaalsContact N-O 3.12Å; S678-G683 PolarHBondContact OG-N 3.41Å; S678-G683 PolarHBondContact OG-O 2.98Å
679L56.9Low80.2Confident190 Ų19059.3 Ų59.3100%0.99534%0.344SS*.THydrogen-bonded Turntrans-61.1-12.3179.5-69.4173.7000114.4
680G59.1Low80.7Confident80 Ų8054.3 Ų54.383%0.82533%0.331SS*.THydrogen-bonded Turntrans-950.5173.600000115.1S678S678-G680 PolarHBondContact O-N 3.23Å
681G58Low80.7Confident70 Ų7055.4 Ų55.472%0.72233%0.333SS*.SBendtrans72.524178.600000115.3S678S678-G681 PolarHBondContact O-N 2.6Å
682G62.7Low80.3Confident23 Ų2361.7 Ų61.724%0.23736%0.357CS..SBendtrans-98.85.5-173.600000116.1S678 Q713S678-G682 PolarHBondContact OG-N 3.17Å; G682-Q713 WeakPolarHBondContact O-CG 3.35Å; G682-Q713 PolarHBondContact O-NE2 3.17Å
683G75.3Confident80.1Confident7 Ų765.9 Ų65.97%0.07238%0.381CS..SBendtrans122.4-160.7-173.600000113.6S678S678-G683 VanDerWaalsContact CB-O 3.25Å; S678-G683 WeakPolarHBondContact CB-O 3.36Å; S678-G683 PolarHBondContact N-O 3.21Å; S678-G683 VanDerWaalsContact N-O 3.12Å; S678-G683 PolarHBondContact OG-N 3.41Å; S678-G683 PolarHBondContact OG-O 2.98Å
684Q86.6Confident79.5Confident3 Ų368 Ų681%0.01439%0.389CS..EExtended strand (participates in β ladder)trans-89.8128.4178.8-64.9-60-53.100111I675 A676 D677 I704 H717 V720I675-Q684 HydrophobicContact CB-CB 4.42Å; I675-Q684 HydrophobicContact CD1-CB 4.14Å; I675-Q684 HydrophobicContact CD1-CG 4.1Å; A676-Q684 PolarHBondContact O-OE1 2.81Å; D677-Q684 PolarHBondContact OD1-NE2 3.28Å; Q684-I704 HydrophobicContact CB-CD1 4.37Å; Q684-I704 PolarHBondContact O-N 3.38Å; Q684-H717 PolarHBondContact OE1-ND1 2.72Å; Q684-V720 HydrophobicContact CG-CB 3.94Å; Q684-V720 HydrophobicContact CG-CG1 4.11Å; Q684-V720 HydrophobicContact CG-CG2 3.74Å
685R90.1Very high79.1Confident112 Ų11265.6 Ų65.642%0.42337%0.374SS..EExtended strand (participates in β ladder)trans-94.1137.2176.9-173.6-175.6179.4-86.79.2110.3I675 A676 K687 G701 D702I675-R685 CarbonylContact C-O 3.54Å; I675-R685 VanDerWaalsContact CA-O 3.27Å; I675-R685 WeakPolarHBondContact CA-O 3.5Å; A676-R685 PolarHBondContact N-O 3.14Å; A676-R685 PolarHBondContact O-N 3.11Å; R685-K687 PolarHBondContact O-N 3.07Å; R685-G701 VanDerWaalsContact NH2-CA 3.33Å; R685-D702 CarbonylContact C-O 3.56Å; R685-D702 WeakPolarHBondContact CA-O 3.17Å
686V90.3Very high78.3Confident0 Ų073.9 Ų73.90%040%0.404CS..EExtended strand (participates in β ladder)trans-62.7119.2167.7-178.40000108.3F673 I689 L698 G701 D702 I704F673-V686 HydrophobicContact CB-CG1 4.46Å; F673-V686 HydrophobicContact CD2-CG1 4.36Å; F673-V686 HydrophobicContact CD2-CG2 4.42Å; V686-I689 HydrophobicContact CG1-CG1 4.28Å; V686-L698 HydrophobicContact CG1-CD2 4.13Å; V686-L698 HydrophobicContact CG1-CG 4.42Å; V686-L698 HydrophobicContact CG2-CD1 3.92Å; V686-L698 HydrophobicContact CG2-CD2 3.95Å; V686-L698 HydrophobicContact CG2-CG 3.98Å; V686-G701 WeakPolarHBondContact O-CA 3.43Å; V686-G701 PolarHBondContact O-N 3.2Å; V686-D702 HydrophobicContact CG2-CB 4.16Å; V686-D702 PolarHBondContact N-O 3.1Å; V686-I704 HydrophobicContact CG2-CD1 4.4Å; V686-I704 HydrophobicContact CG2-CG1 4.23Å
687K89.5Confident77.9Confident131 Ų13174.5 Ų74.557%0.5741%0.413SS*.EExtended strand (participates in β ladder)trans-89.5-47.1-177.4-179.4-176.8175.1-174.90111.9T674 A676 R685T674-K687 PolarHBondContact O-N 2.97Å; A676-K687 HydrophobicContact CB-CB 4.22Å; A676-K687 HydrophobicContact CB-CD 4.34Å; R685-K687 PolarHBondContact O-N 3.07Å
688Q86.9Confident78.3Confident104 Ų10469.8 Ų69.849%0.48639%0.388SS..EExtended strand (participates in β ladder)trans-153.5143.6-177.2-167.5-176.66.200110.7F673 T674 E700F673-Q688 CarbonylContact C-O 3.55Å; F673-Q688 WeakPolarHBondContact CA-O 3.49Å; T674-Q688 PolarHBondContact N-O 3.37Å; T674-Q688 WeakPolarHBondContact OG1-CB 3.42Å; T674-Q688 PolarHBondContact OG1-N 3.33Å; T674-Q688 PolarHBondContact OG1-O 3.02Å; Q688-E700 WeakPolarHBondContact CA-OE1 3.41Å; Q688-E700 VanDerWaalsContact CG-OE1 3.29Å; Q688-E700 WeakPolarHBondContact CG-OE1 3.17Å
689I87.9Confident78.8Confident8 Ų876.3 Ų76.34%0.04141%0.41CS..EExtended strand (participates in β ladder)trans-98.8131.6170.5-63.5174.9000109.4F673 V686 Y692 C695 L698 E700F673-I689 HydrophobicContact CB-CG1 4.4Å; V686-I689 HydrophobicContact CG1-CG1 4.28Å; I689-Y692 HydrophobicContact CB-CD2 4.06Å; I689-Y692 HydrophobicContact CB-CE2 3.76Å; I689-Y692 HydrophobicContact CD1-CE1 4.38Å; I689-Y692 HydrophobicContact CG2-CD1 4.25Å; I689-Y692 HydrophobicContact CG2-CD2 3.51Å; I689-Y692 HydrophobicContact CG2-CE1 4.47Å; I689-Y692 HydrophobicContact CG2-CE2 3.76Å; I689-Y692 HydrophobicContact CG2-CG 3.78Å; I689-C695 HydrophobicContact CD1-CB 4.38Å; I689-C695 HydrophobicContact CG2-CB 3.83Å; I689-L698 HydrophobicContact CD1-CB 4.28Å; I689-L698 WeakPolarHBondContact CD1-O 3.21Å; I689-E700 HydrophobicContact CB-CG 4.44Å; I689-E700 HydrophobicContact CD1-CG 4.37Å; I689-E700 HydrophobicContact CG1-CG 4.06Å; I689-E700 PolarHBondContact N-OE1 3Å
690V85.7Confident80.3Confident103 Ų10371.7 Ų71.762%0.62438%0.384SS*.SBendtrans-114.4-26.9-174.1-171.70000111.6G672 T674G672-V690 CarbonylContact O-C 3.38Å; G672-V690 WeakPolarHBondContact O-CA 3.47Å; G672-V690 WeakPolarHBondContact O-CB 3.3Å; G672-V690 PolarHBondContact O-N 2.89Å; T674-V690 HydrophobicContact CG2-CG2 4.33Å
691D83.9Confident81.5Confident41 Ų4168.9 Ų68.922%0.21935%0.354CS..  trans-128.681173-172.5-20.8000109.3G672 P693 R694 C695G672-D691 PolarHBondContact O-N 3.22Å; D691-P693 VanDerWaalsContact OD1-CD 3.3Å; D691-P693 WeakPolarHBondContact OD1-CD 3.42Å; D691-R694 HydrophobicContact CB-CB 4.01Å; D691-R694 VanDerWaalsContact CG-CB 3.42Å; D691-R694 PolarHBondContact O-N 3.09Å; D691-R694 VanDerWaalsContact O-N 3.09Å; D691-R694 WeakPolarHBondContact OD1-CB 3.15Å; D691-R694 PolarHBondContact OD1-N 2.8Å; D691-R694 VanDerWaalsContact OD1-N 3.11Å; D691-R694 IonicContact OD2-CZ 3.91Å; D691-R694 IonicContact OD2-NE 3.77Å; D691-R694 PolarHBondContact OD2-NE 3.42Å; D691-R694 IonicContact OD2-NH2 3.68Å; D691-R694 PolarHBondContact OD2-NH2 3.25Å; D691-C695 PolarHBondContact O-N 3.2Å; D691-C695 PolarHBondContact O-SG 2.86Å; D691-C695 VanDerWaalsContact O-SG 3.38Å
692Y77.1Confident83Confident147 Ų14765.7 Ų65.758%0.57632%0.321SS*.THydrogen-bonded Turntrans-53.8-42.4177.2-95-91.4000114I689 R694 C695I689-Y692 HydrophobicContact CB-CD2 4.06Å; I689-Y692 HydrophobicContact CB-CE2 3.76Å; I689-Y692 HydrophobicContact CD1-CE1 4.38Å; I689-Y692 HydrophobicContact CG2-CD1 4.25Å; I689-Y692 HydrophobicContact CG2-CD2 3.51Å; I689-Y692 HydrophobicContact CG2-CE1 4.47Å; I689-Y692 HydrophobicContact CG2-CE2 3.76Å; I689-Y692 HydrophobicContact CG2-CG 3.78Å; Y692-R694 PolarHBondContact O-N 3.05Å; Y692-C695 PolarHBondContact O-N 3.39Å
693P79.9Confident84.3Confident102 Ų10266 Ų6666%0.66232%0.317SS*.THydrogen-bonded Turntrans-56.1-31.4173.7-29.636.5000115D691 R696D691-P693 VanDerWaalsContact OD1-CD 3.3Å; D691-P693 WeakPolarHBondContact OD1-CD 3.42Å; P693-R696 WeakPolarHBondContact O-CG 3.44Å
694R77.9Confident85.1Confident72 Ų7265.7 Ų65.727%0.27231%0.313SS..THydrogen-bonded Turntrans-88-38178.6-169.6-177.5-49-140.5-15113.3E665 G667 G670 F671 D691 Y692 R696E665-R694 WeakPolarHBondContact O-CD 3.32Å; G667-R694 VanDerWaalsContact C-NH1 3.29Å; G670-R694 PolarHBondContact O-NH1 3.46Å; F671-R694 WeakPolarHBondContact O-CD 3.39Å; D691-R694 HydrophobicContact CB-CB 4.01Å; D691-R694 VanDerWaalsContact CG-CB 3.42Å; D691-R694 PolarHBondContact O-N 3.09Å; D691-R694 VanDerWaalsContact O-N 3.09Å; D691-R694 WeakPolarHBondContact OD1-CB 3.15Å; D691-R694 PolarHBondContact OD1-N 2.8Å; D691-R694 VanDerWaalsContact OD1-N 3.11Å; D691-R694 IonicContact OD2-CZ 3.91Å; D691-R694 IonicContact OD2-NE 3.77Å; D691-R694 PolarHBondContact OD2-NE 3.42Å; D691-R694 IonicContact OD2-NH2 3.68Å; D691-R694 PolarHBondContact OD2-NH2 3.25Å; Y692-R694 PolarHBondContact O-N 3.05Å; R694-R696 PolarHBondContact O-N 2.59Å; R694-R696 VanDerWaalsContact O-N 3.14Å
695C81.3Confident85.2Confident3 Ų366 Ų662%0.0232%0.315CS..SBendtrans-84.234.1-178.7-57.60000113.7F671 G672 I689 D691 Y692 G697 L698F671-C695 PolarHBondContact O-SG 2.9Å; G672-C695 VanDerWaalsContact C-SG 3.56Å; G672-C695 PolarHBondContact O-SG 3Å; I689-C695 HydrophobicContact CD1-CB 4.38Å; I689-C695 HydrophobicContact CG2-CB 3.83Å; D691-C695 PolarHBondContact O-N 3.2Å; D691-C695 PolarHBondContact O-SG 2.86Å; D691-C695 VanDerWaalsContact O-SG 3.38Å; Y692-C695 PolarHBondContact O-N 3.39Å; C695-G697 PolarHBondContact O-N 3.29Å; C695-G697 VanDerWaalsContact O-N 3.16Å; C695-L698 HydrophobicContact CB-CB 4.15Å; C695-L698 HydrophobicContact CB-CD2 4.35Å; C695-L698 WeakPolarHBondContact O-CB 3.34Å; C695-L698 PolarHBondContact O-N 3.4Å
696R75.3Confident85.2Confident198 Ų19863.4 Ų63.475%0.74731%0.308SS*.THydrogen-bonded Turntrans-55.6120.3-176.1-78.5-179178.4-122.20.7111.7V662 P693 R694V662-R696 WeakPolarHBondContact CG1-O 3.37Å; P693-R696 WeakPolarHBondContact O-CG 3.44Å; R694-R696 PolarHBondContact O-N 2.59Å; R694-R696 VanDerWaalsContact O-N 3.14Å
697G76.6Confident85.2Confident48 Ų4863.4 Ų63.450%0.49531%0.308SS..THydrogen-bonded Turntrans94.2-20.717900000114.7C695 R739C695-G697 PolarHBondContact O-N 3.29Å; C695-G697 VanDerWaalsContact O-N 3.16Å; G697-R739 PolarHBondContact O-NH2 2.85Å
698L88.4Confident85Confident7 Ų760 Ų604%0.03730%0.295CS..  trans-72.9148.9168.4-157.568.6000109.9V662 M664 F673 V686 I689 C695 V737V662-L698 HydrophobicContact CG1-CB 4.21Å; V662-L698 HydrophobicContact CG2-CD1 4.33Å; M664-L698 HydrophobicContact CE-CD1 4.34Å; M664-L698 HydrophobicContact CE-CD2 4.22Å; F673-L698 HydrophobicContact CB-CD2 4Å; F673-L698 HydrophobicContact CD1-CD2 3.73Å; F673-L698 HydrophobicContact CD2-CD2 3.98Å; F673-L698 HydrophobicContact CE1-CD2 4.18Å; F673-L698 HydrophobicContact CE2-CD2 4.41Å; F673-L698 HydrophobicContact CG-CD2 3.63Å; V686-L698 HydrophobicContact CG1-CD2 4.13Å; V686-L698 HydrophobicContact CG1-CG 4.42Å; V686-L698 HydrophobicContact CG2-CD1 3.92Å; V686-L698 HydrophobicContact CG2-CD2 3.95Å; V686-L698 HydrophobicContact CG2-CG 3.98Å; I689-L698 HydrophobicContact CD1-CB 4.28Å; I689-L698 WeakPolarHBondContact CD1-O 3.21Å; C695-L698 HydrophobicContact CB-CB 4.15Å; C695-L698 HydrophobicContact CB-CD2 4.35Å; C695-L698 WeakPolarHBondContact O-CB 3.34Å; C695-L698 PolarHBondContact O-N 3.4Å; L698-V737 HydrophobicContact CD1-CG1 3.89Å; L698-V737 HydrophobicContact CD1-CG2 4.43Å
699R85.7Confident84.7Confident154 Ų15463.9 Ų63.958%0.58131%0.311SS*.  trans-133.8154.7173.3-67.8-175.2-173.5-179.91.8111.2G701 D702R699-G701 PolarHBondContact O-N 3.15Å; R699-D702 PolarHBondContact N-OD2 3Å; R699-D702 PolarHBondContact O-N 3.46Å
700E87.9Confident84.4Confident93 Ų9369.5 Ų69.544%0.43533%0.332SS..THydrogen-bonded Turntrans-63.1122.1172.2-60.3-166.1166.800109.9Q688 I689Q688-E700 WeakPolarHBondContact CA-OE1 3.41Å; Q688-E700 VanDerWaalsContact CG-OE1 3.29Å; Q688-E700 WeakPolarHBondContact CG-OE1 3.17Å; I689-E700 HydrophobicContact CB-CG 4.44Å; I689-E700 HydrophobicContact CD1-CG 4.37Å; I689-E700 HydrophobicContact CG1-CG 4.06Å; I689-E700 PolarHBondContact N-OE1 3Å
701G83.9Confident84.5Confident20 Ų2067.7 Ų67.721%0.20632%0.319CS..THydrogen-bonded Turntrans97.1-2.4-178.800000117.6R685 V686 R699R685-G701 VanDerWaalsContact NH2-CA 3.33Å; V686-G701 WeakPolarHBondContact O-CA 3.43Å; V686-G701 PolarHBondContact O-N 3.2Å; R699-G701 PolarHBondContact O-N 3.15Å
702D90.5Very high84.7Confident4 Ų465.8 Ų65.82%0.02131%0.308CS..PPolyproline II helixtrans-58.4143164.6-67.1-22.1000110.7R685 V686 R699 V737 R739R685-D702 CarbonylContact C-O 3.56Å; R685-D702 WeakPolarHBondContact CA-O 3.17Å; V686-D702 HydrophobicContact CG2-CB 4.16Å; V686-D702 PolarHBondContact N-O 3.1Å; R699-D702 PolarHBondContact N-OD2 3Å; R699-D702 PolarHBondContact O-N 3.46Å; D702-V737 HydrophobicContact CB-CB 4.01Å; D702-V737 HydrophobicContact CB-CG2 3.89Å; D702-R739 IonicContact OD1-CZ 2.71Å; D702-R739 IonicContact OD1-NE 3.2Å; D702-R739 PolarHBondContact OD1-NE 3.48Å; D702-R739 IonicContact OD1-NH2 3.8Å; D702-R739 PolarHBondContact OD1-NH2 3.38Å; D702-R739 IonicContact OD2-CZ 3.71Å; D702-R739 IonicContact OD2-NE 2.81Å; D702-R739 IonicContact OD2-NH2 3.65Å; D702-R739 PolarHBondContact OD2-NH2 3.49Å
703I90.3Very high85Confident30 Ų3062.1 Ų62.115%0.15430%0.296CS..EExtended strand (participates in β ladder)trans-99.3124.1173.9-56.6176.5000108.9I705 V737 Q738I703-I705 HydrophobicContact CG2-CD1 4.14Å; I703-I705 PolarHBondContact O-N 3.29Å; I703-V737 CarbonylContact O-C 3.56Å; I703-V737 VanDerWaalsContact O-CA 3.22Å; I703-V737 WeakPolarHBondContact O-CA 3.28Å; I703-Q738 HydrophobicContact CB-CB 4.4Å; I703-Q738 PolarHBondContact N-O 3.49Å; I703-Q738 PolarHBondContact O-N 3.14Å
704I90.9Very high84.9Confident0 Ų062.6 Ų62.60%030%0.302CS..EExtended strand (participates in β ladder)trans-76.8120.3-179.9-51.8166000109.1F673 I675 Q684 V686 V707 V712 M735 V737F673-I704 HydrophobicContact CE2-CD1 4.02Å; I675-I704 HydrophobicContact CG2-CD1 3.61Å; Q684-I704 HydrophobicContact CB-CD1 4.37Å; Q684-I704 PolarHBondContact O-N 3.38Å; V686-I704 HydrophobicContact CG2-CD1 4.4Å; V686-I704 HydrophobicContact CG2-CG1 4.23Å; I704-V707 HydrophobicContact CG2-CG2 3.82Å; I704-V712 HydrophobicContact CB-CG2 4.31Å; I704-V712 HydrophobicContact CG2-CG2 3.63Å; I704-M735 HydrophobicContact CB-CE 4.3Å; I704-M735 HydrophobicContact CD1-CE 3.55Å; I704-M735 HydrophobicContact CG1-CE 3.66Å; I704-M735 HydrophobicContact CG2-CE 3.63Å; I704-V737 HydrophobicContact CG1-CG1 4.37Å
705I88.8Confident85.2Confident10 Ų1062.1 Ų62.15%0.05130%0.304CS..EExtended strand (participates in β ladder)trans-98.8-48.3-178-51.6-56.6000109.9L659 I703 N711 V712 Q713 L736 Q738L659-I705 HydrophobicContact CD2-CG1 3.89Å; I703-I705 HydrophobicContact CG2-CD1 4.14Å; I703-I705 PolarHBondContact O-N 3.29Å; I705-N711 WeakPolarHBondContact O-CA 3.46Å; I705-V712 PolarHBondContact O-N 3.22Å; I705-Q713 HydrophobicContact CB-CG 4.42Å; I705-Q713 HydrophobicContact CD1-CG 4.08Å; I705-Q713 HydrophobicContact CG2-CG 4.09Å; I705-L736 WeakPolarHBondContact CA-O 3.48Å; I705-L736 HydrophobicContact CB-CB 4.46Å; I705-L736 HydrophobicContact CB-CD2 4.44Å; I705-L736 HydrophobicContact CB-CG 4.42Å; I705-L736 WeakPolarHBondContact CB-O 3.38Å; I705-L736 HydrophobicContact CG2-CD2 4.26Å; I705-L736 PolarHBondContact N-O 3.32Å; I705-Q738 HydrophobicContact CD1-CB 3.67Å; I705-Q738 HydrophobicContact CG1-CB 3.75Å
706E89.9Confident85.3Confident57 Ų5764.8 Ų64.827%0.26632%0.322SS..EExtended strand (participates in β ladder)trans-137.5154178.6-48.8-155.8145.100113.2K709 R710 N711 M735 L736E706-K709 WeakPolarHBondContact OE2-CA 3.25Å; E706-R710 CarbonylContact C-O 3.36Å; E706-R710 WeakPolarHBondContact CA-O 3.33Å; E706-R710 WeakPolarHBondContact CB-O 3.4Å; E706-N711 HydrophobicContact CG-CB 4.49Å; E706-M735 CarbonylContact O-C 3.57Å; E706-M735 VanDerWaalsContact O-CA 3.29Å; E706-M735 WeakPolarHBondContact O-CA 3.24Å; E706-L736 HydrophobicContact CB-CB 3.91Å; E706-L736 HydrophobicContact CG-CB 4.12Å; E706-L736 HydrophobicContact CG-CD2 4.17Å; E706-L736 PolarHBondContact N-O 3.11Å; E706-L736 VanDerWaalsContact N-O 3.12Å; E706-L736 PolarHBondContact O-N 3.27Å
707V90.9Very high85.7Confident0 Ų058 Ų580%030%0.299CS..EExtended strand (participates in β ladder)trans-133.1116.8172.7-178.20000108.6I704 K709 R710 V712 M723 L724 V733 M735I704-V707 HydrophobicContact CG2-CG2 3.82Å; V707-K709 VanDerWaalsContact C-N 3.35Å; V707-K709 PolarHBondContact O-N 3.46Å; V707-R710 PolarHBondContact N-O 3.14Å; V707-R710 WeakPolarHBondContact O-CB 3.49Å; V707-R710 PolarHBondContact O-N 2.9Å; V707-R710 VanDerWaalsContact O-N 3.14Å; V707-V712 HydrophobicContact CB-CG1 4.15Å; V707-V712 HydrophobicContact CG2-CG1 3.9Å; V707-V712 HydrophobicContact CG2-CG2 4.03Å; V707-M723 HydrophobicContact CB-SD 3.99Å; V707-M723 HydrophobicContact CG1-SD 4.18Å; V707-L724 HydrophobicContact CG1-CD2 3.72Å; V707-L724 HydrophobicContact CG2-CD2 4.39Å; V707-V733 HydrophobicContact CG1-CG2 3.55Å; V707-M735 HydrophobicContact CG1-CG 4.5Å; V707-M735 HydrophobicContact CG2-CG 4.3Å
708N86.1Confident86.1Confident58 Ų5861.5 Ų61.531%0.3131%0.307SS..THydrogen-bonded Turntrans47.652.3-172.1-74.7-3000113R710 V733 T734N708-R710 PolarHBondContact O-N 2.88Å; N708-V733 VanDerWaalsContact OD1-CA 3.32Å; N708-V733 WeakPolarHBondContact OD1-CA 3.33Å; N708-V733 VanDerWaalsContact OD1-CG2 3.29Å; N708-V733 WeakPolarHBondContact OD1-CG2 3.31Å; N708-T734 PolarHBondContact N-O 2.9Å; N708-T734 PolarHBondContact OD1-N 3.41Å; N708-T734 PolarHBondContact OD1-O 3.38Å
709K80.8Confident85.9Confident186 Ų18666 Ų6681%0.80933%0.327SS*.THydrogen-bonded Turntrans58.424-179.2-53.5-177.9-178.6-179.50114.8E706 V707E706-K709 WeakPolarHBondContact OE2-CA 3.25Å; V707-K709 VanDerWaalsContact C-N 3.35Å; V707-K709 PolarHBondContact O-N 3.46Å
710R81.3Confident86Confident126 Ų12658.6 Ų58.648%0.47530%0.299SS..EExtended strand (participates in β ladder)trans-111.2121.7168-62.2-175.3-66.3-152.3-3.1108.5E706 V707 N708 V712 M723E706-R710 CarbonylContact C-O 3.36Å; E706-R710 WeakPolarHBondContact CA-O 3.33Å; E706-R710 WeakPolarHBondContact CB-O 3.4Å; V707-R710 PolarHBondContact N-O 3.14Å; V707-R710 WeakPolarHBondContact O-CB 3.49Å; V707-R710 PolarHBondContact O-N 2.9Å; V707-R710 VanDerWaalsContact O-N 3.14Å; N708-R710 PolarHBondContact O-N 2.88Å; R710-V712 PolarHBondContact O-N 3.25Å; R710-M723 HydrophobicContact CB-CE 4.42Å; R710-M723 PolarHBondContact NH2-SD 2.8Å
711N87.7Confident86Confident66 Ų6657.2 Ų57.235%0.35330%0.297SS..EExtended strand (participates in β ladder)trans-61.6133.3173.6-171.7-64.3000110.4I705 E706 Q713I705-N711 WeakPolarHBondContact O-CA 3.46Å; E706-N711 HydrophobicContact CG-CB 4.49Å; N711-Q713 PolarHBondContact ND2-OE1 3.34Å; N711-Q713 VanDerWaalsContact ND2-OE1 3.09Å; N711-Q713 WeakPolarHBondContact OD1-CB 3.2Å; N711-Q713 PolarHBondContact OD1-N 3.49Å
712V86.9Confident86Confident0 Ų059.5 Ų59.50%030%0.304CS..  trans-1205.1-179.2-64.70000113.1I704 I705 V707 R710 S714 M715 V720 M723I704-V712 HydrophobicContact CB-CG2 4.31Å; I704-V712 HydrophobicContact CG2-CG2 3.63Å; I705-V712 PolarHBondContact O-N 3.22Å; V707-V712 HydrophobicContact CB-CG1 4.15Å; V707-V712 HydrophobicContact CG2-CG1 3.9Å; V707-V712 HydrophobicContact CG2-CG2 4.03Å; R710-V712 PolarHBondContact O-N 3.25Å; V712-S714 VanDerWaalsContact C-N 3.32Å; V712-S714 PolarHBondContact O-N 3.05Å; V712-M715 HydrophobicContact CG1-SD 4.19Å; V712-M715 PolarHBondContact O-N 3.35Å; V712-V720 HydrophobicContact CB-CG1 4.42Å; V712-V720 HydrophobicContact CB-CG2 3.9Å; V712-V720 HydrophobicContact CG1-CG2 4.4Å; V712-M723 HydrophobicContact CG1-CE 3.9Å; V712-M723 HydrophobicContact CG1-SD 4.06Å
713Q84.1Confident85.8Confident70 Ų7060.3 Ų60.333%0.32731%0.308SS..THydrogen-bonded Turntrans-65.8-35.9-177.9-59.2-175.3-87.800112.7G682 I705 N711 M715G682-Q713 WeakPolarHBondContact O-CG 3.35Å; G682-Q713 PolarHBondContact O-NE2 3.17Å; I705-Q713 HydrophobicContact CB-CG 4.42Å; I705-Q713 HydrophobicContact CD1-CG 4.08Å; I705-Q713 HydrophobicContact CG2-CG 4.09Å; N711-Q713 PolarHBondContact ND2-OE1 3.34Å; N711-Q713 VanDerWaalsContact ND2-OE1 3.09Å; N711-Q713 WeakPolarHBondContact OD1-CB 3.2Å; N711-Q713 PolarHBondContact OD1-N 3.49Å; Q713-M715 VanDerWaalsContact C-N 3.35Å
714S78.1Confident85.7Confident112 Ų11259.6 Ų59.678%0.78331%0.305SS*.THydrogen-bonded Turntrans-88.80.8177.556.80000113.7V712V712-S714 VanDerWaalsContact C-N 3.32Å; V712-S714 PolarHBondContact O-N 3.05Å
715M82.9Confident85.5Confident62 Ų6262.9 Ų62.931%0.30533%0.328SS..SBendtrans-88.6138.9177.3-72.5-165.6170.100111.6V712 Q713 Q719 V720 M723V712-M715 HydrophobicContact CG1-SD 4.19Å; V712-M715 PolarHBondContact O-N 3.35Å; Q713-M715 VanDerWaalsContact C-N 3.35Å; M715-Q719 HydrophobicContact CB-CB 4.09Å; M715-Q719 HydrophobicContact CG-CB 4.42Å; M715-Q719 HydrophobicContact SD-CB 4.22Å; M715-V720 HydrophobicContact CB-CG2 3.59Å; M715-M723 HydrophobicContact CE-CE 3.66Å; M715-M723 HydrophobicContact SD-CE 3.47Å; M715-M723 WeakPolarHBondContact SD-CE 3.47Å
716S83.3Confident85.2Confident59 Ų5969.4 Ų69.441%0.41336%0.356SS..  trans-64.5153.8170.864.20000111.4N718 Q719 V720S716-N718 PolarHBondContact O-N 2.91Å; S716-N718 VanDerWaalsContact O-N 3.13Å; S716-Q719 WeakPolarHBondContact O-CB 3.1Å; S716-Q719 PolarHBondContact O-N 2.85Å; S716-Q719 VanDerWaalsContact OG-CD 3.31Å; S716-Q719 WeakPolarHBondContact OG-CG 3.34Å; S716-Q719 PolarHBondContact OG-OE1 2.97Å; S716-V720 PolarHBondContact O-N 3.24Å; S716-V720 VanDerWaalsContact O-N 3.15Å
717H84.5Confident84.9Confident56 Ų5667.9 Ų67.926%0.25935%0.349SS..Hα-helixtrans-41.6-51.2176.2-175.981000113I675 Q684 Q719 V720 V721I675-H717 PolarHBondContact O-CE1 3.21Å; Q684-H717 PolarHBondContact OE1-ND1 2.72Å; H717-Q719 VanDerWaalsContact C-N 3.32Å; H717-Q719 PolarHBondContact O-N 2.81Å; H717-V720 PolarHBondContact O-N 2.8Å; H717-V721 WeakPolarHBondContact O-CG2 3.48Å; H717-V721 PolarHBondContact O-N 2.79Å
718N85.5Confident84.3Confident122 Ų12271.9 Ų71.965%0.65238%0.376SS*.Hα-helixtrans-63-33.6-178.6-64.9-18.3000113.3S716 D722S716-N718 PolarHBondContact O-N 2.91Å; S716-N718 VanDerWaalsContact O-N 3.13Å; N718-D722 WeakPolarHBondContact O-CB 3.49Å; N718-D722 PolarHBondContact O-N 2.97Å
719Q84.3Confident84Confident100 Ų10075.6 Ų75.647%0.46739%0.389SS..Hα-helixtrans-73-35.2176.5-71.6164.5-52.800112M715 S716 H717 M723M715-Q719 HydrophobicContact CB-CB 4.09Å; M715-Q719 HydrophobicContact CG-CB 4.42Å; M715-Q719 HydrophobicContact SD-CB 4.22Å; S716-Q719 WeakPolarHBondContact O-CB 3.1Å; S716-Q719 PolarHBondContact O-N 2.85Å; S716-Q719 VanDerWaalsContact OG-CD 3.31Å; S716-Q719 WeakPolarHBondContact OG-CG 3.34Å; S716-Q719 PolarHBondContact OG-OE1 2.97Å; H717-Q719 VanDerWaalsContact C-N 3.32Å; H717-Q719 PolarHBondContact O-N 2.81Å; Q719-M723 WeakPolarHBondContact O-CB 3.38Å; Q719-M723 PolarHBondContact O-N 2.86Å
720V87.9Confident83.8Confident0 Ų069.1 Ų69.10%038%0.375CS..Hα-helixtrans-73.1-41.2175.6-173.50000110.9I675 Q684 V712 M715 S716 H717 M723 L724I675-V720 HydrophobicContact CD1-CB 4.33Å; I675-V720 HydrophobicContact CD1-CG1 4.03Å; Q684-V720 HydrophobicContact CG-CB 3.94Å; Q684-V720 HydrophobicContact CG-CG1 4.11Å; Q684-V720 HydrophobicContact CG-CG2 3.74Å; V712-V720 HydrophobicContact CB-CG1 4.42Å; V712-V720 HydrophobicContact CB-CG2 3.9Å; V712-V720 HydrophobicContact CG1-CG2 4.4Å; M715-V720 HydrophobicContact CB-CG2 3.59Å; S716-V720 PolarHBondContact O-N 3.24Å; S716-V720 VanDerWaalsContact O-N 3.15Å; H717-V720 PolarHBondContact O-N 2.8Å; V720-M723 PolarHBondContact O-N 3.21Å; V720-L724 HydrophobicContact CG1-CD1 4.13Å; V720-L724 WeakPolarHBondContact O-CB 3.49Å; V720-L724 WeakPolarHBondContact O-CG 3.37Å; V720-L724 PolarHBondContact O-N 3.04Å
721V87.9Confident83.8Confident63 Ų6364.2 Ų64.238%0.38236%0.36SS..Hα-helixtrans-60.1-45171.5172.70000110.9I675 H717 L724 S725I675-V721 HydrophobicContact CD1-CG2 3.96Å; I675-V721 HydrophobicContact CG1-CG2 4.37Å; H717-V721 WeakPolarHBondContact O-CG2 3.48Å; H717-V721 PolarHBondContact O-N 2.79Å; V721-L724 PolarHBondContact O-N 2.78Å; V721-S725 WeakPolarHBondContact O-CB 3.28Å; V721-S725 PolarHBondContact O-N 3.3Å; V721-S725 PolarHBondContact O-OG 2.94Å
722D84.1Confident83.5Confident68 Ų6866.6 Ų66.636%0.36437%0.369SS..Hα-helixtrans-63.6-40.9176.3-178.566.6000112.6N718 S725 K726N718-D722 WeakPolarHBondContact O-CB 3.49Å; N718-D722 PolarHBondContact O-N 2.97Å; D722-S725 WeakPolarHBondContact CA-OG 3.45Å; D722-S725 PolarHBondContact O-N 2.88Å; D722-S725 PolarHBondContact O-OG 2.9Å; D722-S725 VanDerWaalsContact O-OG 3.07Å; D722-K726 WeakPolarHBondContact O-CB 3.42Å; D722-K726 WeakPolarHBondContact O-CG 3.34Å; D722-K726 PolarHBondContact O-N 3.46Å; D722-K726 WeakPolarHBondContact OD1-CE 3.36Å; D722-K726 IonicContact OD1-NZ 2.95Å; D722-K726 PolarHBondContact OD1-NZ 3.22Å; D722-K726 IonicContact OD2-NZ 2.95Å; D722-K726 PolarHBondContact OD2-NZ 3.3Å
723M85.9Confident83.6Confident21 Ų2166.6 Ų66.610%0.10337%0.369CS..Hα-helixtrans-62.2-46.1175.3-170.3-173.2-61.100111.8V707 R710 V712 M715 Q719 V720V707-M723 HydrophobicContact CB-SD 3.99Å; V707-M723 HydrophobicContact CG1-SD 4.18Å; R710-M723 HydrophobicContact CB-CE 4.42Å; R710-M723 PolarHBondContact NH2-SD 2.8Å; V712-M723 HydrophobicContact CG1-CE 3.9Å; V712-M723 HydrophobicContact CG1-SD 4.06Å; M715-M723 HydrophobicContact CE-CE 3.66Å; M715-M723 HydrophobicContact SD-CE 3.47Å; M715-M723 WeakPolarHBondContact SD-CE 3.47Å; Q719-M723 WeakPolarHBondContact O-CB 3.38Å; Q719-M723 PolarHBondContact O-N 2.86Å; V720-M723 PolarHBondContact O-N 3.21Å
724L87.6Confident83.7Confident15 Ų1565.3 Ų65.38%0.07937%0.366CS..Hα-helixtrans-71-33.9178.5-69.3169.1000111.8K666 F671 F673 V707 V720 V721 L727K666-L724 PolarHBondContact NZ-O 3.19Å; F671-L724 HydrophobicContact CD2-CB 4.29Å; F671-L724 HydrophobicContact CD2-CD2 4.05Å; F671-L724 HydrophobicContact CE2-CB 4.03Å; F671-L724 HydrophobicContact CE2-CD2 3.71Å; F671-L724 HydrophobicContact CE2-CG 4.48Å; F671-L724 WeakPolarHBondContact CE2-O 3.36Å; F671-L724 HydrophobicContact CZ-CD2 4.44Å; F673-L724 HydrophobicContact CZ-CD1 4.28Å; V707-L724 HydrophobicContact CG1-CD2 3.72Å; V707-L724 HydrophobicContact CG2-CD2 4.39Å; V720-L724 HydrophobicContact CG1-CD1 4.13Å; V720-L724 WeakPolarHBondContact O-CB 3.49Å; V720-L724 WeakPolarHBondContact O-CG 3.37Å; V720-L724 PolarHBondContact O-N 3.04Å; V721-L724 PolarHBondContact O-N 2.78Å; L724-L727 HydrophobicContact CD2-CD1 4.38Å
725S86.4Confident84.4Confident70 Ų7060 Ų6049%0.4933%0.329SS..Hα-helixtrans-71-30.7178.479.50000112.6K666 V721 D722K666-S725 PolarHBondContact NZ-O 3.44Å; V721-S725 WeakPolarHBondContact O-CB 3.28Å; V721-S725 PolarHBondContact O-N 3.3Å; V721-S725 PolarHBondContact O-OG 2.94Å; D722-S725 WeakPolarHBondContact CA-OG 3.45Å; D722-S725 PolarHBondContact O-N 2.88Å; D722-S725 PolarHBondContact O-OG 2.9Å; D722-S725 VanDerWaalsContact O-OG 3.07Å
726K83.1Confident84.6Confident146 Ų14659 Ų5964%0.63532%0.324SS*.Hα-helixtrans-81.3-14.4179.4-76.7170.9173.8160.70116.2D722D722-K726 WeakPolarHBondContact O-CB 3.42Å; D722-K726 WeakPolarHBondContact O-CG 3.34Å; D722-K726 PolarHBondContact O-N 3.46Å; D722-K726 WeakPolarHBondContact OD1-CE 3.36Å; D722-K726 IonicContact OD1-NZ 2.95Å; D722-K726 PolarHBondContact OD1-NZ 3.22Å; D722-K726 IonicContact OD2-NZ 2.95Å; D722-K726 PolarHBondContact OD2-NZ 3.3Å
727L82.9Confident85Confident25 Ų2556.1 Ų56.113%0.13131%0.305CS..SBendtrans-62.2137170.3-69.5169.6000110.1K666 F671 L724 V733K666-L727 HydrophobicContact CD-CB 4.13Å; K666-L727 VanDerWaalsContact CD-O 3.23Å; K666-L727 WeakPolarHBondContact CD-O 3.17Å; K666-L727 WeakPolarHBondContact CE-O 3.49Å; K666-L727 PolarHBondContact NZ-O 2.76Å; F671-L727 HydrophobicContact CE2-CD1 4.07Å; F671-L727 HydrophobicContact CZ-CB 4.22Å; F671-L727 HydrophobicContact CZ-CD1 3.65Å; L724-L727 HydrophobicContact CD2-CD1 4.38Å; L727-V733 HydrophobicContact CD1-CB 4.09Å; L727-V733 HydrophobicContact CD1-CG2 3.64Å
728P79.9Confident85.2Confident85 Ų8555.2 Ų55.255%0.55230%0.301SS*.PPolyproline II helixtrans-71.2160.4-177.226.1-29.6000112.1S731P728-S731 PolarHBondContact O-N 3.03Å; P728-S731 PolarHBondContact O-OG 2.92Å
729K79.8Confident85.2Confident135 Ų13551.6 Ų51.659%0.58728%0.278SS*.THydrogen-bonded Turntrans-64.5141.8171.1-69.9-175.5178.2-175.20109.7K666 D668 S731K666-K729 CarbonylContact O-C 3.53Å; K666-K729 VanDerWaalsContact O-CA 3.25Å; K666-K729 WeakPolarHBondContact O-CA 3.28Å; D668-K729 WeakPolarHBondContact OD1-CE 3.39Å; D668-K729 IonicContact OD1-NZ 3.53Å; D668-K729 PolarHBondContact OD1-NZ 2.8Å; K729-S731 VanDerWaalsContact C-N 3.28Å; K729-S731 PolarHBondContact O-N 2.72Å
730G75.1Confident84.4Confident50 Ų5049.5 Ų49.552%0.51528%0.283SS..THydrogen-bonded Turntrans782.7-17500000115E665 K666E665-G730 WeakPolarHBondContact OE1-CA 3.37Å; K666-G730 PolarHBondContact O-N 2.82Å
731S81.2Confident82.6Confident24 Ų2456.2 Ų56.217%0.16832%0.324CS..  trans-81132.2171.569.40000111.3K666 P728 K729K666-S731 PolarHBondContact N-O 2.74Å; P728-S731 PolarHBondContact O-N 3.03Å; P728-S731 PolarHBondContact O-OG 2.92Å; K729-S731 VanDerWaalsContact C-N 3.28Å; K729-S731 PolarHBondContact O-N 2.72Å
732E82.9Confident80.1Confident116 Ų11655.9 Ų55.954%0.54233%0.328SS..EExtended strand (participates in β ladder)trans-64139.8159-166.8-176170.600110.3H663 M664H663-E732 IonicContact CE1-OE1 2.72Å; H663-E732 IonicContact CG-OE1 3.4Å; H663-E732 IonicContact ND1-OE1 3.22Å; H663-E732 PolarHBondContact ND1-OE1 2.79Å; M664-E732 CarbonylContact O-C 3.58Å; M664-E732 WeakPolarHBondContact O-CA 3.14Å
733V87.6Confident77.6Confident0 Ų057.8 Ų57.80%034%0.344CS..EExtended strand (participates in β ladder)trans-121.7130.9166.874.70000109M664 F671 V707 N708 L727 M735M664-V733 HydrophobicContact CG-CG1 3.39Å; M664-V733 PolarHBondContact N-O 3.5Å; M664-V733 PolarHBondContact O-N 3.16Å; M664-V733 HydrophobicContact SD-CG1 4.2Å; F671-V733 HydrophobicContact CD1-CG1 3.79Å; F671-V733 HydrophobicContact CE1-CB 3.83Å; F671-V733 HydrophobicContact CE1-CG1 3.24Å; F671-V733 HydrophobicContact CZ-CB 3.96Å; F671-V733 HydrophobicContact CZ-CG1 3.71Å; V707-V733 HydrophobicContact CG1-CG2 3.55Å; N708-V733 VanDerWaalsContact OD1-CA 3.32Å; N708-V733 WeakPolarHBondContact OD1-CA 3.33Å; N708-V733 VanDerWaalsContact OD1-CG2 3.29Å; N708-V733 WeakPolarHBondContact OD1-CG2 3.31Å; L727-V733 HydrophobicContact CD1-CB 4.09Å; L727-V733 HydrophobicContact CD1-CG2 3.64Å; V733-M735 HydrophobicContact CG1-CG 4.21Å; V733-M735 HydrophobicContact CG1-SD 4.23Å; V733-M735 HydrophobicContact CG2-CG 4.19Å
734T87.7Confident74.8Confident43 Ų4361.8 Ų61.826%0.26438%0.38SS..EExtended strand (participates in β ladder)trans-97.7120.6169.3-50.90000108T661 H663 N708T661-T734 HydrophobicContact CG2-CG2 3.37Å; H663-T734 PolarHBondContact CE1-OG1 3.17Å; N708-T734 PolarHBondContact N-O 2.9Å; N708-T734 PolarHBondContact OD1-N 3.41Å; N708-T734 PolarHBondContact OD1-O 3.38Å
735M91.2Very high72.1Confident0 Ų070 Ų700%042%0.415CS..EExtended strand (participates in β ladder)trans-116.1129.3178.9-66.8177.556.100110V662 M664 F673 I704 E706 V707 V733 V737V662-M735 PolarHBondContact N-O 3.44Å; V662-M735 PolarHBondContact O-N 3.29Å; M664-M735 HydrophobicContact CE-CG 4.43Å; M664-M735 HydrophobicContact CE-SD 3.64Å; M664-M735 HydrophobicContact SD-SD 3.86Å; F673-M735 HydrophobicContact CE1-CE 4.47Å; F673-M735 HydrophobicContact CE1-SD 4.14Å; F673-M735 HydrophobicContact CE2-CE 4.2Å; F673-M735 HydrophobicContact CZ-CE 3.67Å; F673-M735 HydrophobicContact CZ-SD 3.8Å; I704-M735 HydrophobicContact CB-CE 4.3Å; I704-M735 HydrophobicContact CD1-CE 3.55Å; I704-M735 HydrophobicContact CG1-CE 3.66Å; I704-M735 HydrophobicContact CG2-CE 3.63Å; E706-M735 CarbonylContact O-C 3.57Å; E706-M735 VanDerWaalsContact O-CA 3.29Å; E706-M735 WeakPolarHBondContact O-CA 3.24Å; V707-M735 HydrophobicContact CG1-CG 4.5Å; V707-M735 HydrophobicContact CG2-CG 4.3Å; V733-M735 HydrophobicContact CG1-CG 4.21Å; V733-M735 HydrophobicContact CG1-SD 4.23Å; V733-M735 HydrophobicContact CG2-CG 4.19Å; M735-V737 HydrophobicContact CB-CG1 4.28Å
736L88.3Confident69.4Low40 Ų4076.1 Ų76.121%0.20943%0.433CS..EExtended strand (participates in β ladder)trans-91.5124.6168.2-17168.5000107.9L659 I705 E706L659-L736 HydrophobicContact CB-CD1 4.28Å; L659-L736 HydrophobicContact CD2-CD2 4.41Å; L659-L736 HydrophobicContact CD2-CG 4.4Å; I705-L736 WeakPolarHBondContact CA-O 3.48Å; I705-L736 HydrophobicContact CB-CB 4.46Å; I705-L736 HydrophobicContact CB-CD2 4.44Å; I705-L736 HydrophobicContact CB-CG 4.42Å; I705-L736 WeakPolarHBondContact CB-O 3.38Å; I705-L736 HydrophobicContact CG2-CD2 4.26Å; I705-L736 PolarHBondContact N-O 3.32Å; E706-L736 HydrophobicContact CB-CB 3.91Å; E706-L736 HydrophobicContact CG-CB 4.12Å; E706-L736 HydrophobicContact CG-CD2 4.17Å; E706-L736 PolarHBondContact N-O 3.11Å; E706-L736 VanDerWaalsContact N-O 3.12Å; E706-L736 PolarHBondContact O-N 3.27Å
737V91.8Very high66.7Low0 Ų074.1 Ų74.10%044%0.437CS..EExtended strand (participates in β ladder)trans-128.4145.6-178.8-49.30000111.8I660 V662 L698 D702 I703 I704 M735I660-V737 HydrophobicContact CB-CG2 4.24Å; I660-V737 PolarHBondContact N-O 2.9Å; I660-V737 PolarHBondContact O-N 3.09Å; V662-V737 HydrophobicContact CG2-CG2 3.93Å; L698-V737 HydrophobicContact CD1-CG1 3.89Å; L698-V737 HydrophobicContact CD1-CG2 4.43Å; D702-V737 HydrophobicContact CB-CB 4.01Å; D702-V737 HydrophobicContact CB-CG2 3.89Å; I703-V737 CarbonylContact O-C 3.56Å; I703-V737 VanDerWaalsContact O-CA 3.22Å; I703-V737 WeakPolarHBondContact O-CA 3.28Å; I704-V737 HydrophobicContact CG1-CG1 4.37Å; M735-V737 HydrophobicContact CB-CG1 4.28Å
738Q87.3Confident64.1Low37 Ų3779 Ų7917%0.17347%0.471CS..EExtended strand (participates in β ladder)trans-101.9127.6179.9-173.9-177.1-3400110.2P657 E658 L659 I703 I705P657-Q738 HydrophobicContact CB-CG 3.68Å; P657-Q738 VanDerWaalsContact CB-NE2 3.28Å; P657-Q738 HydrophobicContact CG-CG 4.45Å; E658-Q738 CarbonylContact O-C 3.53Å; E658-Q738 WeakPolarHBondContact O-CA 3.49Å; L659-Q738 HydrophobicContact CD2-CB 3.89Å; L659-Q738 HydrophobicContact CD2-CG 4.22Å; I703-Q738 HydrophobicContact CB-CB 4.4Å; I703-Q738 PolarHBondContact N-O 3.49Å; I703-Q738 PolarHBondContact O-N 3.14Å; I705-Q738 HydrophobicContact CD1-CB 3.67Å; I705-Q738 HydrophobicContact CG1-CB 3.75Å
739R85.8Confident61.7Low46 Ų4684.5 Ų84.517%0.17449%0.485CS..EExtended strand (participates in β ladder)trans-119.2141.7-177.9-172.1171.3-69156.74.7110.6P657 E658 I660 G697 D702P657-R739 CarbonylContact C-O 3.58Å; P657-R739 WeakPolarHBondContact CA-O 3.31Å; E658-R739 PolarHBondContact N-O 2.85Å; E658-R739 PolarHBondContact O-N 3.2Å; I660-R739 HydrophobicContact CD1-CB 3.86Å; I660-R739 HydrophobicContact CD1-CG 4.39Å; I660-R739 VanDerWaalsContact CD1-CZ 3.49Å; G697-R739 PolarHBondContact O-NH2 2.85Å; D702-R739 IonicContact OD1-CZ 2.71Å; D702-R739 IonicContact OD1-NE 3.2Å; D702-R739 PolarHBondContact OD1-NE 3.48Å; D702-R739 IonicContact OD1-NH2 3.8Å; D702-R739 PolarHBondContact OD1-NH2 3.38Å; D702-R739 IonicContact OD2-CZ 3.71Å; D702-R739 IonicContact OD2-NE 2.81Å; D702-R739 IonicContact OD2-NH2 3.65Å; D702-R739 PolarHBondContact OD2-NH2 3.49Å
740G67.2Low59.2Low56 Ų5686.1 Ų86.158%0.57750%0.5SS*.SBendtrans103.5170.2-176.700000114.2A742G740-A742 PolarHBondContact O-N 2.87Å
741V51.9Low56.9Low141 Ų14191.1 Ų91.186%0.85551%0.514SS*.  trans-79.6119.7-172.4-177.60000111
742A33.8Very low54.3Low56 Ų5697.6 Ų97.646%0.46355%0.545SS..  trans-73.3129.8173.500000111.5G740 A744G740-A742 PolarHBondContact O-N 2.87Å; A742-A744 PolarHBondContact O-N 2.82Å
743P32.1Very low51.7Low108 Ų10899.9 Ų99.970%0.70155%0.553SS**  trans-80.598.7-174.730.7-35.1000113.1K745P743-K745 PolarHBondContact O-N 2.92Å
744A27.8Very low48.7Very low104 Ų104107.2 Ų107.286%0.8659%0.587SS**  trans-78.273.8177.700000113.5A742 K746A742-A744 PolarHBondContact O-N 2.82Å; A744-K746 PolarHBondContact O-N 3.32Å
745K30.2Very low46Very low188 Ų188113.4 Ų113.482%0.81762%0.618SS**  trans-84.5103.2173.7-84.1-173.7178.6173.80113.2P743P743-K745 PolarHBondContact O-N 2.92Å
746K30Very low42.8Very low199 Ų199117.8 Ų117.887%0.86565%0.649SS**  trans66.1128.8150.5-58.8-174.5178.6-177.10118.7A744A744-K746 PolarHBondContact O-N 3.32Å
747S26.4Very low39.9Very low104 Ų104127.4 Ų127.473%0.72768%0.682SS**PPolyproline II helixtrans-56.5143.4175.354.50000115.9
748P27.6Very low36.8Very low128 Ų128135.9 Ų135.983%0.83172%0.719SS**PPolyproline II helixtrans-85.4122.315729.1-21.3000111.1
749K29.4Very low33.9Very low199 Ų199140.2 Ų140.287%0.86574%0.743SS**PPolyproline II helixtrans-79.3159.4155.3-87.5-175.8174.9179.50109.2L751K749-L751 PolarHBondContact O-N 3.23Å
750L27.8Very low31.2Very low169 Ų169142.6 Ų142.689%0.88577%0.767SS**PPolyproline II helixtrans-47129.4179.4-62.1168.8000112.7I752L750-I752 PolarHBondContact O-N 2.89Å
751L27.4Very low29.4Very low155 Ų155148.9 Ų148.981%0.81278%0.782SS**  trans-89.6100.2171.6-168.3157.1000109.4K749 K753K749-L751 PolarHBondContact O-N 3.23Å; L751-K753 HydrophobicContact CD2-CB 3.93Å
752I26.5Very low28.1Very low160 Ų160148.1 Ų148.182%0.82178%0.782SS**  trans-85.8121.5160.5-68.2-179.8000107.9L750L750-I752 PolarHBondContact O-N 2.89Å
753K27.8Very low27.8Very low164 Ų164150 Ų15071%0.71379%0.792SS**  trans-89.7121.9-174.2172.5-170.9177.8-1770110.8L751L751-K753 HydrophobicContact CD2-CB 3.93Å
754Q25.8Very low27.7Very low154 Ų154149.5 Ų149.572%0.7279%0.791SS**  trans-147.7112.1147.4-86.4-49.1-67.400112.2
755L30Very low27.7Very low173 Ų173152.1 Ų152.191%0.90679%0.786SS**  trans-119.7127.5146.7-89.3168.6000105
756S25Very low27.7Very low93 Ų93151.5 Ų151.565%0.6579%0.785SS**  trans-132.2119.8-172.967.40000113.2
757R27Very low27.5Very low242 Ų242145.8 Ų145.891%0.91377%0.77SS**  trans-154.4112.2143.7-100.1162.7-170.3-164.31.6103.9
758K25.7Very low27.5Very low177 Ų177147.7 Ų147.777%0.7778%0.777SS**  79.6117.597.1-177.6175.6176.8-1770109.1
759D27.4Very low27.4Very low128 Ų128146.4 Ų146.468%0.68477%0.771SS**  -145.7176.552.8-102.1-53.3000116.8
760S29.4Very low27.3Very low97 Ų97141.4 Ų141.468%0.67876%0.761SS**  trans79.993.9152.6-64.90000124.1
761Q29.1Very low27.4Very low188 Ų188141.4 Ų141.488%0.87976%0.757SS**  73.5138.4123.9-68.5-176.1-23.700124.6
762S24.4Very low27.3Very low124 Ų124145 Ų14587%0.86776%0.759SS**  trans74.2129.1161.1-127.10000117.8
763S27.1Very low27.7Very low96 Ų96142.2 Ų142.267%0.67175%0.754SS**  cis-158155.7-4.8-179.20000111.4
764S29.1Very low27.7Very low97 Ų97137.6 Ų137.668%0.67875%0.746SS**  trans45.8140.4147.255.20000122.7
765Q29.3Very low27.9Very low160 Ų160138.8 Ų138.875%0.74875%0.751SS**  cis-177.6149.1-19.6-129.6178.40.100109.6
766H29.3Very low27.8Very low175 Ų175136.3 Ų136.381%0.8174%0.744SS**  trans63.8150158.6-65.1-54.5000119.7
767S27Very low27.8Very low79 Ų79139.2 Ų139.255%0.55275%0.752SS**  cis-165.7163.2-9.9-108.80000111.7
768V24.9Very low27.8Very low143 Ų143132.8 Ų132.887%0.86774%0.744SS**  trans55147.3164.9-61.90000118.5
769S26.5Very low29.5Very low101 Ų101129.8 Ų129.871%0.70674%0.743SS**  cis-154.9-169.7-24.864.90000106.7
770S26.3Very low29.5Very low94 Ų94129.6 Ų129.666%0.65775%0.746SS**  cis-157.9-161.318.6-138.30000113.6
771H30.2Very low29.5Very low170 Ų170133.4 Ų133.479%0.78775%0.753SS**  trans-104.1172.6-170.1-47.4-76.6000111.9
772R26.5Very low29.3Very low230 Ų230129.7 Ų129.787%0.86875%0.748SS**  cis-138.5159.520.9-77.5179.7166.4-146.8-2.4109.8
773S34.4Very low29.4Very low101 Ų101128.8 Ų128.871%0.70674%0.742SS**  cis89.4143.328.394.60000116.3
774A27.6Very low29.6Very low67 Ų67132.2 Ų132.255%0.55475%0.751SS**  cis178.8174.4-22.300000112
775H29.9Very low29.5Very low179 Ų179132.2 Ų132.283%0.82976%0.757SS**  trans74.2167.2160.7-43-68.3000118
776T28.8Very low29.9Very low121 Ų121129.1 Ų129.174%0.74276%0.759SS**  cis-147.3143.714.250.20000115.6
777D24.1Very low30.8Very low154 Ų154126.1 Ų126.182%0.82476%0.755SS**  trans54.9171.5138.3-71.1-75.4000127.6
778S25.9Very low30.8Very low108 Ų108129.8 Ų129.876%0.75577%0.767SS**  trans-131.1-146.9-169.8-47.60000110.9
779P63.1Low31.1Very low113 Ų113127.5 Ų127.573%0.73476%0.758SS**  cis-130.5-175-39.636-17.8000113.6
780V26.9Very low31.3Very low125 Ų125130.9 Ų130.976%0.75876%0.763SS**  155.6138.4128.6-77.50000118.6
781H29.1Very low31.7Very low176 Ų176131.2 Ų131.282%0.81577%0.765SS**  trans55.5159.2146.8-79.3-79.6000122.5
782S25.6Very low31.5Very low110 Ų110126.2 Ų126.277%0.76976%0.76SS**  cis-155.7-167.42.4-126.30000113.7
783S26.7Very low31.8Very low106 Ų106121.7 Ų121.774%0.74176%0.757SS**  trans-132.1-169.3-166.560.50000116.9
784L31Very low33.2Very low168 Ų168122.3 Ų122.388%0.8876%0.759SS**  trans96.7154.5178.7-58.5178.1000116.2
785A27.4Very low34.6Very low97 Ų97125.2 Ų125.280%0.80277%0.772SS**  cis-163.5-160.4-14.800000112.4
786A37.4Very low34.7Very low94 Ų94121 Ų12178%0.77777%0.768SS**  trans-153.4-169.1-176.200000110.4
787P47.7Very low35.8Very low112 Ų112120.6 Ų120.673%0.72777%0.768SS**  cis-146.1-158.54.845.8-23.8000117.2
788L27Very low36.2Very low156 Ų156118.1 Ų118.182%0.81776%0.763SS**  trans76.3112154.9-75.7169.3000124.6
789S31.5Very low36.7Very low96 Ų96121.9 Ų121.967%0.67177%0.768SS**  trans29137.9132.262.40000126.2
790E29.5Very low36.8Very low172 Ų172121.5 Ų121.580%0.80477%0.766SS**  trans-175.7-178.2133.2-95.2-5985.900108.9
791S35.3Very low37.1Very low100 Ų100123.9 Ų123.970%0.69977%0.773SS**  -155.4178-75.263.60000112.5
792G26.6Very low37.6Very low66 Ų66121.3 Ų121.368%0.6877%0.772SS**  trans143.4132.7174.500000115.5
793T32.2Very low37.5Very low134 Ų134119.4 Ų119.482%0.82277%0.77SS**  trans-157.4-171.2-162.254.30000113
794P64.2Low37.8Very low115 Ų115122.3 Ų122.375%0.74778%0.776SS**  cis-124.4-153.1-42.834.4-13.7000110.3
795P56.6Low37.8Very low127 Ų127118.7 Ų118.783%0.82576%0.763SS**  cis-130.4-169.4-8.742.5-23.3000116.2
796A32.9Very low38Very low90 Ų90119.5 Ų119.574%0.74476%0.763SS**  trans-110.9-170.4-177.900000113.3
797P50.8Low37.4Very low113 Ų113122.4 Ų122.473%0.73476%0.76SS**  -157.8164.585.643.9-24.9000119.4
798S33.5Very low36.1Very low102 Ų102123.3 Ų123.371%0.71376%0.759SS**  trans46151.1138.565.20000124
799Q35.7Very low36.2Very low188 Ų188120.7 Ų120.788%0.87975%0.754SS**  cis-166.9172.6-15.8-106.6-133.2-30.500110.2
800P65.3Low35.9Very low104 Ų104125.6 Ų125.668%0.67577%0.766SS**  trans-108.3157-162.340-34.2000117
801L32.6Very low35.7Very low176 Ų176120.9 Ų120.992%0.92176%0.764SS**  trans-165.7-175.8163.7-100.6166000109.1
802P40Very low35.3Very low121 Ų121124.1 Ų124.179%0.78677%0.774SS**  trans-119.8-172.8-154.146-37.5000115.3
803G24.3Very low35.4Very low71 Ų71124.1 Ų124.173%0.73277%0.773SS**  trans139.8153.1146.300000117.9
804L32Very low35.4Very low166 Ų166123 Ų12387%0.86977%0.767SS**  trans-64.5152146.4-97.1137.2000108.2
805P30.6Very low33.9Very low93 Ų93124 Ų12460%0.60477%0.771SS**  -146.4-177.458.742.9-25.5000116.4Q807P805-Q807 HydrophobicContact CG-CB 4.2Å; P805-Q807 HydrophobicContact CG-CG 4.04Å
806S32.9Very low32.8Very low114 Ų114126.8 Ų126.880%0.79777%0.772SS**  trans-73.9114.8151-44.60000109.2
807Q23.8Very low32.7Very low154 Ų154134 Ų13472%0.7278%0.78SS**  trans-158147.2168.9-88.9-154.9-77.500110.2P805P805-Q807 HydrophobicContact CG-CB 4.2Å; P805-Q807 HydrophobicContact CG-CG 4.04Å
808D21.4Very low31.9Very low132 Ų132138.2 Ų138.271%0.70679%0.787SS**  cis-150.5171.9-18.4-141.7-32.2000110.7
809S28.5Very low32.3Very low100 Ų100138.1 Ų138.170%0.69978%0.784SS**  trans-86.8176.7172.5-63.60000112.4
810Q24.7Very low32.4Very low199 Ų199133 Ų13393%0.9376%0.763SS**  trans82.1108.4170.6-50.4-173.1-4.500115.8
811G25.4Very low31.2Very low74 Ų74132.7 Ų132.776%0.76376%0.76SS**  cis162.3-158.3-7.800000115.5
812D26.5Very low31.7Very low168 Ų168131.7 Ų131.790%0.89875%0.749SS**  trans71164.8176.4-148.6-2.1000116.4
813G30.1Very low31.6Very low65 Ų65133.4 Ų133.467%0.6774%0.744SS**  trans111.628.3175.200000117.7
814T31.9Very low32.5Very low112 Ų112135 Ų13569%0.68774%0.735SS**  trans4.7129.9157.658.80000121.1
815T33.1Very low32.8Very low136 Ų136134.4 Ų134.483%0.83472%0.721SS**  150.1144.8122.451.90000116.1
816H32.1Very low33.2Very low184 Ų184132.7 Ų132.785%0.85272%0.715SS**  trans-14.6124.3177-78.4-95.3000121.3
817R30.7Very low33.2Very low242 Ų242134.4 Ų134.491%0.91371%0.71SS**  trans-104.9150.2143.1-84.3-66.5-168-168.62.2110.9
818K35Very low33.9Very low201 Ų201130.5 Ų130.587%0.87470%0.7SS**PPolyproline II helixtrans-73.6146.5-174-65.4176.2177.5177.60111.7
819P40.8Very low34.8Very low100 Ų100131.7 Ų131.765%0.64969%0.694SS**PPolyproline II helixtrans-61.3152.9166.2-21.733.8000112.8
820D39Very low35.3Very low81 Ų81130.4 Ų130.443%0.43369%0.685SS.*PPolyproline II helixtrans-60.1127.3175.9167.517000112.4F822 K823D820-F822 PolarHBondContact O-N 2.87Å; D820-F822 PolarHBondContact OD1-N 2.92Å; D820-K823 PolarHBondContact O-N 2.68Å
821P39.6Very low35.8Very low97 Ų97127.5 Ų127.563%0.6367%0.674SS**Hα-helixtrans-50.3-34.8174.9-2936000115.1K823 I824 W825P821-K823 VanDerWaalsContact C-N 3.33Å; P821-K823 PolarHBondContact O-N 2.85Å; P821-I824 PolarHBondContact O-N 2.81Å; P821-W825 PolarHBondContact O-N 2.74Å
822F43.3Very low36.3Very low156 Ų156133.9 Ų133.968%0.68468%0.676SS**Hα-helixtrans-66.3-33.7-177.9-89.6-91000113D820 W825 A826D820-F822 PolarHBondContact O-N 2.87Å; D820-F822 PolarHBondContact OD1-N 2.92Å; F822-W825 PolarHBondContact O-N 2.87Å; F822-A826 WeakPolarHBondContact O-CB 3.33Å; F822-A826 PolarHBondContact O-N 3.44Å
823K39Very low36.7Very low156 Ų156133.8 Ų133.868%0.67867%0.671SS**Hα-helixtrans-70.4-36.6174.2-71.5-170.3175.8-177.20112.1D820 P821 Q827D820-K823 PolarHBondContact O-N 2.68Å; P821-K823 VanDerWaalsContact C-N 3.33Å; P821-K823 PolarHBondContact O-N 2.85Å; K823-Q827 VanDerWaalsContact O-CB 3.3Å; K823-Q827 WeakPolarHBondContact O-CB 3.47Å; K823-Q827 PolarHBondContact O-N 2.91Å; K823-Q827 VanDerWaalsContact O-N 3.08Å
824I41.8Very low36.6Very low105 Ų105135.1 Ų135.154%0.53867%0.67SS.*Hα-helixtrans-65.6-43.2175.1-58.1177.4000110.2P821 S828P821-I824 PolarHBondContact O-N 2.81Å; I824-S828 WeakPolarHBondContact O-CB 3.31Å; I824-S828 PolarHBondContact O-N 3.25Å
825W39.5Very low36.7Very low154 Ų154139.6 Ų139.658%0.58367%0.674SS**Hα-helixtrans-62.7-47.7178.1-172.788000112.6P821 F822 S828 R829P821-W825 PolarHBondContact O-N 2.74Å; F822-W825 PolarHBondContact O-N 2.87Å; W825-S828 PolarHBondContact O-N 3.09Å; W825-R829 WeakPolarHBondContact O-CB 3.43Å; W825-R829 PolarHBondContact O-N 3.11Å
826A39.1Very low36.5Very low57 Ų57141.7 Ų141.747%0.47167%0.674SS.*Hα-helixtrans-62.1-44.817800000112.4F822 R829 S830F822-A826 WeakPolarHBondContact O-CB 3.33Å; F822-A826 PolarHBondContact O-N 3.44Å; A826-R829 PolarHBondContact O-N 3.41Å; A826-S830 PolarHBondContact O-N 2.85Å
827Q32.8Very low36.6Very low149 Ų149139.5 Ų139.570%0.69667%0.673SS**Hα-helixtrans-65.4-39.1178-163.5100.946.900111.9K823 M831K823-Q827 VanDerWaalsContact O-CB 3.3Å; K823-Q827 WeakPolarHBondContact O-CB 3.47Å; K823-Q827 PolarHBondContact O-N 2.91Å; K823-Q827 VanDerWaalsContact O-N 3.08Å; Q827-M831 PolarHBondContact O-N 3.45Å
828S37.6Very low36.8Very low73 Ų73134.1 Ų134.151%0.5167%0.667SS.*Hα-helixtrans-68-39.4178.8-169.80000112.2I824 W825 M831 Y832I824-S828 WeakPolarHBondContact O-CB 3.31Å; I824-S828 PolarHBondContact O-N 3.25Å; W825-S828 PolarHBondContact O-N 3.09Å; S828-M831 PolarHBondContact O-N 2.86Å; S828-Y832 PolarHBondContact O-N 2.89Å
829R41.4Very low37.4Very low156 Ų156130 Ų13059%0.58966%0.658SS**Hα-helixtrans-63.9-44.5179.8-161.3173.5-171.5115.27112.5W825 A826 M831 Y832 E833W825-R829 WeakPolarHBondContact O-CB 3.43Å; W825-R829 PolarHBondContact O-N 3.11Å; A826-R829 PolarHBondContact O-N 3.41Å; R829-M831 VanDerWaalsContact C-N 3.3Å; R829-M831 PolarHBondContact O-N 3.38Å; R829-Y832 PolarHBondContact O-N 2.94Å; R829-Y832 VanDerWaalsContact O-N 3.14Å; R829-E833 PolarHBondContact O-N 3Å
830S38Very low37.8Very low73 Ų73130.4 Ų130.451%0.5166%0.661SS.*Hα-helixtrans-62.6-33.8178.3178.40000113.4A826 Y832 S834A826-S830 PolarHBondContact O-N 2.85Å; S830-Y832 VanDerWaalsContact C-N 3.32Å; S830-Y832 PolarHBondContact O-N 3.25Å; S830-S834 PolarHBondContact O-OG 2.73Å
831M35.3Very low38.3Very low139 Ų139131 Ų13169%0.68566%0.664SS**Hα-helixtrans-73.2-21.3176.5-74.6-71.1-73.300113.8Q827 S828 R829Q827-M831 PolarHBondContact O-N 3.45Å; S828-M831 PolarHBondContact O-N 2.86Å; R829-M831 VanDerWaalsContact C-N 3.3Å; R829-M831 PolarHBondContact O-N 3.38Å
832Y36.4Very low39.4Very low207 Ų207130.7 Ų130.781%0.81265%0.653SS**Hα-helixtrans-86.8-26-179.9-132.7-86000113.1S828 R829 S830S828-Y832 PolarHBondContact O-N 2.89Å; R829-Y832 PolarHBondContact O-N 2.94Å; R829-Y832 VanDerWaalsContact O-N 3.14Å; S830-Y832 VanDerWaalsContact C-N 3.32Å; S830-Y832 PolarHBondContact O-N 3.25Å
833E35.2Very low40.8Very low167 Ų167128.3 Ų128.378%0.7864%0.644SS**Hα-helixtrans-83.1-27.8179.3-162.4157.6-134.100112.2R829 R835R829-E833 PolarHBondContact O-N 3Å; E833-R835 PolarHBondContact O-N 3.12Å
834S27.4Very low43Very low93 Ų93126.3 Ų126.365%0.6564%0.637SS**SBendtrans-7611.1-176-57.70000115.4S830S830-S834 PolarHBondContact O-OG 2.73Å
835R33Very low45.1Very low206 Ų206124.6 Ų124.678%0.77763%0.627SS**SBendtrans-143.769.1174.6-96.7-162.5-75.8-170.3-5.4113.4E833E833-R835 PolarHBondContact O-N 3.12Å
836H29.7Very low47.6Very low180 Ų180121.3 Ų121.383%0.83362%0.621SS**  trans-163.587.4135.4-105.9-70.1000111.7
837V33.5Very low50.1Low138 Ų138118.6 Ų118.684%0.83660%0.599SS**  trans-111.3107.2163.31750000108.5
838T35.3Very low53Low128 Ų128115 Ų11579%0.78558%0.581SS**  trans-167.577.5159.70.20000109.7
839V47.8Very low55.6Low114 Ų114111.7 Ų111.769%0.69156%0.557SS**  trans-69.9150.8158.4-146.90000107.6
840P48.6Very low57.8Low109 Ų109112.5 Ų112.571%0.70856%0.561SS**  -157.997.5105.936.4-14.7000115.1
841D49.4Very low60.2Low94 Ų94114.6 Ų114.650%0.50356%0.557SS.*SBendtrans-121.8-18.7164-103.3-49000113K929 T930D841-K929 WeakPolarHBondContact O-CA 3.31Å; D841-K929 WeakPolarHBondContact O-CG 3.37Å; D841-T930 VanDerWaalsContact C-OG1 3.3Å; D841-T930 PolarHBondContact O-N 2.83Å; D841-T930 PolarHBondContact O-OG1 3.42Å
842F63.3Low62.5Low91 Ų91110.9 Ų110.940%0.39954%0.537SS..EExtended strand (participates in β ladder)trans-137.3132.9-176.9-62.9-83.6000110.2R927 R928 K929F842-R927 HydrophobicContact CB-CG 3.73Å; F842-R927 HydrophobicContact CD1-CG 3.78Å; F842-R927 HydrophobicContact CG-CG 4.07Å; F842-R928 WeakPolarHBondContact CA-O 3.22Å; F842-K929 HydrophobicContact CD1-CB 3.9Å; F842-K929 HydrophobicContact CD1-CG 4.12Å; F842-K929 HydrophobicContact CE1-CB 3.76Å; F842-K929 HydrophobicContact CE1-CD 4.06Å; F842-K929 HydrophobicContact CE1-CG 3.8Å; F842-K929 HydrophobicContact CZ-CD 4.24Å; F842-K929 HydrophobicContact CZ-CG 4.29Å
843Q72.2Confident64.4Low105 Ų105109.3 Ų109.349%0.49154%0.543SS..EExtended strand (participates in β ladder)trans-107118171.3-175.7172.836.800108.6R928 T930Q843-R928 PolarHBondContact N-O 3.08Å; Q843-R928 PolarHBondContact O-N 3.49Å; Q843-T930 HydrophobicContact CB-CG2 4.31Å
844E85.9Confident66.2Low115 Ų115106 Ų10654%0.53753%0.534SS..EExtended strand (participates in β ladder)trans-87.4141.6170.4-69-178.7177.800110.1V926 R927E844-V926 CarbonylContact C-O 3.57Å; E844-V926 VanDerWaalsContact CA-O 3.31Å; E844-V926 WeakPolarHBondContact CA-O 3.34Å; E844-R927 HydrophobicContact CG-CB 3.97Å; E844-R927 HydrophobicContact CG-CG 3.97Å
845Q86.6Confident69.1Low69 Ų69102.4 Ų102.432%0.32251%0.512SS..EExtended strand (participates in β ladder)trans-145.5120-171.4177.263.978.100109.6I847 V926Q845-I847 HydrophobicContact CG-CD1 4.02Å; Q845-I847 HydrophobicContact CG-CG1 3.73Å; Q845-V926 HydrophobicContact CB-CG2 4.32Å; Q845-V926 PolarHBondContact N-O 2.85Å; Q845-V926 PolarHBondContact O-N 3.24Å
846D90.3Very high71.9Confident85 Ų8593.4 Ų93.446%0.45548%0.479SS..EExtended strand (participates in β ladder)trans-80.1133.8168.6-65.6-49.6000110.8L924 T925D846-L924 CarbonylContact C-O 3.56Å; D846-L924 WeakPolarHBondContact CA-O 3.21Å; D846-T925 VanDerWaalsContact OD1-CB 3.32Å; D846-T925 WeakPolarHBondContact OD1-CB 3.46Å; D846-T925 WeakPolarHBondContact OD1-CG2 3.41Å; D846-T925 PolarHBondContact OD1-OG1 3.34Å
847I93.4Very high74.7Confident0 Ų085.1 Ų85.10%044%0.442CS..EExtended strand (participates in β ladder)trans-136108-174.1-55179000108.8Q845 L849 D884 R886 L887 L924 V926Q845-I847 HydrophobicContact CG-CD1 4.02Å; Q845-I847 HydrophobicContact CG-CG1 3.73Å; I847-L849 HydrophobicContact CG2-CD2 3.83Å; I847-L849 HydrophobicContact CG2-CG 4.04Å; I847-D884 WeakPolarHBondContact CG2-OD2 3.09Å; I847-R886 HydrophobicContact CD1-CB 3.98Å; I847-R886 HydrophobicContact CG1-CB 4.17Å; I847-R886 HydrophobicContact CG2-CB 4.4Å; I847-L887 HydrophobicContact CD1-CB 3.98Å; I847-L887 HydrophobicContact CD1-CD1 3.65Å; I847-L887 HydrophobicContact CD1-CG 4.45Å; I847-L924 PolarHBondContact N-O 2.95Å; I847-L924 PolarHBondContact O-N 3.23Å; I847-V926 HydrophobicContact CD1-CG2 3.59Å; I847-V926 HydrophobicContact CG1-CG2 4.34Å
848F92.4Very high77.6Confident74 Ų7480 Ų8033%0.32541%0.408SS..EExtended strand (participates in β ladder)trans-92.9118.7176.6-169-80.3000110.4W850 R886 H921 V922 N923F848-W850 AromaticContact CE1-CD2 3.96Å; F848-W850 HydrophobicContact CE1-CD2 3.96Å; F848-W850 AromaticContact CE1-CE2 3.56Å; F848-W850 HydrophobicContact CE1-CG 4.3Å; F848-W850 HydrophobicContact CE1-CH2 4.4Å; F848-W850 AromaticContact CE1-CZ2 3.82Å; F848-W850 HydrophobicContact CE1-CZ2 3.82Å; F848-W850 AromaticContact CE1-NE1 3.68Å; F848-W850 HydrophobicContact CZ-CZ2 4.27Å; F848-R886 PolarHBondContact O-NH2 3.02Å; F848-H921 HydrophobicContact CE1-CB 3.65Å; F848-H921 HydrophobicContact CE2-CB 4.26Å; F848-H921 HydrophobicContact CZ-CB 3.41Å; F848-H921 VanDerWaalsContact CZ-CB 3.41Å; F848-H921 AromaticContact CZ-CD2 3.87Å; F848-H921 AromaticContact CZ-CG 3.44Å; F848-H921 VanDerWaalsContact CZ-CG 3.44Å; F848-H921 AromaticContact CZ-ND1 3.91Å; F848-V922 CarbonylContact C-O 3.53Å; F848-V922 WeakPolarHBondContact CA-O 3.46Å; F848-N923 HydrophobicContact CD2-CB 4.01Å
849L92.3Very high80.2Confident3 Ų381.9 Ų81.92%0.01640%0.401CS..EExtended strand (participates in β ladder)trans-116.5123.8-179.6-59.1178.6000111.1I847 F856 F858 A881 D884 L887 H921 V922 L924I847-L849 HydrophobicContact CG2-CD2 3.83Å; I847-L849 HydrophobicContact CG2-CG 4.04Å; L849-F856 HydrophobicContact CB-CD1 4.13Å; L849-F856 WeakPolarHBondContact O-CE1 3.41Å; L849-F858 HydrophobicContact CD1-CD1 4.16Å; L849-F858 HydrophobicContact CD1-CE1 3.88Å; L849-A881 HydrophobicContact CD1-CB 3.9Å; L849-D884 HydrophobicContact CD2-CB 3.43Å; L849-D884 VanDerWaalsContact CD2-CB 3.43Å; L849-L887 HydrophobicContact CD1-CD2 4.36Å; L849-H921 CarbonylContact O-C 3.54Å; L849-H921 VanDerWaalsContact O-CA 3.26Å; L849-H921 WeakPolarHBondContact O-CA 3.49Å; L849-V922 HydrophobicContact CB-CG1 4.04Å; L849-V922 PolarHBondContact N-O 2.91Å; L849-V922 PolarHBondContact O-N 3.42Å; L849-L924 HydrophobicContact CD1-CD1 3.92Å
850W88.3Confident82.2Confident173 Ų17377.6 Ų77.666%0.65537%0.374SS*.EExtended strand (participates in β ladder)trans-74.6136.1166.8-69.598.7000110.5F848 K852 A880 H921F848-W850 AromaticContact CE1-CD2 3.96Å; F848-W850 HydrophobicContact CE1-CD2 3.96Å; F848-W850 AromaticContact CE1-CE2 3.56Å; F848-W850 HydrophobicContact CE1-CG 4.3Å; F848-W850 HydrophobicContact CE1-CH2 4.4Å; F848-W850 AromaticContact CE1-CZ2 3.82Å; F848-W850 HydrophobicContact CE1-CZ2 3.82Å; F848-W850 AromaticContact CE1-NE1 3.68Å; F848-W850 HydrophobicContact CZ-CZ2 4.27Å; W850-K852 PolarHBondContact O-N 3.41Å; W850-A880 WeakPolarHBondContact O-CB 3.42Å; W850-H921 HydrophobicContact CD2-CB 4.4Å; W850-H921 HydrophobicContact CE3-CB 3.92Å; W850-H921 HydrophobicContact CZ3-CB 4.13Å; W850-H921 AromaticContact CZ3-CD2 3.85Å
851R87.9Confident84Confident116 Ų11676.5 Ų76.544%0.43836%0.362SS..  trans-70.1129.5176.9-179.8177.2170.3-170.6-2.8109.9F856 A917 G920R851-F856 HydrophobicContact CB-CD1 4.15Å; R851-F856 HydrophobicContact CB-CE1 3.59Å; R851-F856 HydrophobicContact CB-CZ 4.02Å; R851-F856 HydrophobicContact CG-CE1 4.42Å; R851-A917 WeakPolarHBondContact CD-O 3.49Å; R851-A917 PolarHBondContact NH1-O 2.96Å; R851-G920 VanDerWaalsContact CB-O 3.27Å; R851-G920 WeakPolarHBondContact CB-O 3.28Å; R851-G920 PolarHBondContact N-O 3.14Å
852K83.7Confident85.5Confident62 Ų6273.4 Ų73.427%0.2735%0.352SS..BIsolated β-bridgetrans-99.4176167.6-66.7177.5-178.8172.60110.9W850 T854 G855 G879 A880 E883W850-K852 PolarHBondContact O-N 3.41Å; K852-T854 PolarHBondContact O-N 2.85Å; K852-G855 PolarHBondContact N-O 2.85Å; K852-G855 WeakPolarHBondContact O-CA 3.46Å; K852-G855 PolarHBondContact O-N 3.47Å; K852-G879 PolarHBondContact NZ-O 2.82Å; K852-A880 HydrophobicContact CD-CB 4.08Å; K852-A880 HydrophobicContact CG-CB 4.16Å; K852-E883 IonicContact NZ-OE1 3.71Å; K852-E883 PolarHBondContact NZ-OE1 2.55Å; K852-E883 IonicContact NZ-OE2 3.12Å; K852-E883 PolarHBondContact NZ-OE2 2.86Å
853D75.4Confident85.9Confident173 Ų17369.1 Ų69.193%0.92533%0.333SS*.THydrogen-bonded Turntrans-57.4-31.6173.5-56.9-50.5000112.1G855D853-G855 PolarHBondContact O-N 3.49Å
854T74.6Confident85.8Confident97 Ų9770.6 Ų70.660%0.59535%0.345SS*.THydrogen-bonded Turntrans-80.56.7172.953.60000114.3K852K852-T854 PolarHBondContact O-N 2.85Å
855G86.4Confident84.8Confident19 Ų1971.9 Ų71.920%0.19635%0.351CS..BIsolated β-bridgetrans83.2-148.3-17500000112.9K852 D853K852-G855 PolarHBondContact N-O 2.85Å; K852-G855 WeakPolarHBondContact O-CA 3.46Å; K852-G855 PolarHBondContact O-N 3.47Å; D853-G855 PolarHBondContact O-N 3.49Å
856F92.6Very high83.6Confident16 Ų1673.9 Ų73.97%0.0737%0.37CS..THydrogen-bonded Turntrans-86.4-6.2176.2-61.6-63.6000113.7L849 R851 F858 A881 M913 A916 A917 V922L849-F856 HydrophobicContact CB-CD1 4.13Å; L849-F856 WeakPolarHBondContact O-CE1 3.41Å; R851-F856 HydrophobicContact CB-CD1 4.15Å; R851-F856 HydrophobicContact CB-CE1 3.59Å; R851-F856 HydrophobicContact CB-CZ 4.02Å; R851-F856 HydrophobicContact CG-CE1 4.42Å; F856-F858 HydrophobicContact CB-CD1 4Å; F856-F858 HydrophobicContact CB-CE1 3.71Å; F856-A881 WeakPolarHBondContact O-CB 3.27Å; F856-A881 PolarHBondContact O-N 2.84Å; F856-M913 HydrophobicContact CB-CE 4.46Å; F856-M913 HydrophobicContact CD2-CE 3.49Å; F856-M913 VanDerWaalsContact CD2-CE 3.49Å; F856-M913 HydrophobicContact CE2-CE 4.01Å; F856-M913 HydrophobicContact CG-CE 4.23Å; F856-A916 HydrophobicContact CE2-CB 4.2Å; F856-A916 HydrophobicContact CZ-CB 4.19Å; F856-A917 HydrophobicContact CE2-CB 3.82Å; F856-A917 HydrophobicContact CZ-CB 4.37Å; F856-V922 HydrophobicContact CD1-CB 4.49Å; F856-V922 HydrophobicContact CD1-CG1 3.66Å; F856-V922 HydrophobicContact CD2-CG1 4.13Å; F856-V922 HydrophobicContact CE1-CB 3.95Å; F856-V922 HydrophobicContact CE1-CG1 3.6Å; F856-V922 HydrophobicContact CE2-CB 4.12Å; F856-V922 HydrophobicContact CE2-CG1 4.06Å; F856-V922 HydrophobicContact CG-CG1 3.93Å; F856-V922 HydrophobicContact CZ-CB 3.74Å; F856-V922 HydrophobicContact CZ-CG1 3.8Å
857G88.7Confident82.5Confident6 Ų672.4 Ų72.46%0.06238%0.375CS..SBendtrans74.725.6171.200000116.1V876G857-V876 PolarHBondContact O-N 3.08Å
858F93.4Very high81.8Confident30 Ų3076.4 Ų76.413%0.13239%0.394CS..EExtended strand (participates in β ladder)trans-143.4159.3170.868.2-86000111.9L849 F856 I860 I872 I875 A881 L887 M913 L924L849-F858 HydrophobicContact CD1-CD1 4.16Å; L849-F858 HydrophobicContact CD1-CE1 3.88Å; F856-F858 HydrophobicContact CB-CD1 4Å; F856-F858 HydrophobicContact CB-CE1 3.71Å; F858-I860 HydrophobicContact CD2-CG1 4.15Å; F858-I860 HydrophobicContact CE2-CD1 4.07Å; F858-I860 HydrophobicContact CE2-CG1 3.71Å; F858-I872 HydrophobicContact CB-CG2 4.29Å; F858-I872 HydrophobicContact CD2-CD1 3.8Å; F858-I872 HydrophobicContact CD2-CG2 4.09Å; F858-I872 HydrophobicContact CE2-CD1 3.56Å; F858-I872 HydrophobicContact CG-CG2 4.45Å; F858-I872 HydrophobicContact CZ-CD1 4.37Å; F858-I875 HydrophobicContact CB-CG1 4.02Å; F858-A881 HydrophobicContact CB-CB 4.29Å; F858-A881 HydrophobicContact CD1-CB 4.05Å; F858-L887 HydrophobicContact CB-CD2 4Å; F858-L887 HydrophobicContact CD1-CD2 3.61Å; F858-L887 HydrophobicContact CD2-CD2 4.17Å; F858-L887 HydrophobicContact CE1-CD2 4.06Å; F858-L887 HydrophobicContact CG-CD2 3.67Å; F858-M913 HydrophobicContact CE1-CE 3.9Å; F858-M913 HydrophobicContact CE2-CE 4.31Å; F858-M913 HydrophobicContact CZ-CE 3.42Å; F858-M913 VanDerWaalsContact CZ-CE 3.42Å; F858-M913 HydrophobicContact CZ-SD 4.18Å; F858-L924 HydrophobicContact CE1-CD1 3.64Å; F858-L924 HydrophobicContact CE2-CD1 4.48Å; F858-L924 HydrophobicContact CZ-CD1 3.49Å; F858-L924 VanDerWaalsContact CZ-CD1 3.49Å; F858-L924 HydrophobicContact CZ-CD2 4.36Å
859R90.4Very high81.3Confident168 Ų16875.2 Ų75.263%0.63439%0.393SS*.EExtended strand (participates in β ladder)trans-100152.1171.6-178.5174-67.1-169.50.4110.5L861 G873 H874R859-L861 HydrophobicContact CG-CD2 4.22Å; R859-G873 WeakPolarHBondContact O-CA 3.26Å; R859-G873 PolarHBondContact O-N 2.89Å; R859-H874 PolarHBondContact N-O 3.49Å
860I91.1Very high81.3Confident24 Ų2475.3 Ų75.312%0.12339%0.394CS..EExtended strand (participates in β ladder)trans-107.4142.8172.6-62.3173.6000109F858 I870 L893 V909 M913F858-I860 HydrophobicContact CD2-CG1 4.15Å; F858-I860 HydrophobicContact CE2-CD1 4.07Å; F858-I860 HydrophobicContact CE2-CG1 3.71Å; I860-I870 HydrophobicContact CG2-CG2 3.4Å; I860-I870 VanDerWaalsContact CG2-CG2 3.4Å; I860-L893 HydrophobicContact CD1-CD2 4.41Å; I860-V909 HydrophobicContact CD1-CG1 4.02Å; I860-M913 HydrophobicContact CD1-CG 3.68Å; I860-M913 HydrophobicContact CD1-SD 4.45Å
861L84.6Confident81.5Confident87 Ų8771.5 Ų71.546%0.45538%0.38SS..EExtended strand (participates in β ladder)trans-135.4156.2-178.4-59176.1000110.5R859 Y871 G873R859-L861 HydrophobicContact CG-CD2 4.22Å; L861-Y871 PolarHBondContact N-O 2.9Å; L861-Y871 PolarHBondContact O-N 3.35Å; L861-G873 VanDerWaalsContact CD1-CA 3.45Å
862G82.2Confident81.7Confident29 Ų2966.1 Ų66.130%0.29936%0.36SS..EExtended strand (participates in β ladder)trans73.9177.7-178.300000113.8H906G862-H906 PolarHBondContact O-ND1 3.12Å
863G72.1Confident82Confident0 Ų063.3 Ų63.30%035%0.349CS..  trans84.123.9-178.800000114.4E865 E868 H906G863-E865 PolarHBondContact O-N 3.46Å; G863-E868 PolarHBondContact N-OE2 3.01Å; G863-H906 WeakPolarHBondContact O-CB 3.39Å; G863-H906 PolarHBondContact O-N 2.94Å
864N69.3Low82.6Confident137 Ų13761.1 Ų61.173%0.73333%0.333SS*.SBendtrans-63.2-34.5-179.2-74.4-5.6000110.9E868N864-E868 PolarHBondContact N-OE2 3.12Å
865E64.3Low83.4Confident141 Ų14157.7 Ų57.766%0.65931%0.31SS*.SBendtrans-118.8150.6174.7-64.1-174.3178.100111.8G863 G867 E868G863-E865 PolarHBondContact O-N 3.46Å; E865-G867 PolarHBondContact O-N 3.05Å; E865-E868 PolarHBondContact O-N 3.48Å
866P62.3Low83.5Confident111 Ų11160 Ų6072%0.72132%0.321SS*.THydrogen-bonded Turntrans-63.2117.5177.6-18.532000111.3
867G66Low83Confident55 Ų5565.7 Ų65.757%0.56735%0.345SS*.THydrogen-bonded Turntrans117.7-21.3-176.100000113.9E865 G903E865-G867 PolarHBondContact O-N 3.05Å; G867-G903 PolarHBondContact N-O 3.12Å; G867-G903 VanDerWaalsContact N-O 3.14Å
868E80.5Confident82.7Confident84 Ų8473 Ų7339%0.39337%0.372SS..  trans-67.1142.5172.5-75-163.1132.200111.9G863 N864 E865G863-E868 PolarHBondContact N-OE2 3.01Å; N864-E868 PolarHBondContact N-OE2 3.12Å; E865-E868 PolarHBondContact O-N 3.48Å
869P81.9Confident82.3Confident49 Ų4971.6 Ų71.632%0.31837%0.366SS..  trans-70.3145.7170.229.5-33.7000111.5Y871 E892P869-Y871 HydrophobicContact CB-CE2 3.91Å; P869-Y871 HydrophobicContact CG-CE2 3.72Å; P869-Y871 WeakPolarHBondContact CG-OH 3.49Å; P869-E892 HydrophobicContact CB-CG 4.41Å
870I90.6Very high82.2Confident4 Ų464 Ų642%0.02134%0.338CS..EExtended strand (participates in β ladder)trans-110132-178.8-68.4176.8000108.8I860 E892 L893 K904 V909I860-I870 HydrophobicContact CG2-CG2 3.4Å; I860-I870 VanDerWaalsContact CG2-CG2 3.4Å; I870-E892 CarbonylContact O-C 3.27Å; I870-L893 HydrophobicContact CG2-CB 4.31Å; I870-L893 HydrophobicContact CG2-CD2 4.4Å; I870-L893 PolarHBondContact O-N 2.77Å; I870-K904 WeakPolarHBondContact CD1-O 3.46Å; I870-V909 HydrophobicContact CD1-CB 4.29Å; I870-V909 HydrophobicContact CD1-CG2 3.41Å; I870-V909 VanDerWaalsContact CD1-CG2 3.41Å
871Y92.6Very high82.3Confident94 Ų9462.9 Ų62.937%0.36933%0.333SS..EExtended strand (participates in β ladder)trans-120.7149.2-174-62.4-76.7000112.9L861 P869 G873 D891 E892L861-Y871 PolarHBondContact N-O 2.9Å; L861-Y871 PolarHBondContact O-N 3.35Å; P869-Y871 HydrophobicContact CB-CE2 3.91Å; P869-Y871 HydrophobicContact CG-CE2 3.72Å; P869-Y871 WeakPolarHBondContact CG-OH 3.49Å; Y871-G873 PolarHBondContact O-N 3.11Å; Y871-D891 CarbonylContact C-O 3.58Å; Y871-D891 WeakPolarHBondContact CA-O 3.42Å; Y871-E892 HydrophobicContact CD1-CB 3.9Å; Y871-E892 HydrophobicContact CD1-CG 4.22Å; Y871-E892 HydrophobicContact CE1-CB 3.74Å; Y871-E892 HydrophobicContact CE1-CG 3.84Å
872I93.4Very high82.5Confident2 Ų261.8 Ų61.81%0.0133%0.328CS..EExtended strand (participates in β ladder)trans-70.2115.9165-53.5-59.1000108.3F858 I875 L887 R888 S889 G890 D891 L893 V926F858-I872 HydrophobicContact CB-CG2 4.29Å; F858-I872 HydrophobicContact CD2-CD1 3.8Å; F858-I872 HydrophobicContact CD2-CG2 4.09Å; F858-I872 HydrophobicContact CE2-CD1 3.56Å; F858-I872 HydrophobicContact CG-CG2 4.45Å; F858-I872 HydrophobicContact CZ-CD1 4.37Å; I872-I875 HydrophobicContact CG2-CD1 4.38Å; I872-I875 HydrophobicContact CG2-CG1 4.23Å; I872-L887 HydrophobicContact CD1-CD1 4.11Å; I872-L887 HydrophobicContact CD1-CD2 4.34Å; I872-L887 HydrophobicContact CG1-CD1 3.94Å; I872-L887 HydrophobicContact CG1-CG 4.31Å; I872-L887 HydrophobicContact CG2-CD2 3.87Å; I872-L887 HydrophobicContact CG2-CG 4.02Å; I872-R888 WeakPolarHBondContact CB-O 3.36Å; I872-R888 WeakPolarHBondContact CG2-O 3.32Å; I872-S889 CarbonylContact O-C 3.56Å; I872-S889 WeakPolarHBondContact O-CA 2.81Å; I872-G890 PolarHBondContact O-N 3.33Å; I872-D891 HydrophobicContact CB-CB 4.26Å; I872-D891 HydrophobicContact CG1-CB 3.91Å; I872-D891 PolarHBondContact N-O 3.02Å; I872-L893 HydrophobicContact CD1-CB 4.39Å; I872-L893 HydrophobicContact CD1-CD1 4.47Å; I872-V926 HydrophobicContact CD1-CG1 4.47Å; I872-V926 HydrophobicContact CG1-CG1 4.36Å
873G89.1Confident82.8Confident4 Ų466.7 Ų66.74%0.04134%0.343CS..EExtended strand (participates in β ladder)trans-83.3-147.8172.600000112.5R859 L861 Y871 I875 S889R859-G873 WeakPolarHBondContact O-CA 3.26Å; R859-G873 PolarHBondContact O-N 2.89Å; L861-G873 VanDerWaalsContact CD1-CA 3.45Å; Y871-G873 PolarHBondContact O-N 3.11Å; G873-I875 PolarHBondContact O-N 3.31Å; G873-S889 WeakPolarHBondContact O-CA 3.14Å; G873-S889 VanDerWaalsContact O-CB 3.29Å; G873-S889 WeakPolarHBondContact O-CB 3.33Å; G873-S889 PolarHBondContact O-OG 3.01Å
874H88.6Confident83.6Confident127 Ų12769 Ų6959%0.58836%0.355SS*.EExtended strand (participates in β ladder)trans-55.4124.5179.9-179.9-78.3000112.6R859R859-H874 PolarHBondContact N-O 3.49Å
875I91.4Very high84.4Confident25 Ų2564.8 Ų64.813%0.12834%0.344CS..EExtended strand (participates in β ladder)trans-86.5130.9170.5-66179.7000109.3F858 I872 G873 K877 A881 D882 L887 S889F858-I875 HydrophobicContact CB-CG1 4.02Å; I872-I875 HydrophobicContact CG2-CD1 4.38Å; I872-I875 HydrophobicContact CG2-CG1 4.23Å; G873-I875 PolarHBondContact O-N 3.31Å; I875-K877 PolarHBondContact O-N 3.28Å; I875-A881 HydrophobicContact CG2-CB 4.08Å; I875-D882 HydrophobicContact CG2-CB 3.87Å; I875-L887 VanDerWaalsContact CD1-C 3.47Å; I875-L887 HydrophobicContact CD1-CB 4.1Å; I875-L887 HydrophobicContact CD1-CD2 4.21Å; I875-L887 HydrophobicContact CD1-CG 4.12Å; I875-L887 WeakPolarHBondContact CD1-O 3.47Å; I875-S889 PolarHBondContact N-OG 3.46Å
876V89.3Confident85.5Confident68 Ų6862.8 Ų62.841%0.41233%0.33SS..  trans-81.4115.3-178-178.60000108.8G857 Y878 G879 D882G857-V876 PolarHBondContact O-N 3.08Å; V876-Y878 PolarHBondContact O-N 3.17Å; V876-G879 WeakPolarHBondContact O-CA 3.41Å; V876-G879 PolarHBondContact O-N 2.99Å; V876-D882 WeakPolarHBondContact O-CB 3.4Å
877K80.5Confident86.9Confident134 Ų13457.7 Ų57.758%0.58330%0.297SS*.THydrogen-bonded Turntrans-55.1135.5177.7-159.6-176.7-175.9-169.10111.6I875 G879 D882I875-K877 PolarHBondContact O-N 3.28Å; K877-G879 PolarHBondContact O-N 3.46Å; K877-D882 WeakPolarHBondContact CA-OD2 3.25Å; K877-D882 WeakPolarHBondContact CG-OD2 3.45Å
878Y83.6Confident88Confident161 Ų16162.1 Ų62.163%0.63130%0.296SS*.THydrogen-bonded Turntrans61.418.5-170.3-41.8-73.2000114.4V876 D882V876-Y878 PolarHBondContact O-N 3.17Å; Y878-D882 PolarHBondContact N-OD2 3.07Å
879G85.3Confident88.4Confident0 Ų061.5 Ų61.50%030%0.302CS..SBendtrans-81.1-176.6169.900000112.9K852 V876 K877 E883K852-G879 PolarHBondContact NZ-O 2.82Å; V876-G879 WeakPolarHBondContact O-CA 3.41Å; V876-G879 PolarHBondContact O-N 2.99Å; K877-G879 PolarHBondContact O-N 3.46Å; G879-E883 PolarHBondContact O-N 3.15Å
880A88.1Confident88.6Confident7 Ų761.9 Ų61.96%0.05831%0.314CS..Hα-helixtrans-67.3-46.6176.500000112.1W850 K852 D882 D884W850-A880 WeakPolarHBondContact O-CB 3.42Å; K852-A880 HydrophobicContact CD-CB 4.08Å; K852-A880 HydrophobicContact CG-CB 4.16Å; A880-D882 VanDerWaalsContact C-N 3.34Å; A880-D882 PolarHBondContact O-N 3.29Å; A880-D884 WeakPolarHBondContact O-CB 3.5Å; A880-D884 PolarHBondContact O-N 3.19Å; A880-D884 VanDerWaalsContact O-N 3.08Å
881A91.8Very high88.7Confident1 Ų161.8 Ų61.81%0.00831%0.314CS..Hα-helixtrans-64-32.3175.700000114.4L849 F856 F858 I875 G885 L887L849-A881 HydrophobicContact CD1-CB 3.9Å; F856-A881 WeakPolarHBondContact O-CB 3.27Å; F856-A881 PolarHBondContact O-N 2.84Å; F858-A881 HydrophobicContact CB-CB 4.29Å; F858-A881 HydrophobicContact CD1-CB 4.05Å; I875-A881 HydrophobicContact CG2-CB 4.08Å; A881-G885 PolarHBondContact O-N 2.81Å; A881-L887 HydrophobicContact CB-CB 4.3Å; A881-L887 HydrophobicContact CB-CD2 3.68Å
882D90.2Very high88.7Confident64 Ų6458.3 Ų58.334%0.34230%0.301SS..Hα-helixtrans-74.2-40.8-179.7-169.568.3000112.1I875 V876 K877 Y878 A880 G885I875-D882 HydrophobicContact CG2-CB 3.87Å; V876-D882 WeakPolarHBondContact O-CB 3.4Å; K877-D882 WeakPolarHBondContact CA-OD2 3.25Å; K877-D882 WeakPolarHBondContact CG-OD2 3.45Å; Y878-D882 PolarHBondContact N-OD2 3.07Å; A880-D882 VanDerWaalsContact C-N 3.34Å; A880-D882 PolarHBondContact O-N 3.29Å; D882-G885 PolarHBondContact O-N 3.47Å
883E87.6Confident88.7Confident133 Ų13358.3 Ų58.362%0.62130%0.301SS*.Hα-helixtrans-73.7-26.3173.7-84.3176.5-121.800113.6K852 G879K852-E883 IonicContact NZ-OE1 3.71Å; K852-E883 PolarHBondContact NZ-OE1 2.55Å; K852-E883 IonicContact NZ-OE2 3.12Å; K852-E883 PolarHBondContact NZ-OE2 2.86Å; G879-E883 PolarHBondContact O-N 3.15Å
884D89.2Confident88.9Confident49 Ų4959 Ų5926%0.26230%0.303SS..Hα-helixtrans-73.1-36.2169.7-177.289.5000111.9I847 L849 A880 R886I847-D884 WeakPolarHBondContact CG2-OD2 3.09Å; L849-D884 HydrophobicContact CD2-CB 3.43Å; L849-D884 VanDerWaalsContact CD2-CB 3.43Å; A880-D884 WeakPolarHBondContact O-CB 3.5Å; A880-D884 PolarHBondContact O-N 3.19Å; A880-D884 VanDerWaalsContact O-N 3.08Å; D884-R886 PolarHBondContact O-N 3.37Å; D884-R886 IonicContact OD1-CZ 3.34Å; D884-R886 IonicContact OD1-NE 2.88Å; D884-R886 PolarHBondContact OD1-NE 2.89Å; D884-R886 IonicContact OD1-NH2 2.72Å; D884-R886 PolarHBondContact OD1-NH2 2.87Å; D884-R886 VanDerWaalsContact OD2-CB 3.27Å; D884-R886 WeakPolarHBondContact OD2-CB 3.42Å; D884-R886 WeakPolarHBondContact OD2-CG 3.33Å; D884-R886 IonicContact OD2-CZ 2.72Å; D884-R886 PolarHBondContact OD2-N 3.37Å; D884-R886 IonicContact OD2-NE 3.81Å; D884-R886 PolarHBondContact OD2-NE 3.47Å; D884-R886 IonicContact OD2-NH2 3.52Å
885G85.4Confident89.1Confident47 Ų4753.9 Ų53.949%0.48528%0.282SS..  trans69.3-7170.700000116.3A881 D882A881-G885 PolarHBondContact O-N 2.81Å; D882-G885 PolarHBondContact O-N 3.47Å
886R87.4Confident89.2Confident99 Ų9952.7 Ų52.737%0.37428%0.275SS..  trans-79.7-33.7178.4-61178-73.4174.1-9.4112.5I847 F848 D884 R928I847-R886 HydrophobicContact CD1-CB 3.98Å; I847-R886 HydrophobicContact CG1-CB 4.17Å; I847-R886 HydrophobicContact CG2-CB 4.4Å; F848-R886 PolarHBondContact O-NH2 3.02Å; D884-R886 PolarHBondContact O-N 3.37Å; D884-R886 IonicContact OD1-CZ 3.34Å; D884-R886 IonicContact OD1-NE 2.88Å; D884-R886 PolarHBondContact OD1-NE 2.89Å; D884-R886 IonicContact OD1-NH2 2.72Å; D884-R886 PolarHBondContact OD1-NH2 2.87Å; D884-R886 VanDerWaalsContact OD2-CB 3.27Å; D884-R886 WeakPolarHBondContact OD2-CB 3.42Å; D884-R886 WeakPolarHBondContact OD2-CG 3.33Å; D884-R886 IonicContact OD2-CZ 2.72Å; D884-R886 PolarHBondContact OD2-N 3.37Å; D884-R886 IonicContact OD2-NE 3.81Å; D884-R886 PolarHBondContact OD2-NE 3.47Å; D884-R886 IonicContact OD2-NH2 3.52Å; R886-R928 PolarHBondContact O-NH2 3.44Å
887L92.8Very high89.2Confident5 Ų551.9 Ų51.93%0.02627%0.269CS..  trans-75.5142.1178.1-162.675.4000109.9I847 L849 F858 I872 I875 A881 L924 V926I847-L887 HydrophobicContact CD1-CB 3.98Å; I847-L887 HydrophobicContact CD1-CD1 3.65Å; I847-L887 HydrophobicContact CD1-CG 4.45Å; L849-L887 HydrophobicContact CD1-CD2 4.36Å; F858-L887 HydrophobicContact CB-CD2 4Å; F858-L887 HydrophobicContact CD1-CD2 3.61Å; F858-L887 HydrophobicContact CD2-CD2 4.17Å; F858-L887 HydrophobicContact CE1-CD2 4.06Å; F858-L887 HydrophobicContact CG-CD2 3.67Å; I872-L887 HydrophobicContact CD1-CD1 4.11Å; I872-L887 HydrophobicContact CD1-CD2 4.34Å; I872-L887 HydrophobicContact CG1-CD1 3.94Å; I872-L887 HydrophobicContact CG1-CG 4.31Å; I872-L887 HydrophobicContact CG2-CD2 3.87Å; I872-L887 HydrophobicContact CG2-CG 4.02Å; I875-L887 VanDerWaalsContact CD1-C 3.47Å; I875-L887 HydrophobicContact CD1-CB 4.1Å; I875-L887 HydrophobicContact CD1-CD2 4.21Å; I875-L887 HydrophobicContact CD1-CG 4.12Å; I875-L887 WeakPolarHBondContact CD1-O 3.47Å; A881-L887 HydrophobicContact CB-CB 4.3Å; A881-L887 HydrophobicContact CB-CD2 3.68Å; L887-L924 HydrophobicContact CD1-CD1 4.34Å; L887-V926 HydrophobicContact CD1-CG1 3.82Å; L887-V926 HydrophobicContact CD1-CG2 4.29Å
888R88.8Confident89.3Confident147 Ų14748.6 Ų48.656%0.55527%0.273SS*.  trans-135.7147.5177.7-64-177.8-170.3174.12111.8I872 G890 D891I872-R888 WeakPolarHBondContact CB-O 3.36Å; I872-R888 WeakPolarHBondContact CG2-O 3.32Å; R888-G890 PolarHBondContact O-N 2.97Å; R888-D891 PolarHBondContact N-OD2 3.34Å; R888-D891 WeakPolarHBondContact O-CB 3.34Å; R888-D891 PolarHBondContact O-N 3.43Å; R888-D891 VanDerWaalsContact O-N 3.13Å
889S89.9Confident89.5Confident72 Ų7243.4 Ų43.450%0.50326%0.258SS..THydrogen-bonded Turntrans-60.6129.3167.3-59.30000110.1I872 G873 I875I872-S889 CarbonylContact O-C 3.56Å; I872-S889 WeakPolarHBondContact O-CA 2.81Å; G873-S889 WeakPolarHBondContact O-CA 3.14Å; G873-S889 VanDerWaalsContact O-CB 3.29Å; G873-S889 WeakPolarHBondContact O-CB 3.33Å; G873-S889 PolarHBondContact O-OG 3.01Å; I875-S889 PolarHBondContact N-OG 3.46Å
890G84.6Confident89.7Confident56 Ų5645.8 Ų45.858%0.57728%0.278SS*.THydrogen-bonded Turntrans95.3-5.4-172.700000114.9I872 R888I872-G890 PolarHBondContact O-N 3.33Å; R888-G890 PolarHBondContact O-N 2.97Å
891D92.8Very high89.7Confident3 Ų345.5 Ų45.52%0.01628%0.275CS..  trans-66.4140.1167.6-67.3-19.7000110.3Y871 I872 R888 V926 R928Y871-D891 CarbonylContact C-O 3.58Å; Y871-D891 WeakPolarHBondContact CA-O 3.42Å; I872-D891 HydrophobicContact CB-CB 4.26Å; I872-D891 HydrophobicContact CG1-CB 3.91Å; I872-D891 PolarHBondContact N-O 3.02Å; R888-D891 PolarHBondContact N-OD2 3.34Å; R888-D891 WeakPolarHBondContact O-CB 3.34Å; R888-D891 PolarHBondContact O-N 3.43Å; R888-D891 VanDerWaalsContact O-N 3.13Å; D891-V926 HydrophobicContact CB-CB 4.12Å; D891-V926 HydrophobicContact CB-CG2 4.23Å; D891-R928 VanDerWaalsContact CG-NH2 3.3Å; D891-R928 IonicContact OD1-CZ 2.71Å; D891-R928 IonicContact OD1-NE 2.59Å; D891-R928 PolarHBondContact OD1-NE 3.44Å; D891-R928 IonicContact OD1-NH2 3.7Å; D891-R928 PolarHBondContact OD1-NH2 3.49Å; D891-R928 VanDerWaalsContact OD1-NH2 3.12Å; D891-R928 IonicContact OD2-CZ 3.7Å; D891-R928 IonicContact OD2-NE 3.89Å; D891-R928 IonicContact OD2-NH2 2.77Å; D891-R928 PolarHBondContact OD2-NH2 3.24Å
892E92.6Very high89.3Confident20 Ų2049.3 Ų49.39%0.09330%0.298CS..EExtended strand (participates in β ladder)trans-88.2130.3175.5-170.3-177.9177.700109.6P869 I870 Y871 I894 V926 R927P869-E892 HydrophobicContact CB-CG 4.41Å; I870-E892 CarbonylContact O-C 3.27Å; Y871-E892 HydrophobicContact CD1-CB 3.9Å; Y871-E892 HydrophobicContact CD1-CG 4.22Å; Y871-E892 HydrophobicContact CE1-CB 3.74Å; Y871-E892 HydrophobicContact CE1-CG 3.84Å; E892-I894 HydrophobicContact CG-CD1 4.15Å; E892-V926 CarbonylContact O-C 3.51Å; E892-V926 WeakPolarHBondContact O-CA 3.49Å; E892-V926 WeakPolarHBondContact O-CB 3.47Å; E892-R927 HydrophobicContact CB-CB 4.3Å; E892-R927 WeakPolarHBondContact CB-O 3.48Å; E892-R927 PolarHBondContact N-O 3.2Å; E892-R927 PolarHBondContact O-N 3.2Å; E892-R927 IonicContact OE1-CZ 2.72Å; E892-R927 IonicContact OE1-NH2 3.2Å; E892-R927 PolarHBondContact OE1-NH2 3.28Å; E892-R927 IonicContact OE2-CZ 3.28Å; E892-R927 IonicContact OE2-NE 3.03Å; E892-R927 PolarHBondContact OE2-NE 2.98Å; E892-R927 IonicContact OE2-NH2 3.83Å; E892-R927 PolarHBondContact OE2-NH2 3.06Å
893L93.6Very high88.5Confident2 Ų247.8 Ų47.81%0.0130%0.297CS..EExtended strand (participates in β ladder)trans-87.5115.2-176.9-176.760.1000110.1I860 I870 I872 C895 V896 V901 V909 L924 V926I860-L893 HydrophobicContact CD1-CD2 4.41Å; I870-L893 HydrophobicContact CG2-CB 4.31Å; I870-L893 HydrophobicContact CG2-CD2 4.4Å; I870-L893 PolarHBondContact O-N 2.77Å; I872-L893 HydrophobicContact CD1-CB 4.39Å; I872-L893 HydrophobicContact CD1-CD1 4.47Å; L893-C895 WeakPolarHBondContact CD1-O 3.47Å; L893-V896 HydrophobicContact CD1-CG2 4.21Å; L893-V896 HydrophobicContact CD2-CG2 3.82Å; L893-V896 HydrophobicContact CG-CG2 4.22Å; L893-V901 HydrophobicContact CB-CG2 4.43Å; L893-V901 HydrophobicContact CD2-CG2 4.25Å; L893-V901 HydrophobicContact CG-CG2 3.81Å; L893-V901 WeakPolarHBondContact O-CG2 3.47Å; L893-V909 HydrophobicContact CD2-CG1 3.74Å; L893-L924 HydrophobicContact CD1-CB 4.14Å; L893-L924 HydrophobicContact CD1-CD2 3.95Å; L893-V926 HydrophobicContact CD1-CG1 3.83Å
894I93.9Very high88.3Confident18 Ų1845.1 Ų45.19%0.09228%0.284CS..EExtended strand (participates in β ladder)trans-96.6-43.5-175.9-54.7-55.6000111.5E892 A900 V901 V902 T925 R927E892-I894 HydrophobicContact CG-CD1 4.15Å; I894-A900 CarbonylContact O-C 3.45Å; I894-A900 WeakPolarHBondContact O-CA 3.3Å; I894-V901 PolarHBondContact O-N 3.15Å; I894-V902 HydrophobicContact CB-CG2 4.23Å; I894-V902 HydrophobicContact CD1-CG2 3.64Å; I894-V902 HydrophobicContact CG2-CG2 3.87Å; I894-T925 WeakPolarHBondContact CA-O 3.5Å; I894-T925 HydrophobicContact CB-CG2 4.32Å; I894-T925 WeakPolarHBondContact CB-O 3.48Å; I894-T925 PolarHBondContact N-O 3.3Å; I894-R927 HydrophobicContact CD1-CB 3.7Å; I894-R927 HydrophobicContact CG1-CB 3.54Å
895C92.3Very high88Confident20 Ų2045 Ų4514%0.13529%0.286CS..EExtended strand (participates in β ladder)trans-139.7152.7178.6-56.50000112.8L893 T899 L924 T925L893-C895 WeakPolarHBondContact CD1-O 3.47Å; C895-T899 CarbonylContact C-O 3.57Å; C895-T899 VanDerWaalsContact CA-O 3.27Å; C895-T899 WeakPolarHBondContact CA-O 3.5Å; C895-L924 WeakPolarHBondContact O-CA 3.13Å; C895-T925 PolarHBondContact N-O 2.92Å; C895-T925 PolarHBondContact O-N 3.28Å; C895-T925 VanDerWaalsContact O-N 3.1Å
896V94.6Very high88Confident0 Ų045.3 Ų45.30%028%0.275CS..EExtended strand (participates in β ladder)trans-127.6120.2167.7-178.30000108.6L893 G898 T899 V901 V909 L912 M913 V922 L924L893-V896 HydrophobicContact CD1-CG2 4.21Å; L893-V896 HydrophobicContact CD2-CG2 3.82Å; L893-V896 HydrophobicContact CG-CG2 4.22Å; V896-G898 VanDerWaalsContact C-N 3.29Å; V896-G898 PolarHBondContact O-N 3.42Å; V896-T899 PolarHBondContact N-O 3.49Å; V896-T899 WeakPolarHBondContact O-CA 3.4Å; V896-T899 VanDerWaalsContact O-CB 3.25Å; V896-T899 WeakPolarHBondContact O-CB 3.17Å; V896-T899 PolarHBondContact O-N 2.84Å; V896-V901 HydrophobicContact CB-CG1 4.35Å; V896-V901 HydrophobicContact CG2-CG1 4Å; V896-V901 HydrophobicContact CG2-CG2 4.48Å; V896-V909 HydrophobicContact CG2-CG1 4.2Å; V896-L912 HydrophobicContact CB-CB 4.19Å; V896-L912 HydrophobicContact CB-CD1 4.44Å; V896-L912 HydrophobicContact CG1-CB 3.9Å; V896-M913 HydrophobicContact CG1-CG 4.39Å; V896-M913 HydrophobicContact CG1-SD 3.76Å; V896-M913 HydrophobicContact CG2-SD 4.16Å; V896-V922 HydrophobicContact CG1-CG2 3.7Å; V896-L924 HydrophobicContact CG1-CD2 4.32Å; V896-L924 HydrophobicContact CG2-CD2 4.03Å
897D89.4Confident87.8Confident52 Ų5247.9 Ų47.928%0.27829%0.291SS..THydrogen-bonded Turntrans45.650-174.7-65.9-37.9000113T899 A916 V922 N923D897-T899 PolarHBondContact O-N 3.33Å; D897-A916 WeakPolarHBondContact OD2-CB 3.37Å; D897-V922 WeakPolarHBondContact OD1-CA 3.23Å; D897-N923 PolarHBondContact N-O 3.48Å; D897-N923 PolarHBondContact OD1-N 2.76Å
898G81.6Confident87.5Confident64 Ų6450.7 Ų50.766%0.6631%0.306SS*.THydrogen-bonded Turntrans73.1-11.7-177.300000115.2V896 A900V896-G898 VanDerWaalsContact C-N 3.29Å; V896-G898 PolarHBondContact O-N 3.42Å; G898-A900 PolarHBondContact O-N 2.93Å
899T88.4Confident87.4Confident53 Ų5343.7 Ų43.733%0.32528%0.28SS..EExtended strand (participates in β ladder)trans-78.9109.3173.8-57.80000109.5C895 V896 D897 V901 L912C895-T899 CarbonylContact C-O 3.57Å; C895-T899 VanDerWaalsContact CA-O 3.27Å; C895-T899 WeakPolarHBondContact CA-O 3.5Å; V896-T899 PolarHBondContact N-O 3.49Å; V896-T899 WeakPolarHBondContact O-CA 3.4Å; V896-T899 VanDerWaalsContact O-CB 3.25Å; V896-T899 WeakPolarHBondContact O-CB 3.17Å; V896-T899 PolarHBondContact O-N 2.84Å; D897-T899 PolarHBondContact O-N 3.33Å; T899-V901 PolarHBondContact O-N 2.82Å; T899-L912 HydrophobicContact CG2-CD1 3.74Å; T899-L912 HydrophobicContact CG2-CD2 4.18Å
900A88.1Confident87.4Confident50 Ų5042.6 Ų42.641%0.41327%0.27SS..EExtended strand (participates in β ladder)trans-56.6134.4171.200000110.9I894 G898 K904I894-A900 CarbonylContact O-C 3.45Å; I894-A900 WeakPolarHBondContact O-CA 3.3Å; G898-A900 PolarHBondContact O-N 2.93Å; A900-K904 VanDerWaalsContact O-CD 3.31Å; A900-K904 WeakPolarHBondContact O-CD 3.2Å; A900-K904 WeakPolarHBondContact O-CE 3.34Å; A900-K904 PolarHBondContact O-NZ 2.87Å
901V88.6Confident87.6Confident1 Ų145.8 Ų45.81%0.00627%0.27CS..  trans-118.2-6.3-178.4-61.20000114.4L893 I894 V896 T899 G903 K904 V909 L912L893-V901 HydrophobicContact CB-CG2 4.43Å; L893-V901 HydrophobicContact CD2-CG2 4.25Å; L893-V901 HydrophobicContact CG-CG2 3.81Å; L893-V901 WeakPolarHBondContact O-CG2 3.47Å; I894-V901 PolarHBondContact O-N 3.15Å; V896-V901 HydrophobicContact CB-CG1 4.35Å; V896-V901 HydrophobicContact CG2-CG1 4Å; V896-V901 HydrophobicContact CG2-CG2 4.48Å; T899-V901 PolarHBondContact O-N 2.82Å; V901-G903 PolarHBondContact O-N 3.18Å; V901-K904 WeakPolarHBondContact O-CB 3.49Å; V901-K904 PolarHBondContact O-N 3.02Å; V901-V909 HydrophobicContact CB-CG2 3.64Å; V901-V909 HydrophobicContact CG1-CG1 4.46Å; V901-V909 HydrophobicContact CG1-CG2 3.79Å; V901-V909 HydrophobicContact CG2-CG2 4.24Å; V901-L912 HydrophobicContact CG1-CD1 3.65Å
902V83.1Confident87.5Confident81 Ų8147.3 Ų47.349%0.49128%0.278SS..THydrogen-bonded Turntrans-53.3125.7171.9-173.90000110I894 K904I894-V902 HydrophobicContact CB-CG2 4.23Å; I894-V902 HydrophobicContact CD1-CG2 3.64Å; I894-V902 HydrophobicContact CG2-CG2 3.87Å; V902-K904 PolarHBondContact O-N 2.92Å
903G74.7Confident87.5Confident31 Ų3147.3 Ų47.332%0.3228%0.278SS..THydrogen-bonded Turntrans741.8-178.900000115.8G867 V901G867-G903 PolarHBondContact N-O 3.12Å; G867-G903 VanDerWaalsContact N-O 3.14Å; V901-G903 PolarHBondContact O-N 3.18Å
904K82.9Confident87.4Confident78 Ų7852.7 Ų52.734%0.33930%0.303SS..SBendtrans-90.5154.3173.5-61.2-172.1-178.71670110.6I870 A900 V901 V902 L908I870-K904 WeakPolarHBondContact CD1-O 3.46Å; A900-K904 VanDerWaalsContact O-CD 3.31Å; A900-K904 WeakPolarHBondContact O-CD 3.2Å; A900-K904 WeakPolarHBondContact O-CE 3.34Å; A900-K904 PolarHBondContact O-NZ 2.87Å; V901-K904 WeakPolarHBondContact O-CB 3.49Å; V901-K904 PolarHBondContact O-N 3.02Å; V902-K904 PolarHBondContact O-N 2.92Å; K904-L908 HydrophobicContact CB-CD2 4.35Å; K904-L908 HydrophobicContact CD-CD2 3.87Å
905S82.5Confident87.1Confident45 Ų4556.3 Ų56.332%0.31532%0.32SS..  trans-68.5148.6-179.464.20000112.7Q907 L908 V909S905-Q907 PolarHBondContact O-N 2.83Å; S905-Q907 VanDerWaalsContact O-N 3.16Å; S905-L908 PolarHBondContact O-N 2.68Å; S905-V909 PolarHBondContact O-N 2.8Å
906H85.2Confident86.9Confident54 Ų5455.4 Ų55.425%0.2531%0.313CS..Hα-helixtrans-51.7-38.7177.7-174.4102.9000112.6G862 G863 L908 V909 V910G862-H906 PolarHBondContact O-ND1 3.12Å; G863-H906 WeakPolarHBondContact O-CB 3.39Å; G863-H906 PolarHBondContact O-N 2.94Å; H906-L908 VanDerWaalsContact C-N 3.32Å; H906-L908 PolarHBondContact O-N 2.8Å; H906-V909 PolarHBondContact O-N 3.47Å; H906-V910 WeakPolarHBondContact NE2-CG2 3.38Å; H906-V910 WeakPolarHBondContact O-CG2 3.19Å; H906-V910 PolarHBondContact O-N 3.03Å
907Q84.4Confident86.5Confident153 Ų15356.4 Ų56.472%0.71532%0.322SS*.Hα-helixtrans-60.2-39.4178.9-177.3170.4-46.900112.5S905 V910 Q911S905-Q907 PolarHBondContact O-N 2.83Å; S905-Q907 VanDerWaalsContact O-N 3.16Å; Q907-V910 PolarHBondContact O-N 2.78Å; Q907-Q911 WeakPolarHBondContact O-CB 3.47Å; Q907-Q911 PolarHBondContact O-N 2.79Å
908L85.5Confident86.3Confident64 Ų6461.5 Ų61.534%0.33534%0.341SS..Hα-helixtrans-71.4-36.6177.5-179.752.6000111.5K904 S905 H906 Q911 L912K904-L908 HydrophobicContact CB-CD2 4.35Å; K904-L908 HydrophobicContact CD-CD2 3.87Å; S905-L908 PolarHBondContact O-N 2.68Å; H906-L908 VanDerWaalsContact C-N 3.32Å; H906-L908 PolarHBondContact O-N 2.8Å; L908-Q911 WeakPolarHBondContact O-CB 3.42Å; L908-Q911 PolarHBondContact O-N 2.82Å; L908-L912 HydrophobicContact CG-CD1 4.49Å; L908-L912 WeakPolarHBondContact O-CG 3.34Å; L908-L912 PolarHBondContact O-N 2.75Å
909V86.7Confident86.2Confident0 Ų063.4 Ų63.40%033%0.333CS..Hα-helixtrans-65.2-41.9173.2-173.40000111.3I860 I870 L893 V896 V901 S905 H906 Q911 L912 M913I860-V909 HydrophobicContact CD1-CG1 4.02Å; I870-V909 HydrophobicContact CD1-CB 4.29Å; I870-V909 HydrophobicContact CD1-CG2 3.41Å; I870-V909 VanDerWaalsContact CD1-CG2 3.41Å; L893-V909 HydrophobicContact CD2-CG1 3.74Å; V896-V909 HydrophobicContact CG2-CG1 4.2Å; V901-V909 HydrophobicContact CB-CG2 3.64Å; V901-V909 HydrophobicContact CG1-CG1 4.46Å; V901-V909 HydrophobicContact CG1-CG2 3.79Å; V901-V909 HydrophobicContact CG2-CG2 4.24Å; S905-V909 PolarHBondContact O-N 2.8Å; H906-V909 PolarHBondContact O-N 3.47Å; V909-Q911 VanDerWaalsContact C-N 3.3Å; V909-Q911 PolarHBondContact O-N 2.84Å; V909-L912 PolarHBondContact O-N 3.46Å; V909-M913 HydrophobicContact CG1-CG 4.45Å; V909-M913 WeakPolarHBondContact O-CB 3.33Å; V909-M913 VanDerWaalsContact O-CG 3.25Å; V909-M913 WeakPolarHBondContact O-CG 3.38Å; V909-M913 PolarHBondContact O-N 2.84Å
910V89.1Confident86.1Confident50 Ų5062 Ų6230%0.30333%0.33SS..Hα-helixtrans-61.1-38.5172.9166.80000111.4H906 Q907 Q914H906-V910 WeakPolarHBondContact NE2-CG2 3.38Å; H906-V910 WeakPolarHBondContact O-CG2 3.19Å; H906-V910 PolarHBondContact O-N 3.03Å; Q907-V910 PolarHBondContact O-N 2.78Å; V910-Q914 VanDerWaalsContact CG1-NE2 3.33Å; V910-Q914 WeakPolarHBondContact O-CB 3.35Å; V910-Q914 VanDerWaalsContact O-CG 3.28Å; V910-Q914 WeakPolarHBondContact O-CG 3.32Å; V910-Q914 PolarHBondContact O-N 2.95Å
911Q88.9Confident86.1Confident123 Ų12362 Ų6258%0.57532%0.321SS*.Hα-helixtrans-66.8-43.3175.1-177.6174.9-13.800112.5Q907 L908 V909 Q914 Q915Q907-Q911 WeakPolarHBondContact O-CB 3.47Å; Q907-Q911 PolarHBondContact O-N 2.79Å; L908-Q911 WeakPolarHBondContact O-CB 3.42Å; L908-Q911 PolarHBondContact O-N 2.82Å; V909-Q911 VanDerWaalsContact C-N 3.3Å; V909-Q911 PolarHBondContact O-N 2.84Å; Q911-Q914 PolarHBondContact O-N 3.17Å; Q911-Q915 PolarHBondContact O-N 3.44Å
912L92.2Very high86.4Confident34 Ų3462 Ų6218%0.17832%0.321CS..Hα-helixtrans-60.7-47174.1-71.3166.3000111V896 T899 V901 L908 V909 Q914 Q915 A916V896-L912 HydrophobicContact CB-CB 4.19Å; V896-L912 HydrophobicContact CB-CD1 4.44Å; V896-L912 HydrophobicContact CG1-CB 3.9Å; T899-L912 HydrophobicContact CG2-CD1 3.74Å; T899-L912 HydrophobicContact CG2-CD2 4.18Å; V901-L912 HydrophobicContact CG1-CD1 3.65Å; L908-L912 HydrophobicContact CG-CD1 4.49Å; L908-L912 WeakPolarHBondContact O-CG 3.34Å; L908-L912 PolarHBondContact O-N 2.75Å; V909-L912 PolarHBondContact O-N 3.46Å; L912-Q914 VanDerWaalsContact C-N 3.31Å; L912-Q914 PolarHBondContact O-N 2.88Å; L912-Q915 WeakPolarHBondContact O-CA 3.41Å; L912-Q915 WeakPolarHBondContact O-CB 3.38Å; L912-Q915 PolarHBondContact O-N 2.75Å; L912-A916 WeakPolarHBondContact O-CB 3.5Å; L912-A916 PolarHBondContact O-N 3.29Å
913M92.8Very high86.9Confident21 Ų2160.5 Ų60.510%0.10331%0.31CS..Hα-helixtrans-63.8-33.1176.7-70.7-64.4-54.100113.2F856 F858 I860 V896 V909 A917 V922 L924F856-M913 HydrophobicContact CB-CE 4.46Å; F856-M913 HydrophobicContact CD2-CE 3.49Å; F856-M913 VanDerWaalsContact CD2-CE 3.49Å; F856-M913 HydrophobicContact CE2-CE 4.01Å; F856-M913 HydrophobicContact CG-CE 4.23Å; F858-M913 HydrophobicContact CE1-CE 3.9Å; F858-M913 HydrophobicContact CE2-CE 4.31Å; F858-M913 HydrophobicContact CZ-CE 3.42Å; F858-M913 VanDerWaalsContact CZ-CE 3.42Å; F858-M913 HydrophobicContact CZ-SD 4.18Å; I860-M913 HydrophobicContact CD1-CG 3.68Å; I860-M913 HydrophobicContact CD1-SD 4.45Å; V896-M913 HydrophobicContact CG1-CG 4.39Å; V896-M913 HydrophobicContact CG1-SD 3.76Å; V896-M913 HydrophobicContact CG2-SD 4.16Å; V909-M913 HydrophobicContact CG1-CG 4.45Å; V909-M913 WeakPolarHBondContact O-CB 3.33Å; V909-M913 VanDerWaalsContact O-CG 3.25Å; V909-M913 WeakPolarHBondContact O-CG 3.38Å; V909-M913 PolarHBondContact O-N 2.84Å; M913-A917 VanDerWaalsContact O-CB 3.24Å; M913-A917 WeakPolarHBondContact O-CB 3.37Å; M913-A917 PolarHBondContact O-N 2.89Å; M913-V922 HydrophobicContact CE-CG1 4.3Å; M913-V922 HydrophobicContact CE-CG2 4.46Å; M913-V922 HydrophobicContact SD-CG2 3.97Å; M913-L924 HydrophobicContact SD-CD2 3.78Å
914Q90.3Very high87.9Confident114 Ų11459 Ų5953%0.53330%0.295SS..Hα-helixtrans-70.2-34.1171-76.4178.941.900112.4V910 Q911 L912 A917 K918V910-Q914 VanDerWaalsContact CG1-NE2 3.33Å; V910-Q914 WeakPolarHBondContact O-CB 3.35Å; V910-Q914 VanDerWaalsContact O-CG 3.28Å; V910-Q914 WeakPolarHBondContact O-CG 3.32Å; V910-Q914 PolarHBondContact O-N 2.95Å; Q911-Q914 PolarHBondContact O-N 3.17Å; L912-Q914 VanDerWaalsContact C-N 3.31Å; L912-Q914 PolarHBondContact O-N 2.88Å; Q914-A917 PolarHBondContact O-N 2.79Å; Q914-K918 WeakPolarHBondContact O-CG 3.27Å; Q914-K918 PolarHBondContact O-N 2.85Å; Q914-K918 VanDerWaalsContact O-N 3.15Å
915Q88.1Confident88.4Confident95 Ų9556.4 Ų56.444%0.44429%0.286SS..Hα-helixtrans-69.8-45.5175.2-177.264.90.200111.1Q911 L912 A917 K918 Q919Q911-Q915 PolarHBondContact O-N 3.44Å; L912-Q915 WeakPolarHBondContact O-CA 3.41Å; L912-Q915 WeakPolarHBondContact O-CB 3.38Å; L912-Q915 PolarHBondContact O-N 2.75Å; Q915-A917 VanDerWaalsContact C-N 3.29Å; Q915-A917 PolarHBondContact O-N 3.03Å; Q915-K918 WeakPolarHBondContact O-CB 3.26Å; Q915-K918 PolarHBondContact O-N 2.68Å; Q915-Q919 PolarHBondContact O-N 3.14Å; Q915-Q919 VanDerWaalsContact O-N 3.13Å
916A88.2Confident89Confident0 Ų054.3 Ų54.30%027%0.271CS..Hα-helixtrans-56.6-43.7170.700000111.3F856 D897 L912 K918 Q919 G920 H921 V922F856-A916 HydrophobicContact CE2-CB 4.2Å; F856-A916 HydrophobicContact CZ-CB 4.19Å; D897-A916 WeakPolarHBondContact OD2-CB 3.37Å; L912-A916 WeakPolarHBondContact O-CB 3.5Å; L912-A916 PolarHBondContact O-N 3.29Å; A916-K918 PolarHBondContact O-N 3.16Å; A916-Q919 CarbonylContact O-C 2.98Å; A916-Q919 WeakPolarHBondContact O-CA 3.35Å; A916-Q919 WeakPolarHBondContact O-CB 3.48Å; A916-Q919 PolarHBondContact O-N 2.87Å; A916-G920 PolarHBondContact O-N 3.14Å; A916-H921 CarbonylContact C-O 3.45Å; A916-H921 WeakPolarHBondContact CB-O 3.11Å; A916-V922 HydrophobicContact CB-CB 3.67Å; A916-V922 HydrophobicContact CB-CG2 3.62Å
917A85.4Confident89.3Confident21 Ų2155 Ų5517%0.17427%0.272CS..Hα-helixtrans-61.7-26.6175.200000113.6R851 F856 M913 Q914 Q915R851-A917 WeakPolarHBondContact CD-O 3.49Å; R851-A917 PolarHBondContact NH1-O 2.96Å; F856-A917 HydrophobicContact CE2-CB 3.82Å; F856-A917 HydrophobicContact CZ-CB 4.37Å; M913-A917 VanDerWaalsContact O-CB 3.24Å; M913-A917 WeakPolarHBondContact O-CB 3.37Å; M913-A917 PolarHBondContact O-N 2.89Å; Q914-A917 PolarHBondContact O-N 2.79Å; Q915-A917 VanDerWaalsContact C-N 3.29Å; Q915-A917 PolarHBondContact O-N 3.03Å
918K84.7Confident89.4Confident159 Ų15949.9 Ų49.969%0.69125%0.245SC*.Hα-helixtrans-76.9-31.1171.1-67.6167.2-173.2171.70112.6Q914 Q915 A916 G920Q914-K918 WeakPolarHBondContact O-CG 3.27Å; Q914-K918 PolarHBondContact O-N 2.85Å; Q914-K918 VanDerWaalsContact O-N 3.15Å; Q915-K918 WeakPolarHBondContact O-CB 3.26Å; Q915-K918 PolarHBondContact O-N 2.68Å; A916-K918 PolarHBondContact O-N 3.16Å; K918-G920 VanDerWaalsContact C-N 3.33Å
919Q81.3Confident88.8Confident104 Ų10452.5 Ų52.549%0.48625%0.254SS..Hα-helixtrans-72.9-27173.2-62.2-17822.400112.2Q915 A916 H921Q915-Q919 PolarHBondContact O-N 3.14Å; Q915-Q919 VanDerWaalsContact O-N 3.13Å; A916-Q919 CarbonylContact O-C 2.98Å; A916-Q919 WeakPolarHBondContact O-CA 3.35Å; A916-Q919 WeakPolarHBondContact O-CB 3.48Å; A916-Q919 PolarHBondContact O-N 2.87Å; Q919-H921 PolarHBondContact OE1-CE1 3.04Å
920G85.5Confident87.6Confident25 Ų2554.9 Ų54.926%0.25827%0.269SS..THydrogen-bonded Turntrans93.34.7178.600000114.2R851 A916 K918R851-G920 VanDerWaalsContact CB-O 3.27Å; R851-G920 WeakPolarHBondContact CB-O 3.28Å; R851-G920 PolarHBondContact N-O 3.14Å; A916-G920 PolarHBondContact O-N 3.14Å; K918-G920 VanDerWaalsContact C-N 3.33Å
921H88Confident85.5Confident49 Ų4958.9 Ų58.923%0.22729%0.288CS..EExtended strand (participates in β ladder)trans-149166.9172.957.359.9000110.1F848 L849 W850 A916 Q919F848-H921 HydrophobicContact CE1-CB 3.65Å; F848-H921 HydrophobicContact CE2-CB 4.26Å; F848-H921 HydrophobicContact CZ-CB 3.41Å; F848-H921 VanDerWaalsContact CZ-CB 3.41Å; F848-H921 AromaticContact CZ-CD2 3.87Å; F848-H921 AromaticContact CZ-CG 3.44Å; F848-H921 VanDerWaalsContact CZ-CG 3.44Å; F848-H921 AromaticContact CZ-ND1 3.91Å; L849-H921 CarbonylContact O-C 3.54Å; L849-H921 VanDerWaalsContact O-CA 3.26Å; L849-H921 WeakPolarHBondContact O-CA 3.49Å; W850-H921 HydrophobicContact CD2-CB 4.4Å; W850-H921 HydrophobicContact CE3-CB 3.92Å; W850-H921 HydrophobicContact CZ3-CB 4.13Å; W850-H921 AromaticContact CZ3-CD2 3.85Å; A916-H921 CarbonylContact C-O 3.45Å; A916-H921 WeakPolarHBondContact CB-O 3.11Å; Q919-H921 PolarHBondContact OE1-CE1 3.04Å
922V95.2Very high82.9Confident0 Ų063.5 Ų63.50%030%0.302CS..EExtended strand (participates in β ladder)trans-144.2139.7168.666.60000110.1F848 L849 F856 V896 D897 M913 A916 L924F848-V922 CarbonylContact C-O 3.53Å; F848-V922 WeakPolarHBondContact CA-O 3.46Å; L849-V922 HydrophobicContact CB-CG1 4.04Å; L849-V922 PolarHBondContact N-O 2.91Å; L849-V922 PolarHBondContact O-N 3.42Å; F856-V922 HydrophobicContact CD1-CB 4.49Å; F856-V922 HydrophobicContact CD1-CG1 3.66Å; F856-V922 HydrophobicContact CD2-CG1 4.13Å; F856-V922 HydrophobicContact CE1-CB 3.95Å; F856-V922 HydrophobicContact CE1-CG1 3.6Å; F856-V922 HydrophobicContact CE2-CB 4.12Å; F856-V922 HydrophobicContact CE2-CG1 4.06Å; F856-V922 HydrophobicContact CG-CG1 3.93Å; F856-V922 HydrophobicContact CZ-CB 3.74Å; F856-V922 HydrophobicContact CZ-CG1 3.8Å; V896-V922 HydrophobicContact CG1-CG2 3.7Å; D897-V922 WeakPolarHBondContact OD1-CA 3.23Å; M913-V922 HydrophobicContact CE-CG1 4.3Å; M913-V922 HydrophobicContact CE-CG2 4.46Å; M913-V922 HydrophobicContact SD-CG2 3.97Å; A916-V922 HydrophobicContact CB-CB 3.67Å; A916-V922 HydrophobicContact CB-CG2 3.62Å; V922-L924 HydrophobicContact CG1-CD1 4.2Å; V922-L924 HydrophobicContact CG1-CD2 4.17Å; V922-L924 HydrophobicContact CG1-CG 4.01Å; V922-L924 HydrophobicContact CG2-CD2 3.57Å; V922-L924 HydrophobicContact CG2-CG 4.11Å
923N94.1Very high79.9Confident51 Ų5165.9 Ų65.927%0.27333%0.327SS..EExtended strand (participates in β ladder)trans-101.2123.4165.1-168.729.6000109.8F848 D897F848-N923 HydrophobicContact CD2-CB 4.01Å; D897-N923 PolarHBondContact N-O 3.48Å; D897-N923 PolarHBondContact OD1-N 2.76Å
924L95.6Very high76.7Confident0 Ų071.1 Ų71.10%036%0.36CS..EExtended strand (participates in β ladder)trans-116.6118.3-177.4-55.5169.7000109.3D846 I847 L849 F858 L887 L893 C895 V896 M913 V922 V926D846-L924 CarbonylContact C-O 3.56Å; D846-L924 WeakPolarHBondContact CA-O 3.21Å; I847-L924 PolarHBondContact N-O 2.95Å; I847-L924 PolarHBondContact O-N 3.23Å; L849-L924 HydrophobicContact CD1-CD1 3.92Å; F858-L924 HydrophobicContact CE1-CD1 3.64Å; F858-L924 HydrophobicContact CE2-CD1 4.48Å; F858-L924 HydrophobicContact CZ-CD1 3.49Å; F858-L924 VanDerWaalsContact CZ-CD1 3.49Å; F858-L924 HydrophobicContact CZ-CD2 4.36Å; L887-L924 HydrophobicContact CD1-CD1 4.34Å; L893-L924 HydrophobicContact CD1-CB 4.14Å; L893-L924 HydrophobicContact CD1-CD2 3.95Å; C895-L924 WeakPolarHBondContact O-CA 3.13Å; V896-L924 HydrophobicContact CG1-CD2 4.32Å; V896-L924 HydrophobicContact CG2-CD2 4.03Å; M913-L924 HydrophobicContact SD-CD2 3.78Å; V922-L924 HydrophobicContact CG1-CD1 4.2Å; V922-L924 HydrophobicContact CG1-CD2 4.17Å; V922-L924 HydrophobicContact CG1-CG 4.01Å; V922-L924 HydrophobicContact CG2-CD2 3.57Å; V922-L924 HydrophobicContact CG2-CG 4.11Å; L924-V926 HydrophobicContact CB-CG1 4.26Å
925T93.4Very high73.7Confident23 Ų2371.7 Ų71.714%0.14137%0.371CS..EExtended strand (participates in β ladder)trans-86.9117.8164.3-48.40000107D846 I894 C895D846-T925 VanDerWaalsContact OD1-CB 3.32Å; D846-T925 WeakPolarHBondContact OD1-CB 3.46Å; D846-T925 WeakPolarHBondContact OD1-CG2 3.41Å; D846-T925 PolarHBondContact OD1-OG1 3.34Å; I894-T925 WeakPolarHBondContact CA-O 3.5Å; I894-T925 HydrophobicContact CB-CG2 4.32Å; I894-T925 WeakPolarHBondContact CB-O 3.48Å; I894-T925 PolarHBondContact N-O 3.3Å; C895-T925 PolarHBondContact N-O 2.92Å; C895-T925 PolarHBondContact O-N 3.28Å; C895-T925 VanDerWaalsContact O-N 3.1Å
926V93.8Very high70.9Confident1 Ų176.1 Ų76.11%0.00639%0.389CS..EExtended strand (participates in β ladder)trans-120.8148.8177.3-58.90000111.6E844 Q845 I847 I872 L887 D891 E892 L893 L924E844-V926 CarbonylContact C-O 3.57Å; E844-V926 VanDerWaalsContact CA-O 3.31Å; E844-V926 WeakPolarHBondContact CA-O 3.34Å; Q845-V926 HydrophobicContact CB-CG2 4.32Å; Q845-V926 PolarHBondContact N-O 2.85Å; Q845-V926 PolarHBondContact O-N 3.24Å; I847-V926 HydrophobicContact CD1-CG2 3.59Å; I847-V926 HydrophobicContact CG1-CG2 4.34Å; I872-V926 HydrophobicContact CD1-CG1 4.47Å; I872-V926 HydrophobicContact CG1-CG1 4.36Å; L887-V926 HydrophobicContact CD1-CG1 3.82Å; L887-V926 HydrophobicContact CD1-CG2 4.29Å; D891-V926 HydrophobicContact CB-CB 4.12Å; D891-V926 HydrophobicContact CB-CG2 4.23Å; E892-V926 CarbonylContact O-C 3.51Å; E892-V926 WeakPolarHBondContact O-CA 3.49Å; E892-V926 WeakPolarHBondContact O-CB 3.47Å; L893-V926 HydrophobicContact CD1-CG1 3.83Å; L924-V926 HydrophobicContact CB-CG1 4.26Å
927R91.6Very high68.1Low69 Ų6981.3 Ų81.326%0.2643%0.425SS..EExtended strand (participates in β ladder)trans-111.8121.8178.4-175.7170.573.7-178.12.8109.9F842 E844 E892 I894F842-R927 HydrophobicContact CB-CG 3.73Å; F842-R927 HydrophobicContact CD1-CG 3.78Å; F842-R927 HydrophobicContact CG-CG 4.07Å; E844-R927 HydrophobicContact CG-CB 3.97Å; E844-R927 HydrophobicContact CG-CG 3.97Å; E892-R927 HydrophobicContact CB-CB 4.3Å; E892-R927 WeakPolarHBondContact CB-O 3.48Å; E892-R927 PolarHBondContact N-O 3.2Å; E892-R927 PolarHBondContact O-N 3.2Å; E892-R927 IonicContact OE1-CZ 2.72Å; E892-R927 IonicContact OE1-NH2 3.2Å; E892-R927 PolarHBondContact OE1-NH2 3.28Å; E892-R927 IonicContact OE2-CZ 3.28Å; E892-R927 IonicContact OE2-NE 3.03Å; E892-R927 PolarHBondContact OE2-NE 2.98Å; E892-R927 IonicContact OE2-NH2 3.83Å; E892-R927 PolarHBondContact OE2-NH2 3.06Å; I894-R927 HydrophobicContact CD1-CB 3.7Å; I894-R927 HydrophobicContact CG1-CB 3.54Å
928R87.7Confident65.3Low44 Ų4489.6 Ų89.617%0.16646%0.46CS..EExtended strand (participates in β ladder)trans-109.9124.5177.2-175.6176.6-64.1139.46.7109.9F842 Q843 R886 D891 T930F842-R928 WeakPolarHBondContact CA-O 3.22Å; Q843-R928 PolarHBondContact N-O 3.08Å; Q843-R928 PolarHBondContact O-N 3.49Å; R886-R928 PolarHBondContact O-NH2 3.44Å; D891-R928 VanDerWaalsContact CG-NH2 3.3Å; D891-R928 IonicContact OD1-CZ 2.71Å; D891-R928 IonicContact OD1-NE 2.59Å; D891-R928 PolarHBondContact OD1-NE 3.44Å; D891-R928 IonicContact OD1-NH2 3.7Å; D891-R928 PolarHBondContact OD1-NH2 3.49Å; D891-R928 VanDerWaalsContact OD1-NH2 3.12Å; D891-R928 IonicContact OD2-CZ 3.7Å; D891-R928 IonicContact OD2-NE 3.89Å; D891-R928 IonicContact OD2-NH2 2.77Å; D891-R928 PolarHBondContact OD2-NH2 3.24Å; R928-T930 PolarHBondContact O-N 2.97Å
929K72.3Confident62.7Low120 Ų12085.3 Ų85.352%0.52246%0.462SS..EExtended strand (participates in β ladder)trans-71.2126172.3-167.8174.5-178.5173.20110.2D841 F842 N931D841-K929 WeakPolarHBondContact O-CA 3.31Å; D841-K929 WeakPolarHBondContact O-CG 3.37Å; F842-K929 HydrophobicContact CD1-CB 3.9Å; F842-K929 HydrophobicContact CD1-CG 4.12Å; F842-K929 HydrophobicContact CE1-CB 3.76Å; F842-K929 HydrophobicContact CE1-CD 4.06Å; F842-K929 HydrophobicContact CE1-CG 3.8Å; F842-K929 HydrophobicContact CZ-CD 4.24Å; F842-K929 HydrophobicContact CZ-CG 4.29Å; K929-N931 PolarHBondContact O-N 3.23Å; K929-N931 VanDerWaalsContact O-N 3.09Å
930T62.7Low60.2Low49 Ų4988.3 Ų88.330%0.30148%0.481SS..  trans-84.478.7-18038.60000111.4D841 Q843 R928 Y932D841-T930 VanDerWaalsContact C-OG1 3.3Å; D841-T930 PolarHBondContact O-N 2.83Å; D841-T930 PolarHBondContact O-OG1 3.42Å; Q843-T930 HydrophobicContact CB-CG2 4.31Å; R928-T930 PolarHBondContact O-N 2.97Å; T930-Y932 PolarHBondContact O-N 3.23Å
931N43.7Very low57.7Low134 Ų13493 Ų9372%0.71750%0.504SS*.  trans-66.698.9170.5-77.69.2000110.7K929 A933K929-N931 PolarHBondContact O-N 3.23Å; K929-N931 VanDerWaalsContact O-N 3.09Å; N931-A933 PolarHBondContact O-N 3.31Å
932Y34.4Very low56.1Low220 Ų22095.9 Ų95.986%0.86353%0.527SS*.  trans-69107.8165.1-100-83.2000110.2T930 V934T930-Y932 PolarHBondContact O-N 3.23Å; Y932-V934 PolarHBondContact O-N 3.46Å
933A29.7Very low53.3Low84 Ų84101.7 Ų101.769%0.69457%0.565SS**  trans-73.7108.1168.900000109.5N931 T935N931-A933 PolarHBondContact O-N 3.31Å; A933-T935 VanDerWaalsContact C-N 3.29Å; A933-T935 PolarHBondContact O-N 2.97Å
934V25.8Very low49.9Very low132 Ų132104.5 Ų104.580%0.859%0.588SS**  trans-8080.8170.6-178.10000109.4Y932Y932-V934 PolarHBondContact O-N 3.46Å
935T27.7Very low47.4Very low125 Ų125110 Ų11077%0.76763%0.625SS**  trans-76.1120.9154.444.70000108.5A933A933-T935 VanDerWaalsContact C-N 3.29Å; A933-T935 PolarHBondContact O-N 2.97Å
936K28.6Very low44.1Very low189 Ų189113.7 Ų113.782%0.82266%0.657SS**  trans-72.9160.9169.5-82.5-172.5172.9-176.90111
937S28.5Very low40.8Very low109 Ų109118.5 Ų118.576%0.76269%0.691SS**  trans67.1141.7177.369.50000115.7
938E27.1Very low37.7Very low194 Ų194119.4 Ų119.491%0.90771%0.707SS**  cis-167.5162-22.1-163.4162.5132.300107.8
939G29.8Very low34.8Very low70 Ų70125.8 Ų125.872%0.72274%0.739SS**  trans106.280.5156.200000119.5
940D28.3Very low32.6Very low166 Ų166128 Ų12889%0.88875%0.751SS**  trans70.4170.6139-125-37.1000122.1
941V33.4Very low30.8Very low123 Ų123131 Ų13175%0.74577%0.774SS**  trans-126.2-166.1-155.4-135.20000112.8
942P54.6Low30Very low110 Ų110129.7 Ų129.771%0.71478%0.775SS**  trans-116.4-158.9-132.448.9-30000112.2
943P37.6Very low29.5Very low123 Ų123125.1 Ų125.180%0.79977%0.77SS**  cis-142.7178.348.938.3-15.4000117.6
944S22.3Very low29.2Very low109 Ų109130 Ų13076%0.76278%0.778SS**  trans-75.7-167.3173.2-25.90000113.5
945P43.1Very low29.1Very low117 Ų117127.6 Ų127.676%0.7677%0.773SS**  cis-139.1-176.8-13.938.1-18.7000116.2
946A22.8Very low29.3Very low99 Ų99126.9 Ų126.982%0.81877%0.77SS**  trans71.1163.4156.500000118
947S26.1Very low29.1Very low103 Ų103122.4 Ų122.472%0.7276%0.763SS**  cis-156.8153.91.6-171.40000113.5
948S26.1Very low29.1Very low87 Ų87124.5 Ų124.561%0.60877%0.765SS**  trans53.3113.4143.2590000124.7
949H26.8Very low29.3Very low178 Ų178121.2 Ų121.282%0.82476%0.758SS**  69.1150.4124.9-73.3-83.1000124.9
950H26.1Very low29.3Very low167 Ų167126 Ų12677%0.77376%0.762SS**  trans82.6106.8149.194-49.1000123.1
951S25.2Very low29.4Very low112 Ų112124.3 Ų124.378%0.78375%0.752SS**  66.7115.7120.3-56.90000123.4
952S26.7Very low29.1Very low107 Ų107127 Ų12775%0.74876%0.759SS**  trans91.9135.4130.5-160.80000121.1
953T23.6Very low28Very low123 Ų123124.7 Ų124.776%0.75576%0.755SS**  trans78.9143.7151.45.80000120.9
954Q22.8Very low27.8Very low186 Ų186128.2 Ų128.287%0.86976%0.758SS**  trans79.2126.4153.3-115.7165.7-14.100120.5
955A23.3Very low28.2Very low82 Ų82133 Ų13368%0.67876%0.76SS**  trans-84.4176.4158.200000108.8
956P32.6Very low27.7Very low110 Ų110133.3 Ų133.371%0.71476%0.76SS**  cis-151.5177.823.840.8-17.6000119.8
957S24.3Very low28.6Very low96 Ų96133.8 Ų133.867%0.67175%0.754SS**  trans67.2128.813664.70000124.5
958L29.4Very low28.7Very low152 Ų152138.1 Ų138.180%0.79676%0.763SS**  96.9111.3126.3-83.9167.6000122
959T30.2Very low28.8Very low126 Ų126137.5 Ų137.577%0.77377%0.77SS**  -157.9-168.2125.713.60000107.7
960E31Very low28.8Very low171 Ų171134.4 Ų134.480%0.79977%0.769SS**  -140.3157.9-102.4-93.5-180114.200108.9
961D29.8Very low29Very low129 Ų129134.1 Ų134.169%0.6977%0.768SS**  cis-154.5-168.1-14.3176.341000107.2
962M27.7Very low29.2Very low179 Ų179135 Ų13588%0.88276%0.763SS**  trans78.798.6167.1-59.5-151.9-178.800116.5
963G31Very low29.2Very low62 Ų62134.2 Ų134.264%0.63976%0.758SS**  cis148.6162.1-1600000115.4
964K32.1Very low29.4Very low197 Ų197136.2 Ų136.286%0.85776%0.763SS**  trans74.6137.9171.3-56.4160.6-171.8165.50114.9
965R32.1Very low29.6Very low210 Ų210132 Ų13279%0.79276%0.755SS**  cis-164.81213-119.3174-173.4-139.83.2114.4
966T31.8Very low29.8Very low124 Ų124134 Ų13476%0.76176%0.758SS**  trans69.2162.2130.559.80000121.4
967P41.8Very low29.5Very low108 Ų108134.9 Ų134.970%0.70176%0.762SS**  -145.5-160.6-97.336.9-9.7000117.8
968Q27.5Very low29.6Very low195 Ų195135.5 Ų135.591%0.91177%0.766SS**  trans77.4144.3171.5-52.2177.9-98.200116.6
969G28.5Very low29.5Very low74 Ų74134.4 Ų134.476%0.76377%0.771SS**  cis151157.9-4.500000110.8
970S27.8Very low29.4Very low113 Ų113132.2 Ų132.279%0.7977%0.774SS**  cis-177.5175.5-11.459.50000111
971Q29.7Very low29.3Very low160 Ų160130.5 Ų130.575%0.74878%0.781SS**  trans82120.8164.3-60.5-86.7-42.300121.2
972N29.3Very low29.2Very low130 Ų130127.7 Ų127.770%0.69578%0.782SS**  45152.7123.5-61.5-8.3000123.1
973S26.9Very low29.2Very low92 Ų92124.6 Ų124.664%0.64378%0.778SS**  cis-174153.2-14.6-94.50000112.8
974L28.9Very low29.1Very low164 Ų164127.6 Ų127.686%0.85978%0.784SS**  trans73139.3152.4-70.5165.8000124.3
975S26.1Very low28.9Very low99 Ų99123.9 Ų123.969%0.69278%0.783SS**  trans85.4118.6137.353.50000125.6
976T27.5Very low28.7Very low122 Ų122117.9 Ų117.975%0.74879%0.786SS**  trans79.6115.5130.254.80000125.5
977V27Very low28.6Very low129 Ų129120.6 Ų120.678%0.78279%0.794SS**  trans63.4116.2135.1-48.50000124.6
978S25.4Very low27.9Very low110 Ų110119.2 Ų119.277%0.76980%0.8SS**  48126.7125.2-53.20000124.9
979S28Very low28.2Very low128 Ų128116.5 Ų116.590%0.89580%0.802SS**  trans79.9120.8138.6-600000121.4
980G27.4Very low28.3Very low81 Ų81116.9 Ų116.984%0.83581%0.806SS**  trans178137.1163.300000113.1
981S29.1Very low28.4Very low135 Ų135115.7 Ų115.794%0.94481%0.811SS**  trans-121.2150.9-178.6-57.50000111.4
982G27.6Very low28.3Very low70 Ų70112.1 Ų112.172%0.72282%0.818SS**  trans15477.1160.300000120.8
983S27.6Very low28.2Very low113 Ų113110 Ų11079%0.7983%0.826SS**  44.1129.2125.9-48.30000125.2
984T28.2Very low28.3Very low126 Ų126109.5 Ų109.577%0.77384%0.836SS**  trans93.8140.3145.194.50000122.7
985S28.6Very low28.4Very low119 Ų119105.9 Ų105.983%0.83284%0.839SS**  trans76.4124.4144.9-50.20000120.7
986G28.6Very low28.4Very low83 Ų83104.9 Ų104.986%0.85684%0.843SS**  trans153.8103.816100000116.6
987I28.8Very low28.6Very low182 Ų182104.5 Ų104.593%0.93385%0.853SS**  trans-65.3151.6169.446.3169.8000113.9
988G27.5Very low28.5Very low79 Ų79102.1 Ų102.181%0.81485%0.854SS**  trans159.9130.2163.400000115.2
989S34Very low29.1Very low138 Ų138104.9 Ų104.997%0.96586%0.859SS**  trans-101.3138.4-179.8-58.10000112.8
990G29.8Very low29.1Very low82 Ų82104 Ų10485%0.84585%0.853SS**  trans-178.2145.4170.900000109.6
991G30.1Very low29.5Very low87 Ų87103.6 Ų103.690%0.89785%0.848SS**  trans-139160.5-170.900000115
992G28.6Very low29.6Very low86 Ų86104.5 Ų104.589%0.88784%0.842SS**  trans111.2125.6165.800000116
993G27.4Very low30.2Very low84 Ų84105.2 Ų105.287%0.86684%0.841SS**  trans102.176.5146.400000120
994G27.7Very low31.8Very low83 Ų83103 Ų10386%0.85682%0.823SS**  68.888.5124.600000122.1
995G30.5Very low33.7Very low88 Ų88102.1 Ų102.191%0.90782%0.817SS**  93.5116.8126.400000120
996G26.6Very low36.2Very low77 Ų7799.2 Ų99.279%0.79480%0.795SS**  trans167.889.4165.100000116.4
997A32.2Very low38.9Very low115 Ų11598.5 Ų98.595%0.9577%0.767SS**  trans59.9135.316400000120.2
998G24Very low41.7Very low78 Ų7893.5 Ų93.580%0.80474%0.742SS**  trans168.8131.517100000112.5
999I38.9Very low44.7Very low169 Ų16989.7 Ų89.787%0.86770%0.703SS**  trans-87138.1-178.5-63.6163.8000110.2
1000S28Very low47.4Very low110 Ų11087.4 Ų87.477%0.76968%0.677SS**  trans-155.9112.9160.9-76.40000111.3
1001G35.7Very low50.4Low71 Ų7183.5 Ų83.573%0.73264%0.637SS**  trans-82.1127.3154.500000108A1003G1001-A1003 PolarHBondContact O-N 2.88Å
1002N31.8Very low53.1Low154 Ų15487.5 Ų87.582%0.82463%0.625SS**  trans-68.296.1-176.6-87.7-2.4000111.6V1004N1002-V1004 PolarHBondContact O-N 3.44Å
1003A39.6Very low56Low85 Ų8585.5 Ų85.570%0.70259%0.591SS**  trans-68.1117.3161.600000108.8G1001 V1005G1001-A1003 PolarHBondContact O-N 2.88Å; A1003-V1005 PolarHBondContact O-N 2.95Å
1004V60.5Low58.5Low68 Ų6883.2 Ų83.241%0.41257%0.567SS.*  trans-76.390.9-179.5-1750000109.5N1002 I1101 P1102N1002-V1004 PolarHBondContact O-N 3.44Å; V1004-I1101 HydrophobicContact CG1-CG2 3.85Å; V1004-P1102 HydrophobicContact CG1-CB 4.5Å; V1004-P1102 HydrophobicContact CG1-CG 4.22Å
1005V68.1Low60.7Low107 Ų10786.4 Ų86.465%0.64856%0.56SS**  trans-77.4126.9-178.9-176.60000110.6A1003A1003-V1005 PolarHBondContact O-N 2.95Å
1006P81.8Confident62.6Low57 Ų5784.5 Ų84.537%0.3753%0.529SS..  trans-69.5144.8173-16.329.9000112.5L1070 R1099 I1100 I1101P1006-L1070 HydrophobicContact CB-CD1 3.81Å; P1006-L1070 HydrophobicContact CG-CD1 3.84Å; P1006-R1099 HydrophobicContact CB-CG 4.2Å; P1006-I1100 CarbonylContact C-O 3.53Å; P1006-I1100 WeakPolarHBondContact CA-O 3.48Å; P1006-I1100 WeakPolarHBondContact CB-O 3.37Å; P1006-I1101 HydrophobicContact CB-CG1 4.18Å; P1006-I1101 HydrophobicContact CG-CG1 3.99Å
1007Y85.3Confident65.3Low69 Ų6983.8 Ų83.827%0.27151%0.505SS..EExtended strand (participates in β ladder)trans-129.1150.7-178.667.9-76000111.8V1009 K1062 D1067 I1100 P1102Y1007-V1009 HydrophobicContact CD2-CG2 3.62Å; Y1007-V1009 HydrophobicContact CE2-CG2 3.3Å; Y1007-K1062 HydrophobicContact CE2-CB 4.49Å; Y1007-K1062 WeakPolarHBondContact CE2-O 3.47Å; Y1007-K1062 PolarHBondContact OH-O 3.38Å; Y1007-D1067 PolarHBondContact OH-OD2 2.8Å; Y1007-D1067 VanDerWaalsContact OH-OD2 3.09Å; Y1007-I1100 HydrophobicContact CD1-CB 4.21Å; Y1007-I1100 HydrophobicContact CD1-CG2 4.37Å; Y1007-I1100 WeakPolarHBondContact CD1-O 3.33Å; Y1007-I1100 HydrophobicContact CE1-CB 3.81Å; Y1007-I1100 HydrophobicContact CE1-CG2 3.55Å; Y1007-I1100 HydrophobicContact CE2-CB 4.39Å; Y1007-I1100 PolarHBondContact N-O 3.41Å; Y1007-I1100 PolarHBondContact O-N 2.85Å; Y1007-P1102 HydrophobicContact CD1-CG 4.08Å; Y1007-P1102 HydrophobicContact CE1-CG 3.75Å
1008D87.8Confident67.7Low76 Ų7680.1 Ų80.141%0.40648%0.478SS..EExtended strand (participates in β ladder)trans-97.5131.2-179.2-68.8-29.2000111.5T1097 L1098 R1099D1008-T1097 HydrophobicContact CB-CG2 4.25Å; D1008-L1098 CarbonylContact C-O 3.6Å; D1008-L1098 WeakPolarHBondContact CA-O 3.24Å; D1008-R1099 WeakPolarHBondContact OD1-CA 3.34Å; D1008-R1099 WeakPolarHBondContact OD1-CB 3.49Å; D1008-R1099 VanDerWaalsContact OD1-CG 3.22Å; D1008-R1099 WeakPolarHBondContact OD1-CG 3.34Å; D1008-R1099 IonicContact OD1-CZ 3.85Å; D1008-R1099 IonicContact OD1-NE 2.76Å; D1008-R1099 PolarHBondContact OD1-NE 3.46Å; D1008-R1099 IonicContact OD1-NH2 2.65Å; D1008-R1099 PolarHBondContact OD1-NH2 2.9Å; D1008-R1099 IonicContact OD2-CZ 3.33Å; D1008-R1099 IonicContact OD2-NE 2.65Å; D1008-R1099 IonicContact OD2-NH2 3.87Å; D1008-R1099 PolarHBondContact OD2-NH2 3.49Å
1009V90.3Very high70.8Confident0 Ų077.2 Ų77.20%044%0.444CS..EExtended strand (participates in β ladder)trans-118.6108.6-178.5-177.10000109.4Y1007 I1011 K1062 T1097 L1098 I1100Y1007-V1009 HydrophobicContact CD2-CG2 3.62Å; Y1007-V1009 HydrophobicContact CE2-CG2 3.3Å; V1009-I1011 HydrophobicContact CG1-CD1 4.38Å; V1009-I1011 HydrophobicContact CG1-CG1 3.88Å; V1009-K1062 HydrophobicContact CG1-CB 3.86Å; V1009-K1062 HydrophobicContact CG1-CD 4.46Å; V1009-K1062 HydrophobicContact CG2-CB 3.98Å; V1009-T1097 CarbonylContact O-C 3.46Å; V1009-T1097 WeakPolarHBondContact O-CA 3.25Å; V1009-L1098 PolarHBondContact N-O 3.48Å; V1009-L1098 PolarHBondContact O-N 2.73Å; V1009-I1100 HydrophobicContact CB-CG1 4.38Å; V1009-I1100 HydrophobicContact CG2-CG1 3.84Å
1010E91.2Very high73.1Confident89 Ų8969.8 Ų69.842%0.41641%0.408SS..EExtended strand (participates in β ladder)trans-80.7127.8165.7-171.6178.3126.800110R1012 T1095 V1096E1010-R1012 HydrophobicContact CG-CG 4.13Å; E1010-R1012 WeakPolarHBondContact OE1-CD 3.29Å; E1010-R1012 WeakPolarHBondContact OE1-CG 3.11Å; E1010-R1012 IonicContact OE1-CZ 2.69Å; E1010-R1012 IonicContact OE1-NE 2.69Å; E1010-R1012 IonicContact OE1-NH1 3.36Å; E1010-R1012 PolarHBondContact OE1-NH1 3.24Å; E1010-T1095 HydrophobicContact CG-CG2 3.49Å; E1010-T1095 VanDerWaalsContact CG-CG2 3.49Å; E1010-V1096 WeakPolarHBondContact CA-O 3.15Å
1011I92.5Very high76Confident1 Ų165.8 Ų65.81%0.00538%0.377CS..EExtended strand (participates in β ladder)trans-119.5128.3173.8-46.9179.8000107.4V1009 F1019 F1021 P1056 A1057 L1063 T1095 V1096 L1098V1009-I1011 HydrophobicContact CG1-CD1 4.38Å; V1009-I1011 HydrophobicContact CG1-CG1 3.88Å; I1011-F1019 HydrophobicContact CB-CD1 4.19Å; I1011-F1019 HydrophobicContact CG2-CD1 3.89Å; I1011-F1019 WeakPolarHBondContact O-CE1 3.34Å; I1011-F1021 HydrophobicContact CD1-CD1 4.08Å; I1011-F1021 HydrophobicContact CD1-CE1 3.87Å; I1011-P1056 HydrophobicContact CG2-CB 3.66Å; I1011-A1057 HydrophobicContact CD1-CB 4.11Å; I1011-L1063 HydrophobicContact CD1-CD2 4.1Å; I1011-T1095 WeakPolarHBondContact O-CA 3.42Å; I1011-V1096 HydrophobicContact CB-CG1 4.04Å; I1011-V1096 PolarHBondContact N-O 2.94Å; I1011-V1096 PolarHBondContact O-N 2.87Å; I1011-L1098 HydrophobicContact CD1-CD1 3.77Å; I1011-L1098 HydrophobicContact CD1-CG 4.5Å
1012R87.4Confident78.4Confident170 Ų17065.1 Ų65.164%0.64236%0.359SS*.EExtended strand (participates in β ladder)trans-119.3126.2-177.1-57.2175.275.7103.9-5.9109.4E1010 N1094 T1095E1010-R1012 HydrophobicContact CG-CG 4.13Å; E1010-R1012 WeakPolarHBondContact OE1-CD 3.29Å; E1010-R1012 WeakPolarHBondContact OE1-CG 3.11Å; E1010-R1012 IonicContact OE1-CZ 2.69Å; E1010-R1012 IonicContact OE1-NE 2.69Å; E1010-R1012 IonicContact OE1-NH1 3.36Å; E1010-R1012 PolarHBondContact OE1-NH1 3.24Å; R1012-N1094 WeakPolarHBondContact CA-O 3.47Å; R1012-T1095 HydrophobicContact CG-CG2 4.09Å
1013R89Confident81.1Confident45 Ų4558.8 Ų58.817%0.1733%0.325CS..  trans-115.9146.2179.573.1-174.8-17796.44.7110.5E1017 F1019 P1056 G1093 N1094R1013-E1017 WeakPolarHBondContact CA-OE1 3.45Å; R1013-E1017 HydrophobicContact CB-CG 4.14Å; R1013-E1017 VanDerWaalsContact CD-O 3.28Å; R1013-E1017 WeakPolarHBondContact CD-O 3.46Å; R1013-E1017 PolarHBondContact NH1-O 3.47Å; R1013-F1019 HydrophobicContact CB-CD1 3.86Å; R1013-F1019 HydrophobicContact CB-CE1 3.93Å; R1013-F1019 HydrophobicContact CG-CD1 3.9Å; R1013-F1019 HydrophobicContact CG-CE1 3.57Å; R1013-F1019 HydrophobicContact CG-CE2 4.48Å; R1013-F1019 HydrophobicContact CG-CG 4.47Å; R1013-F1019 HydrophobicContact CG-CZ 3.9Å; R1013-P1056 HydrophobicContact CB-CB 4.32Å; R1013-P1056 HydrophobicContact CB-CG 3.81Å; R1013-G1093 VanDerWaalsContact CZ-O 3.25Å; R1013-G1093 PolarHBondContact NE-O 3.05Å; R1013-G1093 PolarHBondContact NH2-O 3.48Å; R1013-N1094 PolarHBondContact N-O 2.87Å
1014G79.3Confident82.9Confident35 Ų3556.7 Ų56.736%0.36130%0.303SS..  trans-64.1158.6163.600000111.5N1016 E1017G1014-N1016 PolarHBondContact O-N 3.04Å; G1014-E1017 PolarHBondContact N-OE1 3Å; G1014-E1017 PolarHBondContact O-N 2.89Å
1015E73.8Confident83.7Confident151 Ų15154.8 Ų54.871%0.70629%0.293SS*.THydrogen-bonded Turntrans-54.5-28.3-173.1-66.7171.2166.100113.8N1094E1015-N1094 WeakPolarHBondContact CG-ND2 3.42Å
1016N71.3Confident83.1Confident48 Ų4852.3 Ų52.326%0.25728%0.28SS..THydrogen-bonded Turntrans-109.7-2.7-172.5-64.8-40.2000115.1G1014 H1126 P1128G1014-N1016 PolarHBondContact O-N 3.04Å; N1016-H1126 HydrophobicContact CB-CB 3.9Å; N1016-H1126 WeakPolarHBondContact OD1-CB 3.49Å; N1016-H1126 PolarHBondContact OD1-ND1 3.19Å; N1016-P1128 WeakPolarHBondContact ND2-CD 3.43Å; N1016-P1128 WeakPolarHBondContact ND2-CG 3.42Å
1017E81.9Confident81.1Confident61 Ų6156.5 Ų56.529%0.28531%0.305SS..SBendtrans-105157.8174.749.5163.5-171.100111.7R1013 G1014 P1056 R1059R1013-E1017 WeakPolarHBondContact CA-OE1 3.45Å; R1013-E1017 HydrophobicContact CB-CG 4.14Å; R1013-E1017 VanDerWaalsContact CD-O 3.28Å; R1013-E1017 WeakPolarHBondContact CD-O 3.46Å; R1013-E1017 PolarHBondContact NH1-O 3.47Å; G1014-E1017 PolarHBondContact N-OE1 3Å; G1014-E1017 PolarHBondContact O-N 2.89Å; E1017-P1056 HydrophobicContact CG-CG 4.38Å; E1017-P1056 WeakPolarHBondContact OE2-CG 3.2Å; E1017-R1059 VanDerWaalsContact CD-NH2 3.3Å; E1017-R1059 IonicContact OE1-CZ 3.96Å; E1017-R1059 IonicContact OE1-NH2 3.69Å; E1017-R1059 PolarHBondContact OE1-NH2 2.65Å; E1017-R1059 IonicContact OE2-CZ 2.73Å; E1017-R1059 IonicContact OE2-NH1 2.82Å; E1017-R1059 PolarHBondContact OE2-NH1 3.31Å; E1017-R1059 IonicContact OE2-NH2 3.47Å; E1017-R1059 PolarHBondContact OE2-NH2 3.17Å
1018G82.9Confident78.5Confident39 Ų3957.3 Ų57.340%0.40232%0.32SS..  trans-91160.7171.600000112.1G1020 P1056G1018-G1020 PolarHBondContact O-N 3.28Å; G1018-G1020 VanDerWaalsContact O-N 3.12Å; G1018-P1056 VanDerWaalsContact O-CD 3.23Å; G1018-P1056 WeakPolarHBondContact O-CD 3.4Å; G1018-P1056 VanDerWaalsContact O-CG 3.3Å; G1018-P1056 WeakPolarHBondContact O-CG 3.39Å
1019F90.1Very high75.8Confident17 Ų1764.6 Ų64.68%0.07534%0.342CS..  trans-64.4-15.9-178-69.7-68.2000115.1I1011 R1013 F1021 A1057 I1089 G1093 V1096I1011-F1019 HydrophobicContact CB-CD1 4.19Å; I1011-F1019 HydrophobicContact CG2-CD1 3.89Å; I1011-F1019 WeakPolarHBondContact O-CE1 3.34Å; R1013-F1019 HydrophobicContact CB-CD1 3.86Å; R1013-F1019 HydrophobicContact CB-CE1 3.93Å; R1013-F1019 HydrophobicContact CG-CD1 3.9Å; R1013-F1019 HydrophobicContact CG-CE1 3.57Å; R1013-F1019 HydrophobicContact CG-CE2 4.48Å; R1013-F1019 HydrophobicContact CG-CG 4.47Å; R1013-F1019 HydrophobicContact CG-CZ 3.9Å; F1019-F1021 HydrophobicContact CB-CD1 3.96Å; F1019-F1021 HydrophobicContact CB-CE1 3.64Å; F1019-F1021 HydrophobicContact CG-CE1 4.47Å; F1019-A1057 WeakPolarHBondContact O-CB 3.48Å; F1019-A1057 PolarHBondContact O-N 3.27Å; F1019-I1089 HydrophobicContact CD2-CG2 3.69Å; F1019-I1089 HydrophobicContact CE2-CG2 4.02Å; F1019-I1089 WeakPolarHBondContact CE2-O 3.27Å; F1019-G1093 WeakPolarHBondContact CZ-O 3.35Å; F1019-V1096 HydrophobicContact CD1-CG1 3.71Å; F1019-V1096 HydrophobicContact CD2-CG1 4Å; F1019-V1096 HydrophobicContact CE1-CB 4.1Å; F1019-V1096 HydrophobicContact CE1-CG1 3.61Å; F1019-V1096 HydrophobicContact CE2-CB 4.03Å; F1019-V1096 HydrophobicContact CE2-CG1 3.9Å; F1019-V1096 HydrophobicContact CG-CG1 3.92Å; F1019-V1096 HydrophobicContact CZ-CB 3.76Å; F1019-V1096 HydrophobicContact CZ-CG1 3.7Å
1020G86.2Confident73.1Confident12 Ų1269.5 Ų69.512%0.12437%0.374CS..  trans88.215163.700000118G1018 I1052 S1055G1018-G1020 PolarHBondContact O-N 3.28Å; G1018-G1020 VanDerWaalsContact O-N 3.12Å; G1020-I1052 WeakPolarHBondContact O-CB 3.41Å; G1020-I1052 PolarHBondContact O-N 2.82Å; G1020-S1055 WeakPolarHBondContact CA-OG 3.13Å; G1020-S1055 PolarHBondContact O-OG 3.04Å
1021F90Very high70.1Confident27 Ų2774.5 Ų74.512%0.11840%0.397CS..EExtended strand (participates in β ladder)trans-129.9150.6177.266.4-85.7000112I1011 F1019 I1023 I1048 I1051 A1057 L1063 I1069 I1089 L1098I1011-F1021 HydrophobicContact CD1-CD1 4.08Å; I1011-F1021 HydrophobicContact CD1-CE1 3.87Å; F1019-F1021 HydrophobicContact CB-CD1 3.96Å; F1019-F1021 HydrophobicContact CB-CE1 3.64Å; F1019-F1021 HydrophobicContact CG-CE1 4.47Å; F1021-I1023 HydrophobicContact CD2-CG1 4.02Å; F1021-I1023 HydrophobicContact CE2-CD1 3.92Å; F1021-I1023 HydrophobicContact CE2-CG1 3.73Å; F1021-I1048 HydrophobicContact CD2-CD1 3.57Å; F1021-I1048 HydrophobicContact CE2-CD1 4.08Å; F1021-I1048 HydrophobicContact CG-CD1 4.36Å; F1021-I1051 HydrophobicContact CB-CG1 4.39Å; F1021-A1057 HydrophobicContact CB-CB 3.96Å; F1021-A1057 HydrophobicContact CD1-CB 3.88Å; F1021-A1057 HydrophobicContact CG-CB 4.36Å; F1021-L1063 HydrophobicContact CB-CD2 3.91Å; F1021-L1063 HydrophobicContact CD1-CD2 4.21Å; F1021-L1063 HydrophobicContact CD2-CD2 4.33Å; F1021-L1063 HydrophobicContact CG-CD2 3.91Å; F1021-I1069 HydrophobicContact CE2-CD1 4.24Å; F1021-I1089 HydrophobicContact CE2-CD1 4.33Å; F1021-I1089 HydrophobicContact CZ-CD1 4.1Å; F1021-L1098 HydrophobicContact CE1-CD1 4.04Å; F1021-L1098 HydrophobicContact CE2-CD1 4.02Å; F1021-L1098 HydrophobicContact CZ-CD1 3.59Å; F1021-L1098 HydrophobicContact CZ-CD2 4.34Å
1022V85.4Confident67.2Low57 Ų5779.6 Ų79.635%0.34544%0.44SS..EExtended strand (participates in β ladder)trans-107.2126.4-179.6-179.10000109.8G1049 R1050V1022-G1049 PolarHBondContact O-N 3.36Å; V1022-R1050 HydrophobicContact CB-CB 4.08Å; V1022-R1050 HydrophobicContact CG2-CB 4.02Å; V1022-R1050 PolarHBondContact N-O 2.89Å
1023I87.6Confident64.5Low21 Ų2174.9 Ų74.911%0.10844%0.444CS..EExtended strand (participates in β ladder)trans-93.7118.9174.9-54.3177000109.6F1021 H1046 K1047 I1069 I1085 I1089F1021-I1023 HydrophobicContact CD2-CG1 4.02Å; F1021-I1023 HydrophobicContact CE2-CD1 3.92Å; F1021-I1023 HydrophobicContact CE2-CG1 3.73Å; I1023-H1046 HydrophobicContact CG2-CB 4.24Å; I1023-K1047 CarbonylContact C-O 3.59Å; I1023-K1047 WeakPolarHBondContact CA-O 3.09Å; I1023-I1069 HydrophobicContact CD1-CD1 3.73Å; I1023-I1069 HydrophobicContact CG1-CD1 3.85Å; I1023-I1069 HydrophobicContact CG2-CD1 4.44Å; I1023-I1085 HydrophobicContact CD1-CG2 3.88Å; I1023-I1089 HydrophobicContact CD1-CD1 3.44Å; I1023-I1089 VanDerWaalsContact CD1-CD1 3.44Å
1024V79.4Confident61.6Low41 Ų4178.2 Ų78.225%0.24847%0.47CS..EExtended strand (participates in β ladder)trans-90.7115.1167.4172.30000108.3K1047V1024-K1047 HydrophobicContact CB-CG 4.04Å; V1024-K1047 HydrophobicContact CG1-CG 4.44Å; V1024-K1047 PolarHBondContact N-O 2.84Å; V1024-K1047 PolarHBondContact O-N 3.41Å
1025S76.4Confident59.4Low27 Ų2783.7 Ų83.719%0.18950%0.496CS..EExtended strand (participates in β ladder)trans-98120.1169.1-65.70000109.8V1027 P1045 H1046 H1082S1025-V1027 PolarHBondContact O-N 2.76Å; S1025-P1045 CarbonylContact C-O 3.56Å; S1025-P1045 VanDerWaalsContact CA-O 3.31Å; S1025-P1045 WeakPolarHBondContact CA-O 3.49Å; S1025-H1046 PolarHBondContact OG-CE1 3.35Å; S1025-H1046 PolarHBondContact OG-ND1 2.86Å; S1025-H1082 PolarHBondContact OG-ND1 2.83Å
1026S55.1Low57.3Low56 Ų5684.7 Ų84.739%0.39250%0.499SS..  trans-69.2122.917056.70000110.2S1028 P1045S1026-S1028 PolarHBondContact O-N 3.33Å; S1026-P1045 PolarHBondContact N-O 2.95Å; S1026-P1045 WeakPolarHBondContact OG-CA 3.38Å; S1026-P1045 WeakPolarHBondContact OG-CB 3.44Å; S1026-P1045 PolarHBondContact OG-O 3.17Å
1027V39.5Very low55.4Low145 Ų14587.4 Ų87.488%0.87953%0.528SS*.  trans-73.2-12.4-174.9-170.50000112.7S1025 R1029S1025-V1027 PolarHBondContact O-N 2.76Å; V1027-R1029 PolarHBondContact O-N 2.85Å
1028S31.8Very low52.8Low86 Ų8687.1 Ų87.160%0.60154%0.541SS*.  trans-62.495.6168.254.40000111.3S1026 P1030S1026-S1028 PolarHBondContact O-N 3.33Å; S1028-P1030 WeakPolarHBondContact O-CD 3.43Å
1029R30.8Very low50.3Low228 Ų22893.1 Ų93.186%0.8656%0.564SS**PPolyproline II helixtrans-65.5125.6161.8-90.5-170.9169.5-138.5-3.1109.1V1027V1027-R1029 PolarHBondContact O-N 2.85Å
1030P33.6Very low47.6Very low103 Ų10397.4 Ų97.467%0.66960%0.602SS**PPolyproline II helixtrans-70.5140159.4-8.725.9000109.1S1028 A1032S1028-P1030 WeakPolarHBondContact O-CD 3.43Å; P1030-A1032 PolarHBondContact O-N 2.94Å
1031E27.9Very low45.2Very low194 Ų19499.4 Ų99.491%0.90761%0.614SS**PPolyproline II helixtrans-72.2123.7159.5-70.3-162.1121.800109.1G1033E1031-G1033 PolarHBondContact O-N 3.19Å
1032A31.1Very low42.9Very low109 Ų109104 Ų10490%0.90164%0.644SS**SBendtrans-8286.2-170.500000111.6P1030P1030-A1032 PolarHBondContact O-N 2.94Å
1033G31Very low41Very low71 Ų71105.3 Ų105.373%0.73266%0.661SS**  trans-129.23.5-175.900000117E1031E1031-G1033 PolarHBondContact O-N 3.19Å
1034T29.4Very low39.5Very low115 Ų115106.2 Ų106.271%0.70667%0.665SS**  trans-135.2110.3-175.655.70000113.3F1036T1034-F1036 PolarHBondContact O-N 3.34Å
1035T33.1Very low38.6Very low150 Ų150105.7 Ų105.792%0.9266%0.662SS**  trans-84.491.1162.448.50000109.7
1036F29.6Very low38.8Very low172 Ų172104.9 Ų104.975%0.75466%0.656SS**  trans-70.6127169.8-103.4-94.5000110.6T1034T1034-F1036 PolarHBondContact O-N 3.34Å
1037A29.7Very low40.3Very low105 Ų105106.6 Ų106.687%0.86866%0.656SS**  trans-100.7118.6162.400000107.9
1038G28.8Very low42.6Very low54 Ų5499.8 Ų99.856%0.55761%0.614SS**SBendtrans114.8125.5-172.400000112.3
1039N29.3Very low45Very low165 Ų16596.5 Ų96.588%0.88259%0.594SS**  trans56.367.5169-59.3-4.7000116.7C1041N1039-C1041 PolarHBondContact O-N 2.89Å
1040A33.5Very low47.6Very low107 Ų10791.9 Ų91.988%0.88458%0.577SS**  trans-86.5104.7177.800000113.6
1041C36.6Very low50.1Low54 Ų5488.6 Ų88.637%0.36555%0.553SS.*  trans-158.8-24.8162.351.80000115.9N1039 A1043 R1068N1039-C1041 PolarHBondContact O-N 2.89Å; C1041-A1043 PolarHBondContact O-N 3.03Å; C1041-R1068 PolarHBondContact O-NH1 2.91Å
1042V40.8Very low53Low125 Ų12583.8 Ų83.876%0.75853%0.533SS*.THydrogen-bonded Turntrans-100.262.1-168.3-1630000113.6
1043A46.1Very low55.3Low84 Ų8487.2 Ų87.269%0.69453%0.53SS*.THydrogen-bonded Turntrans-15818.8169.800000115.6C1041 P1045C1041-A1043 PolarHBondContact O-N 3.03Å; A1043-P1045 WeakPolarHBondContact O-CD 3.25Å
1044M55.5Low57.5Low39 Ų3985.9 Ų85.919%0.19252%0.516CS..  trans-87113.4178.7-71.9-58.2-55.700111.1H1046 R1068 I1069 L1070 T1078M1044-H1046 VanDerWaalsContact C-N 3.29Å; M1044-H1046 PolarHBondContact O-N 2.85Å; M1044-R1068 HydrophobicContact CB-CB 4.16Å; M1044-I1069 WeakPolarHBondContact CE-O 3.2Å; M1044-L1070 HydrophobicContact CE-CD2 3.89Å; M1044-L1070 HydrophobicContact CG-CD2 4.04Å; M1044-L1070 HydrophobicContact SD-CD2 3.73Å; M1044-T1078 HydrophobicContact CE-CG2 3.9Å; M1044-T1078 HydrophobicContact SD-CG2 3.86Å
1045P60.8Low60.4Low30 Ų3081 Ų8120%0.19549%0.487CS..  trans-79.5-5.1-172.131.6-35.8000114.5S1025 S1026 A1043S1025-P1045 CarbonylContact C-O 3.56Å; S1025-P1045 VanDerWaalsContact CA-O 3.31Å; S1025-P1045 WeakPolarHBondContact CA-O 3.49Å; S1026-P1045 PolarHBondContact N-O 2.95Å; S1026-P1045 WeakPolarHBondContact OG-CA 3.38Å; S1026-P1045 WeakPolarHBondContact OG-CB 3.44Å; S1026-P1045 PolarHBondContact OG-O 3.17Å; A1043-P1045 WeakPolarHBondContact O-CD 3.25Å
1046H81.4Confident63.1Low11 Ų1174 Ų745%0.05144%0.444CS..EExtended strand (participates in β ladder)trans-114110.1-174.2-52.6-53.8000110.9I1023 S1025 M1044 I1069 I1077 I1085I1023-H1046 HydrophobicContact CG2-CB 4.24Å; S1025-H1046 PolarHBondContact OG-CE1 3.35Å; S1025-H1046 PolarHBondContact OG-ND1 2.86Å; M1044-H1046 VanDerWaalsContact C-N 3.29Å; M1044-H1046 PolarHBondContact O-N 2.85Å; H1046-I1069 PolarHBondContact O-N 3.02Å; H1046-I1077 HydrophobicContact CB-CD1 3.91Å; H1046-I1085 VanDerWaalsContact CE1-CD1 3.47Å; H1046-I1085 WeakPolarHBondContact CE1-CD1 3.45Å; H1046-I1085 VanDerWaalsContact NE2-CD1 3.32Å; H1046-I1085 WeakPolarHBondContact NE2-CD1 3.24Å
1047K86.9Confident66Low92 Ų9265.9 Ų65.940%0.441%0.408SS..EExtended strand (participates in β ladder)trans-126.8157.2-179.269.7176.6-176.2174.60113I1023 V1024 G1049 D1067I1023-K1047 CarbonylContact C-O 3.59Å; I1023-K1047 WeakPolarHBondContact CA-O 3.09Å; V1024-K1047 HydrophobicContact CB-CG 4.04Å; V1024-K1047 HydrophobicContact CG1-CG 4.44Å; V1024-K1047 PolarHBondContact N-O 2.84Å; V1024-K1047 PolarHBondContact O-N 3.41Å; K1047-G1049 PolarHBondContact O-N 2.83Å; K1047-D1067 CarbonylContact C-O 3.53Å; K1047-D1067 WeakPolarHBondContact CA-O 3.49Å; K1047-D1067 WeakPolarHBondContact CB-O 3.32Å
1048I86.9Confident68.8Low1 Ų164.3 Ų64.31%0.00539%0.386CS..EExtended strand (participates in β ladder)trans-72.3115.3169-52.9-57.5000108.8F1021 I1051 L1063 K1064 G1066 D1067 I1069F1021-I1048 HydrophobicContact CD2-CD1 3.57Å; F1021-I1048 HydrophobicContact CE2-CD1 4.08Å; F1021-I1048 HydrophobicContact CG-CD1 4.36Å; I1048-I1051 HydrophobicContact CG2-CD1 4.14Å; I1048-I1051 HydrophobicContact CG2-CG1 3.68Å; I1048-L1063 HydrophobicContact CD1-CD1 4.1Å; I1048-L1063 HydrophobicContact CD1-CD2 3.84Å; I1048-L1063 HydrophobicContact CD1-CG 4.23Å; I1048-L1063 HydrophobicContact CG1-CD1 3.9Å; I1048-L1063 HydrophobicContact CG1-CD2 4.12Å; I1048-L1063 HydrophobicContact CG1-CG 3.99Å; I1048-K1064 WeakPolarHBondContact CB-O 3.44Å; I1048-G1066 PolarHBondContact O-N 2.79Å; I1048-D1067 HydrophobicContact CG1-CB 4.01Å; I1048-D1067 PolarHBondContact N-O 3.46Å; I1048-I1069 HydrophobicContact CD1-CD1 3.77Å; I1048-I1069 HydrophobicContact CD1-CG1 4.01Å
1049G81.6Confident71.5Confident17 Ų1768.4 Ų68.418%0.17538%0.384CS..EExtended strand (participates in β ladder)trans-94.4-28.2179.300000114.5V1022 K1047 V1065V1022-G1049 PolarHBondContact O-N 3.36Å; K1047-G1049 PolarHBondContact O-N 2.83Å; G1049-V1065 WeakPolarHBondContact O-CG1 3.47Å
1050R86Confident74.2Confident131 Ų13162.1 Ų62.149%0.49435%0.353SS..EExtended strand (participates in β ladder)trans-154.8145177.4-167179.5-70.1167.61.3108.6V1022 E1117V1022-R1050 HydrophobicContact CB-CB 4.08Å; V1022-R1050 HydrophobicContact CG2-CB 4.02Å; V1022-R1050 PolarHBondContact N-O 2.89Å; R1050-E1117 IonicContact CZ-OE1 2.71Å; R1050-E1117 IonicContact NH1-OE1 2.85Å; R1050-E1117 PolarHBondContact NH1-OE1 2.84Å; R1050-E1117 IonicContact NH2-OE1 2.7Å; R1050-E1117 PolarHBondContact NH2-OE1 3.24Å
1051I86.9Confident76.6Confident34 Ų3460 Ų6017%0.17434%0.342CS..EExtended strand (participates in β ladder)trans-115.6141.3164.9-63176.7000106.2F1021 I1048 A1057 D1058 L1063 V1065F1021-I1051 HydrophobicContact CB-CG1 4.39Å; I1048-I1051 HydrophobicContact CG2-CD1 4.14Å; I1048-I1051 HydrophobicContact CG2-CG1 3.68Å; I1051-A1057 HydrophobicContact CG2-CB 4.2Å; I1051-D1058 HydrophobicContact CG2-CB 3.86Å; I1051-L1063 VanDerWaalsContact CD1-C 3.5Å; I1051-L1063 HydrophobicContact CD1-CB 4.04Å; I1051-L1063 HydrophobicContact CD1-CD2 4.2Å; I1051-L1063 HydrophobicContact CD1-CG 4.03Å; I1051-L1063 WeakPolarHBondContact CD1-O 3.26Å; I1051-V1065 HydrophobicContact CB-CG2 4.4Å; I1051-V1065 HydrophobicContact CD1-CG2 4.48Å; I1051-V1065 HydrophobicContact CG1-CG2 4.09Å
1052I87.7Confident78.8Confident94 Ų9463.1 Ų63.148%0.48235%0.349SS..  trans-92.6124.4-179.1-58.7174.4000108.2G1020 S1055 D1058G1020-I1052 WeakPolarHBondContact O-CB 3.41Å; G1020-I1052 PolarHBondContact O-N 2.82Å; I1052-S1055 WeakPolarHBondContact O-CB 3.41Å; I1052-S1055 PolarHBondContact O-N 2.83Å; I1052-S1055 PolarHBondContact O-OG 3.24Å; I1052-D1058 WeakPolarHBondContact O-CB 3.35Å
1053E80.4Confident81.1Confident180 Ų18057.7 Ų57.784%0.84132%0.315SS*.THydrogen-bonded Turntrans-57.6137.4179.1-166.2171.7173.400111.5S1055E1053-S1055 PolarHBondContact O-N 2.73Å
1054G77.6Confident83Confident43 Ų4360.2 Ų60.244%0.44331%0.311SS..THydrogen-bonded Turntrans73.6-4.5-176.600000116D1058 R1059G1054-D1058 PolarHBondContact N-OD2 2.79Å; G1054-R1059 VanDerWaalsContact O-CD 3.31Å; G1054-R1059 WeakPolarHBondContact O-CD 3.33Å; G1054-R1059 PolarHBondContact O-NH1 2.7Å
1055S89.5Confident84.4Confident12 Ų1262.7 Ų62.78%0.08433%0.328CS..SBendtrans-80.5168.5-178.3790000113.7G1020 I1052 E1053 A1057 D1058 R1059G1020-S1055 WeakPolarHBondContact CA-OG 3.13Å; G1020-S1055 PolarHBondContact O-OG 3.04Å; I1052-S1055 WeakPolarHBondContact O-CB 3.41Å; I1052-S1055 PolarHBondContact O-N 2.83Å; I1052-S1055 PolarHBondContact O-OG 3.24Å; E1053-S1055 PolarHBondContact O-N 2.73Å; S1055-A1057 VanDerWaalsContact C-N 3.27Å; S1055-A1057 PolarHBondContact O-N 3.18Å; S1055-A1057 VanDerWaalsContact O-N 3.16Å; S1055-D1058 WeakPolarHBondContact O-CB 3.49Å; S1055-D1058 PolarHBondContact O-N 2.96Å; S1055-R1059 WeakPolarHBondContact O-CB 3.42Å; S1055-R1059 VanDerWaalsContact O-CG 3.28Å; S1055-R1059 WeakPolarHBondContact O-CG 3.33Å; S1055-R1059 PolarHBondContact O-N 3.49Å
1056P89.2Confident85.2Confident5 Ų562.3 Ų62.33%0.03233%0.329CS..Hα-helixtrans-52.7-37.1178.9-29.636.6000115.6I1011 R1013 E1017 G1018 C1060I1011-P1056 HydrophobicContact CG2-CB 3.66Å; R1013-P1056 HydrophobicContact CB-CB 4.32Å; R1013-P1056 HydrophobicContact CB-CG 3.81Å; E1017-P1056 HydrophobicContact CG-CG 4.38Å; E1017-P1056 WeakPolarHBondContact OE2-CG 3.2Å; G1018-P1056 VanDerWaalsContact O-CD 3.23Å; G1018-P1056 WeakPolarHBondContact O-CD 3.4Å; G1018-P1056 VanDerWaalsContact O-CG 3.3Å; G1018-P1056 WeakPolarHBondContact O-CG 3.39Å; P1056-C1060 WeakPolarHBondContact O-CB 3.31Å; P1056-C1060 PolarHBondContact O-N 2.76Å; P1056-C1060 VanDerWaalsContact O-N 3.08Å
1057A90.6Very high85.5Confident0 Ų062 Ų620%033%0.328CS..Hα-helixtrans-75.2-28.2178.500000113.8I1011 F1019 F1021 I1051 S1055 C1060 L1063I1011-A1057 HydrophobicContact CD1-CB 4.11Å; F1019-A1057 WeakPolarHBondContact O-CB 3.48Å; F1019-A1057 PolarHBondContact O-N 3.27Å; F1021-A1057 HydrophobicContact CB-CB 3.96Å; F1021-A1057 HydrophobicContact CD1-CB 3.88Å; F1021-A1057 HydrophobicContact CG-CB 4.36Å; I1051-A1057 HydrophobicContact CG2-CB 4.2Å; S1055-A1057 VanDerWaalsContact C-N 3.27Å; S1055-A1057 PolarHBondContact O-N 3.18Å; S1055-A1057 VanDerWaalsContact O-N 3.16Å; A1057-C1060 PolarHBondContact O-SG 2.77Å; A1057-L1063 HydrophobicContact CB-CD2 4.06Å
1058D88.6Confident85.6Confident73 Ų7359.4 Ų59.439%0.3932%0.316SS..Hα-helixtrans-75.6-50172.2-175.652.4000110.1I1051 I1052 G1054 S1055 C1060 G1061I1051-D1058 HydrophobicContact CG2-CB 3.86Å; I1052-D1058 WeakPolarHBondContact O-CB 3.35Å; G1054-D1058 PolarHBondContact N-OD2 2.79Å; S1055-D1058 WeakPolarHBondContact O-CB 3.49Å; S1055-D1058 PolarHBondContact O-N 2.96Å; D1058-C1060 PolarHBondContact O-N 3.27Å; D1058-G1061 PolarHBondContact O-N 3.01Å
1059R86.9Confident85.8Confident139 Ų13959.3 Ų59.353%0.52532%0.315SS..Hα-helixtrans-60.5-18.3175.9-62.3-174.3-42-116.312.9114E1017 G1054 S1055E1017-R1059 VanDerWaalsContact CD-NH2 3.3Å; E1017-R1059 IonicContact OE1-CZ 3.96Å; E1017-R1059 IonicContact OE1-NH2 3.69Å; E1017-R1059 PolarHBondContact OE1-NH2 2.65Å; E1017-R1059 IonicContact OE2-CZ 2.73Å; E1017-R1059 IonicContact OE2-NH1 2.82Å; E1017-R1059 PolarHBondContact OE2-NH1 3.31Å; E1017-R1059 IonicContact OE2-NH2 3.47Å; E1017-R1059 PolarHBondContact OE2-NH2 3.17Å; G1054-R1059 VanDerWaalsContact O-CD 3.31Å; G1054-R1059 WeakPolarHBondContact O-CD 3.33Å; G1054-R1059 PolarHBondContact O-NH1 2.7Å; S1055-R1059 WeakPolarHBondContact O-CB 3.42Å; S1055-R1059 VanDerWaalsContact O-CG 3.28Å; S1055-R1059 WeakPolarHBondContact O-CG 3.33Å; S1055-R1059 PolarHBondContact O-N 3.49Å
1060C85.3Confident86Confident33 Ų3360.3 Ų60.322%0.22332%0.316CS..THydrogen-bonded Turntrans-79.8-17.9173.691.30000113.2P1056 A1057 D1058 K1062P1056-C1060 WeakPolarHBondContact O-CB 3.31Å; P1056-C1060 PolarHBondContact O-N 2.76Å; P1056-C1060 VanDerWaalsContact O-N 3.08Å; A1057-C1060 PolarHBondContact O-SG 2.77Å; D1058-C1060 PolarHBondContact O-N 3.27Å; C1060-K1062 WeakPolarHBondContact O-CG 3.35Å; C1060-K1062 PolarHBondContact O-N 2.71Å
1061G82.6Confident86.1Confident63 Ų6354.5 Ų54.565%0.64930%0.296SS*.SBendtrans62.70.4175.300000116.6D1058D1058-G1061 PolarHBondContact O-N 3.01Å
1062K83.8Confident86.3Confident120 Ų12052.9 Ų52.952%0.52229%0.288SS..  trans-106-22.6-171-74.1174.4-178.8-179.80114.1Y1007 V1009 C1060Y1007-K1062 HydrophobicContact CE2-CB 4.49Å; Y1007-K1062 WeakPolarHBondContact CE2-O 3.47Å; Y1007-K1062 PolarHBondContact OH-O 3.38Å; V1009-K1062 HydrophobicContact CG1-CB 3.86Å; V1009-K1062 HydrophobicContact CG1-CD 4.46Å; V1009-K1062 HydrophobicContact CG2-CB 3.98Å; C1060-K1062 WeakPolarHBondContact O-CG 3.35Å; C1060-K1062 PolarHBondContact O-N 2.71Å
1063L88.6Confident86.4Confident10 Ų1051.5 Ų51.55%0.05228%0.282CS..  trans-94.8141.4-179.4-164.171.1000109.6I1011 F1021 I1048 I1051 A1057 L1098 I1100I1011-L1063 HydrophobicContact CD1-CD2 4.1Å; F1021-L1063 HydrophobicContact CB-CD2 3.91Å; F1021-L1063 HydrophobicContact CD1-CD2 4.21Å; F1021-L1063 HydrophobicContact CD2-CD2 4.33Å; F1021-L1063 HydrophobicContact CG-CD2 3.91Å; I1048-L1063 HydrophobicContact CD1-CD1 4.1Å; I1048-L1063 HydrophobicContact CD1-CD2 3.84Å; I1048-L1063 HydrophobicContact CD1-CG 4.23Å; I1048-L1063 HydrophobicContact CG1-CD1 3.9Å; I1048-L1063 HydrophobicContact CG1-CD2 4.12Å; I1048-L1063 HydrophobicContact CG1-CG 3.99Å; I1051-L1063 VanDerWaalsContact CD1-C 3.5Å; I1051-L1063 HydrophobicContact CD1-CB 4.04Å; I1051-L1063 HydrophobicContact CD1-CD2 4.2Å; I1051-L1063 HydrophobicContact CD1-CG 4.03Å; I1051-L1063 WeakPolarHBondContact CD1-O 3.26Å; A1057-L1063 HydrophobicContact CB-CD2 4.06Å; L1063-L1098 HydrophobicContact CD1-CD1 4.42Å; L1063-I1100 HydrophobicContact CD1-CD1 3.62Å; L1063-I1100 HydrophobicContact CD1-CG1 3.87Å
1064K85.9Confident86.5Confident137 Ų13746.3 Ų46.360%0.59628%0.276SS*.  trans-128.9154.3178.1-61.4-175.7-179.6-177.90111.8I1048 G1066 D1067I1048-K1064 WeakPolarHBondContact CB-O 3.44Å; K1064-G1066 PolarHBondContact O-N 2.82Å; K1064-D1067 PolarHBondContact N-OD2 2.7Å; K1064-D1067 VanDerWaalsContact O-CB 3.31Å; K1064-D1067 WeakPolarHBondContact O-CB 3.38Å; K1064-D1067 PolarHBondContact O-N 3.07Å
1065V84.5Confident86.7Confident92 Ų9248.2 Ų48.256%0.55828%0.276SS*.THydrogen-bonded Turntrans-65.8131.2168.8178.70000108.8G1049 I1051G1049-V1065 WeakPolarHBondContact O-CG1 3.47Å; I1051-V1065 HydrophobicContact CB-CG2 4.4Å; I1051-V1065 HydrophobicContact CD1-CG2 4.48Å; I1051-V1065 HydrophobicContact CG1-CG2 4.09Å
1066G78.2Confident86.5Confident21 Ų2150.7 Ų50.722%0.21629%0.294CS..THydrogen-bonded Turntrans101-20.4-17300000114.9I1048 K1064I1048-G1066 PolarHBondContact O-N 2.79Å; K1064-G1066 PolarHBondContact O-N 2.82Å
1067D88.1Confident86.3Confident4 Ų450.5 Ų50.52%0.02129%0.292CS..  trans-60.4146178.8-77.9-13.2000112.6Y1007 K1047 I1048 K1064 I1100 P1102 G1103Y1007-D1067 PolarHBondContact OH-OD2 2.8Å; Y1007-D1067 VanDerWaalsContact OH-OD2 3.09Å; K1047-D1067 CarbonylContact C-O 3.53Å; K1047-D1067 WeakPolarHBondContact CA-O 3.49Å; K1047-D1067 WeakPolarHBondContact CB-O 3.32Å; I1048-D1067 HydrophobicContact CG1-CB 4.01Å; I1048-D1067 PolarHBondContact N-O 3.46Å; K1064-D1067 PolarHBondContact N-OD2 2.7Å; K1064-D1067 VanDerWaalsContact O-CB 3.31Å; K1064-D1067 WeakPolarHBondContact O-CB 3.38Å; K1064-D1067 PolarHBondContact O-N 3.07Å; D1067-I1100 HydrophobicContact CB-CG2 3.63Å; D1067-P1102 WeakPolarHBondContact OD1-CA 3.3Å; D1067-G1103 PolarHBondContact OD1-N 3.37Å
1068R88.4Confident85.6Confident38 Ų3853.4 Ų53.414%0.14331%0.31CS..EExtended strand (participates in β ladder)trans-108126.3-175.9-54.6-178.8-167.6148.415.7110.5C1041 M1044 I1100 I1101 D1104C1041-R1068 PolarHBondContact O-NH1 2.91Å; M1044-R1068 HydrophobicContact CB-CB 4.16Å; R1068-I1100 WeakPolarHBondContact O-CA 3.44Å; R1068-I1101 HydrophobicContact CB-CB 4.29Å; R1068-I1101 PolarHBondContact N-O 2.99Å; R1068-I1101 PolarHBondContact O-N 2.8Å; R1068-D1104 IonicContact CZ-OD2 2.74Å; R1068-D1104 IonicContact NH1-OD2 3.67Å; R1068-D1104 IonicContact NH2-OD2 3.61Å; R1068-D1104 PolarHBondContact NH2-OD2 3.12Å
1069I90.6Very high84.7Confident0 Ų057 Ų570%033%0.33CS..EExtended strand (participates in β ladder)trans-87123.7-178.3-53.1168000109.7F1021 I1023 M1044 H1046 I1048 V1072 I1077 I1100F1021-I1069 HydrophobicContact CE2-CD1 4.24Å; I1023-I1069 HydrophobicContact CD1-CD1 3.73Å; I1023-I1069 HydrophobicContact CG1-CD1 3.85Å; I1023-I1069 HydrophobicContact CG2-CD1 4.44Å; M1044-I1069 WeakPolarHBondContact CE-O 3.2Å; H1046-I1069 PolarHBondContact O-N 3.02Å; I1048-I1069 HydrophobicContact CD1-CD1 3.77Å; I1048-I1069 HydrophobicContact CD1-CG1 4.01Å; I1069-V1072 HydrophobicContact CG2-CG2 4.35Å; I1069-I1077 HydrophobicContact CB-CD1 3.79Å; I1069-I1077 HydrophobicContact CG2-CD1 3.59Å; I1069-I1077 HydrophobicContact CG2-CG1 4.34Å; I1069-I1077 WeakPolarHBondContact O-CD1 3.42Å; I1069-I1100 HydrophobicContact CB-CD1 4.38Å; I1069-I1100 HydrophobicContact CG1-CD1 3.84Å
1070L86.6Confident84.1Confident37 Ų3754.1 Ų54.119%0.19432%0.321CS..EExtended strand (participates in β ladder)trans-90.2-40.3172.8-74-179.2000113.2P1006 M1044 I1077 R1099 I1101P1006-L1070 HydrophobicContact CB-CD1 3.81Å; P1006-L1070 HydrophobicContact CG-CD1 3.84Å; M1044-L1070 HydrophobicContact CE-CD2 3.89Å; M1044-L1070 HydrophobicContact CG-CD2 4.04Å; M1044-L1070 HydrophobicContact SD-CD2 3.73Å; L1070-I1077 WeakPolarHBondContact O-CG1 3.32Å; L1070-I1077 PolarHBondContact O-N 3.26Å; L1070-R1099 HydrophobicContact CB-CB 4.22Å; L1070-R1099 HydrophobicContact CB-CG 4.16Å; L1070-R1099 HydrophobicContact CD1-CG 4.15Å; L1070-R1099 PolarHBondContact N-O 3.37Å; L1070-I1101 HydrophobicContact CD1-CD1 3.82Å; L1070-I1101 HydrophobicContact CD1-CG1 3.82Å; L1070-I1101 HydrophobicContact CD2-CD1 3.71Å; L1070-I1101 HydrophobicContact CD2-CG1 4.44Å; L1070-I1101 HydrophobicContact CG-CD1 3.83Å; L1070-I1101 HydrophobicContact CG-CG1 4Å
1071A88.3Confident83.8Confident9 Ų954.9 Ų54.97%0.07433%0.327CS..EExtended strand (participates in β ladder)trans-152.4156.4-173.300000112.7N1075 L1098 R1099A1071-N1075 CarbonylContact C-O 3.56Å; A1071-N1075 WeakPolarHBondContact CA-O 3.4Å; A1071-N1075 WeakPolarHBondContact CB-O 3.43Å; A1071-L1098 WeakPolarHBondContact O-CA 3.48Å; A1071-R1099 HydrophobicContact CB-CB 3.94Å; A1071-R1099 PolarHBondContact O-N 2.79Å
1072V91.6Very high83.6Confident0 Ų055.8 Ų55.80%031%0.314CS..EExtended strand (participates in β ladder)trans-125.8122.6175.2179.50000108.6I1069 G1074 N1075 I1077 L1088 I1089 V1096 L1098I1069-V1072 HydrophobicContact CG2-CG2 4.35Å; V1072-G1074 PolarHBondContact O-N 3.4Å; V1072-N1075 PolarHBondContact N-O 3.28Å; V1072-N1075 WeakPolarHBondContact O-CB 3.44Å; V1072-N1075 PolarHBondContact O-N 3.49Å; V1072-I1077 HydrophobicContact CB-CG2 4.38Å; V1072-I1077 HydrophobicContact CG2-CG2 3.88Å; V1072-L1088 HydrophobicContact CB-CB 4.27Å; V1072-L1088 HydrophobicContact CG1-CB 4Å; V1072-I1089 HydrophobicContact CG1-CG1 3.7Å; V1072-I1089 HydrophobicContact CG2-CD1 4.29Å; V1072-I1089 HydrophobicContact CG2-CG1 4.03Å; V1072-V1096 HydrophobicContact CG1-CG2 3.65Å; V1072-L1098 HydrophobicContact CB-CD2 4.49Å; V1072-L1098 HydrophobicContact CG1-CD2 4.35Å; V1072-L1098 HydrophobicContact CG2-CD2 3.91Å
1073N88.6Confident83.4Confident66 Ų6653.8 Ų53.835%0.35332%0.315SS..THydrogen-bonded Turntrans4842.9-173.7-693.1000112.5N1075 A1092 V1096 T1097N1073-N1075 PolarHBondContact O-N 3.46Å; N1073-A1092 VanDerWaalsContact ND2-CB 3.28Å; N1073-A1092 WeakPolarHBondContact ND2-CB 3.43Å; N1073-V1096 WeakPolarHBondContact OD1-CA 3.23Å; N1073-T1097 PolarHBondContact N-O 2.97Å; N1073-T1097 PolarHBondContact OD1-N 2.68Å
1074G82.1Confident83Confident70 Ų7056.6 Ų56.672%0.72233%0.33SS*.THydrogen-bonded Turntrans77.5-14.3-17600000115.6V1072 S1076V1072-G1074 PolarHBondContact O-N 3.4Å; G1074-S1076 PolarHBondContact O-N 2.85Å
1075N83.3Confident83Confident83 Ų8350.1 Ų50.144%0.44430%0.302SS..EExtended strand (participates in β ladder)trans-78.4116.6177-64.3-71.2000110.8A1071 V1072 N1073 L1088A1071-N1075 CarbonylContact C-O 3.56Å; A1071-N1075 WeakPolarHBondContact CA-O 3.4Å; A1071-N1075 WeakPolarHBondContact CB-O 3.43Å; V1072-N1075 PolarHBondContact N-O 3.28Å; V1072-N1075 WeakPolarHBondContact O-CB 3.44Å; V1072-N1075 PolarHBondContact O-N 3.49Å; N1073-N1075 PolarHBondContact O-N 3.46Å; N1075-L1088 HydrophobicContact CB-CD1 4.19Å; N1075-L1088 HydrophobicContact CB-CD2 4.44Å
1076S85.3Confident83Confident65 Ų6547.9 Ų47.946%0.45529%0.288SS..EExtended strand (participates in β ladder)trans-59.4138.1175.1-177.80000111.7G1074 T1078 K1080G1074-S1076 PolarHBondContact O-N 2.85Å; S1076-T1078 PolarHBondContact OG-OG1 3.49Å; S1076-K1080 WeakPolarHBondContact O-CE 3.34Å
1077I83.9Confident83.3Confident0 Ų050.5 Ų50.50%030%0.297CS..  trans-106.80.3-179.567.1163.6000114.7H1046 I1069 L1070 V1072 N1079 K1080 I1085 L1088H1046-I1077 HydrophobicContact CB-CD1 3.91Å; I1069-I1077 HydrophobicContact CB-CD1 3.79Å; I1069-I1077 HydrophobicContact CG2-CD1 3.59Å; I1069-I1077 HydrophobicContact CG2-CG1 4.34Å; I1069-I1077 WeakPolarHBondContact O-CD1 3.42Å; L1070-I1077 WeakPolarHBondContact O-CG1 3.32Å; L1070-I1077 PolarHBondContact O-N 3.26Å; V1072-I1077 HydrophobicContact CB-CG2 4.38Å; V1072-I1077 HydrophobicContact CG2-CG2 3.88Å; I1077-N1079 PolarHBondContact O-N 3.05Å; I1077-K1080 HydrophobicContact CG2-CD 4.28Å; I1077-K1080 PolarHBondContact O-N 2.96Å; I1077-I1085 HydrophobicContact CB-CD1 4.04Å; I1077-I1085 HydrophobicContact CB-CG1 3.87Å; I1077-I1085 HydrophobicContact CD1-CD1 4.04Å; I1077-I1085 HydrophobicContact CD1-CG1 4.31Å; I1077-I1085 HydrophobicContact CD1-CG2 4.13Å; I1077-I1085 HydrophobicContact CG2-CG1 3.96Å; I1077-I1085 HydrophobicContact CG2-CG2 4.47Å; I1077-L1088 HydrophobicContact CG2-CD1 4.31Å
1078T77Confident83.3Confident61 Ų6151.4 Ų51.437%0.37430%0.302SS..THydrogen-bonded Turntrans-51.3-31.6-172.453.90000115.7M1044 S1076M1044-T1078 HydrophobicContact CE-CG2 3.9Å; M1044-T1078 HydrophobicContact SD-CG2 3.86Å; S1076-T1078 PolarHBondContact OG-OG1 3.49Å
1079N69.4Low83.2Confident150 Ų15050.5 Ų50.580%0.80230%0.3SS*.THydrogen-bonded Turntrans-121.117.7-177.9-70.9-37.5000113.2I1077I1077-N1079 PolarHBondContact O-N 3.05Å
1080K74.4Confident82.9Confident77 Ų7755.3 Ų55.334%0.33532%0.321SS..  trans-92.9150.5-178.9-78.2-177.4175.9-83.20111.2S1076 I1077 D1084 I1085 L1088S1076-K1080 WeakPolarHBondContact O-CE 3.34Å; I1077-K1080 HydrophobicContact CG2-CD 4.28Å; I1077-K1080 PolarHBondContact O-N 2.96Å; K1080-D1084 HydrophobicContact CB-CB 4.01Å; K1080-D1084 HydrophobicContact CD-CB 4.38Å; K1080-D1084 HydrophobicContact CG-CB 4.3Å; K1080-I1085 HydrophobicContact CB-CD1 4.18Å; K1080-I1085 HydrophobicContact CB-CG1 3.82Å; K1080-L1088 HydrophobicContact CD-CD1 3.57Å
1081S77.9Confident82.7Confident50 Ų5060.8 Ų60.835%0.3535%0.345SS..  trans-71.7159171740000110.5S1083 D1084 I1085S1081-S1083 PolarHBondContact O-N 2.85Å; S1081-D1084 VanDerWaalsContact CB-OD2 3.24Å; S1081-D1084 WeakPolarHBondContact CB-OD2 3.41Å; S1081-D1084 PolarHBondContact N-OD2 3.06Å; S1081-D1084 PolarHBondContact O-N 3.27Å; S1081-D1084 VanDerWaalsContact O-N 3.07Å; S1081-D1084 PolarHBondContact OG-N 2.89Å; S1081-D1084 PolarHBondContact OG-OD2 3.18Å; S1081-I1085 WeakPolarHBondContact O-CD1 3.29Å; S1081-I1085 VanDerWaalsContact O-CG1 3.32Å; S1081-I1085 WeakPolarHBondContact O-CG1 3.47Å; S1081-I1085 PolarHBondContact O-N 2.85Å; S1081-I1085 VanDerWaalsContact O-N 3.1Å
1082H80.1Confident82.5Confident82 Ų8261.1 Ų61.138%0.3835%0.348SS..Hα-helixtrans-53.9-39.3173.8-179.694.9000111.3S1025 I1085 V1086S1025-H1082 PolarHBondContact OG-ND1 2.83Å; H1082-I1085 PolarHBondContact O-N 3.36Å; H1082-V1086 WeakPolarHBondContact O-CG2 3.35Å; H1082-V1086 PolarHBondContact O-N 2.95Å
1083S78.3Confident82.1Confident77 Ų7762.4 Ų62.454%0.53836%0.362SS..Hα-helixtrans-61.3-44.4175.2-48.10000113S1081 I1085 V1086 N1087S1081-S1083 PolarHBondContact O-N 2.85Å; S1083-I1085 VanDerWaalsContact C-N 3.27Å; S1083-I1085 PolarHBondContact O-N 2.9Å; S1083-V1086 PolarHBondContact O-N 3.35Å; S1083-N1087 WeakPolarHBondContact O-CB 3.37Å; S1083-N1087 PolarHBondContact O-N 3.17Å; S1083-N1087 PolarHBondContact O-ND2 2.69Å
1084D81.7Confident82.1Confident70 Ų7062.4 Ų62.437%0.37436%0.361SS..Hα-helixtrans-64-34.1177.5-57.6-52.9000112K1080 S1081 L1088K1080-D1084 HydrophobicContact CB-CB 4.01Å; K1080-D1084 HydrophobicContact CD-CB 4.38Å; K1080-D1084 HydrophobicContact CG-CB 4.3Å; S1081-D1084 VanDerWaalsContact CB-OD2 3.24Å; S1081-D1084 WeakPolarHBondContact CB-OD2 3.41Å; S1081-D1084 PolarHBondContact N-OD2 3.06Å; S1081-D1084 PolarHBondContact O-N 3.27Å; S1081-D1084 VanDerWaalsContact O-N 3.07Å; S1081-D1084 PolarHBondContact OG-N 2.89Å; S1081-D1084 PolarHBondContact OG-OD2 3.18Å; D1084-L1088 WeakPolarHBondContact O-CG 3.32Å; D1084-L1088 PolarHBondContact O-N 3.09Å
1085I84.9Confident82.4Confident1 Ų161 Ų611%0.00534%0.339CS..Hα-helixtrans-72.9-44.3179.9-63.7161.8000110.3I1023 H1046 I1077 K1080 S1081 H1082 S1083 N1087 L1088 I1089I1023-I1085 HydrophobicContact CD1-CG2 3.88Å; H1046-I1085 VanDerWaalsContact CE1-CD1 3.47Å; H1046-I1085 WeakPolarHBondContact CE1-CD1 3.45Å; H1046-I1085 VanDerWaalsContact NE2-CD1 3.32Å; H1046-I1085 WeakPolarHBondContact NE2-CD1 3.24Å; I1077-I1085 HydrophobicContact CB-CD1 4.04Å; I1077-I1085 HydrophobicContact CB-CG1 3.87Å; I1077-I1085 HydrophobicContact CD1-CD1 4.04Å; I1077-I1085 HydrophobicContact CD1-CG1 4.31Å; I1077-I1085 HydrophobicContact CD1-CG2 4.13Å; I1077-I1085 HydrophobicContact CG2-CG1 3.96Å; I1077-I1085 HydrophobicContact CG2-CG2 4.47Å; K1080-I1085 HydrophobicContact CB-CD1 4.18Å; K1080-I1085 HydrophobicContact CB-CG1 3.82Å; S1081-I1085 WeakPolarHBondContact O-CD1 3.29Å; S1081-I1085 VanDerWaalsContact O-CG1 3.32Å; S1081-I1085 WeakPolarHBondContact O-CG1 3.47Å; S1081-I1085 PolarHBondContact O-N 2.85Å; S1081-I1085 VanDerWaalsContact O-N 3.1Å; H1082-I1085 PolarHBondContact O-N 3.36Å; S1083-I1085 VanDerWaalsContact C-N 3.27Å; S1083-I1085 PolarHBondContact O-N 2.9Å; I1085-N1087 VanDerWaalsContact C-N 3.29Å; I1085-N1087 PolarHBondContact O-N 2.75Å; I1085-L1088 PolarHBondContact O-N 2.74Å; I1085-I1089 HydrophobicContact CG2-CD1 4.21Å; I1085-I1089 WeakPolarHBondContact O-CG1 3.29Å; I1085-I1089 PolarHBondContact O-N 3.15Å; I1085-I1089 VanDerWaalsContact O-N 3.14Å
1086V84.9Confident82.9Confident44 Ų4457.1 Ų57.127%0.26732%0.318SS..Hα-helixtrans-61.4-39.7172.8170.60000110.8H1082 S1083 I1089 K1090H1082-V1086 WeakPolarHBondContact O-CG2 3.35Å; H1082-V1086 PolarHBondContact O-N 2.95Å; S1083-V1086 PolarHBondContact O-N 3.35Å; V1086-I1089 PolarHBondContact O-N 2.87Å; V1086-K1090 HydrophobicContact CG1-CD 4.15Å; V1086-K1090 WeakPolarHBondContact O-CG 3.47Å; V1086-K1090 PolarHBondContact O-N 3.46Å
1087N84.2Confident83.2Confident76 Ų7656.3 Ų56.341%0.40631%0.31SS..Hα-helixtrans-65-46.1176.1-71.4-10.7000112S1083 I1085 I1089 K1090 E1091S1083-N1087 WeakPolarHBondContact O-CB 3.37Å; S1083-N1087 PolarHBondContact O-N 3.17Å; S1083-N1087 PolarHBondContact O-ND2 2.69Å; I1085-N1087 VanDerWaalsContact C-N 3.29Å; I1085-N1087 PolarHBondContact O-N 2.75Å; N1087-I1089 PolarHBondContact O-N 3.37Å; N1087-K1090 PolarHBondContact O-N 3.03Å; N1087-E1091 WeakPolarHBondContact O-CB 3.41Å; N1087-E1091 WeakPolarHBondContact O-CG 3.45Å; N1087-E1091 PolarHBondContact O-N 2.72Å
1088L87.1Confident83.7Confident23 Ų2356.3 Ų56.312%0.1231%0.31CS..Hα-helixtrans-57.1-34.1174.6-78.4172.4000113.3V1072 N1075 I1077 K1080 D1084 I1085 A1092V1072-L1088 HydrophobicContact CB-CB 4.27Å; V1072-L1088 HydrophobicContact CG1-CB 4Å; N1075-L1088 HydrophobicContact CB-CD1 4.19Å; N1075-L1088 HydrophobicContact CB-CD2 4.44Å; I1077-L1088 HydrophobicContact CG2-CD1 4.31Å; K1080-L1088 HydrophobicContact CD-CD1 3.57Å; D1084-L1088 WeakPolarHBondContact O-CG 3.32Å; D1084-L1088 PolarHBondContact O-N 3.09Å; I1085-L1088 PolarHBondContact O-N 2.74Å; L1088-A1092 PolarHBondContact O-N 3.38Å
1089I88.1Confident84.3Confident20 Ų2059 Ų5910%0.10331%0.314CS..Hα-helixtrans-77.1-31.2177.2-65167.5000111.4F1019 F1021 I1023 V1072 I1085 V1086 N1087 A1092 V1096F1019-I1089 HydrophobicContact CD2-CG2 3.69Å; F1019-I1089 HydrophobicContact CE2-CG2 4.02Å; F1019-I1089 WeakPolarHBondContact CE2-O 3.27Å; F1021-I1089 HydrophobicContact CE2-CD1 4.33Å; F1021-I1089 HydrophobicContact CZ-CD1 4.1Å; I1023-I1089 HydrophobicContact CD1-CD1 3.44Å; I1023-I1089 VanDerWaalsContact CD1-CD1 3.44Å; V1072-I1089 HydrophobicContact CG1-CG1 3.7Å; V1072-I1089 HydrophobicContact CG2-CD1 4.29Å; V1072-I1089 HydrophobicContact CG2-CG1 4.03Å; I1085-I1089 HydrophobicContact CG2-CD1 4.21Å; I1085-I1089 WeakPolarHBondContact O-CG1 3.29Å; I1085-I1089 PolarHBondContact O-N 3.15Å; I1085-I1089 VanDerWaalsContact O-N 3.14Å; V1086-I1089 PolarHBondContact O-N 2.87Å; N1087-I1089 PolarHBondContact O-N 3.37Å; I1089-A1092 WeakPolarHBondContact O-CB 3.31Å; I1089-V1096 HydrophobicContact CG1-CG2 4.43Å
1090K83.6Confident85.4Confident101 Ų10151.9 Ų51.944%0.43928%0.276SS..Hα-helixtrans-72.9-42.2172.8-72.1175.5177.2-175.40112V1086 N1087 A1092 G1093 T1123V1086-K1090 HydrophobicContact CG1-CD 4.15Å; V1086-K1090 WeakPolarHBondContact O-CG 3.47Å; V1086-K1090 PolarHBondContact O-N 3.46Å; N1087-K1090 PolarHBondContact O-N 3.03Å; K1090-A1092 PolarHBondContact O-N 3.16Å; K1090-G1093 PolarHBondContact O-N 2.92Å; K1090-G1093 VanDerWaalsContact O-N 3.16Å; K1090-T1123 PolarHBondContact NZ-OG1 3.03Å
1091E83.3Confident86Confident151 Ų15149.1 Ų49.171%0.70626%0.264SS*.Hα-helixtrans-65.2-20.7176.7-72.4170.2-172.300112.9N1087 G1093N1087-E1091 WeakPolarHBondContact O-CB 3.41Å; N1087-E1091 WeakPolarHBondContact O-CG 3.45Å; N1087-E1091 PolarHBondContact O-N 2.72Å; E1091-G1093 PolarHBondContact O-N 3.13Å
1092A82.4Confident86.2Confident16 Ų1649 Ų4913%0.13226%0.262CS..THydrogen-bonded Turntrans-64.5-12.5171.900000114.1N1073 L1088 I1089 K1090 N1094 T1095 V1096N1073-A1092 VanDerWaalsContact ND2-CB 3.28Å; N1073-A1092 WeakPolarHBondContact ND2-CB 3.43Å; L1088-A1092 PolarHBondContact O-N 3.38Å; I1089-A1092 WeakPolarHBondContact O-CB 3.31Å; K1090-A1092 PolarHBondContact O-N 3.16Å; A1092-N1094 PolarHBondContact O-N 2.97Å; A1092-T1095 PolarHBondContact O-N 3.05Å; A1092-V1096 HydrophobicContact CB-CB 3.83Å; A1092-V1096 HydrophobicContact CB-CG2 3.88Å
1093G84.8Confident86Confident28 Ų2846.3 Ų46.329%0.28926%0.257SS..THydrogen-bonded Turntrans65.5-118.9-179.800000111.4R1013 F1019 K1090 E1091R1013-G1093 VanDerWaalsContact CZ-O 3.25Å; R1013-G1093 PolarHBondContact NE-O 3.05Å; R1013-G1093 PolarHBondContact NH2-O 3.48Å; F1019-G1093 WeakPolarHBondContact CZ-O 3.35Å; K1090-G1093 PolarHBondContact O-N 2.92Å; K1090-G1093 VanDerWaalsContact O-N 3.16Å; E1091-G1093 PolarHBondContact O-N 3.13Å
1094N88.6Confident85.2Confident65 Ų6546.4 Ų46.435%0.34825%0.251SS..THydrogen-bonded Turntrans-95.5-10.2-174.4-67.2-3.8000114.1R1012 R1013 E1015 A1092R1012-N1094 WeakPolarHBondContact CA-O 3.47Å; R1013-N1094 PolarHBondContact N-O 2.87Å; E1015-N1094 WeakPolarHBondContact CG-ND2 3.42Å; A1092-N1094 PolarHBondContact O-N 2.97Å
1095T88Confident83.6Confident42 Ų4247.2 Ų47.226%0.25827%0.268SS..EExtended strand (participates in β ladder)trans-135.9123-178.6-60.70000110.4E1010 I1011 R1012 A1092E1010-T1095 HydrophobicContact CG-CG2 3.49Å; E1010-T1095 VanDerWaalsContact CG-CG2 3.49Å; I1011-T1095 WeakPolarHBondContact O-CA 3.42Å; R1012-T1095 HydrophobicContact CG-CG2 4.09Å; A1092-T1095 PolarHBondContact O-N 3.05Å
1096V93.7Very high81.5Confident0 Ų056.7 Ų56.70%031%0.312CS..EExtended strand (participates in β ladder)trans-121.6132.5175.870.20000110.9E1010 I1011 F1019 V1072 N1073 I1089 A1092 L1098E1010-V1096 WeakPolarHBondContact CA-O 3.15Å; I1011-V1096 HydrophobicContact CB-CG1 4.04Å; I1011-V1096 PolarHBondContact N-O 2.94Å; I1011-V1096 PolarHBondContact O-N 2.87Å; F1019-V1096 HydrophobicContact CD1-CG1 3.71Å; F1019-V1096 HydrophobicContact CD2-CG1 4Å; F1019-V1096 HydrophobicContact CE1-CB 4.1Å; F1019-V1096 HydrophobicContact CE1-CG1 3.61Å; F1019-V1096 HydrophobicContact CE2-CB 4.03Å; F1019-V1096 HydrophobicContact CE2-CG1 3.9Å; F1019-V1096 HydrophobicContact CG-CG1 3.92Å; F1019-V1096 HydrophobicContact CZ-CB 3.76Å; F1019-V1096 HydrophobicContact CZ-CG1 3.7Å; V1072-V1096 HydrophobicContact CG1-CG2 3.65Å; N1073-V1096 WeakPolarHBondContact OD1-CA 3.23Å; I1089-V1096 HydrophobicContact CG1-CG2 4.43Å; A1092-V1096 HydrophobicContact CB-CB 3.83Å; A1092-V1096 HydrophobicContact CB-CG2 3.88Å; V1096-L1098 HydrophobicContact CG2-CD2 3.86Å
1097T91.5Very high79.5Confident48 Ų4857.8 Ų57.829%0.29432%0.322SS..EExtended strand (participates in β ladder)trans-104.2114173.5-46.60000109.1D1008 V1009 N1073D1008-T1097 HydrophobicContact CB-CG2 4.25Å; V1009-T1097 CarbonylContact O-C 3.46Å; V1009-T1097 WeakPolarHBondContact O-CA 3.25Å; N1073-T1097 PolarHBondContact N-O 2.97Å; N1073-T1097 PolarHBondContact OD1-N 2.68Å
1098L93.7Very high77.2Confident0 Ų059.1 Ų59.10%034%0.337CS..EExtended strand (participates in β ladder)trans-100.9131.2177.2-53.3177.9000109.8D1008 V1009 I1011 F1021 L1063 A1071 V1072 V1096 I1100D1008-L1098 CarbonylContact C-O 3.6Å; D1008-L1098 WeakPolarHBondContact CA-O 3.24Å; V1009-L1098 PolarHBondContact N-O 3.48Å; V1009-L1098 PolarHBondContact O-N 2.73Å; I1011-L1098 HydrophobicContact CD1-CD1 3.77Å; I1011-L1098 HydrophobicContact CD1-CG 4.5Å; F1021-L1098 HydrophobicContact CE1-CD1 4.04Å; F1021-L1098 HydrophobicContact CE2-CD1 4.02Å; F1021-L1098 HydrophobicContact CZ-CD1 3.59Å; F1021-L1098 HydrophobicContact CZ-CD2 4.34Å; L1063-L1098 HydrophobicContact CD1-CD1 4.42Å; A1071-L1098 WeakPolarHBondContact O-CA 3.48Å; V1072-L1098 HydrophobicContact CB-CD2 4.49Å; V1072-L1098 HydrophobicContact CG1-CD2 4.35Å; V1072-L1098 HydrophobicContact CG2-CD2 3.91Å; V1096-L1098 HydrophobicContact CG2-CD2 3.86Å; L1098-I1100 HydrophobicContact CB-CD1 3.71Å; L1098-I1100 HydrophobicContact CB-CG1 4.1Å; L1098-I1100 HydrophobicContact CD1-CD1 4.32Å
1099R90.4Very high74.6Confident119 Ų11963.6 Ų63.645%0.44936%0.361SS..EExtended strand (participates in β ladder)trans-89.2121.2166-173.3161-72.4-179-3.2109P1006 D1008 L1070 A1071P1006-R1099 HydrophobicContact CB-CG 4.2Å; D1008-R1099 WeakPolarHBondContact OD1-CA 3.34Å; D1008-R1099 WeakPolarHBondContact OD1-CB 3.49Å; D1008-R1099 VanDerWaalsContact OD1-CG 3.22Å; D1008-R1099 WeakPolarHBondContact OD1-CG 3.34Å; D1008-R1099 IonicContact OD1-CZ 3.85Å; D1008-R1099 IonicContact OD1-NE 2.76Å; D1008-R1099 PolarHBondContact OD1-NE 3.46Å; D1008-R1099 IonicContact OD1-NH2 2.65Å; D1008-R1099 PolarHBondContact OD1-NH2 2.9Å; D1008-R1099 IonicContact OD2-CZ 3.33Å; D1008-R1099 IonicContact OD2-NE 2.65Å; D1008-R1099 IonicContact OD2-NH2 3.87Å; D1008-R1099 PolarHBondContact OD2-NH2 3.49Å; L1070-R1099 HydrophobicContact CB-CB 4.22Å; L1070-R1099 HydrophobicContact CB-CG 4.16Å; L1070-R1099 HydrophobicContact CD1-CG 4.15Å; L1070-R1099 PolarHBondContact N-O 3.37Å; A1071-R1099 HydrophobicContact CB-CB 3.94Å; A1071-R1099 PolarHBondContact O-N 2.79Å
1100I91.5Very high72Confident0 Ų066.6 Ų66.60%039%0.389CS..EExtended strand (participates in β ladder)trans-117.9138.8-169-58-59.1000111P1006 Y1007 V1009 L1063 D1067 R1068 I1069 L1098P1006-I1100 CarbonylContact C-O 3.53Å; P1006-I1100 WeakPolarHBondContact CA-O 3.48Å; P1006-I1100 WeakPolarHBondContact CB-O 3.37Å; Y1007-I1100 HydrophobicContact CD1-CB 4.21Å; Y1007-I1100 HydrophobicContact CD1-CG2 4.37Å; Y1007-I1100 WeakPolarHBondContact CD1-O 3.33Å; Y1007-I1100 HydrophobicContact CE1-CB 3.81Å; Y1007-I1100 HydrophobicContact CE1-CG2 3.55Å; Y1007-I1100 HydrophobicContact CE2-CB 4.39Å; Y1007-I1100 PolarHBondContact N-O 3.41Å; Y1007-I1100 PolarHBondContact O-N 2.85Å; V1009-I1100 HydrophobicContact CB-CG1 4.38Å; V1009-I1100 HydrophobicContact CG2-CG1 3.84Å; L1063-I1100 HydrophobicContact CD1-CD1 3.62Å; L1063-I1100 HydrophobicContact CD1-CG1 3.87Å; D1067-I1100 HydrophobicContact CB-CG2 3.63Å; R1068-I1100 WeakPolarHBondContact O-CA 3.44Å; I1069-I1100 HydrophobicContact CB-CD1 4.38Å; I1069-I1100 HydrophobicContact CG1-CD1 3.84Å; L1098-I1100 HydrophobicContact CB-CD1 3.71Å; L1098-I1100 HydrophobicContact CB-CG1 4.1Å; L1098-I1100 HydrophobicContact CD1-CD1 4.32Å
1101I87.6Confident69.5Low18 Ų1867 Ų679%0.09240%0.404CS..EExtended strand (participates in β ladder)trans-98.3127.6158.6-75.3170000107.6V1004 P1006 R1068 L1070V1004-I1101 HydrophobicContact CG1-CG2 3.85Å; P1006-I1101 HydrophobicContact CB-CG1 4.18Å; P1006-I1101 HydrophobicContact CG-CG1 3.99Å; R1068-I1101 HydrophobicContact CB-CB 4.29Å; R1068-I1101 PolarHBondContact N-O 2.99Å; R1068-I1101 PolarHBondContact O-N 2.8Å; L1070-I1101 HydrophobicContact CD1-CD1 3.82Å; L1070-I1101 HydrophobicContact CD1-CG1 3.82Å; L1070-I1101 HydrophobicContact CD2-CD1 3.71Å; L1070-I1101 HydrophobicContact CD2-CG1 4.44Å; L1070-I1101 HydrophobicContact CG-CD1 3.83Å; L1070-I1101 HydrophobicContact CG-CG1 4Å
1102P82.9Confident67.2Low48 Ų4866.3 Ų66.331%0.31241%0.405SS..PPolyproline II helixtrans-52.8136.8173-23.930.3000112.8V1004 Y1007 D1067V1004-P1102 HydrophobicContact CG1-CB 4.5Å; V1004-P1102 HydrophobicContact CG1-CG 4.22Å; Y1007-P1102 HydrophobicContact CD1-CG 4.08Å; Y1007-P1102 HydrophobicContact CE1-CG 3.75Å; D1067-P1102 WeakPolarHBondContact OD1-CA 3.3Å
1103G74.7Confident64.9Low25 Ų2569.4 Ų69.426%0.25842%0.419SS..PPolyproline II helixtrans-75.5135.9171.600000113.2D1067 A1105D1067-G1103 PolarHBondContact OD1-N 3.37Å; G1103-A1105 PolarHBondContact O-N 2.59Å
1104D61Low62.6Low79 Ų7973.8 Ų73.842%0.42244%0.44SS..PPolyproline II helixtrans-65.6118.8176-52.5-68.9000111.1R1068 E1106 S1107R1068-D1104 IonicContact CZ-OD2 2.74Å; R1068-D1104 IonicContact NH1-OD2 3.67Å; R1068-D1104 IonicContact NH2-OD2 3.61Å; R1068-D1104 PolarHBondContact NH2-OD2 3.12Å; D1104-E1106 VanDerWaalsContact C-N 3.26Å; D1104-E1106 PolarHBondContact O-N 3.11Å; D1104-E1106 VanDerWaalsContact O-N 3.16Å; D1104-S1107 WeakPolarHBondContact O-CB 3.42Å; D1104-S1107 PolarHBondContact O-N 3.21Å; D1104-S1107 PolarHBondContact O-OG 3.07Å
1105A48.1Very low59.9Low88 Ų8877.8 Ų77.873%0.72746%0.461SS*.G310 helixtrans-63-25.8-167.800000115G1103 S1107 S1108G1103-A1105 PolarHBondContact O-N 2.59Å; A1105-S1107 PolarHBondContact O-N 3.06Å; A1105-S1108 PolarHBondContact O-OG 2.97Å
1106E42.4Very low57.3Low199 Ų19978.2 Ų78.293%0.9347%0.469SS*.G310 helixtrans-75.5-9.1177.6-60.5-169.7150.300113.1D1104 S1108D1104-E1106 VanDerWaalsContact C-N 3.26Å; D1104-E1106 PolarHBondContact O-N 3.11Å; D1104-E1106 VanDerWaalsContact O-N 3.16Å; E1106-S1108 PolarHBondContact O-N 3.35Å
1107S42.1Very low54.3Low68 Ų6884.3 Ų84.348%0.47650%0.498SS..G310 helixtrans-7920.6-179.469.20000115D1104 A1105 N1109D1104-S1107 WeakPolarHBondContact O-CB 3.42Å; D1104-S1107 PolarHBondContact O-N 3.21Å; D1104-S1107 PolarHBondContact O-OG 3.07Å; A1105-S1107 PolarHBondContact O-N 3.06Å; S1107-N1109 PolarHBondContact O-N 3.26Å
1108S36Very low51.5Low103 Ų10391.8 Ų91.872%0.7253%0.526SS*.  trans-73.147.4-170.1-65.90000115.5A1105 E1106 A1110A1105-S1108 PolarHBondContact O-OG 2.97Å; E1106-S1108 PolarHBondContact O-N 3.35Å; S1108-A1110 VanDerWaalsContact C-N 3.34Å; S1108-A1110 PolarHBondContact O-N 2.82Å
1109N33.2Very low48.7Very low118 Ų11899.1 Ų99.163%0.63156%0.564SS**  trans-76.279172.2-80.6-70.6000111.6S1107 S1111S1107-N1109 PolarHBondContact O-N 3.26Å; N1109-S1111 PolarHBondContact O-N 2.77Å
1110A32.3Very low45.7Very low82 Ų8297.3 Ų97.368%0.67857%0.574SS**G310 helixtrans-67.3-21.2174.100000113.5S1108 L1112S1108-A1110 VanDerWaalsContact C-N 3.34Å; S1108-A1110 PolarHBondContact O-N 2.82Å; A1110-L1112 VanDerWaalsContact C-N 3.31Å; A1110-L1112 PolarHBondContact O-N 2.98Å
1111S30.9Very low42.6Very low110 Ų110103.6 Ų103.677%0.76961%0.613SS**G310 helixtrans-79.76.2-167.5-42.10000116.5N1109N1109-S1111 PolarHBondContact O-N 2.77Å
1112L35.3Very low39.9Very low137 Ų137110.4 Ų110.472%0.71765%0.648SS**G310 helixtrans-120.720.6-173.8-67.1176.2000114A1110A1110-L1112 VanDerWaalsContact C-N 3.31Å; A1110-L1112 PolarHBondContact O-N 2.98Å
1113L35.2Very low37.1Very low81 Ų81112.3 Ų112.342%0.42466%0.659SS.*  trans-116.231.4-173.4-67.2177.1000114.8
1114T35.5Very low34.9Very low120 Ų120114.4 Ų114.474%0.73667%0.667SS**THydrogen-bonded Turntrans-73-26.3170.952.50000113.4
1115N31.6Very low33.2Very low148 Ų148117.4 Ų117.479%0.79169%0.688SS**THydrogen-bonded Turntrans-95.910.3-168.6-62.20.4000113.7
1116A33.4Very low32.2Very low52 Ų52119.1 Ų119.143%0.4368%0.681SS.*SBendtrans-92.6-19.4-171.800000114.8K1118A1116-K1118 PolarHBondContact O-N 2.66Å
1117E31.8Very low31.6Very low128 Ų128115.6 Ų115.660%0.59867%0.673SS**THydrogen-bonded Turntrans-90.67.3-165.9-65.8-174.1147.600115R1050R1050-E1117 IonicContact CZ-OE1 2.71Å; R1050-E1117 IonicContact NH1-OE1 2.85Å; R1050-E1117 PolarHBondContact NH1-OE1 2.84Å; R1050-E1117 IonicContact NH2-OE1 2.7Å; R1050-E1117 PolarHBondContact NH2-OE1 3.24Å
1118K31.6Very low31Very low204 Ų204116.9 Ų116.989%0.88768%0.679SS**THydrogen-bonded Turntrans-95.33.1171.2-89.5-171.9174.5-178.70115.5A1116A1116-K1118 PolarHBondContact O-N 2.66Å
1119I35Very low30.5Very low155 Ų155119.7 Ų119.780%0.79568%0.681SS**SBendtrans-136.548.9-178.6-36.8-179.5000112.9
1120A27.3Very low30.3Very low81 Ų81121.1 Ų121.167%0.66968%0.684SS**  trans-153.945.7176.900000115.8
1121T27.6Very low30.1Very low132 Ų132125.9 Ų125.981%0.8169%0.692SS**  trans-131.9102.8174.7-47.50000112.1
1122I29.1Very low29.9Very low160 Ų160125.8 Ų125.882%0.82170%0.698SS**  trans167.3110.6150.6-87.4152000106.6
1123T25.7Very low29.4Very low88 Ų88123.7 Ų123.754%0.5470%0.701SS.*SBendtrans161139136.9-49.60000108.3K1090K1090-T1123 PolarHBondContact NZ-OG1 3.03Å
1124T28Very low29.6Very low70 Ų70125 Ų12543%0.42971%0.714SS.*  trans74.987.7170.4-41.10000117
1125T25.2Very low29Very low141 Ų141128.2 Ų128.287%0.86572%0.721SS**  trans-116.2137.1133.8-51.10000106.3
1126H27.6Very low28.8Very low125 Ų125125.4 Ų125.458%0.57972%0.718SS**  trans-150.9140.5-172.5-133.4-95.9000109.9N1016N1016-H1126 HydrophobicContact CB-CB 3.9Å; N1016-H1126 WeakPolarHBondContact OD1-CB 3.49Å; N1016-H1126 PolarHBondContact OD1-ND1 3.19Å
1127T28.3Very low28.3Very low125 Ų125127.8 Ų127.877%0.76773%0.732SS**  trans-120.1146.6-174.444.80000112.6
1128P29.8Very low28Very low94 Ų94132.8 Ų132.861%0.6175%0.745SS**  trans-118.3163.115139.9-29.4000109.8N1016N1016-P1128 WeakPolarHBondContact ND2-CD 3.43Å; N1016-P1128 WeakPolarHBondContact ND2-CG 3.42Å
1129Q26Very low27.7Very low163 Ų163129 Ų12976%0.76274%0.739SS**  cis-158.3173.613.7-144.3-177.638.700112
1130Q28.9Very low27.2Very low148 Ų148128.8 Ų128.869%0.69274%0.74SS**  trans82.792.5155.9-67.9177.825.700121.5
1131Q28.6Very low27.2Very low182 Ų182131 Ų13185%0.8574%0.744SS**  74143.7116.5-74.4-179.3-19.200123.5
1132A26.6Very low27.1Very low107 Ų107134.2 Ų134.288%0.88475%0.747SS**  trans83147159.800000120
1133A24.1Very low27.3Very low94 Ų94132.5 Ų132.578%0.77775%0.747SS**  trans-143.6165.8174.300000106
1134P40.5Very low27.2Very low107 Ų107135.3 Ų135.370%0.69575%0.752SS**  cis-144.1-171.623.745-25.8000117.2
1135E23.1Very low27Very low189 Ų189140.9 Ų140.988%0.88377%0.773SS**  trans77.1159.9151.5-80.3177.5-176.300123.1
1136A25.9Very low26.9Very low89 Ų89138.8 Ų138.874%0.73675%0.753SS**  trans74.388.1158.200000122.8
1137S23.3Very low26.6Very low102 Ų102137.8 Ų137.871%0.71376%0.76SS**  36.5133.8124.766.40000124.9
1138R26.7Very low26.4Very low233 Ų233140.1 Ų140.188%0.87976%0.756SS**  trans86.8138.1136.8-79.5176.6173.7179.6-2.1123
1139T24.7Very low26.1Very low125 Ų125143.9 Ų143.977%0.76777%0.765SS**  trans66.2104.4144.449.60000123.9
1140N25.4Very low26.3Very low150 Ų150144.2 Ų144.280%0.80276%0.764SS**  48.8150.5113-154.115000123.2
1141T25.4Very low26.2Very low126 Ų126143 Ų14377%0.77376%0.763SS**  trans101.9141.6158.269.10000121.6
1142K25.9Very low26.2Very low200 Ų200141 Ų14187%0.8776%0.763SS**  trans-85.3174.9169-112.4-180179.4175.90109.3
1143P34.6Very low27.3Very low124 Ų124140.8 Ų140.881%0.80575%0.753SS**  cis-149.9-169.436.343.9-21.4000118.9
1144K23.6Very low28Very low148 Ų148142.5 Ų142.564%0.64376%0.756SS**  trans-63.1144.1179.2-178.2-159.2-165.4-140.70117.4E1146K1144-E1146 VanDerWaalsContact CE-CD 3.42Å; K1144-E1146 WeakPolarHBondContact CE-OE1 3.48Å; K1144-E1146 WeakPolarHBondContact CE-OE2 3.28Å; K1144-E1146 IonicContact NZ-OE1 3.12Å; K1144-E1146 PolarHBondContact NZ-OE1 3.32Å; K1144-E1146 IonicContact NZ-OE2 2.68Å; K1144-E1146 PolarHBondContact NZ-OE2 3.48Å
1145Q23.1Very low27.3Very low187 Ų187144 Ų14487%0.87476%0.758SS**  trans-175152.2138.8-108.1174.4-9.600110.7
1146E22.3Very low28.2Very low97 Ų97140.6 Ų140.645%0.45375%0.753SS.*  cis126.791.4-23.7-167.8174.4-126.900116.6K1144 Y1148K1144-E1146 VanDerWaalsContact CE-CD 3.42Å; K1144-E1146 WeakPolarHBondContact CE-OE1 3.48Å; K1144-E1146 WeakPolarHBondContact CE-OE2 3.28Å; K1144-E1146 IonicContact NZ-OE1 3.12Å; K1144-E1146 PolarHBondContact NZ-OE1 3.32Å; K1144-E1146 IonicContact NZ-OE2 2.68Å; K1144-E1146 PolarHBondContact NZ-OE2 3.48Å; E1146-Y1148 HydrophobicContact CG-CE1 4.43Å
1147S21.7Very low29.4Very low103 Ų103140.8 Ų140.872%0.7275%0.746SS**  trans-168120.6162.741.40000113.6
1148Y24.1Very low29.6Very low175 Ų175142.7 Ų142.769%0.68675%0.748SS**  81.1110.482.5-45.3-35.7000113.7E1146E1146-Y1148 HydrophobicContact CG-CE1 4.43Å
1149E23.7Very low29.5Very low173 Ų173139.8 Ų139.881%0.80874%0.744SS**  100160.364.2-86.6-166.4131.100112.8
1150F29.4Very low30.8Very low169 Ų169139.3 Ų139.374%0.74174%0.743SS**  cis-175.1-171.3-27.3-169.9-111.7000109.9
1151N28Very low31.5Very low123 Ų123137.4 Ų137.466%0.65874%0.739SS**  trans86.2151.6170.2-59.3-75000116.9
1152T27.2Very low31.6Very low139 Ų139138.7 Ų138.785%0.85374%0.739SS**  cis-137.3169.435.237.70000116.7
1153P49.6Very low32.2Very low104 Ų104137.5 Ų137.568%0.67574%0.737SS**  trans-121-163.9-149.744.5-30.7000115.9
1154P39.5Very low32Very low129 Ų129137 Ų13784%0.83873%0.732SS**  -132.4172.480.633.1-16.3000117
1155N26Very low32.1Very low138 Ų138136.3 Ų136.374%0.73874%0.735SS**  trans-124.8-165.4-175.9-141.61.7000108.4
1156P41.8Very low32.5Very low119 Ų119131.7 Ų131.777%0.77372%0.724SS**  cis-135.6-179.115.638.3-14.9000117.7
1157P50.8Low32.8Very low92 Ų92133.6 Ų133.660%0.59774%0.742SS**  trans-136.2-159.6-160.435.9-12.7000116.6
1158L27.5Very low33.6Very low142 Ų142136.3 Ų136.374%0.74374%0.744SS**  trans124.3113.9145.5-64.2169.4000119.9
1159Q25.9Very low34.1Very low173 Ų173137.5 Ų137.581%0.80876%0.755SS**  29.2163.8121-66.5-176.9-2.200122.9
1160P52.2Low34.9Very low115 Ų115135.9 Ų135.975%0.74775%0.752SS**  cis-124.8-140.3-14.636.3-13.9000109.8
1161P39.7Very low36Very low110 Ų110130.3 Ų130.371%0.71473%0.734SS**  cis-135.4-174.5-17.941.5-21.9000116.9
1162I26.5Very low37.9Very low152 Ų152131.5 Ų131.578%0.77974%0.736SS**  trans17.2119.5157.9-59.1171.4000121.8
1163Q38.4Very low40.7Very low175 Ų175130.3 Ų130.382%0.81872%0.719SS**  trans11.1147.2141.7-48.7-179.14.100120.9
1164T30.3Very low42.8Very low115 Ų115127 Ų12771%0.70669%0.693SS**  cis-119-153.511.553.30000111.2
1165D25.9Very low45.3Very low132 Ų132123.5 Ų123.571%0.70667%0.672SS**  cis-159.2175.74.2-134.9-50.8000114.2
1166S31.7Very low48.5Very low91 Ų91117 Ų11764%0.63664%0.637SS**  trans32.7112159.570.30000120.8
1167T28.1Very low50.9Low137 Ų137114.5 Ų114.584%0.8462%0.617SS**  trans-177.317413119.10000112.8
1168Q39.6Very low52.9Low160 Ų160110.2 Ų110.275%0.74859%0.589SS**  trans-53.9158.3-174-61.3141.9-67.500115.8
1169Q33.4Very low55.8Low199 Ų199109.6 Ų109.693%0.9358%0.583SS**  trans-115.7113.5147.9-80.6-166.2-27.100110
1170D41.8Very low58.7Low139 Ų139107.4 Ų107.474%0.74357%0.567SS**  trans-68.2151.4171.4-96.2-47.5000111.9E1172D1170-E1172 PolarHBondContact O-N 2.95Å
1171S51.5Low60.1Low53 Ų53103.8 Ų103.837%0.37154%0.541SS..  trans-75.2114.6160.8-74.20000109F1173 K1254S1171-F1173 VanDerWaalsContact O-CD2 3.22Å; S1171-F1173 WeakPolarHBondContact O-CD2 3.2Å; S1171-F1173 WeakPolarHBondContact O-CE2 3.4Å; S1171-F1173 PolarHBondContact O-N 2.9Å; S1171-K1254 WeakPolarHBondContact OG-CE 3.49Å
1172E67.6Low61.8Low148 Ų148104.7 Ų104.769%0.69255%0.551SS**  trans-67.995.9179-168.3-177-142.500111.1D1170D1170-E1172 PolarHBondContact O-N 2.95Å
1173F87.8Confident64Low113 Ų113105.1 Ų105.150%0.49655%0.547SS..EExtended strand (participates in β ladder)trans-85.8140.1170.4-50.3-62.2000110.3S1171 L1223 L1253 K1254S1171-F1173 VanDerWaalsContact O-CD2 3.22Å; S1171-F1173 WeakPolarHBondContact O-CD2 3.2Å; S1171-F1173 WeakPolarHBondContact O-CE2 3.4Å; S1171-F1173 PolarHBondContact O-N 2.9Å; F1173-L1223 HydrophobicContact CD1-CD1 3.4Å; F1173-L1223 VanDerWaalsContact CD1-CD1 3.4Å; F1173-L1223 HydrophobicContact CE1-CD1 3.4Å; F1173-L1223 HydrophobicContact CG-CD1 4.36Å; F1173-L1223 HydrophobicContact CZ-CD1 4.34Å; F1173-L1253 CarbonylContact C-O 3.51Å; F1173-L1253 WeakPolarHBondContact CA-O 3.34Å; F1173-K1254 HydrophobicContact CD1-CB 3.82Å; F1173-K1254 HydrophobicContact CD1-CG 3.9Å; F1173-K1254 HydrophobicContact CE1-CB 3.99Å; F1173-K1254 HydrophobicContact CE1-CD 4.02Å; F1173-K1254 HydrophobicContact CE1-CG 3.76Å
1174Y92.4Very high66.3Low35 Ų3597.6 Ų97.614%0.13752%0.516CS..EExtended strand (participates in β ladder)trans-145.5150.3-178.477.5-78.5000111.3V1176 K1215 M1216 D1220 L1253 R1255Y1174-V1176 HydrophobicContact CD2-CG2 3.9Å; Y1174-V1176 HydrophobicContact CE2-CG2 3.37Å; Y1174-K1215 HydrophobicContact CD2-CB 4.34Å; Y1174-K1215 HydrophobicContact CE2-CB 3.83Å; Y1174-K1215 PolarHBondContact OH-O 3.32Å; Y1174-M1216 WeakPolarHBondContact OH-CA 3.49Å; Y1174-D1220 PolarHBondContact OH-OD2 2.87Å; Y1174-L1253 HydrophobicContact CD1-CB 4.36Å; Y1174-L1253 WeakPolarHBondContact CD1-O 3.03Å; Y1174-L1253 HydrophobicContact CE1-CB 3.73Å; Y1174-L1253 HydrophobicContact CE2-CD1 4.4Å; Y1174-L1253 PolarHBondContact N-O 2.84Å; Y1174-L1253 PolarHBondContact O-N 2.8Å; Y1174-R1255 VanDerWaalsContact CE1-CZ 3.43Å; Y1174-R1255 VanDerWaalsContact CE1-NH2 3.27Å; Y1174-R1255 PolarHBondContact OH-NH1 3.36Å
1175S92.4Very high69.2Low55 Ų5593 Ų9339%0.38549%0.486SS..EExtended strand (participates in β ladder)trans-108.7151.4-178.162.10000114.4L1251S1175-L1251 CarbonylContact C-O 3.47Å; S1175-L1251 VanDerWaalsContact CA-O 3.25Å; S1175-L1251 WeakPolarHBondContact CA-O 3.36Å
1176V93.2Very high72.2Confident1 Ų187 Ų871%0.00646%0.456CS..EExtended strand (participates in β ladder)trans-137.7119.9-175.7-1740000110.6Y1174 L1178 N1213 K1215 M1216 L1251 L1253Y1174-V1176 HydrophobicContact CD2-CG2 3.9Å; Y1174-V1176 HydrophobicContact CE2-CG2 3.37Å; V1176-L1178 HydrophobicContact CG1-CD2 3.55Å; V1176-L1178 HydrophobicContact CG1-CG 3.82Å; V1176-N1213 WeakPolarHBondContact CG1-OD1 3.31Å; V1176-K1215 HydrophobicContact CG2-CB 4.04Å; V1176-K1215 HydrophobicContact CG2-CD 4.33Å; V1176-M1216 HydrophobicContact CG1-SD 4.32Å; V1176-M1216 HydrophobicContact CG2-CG 4.29Å; V1176-L1251 PolarHBondContact N-O 2.8Å; V1176-L1251 PolarHBondContact O-N 2.91Å; V1176-L1253 HydrophobicContact CB-CD1 4.09Å; V1176-L1253 HydrophobicContact CG2-CD1 3.7Å
1177D92.1Very high75.1Confident67 Ų6784.2 Ų84.236%0.35843%0.432SS..EExtended strand (participates in β ladder)trans-89123.8162.6-82.6-87.8000110.4N1213 R1248 H1250D1177-N1213 PolarHBondContact O-ND2 2.74Å; D1177-R1248 IonicContact OD1-CZ 3.67Å; D1177-R1248 IonicContact OD1-NE 3.54Å; D1177-R1248 IonicContact OD1-NH2 2.71Å; D1177-R1248 PolarHBondContact OD1-NH2 2.71Å; D1177-H1250 IonicContact OD1-ND1 3.49Å; D1177-H1250 PolarHBondContact OD1-ND1 2.99Å; D1177-H1250 IonicContact OD2-CE1 3.45Å; D1177-H1250 PolarHBondContact OD2-CE1 3.05Å; D1177-H1250 IonicContact OD2-ND1 2.92Å; D1177-H1250 PolarHBondContact OD2-ND1 3.09Å
1178L92.5Very high78.1Confident3 Ų380.5 Ų80.52%0.01641%0.412CS..EExtended strand (participates in β ladder)trans-116136.7172.4-59.5-178.8000110.9V1176 F1185 F1187 A1210 N1213 M1216 R1248 V1249 L1251V1176-L1178 HydrophobicContact CG1-CD2 3.55Å; V1176-L1178 HydrophobicContact CG1-CG 3.82Å; L1178-F1185 HydrophobicContact CB-CD1 3.92Å; L1178-F1185 HydrophobicContact CD1-CB 4.35Å; L1178-F1185 WeakPolarHBondContact O-CE1 3.31Å; L1178-F1187 HydrophobicContact CD1-CD1 3.74Å; L1178-F1187 HydrophobicContact CD1-CE1 3.76Å; L1178-A1210 HydrophobicContact CD1-CB 3.85Å; L1178-A1210 HydrophobicContact CD2-CB 4.43Å; L1178-N1213 HydrophobicContact CD2-CB 3.59Å; L1178-M1216 HydrophobicContact CD1-CE 4.37Å; L1178-M1216 HydrophobicContact CD1-SD 4.05Å; L1178-R1248 VanDerWaalsContact O-CA 3.31Å; L1178-R1248 WeakPolarHBondContact O-CA 3.47Å; L1178-V1249 HydrophobicContact CB-CG1 3.96Å; L1178-V1249 PolarHBondContact N-O 3.42Å; L1178-V1249 PolarHBondContact O-N 3.36Å; L1178-L1251 HydrophobicContact CD1-CD1 4.29Å
1179E88.8Confident80.6Confident129 Ų12973.9 Ų73.960%0.60338%0.382SS*.EExtended strand (participates in β ladder)trans-99.8143.3170.5-54-147.3128.300110.7D1181 A1209 R1248E1179-D1181 PolarHBondContact O-N 3.49Å; E1179-A1209 WeakPolarHBondContact O-CB 3.26Å; E1179-R1248 HydrophobicContact CG-CG 4.09Å; E1179-R1248 WeakPolarHBondContact OE1-CD 3.48Å
1180R87.2Confident83.4Confident126 Ų12666 Ų6648%0.47534%0.344SS..  trans-83.4116.2-173.2-166.2173.8175.9171.5-0.3111.8F1185 G1246 R1247R1180-F1185 HydrophobicContact CB-CD1 4Å; R1180-F1185 HydrophobicContact CB-CE1 3.56Å; R1180-F1185 HydrophobicContact CB-CZ 3.86Å; R1180-F1185 HydrophobicContact CG-CD1 4.46Å; R1180-F1185 HydrophobicContact CG-CE1 4.24Å; R1180-F1185 HydrophobicContact CG-CE2 4.41Å; R1180-F1185 HydrophobicContact CG-CZ 4.22Å; R1180-G1246 WeakPolarHBondContact CD-O 3.31Å; R1180-G1246 PolarHBondContact NH1-O 2.98Å; R1180-R1247 WeakPolarHBondContact CB-O 3.47Å; R1180-R1247 PolarHBondContact N-O 3.32Å
1181D81.9Confident85.7Confident39 Ų3959.4 Ų59.421%0.20931%0.308CS..BIsolated β-bridgetrans-89.5-177.7171.669.346.5000112.2E1179 K1183 G1184 A1209 R1212E1179-D1181 PolarHBondContact O-N 3.49Å; D1181-K1183 PolarHBondContact O-N 2.83Å; D1181-K1183 VanDerWaalsContact OD1-CA 3.29Å; D1181-K1183 WeakPolarHBondContact OD1-CA 3.26Å; D1181-K1183 WeakPolarHBondContact OD1-CB 3.33Å; D1181-K1183 PolarHBondContact OD1-N 2.79Å; D1181-G1184 PolarHBondContact N-O 2.81Å; D1181-G1184 PolarHBondContact O-N 3.45Å; D1181-G1184 PolarHBondContact OD1-N 3.4Å; D1181-G1184 VanDerWaalsContact OD1-N 3.13Å; D1181-A1209 PolarHBondContact OD2-N 3.11Å; D1181-R1212 IonicContact OD2-CZ 3.83Å; D1181-R1212 IonicContact OD2-NH2 3.88Å; D1181-R1212 PolarHBondContact OD2-NH2 2.83Å
1182S75.4Confident87.4Confident130 Ų13057 Ų5791%0.90929%0.292SS*.THydrogen-bonded Turntrans-66.5-13.1-179.153.70000114.6
1183K71.1Confident88.4Confident161 Ų16157.7 Ų57.770%0.729%0.288SS*.THydrogen-bonded Turntrans-104.3-0.8171.6-55.6178.4-176.5175.30112.4D1181D1181-K1183 PolarHBondContact O-N 2.83Å; D1181-K1183 VanDerWaalsContact OD1-CA 3.29Å; D1181-K1183 WeakPolarHBondContact OD1-CA 3.26Å; D1181-K1183 WeakPolarHBondContact OD1-CB 3.33Å; D1181-K1183 PolarHBondContact OD1-N 2.79Å
1184G87Confident88.3Confident17 Ų1756.1 Ų56.118%0.17528%0.282CS..BIsolated β-bridgetrans109.7-142.5178.100000113.2D1181D1181-G1184 PolarHBondContact N-O 2.81Å; D1181-G1184 PolarHBondContact O-N 3.45Å; D1181-G1184 PolarHBondContact OD1-N 3.4Å; D1181-G1184 VanDerWaalsContact OD1-N 3.13Å
1185F91.9Very high87.7Confident17 Ų1759.7 Ų59.78%0.07530%0.296CS..SBendtrans-91.6-0.2174.6-64.8-69.5000113.2L1178 R1180 F1187 A1210 I1242 V1249L1178-F1185 HydrophobicContact CB-CD1 3.92Å; L1178-F1185 HydrophobicContact CD1-CB 4.35Å; L1178-F1185 WeakPolarHBondContact O-CE1 3.31Å; R1180-F1185 HydrophobicContact CB-CD1 4Å; R1180-F1185 HydrophobicContact CB-CE1 3.56Å; R1180-F1185 HydrophobicContact CB-CZ 3.86Å; R1180-F1185 HydrophobicContact CG-CD1 4.46Å; R1180-F1185 HydrophobicContact CG-CE1 4.24Å; R1180-F1185 HydrophobicContact CG-CE2 4.41Å; R1180-F1185 HydrophobicContact CG-CZ 4.22Å; F1185-F1187 HydrophobicContact CB-CD1 3.75Å; F1185-F1187 HydrophobicContact CB-CE1 3.59Å; F1185-F1187 HydrophobicContact CG-CE1 4.39Å; F1185-F1187 PolarHBondContact O-N 3.37Å; F1185-A1210 WeakPolarHBondContact O-CB 3.29Å; F1185-A1210 PolarHBondContact O-N 2.68Å; F1185-I1242 HydrophobicContact CD2-CG2 3.62Å; F1185-I1242 HydrophobicContact CE2-CG2 3.7Å; F1185-I1242 WeakPolarHBondContact CE2-O 3.37Å; F1185-V1249 HydrophobicContact CD1-CG1 3.71Å; F1185-V1249 HydrophobicContact CD2-CG1 4.08Å; F1185-V1249 HydrophobicContact CE1-CB 4.14Å; F1185-V1249 HydrophobicContact CE1-CG1 3.69Å; F1185-V1249 HydrophobicContact CE2-CB 4.24Å; F1185-V1249 HydrophobicContact CE2-CG1 4.08Å; F1185-V1249 HydrophobicContact CG-CG1 3.9Å; F1185-V1249 HydrophobicContact CZ-CB 3.93Å; F1185-V1249 HydrophobicContact CZ-CG1 3.88Å
1186G89Confident87.3Confident7 Ų764.5 Ų64.57%0.07232%0.317CS..SBendtrans72.319.6174.800000115.9A1205G1186-A1205 PolarHBondContact O-N 3.36Å
1187F92.9Very high86.9Confident32 Ų3265.7 Ų65.714%0.1432%0.323CS..EExtended strand (participates in β ladder)trans-135.1160.6172.673.8-85.7000112.2L1178 F1185 V1201 R1203 L1204 A1210 M1216 I1222 I1242 L1251L1178-F1187 HydrophobicContact CD1-CD1 3.74Å; L1178-F1187 HydrophobicContact CD1-CE1 3.76Å; F1185-F1187 HydrophobicContact CB-CD1 3.75Å; F1185-F1187 HydrophobicContact CB-CE1 3.59Å; F1185-F1187 HydrophobicContact CG-CE1 4.39Å; F1185-F1187 PolarHBondContact O-N 3.37Å; F1187-V1201 HydrophobicContact CB-CG1 4.46Å; F1187-R1203 CarbonylContact C-O 3.58Å; F1187-R1203 VanDerWaalsContact CA-O 3.3Å; F1187-R1203 WeakPolarHBondContact CA-O 3.39Å; F1187-L1204 HydrophobicContact CB-CD2 3.69Å; F1187-A1210 HydrophobicContact CB-CB 3.95Å; F1187-A1210 HydrophobicContact CD1-CB 4.29Å; F1187-M1216 HydrophobicContact CB-CE 3.69Å; F1187-M1216 HydrophobicContact CD1-CE 3.86Å; F1187-M1216 HydrophobicContact CD2-CE 3.95Å; F1187-M1216 HydrophobicContact CE1-CE 4.46Å; F1187-M1216 HydrophobicContact CG-CE 3.58Å; F1187-I1222 HydrophobicContact CE2-CD1 4.11Å; F1187-I1242 HydrophobicContact CE2-CD1 4.25Å; F1187-I1242 HydrophobicContact CZ-CD1 3.99Å; F1187-L1251 HydrophobicContact CE1-CD1 3.97Å; F1187-L1251 HydrophobicContact CE2-CD1 4.43Å; F1187-L1251 HydrophobicContact CZ-CD1 3.74Å
1188S91.3Very high86.8Confident59 Ų5965.3 Ų65.341%0.41332%0.321SS..EExtended strand (participates in β ladder)trans-116.2140.2174.4-61.90000110.7L1202 R1203S1188-L1202 PolarHBondContact O-N 2.96Å; S1188-R1203 PolarHBondContact N-O 2.84Å
1189L92.3Very high86.9Confident21 Ų2165.2 Ų65.211%0.1132%0.321CS..EExtended strand (participates in β ladder)trans-101.8146.8-178.1-17068.8000110.8L1199 I1222 A1238 I1239 I1242L1189-L1199 HydrophobicContact CD1-CB 4.11Å; L1189-L1199 HydrophobicContact CD1-CD1 4.47Å; L1189-L1199 HydrophobicContact CD1-CD2 4.33Å; L1189-L1199 HydrophobicContact CD2-CD1 4.46Å; L1189-L1199 HydrophobicContact CD2-CD2 4.2Å; L1189-L1199 HydrophobicContact CG-CD2 4.26Å; L1189-I1222 HydrophobicContact CD1-CD1 3.58Å; L1189-A1238 HydrophobicContact CD2-CB 3.69Å; L1189-I1239 HydrophobicContact CB-CD1 4.2Å; L1189-I1239 HydrophobicContact CD2-CD1 3.76Å; L1189-I1239 HydrophobicContact CD2-CG1 4.15Å; L1189-I1242 HydrophobicContact CD2-CD1 4.18Å
1190R90.5Very high87.2Confident35 Ų3561.3 Ų61.313%0.13230%0.301CS..EExtended strand (participates in β ladder)trans-138.6161.7168.7-173.5177.1-176.495.5-31.9109.7M1197 L1199 Y1200 L1202 P1261 E1262 Y1263R1190-M1197 HydrophobicContact CG-CE 4.5Å; R1190-M1197 HydrophobicContact CG-SD 4.38Å; R1190-L1199 WeakPolarHBondContact O-CA 3.48Å; R1190-Y1200 PolarHBondContact N-O 2.9Å; R1190-Y1200 PolarHBondContact O-N 3.23Å; R1190-L1202 HydrophobicContact CB-CB 3.95Å; R1190-L1202 HydrophobicContact CB-CD2 4.28Å; R1190-P1261 WeakPolarHBondContact CD-O 3.49Å; R1190-P1261 PolarHBondContact NE-O 3.44Å; R1190-E1262 IonicContact NH2-OE1 3.99Å; R1190-E1262 PolarHBondContact NH2-OE1 3.27Å; R1190-Y1263 HydrophobicContact CG-CE1 3.84Å; R1190-Y1263 HydrophobicContact CG-CE2 4.03Å; R1190-Y1263 VanDerWaalsContact NH1-CD2 3.33Å
1191G90.8Very high87.5Confident0 Ų055.3 Ų55.30%028%0.278CS..EExtended strand (participates in β ladder)trans90.1-176.5-179.700000113.4D1198 L1199 H1235 Y1263G1191-D1198 WeakPolarHBondContact CA-O 3.22Å; G1191-L1199 VanDerWaalsContact C-CD2 3.47Å; G1191-L1199 WeakPolarHBondContact O-CD2 3.4Å; G1191-H1235 VanDerWaalsContact O-CB 3.3Å; G1191-H1235 WeakPolarHBondContact O-CB 3.25Å; G1191-H1235 PolarHBondContact O-ND1 2.79Å; G1191-Y1263 PolarHBondContact N-OH 2.83Å
1192G88.4Confident87.9Confident2 Ų256.7 Ų56.72%0.02129%0.285CS..EExtended strand (participates in β ladder)trans130.8155.5-172.200000111.3E1194 Y1195 N1196 M1197 M1233G1192-E1194 PolarHBondContact O-N 3.44Å; G1192-Y1195 CarbonylContact O-C 3.49Å; G1192-Y1195 WeakPolarHBondContact O-CA 3.24Å; G1192-Y1195 WeakPolarHBondContact O-CB 3.38Å; G1192-Y1195 PolarHBondContact O-N 2.73Å; G1192-N1196 PolarHBondContact O-N 2.71Å; G1192-M1197 CarbonylContact C-O 3.49Å; G1192-M1197 VanDerWaalsContact C-O 3.27Å; G1192-M1197 WeakPolarHBondContact CA-O 3.34Å; G1192-M1197 PolarHBondContact N-O 2.86Å; G1192-M1233 CarbonylContact C-O 3.45Å; G1192-M1233 VanDerWaalsContact CA-O 3.31Å; G1192-M1233 WeakPolarHBondContact CA-O 3.37Å
1193R88.6Confident88.6Confident162 Ų16257.3 Ų57.361%0.61127%0.268SS*.G310 helixtrans-57.3-31.3-177.7165.9164.640.6174.2-17.4113.9Y1195 N1196 G1232 M1233R1193-Y1195 PolarHBondContact O-N 3.23Å; R1193-N1196 PolarHBondContact O-N 3.5Å; R1193-G1232 VanDerWaalsContact CB-O 3.24Å; R1193-G1232 WeakPolarHBondContact CB-O 3.46Å; R1193-G1232 PolarHBondContact NE-O 3.42Å; R1193-G1232 PolarHBondContact NH2-O 2.89Å; R1193-M1233 PolarHBondContact N-O 3.2Å
1194E83.6Confident89.5Confident81 Ų8151 Ų5138%0.37924%0.242SC..G310 helixtrans-68.3-7.7174.167-87.7-112.500113.9G1192 K1234 H1235G1192-E1194 PolarHBondContact O-N 3.44Å; E1194-K1234 WeakPolarHBondContact OE1-CB 3.33Å; E1194-K1234 WeakPolarHBondContact OE2-CA 3.13Å; E1194-H1235 WeakPolarHBondContact OE1-CB 3.47Å; E1194-H1235 PolarHBondContact OE1-N 2.72Å; E1194-H1235 PolarHBondContact OE2-N 2.83Å
1195Y81.3Confident89.5Confident109 Ų10952.1 Ų52.143%0.42725%0.249SC..G310 helixtrans-1196.9174.9-53.7-63.4000113.3G1192 R1193 M1197 H1235 Y1263G1192-Y1195 CarbonylContact O-C 3.49Å; G1192-Y1195 WeakPolarHBondContact O-CA 3.24Å; G1192-Y1195 WeakPolarHBondContact O-CB 3.38Å; G1192-Y1195 PolarHBondContact O-N 2.73Å; R1193-Y1195 PolarHBondContact O-N 3.23Å; Y1195-M1197 VanDerWaalsContact C-N 3.29Å; Y1195-M1197 PolarHBondContact O-N 2.76Å; Y1195-H1235 HydrophobicContact CD2-CB 4.26Å; Y1195-H1235 HydrophobicContact CE2-CB 3.73Å; Y1195-Y1263 VanDerWaalsContact CB-CE1 3.47Å; Y1195-Y1263 AromaticContact CD1-CD1 3.99Å; Y1195-Y1263 HydrophobicContact CD1-CD1 3.99Å; Y1195-Y1263 AromaticContact CD1-CE1 3.83Å; Y1195-Y1263 HydrophobicContact CD1-CE1 3.83Å; Y1195-Y1263 HydrophobicContact CD2-CD1 4.4Å; Y1195-Y1263 AromaticContact CD2-CE1 3.48Å; Y1195-Y1263 HydrophobicContact CD2-CE1 3.48Å; Y1195-Y1263 VanDerWaalsContact CD2-CE1 3.48Å; Y1195-Y1263 AromaticContact CD2-CZ 3.68Å; Y1195-Y1263 WeakPolarHBondContact CD2-OH 3.35Å; Y1195-Y1263 HydrophobicContact CE1-CE1 4.43Å; Y1195-Y1263 HydrophobicContact CE2-CE1 4.11Å; Y1195-Y1263 AromaticContact CE2-CZ 3.83Å; Y1195-Y1263 WeakPolarHBondContact CE2-OH 3.27Å; Y1195-Y1263 AromaticContact CG-CD1 3.79Å; Y1195-Y1263 HydrophobicContact CG-CD1 3.79Å; Y1195-Y1263 AromaticContact CG-CE1 3.3Å; Y1195-Y1263 HydrophobicContact CG-CE1 3.3Å; Y1195-Y1263 AromaticContact CG-CZ 3.87Å
1196N83.1Confident88.9Confident156 Ų15658.2 Ų58.283%0.83428%0.278SS*.THydrogen-bonded Turntrans48.743.1-177.4-159.369.7000114.7G1192 R1193G1192-N1196 PolarHBondContact O-N 2.71Å; R1193-N1196 PolarHBondContact O-N 3.5Å
1197M85.9Confident88.6Confident26 Ų2664.5 Ų64.513%0.12831%0.305CS..EExtended strand (participates in β ladder)trans-147.1145.3178.5138.5-179.327.300108.2R1190 G1192 Y1195 Y1200 P1261 Y1263R1190-M1197 HydrophobicContact CG-CE 4.5Å; R1190-M1197 HydrophobicContact CG-SD 4.38Å; G1192-M1197 CarbonylContact C-O 3.49Å; G1192-M1197 VanDerWaalsContact C-O 3.27Å; G1192-M1197 WeakPolarHBondContact CA-O 3.34Å; G1192-M1197 PolarHBondContact N-O 2.86Å; Y1195-M1197 VanDerWaalsContact C-N 3.29Å; Y1195-M1197 PolarHBondContact O-N 2.76Å; M1197-Y1200 HydrophobicContact CG-CD2 4.04Å; M1197-Y1200 HydrophobicContact CG-CE2 4.09Å; M1197-Y1200 HydrophobicContact SD-CD2 4.02Å; M1197-Y1200 HydrophobicContact SD-CE2 4.47Å; M1197-P1261 HydrophobicContact CE-CB 4.5Å; M1197-P1261 HydrophobicContact SD-CB 3.86Å; M1197-P1261 HydrophobicContact SD-CG 4.4Å; M1197-Y1263 HydrophobicContact CE-CD1 3.31Å; M1197-Y1263 HydrophobicContact CE-CE1 3.55Å; M1197-Y1263 HydrophobicContact CE-CG 4.36Å
1198D89.8Confident88.2Confident59 Ų5963 Ų6332%0.31630%0.299SS..EExtended strand (participates in β ladder)trans-71.9177.8172.6-66.2-72.6000112.1G1191 Y1200G1191-D1198 WeakPolarHBondContact CA-O 3.22Å; D1198-Y1200 HydrophobicContact CB-CE2 4.37Å; D1198-Y1200 WeakPolarHBondContact O-CD2 3.37Å; D1198-Y1200 WeakPolarHBondContact O-CE2 3.39Å
1199L93.9Very high88Confident1 Ų160.5 Ų60.51%0.00528%0.281CS..EExtended strand (participates in β ladder)trans-87.1127.8-169.9-68-177.4000112.9L1189 R1190 G1191 E1221 I1222 I1225 T1230 A1238L1189-L1199 HydrophobicContact CD1-CB 4.11Å; L1189-L1199 HydrophobicContact CD1-CD1 4.47Å; L1189-L1199 HydrophobicContact CD1-CD2 4.33Å; L1189-L1199 HydrophobicContact CD2-CD1 4.46Å; L1189-L1199 HydrophobicContact CD2-CD2 4.2Å; L1189-L1199 HydrophobicContact CG-CD2 4.26Å; R1190-L1199 WeakPolarHBondContact O-CA 3.48Å; G1191-L1199 VanDerWaalsContact C-CD2 3.47Å; G1191-L1199 WeakPolarHBondContact O-CD2 3.4Å; L1199-E1221 CarbonylContact O-C 3.56Å; L1199-E1221 WeakPolarHBondContact O-CA 2.87Å; L1199-I1222 HydrophobicContact CB-CB 4.3Å; L1199-I1222 PolarHBondContact O-N 2.83Å; L1199-I1225 HydrophobicContact CD1-CD1 3.99Å; L1199-T1230 HydrophobicContact CD1-CG2 3.66Å; L1199-A1238 HydrophobicContact CD1-CB 3.42Å; L1199-A1238 VanDerWaalsContact CD1-CB 3.42Å; L1199-A1238 HydrophobicContact CD2-CB 4.34Å
1200Y94.3Very high87.9Confident47 Ų4759.5 Ų59.518%0.18428%0.276CS..EExtended strand (participates in β ladder)trans-126.5149.3-178.5-68.1-87000113.6R1190 M1197 D1198 L1202 D1220 E1221 P1261R1190-Y1200 PolarHBondContact N-O 2.9Å; R1190-Y1200 PolarHBondContact O-N 3.23Å; M1197-Y1200 HydrophobicContact CG-CD2 4.04Å; M1197-Y1200 HydrophobicContact CG-CE2 4.09Å; M1197-Y1200 HydrophobicContact SD-CD2 4.02Å; M1197-Y1200 HydrophobicContact SD-CE2 4.47Å; D1198-Y1200 HydrophobicContact CB-CE2 4.37Å; D1198-Y1200 WeakPolarHBondContact O-CD2 3.37Å; D1198-Y1200 WeakPolarHBondContact O-CE2 3.39Å; Y1200-L1202 PolarHBondContact O-N 2.78Å; Y1200-D1220 WeakPolarHBondContact CA-O 3.49Å; Y1200-E1221 HydrophobicContact CD1-CB 3.96Å; Y1200-E1221 HydrophobicContact CD1-CG 4.37Å; Y1200-E1221 HydrophobicContact CE1-CB 3.59Å; Y1200-E1221 HydrophobicContact CE1-CG 3.81Å; Y1200-P1261 HydrophobicContact CD2-CG 4.3Å; Y1200-P1261 HydrophobicContact CE2-CG 4.07Å
1201V93.8Very high87.8Confident0 Ų060.8 Ų60.80%029%0.288CS..EExtended strand (participates in β ladder)trans-77.997.8172.3-178.30000109.8F1187 L1204 M1216 R1217 V1218 G1219 D1220 I1222 L1253 V1260F1187-V1201 HydrophobicContact CB-CG1 4.46Å; V1201-L1204 HydrophobicContact CG1-CD2 3.57Å; V1201-L1204 HydrophobicContact CG1-CG 4.32Å; V1201-M1216 HydrophobicContact CG1-CE 4.02Å; V1201-M1216 HydrophobicContact CG2-CE 3.81Å; V1201-R1217 WeakPolarHBondContact CB-O 3.15Å; V1201-R1217 VanDerWaalsContact CG1-O 3.29Å; V1201-R1217 WeakPolarHBondContact CG1-O 3.09Å; V1201-V1218 WeakPolarHBondContact O-CA 3.3Å; V1201-G1219 PolarHBondContact O-N 2.9Å; V1201-D1220 HydrophobicContact CG2-CB 4.17Å; V1201-D1220 WeakPolarHBondContact CG2-O 3.19Å; V1201-D1220 PolarHBondContact N-O 2.89Å; V1201-I1222 HydrophobicContact CG2-CD1 3.82Å; V1201-I1222 HydrophobicContact CG2-CG1 3.99Å; V1201-L1253 HydrophobicContact CG2-CD2 3.85Å; V1201-V1260 WeakPolarHBondContact O-CG2 3.41Å
1202L91Very high87.6Confident68 Ų6867.6 Ų67.636%0.35631%0.313SS..EExtended strand (participates in β ladder)trans-73.4-38.2-176.517459.7000113.7S1188 R1190 Y1200 V1218 V1260S1188-L1202 PolarHBondContact O-N 2.96Å; R1190-L1202 HydrophobicContact CB-CB 3.95Å; R1190-L1202 HydrophobicContact CB-CD2 4.28Å; Y1200-L1202 PolarHBondContact O-N 2.78Å; L1202-V1218 WeakPolarHBondContact O-CG1 3.21Å; L1202-V1260 HydrophobicContact CB-CG1 4.49Å; L1202-V1260 HydrophobicContact CD1-CB 4.38Å; L1202-V1260 HydrophobicContact CD1-CG1 4Å
1203R89.1Confident87.5Confident144 Ų14470.1 Ų70.154%0.54333%0.327SS..EExtended strand (participates in β ladder)trans-154.7146.2-179.9-177.1164-177.61652.1110.3F1187 S1188 E1206F1187-R1203 CarbonylContact C-O 3.58Å; F1187-R1203 VanDerWaalsContact CA-O 3.3Å; F1187-R1203 WeakPolarHBondContact CA-O 3.39Å; S1188-R1203 PolarHBondContact N-O 2.84Å; R1203-E1206 IonicContact NH2-OE1 2.75Å; R1203-E1206 PolarHBondContact NH2-OE1 2.87Å
1204L90.4Very high87.3Confident29 Ų2965.2 Ų65.215%0.15233%0.326CS..EExtended strand (participates in β ladder)trans-102.6140.5163-55.2-178000109.4F1187 V1201 A1210 V1211 M1216 V1218F1187-L1204 HydrophobicContact CB-CD2 3.69Å; V1201-L1204 HydrophobicContact CG1-CD2 3.57Å; V1201-L1204 HydrophobicContact CG1-CG 4.32Å; L1204-A1210 HydrophobicContact CD2-CB 3.81Å; L1204-V1211 HydrophobicContact CB-CG2 3.56Å; L1204-V1211 HydrophobicContact CD1-CG2 4.29Å; L1204-M1216 VanDerWaalsContact CD1-O 3.31Å; L1204-M1216 WeakPolarHBondContact CD1-O 3.41Å; L1204-M1216 HydrophobicContact CD2-CE 3.96Å; L1204-V1218 HydrophobicContact CG-CG2 4.12Å
1205A86.8Confident87.5Confident40 Ų4066.8 Ų66.833%0.33133%0.332SS..PPolyproline II helixtrans-88.8130.8178.600000110.3G1186 E1207 G1208 V1211G1186-A1205 PolarHBondContact O-N 3.36Å; A1205-E1207 PolarHBondContact O-N 3.34Å; A1205-G1208 WeakPolarHBondContact O-CA 3.49Å; A1205-G1208 PolarHBondContact O-N 3.23Å; A1205-V1211 WeakPolarHBondContact O-CG2 3.45Å
1206E80.2Confident88Confident145 Ų14562 Ų6268%0.67831%0.313SS*.THydrogen-bonded Turntrans-54.4132.9175.1-68.9144.3-122.100110.9R1203 G1208R1203-E1206 IonicContact NH2-OE1 2.75Å; R1203-E1206 PolarHBondContact NH2-OE1 2.87Å; E1206-G1208 PolarHBondContact O-N 3.05Å; E1206-G1208 VanDerWaalsContact O-N 3.1Å
1207E82.2Confident88.4Confident139 Ų13961.9 Ų61.965%0.6530%0.301SS*.THydrogen-bonded Turntrans586.7-169.3-55.8-52.4132.300116.7A1205 R1212A1205-E1207 PolarHBondContact O-N 3.34Å; E1207-R1212 WeakPolarHBondContact O-CD 3.34Å; E1207-R1212 PolarHBondContact O-NE 2.88Å
1208G85Confident88.6Confident0 Ų063.3 Ų63.30%031%0.311CS..SBendtrans-75.4157.9177.800000113.8A1205 E1206 A1210 V1211 R1212A1205-G1208 WeakPolarHBondContact O-CA 3.49Å; A1205-G1208 PolarHBondContact O-N 3.23Å; E1206-G1208 PolarHBondContact O-N 3.05Å; E1206-G1208 VanDerWaalsContact O-N 3.1Å; G1208-A1210 VanDerWaalsContact C-N 3.31Å; G1208-A1210 PolarHBondContact O-N 2.87Å; G1208-V1211 PolarHBondContact O-N 3.27Å; G1208-R1212 PolarHBondContact O-N 3.34Å
1209A87.6Confident88.6Confident6 Ų660.6 Ų60.65%0.0530%0.297CS..Hα-helixtrans-51.5-41.4-176.600000115E1179 D1181 R1212 N1213E1179-A1209 WeakPolarHBondContact O-CB 3.26Å; D1181-A1209 PolarHBondContact OD2-N 3.11Å; A1209-R1212 VanDerWaalsContact CA-NH2 3.32Å; A1209-R1212 PolarHBondContact O-N 3.06Å; A1209-N1213 PolarHBondContact O-N 2.94Å
1210A90.3Very high88.6Confident0 Ų060.6 Ų60.60%030%0.297CS..Hα-helixtrans-62.4-40.117600000113.9L1178 F1185 F1187 L1204 G1208 N1213 G1214 M1216L1178-A1210 HydrophobicContact CD1-CB 3.85Å; L1178-A1210 HydrophobicContact CD2-CB 4.43Å; F1185-A1210 WeakPolarHBondContact O-CB 3.29Å; F1185-A1210 PolarHBondContact O-N 2.68Å; F1187-A1210 HydrophobicContact CB-CB 3.95Å; F1187-A1210 HydrophobicContact CD1-CB 4.29Å; L1204-A1210 HydrophobicContact CD2-CB 3.81Å; G1208-A1210 VanDerWaalsContact C-N 3.31Å; G1208-A1210 PolarHBondContact O-N 2.87Å; A1210-N1213 PolarHBondContact O-N 3.44Å; A1210-G1214 PolarHBondContact O-N 2.89Å; A1210-M1216 HydrophobicContact CB-CE 3.99Å
1211V87.3Confident88.5Confident62 Ų6259.7 Ų59.738%0.37630%0.295SS..Hα-helixtrans-67.5-44.1174.7179.40000110.4L1204 A1205 G1208 N1213 G1214L1204-V1211 HydrophobicContact CB-CG2 3.56Å; L1204-V1211 HydrophobicContact CD1-CG2 4.29Å; A1205-V1211 WeakPolarHBondContact O-CG2 3.45Å; G1208-V1211 PolarHBondContact O-N 3.27Å; V1211-N1213 PolarHBondContact O-N 2.99Å; V1211-G1214 WeakPolarHBondContact O-CA 3.48Å; V1211-G1214 PolarHBondContact O-N 3.18Å
1212R87Confident88.6Confident143 Ų14359.7 Ų59.754%0.5430%0.295SS..Hα-helixtrans-66.5-19.7179.7-67.5-176.2-70.998-4.6113.7D1181 E1207 G1208 A1209D1181-R1212 IonicContact OD2-CZ 3.83Å; D1181-R1212 IonicContact OD2-NH2 3.88Å; D1181-R1212 PolarHBondContact OD2-NH2 2.83Å; E1207-R1212 WeakPolarHBondContact O-CD 3.34Å; E1207-R1212 PolarHBondContact O-NE 2.88Å; G1208-R1212 PolarHBondContact O-N 3.34Å; A1209-R1212 VanDerWaalsContact CA-NH2 3.32Å; A1209-R1212 PolarHBondContact O-N 3.06Å
1213N86.3Confident88.8Confident56 Ų5658.5 Ų58.530%0.29929%0.288SS..Hα-helixtrans-76.4-29.5169.7-176.3-75.6000112.4V1176 D1177 L1178 A1209 A1210 V1211 K1215V1176-N1213 WeakPolarHBondContact CG1-OD1 3.31Å; D1177-N1213 PolarHBondContact O-ND2 2.74Å; L1178-N1213 HydrophobicContact CD2-CB 3.59Å; A1209-N1213 PolarHBondContact O-N 2.94Å; A1210-N1213 PolarHBondContact O-N 3.44Å; V1211-N1213 PolarHBondContact O-N 2.99Å; N1213-K1215 PolarHBondContact O-N 3.12Å; N1213-K1215 WeakPolarHBondContact OD1-CB 3.32Å; N1213-K1215 WeakPolarHBondContact OD1-CG 3.28Å; N1213-K1215 PolarHBondContact OD1-N 3.13Å
1214G85.2Confident89.1Confident59 Ų5955.2 Ų55.261%0.60828%0.279SS*.  trans74.4-14.8173.100000116.7A1210 V1211A1210-G1214 PolarHBondContact O-N 2.89Å; V1211-G1214 WeakPolarHBondContact O-CA 3.48Å; V1211-G1214 PolarHBondContact O-N 3.18Å
1215K87Confident89.3Confident114 Ų11453.9 Ų53.950%0.49627%0.272SS..SBendtrans-81.3-34.3179.3-61.6-175.5176.2-1710114.2Y1174 V1176 N1213 R1255Y1174-K1215 HydrophobicContact CD2-CB 4.34Å; Y1174-K1215 HydrophobicContact CE2-CB 3.83Å; Y1174-K1215 PolarHBondContact OH-O 3.32Å; V1176-K1215 HydrophobicContact CG2-CB 4.04Å; V1176-K1215 HydrophobicContact CG2-CD 4.33Å; N1213-K1215 PolarHBondContact O-N 3.12Å; N1213-K1215 WeakPolarHBondContact OD1-CB 3.32Å; N1213-K1215 WeakPolarHBondContact OD1-CG 3.28Å; N1213-K1215 PolarHBondContact OD1-N 3.13Å; K1215-R1255 PolarHBondContact O-NH1 3.15Å; K1215-R1255 VanDerWaalsContact O-NH1 3.17Å; K1215-R1255 PolarHBondContact O-NH2 2.77Å
1216M92.6Very high89.6Confident7 Ų755.2 Ų55.23%0.03427%0.274CS..  trans-80.6144.7-177.1-114.5168.474.300111.7Y1174 V1176 L1178 F1187 V1201 L1204 A1210 L1251 L1253Y1174-M1216 WeakPolarHBondContact OH-CA 3.49Å; V1176-M1216 HydrophobicContact CG1-SD 4.32Å; V1176-M1216 HydrophobicContact CG2-CG 4.29Å; L1178-M1216 HydrophobicContact CD1-CE 4.37Å; L1178-M1216 HydrophobicContact CD1-SD 4.05Å; F1187-M1216 HydrophobicContact CB-CE 3.69Å; F1187-M1216 HydrophobicContact CD1-CE 3.86Å; F1187-M1216 HydrophobicContact CD2-CE 3.95Å; F1187-M1216 HydrophobicContact CE1-CE 4.46Å; F1187-M1216 HydrophobicContact CG-CE 3.58Å; V1201-M1216 HydrophobicContact CG1-CE 4.02Å; V1201-M1216 HydrophobicContact CG2-CE 3.81Å; L1204-M1216 VanDerWaalsContact CD1-O 3.31Å; L1204-M1216 WeakPolarHBondContact CD1-O 3.41Å; L1204-M1216 HydrophobicContact CD2-CE 3.96Å; A1210-M1216 HydrophobicContact CB-CE 3.99Å; M1216-L1251 HydrophobicContact CE-CD1 4.44Å; M1216-L1251 HydrophobicContact SD-CD1 3.86Å; M1216-L1253 HydrophobicContact CG-CD1 4.15Å; M1216-L1253 HydrophobicContact CG-CD2 3.7Å; M1216-L1253 HydrophobicContact SD-CD1 4.2Å; M1216-L1253 HydrophobicContact SD-CD2 4.04Å
1217R90.2Very high90Very high155 Ų15550.9 Ų50.959%0.58527%0.268SS*.  trans-131.8161.8178.2-63.2-177.2-177.8-171.21.6110.3V1201 D1220V1201-R1217 WeakPolarHBondContact CB-O 3.15Å; V1201-R1217 VanDerWaalsContact CG1-O 3.29Å; V1201-R1217 WeakPolarHBondContact CG1-O 3.09Å; R1217-D1220 PolarHBondContact N-OD2 2.91Å
1218V91.1Very high90.4Very high55 Ų5548.1 Ų48.133%0.33326%0.256SS..THydrogen-bonded Turntrans-66.9139.4165.7176.90000108.3V1201 L1202 L1204 V1260V1201-V1218 WeakPolarHBondContact O-CA 3.3Å; L1202-V1218 WeakPolarHBondContact O-CG1 3.21Å; L1204-V1218 HydrophobicContact CG-CG2 4.12Å; V1218-V1260 HydrophobicContact CG1-CG2 3.66Å
1219G88.3Confident90.8Very high2 Ų251.8 Ų51.82%0.02128%0.281CS..THydrogen-bonded Turntrans89.1-10.5-176.600000115.9V1201 E1221 G1256 S1259V1201-G1219 PolarHBondContact O-N 2.9Å; G1219-E1221 PolarHBondContact O-N 2.7Å; G1219-G1256 WeakPolarHBondContact O-CA 3.42Å; G1219-S1259 WeakPolarHBondContact CA-O 3.49Å
1220D94.2Very high91Very high1 Ų151.6 Ų51.61%0.00528%0.279CS..  trans-63.7137.3173.9-69-29.8000111.2Y1174 Y1200 V1201 R1217 L1253 R1255 G1256Y1174-D1220 PolarHBondContact OH-OD2 2.87Å; Y1200-D1220 WeakPolarHBondContact CA-O 3.49Å; V1201-D1220 HydrophobicContact CG2-CB 4.17Å; V1201-D1220 WeakPolarHBondContact CG2-O 3.19Å; V1201-D1220 PolarHBondContact N-O 2.89Å; R1217-D1220 PolarHBondContact N-OD2 2.91Å; D1220-L1253 HydrophobicContact CB-CB 4.47Å; D1220-L1253 HydrophobicContact CB-CD2 3.66Å; D1220-R1255 WeakPolarHBondContact OD1-CA 3.5Å; D1220-R1255 WeakPolarHBondContact OD1-CD 3.5Å; D1220-R1255 IonicContact OD1-CZ 3.34Å; D1220-R1255 IonicContact OD1-NE 2.91Å; D1220-R1255 IonicContact OD1-NH1 3.03Å; D1220-R1255 PolarHBondContact OD1-NH1 2.96Å; D1220-R1255 IonicContact OD2-CZ 2.87Å; D1220-R1255 IonicContact OD2-NH1 3.97Å; D1220-R1255 PolarHBondContact OD2-NH1 3.27Å; D1220-G1256 PolarHBondContact OD1-N 2.92Å
1221E93.9Very high91Very high28 Ų2860.1 Ų60.113%0.13132%0.316CS..EExtended strand (participates in β ladder)trans-87.2129.6176.3-170.9-172172.400108.9L1199 Y1200 G1219 L1223 L1253 K1254L1199-E1221 CarbonylContact O-C 3.56Å; L1199-E1221 WeakPolarHBondContact O-CA 2.87Å; Y1200-E1221 HydrophobicContact CD1-CB 3.96Å; Y1200-E1221 HydrophobicContact CD1-CG 4.37Å; Y1200-E1221 HydrophobicContact CE1-CB 3.59Å; Y1200-E1221 HydrophobicContact CE1-CG 3.81Å; G1219-E1221 PolarHBondContact O-N 2.7Å; E1221-L1223 HydrophobicContact CG-CD2 4.01Å; E1221-L1223 WeakPolarHBondContact OE1-CD2 3.32Å; E1221-L1253 CarbonylContact O-C 3.58Å; E1221-L1253 WeakPolarHBondContact O-CA 3.39Å; E1221-L1253 WeakPolarHBondContact O-CB 3.48Å; E1221-K1254 HydrophobicContact CB-CB 4.14Å; E1221-K1254 PolarHBondContact N-O 2.9Å; E1221-K1254 VanDerWaalsContact N-O 3.16Å; E1221-K1254 PolarHBondContact O-N 3.35Å; E1221-K1254 VanDerWaalsContact OE2-CD 3.27Å; E1221-K1254 WeakPolarHBondContact OE2-CD 3.11Å; E1221-K1254 IonicContact OE2-NZ 3.91Å
1222I95.1Very high90.8Very high0 Ų058.2 Ų58.20%031%0.309CS..EExtended strand (participates in β ladder)trans-96.3113.1177.7-61.1163000108.1F1187 L1189 L1199 V1201 I1225 T1230 L1251 L1253F1187-I1222 HydrophobicContact CE2-CD1 4.11Å; L1189-I1222 HydrophobicContact CD1-CD1 3.58Å; L1199-I1222 HydrophobicContact CB-CB 4.3Å; L1199-I1222 PolarHBondContact O-N 2.83Å; V1201-I1222 HydrophobicContact CG2-CD1 3.82Å; V1201-I1222 HydrophobicContact CG2-CG1 3.99Å; I1222-I1225 HydrophobicContact CG2-CD1 4.4Å; I1222-I1225 HydrophobicContact CG2-CG1 3.78Å; I1222-T1230 HydrophobicContact CG2-CG2 4.17Å; I1222-T1230 WeakPolarHBondContact O-CB 3.2Å; I1222-T1230 WeakPolarHBondContact O-CG2 3.34Å; I1222-T1230 PolarHBondContact O-OG1 2.79Å; I1222-L1251 HydrophobicContact CG2-CD2 4.08Å; I1222-L1253 HydrophobicContact CG1-CD2 3.62Å; I1222-L1253 HydrophobicContact CG1-CG 4.01Å
1223L94.4Very high91Very high43 Ų4352.2 Ų52.223%0.22529%0.288CS..EExtended strand (participates in β ladder)trans-94.5-25.9-176.5-62.4-179.8000113.6F1173 E1221 S1229 T1230 V1252 K1254F1173-L1223 HydrophobicContact CD1-CD1 3.4Å; F1173-L1223 VanDerWaalsContact CD1-CD1 3.4Å; F1173-L1223 HydrophobicContact CE1-CD1 3.4Å; F1173-L1223 HydrophobicContact CG-CD1 4.36Å; F1173-L1223 HydrophobicContact CZ-CD1 4.34Å; E1221-L1223 HydrophobicContact CG-CD2 4.01Å; E1221-L1223 WeakPolarHBondContact OE1-CD2 3.32Å; L1223-S1229 WeakPolarHBondContact O-CA 3.4Å; L1223-S1229 PolarHBondContact O-OG 3.4Å; L1223-T1230 WeakPolarHBondContact CA-OG1 3.05Å; L1223-T1230 PolarHBondContact O-N 3.04Å; L1223-T1230 PolarHBondContact O-OG1 3.27Å; L1223-V1252 PolarHBondContact N-O 3.02Å; L1223-K1254 HydrophobicContact CD1-CB 4.12Å; L1223-K1254 HydrophobicContact CG-CB 4.5Å
1224E95.6Very high91.2Very high76 Ų7655.3 Ų55.336%0.35530%0.298SS..EExtended strand (participates in β ladder)trans-143.3146.2174.6-53.8-172.4169.800111.7E1228 L1251 V1252E1224-E1228 WeakPolarHBondContact CA-O 3.41Å; E1224-L1251 WeakPolarHBondContact O-CA 3.39Å; E1224-V1252 HydrophobicContact CB-CB 3.89Å; E1224-V1252 HydrophobicContact CB-CG2 3.96Å; E1224-V1252 HydrophobicContact CG-CB 4.1Å; E1224-V1252 HydrophobicContact CG-CG2 4.23Å; E1224-V1252 PolarHBondContact N-O 2.67Å; E1224-V1252 PolarHBondContact O-N 3.47Å; E1224-V1252 VanDerWaalsContact O-N 3.12Å
1225I95.9Very high91.6Very high0 Ų054.4 Ų54.40%028%0.278CS..EExtended strand (participates in β ladder)trans-125.9113.5172.8-59.4168.8000108L1199 I1222 G1227 E1228 T1230 A1238 L1241 I1242 V1249 L1251L1199-I1225 HydrophobicContact CD1-CD1 3.99Å; I1222-I1225 HydrophobicContact CG2-CD1 4.4Å; I1222-I1225 HydrophobicContact CG2-CG1 3.78Å; I1225-G1227 PolarHBondContact O-N 3.17Å; I1225-G1227 VanDerWaalsContact O-N 3.11Å; I1225-E1228 PolarHBondContact N-O 2.82Å; I1225-E1228 PolarHBondContact O-N 3.41Å; I1225-T1230 HydrophobicContact CD1-CG2 3.87Å; I1225-T1230 HydrophobicContact CG1-CG2 3.75Å; I1225-A1238 HydrophobicContact CD1-CB 3.73Å; I1225-L1241 HydrophobicContact CB-CB 4.33Å; I1225-L1241 HydrophobicContact CB-CD1 4.37Å; I1225-L1241 HydrophobicContact CG2-CB 3.64Å; I1225-I1242 HydrophobicContact CD1-CD1 4.19Å; I1225-I1242 HydrophobicContact CD1-CG1 4.22Å; I1225-I1242 HydrophobicContact CG2-CG1 3.8Å; I1225-V1249 HydrophobicContact CG2-CG2 4.08Å; I1225-L1251 HydrophobicContact CB-CD2 4.34Å; I1225-L1251 HydrophobicContact CG1-CD2 3.88Å; I1225-L1251 HydrophobicContact CG2-CD2 4.21Å
1226N92.8Very high91.8Very high68 Ų6851.7 Ų51.736%0.36428%0.277SS..THydrogen-bonded Turntrans52.826.3-176.8-58.5-39.4000114.3L1241 V1249 H1250N1226-L1241 PolarHBondContact ND2-O 3.08Å; N1226-V1249 WeakPolarHBondContact OD1-CA 3.42Å; N1226-H1250 PolarHBondContact N-O 3.2Å; N1226-H1250 PolarHBondContact OD1-N 3.35Å
1227G88Confident91.9Very high55 Ų5555.6 Ų55.657%0.56729%0.292SS*.THydrogen-bonded Turntrans88.30.1-176.900000115.7I1225I1225-G1227 PolarHBondContact O-N 3.17Å; I1225-G1227 VanDerWaalsContact O-N 3.11Å
1228E91.1Very high92Very high81 Ų8148.2 Ų48.238%0.37926%0.264SS..EExtended strand (participates in β ladder)trans-87.5121.5162.8-81.4-176.2-138.900109.1E1224 I1225 M1233 R1237 L1241E1224-E1228 WeakPolarHBondContact CA-O 3.41Å; I1225-E1228 PolarHBondContact N-O 2.82Å; I1225-E1228 PolarHBondContact O-N 3.41Å; E1228-M1233 HydrophobicContact CB-CE 4.05Å; E1228-R1237 VanDerWaalsContact CD-NH2 3.32Å; E1228-R1237 IonicContact OE1-NH2 3.05Å; E1228-R1237 PolarHBondContact OE1-NH2 2.76Å; E1228-R1237 IonicContact OE2-CZ 3.55Å; E1228-R1237 IonicContact OE2-NE 3.68Å; E1228-R1237 PolarHBondContact OE2-NE 2.98Å; E1228-R1237 IonicContact OE2-NH2 3.24Å; E1228-R1237 PolarHBondContact OE2-NH2 3.12Å; E1228-L1241 HydrophobicContact CB-CD1 3.78Å; E1228-L1241 VanDerWaalsContact CD-CD2 3.5Å; E1228-L1241 HydrophobicContact CG-CD1 4.38Å; E1228-L1241 HydrophobicContact CG-CD2 4.43Å; E1228-L1241 WeakPolarHBondContact OE1-CD2 3.18Å; E1228-L1241 WeakPolarHBondContact OE2-CD1 3.47Å
1229S92.2Very high92.1Very high76 Ų7647.9 Ų47.953%0.53126%0.26SS..EExtended strand (participates in β ladder)trans-66.9136.6177.4-177.90000111.8L1223 M1233L1223-S1229 WeakPolarHBondContact O-CA 3.4Å; L1223-S1229 PolarHBondContact O-OG 3.4Å; S1229-M1233 VanDerWaalsContact O-CE 3.29Å; S1229-M1233 WeakPolarHBondContact O-CE 3.45Å
1230T93.1Very high92.2Very high3 Ų352.1 Ų52.12%0.01828%0.279CS..  trans-87.3-6.9-173.961.80000114.3L1199 I1222 L1223 I1225 G1232 M1233L1199-T1230 HydrophobicContact CD1-CG2 3.66Å; I1222-T1230 HydrophobicContact CG2-CG2 4.17Å; I1222-T1230 WeakPolarHBondContact O-CB 3.2Å; I1222-T1230 WeakPolarHBondContact O-CG2 3.34Å; I1222-T1230 PolarHBondContact O-OG1 2.79Å; L1223-T1230 WeakPolarHBondContact CA-OG1 3.05Å; L1223-T1230 PolarHBondContact O-N 3.04Å; L1223-T1230 PolarHBondContact O-OG1 3.27Å; I1225-T1230 HydrophobicContact CD1-CG2 3.87Å; I1225-T1230 HydrophobicContact CG1-CG2 3.75Å; T1230-G1232 PolarHBondContact O-N 2.88Å; T1230-M1233 WeakPolarHBondContact O-CB 2.97Å; T1230-M1233 PolarHBondContact O-N 3.3Å
1231K89.1Confident92.1Very high179 Ų17952.7 Ų52.778%0.77828%0.282SS*.THydrogen-bonded Turntrans-60.1113.5-174.1-172.5169.2-175.5171.60110.8M1233K1231-M1233 PolarHBondContact O-N 3.14Å
1232G83.8Confident92Very high22 Ų2252.1 Ų52.123%0.22728%0.279CS..THydrogen-bonded Turntrans63.518.2-171.900000114.9R1193 T1230R1193-G1232 VanDerWaalsContact CB-O 3.24Å; R1193-G1232 WeakPolarHBondContact CB-O 3.46Å; R1193-G1232 PolarHBondContact NE-O 3.42Å; R1193-G1232 PolarHBondContact NH2-O 2.89Å; T1230-G1232 PolarHBondContact O-N 2.88Å
1233M91.2Very high91.5Very high17 Ų1758.3 Ų58.38%0.08431%0.306CS..  trans-65.5147.1171.8-172.2179.7-75.800110.1G1192 R1193 E1228 S1229 T1230 K1231 R1237 A1238 L1241G1192-M1233 CarbonylContact C-O 3.45Å; G1192-M1233 VanDerWaalsContact CA-O 3.31Å; G1192-M1233 WeakPolarHBondContact CA-O 3.37Å; R1193-M1233 PolarHBondContact N-O 3.2Å; E1228-M1233 HydrophobicContact CB-CE 4.05Å; S1229-M1233 VanDerWaalsContact O-CE 3.29Å; S1229-M1233 WeakPolarHBondContact O-CE 3.45Å; T1230-M1233 WeakPolarHBondContact O-CB 2.97Å; T1230-M1233 PolarHBondContact O-N 3.3Å; K1231-M1233 PolarHBondContact O-N 3.14Å; M1233-R1237 HydrophobicContact CG-CB 3.96Å; M1233-R1237 HydrophobicContact CG-CG 3.81Å; M1233-R1237 HydrophobicContact SD-CB 4.49Å; M1233-R1237 HydrophobicContact SD-CG 4.04Å; M1233-A1238 HydrophobicContact CG-CB 4.47Å; M1233-A1238 VanDerWaalsContact SD-CA 3.55Å; M1233-A1238 HydrophobicContact SD-CB 3.75Å; M1233-L1241 HydrophobicContact CE-CD1 3.35Å; M1233-L1241 HydrophobicContact SD-CD1 3.66Å
1234K91.5Very high91Very high121 Ų12162.1 Ų62.153%0.52633%0.327SS..  trans-74.6141.7170.7-75.3-171.5177.8-176.70110.6E1194 A1236 R1237 A1238E1194-K1234 WeakPolarHBondContact OE1-CB 3.33Å; E1194-K1234 WeakPolarHBondContact OE2-CA 3.13Å; K1234-A1236 PolarHBondContact O-N 3.22Å; K1234-R1237 HydrophobicContact CB-CB 4.34Å; K1234-R1237 WeakPolarHBondContact O-CA 2.99Å; K1234-R1237 WeakPolarHBondContact O-CB 3.35Å; K1234-R1237 PolarHBondContact O-N 3.22Å; K1234-A1238 PolarHBondContact O-N 2.95Å
1235H92.5Very high90Very high39 Ų3960 Ų6018%0.18133%0.325CS..Hα-helixtrans-51.6-45.5176.8-171.286.5000111.8G1191 E1194 Y1195 R1237 A1238 I1239G1191-H1235 VanDerWaalsContact O-CB 3.3Å; G1191-H1235 WeakPolarHBondContact O-CB 3.25Å; G1191-H1235 PolarHBondContact O-ND1 2.79Å; E1194-H1235 WeakPolarHBondContact OE1-CB 3.47Å; E1194-H1235 PolarHBondContact OE1-N 2.72Å; E1194-H1235 PolarHBondContact OE2-N 2.83Å; Y1195-H1235 HydrophobicContact CD2-CB 4.26Å; Y1195-H1235 HydrophobicContact CE2-CB 3.73Å; H1235-R1237 VanDerWaalsContact C-N 3.3Å; H1235-R1237 PolarHBondContact O-N 3.15Å; H1235-A1238 PolarHBondContact O-N 3.06Å; H1235-I1239 WeakPolarHBondContact O-CG1 3.22Å; H1235-I1239 PolarHBondContact O-N 3.09Å
1236A92.1Very high89.3Confident58 Ų5861.4 Ų61.448%0.47934%0.34SS..Hα-helixtrans-57.7-41.7176.600000112.5K1234 I1239 E1240K1234-A1236 PolarHBondContact O-N 3.22Å; A1236-I1239 PolarHBondContact O-N 3.03Å; A1236-E1240 WeakPolarHBondContact O-CG 3.49Å; A1236-E1240 PolarHBondContact O-N 2.99Å
1237R93Very high89Confident89 Ų8968.2 Ų68.234%0.33636%0.361SS..Hα-helixtrans-68.8-39.3178.6175.957.6-177.5-176.9-0.6112.2E1228 M1233 K1234 H1235 I1239 E1240 L1241E1228-R1237 VanDerWaalsContact CD-NH2 3.32Å; E1228-R1237 IonicContact OE1-NH2 3.05Å; E1228-R1237 PolarHBondContact OE1-NH2 2.76Å; E1228-R1237 IonicContact OE2-CZ 3.55Å; E1228-R1237 IonicContact OE2-NE 3.68Å; E1228-R1237 PolarHBondContact OE2-NE 2.98Å; E1228-R1237 IonicContact OE2-NH2 3.24Å; E1228-R1237 PolarHBondContact OE2-NH2 3.12Å; M1233-R1237 HydrophobicContact CG-CB 3.96Å; M1233-R1237 HydrophobicContact CG-CG 3.81Å; M1233-R1237 HydrophobicContact SD-CB 4.49Å; M1233-R1237 HydrophobicContact SD-CG 4.04Å; K1234-R1237 HydrophobicContact CB-CB 4.34Å; K1234-R1237 WeakPolarHBondContact O-CA 2.99Å; K1234-R1237 WeakPolarHBondContact O-CB 3.35Å; K1234-R1237 PolarHBondContact O-N 3.22Å; H1235-R1237 VanDerWaalsContact C-N 3.3Å; H1235-R1237 PolarHBondContact O-N 3.15Å; R1237-I1239 VanDerWaalsContact C-N 3.3Å; R1237-I1239 PolarHBondContact O-N 2.86Å; R1237-E1240 VanDerWaalsContact CD-OE2 3.28Å; R1237-E1240 WeakPolarHBondContact CD-OE2 3.22Å; R1237-E1240 IonicContact CZ-OE2 2.73Å; R1237-E1240 IonicContact NH1-OE2 3.55Å; R1237-E1240 PolarHBondContact NH1-OE2 3.31Å; R1237-E1240 WeakPolarHBondContact O-CB 3.47Å; R1237-E1240 PolarHBondContact O-N 3.33Å; R1237-L1241 WeakPolarHBondContact O-CG 3.41Å; R1237-L1241 PolarHBondContact O-N 2.87Å
1238A92.9Very high89Confident0 Ų071.5 Ų71.50%036%0.356CS..Hα-helixtrans-60.6-42.6173.800000111.7L1189 L1199 I1225 M1233 K1234 H1235 L1241 I1242L1189-A1238 HydrophobicContact CD2-CB 3.69Å; L1199-A1238 HydrophobicContact CD1-CB 3.42Å; L1199-A1238 VanDerWaalsContact CD1-CB 3.42Å; L1199-A1238 HydrophobicContact CD2-CB 4.34Å; I1225-A1238 HydrophobicContact CD1-CB 3.73Å; M1233-A1238 HydrophobicContact CG-CB 4.47Å; M1233-A1238 VanDerWaalsContact SD-CA 3.55Å; M1233-A1238 HydrophobicContact SD-CB 3.75Å; K1234-A1238 PolarHBondContact O-N 2.95Å; H1235-A1238 PolarHBondContact O-N 3.06Å; A1238-L1241 PolarHBondContact O-N 3.44Å; A1238-I1242 WeakPolarHBondContact O-CG1 3.29Å; A1238-I1242 PolarHBondContact O-N 3.25Å; A1238-I1242 VanDerWaalsContact O-N 3.09Å
1239I93Very high89.2Confident48 Ų4867.6 Ų67.625%0.24634%0.338CS..Hα-helixtrans-66.7-34.2175.4-65.4-64.6000112.1L1189 H1235 A1236 R1237 K1243L1189-I1239 HydrophobicContact CB-CD1 4.2Å; L1189-I1239 HydrophobicContact CD2-CD1 3.76Å; L1189-I1239 HydrophobicContact CD2-CG1 4.15Å; H1235-I1239 WeakPolarHBondContact O-CG1 3.22Å; H1235-I1239 PolarHBondContact O-N 3.09Å; A1236-I1239 PolarHBondContact O-N 3.03Å; R1237-I1239 VanDerWaalsContact C-N 3.3Å; R1237-I1239 PolarHBondContact O-N 2.86Å; I1239-K1243 HydrophobicContact CG2-CD 3.99Å; I1239-K1243 VanDerWaalsContact CG2-CE 3.42Å; I1239-K1243 VanDerWaalsContact CG2-NZ 3.34Å; I1239-K1243 WeakPolarHBondContact O-CB 3.42Å; I1239-K1243 WeakPolarHBondContact O-CD 3.47Å; I1239-K1243 WeakPolarHBondContact O-CG 3.28Å; I1239-K1243 PolarHBondContact O-N 3.2Å; I1239-K1243 VanDerWaalsContact O-N 3.13Å
1240E91.1Very high89.2Confident90 Ų9067 Ų6742%0.42133%0.326SS..Hα-helixtrans-60-49.4169.3-73.4172.2-173.900111.6A1236 R1237 I1242 K1243 N1244A1236-E1240 WeakPolarHBondContact O-CG 3.49Å; A1236-E1240 PolarHBondContact O-N 2.99Å; R1237-E1240 VanDerWaalsContact CD-OE2 3.28Å; R1237-E1240 WeakPolarHBondContact CD-OE2 3.22Å; R1237-E1240 IonicContact CZ-OE2 2.73Å; R1237-E1240 IonicContact NH1-OE2 3.55Å; R1237-E1240 PolarHBondContact NH1-OE2 3.31Å; R1237-E1240 WeakPolarHBondContact O-CB 3.47Å; R1237-E1240 PolarHBondContact O-N 3.33Å; E1240-I1242 PolarHBondContact O-N 3.21Å; E1240-K1243 CarbonylContact O-C 3.57Å; E1240-K1243 WeakPolarHBondContact O-CB 3.41Å; E1240-K1243 PolarHBondContact O-N 2.73Å; E1240-K1243 VanDerWaalsContact O-N 3.1Å; E1240-N1244 VanDerWaalsContact O-CB 3.28Å; E1240-N1244 WeakPolarHBondContact O-CB 3.39Å; E1240-N1244 PolarHBondContact O-N 2.93Å; E1240-N1244 PolarHBondContact O-ND2 2.91Å; E1240-N1244 PolarHBondContact O-OD1 2.79Å
1241L91.5Very high89.3Confident13 Ų1366.9 Ų66.97%0.06833%0.326CS..Hα-helixtrans-62.5-43.2-177.3-69.1171.6000112.8I1225 N1226 E1228 M1233 R1237 A1238 K1243 N1244 G1245I1225-L1241 HydrophobicContact CB-CB 4.33Å; I1225-L1241 HydrophobicContact CB-CD1 4.37Å; I1225-L1241 HydrophobicContact CG2-CB 3.64Å; N1226-L1241 PolarHBondContact ND2-O 3.08Å; E1228-L1241 HydrophobicContact CB-CD1 3.78Å; E1228-L1241 VanDerWaalsContact CD-CD2 3.5Å; E1228-L1241 HydrophobicContact CG-CD1 4.38Å; E1228-L1241 HydrophobicContact CG-CD2 4.43Å; E1228-L1241 WeakPolarHBondContact OE1-CD2 3.18Å; E1228-L1241 WeakPolarHBondContact OE2-CD1 3.47Å; M1233-L1241 HydrophobicContact CE-CD1 3.35Å; M1233-L1241 HydrophobicContact SD-CD1 3.66Å; R1237-L1241 WeakPolarHBondContact O-CG 3.41Å; R1237-L1241 PolarHBondContact O-N 2.87Å; A1238-L1241 PolarHBondContact O-N 3.44Å; L1241-K1243 VanDerWaalsContact C-N 3.28Å; L1241-K1243 PolarHBondContact O-N 3.06Å; L1241-N1244 PolarHBondContact O-N 2.81Å; L1241-G1245 PolarHBondContact O-N 2.8Å
1242I91.2Very high89.6Confident16 Ų1659.8 Ų59.88%0.08230%0.297CS..Hα-helixtrans-61.9-37.8174.7-63.8165.4000110.5F1185 F1187 L1189 I1225 A1238 E1240 V1249F1185-I1242 HydrophobicContact CD2-CG2 3.62Å; F1185-I1242 HydrophobicContact CE2-CG2 3.7Å; F1185-I1242 WeakPolarHBondContact CE2-O 3.37Å; F1187-I1242 HydrophobicContact CE2-CD1 4.25Å; F1187-I1242 HydrophobicContact CZ-CD1 3.99Å; L1189-I1242 HydrophobicContact CD2-CD1 4.18Å; I1225-I1242 HydrophobicContact CD1-CD1 4.19Å; I1225-I1242 HydrophobicContact CD1-CG1 4.22Å; I1225-I1242 HydrophobicContact CG2-CG1 3.8Å; A1238-I1242 WeakPolarHBondContact O-CG1 3.29Å; A1238-I1242 PolarHBondContact O-N 3.25Å; A1238-I1242 VanDerWaalsContact O-N 3.09Å; E1240-I1242 PolarHBondContact O-N 3.21Å; I1242-V1249 HydrophobicContact CG1-CG2 4.34Å
1243K85.8Confident90.1Very high131 Ų13158.7 Ų58.757%0.5729%0.286SS*.Hα-helixtrans-72.3-40.2176.6-74.2168.5-178.5170.80112.6I1239 E1240 L1241 G1246I1239-K1243 HydrophobicContact CG2-CD 3.99Å; I1239-K1243 VanDerWaalsContact CG2-CE 3.42Å; I1239-K1243 VanDerWaalsContact CG2-NZ 3.34Å; I1239-K1243 WeakPolarHBondContact O-CB 3.42Å; I1239-K1243 WeakPolarHBondContact O-CD 3.47Å; I1239-K1243 WeakPolarHBondContact O-CG 3.28Å; I1239-K1243 PolarHBondContact O-N 3.2Å; I1239-K1243 VanDerWaalsContact O-N 3.13Å; E1240-K1243 CarbonylContact O-C 3.57Å; E1240-K1243 WeakPolarHBondContact O-CB 3.41Å; E1240-K1243 PolarHBondContact O-N 2.73Å; E1240-K1243 VanDerWaalsContact O-N 3.1Å; L1241-K1243 VanDerWaalsContact C-N 3.28Å; L1241-K1243 PolarHBondContact O-N 3.06Å; K1243-G1246 PolarHBondContact O-N 3.4Å
1244N83.4Confident90.2Very high123 Ų12361.3 Ų61.366%0.65830%0.297SS*.Hα-helixtrans-75.8-23.2-174.3-68.3-11.6000112.9E1240 L1241 G1246E1240-N1244 VanDerWaalsContact O-CB 3.28Å; E1240-N1244 WeakPolarHBondContact O-CB 3.39Å; E1240-N1244 PolarHBondContact O-N 2.93Å; E1240-N1244 PolarHBondContact O-ND2 2.91Å; E1240-N1244 PolarHBondContact O-OD1 2.79Å; L1241-N1244 PolarHBondContact O-N 2.81Å; N1244-G1246 PolarHBondContact O-N 3.04Å; N1244-G1246 VanDerWaalsContact O-N 3.16Å
1245G74.1Confident90.3Very high31 Ų3159.2 Ų59.232%0.3229%0.286SS..THydrogen-bonded Turntrans-61.2-12.9163.700000114.2L1241 R1247 R1248L1241-G1245 PolarHBondContact O-N 2.8Å; G1245-R1247 PolarHBondContact O-N 2.84Å; G1245-R1248 CarbonylContact C-O 3.29Å; G1245-R1248 VanDerWaalsContact C-O 3.29Å; G1245-R1248 WeakPolarHBondContact CA-O 3.42Å; G1245-R1248 PolarHBondContact O-N 3.37Å
1246G82.2Confident89.8Confident30 Ų3058.6 Ų58.631%0.30929%0.29SS..THydrogen-bonded Turntrans76.2-91.8166.700000113.4R1180 K1243 N1244R1180-G1246 WeakPolarHBondContact CD-O 3.31Å; R1180-G1246 PolarHBondContact NH1-O 2.98Å; K1243-G1246 PolarHBondContact O-N 3.4Å; N1244-G1246 PolarHBondContact O-N 3.04Å; N1244-G1246 VanDerWaalsContact O-N 3.16Å
1247R87.1Confident89.1Confident210 Ų21062.4 Ų62.479%0.79230%0.302SS*.THydrogen-bonded Turntrans-104.4-15.3179.9-74.9-160.3-62.4-106.60.4114.3R1180 G1245R1180-R1247 WeakPolarHBondContact CB-O 3.47Å; R1180-R1247 PolarHBondContact N-O 3.32Å; G1245-R1247 PolarHBondContact O-N 2.84Å
1248R87.6Confident88.1Confident124 Ų12460.4 Ų60.447%0.46831%0.31SS..EExtended strand (participates in β ladder)trans-130.2152.8176.9-75.6-177.759.1175.1-7.2109.9D1177 L1178 E1179 G1245D1177-R1248 IonicContact OD1-CZ 3.67Å; D1177-R1248 IonicContact OD1-NE 3.54Å; D1177-R1248 IonicContact OD1-NH2 2.71Å; D1177-R1248 PolarHBondContact OD1-NH2 2.71Å; L1178-R1248 VanDerWaalsContact O-CA 3.31Å; L1178-R1248 WeakPolarHBondContact O-CA 3.47Å; E1179-R1248 HydrophobicContact CG-CG 4.09Å; E1179-R1248 WeakPolarHBondContact OE1-CD 3.48Å; G1245-R1248 CarbonylContact C-O 3.29Å; G1245-R1248 VanDerWaalsContact C-O 3.29Å; G1245-R1248 WeakPolarHBondContact CA-O 3.42Å; G1245-R1248 PolarHBondContact O-N 3.37Å
1249V94.1Very high87.2Confident0 Ų063.6 Ų63.60%033%0.332CS..EExtended strand (participates in β ladder)trans-136.7133.6166.6650000108.4L1178 F1185 I1225 N1226 I1242 L1251L1178-V1249 HydrophobicContact CB-CG1 3.96Å; L1178-V1249 PolarHBondContact N-O 3.42Å; L1178-V1249 PolarHBondContact O-N 3.36Å; F1185-V1249 HydrophobicContact CD1-CG1 3.71Å; F1185-V1249 HydrophobicContact CD2-CG1 4.08Å; F1185-V1249 HydrophobicContact CE1-CB 4.14Å; F1185-V1249 HydrophobicContact CE1-CG1 3.69Å; F1185-V1249 HydrophobicContact CE2-CB 4.24Å; F1185-V1249 HydrophobicContact CE2-CG1 4.08Å; F1185-V1249 HydrophobicContact CG-CG1 3.9Å; F1185-V1249 HydrophobicContact CZ-CB 3.93Å; F1185-V1249 HydrophobicContact CZ-CG1 3.88Å; I1225-V1249 HydrophobicContact CG2-CG2 4.08Å; N1226-V1249 WeakPolarHBondContact OD1-CA 3.42Å; I1242-V1249 HydrophobicContact CG1-CG2 4.34Å; V1249-L1251 HydrophobicContact CG1-CD1 4.49Å; V1249-L1251 HydrophobicContact CG1-CG 4.39Å; V1249-L1251 HydrophobicContact CG2-CD2 3.71Å; V1249-L1251 HydrophobicContact CG2-CG 4.1Å
1250H93.4Very high86.4Confident63 Ų6362.8 Ų62.829%0.29233%0.329SS..EExtended strand (participates in β ladder)trans-100.7129.8169.2-168.685.8000108D1177 N1226D1177-H1250 IonicContact OD1-ND1 3.49Å; D1177-H1250 PolarHBondContact OD1-ND1 2.99Å; D1177-H1250 IonicContact OD2-CE1 3.45Å; D1177-H1250 PolarHBondContact OD2-CE1 3.05Å; D1177-H1250 IonicContact OD2-ND1 2.92Å; D1177-H1250 PolarHBondContact OD2-ND1 3.09Å; N1226-H1250 PolarHBondContact N-O 3.2Å; N1226-H1250 PolarHBondContact OD1-N 3.35Å
1251L95.9Very high85.5Confident0 Ų060.4 Ų60.40%032%0.321CS..EExtended strand (participates in β ladder)trans-125.6134.9-178.6-59.6173.6000109S1175 V1176 L1178 F1187 M1216 I1222 E1224 I1225 V1249 L1253S1175-L1251 CarbonylContact C-O 3.47Å; S1175-L1251 VanDerWaalsContact CA-O 3.25Å; S1175-L1251 WeakPolarHBondContact CA-O 3.36Å; V1176-L1251 PolarHBondContact N-O 2.8Å; V1176-L1251 PolarHBondContact O-N 2.91Å; L1178-L1251 HydrophobicContact CD1-CD1 4.29Å; F1187-L1251 HydrophobicContact CE1-CD1 3.97Å; F1187-L1251 HydrophobicContact CE2-CD1 4.43Å; F1187-L1251 HydrophobicContact CZ-CD1 3.74Å; M1216-L1251 HydrophobicContact CE-CD1 4.44Å; M1216-L1251 HydrophobicContact SD-CD1 3.86Å; I1222-L1251 HydrophobicContact CG2-CD2 4.08Å; E1224-L1251 WeakPolarHBondContact O-CA 3.39Å; I1225-L1251 HydrophobicContact CB-CD2 4.34Å; I1225-L1251 HydrophobicContact CG1-CD2 3.88Å; I1225-L1251 HydrophobicContact CG2-CD2 4.21Å; V1249-L1251 HydrophobicContact CG1-CD1 4.49Å; V1249-L1251 HydrophobicContact CG1-CG 4.39Å; V1249-L1251 HydrophobicContact CG2-CD2 3.71Å; V1249-L1251 HydrophobicContact CG2-CG 4.1Å; L1251-L1253 HydrophobicContact CB-CD1 3.67Å; L1251-L1253 HydrophobicContact CB-CG 4.44Å
1252V94.9Very high84.4Confident30 Ų3066 Ų6618%0.18235%0.347CS..EExtended strand (participates in β ladder)trans-102.6126.2164.7-1770000107.3L1223 E1224L1223-V1252 PolarHBondContact N-O 3.02Å; E1224-V1252 HydrophobicContact CB-CB 3.89Å; E1224-V1252 HydrophobicContact CB-CG2 3.96Å; E1224-V1252 HydrophobicContact CG-CB 4.1Å; E1224-V1252 HydrophobicContact CG-CG2 4.23Å; E1224-V1252 PolarHBondContact N-O 2.67Å; E1224-V1252 PolarHBondContact O-N 3.47Å; E1224-V1252 VanDerWaalsContact O-N 3.12Å
1253L94.6Very high82.5Confident0 Ų069.7 Ų69.70%036%0.36CS..EExtended strand (participates in β ladder)trans-125.5149.9-177-58.398.7000112.1F1173 Y1174 V1176 V1201 M1216 D1220 E1221 I1222 L1251F1173-L1253 CarbonylContact C-O 3.51Å; F1173-L1253 WeakPolarHBondContact CA-O 3.34Å; Y1174-L1253 HydrophobicContact CD1-CB 4.36Å; Y1174-L1253 WeakPolarHBondContact CD1-O 3.03Å; Y1174-L1253 HydrophobicContact CE1-CB 3.73Å; Y1174-L1253 HydrophobicContact CE2-CD1 4.4Å; Y1174-L1253 PolarHBondContact N-O 2.84Å; Y1174-L1253 PolarHBondContact O-N 2.8Å; V1176-L1253 HydrophobicContact CB-CD1 4.09Å; V1176-L1253 HydrophobicContact CG2-CD1 3.7Å; V1201-L1253 HydrophobicContact CG2-CD2 3.85Å; M1216-L1253 HydrophobicContact CG-CD1 4.15Å; M1216-L1253 HydrophobicContact CG-CD2 3.7Å; M1216-L1253 HydrophobicContact SD-CD1 4.2Å; M1216-L1253 HydrophobicContact SD-CD2 4.04Å; D1220-L1253 HydrophobicContact CB-CB 4.47Å; D1220-L1253 HydrophobicContact CB-CD2 3.66Å; E1221-L1253 CarbonylContact O-C 3.58Å; E1221-L1253 WeakPolarHBondContact O-CA 3.39Å; E1221-L1253 WeakPolarHBondContact O-CB 3.48Å; I1222-L1253 HydrophobicContact CG1-CD2 3.62Å; I1222-L1253 HydrophobicContact CG1-CG 4.01Å; L1251-L1253 HydrophobicContact CB-CD1 3.67Å; L1251-L1253 HydrophobicContact CB-CG 4.44Å
1254K92.8Very high80.8Confident71 Ų7167.7 Ų67.731%0.30938%0.378SS..EExtended strand (participates in β ladder)trans-94.9142.2161.3-168.6-171.7-175.2-178.60108.8S1171 F1173 E1221 L1223 G1256S1171-K1254 WeakPolarHBondContact OG-CE 3.49Å; F1173-K1254 HydrophobicContact CD1-CB 3.82Å; F1173-K1254 HydrophobicContact CD1-CG 3.9Å; F1173-K1254 HydrophobicContact CE1-CB 3.99Å; F1173-K1254 HydrophobicContact CE1-CD 4.02Å; F1173-K1254 HydrophobicContact CE1-CG 3.76Å; E1221-K1254 HydrophobicContact CB-CB 4.14Å; E1221-K1254 PolarHBondContact N-O 2.9Å; E1221-K1254 VanDerWaalsContact N-O 3.16Å; E1221-K1254 PolarHBondContact O-N 3.35Å; E1221-K1254 VanDerWaalsContact OE2-CD 3.27Å; E1221-K1254 WeakPolarHBondContact OE2-CD 3.11Å; E1221-K1254 IonicContact OE2-NZ 3.91Å; L1223-K1254 HydrophobicContact CD1-CB 4.12Å; L1223-K1254 HydrophobicContact CG-CB 4.5Å; K1254-G1256 PolarHBondContact O-N 3.04Å
1255R92.4Very high78.4Confident78 Ų7863.5 Ų63.529%0.29436%0.363SS..PPolyproline II helixtrans-64.6122.4175.5-174.457.358-1576.6110.8Y1174 K1215 D1220Y1174-R1255 VanDerWaalsContact CE1-CZ 3.43Å; Y1174-R1255 VanDerWaalsContact CE1-NH2 3.27Å; Y1174-R1255 PolarHBondContact OH-NH1 3.36Å; K1215-R1255 PolarHBondContact O-NH1 3.15Å; K1215-R1255 VanDerWaalsContact O-NH1 3.17Å; K1215-R1255 PolarHBondContact O-NH2 2.77Å; D1220-R1255 WeakPolarHBondContact OD1-CA 3.5Å; D1220-R1255 WeakPolarHBondContact OD1-CD 3.5Å; D1220-R1255 IonicContact OD1-CZ 3.34Å; D1220-R1255 IonicContact OD1-NE 2.91Å; D1220-R1255 IonicContact OD1-NH1 3.03Å; D1220-R1255 PolarHBondContact OD1-NH1 2.96Å; D1220-R1255 IonicContact OD2-CZ 2.87Å; D1220-R1255 IonicContact OD2-NH1 3.97Å; D1220-R1255 PolarHBondContact OD2-NH1 3.27Å
1256G82.2Confident76.4Confident25 Ų2566.6 Ų66.626%0.25838%0.38SS..PPolyproline II helixtrans-84.3164.2172.400000113.3G1219 D1220 K1254 G1258G1219-G1256 WeakPolarHBondContact O-CA 3.42Å; D1220-G1256 PolarHBondContact OD1-N 2.92Å; K1254-G1256 PolarHBondContact O-N 3.04Å; G1256-G1258 PolarHBondContact O-N 2.86Å
1257D78.6Confident73.9Confident138 Ų13871.6 Ų71.674%0.73840%0.398SS*.  trans-78.4-8.4174.171.3-17000113.4S1259D1257-S1259 WeakPolarHBondContact OD1-CA 3.47Å; D1257-S1259 VanDerWaalsContact OD1-CB 3.29Å; D1257-S1259 WeakPolarHBondContact OD1-CB 3.38Å; D1257-S1259 PolarHBondContact OD1-N 2.83Å; D1257-S1259 PolarHBondContact OD1-OG 3.34Å; D1257-S1259 PolarHBondContact OD2-OG 3.17Å
1258G70.7Confident71.3Confident48 Ų4870.4 Ų70.450%0.49540%0.395SS..SBendtrans103.6-11-175.800000113.8G1256G1256-G1258 PolarHBondContact O-N 2.86Å
1259S74.6Confident68.5Low67 Ų6772.7 Ų72.747%0.46941%0.411SS..  trans-84.6159.1170.479.30000111.3G1219 D1257G1219-S1259 WeakPolarHBondContact CA-O 3.49Å; D1257-S1259 WeakPolarHBondContact OD1-CA 3.47Å; D1257-S1259 VanDerWaalsContact OD1-CB 3.29Å; D1257-S1259 WeakPolarHBondContact OD1-CB 3.38Å; D1257-S1259 PolarHBondContact OD1-N 2.83Å; D1257-S1259 PolarHBondContact OD1-OG 3.34Å; D1257-S1259 PolarHBondContact OD2-OG 3.17Å
1260V76.6Confident65.4Low30 Ų3079.7 Ų79.718%0.18245%0.448CS..  trans-132.3123.1173.8-178.90000107.1V1201 L1202 V1218V1201-V1260 WeakPolarHBondContact O-CG2 3.41Å; L1202-V1260 HydrophobicContact CB-CG1 4.49Å; L1202-V1260 HydrophobicContact CD1-CB 4.38Å; L1202-V1260 HydrophobicContact CD1-CG1 4Å; V1218-V1260 HydrophobicContact CG1-CG2 3.66Å
1261P71.3Confident62.5Low40 Ų4083.5 Ų83.526%0.2647%0.47SS..  trans-58.7142.8-177.7-24.833.6000113.2R1190 M1197 Y1200R1190-P1261 WeakPolarHBondContact CD-O 3.49Å; R1190-P1261 PolarHBondContact NE-O 3.44Å; M1197-P1261 HydrophobicContact CE-CB 4.5Å; M1197-P1261 HydrophobicContact SD-CB 3.86Å; M1197-P1261 HydrophobicContact SD-CG 4.4Å; Y1200-P1261 HydrophobicContact CD2-CG 4.3Å; Y1200-P1261 HydrophobicContact CE2-CG 4.07Å
1262E70Confident59.4Low130 Ų13089.3 Ų89.361%0.60751%0.507SS*.BIsolated β-bridgetrans-83.9149.8178.3-63-125.9101.600112.3R1190 G1264 G1265R1190-E1262 IonicContact NH2-OE1 3.99Å; R1190-E1262 PolarHBondContact NH2-OE1 3.27Å; E1262-G1264 VanDerWaalsContact C-N 3.35Å; E1262-G1264 PolarHBondContact O-N 3.41Å; E1262-G1265 WeakPolarHBondContact CA-O 3.47Å; E1262-G1265 VanDerWaalsContact CB-O 3.3Å; E1262-G1265 WeakPolarHBondContact CB-O 3.39Å; E1262-G1265 PolarHBondContact N-O 2.99Å; E1262-G1265 PolarHBondContact O-N 3.45Å
1263Y50.4Low56.1Low94 Ų9497.6 Ų97.637%0.36954%0.541SS..THydrogen-bonded Turntrans-68.294.7171.9-74.1-40.6000109.3R1190 G1191 Y1195 M1197R1190-Y1263 HydrophobicContact CG-CE1 3.84Å; R1190-Y1263 HydrophobicContact CG-CE2 4.03Å; R1190-Y1263 VanDerWaalsContact NH1-CD2 3.33Å; G1191-Y1263 PolarHBondContact N-OH 2.83Å; Y1195-Y1263 VanDerWaalsContact CB-CE1 3.47Å; Y1195-Y1263 AromaticContact CD1-CD1 3.99Å; Y1195-Y1263 HydrophobicContact CD1-CD1 3.99Å; Y1195-Y1263 AromaticContact CD1-CE1 3.83Å; Y1195-Y1263 HydrophobicContact CD1-CE1 3.83Å; Y1195-Y1263 HydrophobicContact CD2-CD1 4.4Å; Y1195-Y1263 AromaticContact CD2-CE1 3.48Å; Y1195-Y1263 HydrophobicContact CD2-CE1 3.48Å; Y1195-Y1263 VanDerWaalsContact CD2-CE1 3.48Å; Y1195-Y1263 AromaticContact CD2-CZ 3.68Å; Y1195-Y1263 WeakPolarHBondContact CD2-OH 3.35Å; Y1195-Y1263 HydrophobicContact CE1-CE1 4.43Å; Y1195-Y1263 HydrophobicContact CE2-CE1 4.11Å; Y1195-Y1263 AromaticContact CE2-CZ 3.83Å; Y1195-Y1263 WeakPolarHBondContact CE2-OH 3.27Å; Y1195-Y1263 AromaticContact CG-CD1 3.79Å; Y1195-Y1263 HydrophobicContact CG-CD1 3.79Å; Y1195-Y1263 AromaticContact CG-CE1 3.3Å; Y1195-Y1263 HydrophobicContact CG-CE1 3.3Å; Y1195-Y1263 AromaticContact CG-CZ 3.87Å; M1197-Y1263 HydrophobicContact CE-CD1 3.31Å; M1197-Y1263 HydrophobicContact CE-CE1 3.55Å; M1197-Y1263 HydrophobicContact CE-CG 4.36Å
1264G50.9Low52.9Low90 Ų90102.9 Ų102.993%0.92858%0.578SS**THydrogen-bonded Turntrans91.329.3-171.500000114.3E1262E1262-G1264 VanDerWaalsContact C-N 3.35Å; E1262-G1264 PolarHBondContact O-N 3.41Å
1265G32.8Very low50.6Low35 Ų35104.6 Ų104.636%0.36160%0.596SS.*BIsolated β-bridgetrans-171.7119.6171.400000115.8E1262E1262-G1265 WeakPolarHBondContact CA-O 3.47Å; E1262-G1265 VanDerWaalsContact CB-O 3.3Å; E1262-G1265 WeakPolarHBondContact CB-O 3.39Å; E1262-G1265 PolarHBondContact N-O 2.99Å; E1262-G1265 PolarHBondContact O-N 3.45Å
1266S31.4Very low47.5Very low95 Ų95107 Ų10766%0.66461%0.613SS**  171.5109.6125-175.60000110.5
1267I30.3Very low44.8Very low135 Ų135115 Ų11569%0.69264%0.642SS**SBend-145122.2106.3-30176.4000103.3
1268Y31Very low42.4Very low185 Ų185114 Ų11473%0.72564%0.64SS**  cis-133.7156.218.3-64.7-107.5000111
1269E29.8Very low41.1Very low172 Ų172120.9 Ų120.980%0.80468%0.677SS**  -152128.1124.1-147.4-177.2-151.400113.3
1270N29Very low39.4Very low147 Ų147123.6 Ų123.679%0.78669%0.687SS**  trans-167.4129.6164.3-111.2-58.2000101.3
1271I31.6Very low37.4Very low144 Ų144128.5 Ų128.574%0.73871%0.714SS**  cis-142.2-148.737.4-25.7176.3000110.4
1272P31.7Very low35.6Very low121 Ų121133.4 Ų133.479%0.78674%0.739SS**  trans-109.3172.2-13844.2-31.5000117.5
1273F26.2Very low33.5Very low205 Ų205133.6 Ų133.690%0.89975%0.747SS**  trans-95.6140.9176-104.5-84.4000114.7
1274S26.4Very low32.5Very low110 Ų110136.1 Ų136.177%0.76977%0.77SS**  trans-177166.7146.858.60000110
1275P45.8Very low31.2Very low107 Ų107139.2 Ų139.270%0.69576%0.76SS**  -140.1-164.5-101.530.5-4.2000117.1
1276I25.6Very low31.1Very low128 Ų128146.6 Ų146.666%0.65679%0.788SS**  trans81108156.1-27.8179.9000118.8
1277F26.8Very low31.1Very low195 Ų195150.6 Ų150.686%0.85580%0.798SS**  -170144.398.2-111.6-74.9000116.3
1278T28.2Very low31.2Very low115 Ų115151.9 Ų151.971%0.70681%0.807SS**  trans-97.2173.1175.624.40000111.2
1279P42.2Very low31.2Very low194 Ų194148.9 Ų148.9100%1.2681%0.814SS**  cis-120.7019.941.5-28.4000117.6

Retrieved 1,279 of 1,279 residues in 893.7 ms (Link to these results)

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