A0A087YEE7_POEFO Loading...

Immunoglobulin superfamily DCC subclass member 4

AlphaFold DB , UniProt , Accession A0A087YEE7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 1,029 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
1M30.3Very low28.9Very low246 Ų246149.6 Ų149.6100%1.21278%0.784SS**  0110.40-73.9177.7-87.800106.5
2V25.4Very low29Very low120 Ų120148.6 Ų148.673%0.72778%0.779SS**  trans-115.7150-177.91780000108E6V2-E6 WeakPolarHBondContact CG1-OE2 3.48Å
3H25.5Very low29.1Very low153 Ų153145.8 Ų145.871%0.70878%0.779SS**  trans-66.4153.9-172.4-109.6-102.2000113.1S5H3-S5 PolarHBondContact O-N 3.5Å
4P28Very low29.3Very low111 Ų111143.4 Ų143.472%0.72178%0.779SS**G310 helixtrans-67.7-4.7-176.8-20.633.9000115.9
5S30.6Very low29.3Very low98 Ų98147.1 Ų147.169%0.68578%0.78SS**G310 helixtrans-82.3-5.2-174.648.60000115.2H3H3-S5 PolarHBondContact O-N 3.5Å
6E31.7Very low29.8Very low140 Ų140147.1 Ų147.165%0.65479%0.787SS**G310 helixtrans-108.13-178.2-64-169.5152.200114.2V2 I8V2-E6 WeakPolarHBondContact CG1-OE2 3.48Å; E6-I8 VanDerWaalsContact C-N 3.34Å; E6-I8 PolarHBondContact O-N 2.65Å
7L30.8Very low30.2Very low131 Ų131145.9 Ų145.969%0.68678%0.776SS**G310 helixtrans-82.7-0.2-171.2-107.6153.5000115.6
8I33.6Very low30.9Very low165 Ų165144.8 Ų144.885%0.84676%0.763SS**G310 helixtrans-80.3-17.3-178.4-67.3175.8000112.6E6E6-I8 VanDerWaalsContact C-N 3.34Å; E6-I8 PolarHBondContact O-N 2.65Å
9C28.6Very low31.9Very low115 Ų115142.7 Ų142.778%0.77776%0.759SS**G310 helixtrans-98.88.9-171.6-68.70000116.5
10F25.8Very low33.2Very low173 Ų173138.8 Ų138.876%0.75974%0.74SS**SBendtrans-117.714.8-167-106.3-75.9000118
11F27.9Very low35Very low194 Ų194135.3 Ų135.385%0.85173%0.727SS**SBendtrans-131.635.4177.7-94.8-74000115.8
12L30.3Very low37.3Very low137 Ų137127.1 Ų127.172%0.71770%0.699SS**  trans-134.568.9166.6-74.2174.6000111.7
13S29.3Very low39.9Very low112 Ų112122.6 Ų122.678%0.78367%0.671SS**  trans-111.994.4168.965.50000111
14S32Very low42.5Very low112 Ų112119.8 Ų119.878%0.78366%0.658SS**SBendtrans170.57.9148.9460000116.3
15Y30.1Very low45Very low200 Ų200114.5 Ų114.578%0.78462%0.624SS**SBendtrans-131.7149.5164.7-92.4-87.8000111.6E17Y15-E17 PolarHBondContact O-N 2.79Å
16T36.3Very low47Very low146 Ų146111.1 Ų111.190%0.89660%0.6SS**  trans-74.677176.351.80000109.8
17E37.1Very low48.8Very low127 Ų127105.1 Ų105.159%0.59357%0.574SS**PPolyproline II helixtrans-86.9139.3-174-67.1-170.315800112.6Y15Y15-E17 PolarHBondContact O-N 2.79Å
18K42.3Very low50.3Low126 Ų126100.4 Ų100.455%0.54856%0.556SS.*PPolyproline II helixtrans-70.3154.7172.4-58.6179.2-171.1173.70109.4V20 G39 L40K18-V20 PolarHBondContact O-N 2.72Å; K18-G39 WeakPolarHBondContact CD-O 3.35Å; K18-G39 PolarHBondContact NZ-O 3.08Å; K18-L40 HydrophobicContact CB-CD2 3.55Å; K18-L40 HydrophobicContact CD-CD2 3.61Å; K18-L40 HydrophobicContact CG-CD2 4.23Å
19P50.3Low51.6Low105 Ų10596.1 Ų96.168%0.68255%0.546SS*.PPolyproline II helixtrans-56.4133178.323.6-34.9000111.8
20V58Low53.3Low64 Ų6492 Ų9239%0.38852%0.523SS..PPolyproline II helixtrans-87.7124.6173.4-170.90000108.1K18 P41 L43 L83K18-V20 PolarHBondContact O-N 2.72Å; V20-P41 HydrophobicContact CB-CG 4.3Å; V20-P41 HydrophobicContact CG1-CB 4.42Å; V20-P41 HydrophobicContact CG1-CG 4.11Å; V20-P41 HydrophobicContact CG2-CG 3.9Å; V20-L43 HydrophobicContact CG1-CB 4.01Å; V20-L83 HydrophobicContact CG1-CD1 4.05Å
21S71.5Confident55.3Low66 Ų6687.2 Ų87.246%0.46251%0.509SS..EExtended strand (participates in β ladder)trans-76.5134.9170.2-64.50000109.1P41 L42 L43S21-P41 PolarHBondContact N-O 2.94Å; S21-L42 CarbonylContact O-C 3.59Å; S21-L42 WeakPolarHBondContact O-CA 3.37Å; S21-L43 PolarHBondContact O-N 3.26Å
22A78.1Confident57.3Low75 Ų7579.5 Ų79.562%0.6248%0.479SS*.EExtended strand (participates in β ladder)trans-119.5137.117900000111.5L43A22-L43 CarbonylContact C-O 3.52Å; A22-L43 WeakPolarHBondContact CA-O 3.24Å; A22-L43 HydrophobicContact CB-CB 4.29Å; A22-L43 HydrophobicContact CB-CD2 4.48Å
23V80.8Confident59.8Low24 Ų2477.2 Ų77.215%0.14547%0.465CS..EExtended strand (participates in β ladder)trans-129.9120.6176.4176.60000110L25 V34 L42 L43 L44 D45V23-L25 HydrophobicContact CG1-CD1 4.4Å; V23-V34 HydrophobicContact CB-CG2 4.38Å; V23-V34 HydrophobicContact CG1-CG2 3.98Å; V23-V34 HydrophobicContact CG2-CG1 3.9Å; V23-V34 HydrophobicContact CG2-CG2 3.81Å; V23-L42 HydrophobicContact CG2-CD1 4.02Å; V23-L43 PolarHBondContact N-O 2.95Å; V23-L44 HydrophobicContact CB-CD2 4.15Å; V23-D45 PolarHBondContact O-N 2.89Å
24E80.3Confident62.4Low94 Ų9472.8 Ų72.844%0.43943%0.433SS..EExtended strand (participates in β ladder)trans-82.5120.6175.8-168.2-179.8175.900110.6S26 N47 R115E24-S26 PolarHBondContact O-N 2.98Å; E24-N47 HydrophobicContact CG-CB 3.87Å; E24-N47 VanDerWaalsContact OE1-CB 3.29Å; E24-N47 WeakPolarHBondContact OE1-CB 3.44Å; E24-N47 PolarHBondContact OE1-ND2 3.34Å; E24-R115 PolarHBondContact O-NH1 3.18Å
25L78.7Confident64.9Low0 Ų069.8 Ų69.80%041%0.407CS..  trans-92.972.9169.5-74.178.2000109.2V23 L44 D45 L48 W59 V117V23-L25 HydrophobicContact CG1-CD1 4.4Å; L25-L44 HydrophobicContact CD1-CB 3.82Å; L25-L44 HydrophobicContact CD1-CD2 4.14Å; L25-L44 HydrophobicContact CD1-CG 4.41Å; L25-D45 WeakPolarHBondContact CA-O 3.31Å; L25-D45 WeakPolarHBondContact CB-O 3.42Å; L25-D45 PolarHBondContact N-O 3.17Å; L25-L48 WeakPolarHBondContact O-CD2 3.48Å; L25-W59 HydrophobicContact CD1-CH2 4.13Å; L25-W59 HydrophobicContact CD1-CZ3 4.36Å; L25-W59 HydrophobicContact CD2-CH2 4.16Å; L25-W59 HydrophobicContact CD2-CZ3 3.76Å; L25-V117 HydrophobicContact CD1-CG1 4.09Å; L25-V117 HydrophobicContact CD2-CG1 3.84Å; L25-V117 HydrophobicContact CG-CG1 4.01Å
26S74.3Confident67.4Low28 Ų2860.4 Ų60.420%0.19637%0.371CS..  trans-86.5176.9167.972.10000111.7E24 G28 N47E24-S26 PolarHBondContact O-N 2.98Å; S26-G28 PolarHBondContact O-N 3.01Å; S26-G28 PolarHBondContact OG-N 3.36Å; S26-G28 VanDerWaalsContact OG-N 3.16Å; S26-N47 WeakPolarHBondContact CA-O 3.38Å; S26-N47 WeakPolarHBondContact CB-O 3.21Å
27C68.2Low69.5Low14 Ų1457.1 Ų57.110%0.09535%0.345CS..SBendtrans-70.1-15.2167.3-68.90000112.7Q381 C392 T394C27-Q381 PolarHBondContact SG-NE2 3.29Å; C27-C392 HydrophobicContact CB-CB 4.3Å; C27-C392 CarbonylContact O-C 3.54Å; C27-C392 WeakPolarHBondContact O-CA 3.45Å; C27-C392 WeakPolarHBondContact O-CB 3.4Å; C27-C392 PolarHBondContact O-N 3.38Å; C27-T394 PolarHBondContact SG-OG1 2.77Å; C27-T394 VanDerWaalsContact SG-OG1 3.36Å
28G63.7Low71.2Confident31 Ų3155.8 Ų55.832%0.3234%0.342SS..SBendtrans-67177.5-174.200000114.5S26 G30S26-G28 PolarHBondContact O-N 3.01Å; S26-G28 PolarHBondContact OG-N 3.36Å; S26-G28 VanDerWaalsContact OG-N 3.16Å; G28-G30 PolarHBondContact O-N 3.1Å
29A59.1Low72.6Confident76 Ų7651 Ų5163%0.62833%0.328SS*.SBendtrans-61.8135.7168.300000110A391A29-A391 HydrophobicContact CB-CB 4.45Å
30G65.3Low73.8Confident28 Ų2847.8 Ų47.829%0.28931%0.305SS..  trans-164.6171.9177.900000111.4G28G28-G30 PolarHBondContact O-N 3.1Å
31P67Low74.9Confident72 Ų7246.3 Ų46.347%0.46830%0.297SS..  trans-64.6143.8-177.628.1-36.3000111.4H33 V34 R115P31-H33 VanDerWaalsContact C-N 3.32Å; P31-H33 WeakPolarHBondContact CB-O 3.34Å; P31-V34 HydrophobicContact CG-CG2 4.37Å; P31-R115 PolarHBondContact O-NE 2.88Å
32S70.8Confident75.5Confident33 Ų3343.3 Ų43.323%0.23128%0.276CS..SBendtrans-72.6-25.8175.550.60000113N118 L388S32-N118 PolarHBondContact O-N 2.92Å; S32-L388 WeakPolarHBondContact CB-O 3.35Å; S32-L388 PolarHBondContact OG-O 2.96Å
33H81.8Confident75.9Confident89 Ų8941.2 Ų41.241%0.41225%0.254SS..EExtended strand (participates in β ladder)trans-141155.7177.961.9-78.9000111.4P31 N118 L120P31-H33 VanDerWaalsContact C-N 3.32Å; P31-H33 WeakPolarHBondContact CB-O 3.34Å; H33-N118 CarbonylContact C-O 3.58Å; H33-N118 WeakPolarHBondContact CA-O 3.48Å; H33-N118 HydrophobicContact CB-CB 4.06Å; H33-N118 VanDerWaalsContact CB-O 3.31Å; H33-N118 WeakPolarHBondContact CB-O 3.34Å; H33-L120 HydrophobicContact CB-CD1 4Å; H33-L120 HydrophobicContact CB-CG 4.3Å
34V85.1Confident76.3Confident18 Ų1840.1 Ų40.111%0.10925%0.247CC..EExtended strand (participates in β ladder)trans-132.3140.6177.4173.50000107.9V23 P31 L42 V117 N118 V119 L120V23-V34 HydrophobicContact CB-CG2 4.38Å; V23-V34 HydrophobicContact CG1-CG2 3.98Å; V23-V34 HydrophobicContact CG2-CG1 3.9Å; V23-V34 HydrophobicContact CG2-CG2 3.81Å; P31-V34 HydrophobicContact CG-CG2 4.37Å; V34-L42 HydrophobicContact CG1-CD1 3.88Å; V34-L42 HydrophobicContact CG1-CD2 3.65Å; V34-L42 HydrophobicContact CG1-CG 4.45Å; V34-V117 HydrophobicContact CB-CG2 4.33Å; V34-V117 HydrophobicContact CG2-CG2 3.54Å; V34-N118 PolarHBondContact N-O 2.88Å; V34-V119 WeakPolarHBondContact O-CA 3.33Å; V34-L120 PolarHBondContact O-N 3.05Å
35I83.8Confident76.5Confident49 Ų4938.1 Ų38.125%0.25124%0.239SC..EExtended strand (participates in β ladder)trans-98125.6-177.4-55.5176.8000109.3L120 A122 V151 P152I35-L120 CarbonylContact C-O 3.57Å; I35-L120 WeakPolarHBondContact CA-O 3.12Å; I35-A122 HydrophobicContact CG2-CB 3.78Å; I35-V151 HydrophobicContact CD1-CG1 3.88Å; I35-V151 HydrophobicContact CG1-CG1 3.98Å; I35-V151 HydrophobicContact CG2-CG1 4.46Å; I35-P152 HydrophobicContact CD1-CB 3.54Å; I35-P152 HydrophobicContact CD1-CG 4.05Å
36L83.4Confident76.7Confident3 Ų338.8 Ų38.82%0.01624%0.244CC..EExtended strand (participates in β ladder)trans-96.4110.1176.8-179.361.5000110L42 P86 V97 V119 L120 L121 A122L36-L42 HydrophobicContact CD1-CB 3.51Å; L36-L42 HydrophobicContact CD1-CD2 4.22Å; L36-P86 HydrophobicContact CD1-CB 4.44Å; L36-P86 HydrophobicContact CD1-CG 3.95Å; L36-P86 HydrophobicContact CD2-CB 3.97Å; L36-P86 HydrophobicContact CD2-CG 4.36Å; L36-P86 HydrophobicContact CG-CB 4.08Å; L36-P86 HydrophobicContact CG-CG 4.09Å; L36-V97 HydrophobicContact CD2-CB 4.16Å; L36-V97 HydrophobicContact CD2-CG1 3.41Å; L36-V97 VanDerWaalsContact CD2-CG1 3.41Å; L36-V119 HydrophobicContact CB-CG1 3.9Å; L36-V119 HydrophobicContact CD2-CG1 4.27Å; L36-L120 PolarHBondContact N-O 2.89Å; L36-L121 HydrophobicContact CB-CD1 4.36Å; L36-L121 HydrophobicContact CD2-CD1 4.18Å; L36-L121 HydrophobicContact CG-CD1 4.23Å; L36-A122 WeakPolarHBondContact O-CB 3.48Å; L36-A122 PolarHBondContact O-N 2.89Å
37E79.8Confident76.7Confident78 Ų7841 Ų4136%0.36425%0.254SS..  trans-79.3139.1179.3-63.5-171.8-177.300112.3G39 L40 P86 A122 S199E37-G39 PolarHBondContact O-N 3Å; E37-G39 VanDerWaalsContact O-N 3.15Å; E37-L40 HydrophobicContact CB-CB 4.37Å; E37-L40 HydrophobicContact CB-CD1 4.18Å; E37-L40 PolarHBondContact O-N 2.83Å; E37-L40 WeakPolarHBondContact OE2-CD1 3.37Å; E37-P86 WeakPolarHBondContact O-CG 3.18Å; E37-A122 HydrophobicContact CG-CB 4.41Å; E37-S199 WeakPolarHBondContact OE1-CB 3.41Å; E37-S199 PolarHBondContact OE1-OG 3.01Å
38L73.6Confident76.9Confident98 Ų9841 Ų4151%0.51325%0.252SS..THydrogen-bonded Turntrans-64117.5-178-77.6170.5000111.6P94 L121L38-P94 HydrophobicContact CD2-CG 4.44Å; L38-L121 HydrophobicContact CD2-CD1 4.21Å; L38-L121 HydrophobicContact CD2-CD2 4.22Å; L38-L121 HydrophobicContact CD2-CG 4.5Å
39G70.4Confident76.6Confident26 Ų2642.6 Ų42.627%0.26827%0.269SS..THydrogen-bonded Turntrans81.716.1178.900000115.3K18 E37K18-G39 WeakPolarHBondContact CD-O 3.35Å; K18-G39 PolarHBondContact NZ-O 3.08Å; E37-G39 PolarHBondContact O-N 3Å; E37-G39 VanDerWaalsContact O-N 3.15Å
40L76.6Confident76.5Confident38 Ų3839.8 Ų39.820%0.19925%0.245CC..SBendtrans-118.8131.5162.4-68.3178.1000109.6K18 E37 P86K18-L40 HydrophobicContact CB-CD2 3.55Å; K18-L40 HydrophobicContact CD-CD2 3.61Å; K18-L40 HydrophobicContact CG-CD2 4.23Å; E37-L40 HydrophobicContact CB-CB 4.37Å; E37-L40 HydrophobicContact CB-CD1 4.18Å; E37-L40 PolarHBondContact O-N 2.83Å; E37-L40 WeakPolarHBondContact OE2-CD1 3.37Å; L40-P86 VanDerWaalsContact O-CD 3.31Å; L40-P86 WeakPolarHBondContact O-CD 3.47Å; L40-P86 WeakPolarHBondContact O-CG 3.35Å
41P80.9Confident75.8Confident32 Ų3243.6 Ų43.621%0.20827%0.267CS..  trans-76.8150.2176.332.7-35.3000112V20 S21 L83 L84V20-P41 HydrophobicContact CB-CG 4.3Å; V20-P41 HydrophobicContact CG1-CB 4.42Å; V20-P41 HydrophobicContact CG1-CG 4.11Å; V20-P41 HydrophobicContact CG2-CG 3.9Å; S21-P41 PolarHBondContact N-O 2.94Å; P41-L83 HydrophobicContact CB-CD1 4.17Å; P41-L84 WeakPolarHBondContact CA-O 3.45Å
42L84.7Confident75.1Confident3 Ų342.6 Ų42.62%0.01626%0.258CS..EExtended strand (participates in β ladder)trans-119.1126.7176.8172.966.7000109.7S21 V23 V34 L36 L44 L84 V119S21-L42 CarbonylContact O-C 3.59Å; S21-L42 WeakPolarHBondContact O-CA 3.37Å; V23-L42 HydrophobicContact CG2-CD1 4.02Å; V34-L42 HydrophobicContact CG1-CD1 3.88Å; V34-L42 HydrophobicContact CG1-CD2 3.65Å; V34-L42 HydrophobicContact CG1-CG 4.45Å; L36-L42 HydrophobicContact CD1-CB 3.51Å; L36-L42 HydrophobicContact CD1-CD2 4.22Å; L42-L44 HydrophobicContact CD1-CD2 4.49Å; L42-L44 HydrophobicContact CD2-CD2 4.04Å; L42-L44 HydrophobicContact CG-CD2 4.06Å; L42-L84 HydrophobicContact CB-CB 4.27Å; L42-L84 HydrophobicContact CD2-CD2 4.23Å; L42-L84 PolarHBondContact N-O 2.86Å; L42-L84 PolarHBondContact O-N 2.8Å; L42-V119 HydrophobicContact CD2-CG1 4.17Å; L42-V119 HydrophobicContact CD2-CG2 4.27Å
43L86.5Confident74Confident32 Ų3246.1 Ų46.117%0.16828%0.278CS..EExtended strand (participates in β ladder)trans-97.7121.7174.3-177.563.8000110V20 S21 A22 V23 L77 L83V20-L43 HydrophobicContact CG1-CB 4.01Å; S21-L43 PolarHBondContact O-N 3.26Å; A22-L43 CarbonylContact C-O 3.52Å; A22-L43 WeakPolarHBondContact CA-O 3.24Å; A22-L43 HydrophobicContact CB-CB 4.29Å; A22-L43 HydrophobicContact CB-CD2 4.48Å; V23-L43 PolarHBondContact N-O 2.95Å; L43-L77 HydrophobicContact CD1-CD1 3.55Å; L43-L77 HydrophobicContact CD1-CG 4.27Å; L43-L77 HydrophobicContact CD2-CD1 4.43Å; L43-L83 HydrophobicContact CB-CD1 4.19Å; L43-L83 HydrophobicContact CD1-CB 4.33Å; L43-L83 HydrophobicContact CD1-CD1 4.18Å
44L88.1Confident72.5Confident0 Ų046.3 Ų46.30%029%0.288CS..EExtended strand (participates in β ladder)trans-98.4118.2168-56.8-173.8000108.4V23 L25 L42 W59 S81 L82 L84 Y101 V119V23-L44 HydrophobicContact CB-CD2 4.15Å; L25-L44 HydrophobicContact CD1-CB 3.82Å; L25-L44 HydrophobicContact CD1-CD2 4.14Å; L25-L44 HydrophobicContact CD1-CG 4.41Å; L42-L44 HydrophobicContact CD1-CD2 4.49Å; L42-L44 HydrophobicContact CD2-CD2 4.04Å; L42-L44 HydrophobicContact CG-CD2 4.06Å; L44-W59 HydrophobicContact CB-CH2 3.5Å; L44-W59 VanDerWaalsContact CB-CH2 3.5Å; L44-W59 HydrophobicContact CB-CZ2 4.39Å; L44-W59 HydrophobicContact CB-CZ3 3.79Å; L44-W59 HydrophobicContact CD1-CZ3 4.21Å; L44-W59 WeakPolarHBondContact O-CH2 3.38Å; L44-W59 VanDerWaalsContact O-CZ2 3.26Å; L44-W59 WeakPolarHBondContact O-CZ2 3.17Å; L44-S81 WeakPolarHBondContact O-CA 3.4Å; L44-S81 WeakPolarHBondContact O-CB 3.1Å; L44-L82 HydrophobicContact CB-CB 4.5Å; L44-L82 PolarHBondContact N-O 2.89Å; L44-L82 PolarHBondContact O-N 2.84Å; L44-L84 HydrophobicContact CD1-CD1 3.96Å; L44-L84 HydrophobicContact CD1-CD2 4.17Å; L44-L84 HydrophobicContact CG-CD1 4.04Å; L44-L84 HydrophobicContact CG-CD2 4.49Å; L44-Y101 HydrophobicContact CD1-CD1 4.01Å; L44-Y101 HydrophobicContact CD1-CD2 4.3Å; L44-Y101 HydrophobicContact CD1-CG 3.76Å; L44-V119 HydrophobicContact CD1-CG2 4.18Å
45D85.6Confident71.2Confident52 Ų5250.6 Ų50.628%0.27831%0.305SS..EExtended strand (participates in β ladder)trans-108140.9-178.3-166.722000112.3V23 L25 S81V23-D45 PolarHBondContact O-N 2.89Å; L25-D45 WeakPolarHBondContact CA-O 3.31Å; L25-D45 WeakPolarHBondContact CB-O 3.42Å; L25-D45 PolarHBondContact N-O 3.17Å; D45-S81 PolarHBondContact OD1-OG 3.11Å
46C81.8Confident70.7Confident14 Ų1454.1 Ų54.110%0.09532%0.324CS..  trans-107.675.7-171.9-170.90000112V57 W59 C103C46-V57 HydrophobicContact CB-CG1 3.73Å; C46-V57 HydrophobicContact CB-CG2 4.43Å; C46-W59 HydrophobicContact CB-CH2 4.31Å; C46-W59 HydrophobicContact CB-CZ2 3.74Å; C46-C103 HydrophobicContact CB-CB 3.81Å; C46-C103 WeakPolarHBondContact CB-SG 3.28Å; C46-C103 WeakPolarHBondContact SG-CB 3.35Å; C46-C103 CovalentContact SG-SG 2.03Å; C46-C103 PolarHBondContact SG-SG 2.85Å
47N74.6Confident70.7Confident75 Ų7555.5 Ų55.540%0.40133%0.333SS..  trans-102.290.9-178.5-173.313.3000112.5E24 S26 G49E24-N47 HydrophobicContact CG-CB 3.87Å; E24-N47 VanDerWaalsContact OE1-CB 3.29Å; E24-N47 WeakPolarHBondContact OE1-CB 3.44Å; E24-N47 PolarHBondContact OE1-ND2 3.34Å; S26-N47 WeakPolarHBondContact CA-O 3.38Å; S26-N47 WeakPolarHBondContact CB-O 3.21Å; N47-G49 PolarHBondContact OD1-N 2.71Å
48L72.3Confident71Confident13 Ų1354.4 Ų54.47%0.06833%0.331CS..  trans-9512.6-177.9-58.7176.9000114.3L25 S50 L112L25-L48 WeakPolarHBondContact O-CD2 3.48Å; L48-S50 VanDerWaalsContact C-N 3.33Å; L48-S50 PolarHBondContact O-N 2.72Å; L48-L112 HydrophobicContact CB-CB 4.01Å; L48-L112 HydrophobicContact CB-CD1 4.12Å; L48-L112 HydrophobicContact CD1-CB 3.88Å; L48-L112 WeakPolarHBondContact CD1-O 3.41Å; L48-L112 WeakPolarHBondContact O-CD1 3.17Å
49G57.9Low71.7Confident65 Ų6549.8 Ų49.867%0.6731%0.307SS*.  trans70.717.3164.300000116.6N47N47-G49 PolarHBondContact OD1-N 2.71Å
50S55.4Low72.6Confident17 Ų1751 Ų5112%0.11931%0.305CS..  trans-78.4119.4172.455.70000111L48 D52 F55L48-S50 VanDerWaalsContact C-N 3.33Å; L48-S50 PolarHBondContact O-N 2.72Å; S50-D52 PolarHBondContact O-N 2.87Å; S50-F55 WeakPolarHBondContact OG-CE1 3.19Å
51S52Low73.3Confident109 Ų10950.4 Ų50.476%0.76230%0.301SS*.SBendtrans-62-15.7167.751.60000113.8
52D51.9Low73.6Confident51 Ų5153 Ų5327%0.27331%0.313SS..SBendtrans-106.1111.8-165.8-51.4-17.6000109.1S50 I109 R396S50-D52 PolarHBondContact O-N 2.87Å; D52-I109 WeakPolarHBondContact OD2-CD1 3.38Å; D52-R396 IonicContact OD2-NH1 3.93Å; D52-R396 PolarHBondContact OD2-NH1 3.23Å
53T46.8Very low73.5Confident107 Ų10755.9 Ų55.966%0.65634%0.344SS*.  trans-81.1161.6174.839.20000111.7F55T53-F55 HydrophobicContact CG2-CD2 3.86Å; T53-F55 HydrophobicContact CG2-CE2 3.48Å; T53-F55 VanDerWaalsContact CG2-CE2 3.48Å; T53-F55 HydrophobicContact CG2-CZ 4.33Å
54P50.5Low73.5Confident93 Ų9361.5 Ų61.560%0.60437%0.369SS*.  cis-102.7153.110.238.3-32.4000114.9N56P54-N56 PolarHBondContact O-N 2.84Å
55F58.5Low73.4Confident107 Ų10766.9 Ų66.947%0.46940%0.397SS..  trans-88.995-174.7-63.3-79.9000112.8S50 T53 V57S50-F55 WeakPolarHBondContact OG-CE1 3.19Å; T53-F55 HydrophobicContact CG2-CD2 3.86Å; T53-F55 HydrophobicContact CG2-CE2 3.48Å; T53-F55 VanDerWaalsContact CG2-CE2 3.48Å; T53-F55 HydrophobicContact CG2-CZ 4.33Å; F55-V57 HydrophobicContact CB-CG2 4.28Å; F55-V57 PolarHBondContact O-N 2.83Å
56N74.1Confident73.5Confident123 Ų12365.3 Ų65.366%0.65839%0.389SS*.EExtended strand (participates in β ladder)trans-84.989157.1-88-6.7000108.7P54 A106P54-N56 PolarHBondContact O-N 2.84Å; N56-A106 PolarHBondContact O-N 2.85Å
57V81.9Confident73.4Confident33 Ų3368.4 Ų68.420%0.241%0.409CS..EExtended strand (participates in β ladder)trans-79.5125.6171.5-178.40000109.2C46 F55 C103 V104C46-V57 HydrophobicContact CB-CG1 3.73Å; C46-V57 HydrophobicContact CB-CG2 4.43Å; F55-V57 HydrophobicContact CB-CG2 4.28Å; F55-V57 PolarHBondContact O-N 2.83Å; V57-C103 HydrophobicContact CG1-CB 4.18Å; V57-V104 WeakPolarHBondContact CA-O 3.49Å
58T87.4Confident73.2Confident54 Ų5474 Ų7433%0.33143%0.432SS..EExtended strand (participates in β ladder)trans-119.4130.3173.149.50000109.1C103 V104T58-C103 CarbonylContact O-C 3.55Å; T58-C103 VanDerWaalsContact O-CA 3.28Å; T58-C103 WeakPolarHBondContact O-CA 3.29Å; T58-V104 PolarHBondContact N-O 3.16Å; T58-V104 PolarHBondContact O-N 2.91Å; T58-V104 PolarHBondContact OG1-O 3.43Å; T58-V104 VanDerWaalsContact OG1-O 3.14Å
59W88.4Confident73.1Confident2 Ų277.5 Ų77.51%0.00846%0.463CS..EExtended strand (participates in β ladder)trans-102.2144.2-177.9-75.286.9000111.2L25 L44 C46 L66 Y76 G80 L82 C103L25-W59 HydrophobicContact CD1-CH2 4.13Å; L25-W59 HydrophobicContact CD1-CZ3 4.36Å; L25-W59 HydrophobicContact CD2-CH2 4.16Å; L25-W59 HydrophobicContact CD2-CZ3 3.76Å; L44-W59 HydrophobicContact CB-CH2 3.5Å; L44-W59 VanDerWaalsContact CB-CH2 3.5Å; L44-W59 HydrophobicContact CB-CZ2 4.39Å; L44-W59 HydrophobicContact CB-CZ3 3.79Å; L44-W59 HydrophobicContact CD1-CZ3 4.21Å; L44-W59 WeakPolarHBondContact O-CH2 3.38Å; L44-W59 VanDerWaalsContact O-CZ2 3.26Å; L44-W59 WeakPolarHBondContact O-CZ2 3.17Å; C46-W59 HydrophobicContact CB-CH2 4.31Å; C46-W59 HydrophobicContact CB-CZ2 3.74Å; W59-L66 HydrophobicContact CB-CB 4.39Å; W59-L66 HydrophobicContact CB-CD1 3.87Å; W59-L66 WeakPolarHBondContact O-CB 3.44Å; W59-L66 PolarHBondContact O-N 2.97Å; W59-Y76 HydrophobicContact CB-CE1 4.05Å; W59-Y76 AromaticContact CD1-CD1 3.97Å; W59-Y76 AromaticContact CD1-CE1 3.5Å; W59-Y76 VanDerWaalsContact CD1-CE1 3.5Å; W59-Y76 AromaticContact CG-CE1 3.96Å; W59-Y76 HydrophobicContact CG-CE1 3.96Å; W59-G80 PolarHBondContact NE1-O 3.46Å; W59-L82 HydrophobicContact CB-CD2 4.41Å; W59-L82 HydrophobicContact CD2-CB 3.78Å; W59-L82 HydrophobicContact CD2-CD2 3.95Å; W59-L82 HydrophobicContact CD2-CG 4.48Å; W59-L82 HydrophobicContact CE3-CB 4.16Å; W59-L82 HydrophobicContact CE3-CD2 3.86Å; W59-L82 HydrophobicContact CG-CB 4.26Å; W59-L82 HydrophobicContact CG-CD2 4.22Å; W59-L82 HydrophobicContact CH2-CB 4.24Å; W59-L82 HydrophobicContact CZ2-CB 3.84Å; W59-L82 HydrophobicContact CZ3-CB 4.37Å; W59-L82 HydrophobicContact CZ3-CD2 4.46Å; W59-C103 HydrophobicContact CD2-CB 3.83Å; W59-C103 HydrophobicContact CE3-CB 3.87Å; W59-C103 HydrophobicContact CG-CB 4.39Å; W59-C103 HydrophobicContact CH2-CB 4.19Å; W59-C103 HydrophobicContact CZ2-CB 4.17Å; W59-C103 HydrophobicContact CZ3-CB 4.06Å
60F89.3Confident73.5Confident51 Ų5175.7 Ų75.722%0.22444%0.44CS..EExtended strand (participates in β ladder)trans-124138.7178.3-64-99.8000109.3Q64 L65 Y101 S102 V104F60-Q64 CarbonylContact C-O 3.54Å; F60-Q64 WeakPolarHBondContact CA-O 3.48Å; F60-L65 HydrophobicContact CD1-CB 4.27Å; F60-L65 HydrophobicContact CE1-CB 3.99Å; F60-L65 HydrophobicContact CE1-CD1 4.03Å; F60-L65 HydrophobicContact CE2-CD1 4.27Å; F60-L65 HydrophobicContact CZ-CD1 3.87Å; F60-Y101 WeakPolarHBondContact O-CA 3.47Å; F60-S102 PolarHBondContact N-O 3.37Å; F60-S102 PolarHBondContact O-N 3.38Å; F60-V104 HydrophobicContact CD2-CG2 4.12Å; F60-V104 HydrophobicContact CE2-CB 4.04Å; F60-V104 HydrophobicContact CE2-CG2 3.62Å; F60-V104 HydrophobicContact CZ-CG2 4.45Å
61K90Very high74.2Confident25 Ų2577.1 Ų77.111%0.10946%0.457CS..EExtended strand (participates in β ladder)trans-122.5125.4170.4-173.1-167.7177.5-1720108G63 Q64 L66 N96 E98 S100 Y101K61-G63 PolarHBondContact O-N 3.36Å; K61-Q64 PolarHBondContact N-O 3.38Å; K61-Q64 PolarHBondContact O-N 3.21Å; K61-L66 HydrophobicContact CB-CD1 4Å; K61-L66 HydrophobicContact CB-CD2 3.81Å; K61-L66 HydrophobicContact CB-CG 3.82Å; K61-N96 PolarHBondContact NZ-O 2.89Å; K61-E98 WeakPolarHBondContact CE-O 3.49Å; K61-E98 PolarHBondContact NZ-O 3.15Å; K61-S100 CarbonylContact C-O 3.53Å; K61-S100 WeakPolarHBondContact CA-O 3.32Å; K61-Y101 HydrophobicContact CB-CD1 4.44Å; K61-Y101 HydrophobicContact CB-CE1 4.18Å; K61-Y101 HydrophobicContact CD-CE1 4.28Å; K61-Y101 HydrophobicContact CG-CD1 4.49Å; K61-Y101 HydrophobicContact CG-CE1 4.01Å; K61-Y101 HydrophobicContact CG-CE2 4.27Å
62D87.5Confident74.8Confident86 Ų8678 Ų7846%0.4645%0.453SS..THydrogen-bonded Turntrans5438.7179.2-55-46.9000112.9Q64 S100D62-Q64 PolarHBondContact O-N 2.84Å; D62-S100 WeakPolarHBondContact CA-OG 3.21Å; D62-S100 PolarHBondContact N-O 2.86Å; D62-S100 PolarHBondContact OD1-N 3.47Å; D62-S100 PolarHBondContact OD1-OG 3.36Å
63G82.3Confident75.9Confident65 Ų6579.6 Ų79.667%0.6746%0.455SS*.THydrogen-bonded Turntrans74.3-4.2-176.500000115.2K61K61-G63 PolarHBondContact O-N 3.36Å
64Q86.7Confident77.7Confident150 Ų15074.9 Ų74.970%0.70143%0.426SS*.EExtended strand (participates in β ladder)trans-97.8141.4179.3-57.3-170.515.800111.3F60 K61 D62 L66F60-Q64 CarbonylContact C-O 3.54Å; F60-Q64 WeakPolarHBondContact CA-O 3.48Å; K61-Q64 PolarHBondContact N-O 3.38Å; K61-Q64 PolarHBondContact O-N 3.21Å; D62-Q64 PolarHBondContact O-N 2.84Å; Q64-L66 PolarHBondContact O-N 3.12Å
65L87.4Confident79.1Confident112 Ų11276.7 Ų76.759%0.58642%0.421SS*.EExtended strand (participates in β ladder)trans-63.7124.9176.9179.868.8000110.1F60F60-L65 HydrophobicContact CD1-CB 4.27Å; F60-L65 HydrophobicContact CE1-CB 3.99Å; F60-L65 HydrophobicContact CE1-CD1 4.03Å; F60-L65 HydrophobicContact CE2-CD1 4.27Å; F60-L65 HydrophobicContact CZ-CD1 3.87Å
66L87.1Confident80.2Confident19 Ų1975.1 Ų75.110%0.09941%0.412CS..PPolyproline II helixtrans-71.5132.6172.9-78.8166.5000110W59 K61 Q64 P70 L74 Y76 L82 Y101W59-L66 HydrophobicContact CB-CB 4.39Å; W59-L66 HydrophobicContact CB-CD1 3.87Å; W59-L66 WeakPolarHBondContact O-CB 3.44Å; W59-L66 PolarHBondContact O-N 2.97Å; K61-L66 HydrophobicContact CB-CD1 4Å; K61-L66 HydrophobicContact CB-CD2 3.81Å; K61-L66 HydrophobicContact CB-CG 3.82Å; Q64-L66 PolarHBondContact O-N 3.12Å; L66-P70 HydrophobicContact CD2-CB 4.4Å; L66-L74 HydrophobicContact CD2-CD1 4.17Å; L66-Y76 WeakPolarHBondContact CB-OH 3.01Å; L66-Y76 PolarHBondContact O-OH 3.24Å; L66-L82 HydrophobicContact CD1-CD2 3.8Å; L66-Y101 HydrophobicContact CD1-CD1 4.31Å; L66-Y101 HydrophobicContact CD1-CE1 4.1Å
67P79.9Confident80.4Confident80 Ų8072.4 Ų72.452%0.51940%0.398SS..PPolyproline II helixtrans-68.1154.6179.829.4-35.2000111A69 P70 Y76P67-A69 PolarHBondContact O-N 3.16Å; P67-P70 HydrophobicContact CG-CB 4.31Å; P67-P70 WeakPolarHBondContact O-CD 3.41Å; P67-Y76 WeakPolarHBondContact O-CE2 3.49Å; P67-Y76 PolarHBondContact O-OH 2.9Å
68Q68.9Low80Confident191 Ų19178.5 Ų78.589%0.89344%0.435SS*.SBendtrans-61.9-17.8-176.1-72-149.9-22.300115Y76Q68-Y76 WeakPolarHBondContact O-CD2 3.43Å; Q68-Y76 WeakPolarHBondContact O-CE2 3.47Å
69A70.2Confident79.2Confident87 Ų8780.6 Ų80.672%0.71944%0.444SS*.SBendtrans-125.489166.600000108.7P67 G71P67-A69 PolarHBondContact O-N 3.16Å; A69-G71 PolarHBondContact O-N 2.91Å
70P67.9Low78.6Confident28 Ų2881.5 Ų81.518%0.18245%0.454CS..  trans-83.68.9-172.924-15.9000114.4L66 P67 L74 Y76L66-P70 HydrophobicContact CD2-CB 4.4Å; P67-P70 HydrophobicContact CG-CB 4.31Å; P67-P70 WeakPolarHBondContact O-CD 3.41Å; P70-L74 HydrophobicContact CB-CB 3.86Å; P70-L74 HydrophobicContact CB-CD1 4.25Å; P70-L74 HydrophobicContact CG-CB 3.88Å; P70-L74 WeakPolarHBondContact CG-O 3.02Å; P70-Y76 HydrophobicContact CG-CD2 4.2Å; P70-Y76 HydrophobicContact CG-CE2 3.64Å
71G69.1Low78.4Confident46 Ų4679.1 Ų79.147%0.47444%0.444SS..  trans102.4-175.9172.400000114A69 R73 L74A69-G71 PolarHBondContact O-N 2.91Å; G71-R73 VanDerWaalsContact C-N 3.29Å; G71-R73 PolarHBondContact O-N 2.84Å; G71-L74 PolarHBondContact O-N 3.46Å
72D65.9Low78.3Confident127 Ų12777.9 Ų77.968%0.67944%0.439SS*.THydrogen-bonded Turntrans-66.1-27.6-171.8-82.6-51.5000115.1R75D72-R75 PolarHBondContact O-NE 3.46Å; D72-R75 IonicContact OD1-NH2 3.27Å; D72-R75 PolarHBondContact OD1-NH2 2.73Å
73R74.9Confident78.2Confident85 Ų8575.4 Ų75.432%0.32143%0.425SS..THydrogen-bonded Turntrans-90.5-11.2-175.4-62.5-174-179.4176.32114.3G71 S85 T87 S88 V97G71-R73 VanDerWaalsContact C-N 3.29Å; G71-R73 PolarHBondContact O-N 2.84Å; R73-S85 PolarHBondContact O-N 2.94Å; R73-T87 PolarHBondContact NE-O 3.47Å; R73-S88 PolarHBondContact NH2-OG 3.49Å; R73-V97 HydrophobicContact CB-CG2 4.12Å
74L82.7Confident78.5Confident9 Ų972.3 Ų72.35%0.04739%0.393CS..EExtended strand (participates in β ladder)trans-131.4114.8179.5-69.4175.6000108.4L66 P70 G71 L82 L83 L84 Y101L66-L74 HydrophobicContact CD2-CD1 4.17Å; P70-L74 HydrophobicContact CB-CB 3.86Å; P70-L74 HydrophobicContact CB-CD1 4.25Å; P70-L74 HydrophobicContact CG-CB 3.88Å; P70-L74 WeakPolarHBondContact CG-O 3.02Å; G71-L74 PolarHBondContact O-N 3.46Å; L74-L82 HydrophobicContact CB-CD1 4.43Å; L74-L83 WeakPolarHBondContact CA-O 3.41Å; L74-L84 HydrophobicContact CD2-CB 4.47Å; L74-L84 HydrophobicContact CD2-CD1 3.76Å; L74-L84 HydrophobicContact CD2-CG 3.62Å; L74-Y101 HydrophobicContact CD2-CE1 4.42Å
75R80Confident78.1Confident130 Ų13066.1 Ų66.149%0.49137%0.366SS..EExtended strand (participates in β ladder)trans-127.8125.9-173.7-62.8-178.8179.1-163.1-10.6111D72 L83D72-R75 PolarHBondContact O-NE 3.46Å; D72-R75 IonicContact OD1-NH2 3.27Å; D72-R75 PolarHBondContact OD1-NH2 2.73Å; R75-L83 HydrophobicContact CB-CB 4.45Å; R75-L83 PolarHBondContact N-O 2.97Å; R75-L83 PolarHBondContact O-N 2.03Å
76Y82.3Confident77.1Confident74 Ų7461 Ų6129%0.2934%0.34SS..EExtended strand (participates in β ladder)trans-72.8135.2167.8-61.3-64.4000110W59 L66 P67 Q68 P70 L82W59-Y76 HydrophobicContact CB-CE1 4.05Å; W59-Y76 AromaticContact CD1-CD1 3.97Å; W59-Y76 AromaticContact CD1-CE1 3.5Å; W59-Y76 VanDerWaalsContact CD1-CE1 3.5Å; W59-Y76 AromaticContact CG-CE1 3.96Å; W59-Y76 HydrophobicContact CG-CE1 3.96Å; L66-Y76 WeakPolarHBondContact CB-OH 3.01Å; L66-Y76 PolarHBondContact O-OH 3.24Å; P67-Y76 WeakPolarHBondContact O-CE2 3.49Å; P67-Y76 PolarHBondContact O-OH 2.9Å; Q68-Y76 WeakPolarHBondContact O-CD2 3.43Å; Q68-Y76 WeakPolarHBondContact O-CE2 3.47Å; P70-Y76 HydrophobicContact CG-CD2 4.2Å; P70-Y76 HydrophobicContact CG-CE2 3.64Å; Y76-L82 HydrophobicContact CD1-CD1 3.88Å; Y76-L82 HydrophobicContact CE1-CD1 3.8Å
77L79.6Confident75.9Confident67 Ų6765 Ų6535%0.35137%0.365SS..  trans-90.1163.6169.9-61.5-167.9000110.8L43 N79 G80 S81 L83L43-L77 HydrophobicContact CD1-CD1 3.55Å; L43-L77 HydrophobicContact CD1-CG 4.27Å; L43-L77 HydrophobicContact CD2-CD1 4.43Å; L77-N79 WeakPolarHBondContact CB-OD1 3.32Å; L77-N79 PolarHBondContact O-N 2.87Å; L77-G80 PolarHBondContact O-N 3.33Å; L77-S81 PolarHBondContact N-O 3.33Å; L77-L83 HydrophobicContact CD2-CB 4.33Å; L77-L83 HydrophobicContact CD2-CD2 4.47Å; L77-L83 HydrophobicContact CG-CB 4.43Å
78T71.9Confident74.5Confident161 Ų16163.6 Ų63.699%0.98836%0.357SS*.THydrogen-bonded Turntrans-63.2-20.5-177.748.10000114.3
79N71.8Confident73.5Confident98 Ų9860.3 Ų60.352%0.52436%0.363SS..THydrogen-bonded Turntrans-89.50.8174.367.7-22.6000113.6L77 S81L77-N79 WeakPolarHBondContact CB-OD1 3.32Å; L77-N79 PolarHBondContact O-N 2.87Å; N79-S81 PolarHBondContact ND2-OG 3.21Å; N79-S81 PolarHBondContact OD1-N 3.35Å; N79-S81 PolarHBondContact OD1-OG 3.46Å; N79-S81 VanDerWaalsContact OD1-OG 3.08Å
80G76Confident72.4Confident21 Ų2161.9 Ų61.922%0.21636%0.359CS..SBendtrans88.3-2.6-179.500000115.5W59 L77W59-G80 PolarHBondContact NE1-O 3.46Å; L77-G80 PolarHBondContact O-N 3.33Å
81S84.9Confident71.2Confident0 Ų066 Ų660%039%0.389CS..  trans-68.3157.5171.8-420000111.5L44 D45 L77 N79L44-S81 WeakPolarHBondContact O-CA 3.4Å; L44-S81 WeakPolarHBondContact O-CB 3.1Å; D45-S81 PolarHBondContact OD1-OG 3.11Å; L77-S81 PolarHBondContact N-O 3.33Å; N79-S81 PolarHBondContact ND2-OG 3.21Å; N79-S81 PolarHBondContact OD1-N 3.35Å; N79-S81 PolarHBondContact OD1-OG 3.46Å; N79-S81 VanDerWaalsContact OD1-OG 3.08Å
82L87.2Confident70.1Confident0 Ų071.3 Ų71.30%040%0.401CS..EExtended strand (participates in β ladder)trans-112.2117.3-179.618066.7000110.9L44 W59 L66 L74 Y76 L84 Y101L44-L82 HydrophobicContact CB-CB 4.5Å; L44-L82 PolarHBondContact N-O 2.89Å; L44-L82 PolarHBondContact O-N 2.84Å; W59-L82 HydrophobicContact CB-CD2 4.41Å; W59-L82 HydrophobicContact CD2-CB 3.78Å; W59-L82 HydrophobicContact CD2-CD2 3.95Å; W59-L82 HydrophobicContact CD2-CG 4.48Å; W59-L82 HydrophobicContact CE3-CB 4.16Å; W59-L82 HydrophobicContact CE3-CD2 3.86Å; W59-L82 HydrophobicContact CG-CB 4.26Å; W59-L82 HydrophobicContact CG-CD2 4.22Å; W59-L82 HydrophobicContact CH2-CB 4.24Å; W59-L82 HydrophobicContact CZ2-CB 3.84Å; W59-L82 HydrophobicContact CZ3-CB 4.37Å; W59-L82 HydrophobicContact CZ3-CD2 4.46Å; L66-L82 HydrophobicContact CD1-CD2 3.8Å; L74-L82 HydrophobicContact CB-CD1 4.43Å; Y76-L82 HydrophobicContact CD1-CD1 3.88Å; Y76-L82 HydrophobicContact CE1-CD1 3.8Å; L82-L84 HydrophobicContact CD2-CD1 4.01Å; L82-L84 HydrophobicContact CG-CD1 3.79Å; L82-Y101 HydrophobicContact CD2-CD1 3.83Å; L82-Y101 HydrophobicContact CD2-CE1 3.86Å
83L86.4Confident69.4Low33 Ų3369.5 Ų69.517%0.17340%0.396CS..EExtended strand (participates in β ladder)trans-94.3123.5177.9-172.772.7000111V20 P41 L43 L74 R75 L77V20-L83 HydrophobicContact CG1-CD1 4.05Å; P41-L83 HydrophobicContact CB-CD1 4.17Å; L43-L83 HydrophobicContact CB-CD1 4.19Å; L43-L83 HydrophobicContact CD1-CB 4.33Å; L43-L83 HydrophobicContact CD1-CD1 4.18Å; L74-L83 WeakPolarHBondContact CA-O 3.41Å; R75-L83 HydrophobicContact CB-CB 4.45Å; R75-L83 PolarHBondContact N-O 2.97Å; R75-L83 PolarHBondContact O-N 2.03Å; L77-L83 HydrophobicContact CD2-CB 4.33Å; L77-L83 HydrophobicContact CD2-CD2 4.47Å; L77-L83 HydrophobicContact CG-CB 4.43Å
84L86.7Confident68.4Low0 Ų065.6 Ų65.60%038%0.382CS..EExtended strand (participates in β ladder)trans-100.2119.3176.5-79.358000109.1P41 L42 L44 L74 L82 V97 Y101 V119P41-L84 WeakPolarHBondContact CA-O 3.45Å; L42-L84 HydrophobicContact CB-CB 4.27Å; L42-L84 HydrophobicContact CD2-CD2 4.23Å; L42-L84 PolarHBondContact N-O 2.86Å; L42-L84 PolarHBondContact O-N 2.8Å; L44-L84 HydrophobicContact CD1-CD1 3.96Å; L44-L84 HydrophobicContact CD1-CD2 4.17Å; L44-L84 HydrophobicContact CG-CD1 4.04Å; L44-L84 HydrophobicContact CG-CD2 4.49Å; L74-L84 HydrophobicContact CD2-CB 4.47Å; L74-L84 HydrophobicContact CD2-CD1 3.76Å; L74-L84 HydrophobicContact CD2-CG 3.62Å; L82-L84 HydrophobicContact CD2-CD1 4.01Å; L82-L84 HydrophobicContact CG-CD1 3.79Å; L84-V97 HydrophobicContact CB-CG1 3.93Å; L84-V97 HydrophobicContact CD2-CG1 3.86Å; L84-V97 HydrophobicContact CG-CG1 3.84Å; L84-Y101 HydrophobicContact CD2-CE2 4.27Å; L84-V119 HydrophobicContact CD2-CB 4.31Å; L84-V119 HydrophobicContact CD2-CG1 3.92Å; L84-V119 HydrophobicContact CD2-CG2 3.89Å
85S78.9Confident67.1Low20 Ų2072.9 Ų72.914%0.1442%0.416CS..  trans-114.5104.4-178.6-69.40000110.6R73 T87R73-S85 PolarHBondContact O-N 2.94Å; S85-T87 PolarHBondContact O-N 2.73Å; S85-T87 VanDerWaalsContact O-N 3.11Å
86P67.4Low66.6Low6 Ų672.1 Ų72.14%0.03942%0.422CS..  trans-78.213.7-175.729.4-32.9000114.5L36 E37 L40 S88L36-P86 HydrophobicContact CD1-CB 4.44Å; L36-P86 HydrophobicContact CD1-CG 3.95Å; L36-P86 HydrophobicContact CD2-CB 3.97Å; L36-P86 HydrophobicContact CD2-CG 4.36Å; L36-P86 HydrophobicContact CG-CB 4.08Å; L36-P86 HydrophobicContact CG-CG 4.09Å; E37-P86 WeakPolarHBondContact O-CG 3.18Å; L40-P86 VanDerWaalsContact O-CD 3.31Å; L40-P86 WeakPolarHBondContact O-CD 3.47Å; L40-P86 WeakPolarHBondContact O-CG 3.35Å; P86-S88 PolarHBondContact O-N 3.44Å
87T60.7Low66.4Low101 Ų10168.6 Ų68.662%0.6241%0.408SS*.  trans-67.4123.7-175.417.50000112.7R73 S85R73-T87 PolarHBondContact NE-O 3.47Å; S85-T87 PolarHBondContact O-N 2.73Å; S85-T87 VanDerWaalsContact O-N 3.11Å
88S50.3Low66.6Low51 Ų5169 Ų6936%0.35741%0.408SS..  trans-137127.5164.5-1730000107.9R73 P86 D90R73-S88 PolarHBondContact NH2-OG 3.49Å; P86-S88 PolarHBondContact O-N 3.44Å; S88-D90 PolarHBondContact OG-N 2.83Å; S88-D90 VanDerWaalsContact OG-N 3.17Å; S88-D90 PolarHBondContact OG-O 3.32Å
89A49.5Very low67.3Low123 Ų12362.1 Ų62.1100%1.01737%0.369SS*.SBendtrans-85.74.7166.800000111.9
90D45.3Very low68.1Low120 Ų12058.9 Ų58.964%0.64235%0.354SS*.SBendtrans-123.9153.2-178.3-154.5-11.6000111.8S88 Q92S88-D90 PolarHBondContact OG-N 2.83Å; S88-D90 VanDerWaalsContact OG-N 3.17Å; S88-D90 PolarHBondContact OG-O 3.32Å; D90-Q92 VanDerWaalsContact C-N 3.26Å; D90-Q92 PolarHBondContact O-N 3.44Å
91S44.6Very low68.8Low115 Ų11557.9 Ų57.980%0.80434%0.343SS*.SBendtrans-74.916.9-15654.90000117.1
92Q45.5Very low68.9Low156 Ų15658.7 Ų58.773%0.72935%0.349SS*.SBendtrans-115.5142.6178.9-72.5-174.1-24.100112.7D90D90-Q92 VanDerWaalsContact C-N 3.26Å; D90-Q92 PolarHBondContact O-N 3.44Å
93P50.6Low69Low89 Ų8958.7 Ų58.758%0.57835%0.349SS*.  trans-64143.3178.326.9-34.3000111.5Q95P93-Q95 VanDerWaalsContact C-N 3.29Å; P93-Q95 PolarHBondContact O-N 3.25Å
94P54.4Low69Low4 Ų458.3 Ų58.33%0.02635%0.348CS..  trans-75.769.5-175.132.7-39.1000113.6L38 N96 V97 L121L38-P94 HydrophobicContact CD2-CG 4.44Å; P94-N96 PolarHBondContact O-N 2.81Å; P94-V97 HydrophobicContact CB-CG2 4.26Å; P94-V97 PolarHBondContact O-N 3.36Å; P94-V97 VanDerWaalsContact O-N 3.09Å; P94-L121 HydrophobicContact CG-CD1 3.77Å; P94-L121 HydrophobicContact CG-CD2 3.84Å; P94-L121 HydrophobicContact CG-CG 4.48Å
95Q55.2Low68.7Low162 Ų16258.6 Ų58.676%0.75735%0.35SS*.THydrogen-bonded Turntrans-51.6-21.7179.8-70-175.4-17.300115.1P93P93-Q95 VanDerWaalsContact C-N 3.29Å; P93-Q95 PolarHBondContact O-N 3.25Å
96N70.1Confident68.7Low114 Ų11459.7 Ų59.761%0.6136%0.361SS*.THydrogen-bonded Turntrans-86.7-2.4-177.3-153.77.3000114.6K61 P94K61-N96 PolarHBondContact NZ-O 2.89Å; P94-N96 PolarHBondContact O-N 2.81Å
97V78.1Confident69Low0 Ų060.7 Ų60.70%037%0.367CS..THydrogen-bonded Turntrans-106.1-24-179.9-165.80000112.8L36 R73 L84 P94 Y101L36-V97 HydrophobicContact CD2-CB 4.16Å; L36-V97 HydrophobicContact CD2-CG1 3.41Å; L36-V97 VanDerWaalsContact CD2-CG1 3.41Å; R73-V97 HydrophobicContact CB-CG2 4.12Å; L84-V97 HydrophobicContact CB-CG1 3.93Å; L84-V97 HydrophobicContact CD2-CG1 3.86Å; L84-V97 HydrophobicContact CG-CG1 3.84Å; P94-V97 HydrophobicContact CB-CG2 4.26Å; P94-V97 PolarHBondContact O-N 3.36Å; P94-V97 VanDerWaalsContact O-N 3.09Å; V97-Y101 WeakPolarHBondContact O-CE2 3.36Å; V97-Y101 PolarHBondContact O-OH 2.56Å
98E83.4Confident69.4Low76 Ų7661.1 Ų61.136%0.35538%0.381SS..  trans-69.3147.7168.8-63-174.3121.100110.9K61 V119 L121K61-E98 WeakPolarHBondContact CE-O 3.49Å; K61-E98 PolarHBondContact NZ-O 3.15Å; E98-V119 WeakPolarHBondContact CA-O 3.3Å; E98-L121 HydrophobicContact CG-CB 3.87Å; E98-L121 WeakPolarHBondContact OE1-CB 3.17Å; E98-L121 PolarHBondContact OE1-N 2.89Å
99G87.3Confident70.4Confident15 Ų1561.6 Ų61.616%0.15538%0.379CS..EExtended strand (participates in β ladder)trans150.4177.4178.900000113Y101 V119G99-Y101 WeakPolarHBondContact O-CD2 3.48Å; G99-V119 PolarHBondContact N-O 2.91Å; G99-V119 PolarHBondContact O-N 3.07Å
100S88.6Confident71.7Confident30 Ų3056.4 Ų56.421%0.2134%0.338CS..EExtended strand (participates in β ladder)trans-94.3116.7178.658.40000110.7K61 D62 N118K61-S100 CarbonylContact C-O 3.53Å; K61-S100 WeakPolarHBondContact CA-O 3.32Å; D62-S100 WeakPolarHBondContact CA-OG 3.21Å; D62-S100 PolarHBondContact N-O 2.86Å; D62-S100 PolarHBondContact OD1-N 3.47Å; D62-S100 PolarHBondContact OD1-OG 3.36Å; S100-N118 WeakPolarHBondContact CB-OD1 3.09Å
101Y89.4Confident73.5Confident0 Ų051.6 Ų51.60%031%0.314CS..EExtended strand (participates in β ladder)trans-107.4136.4-175.3-70.9-96.4000111.4L44 F60 K61 L66 L74 L82 L84 V97 G99 T116 V117 V119L44-Y101 HydrophobicContact CD1-CD1 4.01Å; L44-Y101 HydrophobicContact CD1-CD2 4.3Å; L44-Y101 HydrophobicContact CD1-CG 3.76Å; F60-Y101 WeakPolarHBondContact O-CA 3.47Å; K61-Y101 HydrophobicContact CB-CD1 4.44Å; K61-Y101 HydrophobicContact CB-CE1 4.18Å; K61-Y101 HydrophobicContact CD-CE1 4.28Å; K61-Y101 HydrophobicContact CG-CD1 4.49Å; K61-Y101 HydrophobicContact CG-CE1 4.01Å; K61-Y101 HydrophobicContact CG-CE2 4.27Å; L66-Y101 HydrophobicContact CD1-CD1 4.31Å; L66-Y101 HydrophobicContact CD1-CE1 4.1Å; L74-Y101 HydrophobicContact CD2-CE1 4.42Å; L82-Y101 HydrophobicContact CD2-CD1 3.83Å; L82-Y101 HydrophobicContact CD2-CE1 3.86Å; L84-Y101 HydrophobicContact CD2-CE2 4.27Å; V97-Y101 WeakPolarHBondContact O-CE2 3.36Å; V97-Y101 PolarHBondContact O-OH 2.56Å; G99-Y101 WeakPolarHBondContact O-CD2 3.48Å; Y101-T116 CarbonylContact O-C 3.41Å; Y101-T116 WeakPolarHBondContact O-CA 3.33Å; Y101-V117 PolarHBondContact N-O 2.8Å; Y101-V117 PolarHBondContact O-N 2.91Å; Y101-V119 HydrophobicContact CD2-CB 4.02Å; Y101-V119 HydrophobicContact CD2-CG2 3.59Å; Y101-V119 HydrophobicContact CE2-CB 3.96Å; Y101-V119 HydrophobicContact CE2-CG2 3.92Å; Y101-V119 HydrophobicContact CG-CG2 4.46Å
102S88.4Confident75.4Confident17 Ų1746.3 Ų46.312%0.11928%0.277CS..EExtended strand (participates in β ladder)trans-145.1162.7168.661.40000110.3F60 S114F60-S102 PolarHBondContact N-O 3.37Å; F60-S102 PolarHBondContact O-N 3.38Å; S102-S114 WeakPolarHBondContact CA-OG 3.19Å
103C87.4Confident77.3Confident0 Ų040 Ų400%025%0.249CC..EExtended strand (participates in β ladder)trans-130.7150175.868.30000111.2C46 V57 T58 W59 S114C46-C103 HydrophobicContact CB-CB 3.81Å; C46-C103 WeakPolarHBondContact CB-SG 3.28Å; C46-C103 WeakPolarHBondContact SG-CB 3.35Å; C46-C103 CovalentContact SG-SG 2.03Å; C46-C103 PolarHBondContact SG-SG 2.85Å; V57-C103 HydrophobicContact CG1-CB 4.18Å; T58-C103 CarbonylContact O-C 3.55Å; T58-C103 VanDerWaalsContact O-CA 3.28Å; T58-C103 WeakPolarHBondContact O-CA 3.29Å; W59-C103 HydrophobicContact CD2-CB 3.83Å; W59-C103 HydrophobicContact CE3-CB 3.87Å; W59-C103 HydrophobicContact CG-CB 4.39Å; W59-C103 HydrophobicContact CH2-CB 4.19Å; W59-C103 HydrophobicContact CZ2-CB 4.17Å; W59-C103 HydrophobicContact CZ3-CB 4.06Å; C103-S114 PolarHBondContact N-OG 3.35Å; C103-S114 PolarHBondContact O-N 3.24Å; C103-S114 PolarHBondContact O-OG 2.87Å; C103-S114 VanDerWaalsContact SG-CB 3.59Å
104V86.8Confident78.9Confident26 Ų2636.1 Ų36.116%0.15822%0.224CC..EExtended strand (participates in β ladder)trans-120.3123.7172.91790000108.3V57 T58 F60 A111 L112 T113V57-V104 WeakPolarHBondContact CA-O 3.49Å; T58-V104 PolarHBondContact N-O 3.16Å; T58-V104 PolarHBondContact O-N 2.91Å; T58-V104 PolarHBondContact OG1-O 3.43Å; T58-V104 VanDerWaalsContact OG1-O 3.14Å; F60-V104 HydrophobicContact CD2-CG2 4.12Å; F60-V104 HydrophobicContact CE2-CB 4.04Å; F60-V104 HydrophobicContact CE2-CG2 3.62Å; F60-V104 HydrophobicContact CZ-CG2 4.45Å; V104-A111 HydrophobicContact CG1-CB 3.93Å; V104-L112 CarbonylContact C-O 3.37Å; V104-L112 VanDerWaalsContact CA-O 3.27Å; V104-L112 WeakPolarHBondContact CA-O 3.4Å; V104-T113 HydrophobicContact CG2-CG2 3.95Å
105S81.8Confident80.2Confident6 Ų636.6 Ų36.64%0.04223%0.225CC..EExtended strand (participates in β ladder)trans-101.9123.1170.3-178.60000109A111 L112S105-A111 CarbonylContact O-C 3.59Å; S105-A111 WeakPolarHBondContact O-CA 3.33Å; S105-L112 PolarHBondContact N-O 2.93Å; S105-L112 PolarHBondContact O-N 3.09Å
106A78Confident81.5Confident43 Ų4332 Ų3236%0.35521%0.208SC..EExtended strand (participates in β ladder)trans-109.3132.3177.700000111.6N56 A111N56-A106 PolarHBondContact O-N 2.85Å; A106-A111 HydrophobicContact CB-CB 4.24Å
107S73.3Confident82.2Confident26 Ų2626.5 Ų26.518%0.18218%0.179CC..EExtended strand (participates in β ladder)trans-122.4176.5171.382.70000110.8I109 G110S107-I109 PolarHBondContact O-N 2.8Å; S107-I109 VanDerWaalsContact O-N 3.13Å; S107-I109 PolarHBondContact OG-N 2.65Å; S107-G110 PolarHBondContact N-O 2.79Å; S107-G110 PolarHBondContact O-N 2.78Å; S107-G110 PolarHBondContact OG-O 3.29Å
108A70.6Confident82.6Confident110 Ų11030 Ų3091%0.90920%0.198SC*.THydrogen-bonded Turntrans-62.7-16.5176.900000114.3
109I70.6Confident82.8Confident62 Ų6226.5 Ų26.532%0.31818%0.181SC..THydrogen-bonded Turntrans-90.1-28.3-179.8-61.5173.8000111.3D52 S107 G378 Y379 R396D52-I109 WeakPolarHBondContact OD2-CD1 3.38Å; S107-I109 PolarHBondContact O-N 2.8Å; S107-I109 VanDerWaalsContact O-N 3.13Å; S107-I109 PolarHBondContact OG-N 2.65Å; I109-G378 WeakPolarHBondContact O-CA 3.31Å; I109-Y379 HydrophobicContact CB-CE2 3.87Å; I109-Y379 HydrophobicContact CG2-CD2 4.29Å; I109-Y379 HydrophobicContact CG2-CE2 3.75Å; I109-R396 HydrophobicContact CG2-CG 4.44Å
110G76.7Confident82.7Confident14 Ų1428.7 Ų28.714%0.14419%0.189CC..EExtended strand (participates in β ladder)trans157.3-170.5-174.400000111.9S107 N349S107-G110 PolarHBondContact N-O 2.79Å; S107-G110 PolarHBondContact O-N 2.78Å; S107-G110 PolarHBondContact OG-O 3.29Å; G110-N349 WeakPolarHBondContact CA-OD1 3.23Å
111A82.9Confident82.5Confident18 Ų1828 Ų2815%0.14918%0.183CC..EExtended strand (participates in β ladder)trans-117.9144.8179.300000111.9V104 S105 A106 N349 G350V104-A111 HydrophobicContact CG1-CB 3.93Å; S105-A111 CarbonylContact O-C 3.59Å; S105-A111 WeakPolarHBondContact O-CA 3.33Å; A106-A111 HydrophobicContact CB-CB 4.24Å; A111-N349 CarbonylContact O-C 3.57Å; A111-N349 VanDerWaalsContact O-C 3.25Å; A111-N349 WeakPolarHBondContact O-CA 3.45Å; A111-G350 PolarHBondContact O-N 3.46Å
112L84.1Confident82.2Confident5 Ų528.1 Ų28.13%0.02618%0.184CC..EExtended strand (participates in β ladder)trans-112.9135.8171.3-66.3174.8000108.7L48 V104 S105 Y379 Q381 T394L48-L112 HydrophobicContact CB-CB 4.01Å; L48-L112 HydrophobicContact CB-CD1 4.12Å; L48-L112 HydrophobicContact CD1-CB 3.88Å; L48-L112 WeakPolarHBondContact CD1-O 3.41Å; L48-L112 WeakPolarHBondContact O-CD1 3.17Å; V104-L112 CarbonylContact C-O 3.37Å; V104-L112 VanDerWaalsContact CA-O 3.27Å; V104-L112 WeakPolarHBondContact CA-O 3.4Å; S105-L112 PolarHBondContact N-O 2.93Å; S105-L112 PolarHBondContact O-N 3.09Å; L112-Y379 VanDerWaalsContact CD2-CB 3.46Å; L112-Y379 HydrophobicContact CD2-CD1 3.92Å; L112-Y379 HydrophobicContact CD2-CD2 4.17Å; L112-Y379 HydrophobicContact CD2-CG 3.6Å; L112-Y379 HydrophobicContact CG-CD1 4.44Å; L112-Y379 HydrophobicContact CG-CD2 4.18Å; L112-Y379 HydrophobicContact CG-CG 4.08Å; L112-Q381 HydrophobicContact CD2-CG 4.03Å; L112-T394 HydrophobicContact CD2-CG2 3.45Å; L112-T394 VanDerWaalsContact CD2-CG2 3.45Å
113T85.8Confident82Confident24 Ų2429.9 Ų29.915%0.14720%0.196CC..EExtended strand (participates in β ladder)trans-105.1139172.6-52.90000109.4V104 G350 Q381V104-T113 HydrophobicContact CG2-CG2 3.95Å; T113-G350 WeakPolarHBondContact OG1-CA 3.32Å; T113-Q381 PolarHBondContact O-NE2 3.41Å
114S84.9Confident81.7Confident6 Ų630.4 Ų30.44%0.04220%0.199CC..PPolyproline II helixtrans-71.4169.8173.674.20000112.5S102 C103S102-S114 WeakPolarHBondContact CA-OG 3.19Å; C103-S114 PolarHBondContact N-OG 3.35Å; C103-S114 PolarHBondContact O-N 3.24Å; C103-S114 PolarHBondContact O-OG 2.87Å; C103-S114 VanDerWaalsContact SG-CB 3.59Å
115R80.8Confident81.4Confident14 Ų1431.4 Ų31.45%0.05321%0.207CC..PPolyproline II helixtrans-60.6151.2156.676.9176.3-160.2-76.8-11109.9E24 P31E24-R115 PolarHBondContact O-NH1 3.18Å; P31-R115 PolarHBondContact O-NE 2.88Å
116T82.8Confident81.4Confident65 Ų6535.6 Ų35.640%0.39924%0.237SC..PPolyproline II helixtrans-80.1140.2167.8-530000109.5Y101Y101-T116 CarbonylContact O-C 3.41Å; Y101-T116 WeakPolarHBondContact O-CA 3.33Å
117V84.5Confident81.6Confident0 Ų034.9 Ų34.90%023%0.226CC..EExtended strand (participates in β ladder)trans-129.1128.8173.569.60000110.5L25 V34 Y101L25-V117 HydrophobicContact CD1-CG1 4.09Å; L25-V117 HydrophobicContact CD2-CG1 3.84Å; L25-V117 HydrophobicContact CG-CG1 4.01Å; V34-V117 HydrophobicContact CB-CG2 4.33Å; V34-V117 HydrophobicContact CG2-CG2 3.54Å; Y101-V117 PolarHBondContact N-O 2.8Å; Y101-V117 PolarHBondContact O-N 2.91Å
118N87Confident82.1Confident74 Ų7437.2 Ų37.240%0.39624%0.242SC..EExtended strand (participates in β ladder)trans-86.1115.2178.8-65.8-15000109.8S32 H33 V34 S100S32-N118 PolarHBondContact O-N 2.92Å; H33-N118 CarbonylContact C-O 3.58Å; H33-N118 WeakPolarHBondContact CA-O 3.48Å; H33-N118 HydrophobicContact CB-CB 4.06Å; H33-N118 VanDerWaalsContact CB-O 3.31Å; H33-N118 WeakPolarHBondContact CB-O 3.34Å; V34-N118 PolarHBondContact N-O 2.88Å; S100-N118 WeakPolarHBondContact CB-OD1 3.09Å
119V87.7Confident82.8Confident1 Ų135.9 Ų35.91%0.00622%0.217CC..EExtended strand (participates in β ladder)trans-85.3117.3171.91800000108.3V34 L36 L42 L44 L84 E98 G99 Y101V34-V119 WeakPolarHBondContact O-CA 3.33Å; L36-V119 HydrophobicContact CB-CG1 3.9Å; L36-V119 HydrophobicContact CD2-CG1 4.27Å; L42-V119 HydrophobicContact CD2-CG1 4.17Å; L42-V119 HydrophobicContact CD2-CG2 4.27Å; L44-V119 HydrophobicContact CD1-CG2 4.18Å; L84-V119 HydrophobicContact CD2-CB 4.31Å; L84-V119 HydrophobicContact CD2-CG1 3.92Å; L84-V119 HydrophobicContact CD2-CG2 3.89Å; E98-V119 WeakPolarHBondContact CA-O 3.3Å; G99-V119 PolarHBondContact N-O 2.91Å; G99-V119 PolarHBondContact O-N 3.07Å; Y101-V119 HydrophobicContact CD2-CB 4.02Å; Y101-V119 HydrophobicContact CD2-CG2 3.59Å; Y101-V119 HydrophobicContact CE2-CB 3.96Å; Y101-V119 HydrophobicContact CE2-CG2 3.92Å; Y101-V119 HydrophobicContact CG-CG2 4.46Å
120L85.7Confident83.7Confident61 Ų6138.6 Ų38.632%0.31923%0.229SC..EExtended strand (participates in β ladder)trans-108.7139.4176.9-56.6178.3000108.8H33 V34 I35 L36 V151H33-L120 HydrophobicContact CB-CD1 4Å; H33-L120 HydrophobicContact CB-CG 4.3Å; V34-L120 PolarHBondContact O-N 3.05Å; I35-L120 CarbonylContact C-O 3.57Å; I35-L120 WeakPolarHBondContact CA-O 3.12Å; L36-L120 PolarHBondContact N-O 2.89Å; L120-V151 HydrophobicContact CB-CG1 4.1Å; L120-V151 HydrophobicContact CD1-CG1 4.13Å
121L83.9Confident84.4Confident15 Ų1538.3 Ų38.38%0.07922%0.224CC..EExtended strand (participates in β ladder)trans-77.2139.1174.1-162.476.2000110.1L36 L38 P94 E98 S123L36-L121 HydrophobicContact CB-CD1 4.36Å; L36-L121 HydrophobicContact CD2-CD1 4.18Å; L36-L121 HydrophobicContact CG-CD1 4.23Å; L38-L121 HydrophobicContact CD2-CD1 4.21Å; L38-L121 HydrophobicContact CD2-CD2 4.22Å; L38-L121 HydrophobicContact CD2-CG 4.5Å; P94-L121 HydrophobicContact CG-CD1 3.77Å; P94-L121 HydrophobicContact CG-CD2 3.84Å; P94-L121 HydrophobicContact CG-CG 4.48Å; E98-L121 HydrophobicContact CG-CB 3.87Å; E98-L121 WeakPolarHBondContact OE1-CB 3.17Å; E98-L121 PolarHBondContact OE1-N 2.89Å; L121-S123 PolarHBondContact O-N 2.84Å
122A82.8Confident84.8Confident3 Ų340.8 Ų40.83%0.02524%0.24CC..  trans-58.1123.2170.200000109.5I35 L36 E37 V151 A200I35-A122 HydrophobicContact CG2-CB 3.78Å; L36-A122 WeakPolarHBondContact O-CB 3.48Å; L36-A122 PolarHBondContact O-N 2.89Å; E37-A122 HydrophobicContact CG-CB 4.41Å; A122-V151 CarbonylContact C-O 3.59Å; A122-V151 VanDerWaalsContact CA-O 3.28Å; A122-V151 WeakPolarHBondContact CA-O 3.28Å; A122-A200 HydrophobicContact CB-CB 3.72Å; A122-A200 WeakPolarHBondContact O-CB 3.45Å
123S83.1Confident85.2Confident54 Ų5445.3 Ų45.338%0.37827%0.27SS..EExtended strand (participates in β ladder)trans-142.5151.6-176.657.40000112.3L121 G150 V151 N198L121-S123 PolarHBondContact O-N 2.84Å; S123-G150 CarbonylContact O-C 3.48Å; S123-G150 VanDerWaalsContact O-CA 3.23Å; S123-G150 WeakPolarHBondContact O-CA 3.44Å; S123-V151 PolarHBondContact N-O 2.74Å; S123-V151 PolarHBondContact O-N 2.76Å; S123-N198 PolarHBondContact O-ND2 2.87Å
124L81.1Confident85.3Confident11 Ų1146.2 Ų46.26%0.05827%0.273CS..EExtended strand (participates in β ladder)trans-142.9122.1174.7-170.473.5000108.5I148 P154 A200 K201 V204L124-I148 HydrophobicContact CD1-CD1 4.01Å; L124-I148 HydrophobicContact CD1-CG1 4.27Å; L124-I148 HydrophobicContact CD2-CD1 4.32Å; L124-I148 HydrophobicContact CG-CD1 3.98Å; L124-P154 HydrophobicContact CD1-CB 3.61Å; L124-P154 HydrophobicContact CD1-CG 3.94Å; L124-A200 HydrophobicContact CB-CB 4.46Å; L124-K201 HydrophobicContact CB-CB 4.39Å; L124-K201 HydrophobicContact CB-CD 4.36Å; L124-K201 HydrophobicContact CD2-CB 4.02Å; L124-K201 PolarHBondContact O-NZ 2.83Å; L124-V204 HydrophobicContact CD2-CB 4.07Å; L124-V204 HydrophobicContact CD2-CG2 3.66Å
125S80.5Confident85.3Confident47 Ų4750.5 Ų50.533%0.32930%0.298SS..EExtended strand (participates in β ladder)trans-77.4-175-17371.20000112.7E149S125-E149 WeakPolarHBondContact CB-O 3.31Å; S125-E149 PolarHBondContact N-O 2.88Å; S125-E149 PolarHBondContact OG-N 2.97Å; S125-E149 VanDerWaalsContact OG-N 3.12Å; S125-E149 PolarHBondContact OG-O 2.79Å
126S82.4Confident85.4Confident95 Ų9550.6 Ų50.666%0.66430%0.3SS*.EExtended strand (participates in β ladder)trans-71.3159.4154.150.80000110.2S128S126-S128 PolarHBondContact O-N 3.17Å
127F83.6Confident85.2Confident27 Ų2749.6 Ų49.612%0.11830%0.295CS..EExtended strand (participates in β ladder)trans-55.9133168-65.7-77000110.2E130 C146 Q147 I148 A196 V204 S205F127-E130 HydrophobicContact CB-CG 3.56Å; F127-E130 HydrophobicContact CD2-CG 4.3Å; F127-E130 HydrophobicContact CG-CG 4.09Å; F127-C146 WeakPolarHBondContact CE1-SG 3.41Å; F127-Q147 CarbonylContact C-O 3.51Å; F127-Q147 WeakPolarHBondContact CA-O 3.15Å; F127-I148 HydrophobicContact CD1-CB 3.75Å; F127-I148 HydrophobicContact CD1-CD1 4.07Å; F127-I148 HydrophobicContact CD1-CG1 4.31Å; F127-I148 HydrophobicContact CD1-CG2 4.32Å; F127-I148 HydrophobicContact CE1-CB 4.05Å; F127-I148 HydrophobicContact CE1-CD1 3.88Å; F127-I148 HydrophobicContact CE1-CG2 4.18Å; F127-I148 HydrophobicContact CG-CD1 4.5Å; F127-I148 HydrophobicContact CZ-CD1 4.19Å; F127-A196 HydrophobicContact CE1-CB 4.17Å; F127-A196 HydrophobicContact CZ-CB 4.43Å; F127-V204 HydrophobicContact CE2-CG1 3.75Å; F127-V204 HydrophobicContact CZ-CG1 4.13Å; F127-S205 VanDerWaalsContact CE2-C 3.48Å
128S83.6Confident85Confident76 Ų7652.6 Ų52.653%0.53131%0.313SS..EExtended strand (participates in β ladder)trans-84-32.8169.4490000110.6S126 Q147S126-S128 PolarHBondContact O-N 3.17Å; S128-Q147 PolarHBondContact N-O 2.89Å; S128-Q147 WeakPolarHBondContact OG-CB 3.38Å; S128-Q147 PolarHBondContact OG-O 2.84Å
129E85.2Confident84.4Confident82 Ų8251.6 Ų51.638%0.38332%0.32SS..EExtended strand (participates in β ladder)trans-135.7120.1171.5-167.6169.2-163.700109.6C146 Q147E129-C146 WeakPolarHBondContact O-CA 3.42Å; E129-Q147 HydrophobicContact CB-CB 3.85Å; E129-Q147 HydrophobicContact CB-CG 4.02Å; E129-Q147 PolarHBondContact N-O 2.92Å; E129-Q147 PolarHBondContact O-N 3.06Å; E129-Q147 PolarHBondContact OE2-NE2 3Å
130E89.4Confident83.7Confident119 Ų11952.5 Ų52.556%0.55633%0.329SS*.PPolyproline II helixtrans-94.6149.3176.8-68-161.7123.800111.1F127 S132 S206F127-E130 HydrophobicContact CB-CG 3.56Å; F127-E130 HydrophobicContact CD2-CG 4.3Å; F127-E130 HydrophobicContact CG-CG 4.09Å; E130-S132 PolarHBondContact O-N 3.26Å; E130-S206 VanDerWaalsContact OE1-CB 3.31Å; E130-S206 WeakPolarHBondContact OE1-CB 3.48Å; E130-S206 PolarHBondContact OE1-OG 3.43Å
131P91.7Very high83.3Confident8 Ų851.7 Ų51.75%0.05233%0.329CS..PPolyproline II helixtrans-62.3131.7177.827.7-35.8000111.5F144 E145 W158 A208P131-F144 HydrophobicContact CB-CB 4.49Å; P131-F144 HydrophobicContact CB-CD1 4.3Å; P131-E145 WeakPolarHBondContact CA-O 3.27Å; P131-E145 WeakPolarHBondContact CB-O 3.43Å; P131-W158 HydrophobicContact CB-CH2 3.91Å; P131-W158 HydrophobicContact CB-CZ3 4.23Å; P131-W158 HydrophobicContact CG-CH2 4.42Å; P131-A208 HydrophobicContact CB-CB 3.65Å; P131-A208 HydrophobicContact CG-CB 4.08Å; P131-A208 WeakPolarHBondContact O-CB 3.18Å
132S90.8Very high83.3Confident70 Ų7051.1 Ų51.149%0.4933%0.327SS..PPolyproline II helixtrans-93.5142.7177.950.20000111.7E130 F144E130-S132 PolarHBondContact O-N 3.26Å; S132-F144 WeakPolarHBondContact O-CD1 3Å; S132-F144 WeakPolarHBondContact O-CE1 3.48Å
133P91.4Very high83.5Confident99 Ų9954 Ų5464%0.64334%0.337SS*.PPolyproline II helixtrans-60.4138.5173.8-23.433.9000112.1R209P133-R209 WeakPolarHBondContact CA-O 3.35Å
134Q89.1Confident83.8Confident44 Ų4451.4 Ų51.421%0.20632%0.319CS..EExtended strand (participates in β ladder)trans-124141.9-177.1-64.2-161.1-17.800112.6V136 R143 F144 R209 L210 I211Q134-V136 HydrophobicContact CB-CG2 4.39Å; Q134-R143 PolarHBondContact NE2-O 2.97Å; Q134-R143 PolarHBondContact OE1-O 2.85Å; Q134-F144 HydrophobicContact CB-CE1 4.36Å; Q134-F144 HydrophobicContact CB-CZ 4.47Å; Q134-F144 HydrophobicContact CG-CD1 4.5Å; Q134-F144 HydrophobicContact CG-CE1 4.08Å; Q134-R209 PolarHBondContact N-O 3.06Å; Q134-L210 HydrophobicContact CB-CD1 4.07Å; Q134-L210 CarbonylContact O-C 3.52Å; Q134-I211 PolarHBondContact O-N 2.88Å
135T84.4Confident84.1Confident95 Ų9552.3 Ų52.358%0.58332%0.323SS*.EExtended strand (participates in β ladder)trans-113.4119.6169.7-57.30000108.8I211 T213T135-I211 WeakPolarHBondContact CA-O 3.43Å; T135-I211 HydrophobicContact CG2-CB 4.42Å; T135-I211 HydrophobicContact CG2-CG2 4.32Å; T135-T213 HydrophobicContact CG2-CG2 3.7Å
136V83.2Confident84.5Confident16 Ų1650 Ų5010%0.09731%0.307CS..EExtended strand (participates in β ladder)trans-129.3143.3-174-178.90000109.6Q134 A142 V184 L210 I211 V212 T213Q134-V136 HydrophobicContact CB-CG2 4.39Å; V136-A142 HydrophobicContact CG2-CB 4Å; V136-V184 HydrophobicContact CG1-CB 4.21Å; V136-V184 HydrophobicContact CG1-CG1 4.43Å; V136-V184 HydrophobicContact CG1-CG2 4.14Å; V136-L210 HydrophobicContact CB-CD1 4.31Å; V136-L210 HydrophobicContact CG2-CD1 3.9Å; V136-I211 PolarHBondContact N-O 3.14Å; V136-V212 WeakPolarHBondContact O-CA 3.23Å; V136-T213 PolarHBondContact O-N 2.97Å; V136-T213 PolarHBondContact O-OG1 2.89Å
137T78.4Confident84.7Confident45 Ų4549.2 Ų49.228%0.27629%0.292SS..EExtended strand (participates in β ladder)trans-80.8149.1173.946.70000111.7G139 G140 T213 I217T137-G139 PolarHBondContact O-N 3.19Å; T137-G140 WeakPolarHBondContact O-CA 3.43Å; T137-G140 PolarHBondContact O-N 3.15Å; T137-T213 CarbonylContact C-O 3.59Å; T137-T213 VanDerWaalsContact CA-O 3.24Å; T137-T213 WeakPolarHBondContact CA-O 3.47Å; T137-T213 WeakPolarHBondContact CG2-OG1 3.48Å; T137-I217 HydrophobicContact CG2-CD1 4.06Å
138T80.9Confident84.9Confident62 Ų6248.6 Ų48.638%0.3829%0.29SS..THydrogen-bonded Turntrans-53.3129175.347.50000112.1G140 V184 V212 T213 T214T138-G140 VanDerWaalsContact C-N 3.32Å; T138-V184 CarbonylContact C-O 3.58Å; T138-V184 WeakPolarHBondContact CA-O 3.33Å; T138-V212 HydrophobicContact CG2-CG1 3.7Å; T138-T213 PolarHBondContact N-O 3.4Å; T138-T214 HydrophobicContact CG2-CG2 3.94Å
139G73.1Confident84.9Confident54 Ų5451.8 Ų51.856%0.55730%0.297SS*.THydrogen-bonded Turntrans87.5-8.6-172.900000114.7T137 V184T137-G139 PolarHBondContact O-N 3.19Å; G139-V184 PolarHBondContact N-O 3.45Å
140G73.9Confident84.8Confident19 Ų1948.8 Ų48.820%0.19629%0.288CS..  trans-72.9-156.6176.500000114.1T137 T138 K183 V184T137-G140 WeakPolarHBondContact O-CA 3.43Å; T137-G140 PolarHBondContact O-N 3.15Å; T138-G140 VanDerWaalsContact C-N 3.32Å; G140-K183 WeakPolarHBondContact O-CA 3.4Å; G140-K183 PolarHBondContact O-N 2.97Å; G140-V184 PolarHBondContact O-N 3.22Å
141S77.8Confident84.4Confident45 Ų4545.1 Ų45.132%0.31527%0.274SS..EExtended strand (participates in β ladder)trans-144137.6175.6-56.80000111.1I181 K251S141-I181 CarbonylContact C-O 3.58Å; S141-I181 WeakPolarHBondContact CA-O 3.11Å; S141-I181 WeakPolarHBondContact CB-O 3.43Å; S141-K251 PolarHBondContact OG-NZ 2.84Å
142A83.5Confident83.8Confident3 Ų347 Ų473%0.02529%0.286CS..EExtended strand (participates in β ladder)trans-102.7153173.400000110V136 Q180 I181 V184 L210V136-A142 HydrophobicContact CG2-CB 4Å; A142-Q180 WeakPolarHBondContact O-CA 3.43Å; A142-I181 HydrophobicContact CB-CB 4.18Å; A142-I181 HydrophobicContact CB-CD1 4.27Å; A142-I181 HydrophobicContact CB-CG1 4.44Å; A142-I181 PolarHBondContact N-O 2.77Å; A142-I181 PolarHBondContact O-N 2.78Å; A142-V184 HydrophobicContact CB-CG2 4.24Å; A142-L210 HydrophobicContact CB-CD1 3.74Å; A142-L210 HydrophobicContact CB-CD2 4.25Å
143R86Confident83.2Confident62 Ų6249.6 Ų49.623%0.23430%0.299CS..EExtended strand (participates in β ladder)trans-142.697.6177.7178.7-176.9176.6-78.71109.1Q134 E145 V178 L179 Q180 E243Q134-R143 PolarHBondContact NE2-O 2.97Å; Q134-R143 PolarHBondContact OE1-O 2.85Å; R143-E145 IonicContact CZ-OE2 3.16Å; R143-E145 IonicContact NH1-OE2 2.69Å; R143-E145 PolarHBondContact NH1-OE2 2.89Å; R143-E145 IonicContact NH2-OE1 3.58Å; R143-E145 IonicContact NH2-OE2 2.78Å; R143-E145 PolarHBondContact NH2-OE2 2.81Å; R143-V178 HydrophobicContact CG-CG1 3.73Å; R143-L179 CarbonylContact C-O 3.58Å; R143-L179 WeakPolarHBondContact CA-O 3.34Å; R143-Q180 HydrophobicContact CG-CG 4.29Å; R143-E243 IonicContact CZ-OE1 2.65Å; R143-E243 IonicContact CZ-OE2 3.79Å; R143-E243 IonicContact NE-OE1 3.35Å; R143-E243 PolarHBondContact NE-OE1 3.18Å; R143-E243 IonicContact NE-OE2 3.13Å; R143-E243 IonicContact NH2-OE1 2.71Å; R143-E243 IonicContact NH2-OE2 2.72Å; R143-E243 PolarHBondContact NH2-OE2 3.36Å
144F89.1Confident82.8Confident0 Ų045.6 Ų45.60%027%0.273CS..EExtended strand (participates in β ladder)trans-85.5139.8169.7-63.1-76.3000109.6P131 S132 Q134 W158 V178 L179 I181 Y192 A208 L210P131-F144 HydrophobicContact CB-CB 4.49Å; P131-F144 HydrophobicContact CB-CD1 4.3Å; S132-F144 WeakPolarHBondContact O-CD1 3Å; S132-F144 WeakPolarHBondContact O-CE1 3.48Å; Q134-F144 HydrophobicContact CB-CE1 4.36Å; Q134-F144 HydrophobicContact CB-CZ 4.47Å; Q134-F144 HydrophobicContact CG-CD1 4.5Å; Q134-F144 HydrophobicContact CG-CE1 4.08Å; F144-W158 HydrophobicContact CB-CH2 3.37Å; F144-W158 HydrophobicContact CB-CZ2 4.01Å; F144-W158 HydrophobicContact CB-CZ3 3.7Å; F144-W158 HydrophobicContact CG-CH2 4.42Å; F144-W158 HydrophobicContact CG-CZ3 4.33Å; F144-V178 CarbonylContact O-C 3.57Å; F144-V178 WeakPolarHBondContact O-CA 3.44Å; F144-L179 HydrophobicContact CB-CB 4.45Å; F144-L179 HydrophobicContact CD2-CD2 4.32Å; F144-L179 PolarHBondContact N-O 2.81Å; F144-L179 PolarHBondContact O-N 3.37Å; F144-I181 HydrophobicContact CD2-CD1 4.4Å; F144-I181 HydrophobicContact CE2-CD1 4.15Å; F144-Y192 HydrophobicContact CD2-CD1 4.47Å; F144-Y192 HydrophobicContact CD2-CG 4.16Å; F144-Y192 HydrophobicContact CE2-CD1 4.3Å; F144-Y192 AromaticContact CE2-CD2 3.69Å; F144-Y192 HydrophobicContact CE2-CD2 3.69Å; F144-Y192 HydrophobicContact CE2-CE2 4.24Å; F144-Y192 AromaticContact CE2-CG 3.73Å; F144-Y192 HydrophobicContact CE2-CG 3.73Å; F144-Y192 HydrophobicContact CZ-CD2 4.02Å; F144-Y192 HydrophobicContact CZ-CG 4.3Å; F144-A208 HydrophobicContact CD1-CB 3.83Å; F144-A208 HydrophobicContact CE1-CB 3.63Å; F144-L210 HydrophobicContact CE2-CB 4.3Å; F144-L210 HydrophobicContact CZ-CB 3.9Å; F144-L210 HydrophobicContact CZ-CD1 4.26Å
145E87.9Confident82.6Confident30 Ų3049.2 Ų49.214%0.1429%0.292CS..  trans-119147.5175.8-176.5149.3-155.200108.6P131 R143 Q147 V178P131-E145 WeakPolarHBondContact CA-O 3.27Å; P131-E145 WeakPolarHBondContact CB-O 3.43Å; R143-E145 IonicContact CZ-OE2 3.16Å; R143-E145 IonicContact NH1-OE2 2.69Å; R143-E145 PolarHBondContact NH1-OE2 2.89Å; R143-E145 IonicContact NH2-OE1 3.58Å; R143-E145 IonicContact NH2-OE2 2.78Å; R143-E145 PolarHBondContact NH2-OE2 2.81Å; E145-Q147 HydrophobicContact CG-CG 4.25Å; E145-Q147 PolarHBondContact OE1-NE2 3.03Å; E145-V178 HydrophobicContact CB-CG2 4.42Å; E145-V178 HydrophobicContact CG-CG2 4.1Å
146C88.8Confident82.7Confident0 Ų046.1 Ų46.10%027%0.272CS..  trans-152.2115.7-179-177.50000107.5F127 E129 I156 W158 C194F127-C146 WeakPolarHBondContact CE1-SG 3.41Å; E129-C146 WeakPolarHBondContact O-CA 3.42Å; C146-I156 WeakPolarHBondContact O-CD1 3.43Å; C146-W158 HydrophobicContact CB-CH2 3.85Å; C146-W158 HydrophobicContact CB-CZ2 3.55Å; C146-C194 HydrophobicContact CB-CB 3.64Å; C146-C194 WeakPolarHBondContact CB-SG 2.95Å; C146-C194 WeakPolarHBondContact SG-CB 2.91Å; C146-C194 CovalentContact SG-SG 2.03Å; C146-C194 PolarHBondContact SG-SG 2.83Å
147Q87Confident82.9Confident77 Ų7747.7 Ų47.736%0.3628%0.282SS..EExtended strand (participates in β ladder)trans-122.9134.3179-56.6-170.310.700110.1F127 S128 E129 E145F127-Q147 CarbonylContact C-O 3.51Å; F127-Q147 WeakPolarHBondContact CA-O 3.15Å; S128-Q147 PolarHBondContact N-O 2.89Å; S128-Q147 WeakPolarHBondContact OG-CB 3.38Å; S128-Q147 PolarHBondContact OG-O 2.84Å; E129-Q147 HydrophobicContact CB-CB 3.85Å; E129-Q147 HydrophobicContact CB-CG 4.02Å; E129-Q147 PolarHBondContact N-O 2.92Å; E129-Q147 PolarHBondContact O-N 3.06Å; E129-Q147 PolarHBondContact OE2-NE2 3Å; E145-Q147 HydrophobicContact CG-CG 4.25Å; E145-Q147 PolarHBondContact OE1-NE2 3.03Å
148I87.7Confident83.6Confident15 Ų1545.7 Ų45.78%0.07727%0.269CS..EExtended strand (participates in β ladder)trans-153.1135.5-178.7-175.1171000109.3L124 F127 P154 I156 A196L124-I148 HydrophobicContact CD1-CD1 4.01Å; L124-I148 HydrophobicContact CD1-CG1 4.27Å; L124-I148 HydrophobicContact CD2-CD1 4.32Å; L124-I148 HydrophobicContact CG-CD1 3.98Å; F127-I148 HydrophobicContact CD1-CB 3.75Å; F127-I148 HydrophobicContact CD1-CD1 4.07Å; F127-I148 HydrophobicContact CD1-CG1 4.31Å; F127-I148 HydrophobicContact CD1-CG2 4.32Å; F127-I148 HydrophobicContact CE1-CB 4.05Å; F127-I148 HydrophobicContact CE1-CD1 3.88Å; F127-I148 HydrophobicContact CE1-CG2 4.18Å; F127-I148 HydrophobicContact CG-CD1 4.5Å; F127-I148 HydrophobicContact CZ-CD1 4.19Å; I148-P154 HydrophobicContact CG2-CB 4.31Å; I148-P154 HydrophobicContact CG2-CG 3.69Å; I148-P154 VanDerWaalsContact O-CG 3.29Å; I148-P154 WeakPolarHBondContact O-CG 3.24Å; I148-I156 HydrophobicContact CG2-CD1 4.17Å; I148-I156 HydrophobicContact CG2-CG1 4.26Å; I148-A196 HydrophobicContact CD1-CB 3.85Å; I148-A196 HydrophobicContact CG2-CB 3.46Å; I148-A196 VanDerWaalsContact CG2-CB 3.46Å
149E84.6Confident84.2Confident142 Ų14244.5 Ų44.566%0.66426%0.259SS*.EExtended strand (participates in β ladder)trans-94.8151.3179.8-62.6-175.516900110.8S125S125-E149 WeakPolarHBondContact CB-O 3.31Å; S125-E149 PolarHBondContact N-O 2.88Å; S125-E149 PolarHBondContact OG-N 2.97Å; S125-E149 VanDerWaalsContact OG-N 3.12Å; S125-E149 PolarHBondContact OG-O 2.79Å
150G81.3Confident85.1Confident19 Ų1943.8 Ų43.820%0.19624%0.241CC..EExtended strand (participates in β ladder)trans-176.9157.9179.100000112.5S123 P152 T153S123-G150 CarbonylContact O-C 3.48Å; S123-G150 VanDerWaalsContact O-CA 3.23Å; S123-G150 WeakPolarHBondContact O-CA 3.44Å; G150-P152 CarbonylContact C-O 3.59Å; G150-P152 CarbonylContact O-C 3.55Å; G150-T153 PolarHBondContact O-N 3.23Å
151V81.6Confident85.4Confident43 Ų4347.4 Ų47.426%0.26126%0.256SS..EExtended strand (participates in β ladder)trans-120.7112.2173.8-178.70000107.1I35 L120 A122 S123 N198I35-V151 HydrophobicContact CD1-CG1 3.88Å; I35-V151 HydrophobicContact CG1-CG1 3.98Å; I35-V151 HydrophobicContact CG2-CG1 4.46Å; L120-V151 HydrophobicContact CB-CG1 4.1Å; L120-V151 HydrophobicContact CD1-CG1 4.13Å; A122-V151 CarbonylContact C-O 3.59Å; A122-V151 VanDerWaalsContact CA-O 3.28Å; A122-V151 WeakPolarHBondContact CA-O 3.28Å; S123-V151 PolarHBondContact N-O 2.74Å; S123-V151 PolarHBondContact O-N 2.76Å; V151-N198 PolarHBondContact O-ND2 2.77Å
152P78.5Confident85.6Confident46 Ų4652.8 Ų52.830%0.29928%0.276SS..SBendcis-68.5166.1-5.529.8-31.5000111.6I35 G150 N198 S199I35-P152 HydrophobicContact CD1-CB 3.54Å; I35-P152 HydrophobicContact CD1-CG 4.05Å; G150-P152 CarbonylContact C-O 3.59Å; G150-P152 CarbonylContact O-C 3.55Å; P152-N198 HydrophobicContact CG-CB 4.21Å; P152-N198 PolarHBondContact O-ND2 2.84Å; P152-S199 WeakPolarHBondContact CD-OG 3.41Å
153T79.5Confident85.8Confident125 Ų12557.6 Ų57.677%0.76731%0.305SS*.PPolyproline II helixtrans-48.3123.2175.5-46.80000110.3G150G150-T153 PolarHBondContact O-N 3.23Å
154P82.6Confident85.9Confident16 Ų1658.2 Ų58.210%0.10432%0.316CS..PPolyproline II helixtrans-71.6142.5-172.125.2-31.6000112.7L124 I148 A196 S197 N198L124-P154 HydrophobicContact CD1-CB 3.61Å; L124-P154 HydrophobicContact CD1-CG 3.94Å; I148-P154 HydrophobicContact CG2-CB 4.31Å; I148-P154 HydrophobicContact CG2-CG 3.69Å; I148-P154 VanDerWaalsContact O-CG 3.29Å; I148-P154 WeakPolarHBondContact O-CG 3.24Å; P154-A196 HydrophobicContact CB-CB 4.49Å; P154-S197 CarbonylContact C-O 3.57Å; P154-S197 WeakPolarHBondContact CA-O 3.18Å; P154-N198 HydrophobicContact CB-CB 4.4Å
155I84Confident85.9Confident119 Ų11959.5 Ų59.561%0.6132%0.322SS*.EExtended strand (participates in β ladder)trans-81.2119.7170-58.1175.6000107.4T157 A196 S197I155-T157 HydrophobicContact CG2-CG2 4.3Å; I155-A196 WeakPolarHBondContact O-CA 2.94Å; I155-S197 PolarHBondContact N-O 3.31Å; I155-S197 PolarHBondContact O-N 3.28Å; I155-S197 PolarHBondContact O-OG 2.85Å
156I87.1Confident85.7Confident30 Ų3063.4 Ų63.415%0.15435%0.348CS..EExtended strand (participates in β ladder)trans-96.1130.2176.5-63.2169.9000109C146 I148 C194 A196C146-I156 WeakPolarHBondContact O-CD1 3.43Å; I148-I156 HydrophobicContact CG2-CD1 4.17Å; I148-I156 HydrophobicContact CG2-CG1 4.26Å; I156-C194 VanDerWaalsContact CG2-SG 3.6Å; I156-A196 HydrophobicContact CG1-CB 4.38Å
157T88.8Confident85.2Confident49 Ų4968.3 Ų68.330%0.30137%0.374SS..EExtended strand (participates in β ladder)trans-130.3146.7175.2570000109.7I155 V195I155-T157 HydrophobicContact CG2-CG2 4.3Å; T157-V195 PolarHBondContact N-O 2.91Å; T157-V195 PolarHBondContact O-N 2.82Å; T157-V195 PolarHBondContact OG1-O 2.9Å
158W92.3Very high84.9Confident3 Ų368.6 Ų68.61%0.01138%0.378CS..EExtended strand (participates in β ladder)trans-108.3142.7-179.8-72.291.5000111.4P131 F144 C146 T164 I165 G177 L179 R193 C194P131-W158 HydrophobicContact CB-CH2 3.91Å; P131-W158 HydrophobicContact CB-CZ3 4.23Å; P131-W158 HydrophobicContact CG-CH2 4.42Å; F144-W158 HydrophobicContact CB-CH2 3.37Å; F144-W158 HydrophobicContact CB-CZ2 4.01Å; F144-W158 HydrophobicContact CB-CZ3 3.7Å; F144-W158 HydrophobicContact CG-CH2 4.42Å; F144-W158 HydrophobicContact CG-CZ3 4.33Å; C146-W158 HydrophobicContact CB-CH2 3.85Å; C146-W158 HydrophobicContact CB-CZ2 3.55Å; W158-T164 WeakPolarHBondContact O-CA 3.33Å; W158-I165 HydrophobicContact CB-CB 4.5Å; W158-I165 HydrophobicContact CB-CD1 4.04Å; W158-I165 PolarHBondContact O-N 2.98Å; W158-G177 WeakPolarHBondContact CZ2-O 3.27Å; W158-G177 PolarHBondContact NE1-O 3.04Å; W158-L179 HydrophobicContact CB-CD1 4.45Å; W158-L179 HydrophobicContact CB-CD2 4.01Å; W158-L179 HydrophobicContact CD2-CB 3.66Å; W158-L179 HydrophobicContact CD2-CD2 3.92Å; W158-L179 HydrophobicContact CD2-CG 4.37Å; W158-L179 HydrophobicContact CE3-CB 4.31Å; W158-L179 HydrophobicContact CE3-CD2 3.99Å; W158-L179 HydrophobicContact CG-CB 3.77Å; W158-L179 HydrophobicContact CG-CD1 4.41Å; W158-L179 HydrophobicContact CG-CD2 3.94Å; W158-L179 HydrophobicContact CG-CG 4.26Å; W158-L179 HydrophobicContact CZ2-CB 4.11Å; W158-R193 WeakPolarHBondContact CA-O 3.4Å; W158-C194 HydrophobicContact CD2-CB 4.45Å; W158-C194 HydrophobicContact CE3-CB 4.14Å; W158-C194 HydrophobicContact CH2-CB 3.83Å; W158-C194 HydrophobicContact CZ2-CB 4.16Å; W158-C194 HydrophobicContact CZ3-CB 3.82Å
159Q93.1Very high84.1Confident38 Ų3874 Ų7418%0.17841%0.412CS..EExtended strand (participates in β ladder)trans-127.3139175.7-55-177-29.400110.1V163 Y192 R193 V195Q159-V163 CarbonylContact C-O 3.54Å; Q159-V163 WeakPolarHBondContact CA-O 3.41Å; Q159-Y192 CarbonylContact O-C 3.52Å; Q159-Y192 WeakPolarHBondContact O-CA 3.33Å; Q159-R193 HydrophobicContact CB-CB 4.32Å; Q159-R193 PolarHBondContact N-O 3.07Å; Q159-R193 PolarHBondContact O-N 2.82Å; Q159-V195 HydrophobicContact CG-CG2 4.14Å
160K91.4Very high83.9Confident39 Ų3970.3 Ų70.317%0.1739%0.392CS..EExtended strand (participates in β ladder)trans-109.3126.3165.9-170.6-169.8-171-78.50107.6Q162 V163 I165 E187 D188 E189 Y192K160-Q162 PolarHBondContact O-N 2.76Å; K160-Q162 VanDerWaalsContact O-N 3.15Å; K160-V163 PolarHBondContact N-O 3.19Å; K160-V163 PolarHBondContact O-N 3.47Å; K160-I165 HydrophobicContact CB-CD1 4.08Å; K160-I165 HydrophobicContact CB-CG1 4.15Å; K160-E187 PolarHBondContact NZ-O 2.87Å; K160-D188 WeakPolarHBondContact CE-O 3.42Å; K160-E189 PolarHBondContact NZ-O 3.04Å; K160-Y192 HydrophobicContact CB-CD1 4.27Å; K160-Y192 HydrophobicContact CB-CE1 3.94Å; K160-Y192 HydrophobicContact CD-CE1 4.16Å; K160-Y192 HydrophobicContact CD-CE2 4.38Å; K160-Y192 WeakPolarHBondContact CD-OH 3.47Å; K160-Y192 VanDerWaalsContact CE-OH 3.32Å; K160-Y192 WeakPolarHBondContact CE-OH 3.24Å; K160-Y192 HydrophobicContact CG-CD1 4.44Å; K160-Y192 HydrophobicContact CG-CE1 3.94Å; K160-Y192 HydrophobicContact CG-CE2 4.21Å
161D81.1Confident84.1Confident95 Ų9570.6 Ų70.651%0.50839%0.388SS..THydrogen-bonded Turntrans51.541.2176.6-50.1-43.9000113V163 L191D161-V163 VanDerWaalsContact C-N 3.29Å; D161-V163 PolarHBondContact O-N 3.42Å; D161-L191 PolarHBondContact N-O 3.31Å; D161-L191 VanDerWaalsContact N-O 3.16Å; D161-L191 PolarHBondContact OD1-N 3.18Å
162Q81.7Confident84.1Confident158 Ų15869 Ų6974%0.73838%0.378SS*.THydrogen-bonded Turntrans68.82.3-174.1-51.4-172.715.200117.4K160K160-Q162 PolarHBondContact O-N 2.76Å; K160-Q162 VanDerWaalsContact O-N 3.15Å
163V87.3Confident84.3Confident104 Ų10468 Ų6863%0.6337%0.372SS*.EExtended strand (participates in β ladder)trans-97.2127.5174-176.60000110.1Q159 K160 D161 I165Q159-V163 CarbonylContact C-O 3.54Å; Q159-V163 WeakPolarHBondContact CA-O 3.41Å; K160-V163 PolarHBondContact N-O 3.19Å; K160-V163 PolarHBondContact O-N 3.47Å; D161-V163 VanDerWaalsContact C-N 3.29Å; D161-V163 PolarHBondContact O-N 3.42Å; V163-I165 PolarHBondContact O-N 3.03Å
164T88Confident84.3Confident75 Ų7562.3 Ų62.346%0.4634%0.337SS..EExtended strand (participates in β ladder)trans-61127.6175.5-54.30000111.1W158W158-T164 WeakPolarHBondContact O-CA 3.33Å
165I88.9Confident84Confident27 Ų2765.8 Ų65.814%0.13836%0.359CS..PPolyproline II helixtrans-76.2128177.3-57.5177000108.3W158 K160 V163 F171 L179 Y192W158-I165 HydrophobicContact CB-CB 4.5Å; W158-I165 HydrophobicContact CB-CD1 4.04Å; W158-I165 PolarHBondContact O-N 2.98Å; K160-I165 HydrophobicContact CB-CD1 4.08Å; K160-I165 HydrophobicContact CB-CG1 4.15Å; V163-I165 PolarHBondContact O-N 3.03Å; I165-F171 HydrophobicContact CD1-CD1 4.43Å; I165-F171 HydrophobicContact CG2-CB 3.67Å; I165-F171 HydrophobicContact CG2-CD1 3.85Å; I165-F171 HydrophobicContact CG2-CG 3.82Å; I165-L179 HydrophobicContact CD1-CD1 4.45Å; I165-L179 HydrophobicContact CD1-CD2 3.7Å; I165-L179 HydrophobicContact CG2-CD1 4.48Å; I165-Y192 HydrophobicContact CD1-CD1 3.73Å; I165-Y192 HydrophobicContact CD1-CE1 3.63Å
166T84Confident83.6Confident112 Ų11263.1 Ų63.169%0.68735%0.346SS*.PPolyproline II helixtrans-98.7137.8171.253.10000110D168T166-D168 PolarHBondContact O-N 3.02Å
167D78.4Confident83.4Confident102 Ų10261.7 Ų61.755%0.54534%0.339SS..PPolyproline II helixtrans-60.6132179.1-65.3-32.4000112.5F171 S173D167-F171 WeakPolarHBondContact CA-O 3.37Å; D167-S173 WeakPolarHBondContact OD1-CA 3.46Å; D167-S173 WeakPolarHBondContact OD1-CB 3.38Å; D167-S173 PolarHBondContact OD1-N 2.92Å
168D80.1Confident83.2Confident84 Ų8459.3 Ų59.345%0.44933%0.325SS..  trans-143.5-159.5173.883.6-7.4000111.7T166 R170 F171T166-D168 PolarHBondContact O-N 3.02Å; D168-R170 VanDerWaalsContact C-N 3.27Å; D168-R170 PolarHBondContact O-N 3.06Å; D168-R170 WeakPolarHBondContact OD1-CA 3.39Å; D168-R170 PolarHBondContact OD1-N 3.29Å; D168-F171 PolarHBondContact N-O 2.83Å; D168-F171 PolarHBondContact OD1-N 3.04Å
169T71.4Confident83Confident128 Ų12859.2 Ų59.279%0.78532%0.324SS*.SBendtrans-77.2-8179.464.90000114.6
170R81.3Confident82.6Confident65 Ų6557.8 Ų57.825%0.24532%0.318CS..SBendtrans-115.9-45.1178.6-56.7-162.3-52.3122.7-2.2112.3D168 I181 L182 D188D168-R170 VanDerWaalsContact C-N 3.27Å; D168-R170 PolarHBondContact O-N 3.06Å; D168-R170 WeakPolarHBondContact OD1-CA 3.39Å; D168-R170 PolarHBondContact OD1-N 3.29Å; R170-I181 CarbonylContact O-C 3.58Å; R170-I181 WeakPolarHBondContact O-CA 3.34Å; R170-L182 PolarHBondContact O-N 3.23Å; R170-D188 IonicContact CZ-OD1 3.51Å; R170-D188 IonicContact CZ-OD2 3.59Å; R170-D188 VanDerWaalsContact NH1-CG 3.3Å; R170-D188 IonicContact NH1-OD1 3.47Å; R170-D188 PolarHBondContact NH1-OD1 2.85Å; R170-D188 VanDerWaalsContact NH1-OD1 3.07Å; R170-D188 IonicContact NH1-OD2 3.1Å; R170-D188 PolarHBondContact NH1-OD2 2.89Å; R170-D188 IonicContact NH2-OD1 3.42Å; R170-D188 PolarHBondContact NH2-OD1 3.25Å; R170-D188 IonicContact NH2-OD2 2.7Å
171F84.9Confident82.4Confident25 Ų2555.9 Ų55.911%0.1131%0.31CS..EExtended strand (participates in β ladder)trans-95.4119.3177.6-66.1-82.6000109.8I165 D167 D168 I181 D188 Y192I165-F171 HydrophobicContact CD1-CD1 4.43Å; I165-F171 HydrophobicContact CG2-CB 3.67Å; I165-F171 HydrophobicContact CG2-CD1 3.85Å; I165-F171 HydrophobicContact CG2-CG 3.82Å; D167-F171 WeakPolarHBondContact CA-O 3.37Å; D168-F171 PolarHBondContact N-O 2.83Å; D168-F171 PolarHBondContact OD1-N 3.04Å; F171-I181 HydrophobicContact CD1-CB 4.5Å; F171-I181 HydrophobicContact CD1-CD1 4.35Å; F171-I181 HydrophobicContact CD1-CG1 3.9Å; F171-I181 HydrophobicContact CD1-CG2 4.09Å; F171-I181 HydrophobicContact CE1-CB 4.44Å; F171-I181 HydrophobicContact CE1-CD1 3.95Å; F171-I181 HydrophobicContact CE1-CG1 3.93Å; F171-I181 HydrophobicContact CE1-CG2 3.72Å; F171-I181 HydrophobicContact CZ-CG2 4.19Å; F171-D188 WeakPolarHBondContact CZ-OD1 3Å; F171-Y192 HydrophobicContact CE1-CE1 4.25Å
172I81.1Confident82.3Confident8 Ų852.3 Ų52.34%0.04129%0.29CS..EExtended strand (participates in β ladder)trans-127.1102-178.5-58.3169.4000107.7L174 Q180 L182 L271 A272I172-L174 HydrophobicContact CG2-CD2 3.76Å; I172-L174 HydrophobicContact CG2-CG 4.37Å; I172-Q180 HydrophobicContact CB-CB 4.41Å; I172-Q180 PolarHBondContact N-O 2.78Å; I172-Q180 PolarHBondContact O-N 2.9Å; I172-L182 HydrophobicContact CD1-CD1 3.68Å; I172-L182 HydrophobicContact CD1-CG 4.42Å; I172-L271 HydrophobicContact CD1-CB 4.38Å; I172-L271 HydrophobicContact CG2-CB 4.2Å; I172-L271 HydrophobicContact CG2-CD1 4.11Å; I172-A272 HydrophobicContact CD1-CB 3.83Å
173S83.5Confident82.2Confident27 Ų2752.2 Ų52.219%0.18929%0.287CS..EExtended strand (participates in β ladder)trans-84.1127.2167.8-168.90000109.4D167D167-S173 WeakPolarHBondContact OD1-CA 3.46Å; D167-S173 WeakPolarHBondContact OD1-CB 3.38Å; D167-S173 PolarHBondContact OD1-N 2.92Å
174L80.3Confident82.1Confident4 Ų447.3 Ų47.32%0.02126%0.258CS..  trans-103.6145.1178.3-61.3179.6000110.9I172 N176 G177 V178 V241 N274 V276I172-L174 HydrophobicContact CG2-CD2 3.76Å; I172-L174 HydrophobicContact CG2-CG 4.37Å; L174-N176 WeakPolarHBondContact CB-OD1 3.01Å; L174-N176 PolarHBondContact O-N 3.43Å; L174-G177 PolarHBondContact O-N 2.94Å; L174-V178 HydrophobicContact CB-CB 4.37Å; L174-V178 HydrophobicContact CD1-CB 4.09Å; L174-V178 HydrophobicContact CD1-CG1 4.31Å; L174-V178 PolarHBondContact N-O 2.82Å; L174-V241 HydrophobicContact CD1-CG1 4.17Å; L174-V241 HydrophobicContact CD2-CG1 4.41Å; L174-N274 HydrophobicContact CD1-CB 4.47Å; L174-N274 VanDerWaalsContact CD1-ND2 3.27Å; L174-N274 WeakPolarHBondContact CD1-ND2 3.45Å; L174-V276 HydrophobicContact CD2-CG2 4.19Å
175P75.9Confident82.1Confident89 Ų8945.9 Ų45.958%0.57825%0.249SC*.THydrogen-bonded Turntrans-54.2-20.4173.9-30.334000116.3G177 V241P175-G177 PolarHBondContact O-N 3.3Å; P175-V241 HydrophobicContact CB-CG2 4.13Å; P175-V241 HydrophobicContact CG-CG2 3.97Å
176N75.8Confident81.9Confident63 Ų6349.7 Ų49.734%0.33726%0.264SS..THydrogen-bonded Turntrans-83.810.9174.571.3-25.8000113.6L174L174-N176 WeakPolarHBondContact CB-OD1 3.01Å; L174-N176 PolarHBondContact O-N 3.43Å
177G81.9Confident82.1Confident0 Ų051.3 Ų51.30%026%0.264CS..SBendtrans88.8-1.6176.500000115.4W158 L174 P175W158-G177 WeakPolarHBondContact CZ2-O 3.27Å; W158-G177 PolarHBondContact NE1-O 3.04Å; L174-G177 PolarHBondContact O-N 2.94Å; P175-G177 PolarHBondContact O-N 3.3Å
178V85.8Confident82.6Confident0 Ų046.7 Ų46.70%024%0.24CC..  trans-83.9133.4-179.6177.40000111.6R143 F144 E145 L174 Q180R143-V178 HydrophobicContact CG-CG1 3.73Å; F144-V178 CarbonylContact O-C 3.57Å; F144-V178 WeakPolarHBondContact O-CA 3.44Å; E145-V178 HydrophobicContact CB-CG2 4.42Å; E145-V178 HydrophobicContact CG-CG2 4.1Å; L174-V178 HydrophobicContact CB-CB 4.37Å; L174-V178 HydrophobicContact CD1-CB 4.09Å; L174-V178 HydrophobicContact CD1-CG1 4.31Å; L174-V178 PolarHBondContact N-O 2.82Å; V178-Q180 HydrophobicContact CG1-CG 4.03Å
179L87.9Confident83.2Confident0 Ų045.1 Ų45.10%023%0.23CC..EExtended strand (participates in β ladder)trans-106.9115.9166.8175.568.8000110R143 F144 W158 I165 I181 Y192R143-L179 CarbonylContact C-O 3.58Å; R143-L179 WeakPolarHBondContact CA-O 3.34Å; F144-L179 HydrophobicContact CB-CB 4.45Å; F144-L179 HydrophobicContact CD2-CD2 4.32Å; F144-L179 PolarHBondContact N-O 2.81Å; F144-L179 PolarHBondContact O-N 3.37Å; W158-L179 HydrophobicContact CB-CD1 4.45Å; W158-L179 HydrophobicContact CB-CD2 4.01Å; W158-L179 HydrophobicContact CD2-CB 3.66Å; W158-L179 HydrophobicContact CD2-CD2 3.92Å; W158-L179 HydrophobicContact CD2-CG 4.37Å; W158-L179 HydrophobicContact CE3-CB 4.31Å; W158-L179 HydrophobicContact CE3-CD2 3.99Å; W158-L179 HydrophobicContact CG-CB 3.77Å; W158-L179 HydrophobicContact CG-CD1 4.41Å; W158-L179 HydrophobicContact CG-CD2 3.94Å; W158-L179 HydrophobicContact CG-CG 4.26Å; W158-L179 HydrophobicContact CZ2-CB 4.11Å; I165-L179 HydrophobicContact CD1-CD1 4.45Å; I165-L179 HydrophobicContact CD1-CD2 3.7Å; I165-L179 HydrophobicContact CG2-CD1 4.48Å; L179-I181 HydrophobicContact CD2-CD1 4.31Å; L179-I181 HydrophobicContact CD2-CG1 4.34Å; L179-I181 HydrophobicContact CG-CG1 4.21Å; L179-Y192 HydrophobicContact CD2-CD1 3.68Å; L179-Y192 HydrophobicContact CD2-CE1 4.05Å
180Q84.1Confident84.1Confident8 Ų839.7 Ų39.74%0.03720%0.199CC..EExtended strand (participates in β ladder)trans-99.4135.1169.4-61.5-171-1.100110.7A142 R143 I172 V178 E243 T273 N274A142-Q180 WeakPolarHBondContact O-CA 3.43Å; R143-Q180 HydrophobicContact CG-CG 4.29Å; I172-Q180 HydrophobicContact CB-CB 4.41Å; I172-Q180 PolarHBondContact N-O 2.78Å; I172-Q180 PolarHBondContact O-N 2.9Å; V178-Q180 HydrophobicContact CG1-CG 4.03Å; Q180-E243 PolarHBondContact NE2-OE1 3.08Å; Q180-T273 PolarHBondContact OE1-OG1 2.91Å; Q180-N274 VanDerWaalsContact CD-ND2 3.35Å; Q180-N274 PolarHBondContact NE2-ND2 2.94Å; Q180-N274 PolarHBondContact OE1-ND2 3.25Å
181I87.6Confident84.7Confident0 Ų039.9 Ų39.90%020%0.204CC..EExtended strand (participates in β ladder)trans-119.6119.7175.6-47.9173.8000108.3S141 A142 F144 R170 F171 L179 V184 Y192 L210S141-I181 CarbonylContact C-O 3.58Å; S141-I181 WeakPolarHBondContact CA-O 3.11Å; S141-I181 WeakPolarHBondContact CB-O 3.43Å; A142-I181 HydrophobicContact CB-CB 4.18Å; A142-I181 HydrophobicContact CB-CD1 4.27Å; A142-I181 HydrophobicContact CB-CG1 4.44Å; A142-I181 PolarHBondContact N-O 2.77Å; A142-I181 PolarHBondContact O-N 2.78Å; F144-I181 HydrophobicContact CD2-CD1 4.4Å; F144-I181 HydrophobicContact CE2-CD1 4.15Å; R170-I181 CarbonylContact O-C 3.58Å; R170-I181 WeakPolarHBondContact O-CA 3.34Å; F171-I181 HydrophobicContact CD1-CB 4.5Å; F171-I181 HydrophobicContact CD1-CD1 4.35Å; F171-I181 HydrophobicContact CD1-CG1 3.9Å; F171-I181 HydrophobicContact CD1-CG2 4.09Å; F171-I181 HydrophobicContact CE1-CB 4.44Å; F171-I181 HydrophobicContact CE1-CD1 3.95Å; F171-I181 HydrophobicContact CE1-CG1 3.93Å; F171-I181 HydrophobicContact CE1-CG2 3.72Å; F171-I181 HydrophobicContact CZ-CG2 4.19Å; L179-I181 HydrophobicContact CD2-CD1 4.31Å; L179-I181 HydrophobicContact CD2-CG1 4.34Å; L179-I181 HydrophobicContact CG-CG1 4.21Å; I181-V184 HydrophobicContact CB-CG2 4.25Å; I181-V184 HydrophobicContact CG2-CG2 3.99Å; I181-Y192 HydrophobicContact CD1-CD1 4.27Å; I181-Y192 HydrophobicContact CD1-CE1 3.53Å; I181-Y192 HydrophobicContact CD1-CE2 4.21Å; I181-Y192 VanDerWaalsContact CD1-CZ 3.49Å; I181-L210 HydrophobicContact CD1-CD2 4.2Å
182L78.6Confident85.2Confident20 Ų2038.7 Ų38.711%0.10520%0.199CC..EExtended strand (participates in β ladder)trans-107.5142.1-174.6-52.8177.2000111.7R170 I172 A272R170-L182 PolarHBondContact O-N 3.23Å; I172-L182 HydrophobicContact CD1-CD1 3.68Å; I172-L182 HydrophobicContact CD1-CG 4.42Å; L182-A272 HydrophobicContact CD1-CB 3.41Å; L182-A272 VanDerWaalsContact CD1-CB 3.41Å
183K78.8Confident85.7Confident156 Ų15641.8 Ų41.868%0.67821%0.21SC*.SBendtrans56.253.2-176.9-54.6175.8-178.2172.70111.3G140 T185G140-K183 WeakPolarHBondContact O-CA 3.4Å; G140-K183 PolarHBondContact O-N 2.97Å; K183-T185 PolarHBondContact O-N 2.88Å
184V85.9Confident86.2Confident1 Ų140.5 Ų40.51%0.00620%0.201CC..  trans-54.2122.5-176.1174.20000110.7V136 T138 G139 G140 A142 I181 D188 L210 V212V136-V184 HydrophobicContact CG1-CB 4.21Å; V136-V184 HydrophobicContact CG1-CG1 4.43Å; V136-V184 HydrophobicContact CG1-CG2 4.14Å; T138-V184 CarbonylContact C-O 3.58Å; T138-V184 WeakPolarHBondContact CA-O 3.33Å; G139-V184 PolarHBondContact N-O 3.45Å; G140-V184 PolarHBondContact O-N 3.22Å; A142-V184 HydrophobicContact CB-CG2 4.24Å; I181-V184 HydrophobicContact CB-CG2 4.25Å; I181-V184 HydrophobicContact CG2-CG2 3.99Å; V184-D188 WeakPolarHBondContact CA-OD2 3.46Å; V184-D188 HydrophobicContact CG1-CB 4.25Å; V184-L210 HydrophobicContact CG1-CD2 4.13Å; V184-V212 HydrophobicContact CG1-CG1 4.09Å; V184-V212 HydrophobicContact CG1-CG2 3.6Å
185T87.8Confident86.6Confident45 Ų4540.7 Ų40.728%0.27620%0.203SC..  trans-101.6175.7174.571.90000110.8K183 E187 D188K183-T185 PolarHBondContact O-N 2.88Å; T185-E187 VanDerWaalsContact C-N 3.25Å; T185-E187 WeakPolarHBondContact CB-OE2 3.38Å; T185-E187 PolarHBondContact O-N 2.74Å; T185-E187 PolarHBondContact OG1-N 2.88Å; T185-E187 PolarHBondContact OG1-OE2 3.34Å; T185-D188 PolarHBondContact N-OD2 3.19Å; T185-D188 PolarHBondContact O-N 3.43Å; T185-D188 PolarHBondContact OG1-OD2 2.83Å
186K85.4Confident87.2Confident106 Ų10636.5 Ų36.546%0.46118%0.175SC..G310 helixtrans-70.8-23.2176.5-16854.4167.1175.20112.3D188 E189 V212K186-D188 VanDerWaalsContact C-N 3.31Å; K186-E189 IonicContact NZ-OE2 3.83Å; K186-E189 PolarHBondContact NZ-OE2 3.49Å; K186-E189 WeakPolarHBondContact O-CB 3.49Å; K186-E189 PolarHBondContact O-N 2Å; K186-V212 HydrophobicContact CD-CB 4.02Å; K186-V212 HydrophobicContact CD-CG1 4.31Å; K186-V212 PolarHBondContact NZ-O 3.35Å
187E87.6Confident87.6Confident146 Ų14634.9 Ų34.968%0.68217%0.169SC*.G310 helixtrans-72.2-23.3174.3-53.281.7-139.200113K160 T185 E189K160-E187 PolarHBondContact NZ-O 2.87Å; T185-E187 VanDerWaalsContact C-N 3.25Å; T185-E187 WeakPolarHBondContact CB-OE2 3.38Å; T185-E187 PolarHBondContact O-N 2.74Å; T185-E187 PolarHBondContact OG1-N 2.88Å; T185-E187 PolarHBondContact OG1-OE2 3.34Å; E187-E189 PolarHBondContact O-N 2.84Å
188D90Very high87.6Confident6 Ų635.9 Ų35.93%0.03217%0.174CC..G310 helixtrans-74-9.9175.8-58.5-40.5000112.1K160 R170 F171 V184 T185 K186 G190 Y192 L210K160-D188 WeakPolarHBondContact CE-O 3.42Å; R170-D188 IonicContact CZ-OD1 3.51Å; R170-D188 IonicContact CZ-OD2 3.59Å; R170-D188 VanDerWaalsContact NH1-CG 3.3Å; R170-D188 IonicContact NH1-OD1 3.47Å; R170-D188 PolarHBondContact NH1-OD1 2.85Å; R170-D188 VanDerWaalsContact NH1-OD1 3.07Å; R170-D188 IonicContact NH1-OD2 3.1Å; R170-D188 PolarHBondContact NH1-OD2 2.89Å; R170-D188 IonicContact NH2-OD1 3.42Å; R170-D188 PolarHBondContact NH2-OD1 3.25Å; R170-D188 IonicContact NH2-OD2 2.7Å; F171-D188 WeakPolarHBondContact CZ-OD1 3Å; V184-D188 WeakPolarHBondContact CA-OD2 3.46Å; V184-D188 HydrophobicContact CG1-CB 4.25Å; T185-D188 PolarHBondContact N-OD2 3.19Å; T185-D188 PolarHBondContact O-N 3.43Å; T185-D188 PolarHBondContact OG1-OD2 2.83Å; K186-D188 VanDerWaalsContact C-N 3.31Å; D188-G190 PolarHBondContact O-N 3.22Å; D188-Y192 WeakPolarHBondContact O-CE2 3.2Å; D188-Y192 PolarHBondContact O-OH 2.87Å; D188-L210 HydrophobicContact CB-CD2 4.41Å
189E91.8Very high87.1Confident51 Ų5138.1 Ų38.124%0.23819%0.19CC..  trans-60.4137173.4-162.2174.8129.400111.1K160 K186 E187 R209 L210 V212K160-E189 PolarHBondContact NZ-O 3.04Å; K186-E189 IonicContact NZ-OE2 3.83Å; K186-E189 PolarHBondContact NZ-OE2 3.49Å; K186-E189 WeakPolarHBondContact O-CB 3.49Å; K186-E189 PolarHBondContact O-N 2Å; E187-E189 PolarHBondContact O-N 2.84Å; E189-R209 IonicContact OE1-NH2 3.5Å; E189-L210 WeakPolarHBondContact CG-O 3.34Å; E189-V212 HydrophobicContact CB-CB 4.4Å; E189-V212 HydrophobicContact CB-CG2 3.93Å; E189-V212 HydrophobicContact CG-CG2 4.39Å; E189-V212 PolarHBondContact OE2-N 2.83Å; E189-V212 VanDerWaalsContact OE2-N 3.08Å
190G91Very high86.2Confident13 Ų1339 Ų3913%0.13420%0.197CC..EExtended strand (participates in β ladder)trans163.4-171.8-176.900000114.2D188 L210D188-G190 PolarHBondContact O-N 3.22Å; G190-L210 PolarHBondContact O-N 3.02Å
191L93.1Very high85.2Confident70 Ų7043.9 Ų43.937%0.36622%0.218SC..EExtended strand (participates in β ladder)trans-99.9124.3175.1-167.370.8000109.6D161 E207 R209D161-L191 PolarHBondContact N-O 3.31Å; D161-L191 VanDerWaalsContact N-O 3.16Å; D161-L191 PolarHBondContact OD1-N 3.18Å; L191-E207 HydrophobicContact CD1-CB 4.25Å; L191-E207 HydrophobicContact CD2-CB 4.5Å; L191-E207 WeakPolarHBondContact CD2-OE1 3.19Å; L191-E207 HydrophobicContact CG-CB 4.34Å; L191-R209 HydrophobicContact CD1-CB 4.39Å
192Y94.6Very high84Confident0 Ų053.5 Ų53.50%026%0.26CS..EExtended strand (participates in β ladder)trans-106.5122179.4-73.5-94.5000109.3F144 Q159 K160 I165 F171 L179 I181 D188 E207 A208 L210F144-Y192 HydrophobicContact CD2-CD1 4.47Å; F144-Y192 HydrophobicContact CD2-CG 4.16Å; F144-Y192 HydrophobicContact CE2-CD1 4.3Å; F144-Y192 AromaticContact CE2-CD2 3.69Å; F144-Y192 HydrophobicContact CE2-CD2 3.69Å; F144-Y192 HydrophobicContact CE2-CE2 4.24Å; F144-Y192 AromaticContact CE2-CG 3.73Å; F144-Y192 HydrophobicContact CE2-CG 3.73Å; F144-Y192 HydrophobicContact CZ-CD2 4.02Å; F144-Y192 HydrophobicContact CZ-CG 4.3Å; Q159-Y192 CarbonylContact O-C 3.52Å; Q159-Y192 WeakPolarHBondContact O-CA 3.33Å; K160-Y192 HydrophobicContact CB-CD1 4.27Å; K160-Y192 HydrophobicContact CB-CE1 3.94Å; K160-Y192 HydrophobicContact CD-CE1 4.16Å; K160-Y192 HydrophobicContact CD-CE2 4.38Å; K160-Y192 WeakPolarHBondContact CD-OH 3.47Å; K160-Y192 VanDerWaalsContact CE-OH 3.32Å; K160-Y192 WeakPolarHBondContact CE-OH 3.24Å; K160-Y192 HydrophobicContact CG-CD1 4.44Å; K160-Y192 HydrophobicContact CG-CE1 3.94Å; K160-Y192 HydrophobicContact CG-CE2 4.21Å; I165-Y192 HydrophobicContact CD1-CD1 3.73Å; I165-Y192 HydrophobicContact CD1-CE1 3.63Å; F171-Y192 HydrophobicContact CE1-CE1 4.25Å; L179-Y192 HydrophobicContact CD2-CD1 3.68Å; L179-Y192 HydrophobicContact CD2-CE1 4.05Å; I181-Y192 HydrophobicContact CD1-CD1 4.27Å; I181-Y192 HydrophobicContact CD1-CE1 3.53Å; I181-Y192 HydrophobicContact CD1-CE2 4.21Å; I181-Y192 VanDerWaalsContact CD1-CZ 3.49Å; D188-Y192 WeakPolarHBondContact O-CE2 3.2Å; D188-Y192 PolarHBondContact O-OH 2.87Å; Y192-E207 WeakPolarHBondContact O-CA 3.31Å; Y192-A208 PolarHBondContact N-O 2.87Å; Y192-A208 PolarHBondContact O-N 2.97Å; Y192-L210 HydrophobicContact CD2-CB 3.99Å; Y192-L210 HydrophobicContact CE2-CB 3.74Å; Y192-L210 HydrophobicContact CE2-CD2 4.02Å
193R93.1Very high84Confident73 Ų7357.6 Ų57.628%0.27528%0.282SS..EExtended strand (participates in β ladder)trans-107.8123.4179.3179.5-178.3-68.3-147.6-4.2109.7W158 Q159 V195 S206 E207W158-R193 WeakPolarHBondContact CA-O 3.4Å; Q159-R193 HydrophobicContact CB-CB 4.32Å; Q159-R193 PolarHBondContact N-O 3.07Å; Q159-R193 PolarHBondContact O-N 2.82Å; R193-V195 HydrophobicContact CG-CG2 3.77Å; R193-S206 WeakPolarHBondContact CA-O 3.33Å; R193-E207 HydrophobicContact CB-CG 3.9Å; R193-E207 HydrophobicContact CG-CG 3.88Å; R193-E207 IonicContact CZ-OE1 2.76Å; R193-E207 IonicContact NE-OE1 2.95Å; R193-E207 PolarHBondContact NE-OE1 2.88Å; R193-E207 VanDerWaalsContact NH2-CD 3.28Å; R193-E207 IonicContact NH2-OE1 2.95Å; R193-E207 PolarHBondContact NH2-OE1 3Å; R193-E207 IonicContact NH2-OE2 2.82Å; R193-E207 PolarHBondContact NH2-OE2 2.82Å
194C92.5Very high84.2Confident0 Ų052.1 Ų52.10%026%0.262CS..EExtended strand (participates in β ladder)trans-80.6129.9161.9176.20000108.5C146 I156 W158 S205 S206C146-C194 HydrophobicContact CB-CB 3.64Å; C146-C194 WeakPolarHBondContact CB-SG 2.95Å; C146-C194 WeakPolarHBondContact SG-CB 2.91Å; C146-C194 CovalentContact SG-SG 2.03Å; C146-C194 PolarHBondContact SG-SG 2.83Å; I156-C194 VanDerWaalsContact CG2-SG 3.6Å; W158-C194 HydrophobicContact CD2-CB 4.45Å; W158-C194 HydrophobicContact CE3-CB 4.14Å; W158-C194 HydrophobicContact CH2-CB 3.83Å; W158-C194 HydrophobicContact CZ2-CB 4.16Å; W158-C194 HydrophobicContact CZ3-CB 3.82Å; C194-S205 CarbonylContact O-C 3.56Å; C194-S205 WeakPolarHBondContact O-CA 3.41Å; C194-S205 WeakPolarHBondContact O-CB 3.33Å; C194-S206 PolarHBondContact N-O 2.78Å; C194-S206 PolarHBondContact O-N 3.17Å; C194-S206 VanDerWaalsContact O-N 3.1Å
195V90Very high84.4Confident8 Ų854.6 Ų54.65%0.04828%0.279CS..EExtended strand (participates in β ladder)trans-122.5114.6174.1-174.60000108.6T157 Q159 R193 N203T157-V195 PolarHBondContact N-O 2.91Å; T157-V195 PolarHBondContact O-N 2.82Å; T157-V195 PolarHBondContact OG1-O 2.9Å; Q159-V195 HydrophobicContact CG-CG2 4.14Å; R193-V195 HydrophobicContact CG-CG2 3.77Å; V195-N203 HydrophobicContact CG1-CB 3.98Å; V195-N203 VanDerWaalsContact CG1-OD1 3.3Å; V195-N203 WeakPolarHBondContact CG1-OD1 3.49Å
196A87.9Confident84.5Confident0 Ų053.2 Ų53.20%027%0.271CS..EExtended strand (participates in β ladder)trans-103.7135.5177.300000110.5F127 I148 P154 I155 I156 N203 V204F127-A196 HydrophobicContact CE1-CB 4.17Å; F127-A196 HydrophobicContact CZ-CB 4.43Å; I148-A196 HydrophobicContact CD1-CB 3.85Å; I148-A196 HydrophobicContact CG2-CB 3.46Å; I148-A196 VanDerWaalsContact CG2-CB 3.46Å; P154-A196 HydrophobicContact CB-CB 4.49Å; I155-A196 WeakPolarHBondContact O-CA 2.94Å; I156-A196 HydrophobicContact CG1-CB 4.38Å; A196-N203 WeakPolarHBondContact O-CA 3.27Å; A196-V204 PolarHBondContact N-O 2.95Å; A196-V204 PolarHBondContact O-N 2.82Å
197S84.9Confident84.9Confident29 Ų2952 Ų5220%0.20327%0.267CS..EExtended strand (participates in β ladder)trans-140.3141.3-176.263.50000111.6P154 I155 N203P154-S197 CarbonylContact C-O 3.57Å; P154-S197 WeakPolarHBondContact CA-O 3.18Å; I155-S197 PolarHBondContact N-O 3.31Å; I155-S197 PolarHBondContact O-N 3.28Å; I155-S197 PolarHBondContact O-OG 2.85Å; S197-N203 WeakPolarHBondContact CB-OD1 3.22Å
198N82.1Confident85.1Confident22 Ų2245.2 Ų45.212%0.11824%0.236CC..  trans-149.6-176.8164.876.5-1.9000109.6S123 V151 P152 P154 A200 K201S123-N198 PolarHBondContact O-ND2 2.87Å; V151-N198 PolarHBondContact O-ND2 2.77Å; P152-N198 HydrophobicContact CG-CB 4.21Å; P152-N198 PolarHBondContact O-ND2 2.84Å; P154-N198 HydrophobicContact CB-CB 4.4Å; N198-A200 PolarHBondContact O-N 2.72Å; N198-A200 WeakPolarHBondContact OD1-CB 3.33Å; N198-A200 PolarHBondContact OD1-N 3.48Å; N198-K201 VanDerWaalsContact O-O 3.06Å; N198-K201 PolarHBondContact OD1-N 2.83Å
199S74.8Confident85.3Confident46 Ų4651.5 Ų51.532%0.32226%0.259SS..SBendtrans-69.3-12.7-178.252.40000115E37 P152E37-S199 WeakPolarHBondContact OE1-CB 3.41Å; E37-S199 PolarHBondContact OE1-OG 3.01Å; P152-S199 WeakPolarHBondContact CD-OG 3.41Å
200A67.9Low85.3Confident19 Ų1949 Ų4916%0.15725%0.247CC..SBendtrans-78.8-41.1179.300000113.4A122 L124 N198A122-A200 HydrophobicContact CB-CB 3.72Å; A122-A200 WeakPolarHBondContact O-CB 3.45Å; L124-A200 HydrophobicContact CB-CB 4.46Å; N198-A200 PolarHBondContact O-N 2.72Å; N198-A200 WeakPolarHBondContact OD1-CB 3.33Å; N198-A200 PolarHBondContact OD1-N 3.48Å
201K64.3Low85.2Confident111 Ų11151.5 Ų51.548%0.48326%0.257SS..SBendtrans-141.4130.5-178.1-76.4-178.9-175159.30109.7L124 N198 N203 V204L124-K201 HydrophobicContact CB-CB 4.39Å; L124-K201 HydrophobicContact CB-CD 4.36Å; L124-K201 HydrophobicContact CD2-CB 4.02Å; L124-K201 PolarHBondContact O-NZ 2.83Å; N198-K201 VanDerWaalsContact O-O 3.06Å; N198-K201 PolarHBondContact OD1-N 2.83Å; K201-N203 VanDerWaalsContact C-N 3.35Å; K201-N203 PolarHBondContact O-N 2.88Å; K201-V204 HydrophobicContact CD-CG2 4.17Å
202K62.5Low85Confident201 Ų20148.3 Ų48.387%0.87424%0.24SC*.SBendtrans-54.7-42.7-170.5-115.8-177.1179-177.20114.7
203N77.4Confident84.3Confident107 Ų10751 Ų5157%0.57226%0.257SS*.  trans-163142.6173.4-80.1-44.3000109.7V195 A196 S197 K201V195-N203 HydrophobicContact CG1-CB 3.98Å; V195-N203 VanDerWaalsContact CG1-OD1 3.3Å; V195-N203 WeakPolarHBondContact CG1-OD1 3.49Å; A196-N203 WeakPolarHBondContact O-CA 3.27Å; S197-N203 WeakPolarHBondContact CB-OD1 3.22Å; K201-N203 VanDerWaalsContact C-N 3.35Å; K201-N203 PolarHBondContact O-N 2.88Å
204V83.6Confident83.1Confident41 Ų4153.2 Ų53.225%0.24828%0.279CS..EExtended strand (participates in β ladder)trans-130.4142.4164.5178.90000107.5L124 F127 A196 K201L124-V204 HydrophobicContact CD2-CB 4.07Å; L124-V204 HydrophobicContact CD2-CG2 3.66Å; F127-V204 HydrophobicContact CE2-CG1 3.75Å; F127-V204 HydrophobicContact CZ-CG1 4.13Å; A196-V204 PolarHBondContact N-O 2.95Å; A196-V204 PolarHBondContact O-N 2.82Å; K201-V204 HydrophobicContact CD-CG2 4.17Å
205S89.7Confident81.8Confident52 Ų5255.1 Ų55.136%0.36430%0.298SS..EExtended strand (participates in β ladder)trans-144.3146.8-171.262.60000114.2F127 C194F127-S205 VanDerWaalsContact CE2-C 3.48Å; C194-S205 CarbonylContact O-C 3.56Å; C194-S205 WeakPolarHBondContact O-CA 3.41Å; C194-S205 WeakPolarHBondContact O-CB 3.33Å
206S91.3Very high80.3Confident16 Ų1660 Ų6011%0.11233%0.333CS..EExtended strand (participates in β ladder)trans-133.7157.9172.2-167.70000110.3E130 R193 C194E130-S206 VanDerWaalsContact OE1-CB 3.31Å; E130-S206 WeakPolarHBondContact OE1-CB 3.48Å; E130-S206 PolarHBondContact OE1-OG 3.43Å; R193-S206 WeakPolarHBondContact CA-O 3.33Å; C194-S206 PolarHBondContact N-O 2.78Å; C194-S206 PolarHBondContact O-N 3.17Å; C194-S206 VanDerWaalsContact O-N 3.1Å
207E92.6Very high78.5Confident82 Ų8264.4 Ų64.438%0.38336%0.355SS..EExtended strand (participates in β ladder)trans-135.3141.2-165.5-60.9-168.6123.900113.8L191 Y192 R193L191-E207 HydrophobicContact CD1-CB 4.25Å; L191-E207 HydrophobicContact CD2-CB 4.5Å; L191-E207 WeakPolarHBondContact CD2-OE1 3.19Å; L191-E207 HydrophobicContact CG-CB 4.34Å; Y192-E207 WeakPolarHBondContact O-CA 3.31Å; R193-E207 HydrophobicContact CB-CG 3.9Å; R193-E207 HydrophobicContact CG-CG 3.88Å; R193-E207 IonicContact CZ-OE1 2.76Å; R193-E207 IonicContact NE-OE1 2.95Å; R193-E207 PolarHBondContact NE-OE1 2.88Å; R193-E207 VanDerWaalsContact NH2-CD 3.28Å; R193-E207 IonicContact NH2-OE1 2.95Å; R193-E207 PolarHBondContact NH2-OE1 3Å; R193-E207 IonicContact NH2-OE2 2.82Å; R193-E207 PolarHBondContact NH2-OE2 2.82Å
208A93.1Very high76.9Confident2 Ų270.5 Ų70.52%0.01739%0.385CS..EExtended strand (participates in β ladder)trans-136.4152.4173.700000112.3P131 F144 Y192P131-A208 HydrophobicContact CB-CB 3.65Å; P131-A208 HydrophobicContact CG-CB 4.08Å; P131-A208 WeakPolarHBondContact O-CB 3.18Å; F144-A208 HydrophobicContact CD1-CB 3.83Å; F144-A208 HydrophobicContact CE1-CB 3.63Å; Y192-A208 PolarHBondContact N-O 2.87Å; Y192-A208 PolarHBondContact O-N 2.97Å
209R92.8Very high75.7Confident138 Ų13872.8 Ų72.852%0.52140%0.403SS..EExtended strand (participates in β ladder)trans-98.8132.6179-172.8171.2-178151.22.1111.3P133 Q134 E189 L191 I211P133-R209 WeakPolarHBondContact CA-O 3.35Å; Q134-R209 PolarHBondContact N-O 3.06Å; E189-R209 IonicContact OE1-NH2 3.5Å; L191-R209 HydrophobicContact CD1-CB 4.39Å; R209-I211 HydrophobicContact CG-CG1 4.24Å
210L92.6Very high75.2Confident0 Ų076.1 Ų76.10%042%0.424CS..EExtended strand (participates in β ladder)trans-88.3136.4161.8-170.756.8000109.1Q134 V136 A142 F144 I181 V184 D188 E189 G190 Y192 V212Q134-L210 HydrophobicContact CB-CD1 4.07Å; Q134-L210 CarbonylContact O-C 3.52Å; V136-L210 HydrophobicContact CB-CD1 4.31Å; V136-L210 HydrophobicContact CG2-CD1 3.9Å; A142-L210 HydrophobicContact CB-CD1 3.74Å; A142-L210 HydrophobicContact CB-CD2 4.25Å; F144-L210 HydrophobicContact CE2-CB 4.3Å; F144-L210 HydrophobicContact CZ-CB 3.9Å; F144-L210 HydrophobicContact CZ-CD1 4.26Å; I181-L210 HydrophobicContact CD1-CD2 4.2Å; V184-L210 HydrophobicContact CG1-CD2 4.13Å; D188-L210 HydrophobicContact CB-CD2 4.41Å; E189-L210 WeakPolarHBondContact CG-O 3.34Å; G190-L210 PolarHBondContact O-N 3.02Å; Y192-L210 HydrophobicContact CD2-CB 3.99Å; Y192-L210 HydrophobicContact CE2-CB 3.74Å; Y192-L210 HydrophobicContact CE2-CD2 4.02Å; L210-V212 HydrophobicContact CD2-CG2 4.27Å; L210-V212 HydrophobicContact CG-CG2 4.12Å
211I89.3Confident75.2Confident65 Ų6576.2 Ų76.233%0.33343%0.426SS..EExtended strand (participates in β ladder)trans-121.6124173.4-58.5177.4000107.7Q134 T135 V136 R209Q134-I211 PolarHBondContact O-N 2.88Å; T135-I211 WeakPolarHBondContact CA-O 3.43Å; T135-I211 HydrophobicContact CG2-CB 4.42Å; T135-I211 HydrophobicContact CG2-CG2 4.32Å; V136-I211 PolarHBondContact N-O 3.14Å; R209-I211 HydrophobicContact CG-CG1 4.24Å
212V88.1Confident75.9Confident3 Ų375.4 Ų75.42%0.01843%0.433CS..EExtended strand (participates in β ladder)trans-108.2116.6-175.8-174.50000110.9V136 T138 V184 K186 E189 L210V136-V212 WeakPolarHBondContact O-CA 3.23Å; T138-V212 HydrophobicContact CG2-CG1 3.7Å; V184-V212 HydrophobicContact CG1-CG1 4.09Å; V184-V212 HydrophobicContact CG1-CG2 3.6Å; K186-V212 HydrophobicContact CD-CB 4.02Å; K186-V212 HydrophobicContact CD-CG1 4.31Å; K186-V212 PolarHBondContact NZ-O 3.35Å; E189-V212 HydrophobicContact CB-CB 4.4Å; E189-V212 HydrophobicContact CB-CG2 3.93Å; E189-V212 HydrophobicContact CG-CG2 4.39Å; E189-V212 PolarHBondContact OE2-N 2.83Å; E189-V212 VanDerWaalsContact OE2-N 3.08Å; L210-V212 HydrophobicContact CD2-CG2 4.27Å; L210-V212 HydrophobicContact CG-CG2 4.12Å
213T80.3Confident77Confident57 Ų5766.4 Ų66.435%0.3540%0.395SS..EExtended strand (participates in β ladder)trans-100.9138.3-178.951.30000111.5T135 V136 T137 T138T135-T213 HydrophobicContact CG2-CG2 3.7Å; V136-T213 PolarHBondContact O-N 2.97Å; V136-T213 PolarHBondContact O-OG1 2.89Å; T137-T213 CarbonylContact C-O 3.59Å; T137-T213 VanDerWaalsContact CA-O 3.24Å; T137-T213 WeakPolarHBondContact CA-O 3.47Å; T137-T213 WeakPolarHBondContact CG2-OG1 3.48Å; T138-T213 PolarHBondContact N-O 3.4Å
214T67.8Low77.4Confident119 Ų11965 Ų6573%0.7339%0.389SS*.  trans-94.7101.517549.50000109.1T138T138-T214 HydrophobicContact CG2-CG2 3.94Å
215G65.2Low77.6Confident39 Ų3964.4 Ų64.440%0.40239%0.385SS..  trans-158.9128.7-179.400000113.2I217G215-I217 PolarHBondContact O-N 2.85Å
216S57.4Low77.3Confident112 Ų11265.4 Ų65.478%0.78339%0.388SS*.  trans-82105.5170.651.70000109.8
217I52.1Low76.9Confident92 Ų9265.7 Ų65.747%0.47239%0.392SS..  trans-9990.8176.3-59.7178.6000108.4T137 G215 S219 Q249T137-I217 HydrophobicContact CG2-CD1 4.06Å; G215-I217 PolarHBondContact O-N 2.85Å; I217-S219 WeakPolarHBondContact CG2-OG 3.41Å; I217-S219 PolarHBondContact O-N 2.98Å; I217-Q249 PolarHBondContact O-NE2 2.8Å
218D50.5Low76.7Confident156 Ų15664.9 Ų64.983%0.83439%0.394SS*.  trans-83.737.1174.6-78.2-44000112.6P220D218-P220 WeakPolarHBondContact O-CD 3.06Å
219S57.7Low76.7Confident71 Ų7165.3 Ų65.350%0.49740%0.396SS..  trans-95.9106.8174.366.40000110.5I217 G221 Q249I217-S219 WeakPolarHBondContact CG2-OG 3.41Å; I217-S219 PolarHBondContact O-N 2.98Å; S219-G221 PolarHBondContact O-N 2.77Å; S219-Q249 WeakPolarHBondContact O-CB 3.36Å; S219-Q249 WeakPolarHBondContact O-CG 3.44Å
220P62.8Low76.6Confident116 Ų11666.2 Ų66.275%0.75341%0.406SS*.  trans-68125.5178.827-33.6000111D218D218-P220 WeakPolarHBondContact O-CD 3.06Å
221G68Low76.6Confident20 Ų2071.7 Ų71.721%0.20644%0.436CS..EExtended strand (participates in β ladder)trans-115.3158.9179.100000112.1S219 K294S219-G221 PolarHBondContact O-N 2.77Å; G221-K294 PolarHBondContact O-NZ 3.26Å
222P79.2Confident76.5Confident95 Ų9570 Ų7062%0.61743%0.431SS*.EExtended strand (participates in β ladder)trans-66.4157.1170.830.4-34.8000110.7V224P222-V224 HydrophobicContact CG-CG2 4.4Å
223V85.6Confident76.5Confident12 Ų1274.6 Ų74.67%0.07346%0.459CS..EExtended strand (participates in β ladder)trans-87.9127169.9178.30000110A246 Q247 P252 A292 K294 V301V223-A246 HydrophobicContact CG1-CB 4.48Å; V223-Q247 WeakPolarHBondContact CA-O 3.48Å; V223-P252 HydrophobicContact CB-CG 4.33Å; V223-P252 HydrophobicContact CG1-CB 3.83Å; V223-P252 HydrophobicContact CG1-CG 3.58Å; V223-P252 HydrophobicContact CG2-CB 4.38Å; V223-P252 HydrophobicContact CG2-CG 3.87Å; V223-A292 HydrophobicContact CG1-CB 4.2Å; V223-K294 HydrophobicContact CG2-CB 3.51Å; V223-K294 HydrophobicContact CG2-CD 3.97Å; V223-K294 HydrophobicContact CG2-CG 3.76Å; V223-V301 HydrophobicContact CG1-CG2 3.81Å
224V86.8Confident76.9Confident77 Ų7772.9 Ų72.947%0.46745%0.449SS..EExtended strand (participates in β ladder)trans-134.6134.2-179.2-174.80000108.8P222 V226 A246 Q247P222-V224 HydrophobicContact CG-CG2 4.4Å; V224-V226 PolarHBondContact O-N 2.87Å; V224-A246 CarbonylContact O-C 3.6Å; V224-A246 VanDerWaalsContact O-CA 3.27Å; V224-A246 WeakPolarHBondContact O-CA 3.28Å; V224-Q247 PolarHBondContact N-O 3.48Å; V224-Q247 PolarHBondContact O-N 3.28Å
225I87.1Confident77.8Confident29 Ų2969.6 Ų69.615%0.14943%0.428CS..EExtended strand (participates in β ladder)trans-78.8116.5167.2-69.5164000106.9P228 V245 A246 A292 V301 A303I225-P228 HydrophobicContact CG2-CB 3.84Å; I225-V245 CarbonylContact C-O 3.56Å; I225-A246 HydrophobicContact CG1-CB 4.17Å; I225-A292 HydrophobicContact CG1-CB 4.31Å; I225-V301 HydrophobicContact CD1-CB 4.32Å; I225-V301 HydrophobicContact CD1-CG2 3.93Å; I225-V301 HydrophobicContact CG1-CG2 3.76Å; I225-A303 HydrophobicContact CD1-CB 3.89Å; I225-A303 HydrophobicContact CG2-CB 4.47Å
226V82.4Confident78.9Confident72 Ų7271.2 Ų71.244%0.43643%0.428SS..EExtended strand (participates in β ladder)trans-97.2-23.9-177.6-64.30000112.6V224 V245 Q247V224-V226 PolarHBondContact O-N 2.87Å; V226-V245 HydrophobicContact CG2-CB 4.1Å; V226-V245 HydrophobicContact CG2-CG1 3.84Å; V226-V245 WeakPolarHBondContact CG2-O 3.01Å; V226-V245 PolarHBondContact N-O 2.82Å; V226-Q247 HydrophobicContact CG1-CB 4.14Å; V226-Q247 HydrophobicContact CG1-CG 3.88Å; V226-Q247 HydrophobicContact CG2-CG 3.84Å
227A82.9Confident80.1Confident22 Ų2267.8 Ų67.818%0.18241%0.409CS..EExtended strand (participates in β ladder)trans-130.296.4167.700000107.8E243 C244 V245A227-E243 HydrophobicContact CB-CG 4.21Å; A227-C244 CarbonylContact O-C 3.19Å; A227-C244 VanDerWaalsContact O-CA 3.27Å; A227-C244 WeakPolarHBondContact O-CA 3.39Å; A227-V245 HydrophobicContact CB-CB 4.02Å; A227-V245 HydrophobicContact CB-CG2 4.27Å; A227-V245 PolarHBondContact N-O 2.85Å; A227-V245 PolarHBondContact O-N 2.82Å
228P89.8Confident81.5Confident66 Ų6668.5 Ų68.543%0.42941%0.41SS..  trans-75.8155.5173.531.9-33.9000110.6I225 A303I225-P228 HydrophobicContact CG2-CB 3.84Å; P228-A303 HydrophobicContact CB-CB 3.7Å
229P92.1Very high83Confident10 Ų1064.1 Ų64.17%0.06539%0.391CS..  trans-63.6150170.427.9-34.1000110.9M242 E243 W256 C290 A303 A305P229-M242 HydrophobicContact CB-SD 4.44Å; P229-E243 VanDerWaalsContact CA-O 3.24Å; P229-E243 WeakPolarHBondContact CA-O 3.19Å; P229-E243 WeakPolarHBondContact CB-O 3.42Å; P229-E243 WeakPolarHBondContact CD-O 3.44Å; P229-E243 VanDerWaalsContact N-O 3.13Å; P229-W256 HydrophobicContact CB-CH2 3.88Å; P229-W256 HydrophobicContact CB-CZ3 4.34Å; P229-W256 HydrophobicContact CG-CH2 4.04Å; P229-W256 HydrophobicContact CG-CZ3 4.25Å; P229-C290 HydrophobicContact CG-CB 4.43Å; P229-A303 HydrophobicContact CG-CB 4.42Å; P229-A305 HydrophobicContact CB-CB 3.76Å; P229-A305 HydrophobicContact CG-CB 4.13Å
230Q91.2Very high84.3Confident158 Ų15860.9 Ų60.974%0.73837%0.368SS*.  trans-118.6151.8-179.9-58.2-172.135.500110.2A232 A305Q230-A232 PolarHBondContact O-N 2.81Å; Q230-A305 VanDerWaalsContact C-CB 3.41Å; Q230-A305 WeakPolarHBondContact O-CB 3.48Å
231N91.9Very high85.4Confident115 Ų11557 Ų5762%0.61534%0.342SS*.  trans-61.1133176.7-69.9-1.5000109.9A305 E306N231-A305 WeakPolarHBondContact OD1-CA 3.42Å; N231-E306 VanDerWaalsContact CA-O 3.31Å; N231-E306 WeakPolarHBondContact CA-O 3.26Å; N231-E306 PolarHBondContact OD1-N 3.14Å
232A87.1Confident86.4Confident28 Ų2856.2 Ų56.223%0.23133%0.333CS..EExtended strand (participates in β ladder)trans-132.7137.3-174.800000110.9Q230 V234 E306 L307 H308Q230-A232 PolarHBondContact O-N 2.81Å; A232-V234 HydrophobicContact CB-CG2 4.5Å; A232-E306 PolarHBondContact N-O 2.94Å; A232-L307 HydrophobicContact CB-CD1 4.13Å; A232-L307 WeakPolarHBondContact O-CA 3.4Å; A232-H308 PolarHBondContact O-N 2.87Å
233T89.1Confident86.6Confident100 Ų10052.8 Ų52.861%0.61331%0.309SS*.EExtended strand (participates in β ladder)trans-111.9115.4169.8-58.90000108.2H308 A310T233-H308 WeakPolarHBondContact CA-O 3.18Å; T233-H308 HydrophobicContact CG2-CB 4.23Å; T233-A310 HydrophobicContact CG2-CB 3.74Å
234V88.3Confident86.7Confident21 Ų2152.2 Ų52.213%0.12731%0.306CS..EExtended strand (participates in β ladder)trans-117.7135.7-176.4-178.40000109.6A232 H238 A240 T280 L307 H308 V309 A310A232-V234 HydrophobicContact CB-CG2 4.5Å; V234-H238 HydrophobicContact CG1-CB 3.85Å; V234-A240 HydrophobicContact CB-CB 4.41Å; V234-A240 HydrophobicContact CG1-CB 4.38Å; V234-A240 HydrophobicContact CG2-CB 3.84Å; V234-T280 HydrophobicContact CB-CG2 4.25Å; V234-T280 HydrophobicContact CG1-CG2 3.83Å; V234-L307 HydrophobicContact CB-CD1 4.33Å; V234-L307 HydrophobicContact CG2-CD1 3.86Å; V234-H308 PolarHBondContact N-O 2.93Å; V234-V309 CarbonylContact O-C 3.58Å; V234-V309 WeakPolarHBondContact O-CA 3.39Å; V234-A310 PolarHBondContact O-N 3.39Å
235V87.2Confident86.5Confident50 Ų5049.9 Ų49.930%0.30329%0.291SS..EExtended strand (participates in β ladder)trans-72.6130.6177.1-179.20000109.2G237 H238 T280 A310 L388V235-G237 PolarHBondContact O-N 2.84Å; V235-H238 VanDerWaalsContact O-CB 3.23Å; V235-H238 WeakPolarHBondContact O-CB 3.25Å; V235-H238 PolarHBondContact O-N 2.81Å; V235-H238 PolarHBondContact O-ND1 2.93Å; V235-H238 VanDerWaalsContact O-ND1 3.15Å; V235-T280 PolarHBondContact O-OG1 2.91Å; V235-A310 WeakPolarHBondContact CA-O 3.45Å; V235-L388 HydrophobicContact CG1-CD1 4.35Å; V235-L388 HydrophobicContact CG2-CD1 4.03Å; V235-L388 HydrophobicContact CG2-CD2 3.83Å
236L87.1Confident86.4Confident74 Ų7449 Ų4939%0.38729%0.289SS..THydrogen-bonded Turntrans-44.4132177.4-175145.3000111.7R282 V309 A310L236-R282 HydrophobicContact CD1-CG 3.77Å; L236-V309 HydrophobicContact CB-CG1 4.03Å; L236-V309 HydrophobicContact CD1-CG1 4.49Å; L236-A310 PolarHBondContact N-O 3.25Å
237G82.9Confident86.3Confident39 Ų3951.5 Ų51.540%0.40230%0.296SS..THydrogen-bonded Turntrans90.4-17.5-173.300000115.4V235 D279 T280V235-G237 PolarHBondContact O-N 2.84Å; G237-D279 WeakPolarHBondContact CA-OD1 3.31Å; G237-T280 PolarHBondContact N-O 2.85Å; G237-T280 PolarHBondContact N-OG1 3.31Å
238H81.9Confident86Confident107 Ų10751.4 Ų51.450%0.49530%0.297SS..SBendtrans-88.5155.9-179.9-65.667.2000111.6V234 V235 T280V234-H238 HydrophobicContact CG1-CB 3.85Å; V235-H238 VanDerWaalsContact O-CB 3.23Å; V235-H238 WeakPolarHBondContact O-CB 3.25Å; V235-H238 PolarHBondContact O-N 2.81Å; V235-H238 PolarHBondContact O-ND1 2.93Å; V235-H238 VanDerWaalsContact O-ND1 3.15Å; H238-T280 PolarHBondContact N-OG1 2.03Å; H238-T280 VanDerWaalsContact O-CB 3.3Å; H238-T280 WeakPolarHBondContact O-CB 3.49Å; H238-T280 WeakPolarHBondContact O-CG2 3.21Å; H238-T280 PolarHBondContact O-N 3.3Å; H238-T280 VanDerWaalsContact O-N 3.08Å; H238-T280 PolarHBondContact O-OG1 3.15Å
239P81.3Confident85.2Confident65 Ų6551.8 Ų51.842%0.42229%0.293SS..  trans-70.3147.2175.328.8-35.2000112.1I277P239-I277 CarbonylContact C-O 3.54Å; P239-I277 WeakPolarHBondContact CA-O 3.11Å; P239-I277 WeakPolarHBondContact CB-O 3.48Å
240A85.6Confident84.3Confident3 Ų354.5 Ų54.53%0.02531%0.311CS..EExtended strand (participates in β ladder)trans-121.2141170.600000110.4V234 I277 T280 L307V234-A240 HydrophobicContact CB-CB 4.41Å; V234-A240 HydrophobicContact CG1-CB 4.38Å; V234-A240 HydrophobicContact CG2-CB 3.84Å; A240-I277 HydrophobicContact CB-CB 4.18Å; A240-I277 HydrophobicContact CB-CG1 4.42Å; A240-I277 PolarHBondContact N-O 3.39Å; A240-I277 PolarHBondContact O-N 2.78Å; A240-T280 HydrophobicContact CB-CG2 3.63Å; A240-L307 HydrophobicContact CB-CD1 4.06Å; A240-L307 HydrophobicContact CB-CD2 4.19Å
241V86.7Confident83.6Confident34 Ų3452.1 Ų52.121%0.20630%0.298CS..EExtended strand (participates in β ladder)trans-129.8129.3176.4-177.90000108.3L174 P175 V276L174-V241 HydrophobicContact CD1-CG1 4.17Å; L174-V241 HydrophobicContact CD2-CG1 4.41Å; P175-V241 HydrophobicContact CB-CG2 4.13Å; P175-V241 HydrophobicContact CG-CG2 3.97Å; V241-V276 HydrophobicContact CG1-CG2 4.39Å; V241-V276 HydrophobicContact CG2-CG1 4.48Å; V241-V276 HydrophobicContact CG2-CG2 4.5Å
242M87.7Confident83.3Confident4 Ų447.2 Ų47.22%0.0227%0.272CS..EExtended strand (participates in β ladder)trans-120.3107.5174.6-65.3-104.1-84.500107.5P229 W256 N274 L275 Y288 A305P229-M242 HydrophobicContact CB-SD 4.44Å; M242-W256 HydrophobicContact CB-CH2 3.72Å; M242-W256 HydrophobicContact CB-CZ2 4.44Å; M242-W256 HydrophobicContact CB-CZ3 4.22Å; M242-W256 VanDerWaalsContact O-CZ2 3.23Å; M242-W256 WeakPolarHBondContact O-CZ2 3.43Å; M242-N274 WeakPolarHBondContact O-CA 3.32Å; M242-L275 HydrophobicContact CB-CB 4.31Å; M242-L275 HydrophobicContact CB-CD2 4.47Å; M242-L275 PolarHBondContact N-O 2.86Å; M242-L275 PolarHBondContact O-N 2.67Å; M242-Y288 HydrophobicContact CE-CD2 3.81Å; M242-Y288 HydrophobicContact CE-CG 3.99Å; M242-A305 HydrophobicContact CE-CB 3.95Å; M242-A305 HydrophobicContact SD-CB 4.13Å
243E84.3Confident83.2Confident23 Ų2351.7 Ų51.711%0.10729%0.292CS..  trans-79.4146.1-179.4176.9154.8-140.300111.1R143 Q180 A227 P229 V245 N274R143-E243 IonicContact CZ-OE1 2.65Å; R143-E243 IonicContact CZ-OE2 3.79Å; R143-E243 IonicContact NE-OE1 3.35Å; R143-E243 PolarHBondContact NE-OE1 3.18Å; R143-E243 IonicContact NE-OE2 3.13Å; R143-E243 IonicContact NH2-OE1 2.71Å; R143-E243 IonicContact NH2-OE2 2.72Å; R143-E243 PolarHBondContact NH2-OE2 3.36Å; Q180-E243 PolarHBondContact NE2-OE1 3.08Å; A227-E243 HydrophobicContact CB-CG 4.21Å; P229-E243 VanDerWaalsContact CA-O 3.24Å; P229-E243 WeakPolarHBondContact CA-O 3.19Å; P229-E243 WeakPolarHBondContact CB-O 3.42Å; P229-E243 WeakPolarHBondContact CD-O 3.44Å; P229-E243 VanDerWaalsContact N-O 3.13Å; E243-V245 HydrophobicContact CG-CG2 3.86Å; E243-V245 VanDerWaalsContact OE1-CG2 3.24Å; E243-V245 WeakPolarHBondContact OE1-CG2 3.47Å; E243-N274 WeakPolarHBondContact CA-OD1 3.35Å; E243-N274 WeakPolarHBondContact CG-OD1 3.4Å
244C87.6Confident83.2Confident0 Ų047.9 Ų47.90%027%0.268CS..  trans-151.183.7168.1-172.30000113.2A227 V254 W256 T273 N274 C290A227-C244 CarbonylContact O-C 3.19Å; A227-C244 VanDerWaalsContact O-CA 3.27Å; A227-C244 WeakPolarHBondContact O-CA 3.39Å; C244-V254 HydrophobicContact CB-CG1 4.47Å; C244-W256 HydrophobicContact CB-CH2 3.95Å; C244-W256 HydrophobicContact CB-CZ2 3.41Å; C244-W256 VanDerWaalsContact CB-CZ2 3.41Å; C244-T273 WeakPolarHBondContact O-CB 3.28Å; C244-N274 PolarHBondContact N-OD1 2.9Å; C244-C290 HydrophobicContact CB-CB 3.49Å; C244-C290 VanDerWaalsContact CB-CB 3.49Å; C244-C290 WeakPolarHBondContact CB-SG 3.38Å; C244-C290 WeakPolarHBondContact SG-CB 3.49Å; C244-C290 CovalentContact SG-SG 2Å; C244-C290 PolarHBondContact SG-SG 2.83Å
245V82.4Confident83.2Confident27 Ų2748.9 Ų48.916%0.16428%0.276CS..EExtended strand (participates in β ladder)trans-90.9126.9-179.2-174.80000110.5I225 V226 A227 E243I225-V245 CarbonylContact C-O 3.56Å; V226-V245 HydrophobicContact CG2-CB 4.1Å; V226-V245 HydrophobicContact CG2-CG1 3.84Å; V226-V245 WeakPolarHBondContact CG2-O 3.01Å; V226-V245 PolarHBondContact N-O 2.82Å; A227-V245 HydrophobicContact CB-CB 4.02Å; A227-V245 HydrophobicContact CB-CG2 4.27Å; A227-V245 PolarHBondContact N-O 2.85Å; A227-V245 PolarHBondContact O-N 2.82Å; E243-V245 HydrophobicContact CG-CG2 3.86Å; E243-V245 VanDerWaalsContact OE1-CG2 3.24Å; E243-V245 WeakPolarHBondContact OE1-CG2 3.47Å
246A84.4Confident83.5Confident12 Ų1247.8 Ų47.810%0.09927%0.267CS..EExtended strand (participates in β ladder)trans-120.6136.7174.200000111.9V223 V224 I225 P252 V254 A292V223-A246 HydrophobicContact CG1-CB 4.48Å; V224-A246 CarbonylContact O-C 3.6Å; V224-A246 VanDerWaalsContact O-CA 3.27Å; V224-A246 WeakPolarHBondContact O-CA 3.28Å; I225-A246 HydrophobicContact CG1-CB 4.17Å; A246-P252 HydrophobicContact CB-CB 4.07Å; A246-P252 HydrophobicContact CB-CG 4.09Å; A246-V254 HydrophobicContact CB-CG2 4.27Å; A246-A292 HydrophobicContact CB-CB 3.39Å
247Q80.1Confident83.8Confident123 Ų12347.1 Ų47.158%0.57527%0.268SS*.EExtended strand (participates in β ladder)trans-106.2153.4174.8-66.9-178.75.500110.5V223 V224 V226V223-Q247 WeakPolarHBondContact CA-O 3.48Å; V224-Q247 PolarHBondContact N-O 3.48Å; V224-Q247 PolarHBondContact O-N 3.28Å; V226-Q247 HydrophobicContact CG1-CB 4.14Å; V226-Q247 HydrophobicContact CG1-CG 3.88Å; V226-Q247 HydrophobicContact CG2-CG 3.84Å
248G76.8Confident84.3Confident21 Ų2146.5 Ų46.522%0.21625%0.254CS..EExtended strand (participates in β ladder)trans162.5162.2-179.900000112.4P250 K251G248-P250 CarbonylContact C-O 3.58Å; G248-P250 CarbonylContact O-C 3.49Å; G248-K251 WeakPolarHBondContact O-CA 3Å; G248-K251 PolarHBondContact O-N 2.76Å
249Q74.2Confident84.8Confident73 Ų7347.7 Ų47.734%0.34126%0.26SS..EExtended strand (participates in β ladder)trans-126.9115-179.3-81.9-91.531.900108.6I217 S219 K294I217-Q249 PolarHBondContact O-NE2 2.8Å; S219-Q249 WeakPolarHBondContact O-CB 3.36Å; S219-Q249 WeakPolarHBondContact O-CG 3.44Å; Q249-K294 WeakPolarHBondContact O-CE 3.35Å
250P73.7Confident85.3Confident67 Ų6747.9 Ų47.944%0.43526%0.257SS..SBendcis-66.8161-5.129.8-35.6000113G248 P295G248-P250 CarbonylContact C-O 3.58Å; G248-P250 CarbonylContact O-C 3.49Å; P250-P295 HydrophobicContact CG-CB 4.27Å; P250-P295 HydrophobicContact CG-CG 4.39Å
251K76.3Confident85.4Confident109 Ų10951.1 Ų51.147%0.47429%0.291SS..PPolyproline II helixtrans-50.1127.4-174.3-174.8173.7178.6178.10112.1S141 G248 P295S141-K251 PolarHBondContact OG-NZ 2.84Å; G248-K251 WeakPolarHBondContact O-CA 3Å; G248-K251 PolarHBondContact O-N 2.76Å; K251-P295 VanDerWaalsContact O-CD 3.28Å; K251-P295 WeakPolarHBondContact O-CD 3.48Å; K251-P295 WeakPolarHBondContact O-CG 3.23Å
252P84.1Confident85.4Confident12 Ų1255.4 Ų55.48%0.07831%0.307CS..PPolyproline II helixtrans-64.6147.4-179-19.531.8000112.9V223 A246 A292 N293V223-P252 HydrophobicContact CB-CG 4.33Å; V223-P252 HydrophobicContact CG1-CB 3.83Å; V223-P252 HydrophobicContact CG1-CG 3.58Å; V223-P252 HydrophobicContact CG2-CB 4.38Å; V223-P252 HydrophobicContact CG2-CG 3.87Å; A246-P252 HydrophobicContact CB-CB 4.07Å; A246-P252 HydrophobicContact CB-CG 4.09Å; P252-A292 HydrophobicContact CB-CB 4.23Å; P252-N293 CarbonylContact C-O 3.54Å; P252-N293 WeakPolarHBondContact CA-O 3.22Å
253L85.7Confident85.4Confident122 Ų12260.8 Ų60.864%0.63934%0.342SS*.EExtended strand (participates in β ladder)trans-95.4114.2168.7-172.772.4000109.5N293L253-N293 PolarHBondContact N-O 2.83Å; L253-N293 PolarHBondContact O-N 2.73Å
254V88.6Confident85.6Confident19 Ų1961.9 Ų61.912%0.11535%0.348CS..EExtended strand (participates in β ladder)trans-84.5142.5176.9175.50000110.3C244 A246 T273 R291 A292C244-V254 HydrophobicContact CB-CG1 4.47Å; A246-V254 HydrophobicContact CB-CG2 4.27Å; V254-T273 HydrophobicContact CB-CG2 4.16Å; V254-T273 HydrophobicContact CG2-CG2 3.88Å; V254-R291 CarbonylContact C-O 3.56Å; V254-A292 HydrophobicContact CG2-CB 4.17Å
255S89.3Confident85.6Confident43 Ų4363.7 Ų63.730%0.30136%0.361SS..EExtended strand (participates in β ladder)trans-145147.7178.851.70000109.5R291 N293S255-R291 PolarHBondContact N-O 2.96Å; S255-R291 PolarHBondContact O-N 3.4Å; S255-R291 PolarHBondContact OG-O 2.99Å; S255-N293 PolarHBondContact OG-ND2 3.36Å
256W93.6Very high85.7Confident27 Ų2769.4 Ų69.410%0.10240%0.396CS..EExtended strand (participates in β ladder)trans-117.2147-179.3-72.489000111.5P229 M242 C244 I264 T273 L275 V289 C290P229-W256 HydrophobicContact CB-CH2 3.88Å; P229-W256 HydrophobicContact CB-CZ3 4.34Å; P229-W256 HydrophobicContact CG-CH2 4.04Å; P229-W256 HydrophobicContact CG-CZ3 4.25Å; M242-W256 HydrophobicContact CB-CH2 3.72Å; M242-W256 HydrophobicContact CB-CZ2 4.44Å; M242-W256 HydrophobicContact CB-CZ3 4.22Å; M242-W256 VanDerWaalsContact O-CZ2 3.23Å; M242-W256 WeakPolarHBondContact O-CZ2 3.43Å; C244-W256 HydrophobicContact CB-CH2 3.95Å; C244-W256 HydrophobicContact CB-CZ2 3.41Å; C244-W256 VanDerWaalsContact CB-CZ2 3.41Å; W256-I264 HydrophobicContact CB-CD1 3.68Å; W256-I264 WeakPolarHBondContact O-CD1 3.45Å; W256-T273 PolarHBondContact NE1-O 2.81Å; W256-L275 HydrophobicContact CB-CD1 4.04Å; W256-L275 HydrophobicContact CD2-CB 3.81Å; W256-L275 HydrophobicContact CD2-CD1 3.92Å; W256-L275 HydrophobicContact CE3-CB 4.19Å; W256-L275 HydrophobicContact CE3-CD1 3.92Å; W256-L275 HydrophobicContact CG-CB 4.21Å; W256-L275 HydrophobicContact CG-CD1 4Å; W256-L275 HydrophobicContact CH2-CB 4.27Å; W256-L275 HydrophobicContact CZ2-CB 3.95Å; W256-L275 HydrophobicContact CZ3-CB 4.41Å; W256-V289 WeakPolarHBondContact CA-O 3.43Å; W256-C290 HydrophobicContact CD2-CB 4.15Å; W256-C290 HydrophobicContact CE3-CB 4Å; W256-C290 HydrophobicContact CH2-CB 3.96Å; W256-C290 HydrophobicContact CZ2-CB 4.07Å; W256-C290 HydrophobicContact CZ3-CB 3.91Å
257S92.4Very high85.7Confident60 Ų6071.4 Ų71.442%0.4241%0.405SS..EExtended strand (participates in β ladder)trans-146.4159.7172.257.30000110.6V289S257-V289 PolarHBondContact N-O 3.2Å; S257-V289 PolarHBondContact O-N 3.37Å
258R93.6Very high85.9Confident25 Ų2566.2 Ų66.29%0.09438%0.381CS..EExtended strand (participates in β ladder)trans-89142.4167.5-63.5176.357.5109.61.6110.4D260 G261 I264 H283 A285 Y288R258-D260 WeakPolarHBondContact CB-OD1 3.15Å; R258-D260 IonicContact CZ-OD1 2.65Å; R258-D260 IonicContact CZ-OD2 3.57Å; R258-D260 IonicContact NE-OD1 3.05Å; R258-D260 PolarHBondContact NE-OD1 3.36Å; R258-D260 IonicContact NE-OD2 2.68Å; R258-D260 PolarHBondContact NE-OD2 3.44Å; R258-D260 IonicContact NH2-OD1 3.16Å; R258-D260 IonicContact NH2-OD2 3.65Å; R258-D260 PolarHBondContact NH2-OD2 3.08Å; R258-D260 PolarHBondContact O-N 2.6Å; R258-G261 PolarHBondContact O-N 2.88Å; R258-I264 HydrophobicContact CG-CG1 4.06Å; R258-H283 PolarHBondContact NH1-O 3.11Å; R258-A285 PolarHBondContact NH1-O 2.89Å; R258-A285 PolarHBondContact NH2-O 3.16Å; R258-Y288 HydrophobicContact CG-CD1 4.13Å; R258-Y288 HydrophobicContact CG-CE1 4.02Å
259Q93.3Very high86.1Confident132 Ų13267.8 Ų67.862%0.61739%0.385SS*.THydrogen-bonded Turntrans-67.6-26.7177.2-171174.6-9.800112.3G261 V287 V289Q259-G261 PolarHBondContact O-N 2.81Å; Q259-V287 HydrophobicContact CB-CB 3.99Å; Q259-V287 HydrophobicContact CB-CG1 4.27Å; Q259-V287 PolarHBondContact N-O 3.39Å; Q259-V289 HydrophobicContact CB-CG2 3.96Å
260D90.2Very high86.4Confident70 Ų7067.7 Ų67.737%0.37439%0.389SS..THydrogen-bonded Turntrans-76.34.3176.570.5-4.1000114.1R258 K262R258-D260 WeakPolarHBondContact CB-OD1 3.15Å; R258-D260 IonicContact CZ-OD1 2.65Å; R258-D260 IonicContact CZ-OD2 3.57Å; R258-D260 IonicContact NE-OD1 3.05Å; R258-D260 PolarHBondContact NE-OD1 3.36Å; R258-D260 IonicContact NE-OD2 2.68Å; R258-D260 PolarHBondContact NE-OD2 3.44Å; R258-D260 IonicContact NH2-OD1 3.16Å; R258-D260 IonicContact NH2-OD2 3.65Å; R258-D260 PolarHBondContact NH2-OD2 3.08Å; R258-D260 PolarHBondContact O-N 2.6Å; D260-K262 PolarHBondContact O-N 2.97Å; D260-K262 VanDerWaalsContact O-N 3.12Å; D260-K262 WeakPolarHBondContact OD1-CB 3.21Å; D260-K262 PolarHBondContact OD1-N 3.18Å; D260-K262 WeakPolarHBondContact OD2-CD 3.3Å; D260-K262 WeakPolarHBondContact OD2-CE 3.35Å; D260-K262 IonicContact OD2-NZ 3.62Å; D260-K262 PolarHBondContact OD2-NZ 2.9Å
261G87.4Confident86.2Confident71 Ų7167.4 Ų67.473%0.73238%0.383SS*.SBendtrans70.6-0.3178.600000114.9R258 Q259R258-G261 PolarHBondContact O-N 2.88Å; Q259-G261 PolarHBondContact O-N 2.81Å
262K87.3Confident86Confident124 Ų12464.7 Ų64.754%0.53938%0.381SS..PPolyproline II helixtrans-71.7148.7175-62.4-178.2-166.4129.20110.1D260D260-K262 PolarHBondContact O-N 2.97Å; D260-K262 VanDerWaalsContact O-N 3.12Å; D260-K262 WeakPolarHBondContact OD1-CB 3.21Å; D260-K262 PolarHBondContact OD1-N 3.18Å; D260-K262 WeakPolarHBondContact OD2-CD 3.3Å; D260-K262 WeakPolarHBondContact OD2-CE 3.35Å; D260-K262 IonicContact OD2-NZ 3.62Å; D260-K262 PolarHBondContact OD2-NZ 2.9Å
263P87.5Confident85.7Confident117 Ų11765 Ų6576%0.7638%0.383SS*.PPolyproline II helixtrans-58.2146.8169.726.7-34.5000110.2
264I89Confident85.6Confident46 Ų4659.2 Ų59.224%0.23635%0.352CS..PPolyproline II helixtrans-65.1134166.3-68.7173.6000107.4W256 R258 V268 L275 Y288W256-I264 HydrophobicContact CB-CD1 3.68Å; W256-I264 WeakPolarHBondContact O-CD1 3.45Å; R258-I264 HydrophobicContact CG-CG1 4.06Å; I264-V268 HydrophobicContact CG2-CB 3.6Å; I264-V268 HydrophobicContact CG2-CG1 3.66Å; I264-V268 HydrophobicContact CG2-CG2 4.16Å; I264-L275 HydrophobicContact CD1-CD1 4.11Å; I264-Y288 HydrophobicContact CG1-CE1 4.4Å
265S87.5Confident85.5Confident38 Ų3858.3 Ų58.327%0.26635%0.347SS..PPolyproline II helixtrans-64.7150-177.8-1670000111.4D267 V268S265-D267 VanDerWaalsContact C-N 3.25Å; S265-D267 WeakPolarHBondContact CB-OD1 3.45Å; S265-D267 PolarHBondContact O-N 3.49Å; S265-D267 PolarHBondContact OG-OD1 3.03Å; S265-V268 VanDerWaalsContact O-CB 3.32Å; S265-V268 WeakPolarHBondContact O-CB 3.47Å; S265-V268 PolarHBondContact O-N 3.01Å
266T84.8Confident85.3Confident147 Ų14756.8 Ų56.890%0.90234%0.336SS*.THydrogen-bonded Turntrans-71.6-17.2-173.350.50000114.1V268T266-V268 VanDerWaalsContact C-N 3.3Å
267D83.6Confident85.1Confident53 Ų5355.5 Ų55.528%0.28333%0.331SS..THydrogen-bonded Turntrans-84.61.4171.252.8-18.3000113.7S265 R281 H284S265-D267 VanDerWaalsContact C-N 3.25Å; S265-D267 WeakPolarHBondContact CB-OD1 3.45Å; S265-D267 PolarHBondContact O-N 3.49Å; S265-D267 PolarHBondContact OG-OD1 3.03Å; D267-R281 IonicContact OD2-NH1 2.78Å; D267-H284 IonicContact OD1-CE1 3.57Å; D267-H284 IonicContact OD1-NE2 2.65Å; D267-H284 PolarHBondContact OD1-NE2 3.49Å; D267-H284 IonicContact OD2-CE1 3.6Å; D267-H284 PolarHBondContact OD2-CE1 3.45Å; D267-H284 IonicContact OD2-NE2 2.8Å; D267-H284 PolarHBondContact OD2-NE2 3.36Å
268V85.4Confident84.6Confident14 Ų1461.7 Ų61.79%0.08535%0.345CS..EExtended strand (participates in β ladder)trans-95.2121.7170.4-179.20000109.8I264 S265 T266 L275 I277I264-V268 HydrophobicContact CG2-CB 3.6Å; I264-V268 HydrophobicContact CG2-CG1 3.66Å; I264-V268 HydrophobicContact CG2-CG2 4.16Å; S265-V268 VanDerWaalsContact O-CB 3.32Å; S265-V268 WeakPolarHBondContact O-CB 3.47Å; S265-V268 PolarHBondContact O-N 3.01Å; T266-V268 VanDerWaalsContact C-N 3.3Å; V268-L275 HydrophobicContact CG1-CD1 3.87Å; V268-L275 HydrophobicContact CG1-CD2 3.57Å; V268-L275 HydrophobicContact CG1-CG 3.46Å; V268-L275 VanDerWaalsContact CG1-CG 3.46Å; V268-I277 HydrophobicContact CG1-CG1 4.15Å; V268-I277 HydrophobicContact CG2-CD1 4.05Å; V268-I277 HydrophobicContact CG2-CG1 4.02Å
269I81.3Confident84.2Confident55 Ų5563.4 Ų63.428%0.28236%0.356SS..EExtended strand (participates in β ladder)trans-101.5123.4-175.2-50.5175.8000109.3L271 V276 R278I269-L271 HydrophobicContact CG2-CD2 3.61Å; I269-L271 HydrophobicContact CG2-CG 3.8Å; I269-V276 PolarHBondContact N-O 2.94Å; I269-V276 PolarHBondContact O-N 2.9Å; I269-R278 HydrophobicContact CD1-CG 4.38Å
270V79.2Confident84Confident71 Ų7157.1 Ų57.143%0.4333%0.327SS..EExtended strand (participates in β ladder)trans-93.7103.1171.1-179.80000109.3A272 N274V270-A272 PolarHBondContact O-N 2.87Å; V270-N274 CarbonylContact C-O 3.53Å; V270-N274 WeakPolarHBondContact CA-O 3.38Å
271L70.6Confident84Confident61 Ų6159.3 Ų59.332%0.31933%0.33SS..EExtended strand (participates in β ladder)trans-9593.6178.6-66.2-178.6000109.9I172 I269 T273 N274 V276I172-L271 HydrophobicContact CD1-CB 4.38Å; I172-L271 HydrophobicContact CG2-CB 4.2Å; I172-L271 HydrophobicContact CG2-CD1 4.11Å; I269-L271 HydrophobicContact CG2-CD2 3.61Å; I269-L271 HydrophobicContact CG2-CG 3.8Å; L271-T273 PolarHBondContact O-N 2.92Å; L271-N274 PolarHBondContact N-O 2.95Å; L271-N274 PolarHBondContact O-N 2.97Å; L271-V276 HydrophobicContact CD1-CG2 4.19Å
272A71.9Confident84.2Confident52 Ų5263.1 Ų63.143%0.4332%0.322SS..THydrogen-bonded Turntrans57.8-63.5179.200000116.3I172 L182 V270I172-A272 HydrophobicContact CD1-CB 3.83Å; L182-A272 HydrophobicContact CD1-CB 3.41Å; L182-A272 VanDerWaalsContact CD1-CB 3.41Å; V270-A272 PolarHBondContact O-N 2.87Å
273T77.4Confident84.3Confident18 Ų1862.1 Ų62.111%0.1132%0.319CS..THydrogen-bonded Turntrans-124.9-18.1176.9620000113.1Q180 C244 V254 W256 L271Q180-T273 PolarHBondContact OE1-OG1 2.91Å; C244-T273 WeakPolarHBondContact O-CB 3.28Å; V254-T273 HydrophobicContact CB-CG2 4.16Å; V254-T273 HydrophobicContact CG2-CG2 3.88Å; W256-T273 PolarHBondContact NE1-O 2.81Å; L271-T273 PolarHBondContact O-N 2.92Å
274N82.7Confident84.5Confident0 Ų056.6 Ų56.60%028%0.283CS..EExtended strand (participates in β ladder)trans-106.7149.6-171.1-52-40.6000111.6L174 Q180 M242 E243 C244 V270 L271L174-N274 HydrophobicContact CD1-CB 4.47Å; L174-N274 VanDerWaalsContact CD1-ND2 3.27Å; L174-N274 WeakPolarHBondContact CD1-ND2 3.45Å; Q180-N274 VanDerWaalsContact CD-ND2 3.35Å; Q180-N274 PolarHBondContact NE2-ND2 2.94Å; Q180-N274 PolarHBondContact OE1-ND2 3.25Å; M242-N274 WeakPolarHBondContact O-CA 3.32Å; E243-N274 WeakPolarHBondContact CA-OD1 3.35Å; E243-N274 WeakPolarHBondContact CG-OD1 3.4Å; C244-N274 PolarHBondContact N-OD1 2.9Å; V270-N274 CarbonylContact C-O 3.53Å; V270-N274 WeakPolarHBondContact CA-O 3.38Å; L271-N274 PolarHBondContact N-O 2.95Å; L271-N274 PolarHBondContact O-N 2.97Å
275L87.8Confident84.7Confident1 Ų156 Ų561%0.00529%0.286CS..EExtended strand (participates in β ladder)trans-103.7122.8173.9-178.7150.9000108.9M242 W256 I264 V268 I277 Y288M242-L275 HydrophobicContact CB-CB 4.31Å; M242-L275 HydrophobicContact CB-CD2 4.47Å; M242-L275 PolarHBondContact N-O 2.86Å; M242-L275 PolarHBondContact O-N 2.67Å; W256-L275 HydrophobicContact CB-CD1 4.04Å; W256-L275 HydrophobicContact CD2-CB 3.81Å; W256-L275 HydrophobicContact CD2-CD1 3.92Å; W256-L275 HydrophobicContact CE3-CB 4.19Å; W256-L275 HydrophobicContact CE3-CD1 3.92Å; W256-L275 HydrophobicContact CG-CB 4.21Å; W256-L275 HydrophobicContact CG-CD1 4Å; W256-L275 HydrophobicContact CH2-CB 4.27Å; W256-L275 HydrophobicContact CZ2-CB 3.95Å; W256-L275 HydrophobicContact CZ3-CB 4.41Å; I264-L275 HydrophobicContact CD1-CD1 4.11Å; V268-L275 HydrophobicContact CG1-CD1 3.87Å; V268-L275 HydrophobicContact CG1-CD2 3.57Å; V268-L275 HydrophobicContact CG1-CG 3.46Å; V268-L275 VanDerWaalsContact CG1-CG 3.46Å; L275-I277 HydrophobicContact CD2-CD1 4.27Å; L275-I277 HydrophobicContact CD2-CG1 4.01Å; L275-Y288 HydrophobicContact CD1-CD1 3.42Å; L275-Y288 VanDerWaalsContact CD1-CD1 3.42Å; L275-Y288 HydrophobicContact CD1-CE1 3.67Å; L275-Y288 HydrophobicContact CD1-CG 4.36Å; L275-Y288 HydrophobicContact CD2-CD1 4.29Å; L275-Y288 HydrophobicContact CD2-CE1 4.11Å
276V85.6Confident85Confident10 Ų1055 Ų556%0.06128%0.281CS..EExtended strand (participates in β ladder)trans-124.1128.9-172.9-178.50000110L174 V241 I269 L271L174-V276 HydrophobicContact CD2-CG2 4.19Å; V241-V276 HydrophobicContact CG1-CG2 4.39Å; V241-V276 HydrophobicContact CG2-CG1 4.48Å; V241-V276 HydrophobicContact CG2-CG2 4.5Å; I269-V276 PolarHBondContact N-O 2.94Å; I269-V276 PolarHBondContact O-N 2.9Å; L271-V276 HydrophobicContact CD1-CG2 4.19Å
277I88.8Confident85.5Confident1 Ų149.8 Ų49.81%0.00525%0.249CC..EExtended strand (participates in β ladder)trans-116.1120.5174.5-47.6-169000106.6P239 A240 V268 L275 T280 H284 L307P239-I277 CarbonylContact C-O 3.54Å; P239-I277 WeakPolarHBondContact CA-O 3.11Å; P239-I277 WeakPolarHBondContact CB-O 3.48Å; A240-I277 HydrophobicContact CB-CB 4.18Å; A240-I277 HydrophobicContact CB-CG1 4.42Å; A240-I277 PolarHBondContact N-O 3.39Å; A240-I277 PolarHBondContact O-N 2.78Å; V268-I277 HydrophobicContact CG1-CG1 4.15Å; V268-I277 HydrophobicContact CG2-CD1 4.05Å; V268-I277 HydrophobicContact CG2-CG1 4.02Å; L275-I277 HydrophobicContact CD2-CD1 4.27Å; L275-I277 HydrophobicContact CD2-CG1 4.01Å; I277-T280 HydrophobicContact CB-CG2 4.35Å; I277-T280 HydrophobicContact CG2-CG2 4.04Å; I277-H284 HydrophobicContact CD1-CB 3.83Å; I277-H284 VanDerWaalsContact CG2-ND1 3.33Å; I277-H284 WeakPolarHBondContact CG2-ND1 3.37Å; I277-L307 HydrophobicContact CD1-CD2 3.63Å
278R82.1Confident86Confident189 Ų18947.3 Ų47.371%0.71324%0.236SC*.SBendtrans-79.4-35.4-176.9-70.1-178.5171.6174.8-2.8113.4I269I269-R278 HydrophobicContact CD1-CG 4.38Å
279D84.4Confident86.5Confident62 Ų6247.7 Ų47.733%0.33224%0.238SC..SBendtrans-133.1104.9-178.3165.725.1000107.6G237 R281 H284G237-D279 WeakPolarHBondContact CA-OD1 3.31Å; D279-R281 IonicContact OD2-CZ 2.99Å; D279-R281 IonicContact OD2-NE 2.67Å; D279-R281 PolarHBondContact OD2-NE 2.83Å; D279-R281 IonicContact OD2-NH2 3.95Å; D279-R281 PolarHBondContact OD2-NH2 2.81Å; D279-H284 PolarHBondContact O-CE1 3.47Å; D279-H284 PolarHBondContact O-ND1 2.9Å
280T88.6Confident87.1Confident0 Ų045.1 Ų45.10%023%0.225CC..  trans-76132.9-179.147.20000112.5V234 V235 G237 H238 A240 I277V234-T280 HydrophobicContact CB-CG2 4.25Å; V234-T280 HydrophobicContact CG1-CG2 3.83Å; V235-T280 PolarHBondContact O-OG1 2.91Å; G237-T280 PolarHBondContact N-O 2.85Å; G237-T280 PolarHBondContact N-OG1 3.31Å; H238-T280 PolarHBondContact N-OG1 2.03Å; H238-T280 VanDerWaalsContact O-CB 3.3Å; H238-T280 WeakPolarHBondContact O-CB 3.49Å; H238-T280 WeakPolarHBondContact O-CG2 3.21Å; H238-T280 PolarHBondContact O-N 3.3Å; H238-T280 VanDerWaalsContact O-N 3.08Å; H238-T280 PolarHBondContact O-OG1 3.15Å; A240-T280 HydrophobicContact CB-CG2 3.63Å; I277-T280 HydrophobicContact CB-CG2 4.35Å; I277-T280 HydrophobicContact CG2-CG2 4.04Å
281R92.1Very high87.7Confident116 Ų11646.9 Ų46.944%0.43822%0.224SC..  trans-129.1156.4-177.6-64173.1177.1-175-3.9108.6D267 D279 H283 H284D267-R281 IonicContact OD2-NH1 2.78Å; D279-R281 IonicContact OD2-CZ 2.99Å; D279-R281 IonicContact OD2-NE 2.67Å; D279-R281 PolarHBondContact OD2-NE 2.83Å; D279-R281 IonicContact OD2-NH2 3.95Å; D279-R281 PolarHBondContact OD2-NH2 2.81Å; R281-H283 PolarHBondContact O-N 2.9Å; R281-H284 PolarHBondContact N-ND1 2.78Å; R281-H284 VanDerWaalsContact N-ND1 3.2Å; R281-H284 VanDerWaalsContact O-CB 3.29Å; R281-H284 WeakPolarHBondContact O-CB 3.22Å; R281-H284 PolarHBondContact O-N 3.25Å
282R90.1Very high88.7Confident151 Ų15144 Ų4457%0.5721%0.209SC*.G310 helixtrans-53.4-30.1-175.2-60.7-171-176.8-157.72114.5L236 H284 A285L236-R282 HydrophobicContact CD1-CG 3.77Å; R282-H284 VanDerWaalsContact C-N 3.35Å; R282-A285 WeakPolarHBondContact O-CB 3.48Å; R282-A285 PolarHBondContact O-N 2.86Å
283H90.1Very high89.5Confident102 Ų10243.4 Ų43.447%0.47220%0.198SC..G310 helixtrans-79.3-13.1178.769.5-96.7000114.4R258 R281 A285R258-H283 PolarHBondContact NH1-O 3.11Å; R281-H283 PolarHBondContact O-N 2.9Å; H283-A285 PolarHBondContact O-N 3.46Å
284H92.5Very high89.9Confident1 Ų143.6 Ų43.61%0.00520%0.198CC..G310 helixtrans-71.6-15.4170.2-64.1150.3000112.4D267 I277 D279 R281 R282 Y288 L307 V309D267-H284 IonicContact OD1-CE1 3.57Å; D267-H284 IonicContact OD1-NE2 2.65Å; D267-H284 PolarHBondContact OD1-NE2 3.49Å; D267-H284 IonicContact OD2-CE1 3.6Å; D267-H284 PolarHBondContact OD2-CE1 3.45Å; D267-H284 IonicContact OD2-NE2 2.8Å; D267-H284 PolarHBondContact OD2-NE2 3.36Å; I277-H284 HydrophobicContact CD1-CB 3.83Å; I277-H284 VanDerWaalsContact CG2-ND1 3.33Å; I277-H284 WeakPolarHBondContact CG2-ND1 3.37Å; D279-H284 PolarHBondContact O-CE1 3.47Å; D279-H284 PolarHBondContact O-ND1 2.9Å; R281-H284 PolarHBondContact N-ND1 2.78Å; R281-H284 VanDerWaalsContact N-ND1 3.2Å; R281-H284 VanDerWaalsContact O-CB 3.29Å; R281-H284 WeakPolarHBondContact O-CB 3.22Å; R281-H284 PolarHBondContact O-N 3.25Å; R282-H284 VanDerWaalsContact C-N 3.35Å; H284-Y288 WeakPolarHBondContact O-CE2 3.48Å; H284-Y288 PolarHBondContact O-OH 3.39Å; H284-Y288 VanDerWaalsContact O-OH 3.11Å; H284-L307 HydrophobicContact CB-CD2 4.43Å; H284-V309 HydrophobicContact CB-CG2 4.46Å
285A92.1Very high89.9Confident35 Ų3546 Ų4629%0.28921%0.213SC..  trans-62.9148.517600000112.9R258 R282 H283 L307 V309R258-A285 PolarHBondContact NH1-O 2.89Å; R258-A285 PolarHBondContact NH2-O 3.16Å; R282-A285 WeakPolarHBondContact O-CB 3.48Å; R282-A285 PolarHBondContact O-N 2.86Å; H283-A285 PolarHBondContact O-N 3.46Å; A285-L307 CarbonylContact C-O 3.55Å; A285-L307 WeakPolarHBondContact CA-O 3.19Å; A285-V309 HydrophobicContact CB-CB 4.46Å; A285-V309 HydrophobicContact CB-CG2 4.13Å
286G93.1Very high89.5Confident17 Ų1756.6 Ų56.618%0.17526%0.259CS..EExtended strand (participates in β ladder)trans130.7-179.2175.800000113.8Y288 L307G286-Y288 WeakPolarHBondContact O-CD2 3.27Å; G286-L307 PolarHBondContact N-O 2.83Å; G286-L307 PolarHBondContact O-N 3.41Å
287V95.6Very high89.3Confident37 Ų3759.4 Ų59.422%0.22428%0.276CS..EExtended strand (participates in β ladder)trans-88.7123.5-177.2-1690000111.3Q259 A304 A305 E306Q259-V287 HydrophobicContact CB-CB 3.99Å; Q259-V287 HydrophobicContact CB-CG1 4.27Å; Q259-V287 PolarHBondContact N-O 3.39Å; V287-A304 HydrophobicContact CG1-CB 4.09Å; V287-A305 WeakPolarHBondContact CA-O 3.15Å; V287-A305 WeakPolarHBondContact CG1-O 3.19Å; V287-E306 HydrophobicContact CG2-CB 4.04Å; V287-E306 HydrophobicContact CG2-CG 3.96Å
288Y94.8Very high89Confident0 Ų070.9 Ų70.90%032%0.319CS..EExtended strand (participates in β ladder)trans-103.3139.4173.2-67.2-103.3000109.9M242 R258 I264 L275 H284 G286 A304 A305 L307M242-Y288 HydrophobicContact CE-CD2 3.81Å; M242-Y288 HydrophobicContact CE-CG 3.99Å; R258-Y288 HydrophobicContact CG-CD1 4.13Å; R258-Y288 HydrophobicContact CG-CE1 4.02Å; I264-Y288 HydrophobicContact CG1-CE1 4.4Å; L275-Y288 HydrophobicContact CD1-CD1 3.42Å; L275-Y288 VanDerWaalsContact CD1-CD1 3.42Å; L275-Y288 HydrophobicContact CD1-CE1 3.67Å; L275-Y288 HydrophobicContact CD1-CG 4.36Å; L275-Y288 HydrophobicContact CD2-CD1 4.29Å; L275-Y288 HydrophobicContact CD2-CE1 4.11Å; H284-Y288 WeakPolarHBondContact O-CE2 3.48Å; H284-Y288 PolarHBondContact O-OH 3.39Å; H284-Y288 VanDerWaalsContact O-OH 3.11Å; G286-Y288 WeakPolarHBondContact O-CD2 3.27Å; Y288-A304 VanDerWaalsContact O-CA 3.25Å; Y288-A304 WeakPolarHBondContact O-CA 3.24Å; Y288-A305 PolarHBondContact N-O 2.92Å; Y288-A305 PolarHBondContact O-N 2.97Å; Y288-L307 HydrophobicContact CD2-CB 4.35Å; Y288-L307 HydrophobicContact CE2-CB 4.17Å; Y288-L307 HydrophobicContact CE2-CD2 4.22Å
289V95Very high89Confident23 Ų2366.4 Ų66.414%0.13931%0.307CS..EExtended strand (participates in β ladder)trans-115.6118.1-179.8-172.70000108.3W256 S257 Q259 F302 A303 A304W256-V289 WeakPolarHBondContact CA-O 3.43Å; S257-V289 PolarHBondContact N-O 3.2Å; S257-V289 PolarHBondContact O-N 3.37Å; Q259-V289 HydrophobicContact CB-CG2 3.96Å; V289-F302 HydrophobicContact CG1-CB 4.22Å; V289-F302 HydrophobicContact CG1-CD2 4.38Å; V289-A303 WeakPolarHBondContact CA-O 3.5Å; V289-A304 HydrophobicContact CB-CB 4.46Å; V289-A304 HydrophobicContact CG1-CB 4.48Å; V289-A304 HydrophobicContact CG2-CB 3.98Å
290C94.2Very high89.3Confident0 Ų068.3 Ų68.30%031%0.312CS..EExtended strand (participates in β ladder)trans-85.4138.2165.2171.10000110P229 C244 W256 F302 A303P229-C290 HydrophobicContact CG-CB 4.43Å; C244-C290 HydrophobicContact CB-CB 3.49Å; C244-C290 VanDerWaalsContact CB-CB 3.49Å; C244-C290 WeakPolarHBondContact CB-SG 3.38Å; C244-C290 WeakPolarHBondContact SG-CB 3.49Å; C244-C290 CovalentContact SG-SG 2Å; C244-C290 PolarHBondContact SG-SG 2.83Å; W256-C290 HydrophobicContact CD2-CB 4.15Å; W256-C290 HydrophobicContact CE3-CB 4Å; W256-C290 HydrophobicContact CH2-CB 3.96Å; W256-C290 HydrophobicContact CZ2-CB 4.07Å; W256-C290 HydrophobicContact CZ3-CB 3.91Å; C290-F302 CarbonylContact O-C 3.55Å; C290-F302 WeakPolarHBondContact O-CA 3.19Å; C290-F302 WeakPolarHBondContact O-CB 3.29Å; C290-A303 PolarHBondContact N-O 2.8Å; C290-A303 PolarHBondContact O-N 2.9Å
291R92.6Very high89.5Confident109 Ų10970.6 Ų70.641%0.41133%0.326SS..EExtended strand (participates in β ladder)trans-131.1120.1175.3175.9-177.5169.5176.1-1.8110.2V254 S255 N293 F300 V301 F302V254-R291 CarbonylContact C-O 3.56Å; S255-R291 PolarHBondContact N-O 2.96Å; S255-R291 PolarHBondContact O-N 3.4Å; S255-R291 PolarHBondContact OG-O 2.99Å; R291-N293 VanDerWaalsContact CZ-OD1 3.27Å; R291-N293 PolarHBondContact NE-OD1 2.9Å; R291-N293 PolarHBondContact NH2-OD1 2.94Å; R291-F300 HydrophobicContact CG-CD2 4.31Å; R291-V301 WeakPolarHBondContact CA-O 3.13Å; R291-F302 HydrophobicContact CB-CB 4.43Å
292A91.3Very high89.6Confident0 Ų071.8 Ų71.80%034%0.335CS..EExtended strand (participates in β ladder)trans-103.6118.5175.200000110.4V223 I225 A246 P252 V254 F300 V301V223-A292 HydrophobicContact CG1-CB 4.2Å; I225-A292 HydrophobicContact CG1-CB 4.31Å; A246-A292 HydrophobicContact CB-CB 3.39Å; P252-A292 HydrophobicContact CB-CB 4.23Å; V254-A292 HydrophobicContact CG2-CB 4.17Å; A292-F300 WeakPolarHBondContact O-CA 3.5Å; A292-F300 WeakPolarHBondContact O-CB 3.46Å; A292-V301 HydrophobicContact CB-CG2 4.17Å; A292-V301 PolarHBondContact N-O 3.06Å; A292-V301 PolarHBondContact O-N 2.86Å
293N89Confident89.8Confident39 Ų3965.5 Ų65.521%0.20932%0.315CS..EExtended strand (participates in β ladder)trans-106.8137.1-178.2-57-80.5000110.8P252 L253 S255 R291 P295 F300P252-N293 CarbonylContact C-O 3.54Å; P252-N293 WeakPolarHBondContact CA-O 3.22Å; L253-N293 PolarHBondContact N-O 2.83Å; L253-N293 PolarHBondContact O-N 2.73Å; S255-N293 PolarHBondContact OG-ND2 3.36Å; R291-N293 VanDerWaalsContact CZ-OD1 3.27Å; R291-N293 PolarHBondContact NE-OD1 2.9Å; R291-N293 PolarHBondContact NH2-OD1 2.94Å; N293-P295 WeakPolarHBondContact O-CD 3.45Å; N293-F300 HydrophobicContact CB-CB 4.43Å; N293-F300 WeakPolarHBondContact OD1-CB 3.33Å
294K84.8Confident90Very high23 Ų2363 Ų6310%0.131%0.312CS..  trans-80.9117.3174-171.2177.7-173.2163.80110.5G221 V223 Q249 K296 T297 E299G221-K294 PolarHBondContact O-NZ 3.26Å; V223-K294 HydrophobicContact CG2-CB 3.51Å; V223-K294 HydrophobicContact CG2-CD 3.97Å; V223-K294 HydrophobicContact CG2-CG 3.76Å; Q249-K294 WeakPolarHBondContact O-CE 3.35Å; K294-K296 PolarHBondContact O-N 2.83Å; K294-T297 WeakPolarHBondContact CB-OG1 3.36Å; K294-T297 HydrophobicContact CD-CG2 4.13Å; K294-T297 HydrophobicContact CG-CG2 4.23Å; K294-T297 PolarHBondContact O-N 3.24Å; K294-T297 PolarHBondContact O-OG1 3.27Å; K294-E299 HydrophobicContact CB-CB 3.95Å; K294-E299 WeakPolarHBondContact CB-O 3.29Å; K294-E299 HydrophobicContact CD-CB 4.02Å; K294-E299 HydrophobicContact CD-CG 4.41Å; K294-E299 WeakPolarHBondContact CD-OE2 3.48Å; K294-E299 WeakPolarHBondContact CE-OE2 3.41Å; K294-E299 PolarHBondContact N-O 2.82Å; K294-E299 IonicContact NZ-OE1 3.99Å; K294-E299 IonicContact NZ-OE2 3.82Å; K294-E299 PolarHBondContact NZ-OE2 2.93Å
295P83Confident90.2Very high51 Ų5163 Ų6333%0.33131%0.312SS..THydrogen-bonded Turntrans-52.6140.1-175.8-2833.9000113.7P250 K251 N293 T297P250-P295 HydrophobicContact CG-CB 4.27Å; P250-P295 HydrophobicContact CG-CG 4.39Å; K251-P295 VanDerWaalsContact O-CD 3.28Å; K251-P295 WeakPolarHBondContact O-CD 3.48Å; K251-P295 WeakPolarHBondContact O-CG 3.23Å; N293-P295 WeakPolarHBondContact O-CD 3.45Å; P295-T297 PolarHBondContact O-N 3.25Å
296K80.1Confident90.3Very high223 Ų22364.8 Ų64.897%0.9732%0.315SS*.THydrogen-bonded Turntrans61.313.5179.4-53.8179179.8177.30115.6K294K294-K296 PolarHBondContact O-N 2.83Å
297T81.5Confident90.3Very high68 Ų6864 Ų6442%0.41731%0.306SS..SBendtrans-128.1-178.3174.178.60000111.3K294 P295 E299K294-T297 WeakPolarHBondContact CB-OG1 3.36Å; K294-T297 HydrophobicContact CD-CG2 4.13Å; K294-T297 HydrophobicContact CG-CG2 4.23Å; K294-T297 PolarHBondContact O-N 3.24Å; K294-T297 PolarHBondContact O-OG1 3.27Å; P295-T297 PolarHBondContact O-N 3.25Å; T297-E299 PolarHBondContact OG1-N 2.85Å; T297-E299 VanDerWaalsContact OG1-N 3.14Å
298R81.1Confident90.2Very high242 Ų24266 Ų6691%0.91331%0.313SS*.SBendtrans-1005.1169.7-64.9-172.9180-170.80.7113.5F300R298-F300 WeakPolarHBondContact O-CD1 3.32Å
299E83.6Confident90.1Very high95 Ų9566.5 Ų66.544%0.44432%0.316SS..  trans-74128.7178.5-68.8169-144.700110.5K294 T297K294-E299 HydrophobicContact CB-CB 3.95Å; K294-E299 WeakPolarHBondContact CB-O 3.29Å; K294-E299 HydrophobicContact CD-CB 4.02Å; K294-E299 HydrophobicContact CD-CG 4.41Å; K294-E299 WeakPolarHBondContact CD-OE2 3.48Å; K294-E299 WeakPolarHBondContact CE-OE2 3.41Å; K294-E299 PolarHBondContact N-O 2.82Å; K294-E299 IonicContact NZ-OE1 3.99Å; K294-E299 IonicContact NZ-OE2 3.82Å; K294-E299 PolarHBondContact NZ-OE2 2.93Å; T297-E299 PolarHBondContact OG1-N 2.85Å; T297-E299 VanDerWaalsContact OG1-N 3.14Å
300F89.6Confident89.8Confident102 Ų10265.7 Ų65.745%0.44731%0.312SS..EExtended strand (participates in β ladder)trans-150.8157.9171.967.2-88.7000111R291 A292 N293 R298 F302R291-F300 HydrophobicContact CG-CD2 4.31Å; A292-F300 WeakPolarHBondContact O-CA 3.5Å; A292-F300 WeakPolarHBondContact O-CB 3.46Å; N293-F300 HydrophobicContact CB-CB 4.43Å; N293-F300 WeakPolarHBondContact OD1-CB 3.33Å; R298-F300 WeakPolarHBondContact O-CD1 3.32Å; F300-F302 HydrophobicContact CD2-CD1 4.42Å; F300-F302 HydrophobicContact CE2-CD1 4.17Å
301V92.9Very high89.5Confident48 Ų4866 Ų6629%0.29132%0.315SS..EExtended strand (participates in β ladder)trans-133157.2171.6-71.50000108.8V223 I225 R291 A292V223-V301 HydrophobicContact CG1-CG2 3.81Å; I225-V301 HydrophobicContact CD1-CB 4.32Å; I225-V301 HydrophobicContact CD1-CG2 3.93Å; I225-V301 HydrophobicContact CG1-CG2 3.76Å; R291-V301 WeakPolarHBondContact CA-O 3.13Å; A292-V301 HydrophobicContact CB-CG2 4.17Å; A292-V301 PolarHBondContact N-O 3.06Å; A292-V301 PolarHBondContact O-N 2.86Å
302F94.6Very high89.2Confident141 Ų14163.8 Ų63.862%0.61831%0.314SS*.EExtended strand (participates in β ladder)trans-141.6155.7179.962.9-89.4000111.3V289 C290 R291 F300V289-F302 HydrophobicContact CG1-CB 4.22Å; V289-F302 HydrophobicContact CG1-CD2 4.38Å; C290-F302 CarbonylContact O-C 3.55Å; C290-F302 WeakPolarHBondContact O-CA 3.19Å; C290-F302 WeakPolarHBondContact O-CB 3.29Å; R291-F302 HydrophobicContact CB-CB 4.43Å; F300-F302 HydrophobicContact CD2-CD1 4.42Å; F300-F302 HydrophobicContact CE2-CD1 4.17Å
303A95.1Very high89.1Confident19 Ų1964 Ų6416%0.15732%0.316CS..EExtended strand (participates in β ladder)trans-144.8151.2174.500000108.6I225 P228 P229 V289 C290I225-A303 HydrophobicContact CD1-CB 3.89Å; I225-A303 HydrophobicContact CG2-CB 4.47Å; P228-A303 HydrophobicContact CB-CB 3.7Å; P229-A303 HydrophobicContact CG-CB 4.42Å; V289-A303 WeakPolarHBondContact CA-O 3.5Å; C290-A303 PolarHBondContact N-O 2.8Å; C290-A303 PolarHBondContact O-N 2.9Å
304A94.8Very high89Confident50 Ų5065.6 Ų65.641%0.41333%0.327SS..EExtended strand (participates in β ladder)trans-137.5148.2-173.200000111.4V287 Y288 V289V287-A304 HydrophobicContact CG1-CB 4.09Å; Y288-A304 VanDerWaalsContact O-CA 3.25Å; Y288-A304 WeakPolarHBondContact O-CA 3.24Å; V289-A304 HydrophobicContact CB-CB 4.46Å; V289-A304 HydrophobicContact CG1-CB 4.48Å; V289-A304 HydrophobicContact CG2-CB 3.98Å
305A95.4Very high89.1Confident1 Ų166 Ų661%0.00833%0.33CS..EExtended strand (participates in β ladder)trans-147.6150.5177.100000111.6P229 Q230 N231 M242 V287 Y288P229-A305 HydrophobicContact CB-CB 3.76Å; P229-A305 HydrophobicContact CG-CB 4.13Å; Q230-A305 VanDerWaalsContact C-CB 3.41Å; Q230-A305 WeakPolarHBondContact O-CB 3.48Å; N231-A305 WeakPolarHBondContact OD1-CA 3.42Å; M242-A305 HydrophobicContact CE-CB 3.95Å; M242-A305 HydrophobicContact SD-CB 4.13Å; V287-A305 WeakPolarHBondContact CA-O 3.15Å; V287-A305 WeakPolarHBondContact CG1-O 3.19Å; Y288-A305 PolarHBondContact N-O 2.92Å; Y288-A305 PolarHBondContact O-N 2.97Å
306E95.3Very high89.4Confident73 Ų7367.6 Ų67.634%0.34134%0.338SS..EExtended strand (participates in β ladder)trans-94.3128.7177.2-165.3163.7-176.800111.7N231 A232 V287 H308N231-E306 VanDerWaalsContact CA-O 3.31Å; N231-E306 WeakPolarHBondContact CA-O 3.26Å; N231-E306 PolarHBondContact OD1-N 3.14Å; A232-E306 PolarHBondContact N-O 2.94Å; V287-E306 HydrophobicContact CG2-CB 4.04Å; V287-E306 HydrophobicContact CG2-CG 3.96Å; E306-H308 IonicContact OE1-CE1 3.47Å; E306-H308 PolarHBondContact OE1-CE1 3.2Å; E306-H308 IonicContact OE1-ND1 3.07Å; E306-H308 IonicContact OE2-CE1 2.91Å; E306-H308 IonicContact OE2-NE2 2.73Å
307L93.3Very high89.7Confident0 Ų061.9 Ų61.90%032%0.315CS..EExtended strand (participates in β ladder)trans-98.5115.1168.6178.862.3000109A232 V234 A240 I277 H284 A285 G286 Y288A232-L307 HydrophobicContact CB-CD1 4.13Å; A232-L307 WeakPolarHBondContact O-CA 3.4Å; V234-L307 HydrophobicContact CB-CD1 4.33Å; V234-L307 HydrophobicContact CG2-CD1 3.86Å; A240-L307 HydrophobicContact CB-CD1 4.06Å; A240-L307 HydrophobicContact CB-CD2 4.19Å; I277-L307 HydrophobicContact CD1-CD2 3.63Å; H284-L307 HydrophobicContact CB-CD2 4.43Å; A285-L307 CarbonylContact C-O 3.55Å; A285-L307 WeakPolarHBondContact CA-O 3.19Å; G286-L307 PolarHBondContact N-O 2.83Å; G286-L307 PolarHBondContact O-N 3.41Å; Y288-L307 HydrophobicContact CD2-CB 4.35Å; Y288-L307 HydrophobicContact CE2-CB 4.17Å; Y288-L307 HydrophobicContact CE2-CD2 4.22Å
308H92Very high90Very high78 Ų7862.5 Ų62.536%0.36132%0.322SS..EExtended strand (participates in β ladder)trans-95.6137.2168.5-58.5-69.3000109.9A232 T233 V234 E306A232-H308 PolarHBondContact O-N 2.87Å; T233-H308 WeakPolarHBondContact CA-O 3.18Å; T233-H308 HydrophobicContact CG2-CB 4.23Å; V234-H308 PolarHBondContact N-O 2.93Å; E306-H308 IonicContact OE1-CE1 3.47Å; E306-H308 PolarHBondContact OE1-CE1 3.2Å; E306-H308 IonicContact OE1-ND1 3.07Å; E306-H308 IonicContact OE2-CE1 2.91Å; E306-H308 IonicContact OE2-NE2 2.73Å
309V92.2Very high90.5Very high11 Ų1151.3 Ų51.37%0.06728%0.281CS..EExtended strand (participates in β ladder)trans-111.3100.3176.2-178.70000108.8V234 L236 H284 A285V234-V309 CarbonylContact O-C 3.58Å; V234-V309 WeakPolarHBondContact O-CA 3.39Å; L236-V309 HydrophobicContact CB-CG1 4.03Å; L236-V309 HydrophobicContact CD1-CG1 4.49Å; H284-V309 HydrophobicContact CB-CG2 4.46Å; A285-V309 HydrophobicContact CB-CB 4.46Å; A285-V309 HydrophobicContact CB-CG2 4.13Å
310A90Very high90.8Very high7 Ų754.3 Ų54.36%0.05830%0.295CS..EExtended strand (participates in β ladder)trans-86.4153.3-177.100000111.5T233 V234 V235 L236 E339 L388T233-A310 HydrophobicContact CG2-CB 3.74Å; V234-A310 PolarHBondContact O-N 3.39Å; V235-A310 WeakPolarHBondContact CA-O 3.45Å; L236-A310 PolarHBondContact N-O 3.25Å; A310-E339 CarbonylContact C-O 3.59Å; A310-E339 VanDerWaalsContact CA-O 3.28Å; A310-E339 WeakPolarHBondContact CA-O 3.33Å; A310-E339 WeakPolarHBondContact CB-O 3.49Å; A310-L388 HydrophobicContact CB-CD1 3.66Å
311A88Confident90.9Very high6 Ų653.1 Ų53.15%0.0530%0.299CS..EExtended strand (participates in β ladder)trans-143.3137.8-177.500000111.8E339 N386A311-E339 HydrophobicContact CB-CB 4.18Å; A311-E339 PolarHBondContact N-O 3.44Å; A311-E339 PolarHBondContact O-N 3.42Å; A311-N386 PolarHBondContact O-ND2 2.92Å
312P85.5Confident90.7Very high62 Ų6252.5 Ų52.540%0.40330%0.295SS..EExtended strand (participates in β ladder)trans-64.7161.8176.329.6-36.1000111.7L388P312-L388 HydrophobicContact CB-CB 4.28Å
313P88.8Confident90.3Very high5 Ų549.3 Ų49.33%0.03229%0.291CS..EExtended strand (participates in β ladder)trans-68.3141.9178.729.2-35.5000112S337 P342 A384 N386 G389 A391P313-S337 CarbonylContact C-O 3.5Å; P313-S337 VanDerWaalsContact CA-O 3.3Å; P313-S337 WeakPolarHBondContact CA-O 3.38Å; P313-P342 HydrophobicContact CB-CB 3.84Å; P313-P342 HydrophobicContact CB-CG 4Å; P313-A384 HydrophobicContact CB-CB 4.03Å; P313-A384 WeakPolarHBondContact CG-O 3.35Å; P313-N386 WeakPolarHBondContact CD-OD1 3.31Å; P313-G389 WeakPolarHBondContact CD-O 3.47Å; P313-G389 VanDerWaalsContact CG-O 3.22Å; P313-G389 WeakPolarHBondContact CG-O 3.44Å; P313-A391 HydrophobicContact CB-CB 4.32Å; P313-A391 HydrophobicContact CG-CB 4.32Å
314V87.7Confident89.8Confident72 Ų7250.6 Ų50.644%0.43629%0.294SS..EExtended strand (participates in β ladder)trans-133.8126.8171.2-178.80000108V316 S336 S337V314-V316 PolarHBondContact O-N 3.5Å; V314-S336 CarbonylContact O-C 3.48Å; V314-S336 VanDerWaalsContact O-CA 3.31Å; V314-S336 WeakPolarHBondContact O-CA 3.13Å; V314-S337 PolarHBondContact N-O 2.98Å; V314-S337 PolarHBondContact O-N 2.83Å
315I87.8Confident89.1Confident32 Ų3249.3 Ų49.316%0.16428%0.282CS..EExtended strand (participates in β ladder)trans-78.1119.1171.1-68.2176.9000108.2H317 N335 A384 A391 A393I315-H317 WeakPolarHBondContact CG2-O 3.43Å; I315-N335 CarbonylContact C-O 3.43Å; I315-A384 HydrophobicContact CG1-CB 4.16Å; I315-A391 HydrophobicContact CG1-CB 4.22Å; I315-A393 HydrophobicContact CD1-CB 3.71Å; I315-A393 HydrophobicContact CG2-CB 4.06Å
316V88.2Confident88.5Confident85 Ų8557 Ų5752%0.51531%0.311SS..EExtended strand (participates in β ladder)trans-89-35-178-171.50000110.7V314 N335V314-V316 PolarHBondContact O-N 3.5Å; V316-N335 PolarHBondContact N-O 2.88Å
317H86.3Confident87.7Confident103 Ų10355.7 Ų55.748%0.47732%0.317SS..EExtended strand (participates in β ladder)trans-130.5115.7174.1-58.571.8000108.9I315 C334 N335I315-H317 WeakPolarHBondContact CG2-O 3.43Å; H317-C334 WeakPolarHBondContact O-CA 3.43Å; H317-N335 HydrophobicContact CB-CB 4.01Å; H317-N335 PolarHBondContact N-O 3.06Å; H317-N335 VanDerWaalsContact N-O 3.16Å; H317-N335 PolarHBondContact O-N 3.31Å; H317-N335 VanDerWaalsContact O-N 3.1Å
318S89Confident87.4Confident81 Ų8159.4 Ų59.457%0.56634%0.337SS*.PPolyproline II helixtrans-79.1148.8173.349.70000111.3
319P91.1Very high87.3Confident7 Ų758.9 Ų58.95%0.04534%0.34CS..PPolyproline II helixtrans-70.4141.4174.428.9-32.8000112.2F332 L333 W346 A395P319-F332 HydrophobicContact CB-CB 4.04Å; P319-F332 HydrophobicContact CB-CD1 4.22Å; P319-L333 WeakPolarHBondContact CA-O 3.3Å; P319-L333 WeakPolarHBondContact CB-O 3.18Å; P319-W346 HydrophobicContact CB-CH2 3.78Å; P319-W346 HydrophobicContact CB-CZ3 4.29Å; P319-W346 HydrophobicContact CG-CH2 3.88Å; P319-W346 HydrophobicContact CG-CZ3 4.09Å; P319-A395 HydrophobicContact CB-CB 3.89Å; P319-A395 HydrophobicContact CG-CB 3.97Å
320E90.5Very high87.3Confident158 Ų15858.4 Ų58.474%0.73834%0.336SS*.PPolyproline II helixtrans-83.7146.6178.5-64-179.9177.300111.9F332 A395E320-F332 WeakPolarHBondContact O-CD1 3.42Å; E320-F332 VanDerWaalsContact O-CE1 3.27Å; E320-F332 WeakPolarHBondContact O-CE1 3.49Å; E320-A395 WeakPolarHBondContact O-CB 3.34Å
321S90.1Very high87.4Confident77 Ų7764.9 Ų64.954%0.53836%0.359SS..PPolyproline II helixtrans-79.6134.6172.8-62.80000110.7R396S321-R396 CarbonylContact C-O 3.6Å; S321-R396 VanDerWaalsContact CA-O 3.25Å; S321-R396 WeakPolarHBondContact CA-O 3.42Å; S321-R396 WeakPolarHBondContact CB-O 3.2Å; S321-R396 PolarHBondContact OG-N 3.46Å
322V88.9Confident87.7Confident35 Ų3564.7 Ų64.721%0.21236%0.357CS..EExtended strand (participates in β ladder)trans-132144.1-173.6-58.30000112.8L324 F332 R396 L397 T398V322-L324 HydrophobicContact CB-CD1 4.35Å; V322-L324 HydrophobicContact CB-CG 4.31Å; V322-L324 HydrophobicContact CG2-CD1 3.86Å; V322-L324 HydrophobicContact CG2-CG 4.2Å; V322-F332 HydrophobicContact CG2-CE1 3.89Å; V322-F332 HydrophobicContact CG2-CZ 3.84Å; V322-R396 PolarHBondContact N-O 3.13Å; V322-L397 HydrophobicContact CG2-CD1 3.74Å; V322-L397 WeakPolarHBondContact O-CA 3.42Å; V322-T398 PolarHBondContact O-N 3.45Å
323S86.6Confident88Confident74 Ų7465.1 Ų65.152%0.51736%0.356SS..EExtended strand (participates in β ladder)trans-117.1110.6174.7-62.30000109T398S323-T398 CarbonylContact C-O 3.52Å; S323-T398 WeakPolarHBondContact CA-O 3.38Å
324L85.1Confident88.2Confident46 Ų4664.9 Ų64.924%0.24136%0.355CS..EExtended strand (participates in β ladder)trans-132.6148.3-168.9-67.1173.9000111.5V322 N328 A330 L372 T398 V399 I400V322-L324 HydrophobicContact CB-CD1 4.35Å; V322-L324 HydrophobicContact CB-CG 4.31Å; V322-L324 HydrophobicContact CG2-CD1 3.86Å; V322-L324 HydrophobicContact CG2-CG 4.2Å; L324-N328 HydrophobicContact CB-CB 4.42Å; L324-A330 HydrophobicContact CD1-CB 3.86Å; L324-L372 HydrophobicContact CB-CD1 3.55Å; L324-L372 HydrophobicContact CD1-CD1 3.95Å; L324-L372 HydrophobicContact CG-CD1 4.41Å; L324-T398 PolarHBondContact N-O 3.23Å; L324-V399 CarbonylContact O-C 3.55Å; L324-V399 WeakPolarHBondContact O-CA 3.36Å; L324-I400 PolarHBondContact O-N 3.43Å
325S80.1Confident88.4Confident22 Ų2264.2 Ų64.215%0.15435%0.348CS..EExtended strand (participates in β ladder)trans-73.3150.1179.5-59.50000113.1G327 N328 I400S325-G327 PolarHBondContact O-N 2.86Å; S325-N328 VanDerWaalsContact O-CB 3.3Å; S325-N328 WeakPolarHBondContact O-CB 3.47Å; S325-N328 PolarHBondContact O-N 3.24Å; S325-I400 CarbonylContact C-O 3.49Å; S325-I400 WeakPolarHBondContact CA-O 3.4Å
326R81.8Confident88.5Confident163 Ų16363.2 Ų63.262%0.61535%0.345SS*.THydrogen-bonded Turntrans-50.4129.8172.2-167.1-175.373.6169.3-0.1110.2L372 V399 I400R326-L372 CarbonylContact C-O 3.54Å; R326-L372 WeakPolarHBondContact CA-O 3.4Å; R326-L372 WeakPolarHBondContact CG-O 3.33Å; R326-V399 HydrophobicContact CB-CG1 4.23Å; R326-I400 PolarHBondContact N-O 3.39Å
327G78.8Confident88.6Confident46 Ų4660.9 Ų60.947%0.47433%0.332SS..THydrogen-bonded Turntrans94.9-17.4-176.800000115.5S325 Q371 L372S325-G327 PolarHBondContact O-N 2.86Å; G327-Q371 WeakPolarHBondContact O-CA 3.42Å; G327-L372 PolarHBondContact N-O 2.85Å
328N86.5Confident88.7Confident78 Ų7856.2 Ų56.242%0.41731%0.312SS..SBendtrans-69.1175.5174.2-70.76.4000111.8L324 S325 Q371 L372L324-N328 HydrophobicContact CB-CB 4.42Å; S325-N328 VanDerWaalsContact O-CB 3.3Å; S325-N328 WeakPolarHBondContact O-CB 3.47Å; S325-N328 PolarHBondContact O-N 3.24Å; N328-Q371 PolarHBondContact O-N 2.86Å; N328-Q371 VanDerWaalsContact O-N 3.16Å; N328-L372 HydrophobicContact CB-CD1 4.24Å; N328-L372 VanDerWaalsContact O-CG 3.3Å; N328-L372 WeakPolarHBondContact O-CG 3.29Å; N328-L372 PolarHBondContact O-N 2.81Å
329T90.3Very high88.7Confident67 Ų6757.2 Ų57.241%0.41131%0.308SS..  trans-106.4126.7169.1-67.40000110.4L368 I369 N370T329-L368 HydrophobicContact CG2-CD2 4.48Å; T329-I369 CarbonylContact C-O 3.59Å; T329-I369 VanDerWaalsContact CA-O 3.23Å; T329-I369 WeakPolarHBondContact CA-O 2.95Å; T329-N370 WeakPolarHBondContact CG2-OD1 3.37Å; T329-N370 WeakPolarHBondContact OG1-CA 3Å; T329-N370 PolarHBondContact OG1-OD1 3.12Å
330A91.4Very high88.6Confident0 Ų060.8 Ų60.80%033%0.331CS..EExtended strand (participates in β ladder)trans-87.1144.8166.400000110.8L324 F332 L368 I369 L372 L397L324-A330 HydrophobicContact CD1-CB 3.86Å; A330-F332 HydrophobicContact CB-CE2 4.07Å; A330-F332 HydrophobicContact CB-CZ 4.47Å; A330-L368 WeakPolarHBondContact O-CA 3.37Å; A330-I369 HydrophobicContact CB-CB 4.28Å; A330-I369 PolarHBondContact N-O 3.44Å; A330-I369 PolarHBondContact O-N 2.81Å; A330-L372 HydrophobicContact CB-CD1 4.2Å; A330-L372 HydrophobicContact CB-CD2 4.08Å; A330-L372 HydrophobicContact CB-CG 4.5Å; A330-L397 HydrophobicContact CB-CD1 4.18Å; A330-L397 HydrophobicContact CB-CD2 4.3Å
331R93.6Very high88.6Confident143 Ų14359 Ų5954%0.5432%0.321SS..EExtended strand (participates in β ladder)trans-133.2118.7173.5177.2176.4175.5102.51.5109V366 L367 L368R331-V366 HydrophobicContact CG-CG1 4.28Å; R331-L367 WeakPolarHBondContact CA-O 3.31Å; R331-L368 HydrophobicContact CB-CD2 3.63Å; R331-L368 HydrophobicContact CG-CD2 3.63Å
332F93.8Very high88.6Confident2 Ų255.5 Ų55.51%0.00930%0.296CS..EExtended strand (participates in β ladder)trans-107.4133.9169.7-57.6-79000109.3P319 E320 V322 A330 W346 V366 L367 I369 Y380 A395 L397P319-F332 HydrophobicContact CB-CB 4.04Å; P319-F332 HydrophobicContact CB-CD1 4.22Å; E320-F332 WeakPolarHBondContact O-CD1 3.42Å; E320-F332 VanDerWaalsContact O-CE1 3.27Å; E320-F332 WeakPolarHBondContact O-CE1 3.49Å; V322-F332 HydrophobicContact CG2-CE1 3.89Å; V322-F332 HydrophobicContact CG2-CZ 3.84Å; A330-F332 HydrophobicContact CB-CE2 4.07Å; A330-F332 HydrophobicContact CB-CZ 4.47Å; F332-W346 HydrophobicContact CB-CH2 3.45Å; F332-W346 VanDerWaalsContact CB-CH2 3.45Å; F332-W346 HydrophobicContact CB-CZ2 4.09Å; F332-W346 HydrophobicContact CB-CZ3 3.97Å; F332-W346 HydrophobicContact CG-CH2 4.44Å; F332-V366 WeakPolarHBondContact O-CA 3.37Å; F332-L367 HydrophobicContact CB-CB 4.35Å; F332-L367 HydrophobicContact CD2-CD2 4.05Å; F332-L367 HydrophobicContact CD2-CG 4.36Å; F332-L367 PolarHBondContact N-O 2.03Å; F332-L367 PolarHBondContact O-N 2.92Å; F332-I369 HydrophobicContact CE2-CD1 4.12Å; F332-Y380 HydrophobicContact CE2-CD1 4.49Å; F332-Y380 HydrophobicContact CE2-CD2 4.2Å; F332-Y380 HydrophobicContact CE2-CG 4.15Å; F332-Y380 HydrophobicContact CZ-CD2 4.28Å; F332-A395 HydrophobicContact CD1-CB 3.79Å; F332-A395 HydrophobicContact CE1-CB 3.77Å; F332-L397 HydrophobicContact CE2-CD2 4.3Å; F332-L397 HydrophobicContact CZ-CB 3.99Å; F332-L397 HydrophobicContact CZ-CD1 4.33Å; F332-L397 HydrophobicContact CZ-CD2 4.33Å; F332-L397 HydrophobicContact CZ-CG 4.45Å
333L92.3Very high88.6Confident72 Ų7258.7 Ų58.738%0.37732%0.316SS..EExtended strand (participates in β ladder)trans-111.2134.2176.1175.364.7000108.7P319 V366P319-L333 WeakPolarHBondContact CA-O 3.3Å; P319-L333 WeakPolarHBondContact CB-O 3.18Å; L333-V366 HydrophobicContact CD1-CG2 3.66Å
334C92.9Very high88.8Confident0 Ų056.6 Ų56.60%030%0.298CS..  trans-138.6118.8174.7177.50000108.8H317 W346 G365 C382H317-C334 WeakPolarHBondContact O-CA 3.43Å; C334-W346 HydrophobicContact CB-CH2 3.99Å; C334-W346 HydrophobicContact CB-CZ2 3.63Å; C334-G365 PolarHBondContact N-O 3.46Å; C334-G365 WeakPolarHBondContact O-CA 3.24Å; C334-C382 HydrophobicContact CB-CB 3.56Å; C334-C382 WeakPolarHBondContact CB-SG 3.34Å; C334-C382 WeakPolarHBondContact SG-CB 3.43Å; C334-C382 CovalentContact SG-SG 2.03Å; C334-C382 PolarHBondContact SG-SG 3.01Å
335N91.3Very high89Confident57 Ų5757.5 Ų57.531%0.30530%0.301SS..EExtended strand (participates in β ladder)trans-114.9135.8176.7-73.3-17000110.1I315 V316 H317I315-N335 CarbonylContact C-O 3.43Å; V316-N335 PolarHBondContact N-O 2.88Å; H317-N335 HydrophobicContact CB-CB 4.01Å; H317-N335 PolarHBondContact N-O 3.06Å; H317-N335 VanDerWaalsContact N-O 3.16Å; H317-N335 PolarHBondContact O-N 3.31Å; H317-N335 VanDerWaalsContact O-N 3.1Å
336S91.1Very high89.5Confident12 Ų1256.9 Ų56.98%0.08430%0.295CS..EExtended strand (participates in β ladder)trans-124.5160.1179.653.10000112.3V314 F341 L344V314-S336 CarbonylContact O-C 3.48Å; V314-S336 VanDerWaalsContact O-CA 3.31Å; V314-S336 WeakPolarHBondContact O-CA 3.13Å; S336-F341 WeakPolarHBondContact O-CE2 3.12Å; S336-L344 WeakPolarHBondContact OG-CD2 3.17Å
337S90.2Very high89.9Confident35 Ų3549.8 Ų49.825%0.24527%0.27CS..EExtended strand (participates in β ladder)trans-132.9158.6167.971.30000109.7P313 V314P313-S337 CarbonylContact C-O 3.5Å; P313-S337 VanDerWaalsContact CA-O 3.3Å; P313-S337 WeakPolarHBondContact CA-O 3.38Å; V314-S337 PolarHBondContact N-O 2.98Å; V314-S337 PolarHBondContact O-N 2.83Å
338G88.1Confident90.5Very high6 Ų649.7 Ų49.76%0.06226%0.256CS..EExtended strand (participates in β ladder)trans164.7164.9-178.200000108.9P340G338-P340 CarbonylContact C-O 3.56Å; G338-P340 VanDerWaalsContact C-O 3.28Å; G338-P340 CarbonylContact O-C 3.58Å
339E88.5Confident90.4Very high102 Ų10248.3 Ų48.348%0.47725%0.249SC..EExtended strand (participates in β ladder)trans-138.3109.3178.3-169.760.4-115.800109.4A310 A311A310-E339 CarbonylContact C-O 3.59Å; A310-E339 VanDerWaalsContact CA-O 3.28Å; A310-E339 WeakPolarHBondContact CA-O 3.33Å; A310-E339 WeakPolarHBondContact CB-O 3.49Å; A311-E339 HydrophobicContact CB-CB 4.18Å; A311-E339 PolarHBondContact N-O 3.44Å; A311-E339 PolarHBondContact O-N 3.42Å
340P89.9Confident89.9Confident82 Ų8245.7 Ų45.753%0.53224%0.236SC..SBendcis-60.2156.6-1.4-23.535.2000114G338 N386G338-P340 CarbonylContact C-O 3.56Å; G338-P340 VanDerWaalsContact C-O 3.28Å; G338-P340 CarbonylContact O-C 3.58Å; P340-N386 PolarHBondContact O-ND2 3.39Å
341F88.8Confident89.6Confident120 Ų12052.3 Ų52.353%0.52627%0.266SS..PPolyproline II helixtrans-57.4127.6179.4-171.8-87.4000111S336S336-F341 WeakPolarHBondContact O-CE2 3.12Å
342P90.2Very high89.2Confident3 Ų349.8 Ų49.82%0.01927%0.269CS..PPolyproline II helixtrans-77147.8-170.229.9-35.5000113.6P313 A384 E385 N386P313-P342 HydrophobicContact CB-CB 3.84Å; P313-P342 HydrophobicContact CB-CG 4Å; P342-A384 HydrophobicContact CB-CB 4.17Å; P342-A384 HydrophobicContact CG-CB 4.23Å; P342-E385 CarbonylContact C-O 3.19Å; P342-E385 WeakPolarHBondContact CA-O 3.38Å; P342-E385 VanDerWaalsContact CB-O 3.3Å; P342-E385 WeakPolarHBondContact CB-O 3.29Å; P342-N386 HydrophobicContact CB-CB 4.24Å
343V90.4Very high88.9Confident103 Ų10351 Ų5162%0.62428%0.275SS*.EExtended strand (participates in β ladder)trans-77.5127.4174.7-178.60000109A384 E385V343-A384 WeakPolarHBondContact O-CA 3.47Å; V343-E385 PolarHBondContact N-O 2.86Å; V343-E385 PolarHBondContact O-N 3.05Å
344L90.3Very high88.1Confident29 Ų2958.2 Ų58.215%0.15230%0.297CS..EExtended strand (participates in β ladder)trans-97127.3178.5-70.9-179.4000111.8S336 P364 I383 A384S336-L344 WeakPolarHBondContact OG-CD2 3.17Å; L344-P364 HydrophobicContact CD1-CB 4.24Å; L344-I383 WeakPolarHBondContact CA-O 3.18Å; L344-A384 HydrophobicContact CD2-CB 3.52Å
345H89Confident87.1Confident66 Ų6661.9 Ų61.931%0.30632%0.323SS..EExtended strand (participates in β ladder)trans-134.2156.6173.556.7-90.3000111.9I383 E385H345-I383 PolarHBondContact N-O 3.27Å; H345-I383 WeakPolarHBondContact NE2-CB 3.44Å; H345-I383 WeakPolarHBondContact NE2-CG2 3.41Å; H345-I383 PolarHBondContact O-N 3.3Å; H345-E385 IonicContact CE1-OE2 3.84Å; H345-E385 PolarHBondContact CE1-OE2 3.35Å
346W91.4Very high85.9Confident8 Ų865.9 Ų65.93%0.0334%0.338CS..EExtended strand (participates in β ladder)trans-119.4135.8-175.4-73.890.6000112.1P319 F332 C334 I353 G365 L367 Q381 C382P319-W346 HydrophobicContact CB-CH2 3.78Å; P319-W346 HydrophobicContact CB-CZ3 4.29Å; P319-W346 HydrophobicContact CG-CH2 3.88Å; P319-W346 HydrophobicContact CG-CZ3 4.09Å; F332-W346 HydrophobicContact CB-CH2 3.45Å; F332-W346 VanDerWaalsContact CB-CH2 3.45Å; F332-W346 HydrophobicContact CB-CZ2 4.09Å; F332-W346 HydrophobicContact CB-CZ3 3.97Å; F332-W346 HydrophobicContact CG-CH2 4.44Å; C334-W346 HydrophobicContact CB-CH2 3.99Å; C334-W346 HydrophobicContact CB-CZ2 3.63Å; W346-I353 HydrophobicContact CB-CB 4.37Å; W346-I353 HydrophobicContact CB-CD1 3.81Å; W346-I353 HydrophobicContact CB-CG1 4.3Å; W346-I353 PolarHBondContact O-N 3.19Å; W346-G365 WeakPolarHBondContact CZ2-O 3.32Å; W346-L367 HydrophobicContact CD2-CB 3.84Å; W346-L367 HydrophobicContact CD2-CD2 3.99Å; W346-L367 HydrophobicContact CE3-CB 4.34Å; W346-L367 HydrophobicContact CE3-CD2 3.88Å; W346-L367 HydrophobicContact CG-CB 4.18Å; W346-L367 HydrophobicContact CG-CD2 4.3Å; W346-L367 HydrophobicContact CH2-CB 4.47Å; W346-L367 HydrophobicContact CZ2-CB 3.99Å; W346-L367 HydrophobicContact CZ3-CD2 4.43Å; W346-Q381 CarbonylContact C-O 3.53Å; W346-Q381 VanDerWaalsContact CA-O 3.31Å; W346-Q381 WeakPolarHBondContact CA-O 3.35Å; W346-C382 HydrophobicContact CD2-CB 4.21Å; W346-C382 HydrophobicContact CE3-CB 4.03Å; W346-C382 HydrophobicContact CH2-CB 3.81Å; W346-C382 HydrophobicContact CZ2-CB 4Å; W346-C382 HydrophobicContact CZ3-CB 3.83Å
347L89.3Confident85.2Confident15 Ų1575.2 Ų75.28%0.07937%0.371CS..EExtended strand (participates in β ladder)trans-108149.9167.1-46.2-176.2000110.5Q351 P352 Y380 Q381 I383L347-Q351 CarbonylContact C-O 3.44Å; L347-Q351 VanDerWaalsContact CA-O 3.24Å; L347-Q351 WeakPolarHBondContact CA-O 3.27Å; L347-P352 HydrophobicContact CD2-CB 4.2Å; L347-P352 HydrophobicContact CD2-CG 4.01Å; L347-Y380 WeakPolarHBondContact O-CA 3.3Å; L347-Q381 HydrophobicContact CB-CB 4.22Å; L347-Q381 PolarHBondContact N-O 3.13Å; L347-Q381 PolarHBondContact O-N 3.3Å; L347-I383 HydrophobicContact CD1-CD1 3.64Å; L347-I383 HydrophobicContact CD2-CD1 4.45Å; L347-I383 HydrophobicContact CG-CD1 3.87Å
348K90.9Very high85Confident44 Ų4475.8 Ų75.819%0.19137%0.368CS..EExtended strand (participates in β ladder)trans-121.7123.9165177.4-170.7179.7-171.40107.8G350 Q351 I353 M359 E375 D376 Y379 Y380K348-G350 PolarHBondContact O-N 3.24Å; K348-Q351 PolarHBondContact N-O 3.3Å; K348-Q351 PolarHBondContact O-N 3.41Å; K348-I353 HydrophobicContact CB-CD1 3.87Å; K348-I353 HydrophobicContact CB-CG1 3.77Å; K348-M359 HydrophobicContact CD-CE 4.35Å; K348-E375 WeakPolarHBondContact CE-O 3.38Å; K348-E375 PolarHBondContact NZ-O 3.28Å; K348-D376 IonicContact NZ-OD1 3.53Å; K348-Y379 CarbonylContact C-O 3.58Å; K348-Y379 WeakPolarHBondContact CA-O 3.35Å; K348-Y380 HydrophobicContact CB-CD1 4.19Å; K348-Y380 HydrophobicContact CB-CE1 3.83Å; K348-Y380 HydrophobicContact CD-CE1 4.02Å; K348-Y380 VanDerWaalsContact CD-OH 3.32Å; K348-Y380 WeakPolarHBondContact CD-OH 3.19Å; K348-Y380 VanDerWaalsContact CE-OH 3.24Å; K348-Y380 WeakPolarHBondContact CE-OH 3.38Å; K348-Y380 HydrophobicContact CG-CD1 4.4Å; K348-Y380 HydrophobicContact CG-CE1 3.78Å; K348-Y380 HydrophobicContact CG-CE2 4.22Å
349N85.3Confident85Confident48 Ų4876.8 Ų76.826%0.25737%0.372SS..THydrogen-bonded Turntrans48.245.9-177.6-63.6-23.7000112.6G110 A111 Q351 G378 Y379G110-N349 WeakPolarHBondContact CA-OD1 3.23Å; A111-N349 CarbonylContact O-C 3.57Å; A111-N349 VanDerWaalsContact O-C 3.25Å; A111-N349 WeakPolarHBondContact O-CA 3.45Å; N349-Q351 VanDerWaalsContact C-N 3.26Å; N349-Q351 PolarHBondContact O-N 2.58Å; N349-G378 WeakPolarHBondContact OD1-CA 3.37Å; N349-Y379 PolarHBondContact N-O 3.36Å; N349-Y379 PolarHBondContact OD1-N 3.16Å
350G78.8Confident84.9Confident13 Ų1377.5 Ų77.513%0.13437%0.373CS..THydrogen-bonded Turntrans73.6-1.9-176.700000116.8A111 T113 K348A111-G350 PolarHBondContact O-N 3.46Å; T113-G350 WeakPolarHBondContact OG1-CA 3.32Å; K348-G350 PolarHBondContact O-N 3.24Å
351Q84.6Confident84.7Confident138 Ų13876 Ų7665%0.64536%0.362SS*.EExtended strand (participates in β ladder)trans-106.5138.1-177.8-67.5-62.8-4100112.7L347 K348 N349 I353L347-Q351 CarbonylContact C-O 3.44Å; L347-Q351 VanDerWaalsContact CA-O 3.24Å; L347-Q351 WeakPolarHBondContact CA-O 3.27Å; K348-Q351 PolarHBondContact N-O 3.3Å; K348-Q351 PolarHBondContact O-N 3.41Å; N349-Q351 VanDerWaalsContact C-N 3.26Å; N349-Q351 PolarHBondContact O-N 2.58Å; Q351-I353 PolarHBondContact O-N 3.06Å
352P87.1Confident84.4Confident91 Ų9174.4 Ų74.459%0.59136%0.357SS*.EExtended strand (participates in β ladder)trans-60.1127.3180-25.134.3000113.9L347 R354L347-P352 HydrophobicContact CD2-CB 4.2Å; L347-P352 HydrophobicContact CD2-CG 4.01Å; P352-R354 PolarHBondContact O-N 3.44Å
353I87.2Confident83.6Confident28 Ų2880.1 Ų80.114%0.14440%0.396CS..  trans-77.1111176.3-57179.9000109.2W346 K348 Q351 M359 L367 Y380W346-I353 HydrophobicContact CB-CB 4.37Å; W346-I353 HydrophobicContact CB-CD1 3.81Å; W346-I353 HydrophobicContact CB-CG1 4.3Å; W346-I353 PolarHBondContact O-N 3.19Å; K348-I353 HydrophobicContact CB-CD1 3.87Å; K348-I353 HydrophobicContact CB-CG1 3.77Å; Q351-I353 PolarHBondContact O-N 3.06Å; I353-M359 HydrophobicContact CD1-CE 3.81Å; I353-M359 HydrophobicContact CG1-CE 4.28Å; I353-M359 HydrophobicContact CG2-CB 4.46Å; I353-M359 HydrophobicContact CG2-CE 3.74Å; I353-M359 HydrophobicContact CG2-SD 4.31Å; I353-L367 HydrophobicContact CD1-CD1 4.25Å; I353-L367 HydrophobicContact CD1-CD2 3.59Å; I353-L367 HydrophobicContact CG2-CD1 4.43Å; I353-Y380 HydrophobicContact CD1-CD1 3.76Å; I353-Y380 HydrophobicContact CD1-CE1 3.78Å
354R75.4Confident82.6Confident222 Ų22278.9 Ų78.984%0.83839%0.391SS*.  trans-82.7126.9165.4-63.5-180-179.2158.71.6109P352 F356P352-R354 PolarHBondContact O-N 3.44Å; R354-F356 PolarHBondContact O-N 3.15Å
355S71.4Confident82.3Confident78 Ų7877.7 Ų77.755%0.54539%0.385SS..  trans-57.5108.5174.6-71.30000110.8V361S355-V361 PolarHBondContact OG-N 2.88Å
356F67.1Low82.4Confident140 Ų14075.2 Ų75.261%0.61438%0.375SS*.BIsolated β-bridgetrans-154.5136.5-174-172.8-116.1000111.8R354 R358 M359R354-F356 PolarHBondContact O-N 3.15Å; F356-R358 PolarHBondContact O-N 3.48Å; F356-M359 PolarHBondContact N-O 3.05Å; F356-M359 VanDerWaalsContact N-O 3.15Å; F356-M359 PolarHBondContact O-N 3.29Å
357R76.3Confident82.4Confident208 Ų20874.8 Ų74.879%0.78537%0.373SS*.THydrogen-bonded Turntrans46.9-100.8179.1-65.1177.2179-163.30.5113.4
358R85.4Confident82.6Confident47 Ų4775.3 Ų75.318%0.17738%0.376CS..THydrogen-bonded Turntrans-80.6-26.1-172-67.4-171.3-56.593.8-1112.6F356 N370 Q371 E375 D376F356-R358 PolarHBondContact O-N 3.48Å; R358-N370 WeakPolarHBondContact CB-O 3.45Å; R358-N370 WeakPolarHBondContact CD-O 3.35Å; R358-N370 PolarHBondContact NH1-O 3.43Å; R358-N370 VanDerWaalsContact NH1-O 3.12Å; R358-N370 PolarHBondContact O-N 3.05Å; R358-N370 PolarHBondContact O-ND2 3.39Å; R358-Q371 PolarHBondContact NH1-O 3.23Å; R358-Q371 VanDerWaalsContact NH1-O 3.09Å; R358-E375 IonicContact CZ-OE1 3.64Å; R358-E375 IonicContact NH2-OE1 3.74Å; R358-E375 PolarHBondContact NH2-OE1 3.46Å; R358-D376 IonicContact CZ-OD1 2.76Å; R358-D376 IonicContact CZ-OD2 2.79Å; R358-D376 VanDerWaalsContact CZ-OD2 3.3Å; R358-D376 IonicContact NH1-OD1 2.88Å; R358-D376 IonicContact NH1-OD2 3.8Å; R358-D376 PolarHBondContact NH1-OD2 3.25Å; R358-D376 VanDerWaalsContact NH2-CG 3.34Å; R358-D376 IonicContact NH2-OD1 3.83Å; R358-D376 PolarHBondContact NH2-OD1 3.46Å; R358-D376 IonicContact NH2-OD2 3.75Å; R358-D376 PolarHBondContact NH2-OD2 3.45Å; R358-D376 VanDerWaalsContact NH2-OD2 3.08Å
359M88.1Confident82.7Confident28 Ų2873.2 Ų73.214%0.13837%0.367CS..EExtended strand (participates in β ladder)trans-96.8123.3-176.7-57.5-179.281.100110.6K348 I353 F356 L368 I369 Y380K348-M359 HydrophobicContact CD-CE 4.35Å; I353-M359 HydrophobicContact CD1-CE 3.81Å; I353-M359 HydrophobicContact CG1-CE 4.28Å; I353-M359 HydrophobicContact CG2-CB 4.46Å; I353-M359 HydrophobicContact CG2-CE 3.74Å; I353-M359 HydrophobicContact CG2-SD 4.31Å; F356-M359 PolarHBondContact N-O 3.05Å; F356-M359 VanDerWaalsContact N-O 3.15Å; F356-M359 PolarHBondContact O-N 3.29Å; M359-L368 CarbonylContact C-O 3.57Å; M359-L368 WeakPolarHBondContact CA-O 3.36Å; M359-I369 HydrophobicContact CE-CD1 3.97Å; M359-I369 HydrophobicContact CE-CG1 4.12Å; M359-I369 HydrophobicContact CG-CG1 4.29Å; M359-I369 HydrophobicContact CG-CG2 4.12Å; M359-Y380 HydrophobicContact CE-CE1 3.8Å
360K85.8Confident82.9Confident117 Ų11773.5 Ų73.551%0.50937%0.368SS..EExtended strand (participates in β ladder)trans-127.6117.9177.6-65.6-171.4177.6-174.70110.2L368K360-L368 HydrophobicContact CB-CB 4.5Å; K360-L368 PolarHBondContact N-O 2.93Å; K360-L368 PolarHBondContact O-N 3.04Å
361V86.4Confident83.2Confident50 Ų5079.4 Ų79.430%0.30339%0.392SS..EExtended strand (participates in β ladder)trans-85.5124.4164.8-176.90000108.1S355 V366 L367S355-V361 PolarHBondContact OG-N 2.88Å; V361-V366 CarbonylContact C-O 3.59Å; V361-V366 WeakPolarHBondContact CA-O 3.45Å; V361-L367 HydrophobicContact CG2-CD1 4.03Å
362Q82.6Confident83.3Confident87 Ų8772.9 Ų72.941%0.40736%0.362SS..EExtended strand (participates in β ladder)trans-109.9142.7175.2-64.8179.6-2100109.7P364 G365 V366Q362-P364 CarbonylContact O-C 3.58Å; Q362-G365 PolarHBondContact O-N 3.15Å; Q362-V366 HydrophobicContact CB-CB 4.18Å; Q362-V366 PolarHBondContact N-O 3.02Å; Q362-V366 PolarHBondContact O-N 3.26Å; Q362-V366 VanDerWaalsContact O-N 3.09Å
363S73.9Confident83.2Confident122 Ų12269.9 Ų69.985%0.85334%0.344SS*.THydrogen-bonded Turntrans-86.2137.3-177.653.50000112.8
364P68.7Low82.9Confident78 Ų7873.4 Ų73.451%0.50636%0.363SS..THydrogen-bonded Turncis-87.1132.7-17.733.5-28.5000110.9L344 Q362 V366L344-P364 HydrophobicContact CD1-CB 4.24Å; Q362-P364 CarbonylContact O-C 3.58Å; P364-V366 PolarHBondContact O-N 2.69Å
365G83.4Confident83.3Confident4 Ų469.5 Ų69.54%0.04135%0.354CS..THydrogen-bonded Turntrans79.914.2157.400000119.1C334 W346 Q362C334-G365 PolarHBondContact N-O 3.46Å; C334-G365 WeakPolarHBondContact O-CA 3.24Å; W346-G365 WeakPolarHBondContact CZ2-O 3.32Å; Q362-G365 PolarHBondContact O-N 3.15Å
366V90.9Very high84.2Confident13 Ų1365.9 Ų65.98%0.07933%0.329CS..EExtended strand (participates in β ladder)trans-105.1127.1174.9174.70000110.9R331 F332 L333 V361 Q362 P364 L368R331-V366 HydrophobicContact CG-CG1 4.28Å; F332-V366 WeakPolarHBondContact O-CA 3.37Å; L333-V366 HydrophobicContact CD1-CG2 3.66Å; V361-V366 CarbonylContact C-O 3.59Å; V361-V366 WeakPolarHBondContact CA-O 3.45Å; Q362-V366 HydrophobicContact CB-CB 4.18Å; Q362-V366 PolarHBondContact N-O 3.02Å; Q362-V366 PolarHBondContact O-N 3.26Å; Q362-V366 VanDerWaalsContact O-N 3.09Å; P364-V366 PolarHBondContact O-N 2.69Å; V366-L368 HydrophobicContact CG1-CD2 4.37Å; V366-L368 HydrophobicContact CG1-CG 4.17Å
367L92.9Very high85.2Confident0 Ų061 Ų610%031%0.314CS..EExtended strand (participates in β ladder)trans-108.1120.6170.2172.764.9000109.8R331 F332 W346 I353 V361 I369 Y380R331-L367 WeakPolarHBondContact CA-O 3.31Å; F332-L367 HydrophobicContact CB-CB 4.35Å; F332-L367 HydrophobicContact CD2-CD2 4.05Å; F332-L367 HydrophobicContact CD2-CG 4.36Å; F332-L367 PolarHBondContact N-O 2.03Å; F332-L367 PolarHBondContact O-N 2.92Å; W346-L367 HydrophobicContact CD2-CB 3.84Å; W346-L367 HydrophobicContact CD2-CD2 3.99Å; W346-L367 HydrophobicContact CE3-CB 4.34Å; W346-L367 HydrophobicContact CE3-CD2 3.88Å; W346-L367 HydrophobicContact CG-CB 4.18Å; W346-L367 HydrophobicContact CG-CD2 4.3Å; W346-L367 HydrophobicContact CH2-CB 4.47Å; W346-L367 HydrophobicContact CZ2-CB 3.99Å; W346-L367 HydrophobicContact CZ3-CD2 4.43Å; I353-L367 HydrophobicContact CD1-CD1 4.25Å; I353-L367 HydrophobicContact CD1-CD2 3.59Å; I353-L367 HydrophobicContact CG2-CD1 4.43Å; V361-L367 HydrophobicContact CG2-CD1 4.03Å; L367-I369 HydrophobicContact CD1-CG1 4.39Å; L367-I369 HydrophobicContact CD2-CD1 4.38Å; L367-I369 HydrophobicContact CG-CG1 4.23Å; L367-Y380 HydrophobicContact CD2-CD1 3.42Å; L367-Y380 VanDerWaalsContact CD2-CD1 3.42Å; L367-Y380 HydrophobicContact CD2-CE1 3.81Å; L367-Y380 HydrophobicContact CD2-CG 4.41Å
368L92.4Very high85.7Confident26 Ų2651 Ų5114%0.13628%0.277CS..EExtended strand (participates in β ladder)trans-107.6134.8171.6-66174.6000110.4T329 A330 R331 M359 K360 V366T329-L368 HydrophobicContact CG2-CD2 4.48Å; A330-L368 WeakPolarHBondContact O-CA 3.37Å; R331-L368 HydrophobicContact CB-CD2 3.63Å; R331-L368 HydrophobicContact CG-CD2 3.63Å; M359-L368 CarbonylContact C-O 3.57Å; M359-L368 WeakPolarHBondContact CA-O 3.36Å; K360-L368 HydrophobicContact CB-CB 4.5Å; K360-L368 PolarHBondContact N-O 2.93Å; K360-L368 PolarHBondContact O-N 3.04Å; V366-L368 HydrophobicContact CG1-CD2 4.37Å; V366-L368 HydrophobicContact CG1-CG 4.17Å
369I93.3Very high85.8Confident0 Ų049.6 Ų49.60%027%0.271CS..EExtended strand (participates in β ladder)trans-126.7101.6174.3-50173.5000107.5T329 A330 F332 M359 L367 L372 D376 Y380 L397T329-I369 CarbonylContact C-O 3.59Å; T329-I369 VanDerWaalsContact CA-O 3.23Å; T329-I369 WeakPolarHBondContact CA-O 2.95Å; A330-I369 HydrophobicContact CB-CB 4.28Å; A330-I369 PolarHBondContact N-O 3.44Å; A330-I369 PolarHBondContact O-N 2.81Å; F332-I369 HydrophobicContact CE2-CD1 4.12Å; M359-I369 HydrophobicContact CE-CD1 3.97Å; M359-I369 HydrophobicContact CE-CG1 4.12Å; M359-I369 HydrophobicContact CG-CG1 4.29Å; M359-I369 HydrophobicContact CG-CG2 4.12Å; L367-I369 HydrophobicContact CD1-CG1 4.39Å; L367-I369 HydrophobicContact CD2-CD1 4.38Å; L367-I369 HydrophobicContact CG-CG1 4.23Å; I369-L372 HydrophobicContact CB-CD2 4.22Å; I369-L372 HydrophobicContact CG2-CD2 3.81Å; I369-D376 HydrophobicContact CG2-CB 4.45Å; I369-Y380 HydrophobicContact CD1-CD1 4.39Å; I369-Y380 HydrophobicContact CD1-CE1 3.51Å; I369-Y380 HydrophobicContact CD1-CE2 4.33Å; I369-Y380 VanDerWaalsContact CD1-CZ 3.47Å; I369-Y380 VanDerWaalsContact CD1-OH 3.31Å; I369-Y380 WeakPolarHBondContact CD1-OH 3.49Å; I369-L397 HydrophobicContact CD1-CD2 3.93Å
370N89.4Confident86Confident53 Ų5348.2 Ų48.228%0.28327%0.265SS..  trans-83.2153.6-179.8-61.4-66000111.6T329 R358 L372T329-N370 WeakPolarHBondContact CG2-OD1 3.37Å; T329-N370 WeakPolarHBondContact OG1-CA 3Å; T329-N370 PolarHBondContact OG1-OD1 3.12Å; R358-N370 WeakPolarHBondContact CB-O 3.45Å; R358-N370 WeakPolarHBondContact CD-O 3.35Å; R358-N370 PolarHBondContact NH1-O 3.43Å; R358-N370 VanDerWaalsContact NH1-O 3.12Å; R358-N370 PolarHBondContact O-N 3.05Å; R358-N370 PolarHBondContact O-ND2 3.39Å; N370-L372 PolarHBondContact O-N 2.82Å
371Q84.6Confident86.2Confident137 Ų13742.7 Ų42.764%0.6424%0.241SC*.SBendtrans50.361.7175.5-63.8177.2-16.400112G327 N328 R358 A373G327-Q371 WeakPolarHBondContact O-CA 3.42Å; N328-Q371 PolarHBondContact O-N 2.86Å; N328-Q371 VanDerWaalsContact O-N 3.16Å; R358-Q371 PolarHBondContact NH1-O 3.23Å; R358-Q371 VanDerWaalsContact NH1-O 3.09Å; Q371-A373 PolarHBondContact O-N 2.9Å
372L87.2Confident86.5Confident2 Ų240.3 Ų40.31%0.0123%0.226CC..  trans-51129-175.7-77.5170.5000112.6L324 R326 G327 N328 A330 I369 N370 D376 L397 V399L324-L372 HydrophobicContact CB-CD1 3.55Å; L324-L372 HydrophobicContact CD1-CD1 3.95Å; L324-L372 HydrophobicContact CG-CD1 4.41Å; R326-L372 CarbonylContact C-O 3.54Å; R326-L372 WeakPolarHBondContact CA-O 3.4Å; R326-L372 WeakPolarHBondContact CG-O 3.33Å; G327-L372 PolarHBondContact N-O 2.85Å; N328-L372 HydrophobicContact CB-CD1 4.24Å; N328-L372 VanDerWaalsContact O-CG 3.3Å; N328-L372 WeakPolarHBondContact O-CG 3.29Å; N328-L372 PolarHBondContact O-N 2.81Å; A330-L372 HydrophobicContact CB-CD1 4.2Å; A330-L372 HydrophobicContact CB-CD2 4.08Å; A330-L372 HydrophobicContact CB-CG 4.5Å; I369-L372 HydrophobicContact CB-CD2 4.22Å; I369-L372 HydrophobicContact CG2-CD2 3.81Å; N370-L372 PolarHBondContact O-N 2.82Å; L372-D376 WeakPolarHBondContact CA-OD2 3.37Å; L372-D376 HydrophobicContact CD2-CB 3.93Å; L372-L397 HydrophobicContact CD1-CD1 4.48Å; L372-L397 HydrophobicContact CD2-CD1 4.42Å; L372-L397 HydrophobicContact CD2-CD2 3.75Å; L372-V399 HydrophobicContact CB-CG1 4.39Å; L372-V399 HydrophobicContact CD2-CG2 4.37Å
373A85.4Confident86.7Confident27 Ų2737.4 Ų37.422%0.22321%0.213CC..  trans-112.7162173.400000110.2Q371 E375 D376Q371-A373 PolarHBondContact O-N 2.9Å; A373-E375 HydrophobicContact CB-CG 3.8Å; A373-E375 PolarHBondContact O-N 2.77Å; A373-D376 PolarHBondContact N-OD2 3.45Å; A373-D376 VanDerWaalsContact O-CB 3.29Å; A373-D376 WeakPolarHBondContact O-CB 3.43Å; A373-D376 PolarHBondContact O-N 3.02Å
374L80Confident87.5Confident102 Ų10231.6 Ų31.653%0.53417%0.173SC..G310 helixtrans-58.5-35.9-179.2-76173.2000112.9D376 A377 V399 V401L374-D376 PolarHBondContact O-N 2.82Å; L374-D376 VanDerWaalsContact O-N 3.13Å; L374-A377 WeakPolarHBondContact O-CB 3.45Å; L374-A377 PolarHBondContact O-N 3.44Å; L374-A377 VanDerWaalsContact O-N 3.17Å; L374-V399 HydrophobicContact CD2-CG1 4.38Å; L374-V401 HydrophobicContact CD1-CG2 4.27Å; L374-V401 HydrophobicContact CD2-CG2 3.68Å; L374-V401 HydrophobicContact CG-CG2 4.32Å
375E85Confident88.4Confident140 Ų14032.5 Ų32.565%0.65417%0.17SC*.G310 helixtrans-58.9-18.5173.463.6-178.9-167.400114K348 R358 A373K348-E375 WeakPolarHBondContact CE-O 3.38Å; K348-E375 PolarHBondContact NZ-O 3.28Å; R358-E375 IonicContact CZ-OE1 3.64Å; R358-E375 IonicContact NH2-OE1 3.74Å; R358-E375 PolarHBondContact NH2-OE1 3.46Å; A373-E375 HydrophobicContact CB-CG 3.8Å; A373-E375 PolarHBondContact O-N 2.77Å
376D89.1Confident88.6Confident2 Ų233.2 Ų33.21%0.01117%0.173CC..G310 helixtrans-79.8-15.8178.8-59.4-37.1000113.3K348 R358 I369 L372 A373 L374 Y380 L397 V399K348-D376 IonicContact NZ-OD1 3.53Å; R358-D376 IonicContact CZ-OD1 2.76Å; R358-D376 IonicContact CZ-OD2 2.79Å; R358-D376 VanDerWaalsContact CZ-OD2 3.3Å; R358-D376 IonicContact NH1-OD1 2.88Å; R358-D376 IonicContact NH1-OD2 3.8Å; R358-D376 PolarHBondContact NH1-OD2 3.25Å; R358-D376 VanDerWaalsContact NH2-CG 3.34Å; R358-D376 IonicContact NH2-OD1 3.83Å; R358-D376 PolarHBondContact NH2-OD1 3.46Å; R358-D376 IonicContact NH2-OD2 3.75Å; R358-D376 PolarHBondContact NH2-OD2 3.45Å; R358-D376 VanDerWaalsContact NH2-OD2 3.08Å; I369-D376 HydrophobicContact CG2-CB 4.45Å; L372-D376 WeakPolarHBondContact CA-OD2 3.37Å; L372-D376 HydrophobicContact CD2-CB 3.93Å; A373-D376 PolarHBondContact N-OD2 3.45Å; A373-D376 VanDerWaalsContact O-CB 3.29Å; A373-D376 WeakPolarHBondContact O-CB 3.43Å; A373-D376 PolarHBondContact O-N 3.02Å; L374-D376 PolarHBondContact O-N 2.82Å; L374-D376 VanDerWaalsContact O-N 3.13Å; D376-Y380 WeakPolarHBondContact O-CE2 3.46Å; D376-Y380 PolarHBondContact O-OH 3.45Å; D376-L397 HydrophobicContact CB-CD2 4.18Å; D376-L397 WeakPolarHBondContact O-CD2 3.41Å; D376-V399 HydrophobicContact CB-CG2 4.38Å
377A87.4Confident88.1Confident37 Ų3736.7 Ų36.731%0.30621%0.211SC..  trans-60.8148.6175.800000111.8L374 L397 V399L374-A377 WeakPolarHBondContact O-CB 3.45Å; L374-A377 PolarHBondContact O-N 3.44Å; L374-A377 VanDerWaalsContact O-N 3.17Å; A377-L397 WeakPolarHBondContact CA-O 3.32Å; A377-V399 HydrophobicContact CB-CB 4.47Å; A377-V399 HydrophobicContact CB-CG2 4.19Å
378G87.5Confident87.5Confident0 Ų039.2 Ų39.20%022%0.224CC..EExtended strand (participates in β ladder)trans138.1-162.7178.800000113.6I109 N349 L397I109-G378 WeakPolarHBondContact O-CA 3.31Å; N349-G378 WeakPolarHBondContact OD1-CA 3.37Å; G378-L397 PolarHBondContact N-O 2.92Å; G378-L397 PolarHBondContact O-N 3.3Å
379Y88.8Confident86.8Confident16 Ų1638.4 Ų38.46%0.06322%0.222CC..EExtended strand (participates in β ladder)trans-97140.3179.2-64.5-77.5000112I109 L112 K348 N349 T394 A395 R396I109-Y379 HydrophobicContact CB-CE2 3.87Å; I109-Y379 HydrophobicContact CG2-CD2 4.29Å; I109-Y379 HydrophobicContact CG2-CE2 3.75Å; L112-Y379 VanDerWaalsContact CD2-CB 3.46Å; L112-Y379 HydrophobicContact CD2-CD1 3.92Å; L112-Y379 HydrophobicContact CD2-CD2 4.17Å; L112-Y379 HydrophobicContact CD2-CG 3.6Å; L112-Y379 HydrophobicContact CG-CD1 4.44Å; L112-Y379 HydrophobicContact CG-CD2 4.18Å; L112-Y379 HydrophobicContact CG-CG 4.08Å; K348-Y379 CarbonylContact C-O 3.58Å; K348-Y379 WeakPolarHBondContact CA-O 3.35Å; N349-Y379 PolarHBondContact N-O 3.36Å; N349-Y379 PolarHBondContact OD1-N 3.16Å; Y379-T394 HydrophobicContact CD1-CG2 4.16Å; Y379-A395 WeakPolarHBondContact CA-O 3.39Å; Y379-R396 HydrophobicContact CD1-CB 4.14Å; Y379-R396 HydrophobicContact CD1-CG 4.4Å; Y379-R396 HydrophobicContact CE1-CB 4.11Å; Y379-R396 HydrophobicContact CE1-CG 4.19Å
380Y91.3Very high86.3Confident0 Ų039.6 Ų39.60%023%0.23CC..EExtended strand (participates in β ladder)trans-121.4126.1178.2-74-92.6000108.9F332 L347 K348 I353 M359 L367 I369 D376 T394 A395 L397F332-Y380 HydrophobicContact CE2-CD1 4.49Å; F332-Y380 HydrophobicContact CE2-CD2 4.2Å; F332-Y380 HydrophobicContact CE2-CG 4.15Å; F332-Y380 HydrophobicContact CZ-CD2 4.28Å; L347-Y380 WeakPolarHBondContact O-CA 3.3Å; K348-Y380 HydrophobicContact CB-CD1 4.19Å; K348-Y380 HydrophobicContact CB-CE1 3.83Å; K348-Y380 HydrophobicContact CD-CE1 4.02Å; K348-Y380 VanDerWaalsContact CD-OH 3.32Å; K348-Y380 WeakPolarHBondContact CD-OH 3.19Å; K348-Y380 VanDerWaalsContact CE-OH 3.24Å; K348-Y380 WeakPolarHBondContact CE-OH 3.38Å; K348-Y380 HydrophobicContact CG-CD1 4.4Å; K348-Y380 HydrophobicContact CG-CE1 3.78Å; K348-Y380 HydrophobicContact CG-CE2 4.22Å; I353-Y380 HydrophobicContact CD1-CD1 3.76Å; I353-Y380 HydrophobicContact CD1-CE1 3.78Å; M359-Y380 HydrophobicContact CE-CE1 3.8Å; L367-Y380 HydrophobicContact CD2-CD1 3.42Å; L367-Y380 VanDerWaalsContact CD2-CD1 3.42Å; L367-Y380 HydrophobicContact CD2-CE1 3.81Å; L367-Y380 HydrophobicContact CD2-CG 4.41Å; I369-Y380 HydrophobicContact CD1-CD1 4.39Å; I369-Y380 HydrophobicContact CD1-CE1 3.51Å; I369-Y380 HydrophobicContact CD1-CE2 4.33Å; I369-Y380 VanDerWaalsContact CD1-CZ 3.47Å; I369-Y380 VanDerWaalsContact CD1-OH 3.31Å; I369-Y380 WeakPolarHBondContact CD1-OH 3.49Å; D376-Y380 WeakPolarHBondContact O-CE2 3.46Å; D376-Y380 PolarHBondContact O-OH 3.45Å; Y380-T394 CarbonylContact O-C 3.53Å; Y380-T394 WeakPolarHBondContact O-CA 3.27Å; Y380-A395 PolarHBondContact N-O 3.47Å; Y380-A395 PolarHBondContact O-N 3.19Å; Y380-L397 HydrophobicContact CD2-CB 3.88Å; Y380-L397 HydrophobicContact CD2-CD2 4.49Å; Y380-L397 HydrophobicContact CE2-CB 3.64Å; Y380-L397 HydrophobicContact CE2-CD2 3.69Å; Y380-L397 HydrophobicContact CE2-CG 4.31Å
381Q90.1Very high86Confident1 Ų137.2 Ų37.21%0.00522%0.217CC..EExtended strand (participates in β ladder)trans-119.5125.5-177.5-57-177.2-9300109.3C27 L112 T113 W346 L347 A393 T394C27-Q381 PolarHBondContact SG-NE2 3.29Å; L112-Q381 HydrophobicContact CD2-CG 4.03Å; T113-Q381 PolarHBondContact O-NE2 3.41Å; W346-Q381 CarbonylContact C-O 3.53Å; W346-Q381 VanDerWaalsContact CA-O 3.31Å; W346-Q381 WeakPolarHBondContact CA-O 3.35Å; L347-Q381 HydrophobicContact CB-CB 4.22Å; L347-Q381 PolarHBondContact N-O 3.13Å; L347-Q381 PolarHBondContact O-N 3.3Å; Q381-A393 CarbonylContact C-O 3.58Å; Q381-A393 WeakPolarHBondContact CA-O 3.42Å; Q381-T394 HydrophobicContact CG-CG2 4.33Å
382C91.6Very high86.1Confident0 Ų031.2 Ų31.20%019%0.19CC..EExtended strand (participates in β ladder)trans-93.3130.7167.8176.90000108.8C334 W346 C392 A393C334-C382 HydrophobicContact CB-CB 3.56Å; C334-C382 WeakPolarHBondContact CB-SG 3.34Å; C334-C382 WeakPolarHBondContact SG-CB 3.43Å; C334-C382 CovalentContact SG-SG 2.03Å; C334-C382 PolarHBondContact SG-SG 3.01Å; W346-C382 HydrophobicContact CD2-CB 4.21Å; W346-C382 HydrophobicContact CE3-CB 4.03Å; W346-C382 HydrophobicContact CH2-CB 3.81Å; W346-C382 HydrophobicContact CZ2-CB 4Å; W346-C382 HydrophobicContact CZ3-CB 3.83Å; C382-C392 CarbonylContact O-C 3.55Å; C382-C392 WeakPolarHBondContact O-CA 3.25Å; C382-C392 PolarHBondContact O-SG 3.45Å; C382-A393 PolarHBondContact N-O 3.42Å; C382-A393 PolarHBondContact O-N 2.99Å
383I88.8Confident86.1Confident26 Ų2631.6 Ų31.613%0.13319%0.194CC..EExtended strand (participates in β ladder)trans-120.6132.6176.7-56.7174.3000108.7L344 H345 L347 A391 C392L344-I383 WeakPolarHBondContact CA-O 3.18Å; H345-I383 PolarHBondContact N-O 3.27Å; H345-I383 WeakPolarHBondContact NE2-CB 3.44Å; H345-I383 WeakPolarHBondContact NE2-CG2 3.41Å; H345-I383 PolarHBondContact O-N 3.3Å; L347-I383 HydrophobicContact CD1-CD1 3.64Å; L347-I383 HydrophobicContact CD2-CD1 4.45Å; L347-I383 HydrophobicContact CG-CD1 3.87Å; I383-A391 WeakPolarHBondContact CA-O 3.43Å; I383-C392 HydrophobicContact CG1-CB 4.01Å
384A89.8Confident86.3Confident0 Ų032.4 Ų32.40%020%0.196CC..EExtended strand (participates in β ladder)trans-112.6124.4174.700000109.6P313 I315 P342 V343 L344 T390 A391P313-A384 HydrophobicContact CB-CB 4.03Å; P313-A384 WeakPolarHBondContact CG-O 3.35Å; I315-A384 HydrophobicContact CG1-CB 4.16Å; P342-A384 HydrophobicContact CB-CB 4.17Å; P342-A384 HydrophobicContact CG-CB 4.23Å; V343-A384 WeakPolarHBondContact O-CA 3.47Å; L344-A384 HydrophobicContact CD2-CB 3.52Å; A384-T390 CarbonylContact O-C 3.58Å; A384-T390 VanDerWaalsContact O-CA 3.29Å; A384-T390 WeakPolarHBondContact O-CA 3.38Å; A384-A391 PolarHBondContact N-O 3.37Å; A384-A391 PolarHBondContact O-N 3.47Å
385E87.6Confident86.7Confident96 Ų9627.6 Ų27.645%0.44917%0.171SC..EExtended strand (participates in β ladder)trans-131.7135.7-174.2-178.4174.3-177.200112.1P342 V343 H345 T390P342-E385 CarbonylContact C-O 3.19Å; P342-E385 WeakPolarHBondContact CA-O 3.38Å; P342-E385 VanDerWaalsContact CB-O 3.3Å; P342-E385 WeakPolarHBondContact CB-O 3.29Å; V343-E385 PolarHBondContact N-O 2.86Å; V343-E385 PolarHBondContact O-N 3.05Å; H345-E385 IonicContact CE1-OE2 3.84Å; H345-E385 PolarHBondContact CE1-OE2 3.35Å; E385-T390 HydrophobicContact CB-CG2 4.1Å; E385-T390 HydrophobicContact CG-CG2 3.88Å
386N87.3Confident86.9Confident20 Ų2025.2 Ų25.211%0.10716%0.156CC..EExtended strand (participates in β ladder)trans-140.5177.1162.77811.6000110.2A311 P313 P340 P342 L388 G389A311-N386 PolarHBondContact O-ND2 2.92Å; P313-N386 WeakPolarHBondContact CD-OD1 3.31Å; P340-N386 PolarHBondContact O-ND2 3.39Å; P342-N386 HydrophobicContact CB-CB 4.24Å; N386-L388 PolarHBondContact O-N 3.47Å; N386-L388 WeakPolarHBondContact OD1-CB 3.43Å; N386-L388 PolarHBondContact OD1-N 3.36Å; N386-G389 PolarHBondContact N-O 3.21Å; N386-G389 PolarHBondContact O-N 3.45Å; N386-G389 VanDerWaalsContact O-O 3.06Å; N386-G389 PolarHBondContact OD1-N 3.1Å
387G80.8Confident87Confident85 Ų8525.2 Ų25.288%0.87616%0.156SC*.THydrogen-bonded Turntrans-61.1-4.7-176.700000116.6
388L80.2Confident86.9Confident53 Ų5326 Ų2628%0.27716%0.157SC..THydrogen-bonded Turntrans-102.6-20.3174-61.3-179.8000113.4S32 V235 A310 P312 N386S32-L388 WeakPolarHBondContact CB-O 3.35Å; S32-L388 PolarHBondContact OG-O 2.96Å; V235-L388 HydrophobicContact CG1-CD1 4.35Å; V235-L388 HydrophobicContact CG2-CD1 4.03Å; V235-L388 HydrophobicContact CG2-CD2 3.83Å; A310-L388 HydrophobicContact CB-CD1 3.66Å; P312-L388 HydrophobicContact CB-CB 4.28Å; N386-L388 PolarHBondContact O-N 3.47Å; N386-L388 WeakPolarHBondContact OD1-CB 3.43Å; N386-L388 PolarHBondContact OD1-N 3.36Å
389G78.3Confident86.8Confident9 Ų926.7 Ų26.79%0.09316%0.161CC..EExtended strand (participates in β ladder)trans163.2-159.8175.100000116P313 N386P313-G389 WeakPolarHBondContact CD-O 3.47Å; P313-G389 VanDerWaalsContact CG-O 3.22Å; P313-G389 WeakPolarHBondContact CG-O 3.44Å; N386-G389 PolarHBondContact N-O 3.21Å; N386-G389 PolarHBondContact O-N 3.45Å; N386-G389 VanDerWaalsContact O-O 3.06Å; N386-G389 PolarHBondContact OD1-N 3.1Å
390T81.9Confident86.2Confident26 Ų2629.4 Ų29.416%0.1618%0.176CC..EExtended strand (participates in β ladder)trans-133.8147.2-173.754.80000112.3A384 E385A384-T390 CarbonylContact O-C 3.58Å; A384-T390 VanDerWaalsContact O-CA 3.29Å; A384-T390 WeakPolarHBondContact O-CA 3.38Å; E385-T390 HydrophobicContact CB-CG2 4.1Å; E385-T390 HydrophobicContact CG-CG2 3.88Å
391A83.8Confident84.9Confident2 Ų233.4 Ų33.42%0.01720%0.2CC..EExtended strand (participates in β ladder)trans-135.4144.716800000109.3A29 P313 I315 I383 A384A29-A391 HydrophobicContact CB-CB 4.45Å; P313-A391 HydrophobicContact CB-CB 4.32Å; P313-A391 HydrophobicContact CG-CB 4.32Å; I315-A391 HydrophobicContact CG1-CB 4.22Å; I383-A391 WeakPolarHBondContact CA-O 3.43Å; A384-A391 PolarHBondContact N-O 3.37Å; A384-A391 PolarHBondContact O-N 3.47Å
392C86.4Confident83.1Confident11 Ų1141.2 Ų41.27%0.07423%0.234CC..EExtended strand (participates in β ladder)trans-132.7158.7-178.71750000111.9C27 C382 I383C27-C392 HydrophobicContact CB-CB 4.3Å; C27-C392 CarbonylContact O-C 3.54Å; C27-C392 WeakPolarHBondContact O-CA 3.45Å; C27-C392 WeakPolarHBondContact O-CB 3.4Å; C27-C392 PolarHBondContact O-N 3.38Å; C382-C392 CarbonylContact O-C 3.55Å; C382-C392 WeakPolarHBondContact O-CA 3.25Å; C382-C392 PolarHBondContact O-SG 3.45Å; I383-C392 HydrophobicContact CG1-CB 4.01Å
393A87.6Confident81.2Confident10 Ų1044.9 Ų44.98%0.08325%0.251CS..EExtended strand (participates in β ladder)trans-149.1145.317400000110.8I315 Q381 C382I315-A393 HydrophobicContact CD1-CB 3.71Å; I315-A393 HydrophobicContact CG2-CB 4.06Å; Q381-A393 CarbonylContact C-O 3.58Å; Q381-A393 WeakPolarHBondContact CA-O 3.42Å; C382-A393 PolarHBondContact N-O 3.42Å; C382-A393 PolarHBondContact O-N 2.99Å
394T88.3Confident79.4Confident44 Ų4444.9 Ų44.927%0.2726%0.258SS..EExtended strand (participates in β ladder)trans-122.6138.2-165.1-60.80000111.7C27 L112 Y379 Y380 Q381C27-T394 PolarHBondContact SG-OG1 2.77Å; C27-T394 VanDerWaalsContact SG-OG1 3.36Å; L112-T394 HydrophobicContact CD2-CG2 3.45Å; L112-T394 VanDerWaalsContact CD2-CG2 3.45Å; Y379-T394 HydrophobicContact CD1-CG2 4.16Å; Y380-T394 CarbonylContact O-C 3.53Å; Y380-T394 WeakPolarHBondContact O-CA 3.27Å; Q381-T394 HydrophobicContact CG-CG2 4.33Å
395A89.9Confident78Confident1 Ų149.3 Ų49.31%0.00828%0.281CS..EExtended strand (participates in β ladder)trans-129.8150.7171.700000111.3P319 E320 F332 Y379 Y380P319-A395 HydrophobicContact CB-CB 3.89Å; P319-A395 HydrophobicContact CG-CB 3.97Å; E320-A395 WeakPolarHBondContact O-CB 3.34Å; F332-A395 HydrophobicContact CD1-CB 3.79Å; F332-A395 HydrophobicContact CE1-CB 3.77Å; Y379-A395 WeakPolarHBondContact CA-O 3.39Å; Y380-A395 PolarHBondContact N-O 3.47Å; Y380-A395 PolarHBondContact O-N 3.19Å
396R89.2Confident77.4Confident91 Ų9144.9 Ų44.934%0.34326%0.26SS..EExtended strand (participates in β ladder)trans-103.7135.6172.6-173.717269.5-175.70.7110.7D52 I109 S321 V322 Y379D52-R396 IonicContact OD2-NH1 3.93Å; D52-R396 PolarHBondContact OD2-NH1 3.23Å; I109-R396 HydrophobicContact CG2-CG 4.44Å; S321-R396 CarbonylContact C-O 3.6Å; S321-R396 VanDerWaalsContact CA-O 3.25Å; S321-R396 WeakPolarHBondContact CA-O 3.42Å; S321-R396 WeakPolarHBondContact CB-O 3.2Å; S321-R396 PolarHBondContact OG-N 3.46Å; V322-R396 PolarHBondContact N-O 3.13Å; Y379-R396 HydrophobicContact CD1-CB 4.14Å; Y379-R396 HydrophobicContact CD1-CG 4.4Å; Y379-R396 HydrophobicContact CE1-CB 4.11Å; Y379-R396 HydrophobicContact CE1-CG 4.19Å
397L90.3Very high77.1Confident2 Ų245.1 Ų45.11%0.0126%0.264CS..EExtended strand (participates in β ladder)trans-108.3119.1170.1-178.350.1000110.1V322 A330 F332 I369 L372 D376 A377 G378 Y380 V399V322-L397 HydrophobicContact CG2-CD1 3.74Å; V322-L397 WeakPolarHBondContact O-CA 3.42Å; A330-L397 HydrophobicContact CB-CD1 4.18Å; A330-L397 HydrophobicContact CB-CD2 4.3Å; F332-L397 HydrophobicContact CE2-CD2 4.3Å; F332-L397 HydrophobicContact CZ-CB 3.99Å; F332-L397 HydrophobicContact CZ-CD1 4.33Å; F332-L397 HydrophobicContact CZ-CD2 4.33Å; F332-L397 HydrophobicContact CZ-CG 4.45Å; I369-L397 HydrophobicContact CD1-CD2 3.93Å; L372-L397 HydrophobicContact CD1-CD1 4.48Å; L372-L397 HydrophobicContact CD2-CD1 4.42Å; L372-L397 HydrophobicContact CD2-CD2 3.75Å; D376-L397 HydrophobicContact CB-CD2 4.18Å; D376-L397 WeakPolarHBondContact O-CD2 3.41Å; A377-L397 WeakPolarHBondContact CA-O 3.32Å; G378-L397 PolarHBondContact N-O 2.92Å; G378-L397 PolarHBondContact O-N 3.3Å; Y380-L397 HydrophobicContact CD2-CB 3.88Å; Y380-L397 HydrophobicContact CD2-CD2 4.49Å; Y380-L397 HydrophobicContact CE2-CB 3.64Å; Y380-L397 HydrophobicContact CE2-CD2 3.69Å; Y380-L397 HydrophobicContact CE2-CG 4.31Å; L397-V399 HydrophobicContact CG-CG2 4.22Å
398T86.3Confident77.5Confident54 Ų5444.3 Ų44.333%0.33124%0.239SC..EExtended strand (participates in β ladder)trans-106.8125170.2-53.30000109.3V322 S323 L324V322-T398 PolarHBondContact O-N 3.45Å; S323-T398 CarbonylContact C-O 3.52Å; S323-T398 WeakPolarHBondContact CA-O 3.38Å; L324-T398 PolarHBondContact N-O 3.23Å
399V84Confident78.1Confident14 Ų1441.8 Ų41.89%0.08523%0.226CC..EExtended strand (participates in β ladder)trans-101.6111.2178.2-177.30000110.2L324 R326 L372 L374 D376 A377 L397L324-V399 CarbonylContact O-C 3.55Å; L324-V399 WeakPolarHBondContact O-CA 3.36Å; R326-V399 HydrophobicContact CB-CG1 4.23Å; L372-V399 HydrophobicContact CB-CG1 4.39Å; L372-V399 HydrophobicContact CD2-CG2 4.37Å; L374-V399 HydrophobicContact CD2-CG1 4.38Å; D376-V399 HydrophobicContact CB-CG2 4.38Å; A377-V399 HydrophobicContact CB-CB 4.47Å; A377-V399 HydrophobicContact CB-CG2 4.19Å; L397-V399 HydrophobicContact CG-CG2 4.22Å
400I77.4Confident78.8Confident73 Ų7345.5 Ų45.537%0.37424%0.237SC..EExtended strand (participates in β ladder)trans-86.1126.2-178-55.2171.6000109.5L324 S325 R326 K402L324-I400 PolarHBondContact O-N 3.43Å; S325-I400 CarbonylContact C-O 3.49Å; S325-I400 WeakPolarHBondContact CA-O 3.4Å; R326-I400 PolarHBondContact N-O 3.39Å; I400-K402 PolarHBondContact O-N 3.07Å
401V63Low79.3Confident83 Ų8350.5 Ų50.550%0.50326%0.258SS..  trans-81.9116.5168-173.20000108.3L374L374-V401 HydrophobicContact CD1-CG2 4.27Å; L374-V401 HydrophobicContact CD2-CG2 3.68Å; L374-V401 HydrophobicContact CG-CG2 4.32Å
402K53Low79.8Confident165 Ų16551.5 Ų51.572%0.71726%0.263SS*.  trans-97.6111171-100.9-172.1172-176.70110.3I400I400-K402 PolarHBondContact O-N 3.07Å
403E50.9Low80.2Confident78 Ų7854.4 Ų54.436%0.36428%0.281SS..  trans19.5145.2157.9-40.7-158.317700121.8Q435 M486E403-Q435 VanDerWaalsContact CD-CD 3.5Å; E403-Q435 PolarHBondContact OE2-OE1 3.29Å; E403-M486 HydrophobicContact CB-CG 3.7Å; E403-M486 HydrophobicContact CB-SD 3.79Å; E403-M486 WeakPolarHBondContact OE2-CG 3.31Å
404G52.1Low80.6Confident26 Ų2654.5 Ų54.527%0.26828%0.281SS..  trans-139.3176.2157.700000109.9N432G404-N432 PolarHBondContact O-ND2 3.19Å
405L60.6Low80.8Confident93 Ų9356 Ų5649%0.48729%0.29SS..PPolyproline II helixtrans-59.8144.9174.8-67.3173000111N432 M486L405-N432 PolarHBondContact O-ND2 3.43Å; L405-M486 HydrophobicContact CD2-CB 4.08Å; L405-M486 WeakPolarHBondContact CD2-O 3.21Å
406P74.1Confident80.9Confident2 Ų258.4 Ų58.41%0.01331%0.306CS..PPolyproline II helixtrans-61.9148.3171.9-18.631.9000111.2P429 I436 A482 S489P406-P429 HydrophobicContact CB-CB 4.37Å; P406-P429 HydrophobicContact CB-CG 4.23Å; P406-I436 HydrophobicContact CG-CG1 4.33Å; P406-A482 HydrophobicContact CB-CB 4.3Å; P406-S489 WeakPolarHBondContact O-CA 3.29Å; P406-S489 WeakPolarHBondContact O-CB 3.4Å
407S81.2Confident80.8Confident26 Ų2660.1 Ų60.118%0.18232%0.317CS..PPolyproline II helixtrans-67.1169.7166.166.70000110.5P429 E430 Y431 S489S407-P429 VanDerWaalsContact O-CB 3.27Å; S407-P429 WeakPolarHBondContact O-CB 3.49Å; S407-P429 VanDerWaalsContact O-CG 3.22Å; S407-P429 WeakPolarHBondContact O-CG 3.33Å; S407-P429 WeakPolarHBondContact OG-CB 3.38Å; S407-E430 PolarHBondContact OG-N 3.28Å; S407-Y431 PolarHBondContact N-O 3.18Å; S407-Y431 PolarHBondContact OG-N 3.06Å; S407-S489 VanDerWaalsContact O-CB 3.27Å; S407-S489 WeakPolarHBondContact O-CB 3.14Å
408L89.9Confident80.7Confident67 Ų6761.7 Ų61.735%0.35133%0.329SS..PPolyproline II helixtrans-58.8148175.260.9149.3000112.4P490 P491L408-P490 WeakPolarHBondContact CA-O 3.47Å; L408-P490 HydrophobicContact CB-CB 4.37Å; L408-P490 WeakPolarHBondContact CB-O 3.23Å; L408-P491 WeakPolarHBondContact CB-O 3.42Å
409P92.1Very high80.7Confident1 Ų160 Ų601%0.00632%0.319CS..PPolyproline II helixtrans-58.7143.1164.6-21.133.1000110.9Y439 V480 A482 S492P409-Y439 HydrophobicContact CG-CD1 4.26Å; P409-Y439 HydrophobicContact CG-CE1 4.21Å; P409-V480 HydrophobicContact CB-CB 4.5Å; P409-V480 HydrophobicContact CB-CG1 4.42Å; P409-V480 HydrophobicContact CG-CB 4.36Å; P409-V480 HydrophobicContact CG-CG1 4.09Å; P409-A482 HydrophobicContact CG-CB 4.16Å; P409-S492 WeakPolarHBondContact O-CB 3.4Å
410R93.3Very high80.8Confident87 Ų8761.5 Ų61.533%0.32833%0.328SS..EExtended strand (participates in β ladder)trans-107.9165.8-174.4-55.4-170.2-52.7179.214.9111.3L412 E427 E430R410-L412 VanDerWaalsContact C-N 3.26Å; R410-L412 PolarHBondContact O-N 2.92Å; R410-E427 HydrophobicContact CB-CB 4.1Å; R410-E427 IonicContact CZ-OE2 3.41Å; R410-E427 PolarHBondContact N-O 3.16Å; R410-E427 VanDerWaalsContact N-O 3.14Å; R410-E427 IonicContact NE-OE2 3.67Å; R410-E427 IonicContact NH2-OE2 3.09Å; R410-E427 PolarHBondContact NH2-OE2 3.1Å; R410-E427 PolarHBondContact O-N 2.9Å; R410-E430 IonicContact CZ-OE2 3.6Å; R410-E430 IonicContact NH1-OE2 3.87Å; R410-E430 PolarHBondContact NH1-OE2 3.42Å
411H92.6Very high81.4Confident131 Ų13158.9 Ų58.961%0.60632%0.316SS*.EExtended strand (participates in β ladder)trans46.941.8171.2-63.1-78000115.2T413 E427H411-T413 PolarHBondContact O-N 3.32Å; H411-E427 HydrophobicContact CB-CB 4.39Å; H411-E427 HydrophobicContact CB-CG 4.12Å; H411-E427 VanDerWaalsContact CD2-CD 3.46Å; H411-E427 IonicContact CD2-OE1 3.94Å; H411-E427 PolarHBondContact CD2-OE1 3.03Å; H411-E427 IonicContact CD2-OE2 3.41Å; H411-E427 PolarHBondContact CD2-OE2 3.03Å; H411-E427 IonicContact CG-OE1 3.25Å
412L94.7Very high82.7Confident22 Ų2255 Ų5512%0.11529%0.292CS..EExtended strand (participates in β ladder)trans-62.8121.8173.217863.1000110R410 L424 W426 V480 S492 I495R410-L412 VanDerWaalsContact C-N 3.26Å; R410-L412 PolarHBondContact O-N 2.92Å; L412-L424 HydrophobicContact CD1-CB 4.45Å; L412-W426 HydrophobicContact CB-CB 4.48Å; L412-W426 HydrophobicContact CD1-CB 4.11Å; L412-W426 HydrophobicContact CD1-CE3 4.2Å; L412-V480 HydrophobicContact CD1-CG2 3.74Å; L412-V480 HydrophobicContact CD2-CG2 4.07Å; L412-S492 WeakPolarHBondContact CD2-OG 3.27Å; L412-I495 HydrophobicContact CD2-CG2 3.8Å; L412-I495 HydrophobicContact CG-CG2 3.93Å
413T94.8Very high84.6Confident73 Ų7349.9 Ų49.945%0.44827%0.273SS..EExtended strand (participates in β ladder)trans-119.9150.8173.360.80000109.6H411 L424 S425H411-T413 PolarHBondContact O-N 3.32Å; T413-L424 WeakPolarHBondContact O-CA 3.34Å; T413-S425 PolarHBondContact N-O 2.84Å; T413-S425 PolarHBondContact O-N 2.79Å; T413-S425 PolarHBondContact OG1-O 3.08Å
414A94.3Very high86.6Confident11 Ų1146.2 Ų46.29%0.09126%0.255CS..EExtended strand (participates in β ladder)trans-140.8132.4-178.900000109.1L423 L424 I495 I497A414-L423 WeakPolarHBondContact CA-O 3.38Å; A414-L424 HydrophobicContact CB-CD2 3.4Å; A414-L424 VanDerWaalsContact CB-CD2 3.4Å; A414-I495 HydrophobicContact CB-CD1 4.09Å; A414-I495 HydrophobicContact CB-CG1 4.41Å; A414-I495 HydrophobicContact CB-CG2 3.75Å; A414-I497 HydrophobicContact CB-CD1 4.04Å; A414-I497 HydrophobicContact CB-CG1 4.31Å; A414-I497 HydrophobicContact CB-CG2 3.82Å
415T92.4Very high88.6Confident76 Ų7646.4 Ų46.447%0.46625%0.252SS..EExtended strand (participates in β ladder)trans-135.8134.3176.954.70000110.4H417 A422 L423T415-H417 PolarHBondContact O-N 2.67Å; T415-A422 CarbonylContact O-C 3.47Å; T415-A422 WeakPolarHBondContact O-CA 3.35Å; T415-L423 PolarHBondContact N-O 2.81Å; T415-L423 PolarHBondContact O-N 2.85Å; T415-L423 PolarHBondContact OG1-O 2.84Å
416P92.3Very high90.3Very high51 Ų5142.3 Ų42.333%0.33123%0.231SC..EExtended strand (participates in β ladder)trans-71.4118.3173.929.6-33000109.3M499 L500P416-M499 HydrophobicContact CB-CE 4.07Å; P416-M499 HydrophobicContact CB-SD 4.43Å; P416-L500 HydrophobicContact CB-CG 4.19Å; P416-L500 HydrophobicContact CG-CD2 4.49Å; P416-L500 HydrophobicContact CG-CG 4.46Å
417H87.1Confident91.2Very high127 Ų12746.1 Ų46.159%0.58825%0.248SC*.  trans-91.8-31-179.4-176.274.8000111.7T415 T421 L423 L466T415-H417 PolarHBondContact O-N 2.67Å; H417-T421 PolarHBondContact N-O 3.13Å; H417-L423 HydrophobicContact CB-CB 4.49Å; H417-L466 HydrophobicContact CB-CD1 3.93Å
418S88.7Confident91.5Very high35 Ų3549.7 Ų49.725%0.24526%0.26CS..SBendtrans-147.4-177.3167.275.80000110.2T420 T421 M499S418-T420 PolarHBondContact O-N 3.43Å; S418-T420 PolarHBondContact OG-N 3.09Å; S418-T421 WeakPolarHBondContact CB-OG1 3.32Å; S418-T421 PolarHBondContact N-O 2.91Å; S418-T421 PolarHBondContact N-OG1 2.89Å; S418-T421 PolarHBondContact OG-N 3.17Å; S418-T421 VanDerWaalsContact OG-N 3.09Å; S418-T421 PolarHBondContact OG-OG1 2.92Å; S418-M499 WeakPolarHBondContact O-CE 3.48Å
419S86.1Confident91.4Very high19 Ų1946.8 Ų46.813%0.13325%0.246CC..SBendtrans-58.4-23.3170.3560000114P472 D502S419-P472 WeakPolarHBondContact O-CA 3.08Å; S419-D502 WeakPolarHBondContact CB-OD2 3.15Å; S419-D502 PolarHBondContact OG-OD2 2.93Å
420T85.9Confident90.9Very high45 Ų4551.5 Ų51.528%0.27627%0.268SS..SBendtrans-1254.3-174.758.70000114.2S418 K468 E469 L470 P472S418-T420 PolarHBondContact O-N 3.43Å; S418-T420 PolarHBondContact OG-N 3.09Å; T420-K468 CarbonylContact O-C 3.48Å; T420-E469 PolarHBondContact O-N 3.22Å; T420-E469 VanDerWaalsContact O-N 3.16Å; T420-L470 WeakPolarHBondContact CA-O 3.44Å; T420-L470 WeakPolarHBondContact CB-O 3.45Å; T420-L470 WeakPolarHBondContact CG2-O 3.18Å; T420-L470 PolarHBondContact O-N 3.25Å; T420-P472 HydrophobicContact CG2-CG 3.91Å
421T89.5Confident89.7Confident19 Ų1954 Ų5412%0.11728%0.278CS..  trans-139.9137.4-178.169.20000112.4H417 S418 V467 K468 M499H417-T421 PolarHBondContact N-O 3.13Å; S418-T421 WeakPolarHBondContact CB-OG1 3.32Å; S418-T421 PolarHBondContact N-O 2.91Å; S418-T421 PolarHBondContact N-OG1 2.89Å; S418-T421 PolarHBondContact OG-N 3.17Å; S418-T421 VanDerWaalsContact OG-N 3.09Å; S418-T421 PolarHBondContact OG-OG1 2.92Å; T421-V467 CarbonylContact C-O 3.55Å; T421-V467 WeakPolarHBondContact CA-O 3.13Å; T421-V467 VanDerWaalsContact CB-O 3.29Å; T421-V467 WeakPolarHBondContact CB-O 3.28Å; T421-K468 HydrophobicContact CG2-CB 4.28Å; T421-K468 HydrophobicContact CG2-CG 4Å; T421-M499 VanDerWaalsContact O-CE 3.28Å; T421-M499 WeakPolarHBondContact O-CE 3.26Å
422A90.4Very high88.5Confident0 Ų050.4 Ų50.40%026%0.264CS..EExtended strand (participates in β ladder)trans-125.3132.6177.700000110.1T415 L466 V467 L470 F478 I497 M499T415-A422 CarbonylContact O-C 3.47Å; T415-A422 WeakPolarHBondContact O-CA 3.35Å; A422-L466 CarbonylContact O-C 3.28Å; A422-V467 PolarHBondContact N-O 2.88Å; A422-V467 PolarHBondContact O-N 2.89Å; A422-L470 HydrophobicContact CB-CD1 3.61Å; A422-F478 HydrophobicContact CB-CZ 4.32Å; A422-I497 HydrophobicContact CB-CD1 3.82Å; A422-M499 HydrophobicContact CB-CE 4.06Å; A422-M499 HydrophobicContact CB-SD 4.09Å
423L92.9Very high87.5Confident59 Ų5952.1 Ų52.131%0.30928%0.275SS..EExtended strand (participates in β ladder)trans-91.3121.4174.2-178.363.6000109.1A414 T415 H417 L466A414-L423 WeakPolarHBondContact CA-O 3.38Å; T415-L423 PolarHBondContact N-O 2.81Å; T415-L423 PolarHBondContact O-N 2.85Å; T415-L423 PolarHBondContact OG1-O 2.84Å; H417-L423 HydrophobicContact CB-CB 4.49Å; L423-L466 HydrophobicContact CB-CD1 4.23Å; L423-L466 HydrophobicContact CD1-CB 4.41Å
424L94.5Very high86.2Confident0 Ų054.6 Ų54.60%029%0.286CS..EExtended strand (participates in β ladder)trans-102.1141.4171.2-56.9-179.8000109.6L412 T413 A414 W426 V441 E464 Y465 V467 F478L412-L424 HydrophobicContact CD1-CB 4.45Å; T413-L424 WeakPolarHBondContact O-CA 3.34Å; A414-L424 HydrophobicContact CB-CD2 3.4Å; A414-L424 VanDerWaalsContact CB-CD2 3.4Å; L424-W426 HydrophobicContact CB-CE3 4.26Å; L424-W426 HydrophobicContact CB-CZ3 4.02Å; L424-V441 HydrophobicContact CD1-CG1 3.46Å; L424-V441 VanDerWaalsContact CD1-CG1 3.46Å; L424-V441 HydrophobicContact CD1-CG2 4.22Å; L424-E464 CarbonylContact O-C 3.59Å; L424-E464 VanDerWaalsContact O-CA 3.23Å; L424-E464 WeakPolarHBondContact O-CA 3.44Å; L424-Y465 PolarHBondContact N-O 3.26Å; L424-Y465 PolarHBondContact O-N 3.05Å; L424-V467 HydrophobicContact CD1-CG2 3.64Å; L424-V467 HydrophobicContact CG-CG2 3.85Å; L424-F478 HydrophobicContact CD1-CB 4.44Å; L424-F478 HydrophobicContact CD1-CD1 3.78Å; L424-F478 HydrophobicContact CD1-CE1 4.39Å; L424-F478 HydrophobicContact CD1-CG 4.28Å; L424-F478 HydrophobicContact CD2-CB 4.23Å; L424-F478 HydrophobicContact CD2-CD1 4.07Å; L424-F478 HydrophobicContact CD2-CD2 4.23Å; L424-F478 HydrophobicContact CD2-CG 3.92Å; L424-F478 HydrophobicContact CG-CD1 4.45Å
425S94.1Very high84.8Confident30 Ų3056 Ų5621%0.2129%0.29CS..EExtended strand (participates in β ladder)trans-140.6135.8172.3-178.80000109.2T413 E464T413-S425 PolarHBondContact N-O 2.84Å; T413-S425 PolarHBondContact O-N 2.79Å; T413-S425 PolarHBondContact OG1-O 3.08Å; S425-E464 VanDerWaalsContact CB-OE1 3.26Å; S425-E464 WeakPolarHBondContact CB-OE1 3.48Å; S425-E464 WeakPolarHBondContact OG-CG 3.47Å; S425-E464 PolarHBondContact OG-OE1 2.84Å
426W94.9Very high84Confident7 Ų752.9 Ų52.93%0.02727%0.27CS..EExtended strand (participates in β ladder)trans-140.6165.8-178.460.893000111.8L412 L424 Y439 V441 V458 T463 V480L412-W426 HydrophobicContact CB-CB 4.48Å; L412-W426 HydrophobicContact CD1-CB 4.11Å; L412-W426 HydrophobicContact CD1-CE3 4.2Å; L424-W426 HydrophobicContact CB-CE3 4.26Å; L424-W426 HydrophobicContact CB-CZ3 4.02Å; W426-Y439 HydrophobicContact CZ2-CD2 4.19Å; W426-Y439 HydrophobicContact CZ2-CG 4.08Å; W426-Y439 AromaticContact NE1-CD1 3.63Å; W426-Y439 AromaticContact NE1-CD2 3.95Å; W426-Y439 AromaticContact NE1-CE1 3.62Å; W426-Y439 AromaticContact NE1-CE2 3.96Å; W426-Y439 AromaticContact NE1-CG 3.81Å; W426-Y439 AromaticContact NE1-CZ 3.82Å; W426-V441 HydrophobicContact CH2-CG2 4.05Å; W426-V441 HydrophobicContact CZ3-CG2 4.21Å; W426-V458 HydrophobicContact CH2-CB 4.48Å; W426-V458 HydrophobicContact CH2-CG1 4.04Å; W426-V458 HydrophobicContact CZ2-CG1 4.2Å; W426-T463 PolarHBondContact N-O 2.9Å; W426-T463 WeakPolarHBondContact O-CB 3.24Å; W426-T463 PolarHBondContact O-OG1 3.09Å; W426-T463 VanDerWaalsContact O-OG1 3.12Å; W426-V480 HydrophobicContact CD2-CG1 4.18Å; W426-V480 HydrophobicContact CD2-CG2 4.23Å; W426-V480 HydrophobicContact CE3-CG2 4.06Å; W426-V480 HydrophobicContact CZ2-CG1 4.25Å; W426-V480 HydrophobicContact CZ3-CG2 4.39Å
427E92.9Very high82.9Confident82 Ų8253.1 Ų53.138%0.38327%0.268SS..EExtended strand (participates in β ladder)trans-94.7152.5166.7-78.3-176.4-158.700111.3R410 H411R410-E427 HydrophobicContact CB-CB 4.1Å; R410-E427 IonicContact CZ-OE2 3.41Å; R410-E427 PolarHBondContact N-O 3.16Å; R410-E427 VanDerWaalsContact N-O 3.14Å; R410-E427 IonicContact NE-OE2 3.67Å; R410-E427 IonicContact NH2-OE2 3.09Å; R410-E427 PolarHBondContact NH2-OE2 3.1Å; R410-E427 PolarHBondContact O-N 2.9Å; H411-E427 HydrophobicContact CB-CB 4.39Å; H411-E427 HydrophobicContact CB-CG 4.12Å; H411-E427 VanDerWaalsContact CD2-CD 3.46Å; H411-E427 IonicContact CD2-OE1 3.94Å; H411-E427 PolarHBondContact CD2-OE1 3.03Å; H411-E427 IonicContact CD2-OE2 3.41Å; H411-E427 PolarHBondContact CD2-OE2 3.03Å; H411-E427 IonicContact CG-OE1 3.25Å
428K88.6Confident82.3Confident101 Ų10147.8 Ų47.844%0.43925%0.247SC..  trans-58.5156.8169.1-56.8-161.4178.3-170.50110.5T433 Y439 T463K428-T433 HydrophobicContact CB-CG2 4.3Å; K428-Y439 WeakPolarHBondContact CG-OH 3.44Å; K428-T463 HydrophobicContact CD-CG2 4.49Å; K428-T463 HydrophobicContact CG-CG2 3.71Å
429P87.3Confident81.9Confident7 Ų746.2 Ų46.25%0.04524%0.235CC..  trans-46161.1165.7-33.840.1000114.2P406 S407 T433 I436 A482P406-P429 HydrophobicContact CB-CB 4.37Å; P406-P429 HydrophobicContact CB-CG 4.23Å; S407-P429 VanDerWaalsContact O-CB 3.27Å; S407-P429 WeakPolarHBondContact O-CB 3.49Å; S407-P429 VanDerWaalsContact O-CG 3.22Å; S407-P429 WeakPolarHBondContact O-CG 3.33Å; S407-P429 WeakPolarHBondContact OG-CB 3.38Å; P429-T433 HydrophobicContact CB-CG2 3.96Å; P429-T433 WeakPolarHBondContact O-CG2 3.33Å; P429-I436 HydrophobicContact CB-CD1 4.36Å; P429-I436 VanDerWaalsContact CD-CD1 3.47Å; P429-I436 HydrophobicContact CG-CD1 3.63Å; P429-A482 HydrophobicContact CG-CB 3.79Å
430E80.8Confident81.7Confident100 Ų10045.8 Ų45.847%0.46723%0.232SC..SBendtrans-83.6-31.6175.5-166.6169.6128.700112.1S407 R410S407-E430 PolarHBondContact OG-N 3.28Å; R410-E430 IonicContact CZ-OE2 3.6Å; R410-E430 IonicContact NH1-OE2 3.87Å; R410-E430 PolarHBondContact NH1-OE2 3.42Å
431Y68.3Low81.6Confident138 Ų13843.6 Ų43.654%0.54122%0.219SC..SBendtrans-128.4146.8-176.9-54.5-81.8000112.1S407S407-Y431 PolarHBondContact N-O 3.18Å; S407-Y431 PolarHBondContact OG-N 3.06Å
432N68.8Low81.5Confident57 Ų5744.1 Ų44.131%0.30522%0.22SC..SBendtrans5648.8179.1-45-41.7000113.2G404 L405G404-N432 PolarHBondContact O-ND2 3.19Å; L405-N432 PolarHBondContact O-ND2 3.43Å
433T72.8Confident81.3Confident57 Ų5746 Ų4635%0.3523%0.227SC..  trans-86-26.1-174.348.30000115K428 P429 Q435 I436K428-T433 HydrophobicContact CB-CG2 4.3Å; P429-T433 HydrophobicContact CB-CG2 3.96Å; P429-T433 WeakPolarHBondContact O-CG2 3.33Å; T433-Q435 PolarHBondContact O-N 3.49Å; T433-I436 HydrophobicContact CG2-CD1 4.45Å; T433-I436 WeakPolarHBondContact O-CG1 3.05Å; T433-I436 PolarHBondContact O-N 2.72Å
434D67.7Low81Confident126 Ų12646.5 Ų46.567%0.67423%0.228SC*.THydrogen-bonded Turntrans-67.8-23.1-177.358.6-52.3000112.9
435Q65.5Low80.5Confident40 Ų4048.1 Ų48.119%0.18724%0.235CC..THydrogen-bonded Turntrans-104.511.1-177.9-66.4142.826.800113.3E403 T433 I437 S484 P485E403-Q435 VanDerWaalsContact CD-CD 3.5Å; E403-Q435 PolarHBondContact OE2-OE1 3.29Å; T433-Q435 PolarHBondContact O-N 3.49Å; Q435-I437 PolarHBondContact O-N 3.38Å; Q435-S484 WeakPolarHBondContact O-CA 3.39Å; Q435-S484 VanDerWaalsContact O-CB 3.31Å; Q435-S484 WeakPolarHBondContact O-CB 3.44Å; Q435-P485 VanDerWaalsContact O-CD 3.27Å; Q435-P485 WeakPolarHBondContact O-CD 3.23Å
436I74.6Confident79.4Confident10 Ų1051.2 Ų51.25%0.05125%0.253CS..  trans-69.8119.4178.4-63.3172.6000109.4P406 P429 T433 A438 Y439 N460 A482 Y483P406-I436 HydrophobicContact CG-CG1 4.33Å; P429-I436 HydrophobicContact CB-CD1 4.36Å; P429-I436 VanDerWaalsContact CD-CD1 3.47Å; P429-I436 HydrophobicContact CG-CD1 3.63Å; T433-I436 HydrophobicContact CG2-CD1 4.45Å; T433-I436 WeakPolarHBondContact O-CG1 3.05Å; T433-I436 PolarHBondContact O-N 2.72Å; I436-A438 WeakPolarHBondContact CG2-O 3.5Å; I436-Y439 HydrophobicContact CG2-CE1 4.41Å; I436-Y439 HydrophobicContact CG2-CE2 4.05Å; I436-N460 HydrophobicContact CG2-CB 4.15Å; I436-N460 VanDerWaalsContact O-CB 3.26Å; I436-N460 WeakPolarHBondContact O-CB 3.22Å; I436-N460 PolarHBondContact O-ND2 2.73Å; I436-A482 HydrophobicContact CD1-CB 4.26Å; I436-Y483 CarbonylContact C-O 3.54Å; I436-Y483 VanDerWaalsContact CA-O 3.32Å; I436-Y483 WeakPolarHBondContact CA-O 3.15Å
437I69.9Low77.9Confident56 Ų5653 Ų5329%0.28727%0.269SS..  trans-99.7-21.3-179.958170.9000113.2Q435 Y483 P485Q435-I437 PolarHBondContact O-N 3.38Å; I437-Y483 WeakPolarHBondContact CG1-O 3.46Å; I437-Y483 PolarHBondContact N-O 2.89Å; I437-P485 HydrophobicContact CG2-CG 4.28Å
438A74.4Confident76.6Confident16 Ų1652.5 Ų52.513%0.13229%0.286CS..EExtended strand (participates in β ladder)trans-163.4165173.600000111.6I436 Y483I436-A438 WeakPolarHBondContact CG2-O 3.5Å; A438-Y483 PolarHBondContact O-N 2.96Å
439Y80.8Confident75Confident1 Ų154 Ų540%0.00431%0.309CS..EExtended strand (participates in β ladder)trans-109.1165157.5-65.1-84.4000109.9P409 W426 K428 I436 A457 V458 T463 V480 V481 A482P409-Y439 HydrophobicContact CG-CD1 4.26Å; P409-Y439 HydrophobicContact CG-CE1 4.21Å; W426-Y439 HydrophobicContact CZ2-CD2 4.19Å; W426-Y439 HydrophobicContact CZ2-CG 4.08Å; W426-Y439 AromaticContact NE1-CD1 3.63Å; W426-Y439 AromaticContact NE1-CD2 3.95Å; W426-Y439 AromaticContact NE1-CE1 3.62Å; W426-Y439 AromaticContact NE1-CE2 3.96Å; W426-Y439 AromaticContact NE1-CG 3.81Å; W426-Y439 AromaticContact NE1-CZ 3.82Å; K428-Y439 WeakPolarHBondContact CG-OH 3.44Å; I436-Y439 HydrophobicContact CG2-CE1 4.41Å; I436-Y439 HydrophobicContact CG2-CE2 4.05Å; Y439-A457 WeakPolarHBondContact O-CA 3.41Å; Y439-V458 PolarHBondContact N-O 2.7Å; Y439-V458 PolarHBondContact O-N 3.02Å; Y439-V458 VanDerWaalsContact O-O 3.12Å; Y439-T463 HydrophobicContact CE2-CG2 4.34Å; Y439-V480 HydrophobicContact CD1-CG1 3.99Å; Y439-V480 HydrophobicContact CG-CG1 4.42Å; Y439-V481 CarbonylContact C-O 3.55Å; Y439-V481 WeakPolarHBondContact CA-O 3.42Å; Y439-A482 HydrophobicContact CD1-CB 3.86Å; Y439-A482 HydrophobicContact CE1-CB 3.69Å
440S80.8Confident73.6Confident10 Ų1057.9 Ų57.97%0.0733%0.33CS..EExtended strand (participates in β ladder)trans-131136.4158.265.70000110.9H442 F456 V480 V481 Y483S440-H442 PolarHBondContact OG-NE2 3.42Å; S440-F456 CarbonylContact C-O 3.58Å; S440-F456 VanDerWaalsContact CA-O 3.27Å; S440-F456 WeakPolarHBondContact CA-O 3.45Å; S440-F456 WeakPolarHBondContact CB-O 3.47Å; S440-V480 WeakPolarHBondContact O-CA 3.46Å; S440-V481 PolarHBondContact N-O 2.81Å; S440-V481 PolarHBondContact O-N 2.93Å; S440-Y483 WeakPolarHBondContact OG-CE2 3.42Å; S440-Y483 PolarHBondContact OG-OH 2.82Å
441V84.8Confident73.1Confident0 Ų058 Ų580%033%0.332CS..EExtended strand (participates in β ladder)trans-96.9130.6173.7173.60000107.1L424 W426 S455 F456 V458 F478 V480L424-V441 HydrophobicContact CD1-CG1 3.46Å; L424-V441 VanDerWaalsContact CD1-CG1 3.46Å; L424-V441 HydrophobicContact CD1-CG2 4.22Å; W426-V441 HydrophobicContact CH2-CG2 4.05Å; W426-V441 HydrophobicContact CZ3-CG2 4.21Å; V441-S455 WeakPolarHBondContact O-CA 3.3Å; V441-S455 WeakPolarHBondContact O-CB 3.45Å; V441-F456 HydrophobicContact CB-CD2 4.39Å; V441-F456 HydrophobicContact CB-CE1 4.03Å; V441-F456 HydrophobicContact CB-CE2 3.74Å; V441-F456 HydrophobicContact CB-CZ 3.55Å; V441-F456 HydrophobicContact CG1-CE1 3.94Å; V441-F456 HydrophobicContact CG1-CE2 4.33Å; V441-F456 HydrophobicContact CG1-CZ 3.63Å; V441-F456 HydrophobicContact CG2-CE2 4.01Å; V441-F456 HydrophobicContact CG2-CZ 4.1Å; V441-F456 PolarHBondContact N-O 3.48Å; V441-F456 PolarHBondContact O-N 3Å; V441-V458 HydrophobicContact CG2-CG2 3.72Å; V441-F478 HydrophobicContact CG1-CD1 4.43Å; V441-V480 HydrophobicContact CG2-CG2 4.17Å
442H86Confident73.1Confident30 Ų3055.5 Ų55.514%0.13933%0.326CS..EExtended strand (participates in β ladder)trans-117.5141.8174.9-59-106.4000108.3S440 S454 S455 F478 F479S440-H442 PolarHBondContact OG-NE2 3.42Å; H442-S454 CarbonylContact C-O 3.54Å; H442-S454 WeakPolarHBondContact CA-O 3.38Å; H442-S455 WeakPolarHBondContact ND1-CB 3.15Å; H442-F478 VanDerWaalsContact O-CA 3.3Å; H442-F478 WeakPolarHBondContact O-CA 3.23Å; H442-F479 HydrophobicContact CB-CD1 3.87Å; H442-F479 HydrophobicContact CB-CD2 3.94Å; H442-F479 HydrophobicContact CB-CE1 3.43Å; H442-F479 VanDerWaalsContact CB-CE1 3.43Å; H442-F479 HydrophobicContact CB-CE2 3.52Å; H442-F479 HydrophobicContact CB-CG 4.11Å; H442-F479 HydrophobicContact CB-CZ 3.25Å; H442-F479 AromaticContact CD2-CD2 3.94Å; H442-F479 AromaticContact CD2-CE2 3.46Å; H442-F479 VanDerWaalsContact CD2-CE2 3.46Å; H442-F479 WeakPolarHBondContact CD2-CE2 3.41Å; H442-F479 AromaticContact CG-CE2 3.36Å; H442-F479 AromaticContact CG-CZ 3.4Å; H442-F479 VanDerWaalsContact CG-CZ 3.4Å; H442-F479 PolarHBondContact N-O 2.99Å; H442-F479 AromaticContact ND1-CE2 3.98Å; H442-F479 AromaticContact ND1-CZ 3.82Å; H442-F479 PolarHBondContact O-N 2.82Å
443Y86.6Confident73.2Confident38 Ų3857.2 Ų57.215%0.14934%0.335CS..EExtended strand (participates in β ladder)trans-147.4136.3178.268-89000111.9S454 F456 V467 L470 Y476 T477 F478Y443-S454 WeakPolarHBondContact CD1-O 2.89Å; Y443-S454 VanDerWaalsContact CZ-CB 3.42Å; Y443-S454 PolarHBondContact N-O 2.98Å; Y443-S454 PolarHBondContact O-N 2.92Å; Y443-F456 HydrophobicContact CD1-CD1 4.41Å; Y443-F456 AromaticContact CD1-CE1 3.93Å; Y443-F456 HydrophobicContact CD1-CE1 3.93Å; Y443-F456 AromaticContact CE1-CD1 3.93Å; Y443-F456 HydrophobicContact CE1-CD1 3.93Å; Y443-F456 AromaticContact CE1-CE1 3.69Å; Y443-F456 HydrophobicContact CE1-CE1 3.69Å; Y443-V467 HydrophobicContact CD1-CG1 4.47Å; Y443-V467 HydrophobicContact CE1-CG1 4.33Å; Y443-L470 HydrophobicContact CD2-CD2 4.14Å; Y443-L470 HydrophobicContact CE2-CD2 3.92Å; Y443-Y476 AromaticContact CD2-CD1 3.71Å; Y443-Y476 HydrophobicContact CD2-CD1 3.71Å; Y443-Y476 AromaticContact CD2-CE1 3.76Å; Y443-Y476 HydrophobicContact CD2-CE1 3.76Å; Y443-Y476 HydrophobicContact CE2-CD1 4.4Å; Y443-Y476 HydrophobicContact CE2-CE1 4Å; Y443-T477 VanDerWaalsContact CA-O 3.29Å; Y443-T477 WeakPolarHBondContact CA-O 3.5Å; Y443-F478 HydrophobicContact CG-CD1 4.36Å; Y443-F478 AromaticContact CG-CE1 3.99Å; Y443-F478 HydrophobicContact CG-CE1 3.99Å
444Q87.5Confident73.3Confident71 Ų7156.8 Ų56.833%0.33233%0.334SS..EExtended strand (participates in β ladder)trans-129.2147.2179.761.6178.3-6.500111.8I451 Q452 D453 Y476 T477Q444-I451 HydrophobicContact CB-CG2 4.16Å; Q444-Q452 VanDerWaalsContact CA-O 3.25Å; Q444-Q452 WeakPolarHBondContact CA-O 3.22Å; Q444-D453 HydrophobicContact CB-CB 4.4Å; Q444-Y476 WeakPolarHBondContact O-CA 3.44Å; Q444-T477 PolarHBondContact N-O 3.47Å; Q444-T477 PolarHBondContact O-N 2.86Å
445F82.6Confident73.7Confident33 Ų3354 Ų5415%0.14533%0.325CS..EExtended strand (participates in β ladder)trans-141.1157.4171.673.1-74.3000111.4A447 Q452 L471 T474 A475 Y476F445-A447 HydrophobicContact CD2-CB 4.43Å; F445-A447 HydrophobicContact CE2-CB 3.92Å; F445-Q452 HydrophobicContact CD1-CB 3.84Å; F445-Q452 HydrophobicContact CE1-CB 3.4Å; F445-Q452 HydrophobicContact CE1-CG 4.27Å; F445-Q452 HydrophobicContact CE2-CB 4.44Å; F445-Q452 HydrophobicContact CZ-CB 3.74Å; F445-Q452 HydrophobicContact CZ-CG 4.11Å; F445-Q452 PolarHBondContact N-O 3.27Å; F445-Q452 PolarHBondContact O-N 2.9Å; F445-L471 HydrophobicContact CD2-CD1 4.47Å; F445-L471 HydrophobicContact CE2-CD1 3.62Å; F445-L471 HydrophobicContact CZ-CD1 3.89Å; F445-T474 HydrophobicContact CB-CG2 3.97Å; F445-T474 HydrophobicContact CD2-CG2 3.64Å; F445-T474 HydrophobicContact CE2-CG2 4.47Å; F445-T474 HydrophobicContact CG-CG2 4.08Å; F445-A475 WeakPolarHBondContact CB-O 3.28Å; F445-Y476 HydrophobicContact CB-CD1 3.7Å; F445-Y476 HydrophobicContact CB-CE1 3.68Å; F445-Y476 HydrophobicContact CB-CG 4.2Å; F445-Y476 HydrophobicContact CD1-CD1 4.05Å; F445-Y476 AromaticContact CD1-CE1 3.29Å; F445-Y476 HydrophobicContact CD1-CE1 3.29Å; F445-Y476 AromaticContact CD1-CZ 3.88Å; F445-Y476 HydrophobicContact CE1-CE1 4.03Å; F445-Y476 HydrophobicContact CG-CD1 4.17Å; F445-Y476 AromaticContact CG-CE1 3.61Å; F445-Y476 HydrophobicContact CG-CE1 3.61Å; F445-Y476 AromaticContact CG-CZ 3.93Å
446T72.5Confident73.9Confident96 Ų9653.7 Ų53.759%0.58932%0.323SS*.EExtended strand (participates in β ladder)trans-99.1114.5-179.1-51.20000110.6G448T446-G448 WeakPolarHBondContact CG2-O 3.3Å
447A63.3Low73.6Confident43 Ų4355 Ų5536%0.35534%0.335SS..EExtended strand (participates in β ladder)trans-102.678.4177.800000110.3F445 S449 D450 Q452F445-A447 HydrophobicContact CD2-CB 4.43Å; F445-A447 HydrophobicContact CE2-CB 3.92Å; A447-S449 PolarHBondContact O-N 3.09Å; A447-D450 PolarHBondContact N-O 2.93Å; A447-Q452 HydrophobicContact CB-CG 4.27Å
448G64.4Low73.6Confident73 Ų7352.6 Ų52.675%0.75332%0.323SS*.THydrogen-bonded Turntrans79.9-107.8-174.200000111.3T446T446-G448 WeakPolarHBondContact CG2-O 3.3Å
449S54.8Low73.4Confident131 Ų13154.7 Ų54.792%0.91634%0.337SS*.THydrogen-bonded Turntrans-1041.4177.565.40000114.1A447A447-S449 PolarHBondContact O-N 3.09Å
450D58.5Low73Confident89 Ų8957.8 Ų57.848%0.47635%0.353SS..EExtended strand (participates in β ladder)trans-115.6140.2-173.4-168.737.9000110.8A447 Q452A447-D450 PolarHBondContact N-O 2.93Å; D450-Q452 PolarHBondContact OD2-NE2 3.17Å
451I69.8Low72.6Confident102 Ų10263.2 Ų63.252%0.52338%0.381SS..EExtended strand (participates in β ladder)trans-97.1117.5178.4-60.6174.6000107.6Q444Q444-I451 HydrophobicContact CB-CG2 4.16Å
452Q69.7Low72.2Confident86 Ų8665.7 Ų65.740%0.40240%0.397SS..EExtended strand (participates in β ladder)trans-97.6112.2175.4-69-69.8-52.600108.1Q444 F445 A447 D450Q444-Q452 VanDerWaalsContact CA-O 3.25Å; Q444-Q452 WeakPolarHBondContact CA-O 3.22Å; F445-Q452 HydrophobicContact CD1-CB 3.84Å; F445-Q452 HydrophobicContact CE1-CB 3.4Å; F445-Q452 HydrophobicContact CE1-CG 4.27Å; F445-Q452 HydrophobicContact CE2-CB 4.44Å; F445-Q452 HydrophobicContact CZ-CB 3.74Å; F445-Q452 HydrophobicContact CZ-CG 4.11Å; F445-Q452 PolarHBondContact N-O 3.27Å; F445-Q452 PolarHBondContact O-N 2.9Å; A447-Q452 HydrophobicContact CB-CG 4.27Å; D450-Q452 PolarHBondContact OD2-NE2 3.17Å
453D70.8Confident72.2Confident93 Ų9366 Ų6650%0.49740%0.401SS..EExtended strand (participates in β ladder)trans-106148.5179-176.127000110.5Q444Q444-D453 HydrophobicContact CB-CB 4.4Å
454S74Confident72.4Confident49 Ų4969.3 Ų69.334%0.34342%0.418SS..EExtended strand (participates in β ladder)trans-158.5142-175.7-78.40000111.3H442 Y443H442-S454 CarbonylContact C-O 3.54Å; H442-S454 WeakPolarHBondContact CA-O 3.38Å; Y443-S454 WeakPolarHBondContact CD1-O 2.89Å; Y443-S454 VanDerWaalsContact CZ-CB 3.42Å; Y443-S454 PolarHBondContact N-O 2.98Å; Y443-S454 PolarHBondContact O-N 2.92Å
455S75.9Confident72.3Confident67 Ų6770.3 Ų70.347%0.46942%0.419SS..EExtended strand (participates in β ladder)trans-146.5154.418060.40000113.3V441 H442V441-S455 WeakPolarHBondContact O-CA 3.3Å; V441-S455 WeakPolarHBondContact O-CB 3.45Å; H442-S455 WeakPolarHBondContact ND1-CB 3.15Å
456F70.4Confident72.6Confident33 Ų3371.5 Ų71.515%0.14543%0.427CS..EExtended strand (participates in β ladder)trans-149.4152.4177.958-90.7000111.2S440 V441 Y443 V458 Y465 V467S440-F456 CarbonylContact C-O 3.58Å; S440-F456 VanDerWaalsContact CA-O 3.27Å; S440-F456 WeakPolarHBondContact CA-O 3.45Å; S440-F456 WeakPolarHBondContact CB-O 3.47Å; V441-F456 HydrophobicContact CB-CD2 4.39Å; V441-F456 HydrophobicContact CB-CE1 4.03Å; V441-F456 HydrophobicContact CB-CE2 3.74Å; V441-F456 HydrophobicContact CB-CZ 3.55Å; V441-F456 HydrophobicContact CG1-CE1 3.94Å; V441-F456 HydrophobicContact CG1-CE2 4.33Å; V441-F456 HydrophobicContact CG1-CZ 3.63Å; V441-F456 HydrophobicContact CG2-CE2 4.01Å; V441-F456 HydrophobicContact CG2-CZ 4.1Å; V441-F456 PolarHBondContact N-O 3.48Å; V441-F456 PolarHBondContact O-N 3Å; Y443-F456 HydrophobicContact CD1-CD1 4.41Å; Y443-F456 AromaticContact CD1-CE1 3.93Å; Y443-F456 HydrophobicContact CD1-CE1 3.93Å; Y443-F456 AromaticContact CE1-CD1 3.93Å; Y443-F456 HydrophobicContact CE1-CD1 3.93Å; Y443-F456 AromaticContact CE1-CE1 3.69Å; Y443-F456 HydrophobicContact CE1-CE1 3.69Å; F456-V458 HydrophobicContact CD2-CG2 3.85Å; F456-V458 HydrophobicContact CE2-CG2 3.58Å; F456-Y465 HydrophobicContact CD2-CE1 4.11Å; F456-Y465 AromaticContact CE2-CD1 3.43Å; F456-Y465 HydrophobicContact CE2-CD1 3.43Å; F456-Y465 VanDerWaalsContact CE2-CD1 3.43Å; F456-Y465 HydrophobicContact CE2-CD2 4.33Å; F456-Y465 AromaticContact CE2-CE1 3.17Å; F456-Y465 HydrophobicContact CE2-CE1 3.17Å; F456-Y465 HydrophobicContact CE2-CE2 4.1Å; F456-Y465 HydrophobicContact CE2-CG 4.01Å; F456-Y465 AromaticContact CE2-CZ 3.53Å; F456-Y465 AromaticContact CZ-CD1 3.58Å; F456-Y465 HydrophobicContact CZ-CD1 3.58Å; F456-Y465 AromaticContact CZ-CE1 3.44Å; F456-Y465 HydrophobicContact CZ-CE1 3.44Å; F456-Y465 VanDerWaalsContact CZ-CE1 3.44Å; F456-Y465 HydrophobicContact CZ-CG 4.49Å; F456-V467 HydrophobicContact CE1-CG1 4.17Å; F456-V467 HydrophobicContact CZ-CG1 4.37Å; F456-V467 HydrophobicContact CZ-CG2 4.18Å
457A67.6Low73.2Confident37 Ų3767 Ų6731%0.30640%0.399SS..EExtended strand (participates in β ladder)trans-79.9143.4176.900000111.3Y439Y439-A457 WeakPolarHBondContact O-CA 3.41Å
458V70.9Confident74.3Confident7 Ų771.1 Ų71.14%0.04241%0.409CS..EExtended strand (participates in β ladder)trans-123.6145.9174.8179.90000108.7W426 Y439 V441 F456 T462 Y465W426-V458 HydrophobicContact CH2-CB 4.48Å; W426-V458 HydrophobicContact CH2-CG1 4.04Å; W426-V458 HydrophobicContact CZ2-CG1 4.2Å; Y439-V458 PolarHBondContact N-O 2.7Å; Y439-V458 PolarHBondContact O-N 3.02Å; Y439-V458 VanDerWaalsContact O-O 3.12Å; V441-V458 HydrophobicContact CG2-CG2 3.72Å; F456-V458 HydrophobicContact CD2-CG2 3.85Å; F456-V458 HydrophobicContact CE2-CG2 3.58Å; V458-T462 VanDerWaalsContact CG1-OG1 3.31Å; V458-T462 WeakPolarHBondContact CG1-OG1 3.36Å; V458-Y465 HydrophobicContact CB-CD2 4.36Å; V458-Y465 HydrophobicContact CG1-CD2 3.82Å; V458-Y465 HydrophobicContact CG2-CD2 3.63Å; V458-Y465 HydrophobicContact CG2-CE2 4.02Å; V458-Y465 HydrophobicContact CG2-CG 3.94Å
459S69.9Low75.2Confident60 Ų6075.6 Ų75.642%0.4241%0.41SS..EExtended strand (participates in β ladder)trans-70.8150.8-176.7-172.30000112.2D461 T462S459-D461 VanDerWaalsContact C-N 3.34Å; S459-D461 WeakPolarHBondContact CB-OD1 3.43Å; S459-D461 PolarHBondContact O-N 2.83Å; S459-D461 PolarHBondContact OG-OD1 3.34Å; S459-T462 PolarHBondContact O-N 2.87Å; S459-T462 PolarHBondContact O-OG1 3.5Å
460N72.7Confident76.8Confident66 Ų6669.5 Ų69.535%0.35337%0.367SS..THydrogen-bonded Turntrans-76-17-174.164.4-26.8000114.9I436 T462I436-N460 HydrophobicContact CG2-CB 4.15Å; I436-N460 VanDerWaalsContact O-CB 3.26Å; I436-N460 WeakPolarHBondContact O-CB 3.22Å; I436-N460 PolarHBondContact O-ND2 2.73Å; N460-T462 VanDerWaalsContact C-N 3.26Å
461D72.8Confident78.1Confident123 Ų12368.1 Ų68.166%0.65836%0.36SS*.THydrogen-bonded Turntrans-74.7-15.217361.8-23.7000113S459S459-D461 VanDerWaalsContact C-N 3.34Å; S459-D461 WeakPolarHBondContact CB-OD1 3.43Å; S459-D461 PolarHBondContact O-N 2.83Å; S459-D461 PolarHBondContact OG-OD1 3.34Å
462T75.3Confident78.9Confident52 Ų5263.8 Ų63.832%0.31934%0.338SS..  trans-112.2146.7178.758.90000112.7V458 S459 N460V458-T462 VanDerWaalsContact CG1-OG1 3.31Å; V458-T462 WeakPolarHBondContact CG1-OG1 3.36Å; S459-T462 PolarHBondContact O-N 2.87Å; S459-T462 PolarHBondContact O-OG1 3.5Å; N460-T462 VanDerWaalsContact C-N 3.26Å
463T87.3Confident79.8Confident38 Ų3863.3 Ų63.323%0.23334%0.336CS..SBendtrans-125.420.9166.563.90000112.3W426 K428 Y439W426-T463 PolarHBondContact N-O 2.9Å; W426-T463 WeakPolarHBondContact O-CB 3.24Å; W426-T463 PolarHBondContact O-OG1 3.09Å; W426-T463 VanDerWaalsContact O-OG1 3.12Å; K428-T463 HydrophobicContact CD-CG2 4.49Å; K428-T463 HydrophobicContact CG-CG2 3.71Å; Y439-T463 HydrophobicContact CE2-CG2 4.34Å
464E89Confident80.6Confident107 Ų10760.3 Ų60.350%0.532%0.321SS..EExtended strand (participates in β ladder)trans-136.5145.9175.1-52.8-159.8133.600109.4L424 S425L424-E464 CarbonylContact O-C 3.59Å; L424-E464 VanDerWaalsContact O-CA 3.23Å; L424-E464 WeakPolarHBondContact O-CA 3.44Å; S425-E464 VanDerWaalsContact CB-OE1 3.26Å; S425-E464 WeakPolarHBondContact CB-OE1 3.48Å; S425-E464 WeakPolarHBondContact OG-CG 3.47Å; S425-E464 PolarHBondContact OG-OE1 2.84Å
465Y86.6Confident81.3Confident92 Ų9260.5 Ų60.536%0.36133%0.326SS..EExtended strand (participates in β ladder)trans-152.5133.6178.6-164.8-87.9000112.9L424 F456 V458 V467L424-Y465 PolarHBondContact N-O 3.26Å; L424-Y465 PolarHBondContact O-N 3.05Å; F456-Y465 HydrophobicContact CD2-CE1 4.11Å; F456-Y465 AromaticContact CE2-CD1 3.43Å; F456-Y465 HydrophobicContact CE2-CD1 3.43Å; F456-Y465 VanDerWaalsContact CE2-CD1 3.43Å; F456-Y465 HydrophobicContact CE2-CD2 4.33Å; F456-Y465 AromaticContact CE2-CE1 3.17Å; F456-Y465 HydrophobicContact CE2-CE1 3.17Å; F456-Y465 HydrophobicContact CE2-CE2 4.1Å; F456-Y465 HydrophobicContact CE2-CG 4.01Å; F456-Y465 AromaticContact CE2-CZ 3.53Å; F456-Y465 AromaticContact CZ-CD1 3.58Å; F456-Y465 HydrophobicContact CZ-CD1 3.58Å; F456-Y465 AromaticContact CZ-CE1 3.44Å; F456-Y465 HydrophobicContact CZ-CE1 3.44Å; F456-Y465 VanDerWaalsContact CZ-CE1 3.44Å; F456-Y465 HydrophobicContact CZ-CG 4.49Å; V458-Y465 HydrophobicContact CB-CD2 4.36Å; V458-Y465 HydrophobicContact CG1-CD2 3.82Å; V458-Y465 HydrophobicContact CG2-CD2 3.63Å; V458-Y465 HydrophobicContact CG2-CE2 4.02Å; V458-Y465 HydrophobicContact CG2-CG 3.94Å; Y465-V467 HydrophobicContact CD1-CG2 4.31Å; Y465-V467 PolarHBondContact O-N 3.12Å
466L88.1Confident82Confident57 Ų5757.5 Ų57.530%0.29830%0.304SS..EExtended strand (participates in β ladder)trans-90.5100173.1-176.468.7000110.1H417 A422 L423H417-L466 HydrophobicContact CB-CD1 3.93Å; A422-L466 CarbonylContact O-C 3.28Å; L423-L466 HydrophobicContact CB-CD1 4.23Å; L423-L466 HydrophobicContact CD1-CB 4.41Å
467V86.4Confident83Confident2 Ų257.3 Ų57.31%0.01231%0.305CS..EExtended strand (participates in β ladder)trans-66.9138.8172-164.20000109T421 A422 L424 Y443 F456 Y465 L470 F478T421-V467 CarbonylContact C-O 3.55Å; T421-V467 WeakPolarHBondContact CA-O 3.13Å; T421-V467 VanDerWaalsContact CB-O 3.29Å; T421-V467 WeakPolarHBondContact CB-O 3.28Å; A422-V467 PolarHBondContact N-O 2.88Å; A422-V467 PolarHBondContact O-N 2.89Å; L424-V467 HydrophobicContact CD1-CG2 3.64Å; L424-V467 HydrophobicContact CG-CG2 3.85Å; Y443-V467 HydrophobicContact CD1-CG1 4.47Å; Y443-V467 HydrophobicContact CE1-CG1 4.33Å; F456-V467 HydrophobicContact CE1-CG1 4.17Å; F456-V467 HydrophobicContact CZ-CG1 4.37Å; F456-V467 HydrophobicContact CZ-CG2 4.18Å; Y465-V467 HydrophobicContact CD1-CG2 4.31Å; Y465-V467 PolarHBondContact O-N 3.12Å; V467-L470 HydrophobicContact CB-CD1 4.22Å; V467-L470 HydrophobicContact CG1-CD1 4.15Å; V467-L470 HydrophobicContact CG1-CD2 3.86Å; V467-L470 HydrophobicContact CG1-CG 4.1Å; V467-F478 HydrophobicContact CB-CE1 4.46Å; V467-F478 HydrophobicContact CG1-CE1 4.28Å; V467-F478 HydrophobicContact CG2-CE1 3.97Å
468K84.6Confident84.2Confident130 Ų13055.5 Ų55.557%0.56529%0.291SS*.  trans-128.7170.5-177.1-57.5-178.4-175.6175.90110.9T420 T421 L470T420-K468 CarbonylContact O-C 3.48Å; T421-K468 HydrophobicContact CG2-CB 4.28Å; T421-K468 HydrophobicContact CG2-CG 4Å; K468-L470 PolarHBondContact O-N 2.91Å
469E85.1Confident85.2Confident166 Ų16657.6 Ų57.678%0.77630%0.299SS*.SBendtrans63.322.5177.9-53.9-177.117600113.7T420T420-E469 PolarHBondContact O-N 3.22Å; T420-E469 VanDerWaalsContact O-N 3.16Å
470L87.2Confident86.2Confident3 Ų354.7 Ų54.72%0.01628%0.279CS..PPolyproline II helixtrans-71.7151.4172.7-58.7177.6000110.6T420 A422 Y443 V467 K468 Y476 F478 M499T420-L470 WeakPolarHBondContact CA-O 3.44Å; T420-L470 WeakPolarHBondContact CB-O 3.45Å; T420-L470 WeakPolarHBondContact CG2-O 3.18Å; T420-L470 PolarHBondContact O-N 3.25Å; A422-L470 HydrophobicContact CB-CD1 3.61Å; Y443-L470 HydrophobicContact CD2-CD2 4.14Å; Y443-L470 HydrophobicContact CE2-CD2 3.92Å; V467-L470 HydrophobicContact CB-CD1 4.22Å; V467-L470 HydrophobicContact CG1-CD1 4.15Å; V467-L470 HydrophobicContact CG1-CD2 3.86Å; V467-L470 HydrophobicContact CG1-CG 4.1Å; K468-L470 PolarHBondContact O-N 2.91Å; L470-Y476 HydrophobicContact CB-CE2 3.91Å; L470-Y476 HydrophobicContact CD2-CD1 4.05Å; L470-Y476 HydrophobicContact CD2-CD2 4.36Å; L470-Y476 HydrophobicContact CD2-CE1 3.73Å; L470-Y476 HydrophobicContact CD2-CE2 4.08Å; L470-Y476 HydrophobicContact CD2-CG 4.35Å; L470-Y476 HydrophobicContact CG-CE2 4.47Å; L470-F478 HydrophobicContact CD1-CZ 4.05Å; L470-M499 HydrophobicContact CB-CE 4.41Å; L470-M499 HydrophobicContact CB-CG 4.31Å; L470-M499 HydrophobicContact CB-SD 4.5Å; L470-M499 HydrophobicContact CD1-CE 3.84Å; L470-M499 HydrophobicContact CD1-CG 4.49Å; L470-M499 HydrophobicContact CD1-SD 3.68Å
471L86.3Confident86.7Confident60 Ų6052.1 Ų52.131%0.31427%0.266SS..PPolyproline II helixtrans-78.5132.9175.1-64.1178.9000110.7F445 T474 Y476 M499F445-L471 HydrophobicContact CD2-CD1 4.47Å; F445-L471 HydrophobicContact CE2-CD1 3.62Å; F445-L471 HydrophobicContact CZ-CD1 3.89Å; L471-T474 HydrophobicContact CB-CG2 4.37Å; L471-T474 WeakPolarHBondContact CB-OG1 3.39Å; L471-T474 WeakPolarHBondContact O-CB 3.32Å; L471-T474 PolarHBondContact O-OG1 2.93Å; L471-Y476 PolarHBondContact N-OH 2.83Å; L471-M499 WeakPolarHBondContact O-CB 3.36Å; L471-M499 WeakPolarHBondContact O-CG 3.23Å
472P87.1Confident87.2Confident11 Ų1146.2 Ų46.27%0.07123%0.234CC..THydrogen-bonded Turntrans-59.5151.1172.4-26.636.9000113.1S419 T420 T474 D502 R533S419-P472 WeakPolarHBondContact O-CA 3.08Å; T420-P472 HydrophobicContact CG2-CG 3.91Å; P472-T474 PolarHBondContact O-N 2.82Å; P472-T474 VanDerWaalsContact O-N 3.12Å; P472-T474 PolarHBondContact O-OG1 2.97Å; P472-T474 VanDerWaalsContact O-OG1 3.04Å; P472-D502 HydrophobicContact CB-CB 3.84Å; P472-D502 HydrophobicContact CG-CB 3.88Å; P472-R533 HydrophobicContact CB-CB 3.88Å; P472-R533 HydrophobicContact CB-CG 4.46Å; P472-R533 HydrophobicContact CG-CB 4.11Å; P472-R533 HydrophobicContact CG-CG 4.23Å
473H87.3Confident87.2Confident77 Ų7747.5 Ų47.536%0.35623%0.234SC..THydrogen-bonded Turntrans46.442.4179-169.347.6000113.1E498 M499 L500 E501H473-E498 IonicContact CE1-OE1 3.94Å; H473-E498 PolarHBondContact CE1-OE1 2.76Å; H473-E498 IonicContact ND1-OE1 2.81Å; H473-E498 PolarHBondContact ND1-OE1 2.87Å; H473-M499 VanDerWaalsContact CA-O 3.3Å; H473-M499 WeakPolarHBondContact CA-O 3.26Å; H473-M499 PolarHBondContact N-O 3.11Å; H473-L500 PolarHBondContact N-O 3.24Å; H473-L500 VanDerWaalsContact N-O 3.09Å; H473-E501 HydrophobicContact CB-CG 4.48Å
474T87.4Confident86.5Confident29 Ų2946 Ų4618%0.17822%0.224CC..  trans-126135.7-179.6-59.80000108.7F445 L471 P472 Y476 M499F445-T474 HydrophobicContact CB-CG2 3.97Å; F445-T474 HydrophobicContact CD2-CG2 3.64Å; F445-T474 HydrophobicContact CE2-CG2 4.47Å; F445-T474 HydrophobicContact CG-CG2 4.08Å; L471-T474 HydrophobicContact CB-CG2 4.37Å; L471-T474 WeakPolarHBondContact CB-OG1 3.39Å; L471-T474 WeakPolarHBondContact O-CB 3.32Å; L471-T474 PolarHBondContact O-OG1 2.93Å; P472-T474 PolarHBondContact O-N 2.82Å; P472-T474 VanDerWaalsContact O-N 3.12Å; P472-T474 PolarHBondContact O-OG1 2.97Å; P472-T474 VanDerWaalsContact O-OG1 3.04Å; T474-Y476 HydrophobicContact CG2-CD2 4.13Å; T474-Y476 HydrophobicContact CG2-CE2 3.65Å; T474-M499 WeakPolarHBondContact O-CG 3.4Å; T474-M499 PolarHBondContact O-N 2.82Å
475A89.6Confident85.1Confident54 Ų5444 Ų4445%0.44622%0.221SC..EExtended strand (participates in β ladder)trans-83.7124.3175.800000110.7F445 I497F445-A475 WeakPolarHBondContact CB-O 3.28Å; A475-I497 CarbonylContact C-O 3.51Å; A475-I497 WeakPolarHBondContact CA-O 3.49Å
476Y90.6Very high83.5Confident4 Ų444.8 Ų44.82%0.01623%0.229CC..EExtended strand (participates in β ladder)trans-117.7137178.6-77.6-88.7000110.5Y443 Q444 F445 L470 L471 T474 F478 T496 I497 M499Y443-Y476 AromaticContact CD2-CD1 3.71Å; Y443-Y476 HydrophobicContact CD2-CD1 3.71Å; Y443-Y476 AromaticContact CD2-CE1 3.76Å; Y443-Y476 HydrophobicContact CD2-CE1 3.76Å; Y443-Y476 HydrophobicContact CE2-CD1 4.4Å; Y443-Y476 HydrophobicContact CE2-CE1 4Å; Q444-Y476 WeakPolarHBondContact O-CA 3.44Å; F445-Y476 HydrophobicContact CB-CD1 3.7Å; F445-Y476 HydrophobicContact CB-CE1 3.68Å; F445-Y476 HydrophobicContact CB-CG 4.2Å; F445-Y476 HydrophobicContact CD1-CD1 4.05Å; F445-Y476 AromaticContact CD1-CE1 3.29Å; F445-Y476 HydrophobicContact CD1-CE1 3.29Å; F445-Y476 AromaticContact CD1-CZ 3.88Å; F445-Y476 HydrophobicContact CE1-CE1 4.03Å; F445-Y476 HydrophobicContact CG-CD1 4.17Å; F445-Y476 AromaticContact CG-CE1 3.61Å; F445-Y476 HydrophobicContact CG-CE1 3.61Å; F445-Y476 AromaticContact CG-CZ 3.93Å; L470-Y476 HydrophobicContact CB-CE2 3.91Å; L470-Y476 HydrophobicContact CD2-CD1 4.05Å; L470-Y476 HydrophobicContact CD2-CD2 4.36Å; L470-Y476 HydrophobicContact CD2-CE1 3.73Å; L470-Y476 HydrophobicContact CD2-CE2 4.08Å; L470-Y476 HydrophobicContact CD2-CG 4.35Å; L470-Y476 HydrophobicContact CG-CE2 4.47Å; L471-Y476 PolarHBondContact N-OH 2.83Å; T474-Y476 HydrophobicContact CG2-CD2 4.13Å; T474-Y476 HydrophobicContact CG2-CE2 3.65Å; Y476-F478 HydrophobicContact CG-CE2 4.43Å; Y476-F478 HydrophobicContact CG-CZ 4.22Å; Y476-T496 CarbonylContact O-C 3.51Å; Y476-T496 VanDerWaalsContact O-CA 3.29Å; Y476-T496 WeakPolarHBondContact O-CA 3.2Å; Y476-I497 PolarHBondContact N-O 3.45Å; Y476-I497 PolarHBondContact O-N 3.02Å; Y476-M499 HydrophobicContact CD2-CG 3.75Å; Y476-M499 HydrophobicContact CD2-SD 4.39Å; Y476-M499 HydrophobicContact CE2-CG 3.97Å
477T92.1Very high81.8Confident28 Ų2843.3 Ų43.317%0.17223%0.227CC..EExtended strand (participates in β ladder)trans-108.2123.4172.3-57.20000109.8Y443 Q444 P494 I495 T496Y443-T477 VanDerWaalsContact CA-O 3.29Å; Y443-T477 WeakPolarHBondContact CA-O 3.5Å; Q444-T477 PolarHBondContact N-O 3.47Å; Q444-T477 PolarHBondContact O-N 2.86Å; T477-P494 HydrophobicContact CG2-CB 3.88Å; T477-I495 CarbonylContact C-O 3.57Å; T477-I495 WeakPolarHBondContact CA-O 3.37Å; T477-T496 PolarHBondContact OG1-OG1 3.21Å
478F92.4Very high80.8Confident0 Ų045.1 Ų45.10%024%0.243CC..EExtended strand (participates in β ladder)trans-111.4146.3-175.3-62.7-89.2000111.9A422 L424 V441 H442 Y443 V467 L470 Y476 P494 I495 I497A422-F478 HydrophobicContact CB-CZ 4.32Å; L424-F478 HydrophobicContact CD1-CB 4.44Å; L424-F478 HydrophobicContact CD1-CD1 3.78Å; L424-F478 HydrophobicContact CD1-CE1 4.39Å; L424-F478 HydrophobicContact CD1-CG 4.28Å; L424-F478 HydrophobicContact CD2-CB 4.23Å; L424-F478 HydrophobicContact CD2-CD1 4.07Å; L424-F478 HydrophobicContact CD2-CD2 4.23Å; L424-F478 HydrophobicContact CD2-CG 3.92Å; L424-F478 HydrophobicContact CG-CD1 4.45Å; V441-F478 HydrophobicContact CG1-CD1 4.43Å; H442-F478 VanDerWaalsContact O-CA 3.3Å; H442-F478 WeakPolarHBondContact O-CA 3.23Å; Y443-F478 HydrophobicContact CG-CD1 4.36Å; Y443-F478 AromaticContact CG-CE1 3.99Å; Y443-F478 HydrophobicContact CG-CE1 3.99Å; V467-F478 HydrophobicContact CB-CE1 4.46Å; V467-F478 HydrophobicContact CG1-CE1 4.28Å; V467-F478 HydrophobicContact CG2-CE1 3.97Å; L470-F478 HydrophobicContact CD1-CZ 4.05Å; Y476-F478 HydrophobicContact CG-CE2 4.43Å; Y476-F478 HydrophobicContact CG-CZ 4.22Å; F478-P494 CarbonylContact O-C 3.52Å; F478-P494 VanDerWaalsContact O-CA 3.22Å; F478-P494 WeakPolarHBondContact O-CA 3.15Å; F478-I495 HydrophobicContact CB-CG2 4.07Å; F478-I495 PolarHBondContact N-O 3.16Å; F478-I495 PolarHBondContact O-N 2.68Å; F478-I497 HydrophobicContact CD2-CG1 4.14Å; F478-I497 HydrophobicContact CE2-CD1 3.93Å; F478-I497 HydrophobicContact CE2-CG1 3.66Å
479F91.6Very high80.7Confident50 Ų5039.3 Ų39.322%0.21922%0.219CC..EExtended strand (participates in β ladder)trans-146.7159.9163.365.5-90.3000111.4H442 V481 P491 P494H442-F479 HydrophobicContact CB-CD1 3.87Å; H442-F479 HydrophobicContact CB-CD2 3.94Å; H442-F479 HydrophobicContact CB-CE1 3.43Å; H442-F479 VanDerWaalsContact CB-CE1 3.43Å; H442-F479 HydrophobicContact CB-CE2 3.52Å; H442-F479 HydrophobicContact CB-CG 4.11Å; H442-F479 HydrophobicContact CB-CZ 3.25Å; H442-F479 AromaticContact CD2-CD2 3.94Å; H442-F479 AromaticContact CD2-CE2 3.46Å; H442-F479 VanDerWaalsContact CD2-CE2 3.46Å; H442-F479 WeakPolarHBondContact CD2-CE2 3.41Å; H442-F479 AromaticContact CG-CE2 3.36Å; H442-F479 AromaticContact CG-CZ 3.4Å; H442-F479 VanDerWaalsContact CG-CZ 3.4Å; H442-F479 PolarHBondContact N-O 2.99Å; H442-F479 AromaticContact ND1-CE2 3.98Å; H442-F479 AromaticContact ND1-CZ 3.82Å; H442-F479 PolarHBondContact O-N 2.82Å; F479-V481 HydrophobicContact CD2-CG2 4.13Å; F479-V481 HydrophobicContact CE2-CG2 4.04Å; F479-P491 HydrophobicContact CD2-CB 3.59Å; F479-P491 HydrophobicContact CE2-CB 4.04Å; F479-P491 HydrophobicContact CG-CB 4.39Å; F479-P494 HydrophobicContact CB-CB 4.43Å
480V90.1Very high80.5Confident0 Ų034.9 Ų34.90%020%0.204CC..EExtended strand (participates in β ladder)trans-124.4142-177.2-175.80000110.9P409 L412 W426 Y439 S440 V441 S492P409-V480 HydrophobicContact CB-CB 4.5Å; P409-V480 HydrophobicContact CB-CG1 4.42Å; P409-V480 HydrophobicContact CG-CB 4.36Å; P409-V480 HydrophobicContact CG-CG1 4.09Å; L412-V480 HydrophobicContact CD1-CG2 3.74Å; L412-V480 HydrophobicContact CD2-CG2 4.07Å; W426-V480 HydrophobicContact CD2-CG1 4.18Å; W426-V480 HydrophobicContact CD2-CG2 4.23Å; W426-V480 HydrophobicContact CE3-CG2 4.06Å; W426-V480 HydrophobicContact CZ2-CG1 4.25Å; W426-V480 HydrophobicContact CZ3-CG2 4.39Å; Y439-V480 HydrophobicContact CD1-CG1 3.99Å; Y439-V480 HydrophobicContact CG-CG1 4.42Å; S440-V480 WeakPolarHBondContact O-CA 3.46Å; V441-V480 HydrophobicContact CG2-CG2 4.17Å; V480-S492 PolarHBondContact N-OG 3.05Å; V480-S492 PolarHBondContact O-N 3.13Å
481V84.3Confident80.4Confident11 Ų1138.1 Ų38.17%0.06723%0.225CC..EExtended strand (participates in β ladder)trans-123.1137177.6-178.60000109.2Y439 S440 F479 Y483 A488 P491Y439-V481 CarbonylContact C-O 3.55Å; Y439-V481 WeakPolarHBondContact CA-O 3.42Å; S440-V481 PolarHBondContact N-O 2.81Å; S440-V481 PolarHBondContact O-N 2.93Å; F479-V481 HydrophobicContact CD2-CG2 4.13Å; F479-V481 HydrophobicContact CE2-CG2 4.04Å; V481-Y483 HydrophobicContact CB-CE2 3.96Å; V481-Y483 HydrophobicContact CG1-CD2 4.35Å; V481-Y483 HydrophobicContact CG1-CE2 3.66Å; V481-A488 HydrophobicContact CG1-CB 3.91Å; V481-P491 HydrophobicContact CG2-CB 4.09Å
482A82.2Confident80.8Confident0 Ų035.5 Ų35.50%021%0.212CC..EExtended strand (participates in β ladder)trans-95.5150.8171.700000111.1P406 P409 P429 I436 Y439 A488 S489P406-A482 HydrophobicContact CB-CB 4.3Å; P409-A482 HydrophobicContact CG-CB 4.16Å; P429-A482 HydrophobicContact CG-CB 3.79Å; I436-A482 HydrophobicContact CD1-CB 4.26Å; Y439-A482 HydrophobicContact CD1-CB 3.86Å; Y439-A482 HydrophobicContact CE1-CB 3.69Å; A482-A488 CarbonylContact O-C 3.54Å; A482-A488 WeakPolarHBondContact O-CA 3.27Å; A482-S489 PolarHBondContact N-OG 2.7Å; A482-S489 PolarHBondContact O-N 3.27Å; A482-S489 PolarHBondContact O-OG 3.1Å
483Y75Confident81Confident79 Ų7941.7 Ų41.731%0.3124%0.244SC..EExtended strand (participates in β ladder)trans-127.9133.1177.5-66.3-103.5000110.5I436 I437 A438 S440 V481 G487 A488I436-Y483 CarbonylContact C-O 3.54Å; I436-Y483 VanDerWaalsContact CA-O 3.32Å; I436-Y483 WeakPolarHBondContact CA-O 3.15Å; I437-Y483 WeakPolarHBondContact CG1-O 3.46Å; I437-Y483 PolarHBondContact N-O 2.89Å; A438-Y483 PolarHBondContact O-N 2.96Å; S440-Y483 WeakPolarHBondContact OG-CE2 3.42Å; S440-Y483 PolarHBondContact OG-OH 2.82Å; V481-Y483 HydrophobicContact CB-CE2 3.96Å; V481-Y483 HydrophobicContact CG1-CD2 4.35Å; V481-Y483 HydrophobicContact CG1-CE2 3.66Å; Y483-G487 WeakPolarHBondContact CA-O 3.22Å; Y483-A488 HydrophobicContact CD1-CB 3.94Å; Y483-A488 HydrophobicContact CE1-CB 3.65Å
484S72.6Confident81.2Confident5 Ų542.2 Ų42.24%0.03525%0.254CS..EExtended strand (participates in β ladder)trans-115.2175.6164.179.50000110.3Q435 M486 G487Q435-S484 WeakPolarHBondContact O-CA 3.39Å; Q435-S484 VanDerWaalsContact O-CB 3.31Å; Q435-S484 WeakPolarHBondContact O-CB 3.44Å; S484-M486 PolarHBondContact O-N 3.04Å; S484-M486 VanDerWaalsContact O-N 3.14Å; S484-M486 PolarHBondContact OG-N 2.96Å; S484-G487 PolarHBondContact N-O 2.76Å; S484-G487 PolarHBondContact O-N 3.02Å
485P59.7Low81.4Confident65 Ų6543 Ų4342%0.42226%0.257SS..THydrogen-bonded Turntrans-54.4-26.8171.1-27.537.4000114Q435 I437Q435-P485 VanDerWaalsContact O-CD 3.27Å; Q435-P485 WeakPolarHBondContact O-CD 3.23Å; I437-P485 HydrophobicContact CG2-CG 4.28Å
486M53.6Low81.6Confident110 Ų11044.6 Ų44.654%0.54226%0.261SS..THydrogen-bonded Turntrans-76.9-21.8177.4-65-105.169.100113.7E403 L405 S484E403-M486 HydrophobicContact CB-CG 3.7Å; E403-M486 HydrophobicContact CB-SD 3.79Å; E403-M486 WeakPolarHBondContact OE2-CG 3.31Å; L405-M486 HydrophobicContact CD2-CB 4.08Å; L405-M486 WeakPolarHBondContact CD2-O 3.21Å; S484-M486 PolarHBondContact O-N 3.04Å; S484-M486 VanDerWaalsContact O-N 3.14Å; S484-M486 PolarHBondContact OG-N 2.96Å
487G51.8Low81.7Confident25 Ų2545.5 Ų45.526%0.25827%0.266SS..EExtended strand (participates in β ladder)trans139.2-163.2179.900000114.5Y483 S484Y483-G487 WeakPolarHBondContact CA-O 3.22Å; S484-G487 PolarHBondContact N-O 2.76Å; S484-G487 PolarHBondContact O-N 3.02Å
488A65.5Low81.6Confident41 Ų4149.4 Ų49.434%0.33928%0.282SS..EExtended strand (participates in β ladder)trans-86144.5-179.300000112.3V481 A482 Y483V481-A488 HydrophobicContact CG1-CB 3.91Å; A482-A488 CarbonylContact O-C 3.54Å; A482-A488 WeakPolarHBondContact O-CA 3.27Å; Y483-A488 HydrophobicContact CD1-CB 3.94Å; Y483-A488 HydrophobicContact CE1-CB 3.65Å
489S82.5Confident81.5Confident8 Ų849.6 Ų49.66%0.05628%0.283CS..PPolyproline II helixtrans-67.8166.8164.972.90000111.3P406 S407 A482P406-S489 WeakPolarHBondContact O-CA 3.29Å; P406-S489 WeakPolarHBondContact O-CB 3.4Å; S407-S489 VanDerWaalsContact O-CB 3.27Å; S407-S489 WeakPolarHBondContact O-CB 3.14Å; A482-S489 PolarHBondContact N-OG 2.7Å; A482-S489 PolarHBondContact O-N 3.27Å; A482-S489 PolarHBondContact O-OG 3.1Å
490P81.3Confident81.5Confident72 Ų7251.4 Ų51.447%0.46830%0.295SS..PPolyproline II helixtrans-56.1152.2154.2-19.232.6000110.7L408L408-P490 WeakPolarHBondContact CA-O 3.47Å; L408-P490 HydrophobicContact CB-CB 4.37Å; L408-P490 WeakPolarHBondContact CB-O 3.23Å
491P86.3Confident81.5Confident71 Ų7153.9 Ų53.946%0.46131%0.306SS..PPolyproline II helixtrans-67.7154.8175.429.7-35.2000111.6L408 F479 V481L408-P491 WeakPolarHBondContact CB-O 3.42Å; F479-P491 HydrophobicContact CD2-CB 3.59Å; F479-P491 HydrophobicContact CE2-CB 4.04Å; F479-P491 HydrophobicContact CG-CB 4.39Å; V481-P491 HydrophobicContact CG2-CB 4.09Å
492S93.7Very high81.6Confident6 Ų654.9 Ų54.94%0.04231%0.311CS..PPolyproline II helixtrans-59.9164.1166.373.40000111P409 L412 V480P409-S492 WeakPolarHBondContact O-CB 3.4Å; L412-S492 WeakPolarHBondContact CD2-OG 3.27Å; V480-S492 PolarHBondContact N-OG 3.05Å; V480-S492 PolarHBondContact O-N 3.13Å
493L90.7Very high81.9Confident141 Ų14157 Ų5774%0.73832%0.324SS*.PPolyproline II helixtrans-57.2136162.7-66.1175.5000109.2
494P91.8Very high82.7Confident87 Ų8753.4 Ų53.457%0.56531%0.31SS*.PPolyproline II helixtrans-76.6148.618030.8-34.6000111.3T477 F478 F479T477-P494 HydrophobicContact CG2-CB 3.88Å; F478-P494 CarbonylContact O-C 3.52Å; F478-P494 VanDerWaalsContact O-CA 3.22Å; F478-P494 WeakPolarHBondContact O-CA 3.15Å; F479-P494 HydrophobicContact CB-CB 4.43Å
495I92.4Very high83.3Confident46 Ų4654.4 Ų54.424%0.23632%0.317CS..EExtended strand (participates in β ladder)trans-127.1132.4176.3-171.1167.7000110.6L412 A414 T477 F478L412-I495 HydrophobicContact CD2-CG2 3.8Å; L412-I495 HydrophobicContact CG-CG2 3.93Å; A414-I495 HydrophobicContact CB-CD1 4.09Å; A414-I495 HydrophobicContact CB-CG1 4.41Å; A414-I495 HydrophobicContact CB-CG2 3.75Å; T477-I495 CarbonylContact C-O 3.57Å; T477-I495 WeakPolarHBondContact CA-O 3.37Å; F478-I495 HydrophobicContact CB-CG2 4.07Å; F478-I495 PolarHBondContact N-O 3.16Å; F478-I495 PolarHBondContact O-N 2.68Å
496T93.8Very high84.5Confident88 Ų8853.2 Ų53.254%0.5431%0.313SS..EExtended strand (participates in β ladder)trans-106.6129.9177.6-51.30000110.4Y476 T477Y476-T496 CarbonylContact O-C 3.51Å; Y476-T496 VanDerWaalsContact O-CA 3.29Å; Y476-T496 WeakPolarHBondContact O-CA 3.2Å; T477-T496 PolarHBondContact OG1-OG1 3.21Å
497I91.8Very high86Confident22 Ų2248.3 Ų48.311%0.11329%0.29CS..EExtended strand (participates in β ladder)trans-130.7154.9172.659.4161.6000110.8A414 A422 A475 Y476 F478 M499A414-I497 HydrophobicContact CB-CD1 4.04Å; A414-I497 HydrophobicContact CB-CG1 4.31Å; A414-I497 HydrophobicContact CB-CG2 3.82Å; A422-I497 HydrophobicContact CB-CD1 3.82Å; A475-I497 CarbonylContact C-O 3.51Å; A475-I497 WeakPolarHBondContact CA-O 3.49Å; Y476-I497 PolarHBondContact N-O 3.45Å; Y476-I497 PolarHBondContact O-N 3.02Å; F478-I497 HydrophobicContact CD2-CG1 4.14Å; F478-I497 HydrophobicContact CE2-CD1 3.93Å; F478-I497 HydrophobicContact CE2-CG1 3.66Å; I497-M499 HydrophobicContact CD1-SD 4.18Å
498E90.7Very high87Confident110 Ų11051.3 Ų51.351%0.51431%0.305SS..EExtended strand (participates in β ladder)trans-102.5132172.1-163.6-177.5149.400110H473H473-E498 IonicContact CE1-OE1 3.94Å; H473-E498 PolarHBondContact CE1-OE1 2.76Å; H473-E498 IonicContact ND1-OE1 2.81Å; H473-E498 PolarHBondContact ND1-OE1 2.87Å
499M91.1Very high87.5Confident4 Ų454.9 Ų54.92%0.0231%0.314CS..PPolyproline II helixtrans-73.5150177.2-59.6-49-59.200111.6P416 S418 T421 A422 L470 L471 H473 T474 Y476 I497P416-M499 HydrophobicContact CB-CE 4.07Å; P416-M499 HydrophobicContact CB-SD 4.43Å; S418-M499 WeakPolarHBondContact O-CE 3.48Å; T421-M499 VanDerWaalsContact O-CE 3.28Å; T421-M499 WeakPolarHBondContact O-CE 3.26Å; A422-M499 HydrophobicContact CB-CE 4.06Å; A422-M499 HydrophobicContact CB-SD 4.09Å; L470-M499 HydrophobicContact CB-CE 4.41Å; L470-M499 HydrophobicContact CB-CG 4.31Å; L470-M499 HydrophobicContact CB-SD 4.5Å; L470-M499 HydrophobicContact CD1-CE 3.84Å; L470-M499 HydrophobicContact CD1-CG 4.49Å; L470-M499 HydrophobicContact CD1-SD 3.68Å; L471-M499 WeakPolarHBondContact O-CB 3.36Å; L471-M499 WeakPolarHBondContact O-CG 3.23Å; H473-M499 VanDerWaalsContact CA-O 3.3Å; H473-M499 WeakPolarHBondContact CA-O 3.26Å; H473-M499 PolarHBondContact N-O 3.11Å; T474-M499 WeakPolarHBondContact O-CG 3.4Å; T474-M499 PolarHBondContact O-N 2.82Å; Y476-M499 HydrophobicContact CD2-CG 3.75Å; Y476-M499 HydrophobicContact CD2-SD 4.39Å; Y476-M499 HydrophobicContact CE2-CG 3.97Å; I497-M499 HydrophobicContact CD1-SD 4.18Å
500L90.4Very high87.6Confident89 Ų8955.7 Ų55.747%0.46632%0.318SS..PPolyproline II helixtrans-61.5153.8177.8-60.1173.4000112P416 H473P416-L500 HydrophobicContact CB-CG 4.19Å; P416-L500 HydrophobicContact CG-CD2 4.49Å; P416-L500 HydrophobicContact CG-CG 4.46Å; H473-L500 PolarHBondContact N-O 3.24Å; H473-L500 VanDerWaalsContact N-O 3.09Å
501E89.5Confident87.6Confident52 Ų5255.7 Ų55.724%0.24332%0.319CS..PPolyproline II helixtrans-62.6156.7167.2-67.2-156.2154.500111.7H473 A535 A584 V585H473-E501 HydrophobicContact CB-CG 4.48Å; E501-A535 WeakPolarHBondContact OE1-CB 3.4Å; E501-A535 PolarHBondContact OE1-N 3.11Å; E501-A584 WeakPolarHBondContact OE2-CB 3.45Å; E501-A584 PolarHBondContact OE2-N 3.42Å; E501-A584 VanDerWaalsContact OE2-N 3.15Å; E501-V585 HydrophobicContact CB-CG2 3.75Å
502D88.1Confident87.6Confident31 Ų3153.5 Ų53.517%0.16631%0.305CS..  trans-134.7174.6172.1-149.8-32.7000110S419 P472 R533 T583S419-D502 WeakPolarHBondContact CB-OD2 3.15Å; S419-D502 PolarHBondContact OG-OD2 2.93Å; P472-D502 HydrophobicContact CB-CB 3.84Å; P472-D502 HydrophobicContact CG-CB 3.88Å; D502-R533 HydrophobicContact CB-CB 4.03Å; D502-R533 PolarHBondContact N-O 2.83Å; D502-R533 IonicContact OD2-CZ 3.56Å; D502-R533 IonicContact OD2-NE 3.3Å; D502-R533 IonicContact OD2-NH2 3.44Å; D502-R533 PolarHBondContact OD2-NH2 2.78Å; D502-T583 WeakPolarHBondContact O-CB 3.47Å; D502-T583 WeakPolarHBondContact O-CG2 3.47Å; D502-T583 PolarHBondContact O-OG1 2.93Å
503V88.7Confident86.9Confident46 Ų4655.7 Ų55.728%0.27932%0.323SS..PPolyproline II helixtrans-71.2143168.6-59.40000110.8R533 V585V503-R533 WeakPolarHBondContact O-CD 3.32Å; V503-V585 HydrophobicContact CG1-CB 4.22Å; V503-V585 HydrophobicContact CG1-CG1 3.88Å
504P90.4Very high86.2Confident2 Ų250.2 Ų50.21%0.01330%0.296CS..PPolyproline II helixtrans-59.2158.9-180-30.337.6000115.4L527 S532 A581 T583 G588 V589P504-L527 HydrophobicContact CB-CD2 3.87Å; P504-S532 WeakPolarHBondContact CG-O 3.45Å; P504-A581 HydrophobicContact CB-CB 3.8Å; P504-A581 HydrophobicContact CG-CB 3.88Å; P504-T583 HydrophobicContact CG-CG2 3.77Å; P504-G588 WeakPolarHBondContact O-CA 3.2Å; P504-V589 PolarHBondContact O-N 2.82Å
505S86.3Confident85.5Confident26 Ų2650 Ų5018%0.18229%0.293CS..PPolyproline II helixtrans-80.4167.716564.90000112.1H531S505-H531 PolarHBondContact N-O 3.04Å; S505-H531 WeakPolarHBondContact OG-CA 3.41Å; S505-H531 WeakPolarHBondContact OG-CB 3.37Å; S505-H531 PolarHBondContact OG-ND1 3.26Å; S505-H531 PolarHBondContact OG-O 3.09Å
506A84.1Confident84.8Confident41 Ų4149 Ų4934%0.33929%0.291SS..PPolyproline II helixtrans-58.6125.4-178.400000112.1V589A506-V589 VanDerWaalsContact CA-O 3.29Å; A506-V589 WeakPolarHBondContact CA-O 3.42Å; A506-V589 HydrophobicContact CB-CB 4.29Å; A506-V589 HydrophobicContact CB-CG1 4.19Å
507P85.4Confident84.1Confident7 Ų746.9 Ų46.95%0.04528%0.278CS..PPolyproline II helixtrans-58.5123178.8-27.236.7000111.3Q509 L527 I579 A581P507-Q509 PolarHBondContact O-N 2.88Å; P507-L527 HydrophobicContact CB-CD1 4.27Å; P507-L527 HydrophobicContact CG-CD1 4.23Å; P507-I579 HydrophobicContact CB-CG2 4Å; P507-I579 WeakPolarHBondContact CD-O 3.27Å; P507-I579 HydrophobicContact CG-CG2 4.1Å; P507-A581 HydrophobicContact CG-CB 4.39Å
508P72.6Confident83.6Confident88 Ų8848.3 Ų48.357%0.57129%0.288SS*.SBendtrans-76.3-17.7-162.226.8-35.4000115
509Q75.6Confident83.4Confident116 Ų11644.9 Ų44.954%0.54227%0.274SS..  trans-144.1118.3179.6-64.3-171.43.700111.7P507P507-Q509 PolarHBondContact O-N 2.88Å
510L84.3Confident83.1Confident25 Ų2544.7 Ų44.713%0.13127%0.273CS..EExtended strand (participates in β ladder)trans-118.5119.3171178.262.3000109.4V512 L522 W524 I579 V594L510-V512 HydrophobicContact CD1-CG2 4.44Å; L510-V512 HydrophobicContact CD2-CG2 4.13Å; L510-V512 HydrophobicContact CG-CG2 3.89Å; L510-L522 HydrophobicContact CD1-CB 4.24Å; L510-L522 HydrophobicContact CD1-CD2 4.21Å; L510-W524 HydrophobicContact CD1-CB 4.39Å; L510-W524 HydrophobicContact CD1-CE3 4.36Å; L510-I579 HydrophobicContact CB-CG2 4.3Å; L510-I579 HydrophobicContact CD1-CB 4.48Å; L510-I579 HydrophobicContact CD1-CG2 4.01Å; L510-I579 HydrophobicContact CD2-CB 4.45Å; L510-I579 HydrophobicContact CD2-CG2 4.1Å; L510-I579 HydrophobicContact CG-CG2 4.36Å; L510-V594 HydrophobicContact CB-CG2 4.49Å; L510-V594 HydrophobicContact CD2-CG2 4.2Å; L510-V594 HydrophobicContact CG-CG2 4.48Å
511S82.7Confident83Confident72 Ų7245.6 Ų45.650%0.50327%0.27SS..EExtended strand (participates in β ladder)trans-100.7130.6173.2-62.20000109.8L522 V523S511-L522 CarbonylContact O-C 3.41Å; S511-L522 WeakPolarHBondContact O-CA 3.43Å; S511-V523 WeakPolarHBondContact CB-O 3.3Å; S511-V523 PolarHBondContact N-O 3.42Å; S511-V523 PolarHBondContact O-N 3.12Å
512V84.6Confident83.1Confident25 Ų2543.1 Ų43.115%0.15226%0.258CS..EExtended strand (participates in β ladder)trans-129.3137.5-178.8-171.50000109.4L510 I520 R521 L522 L577 V594 Q596L510-V512 HydrophobicContact CD1-CG2 4.44Å; L510-V512 HydrophobicContact CD2-CG2 4.13Å; L510-V512 HydrophobicContact CG-CG2 3.89Å; V512-I520 HydrophobicContact CG1-CG2 3.26Å; V512-R521 WeakPolarHBondContact CA-O 3.42Å; V512-L522 HydrophobicContact CG2-CG 4.43Å; V512-L577 HydrophobicContact CG1-CD1 4.21Å; V512-L577 HydrophobicContact CG1-CD2 4.13Å; V512-V594 HydrophobicContact CB-CG1 4.08Å; V512-V594 HydrophobicContact CG2-CB 4.05Å; V512-V594 HydrophobicContact CG2-CG1 3.82Å; V512-Q596 HydrophobicContact CG1-CB 3.74Å; V512-Q596 HydrophobicContact CG1-CG 4Å
513A79.3Confident83Confident51 Ų5144.2 Ų44.242%0.42127%0.266SS..EExtended strand (participates in β ladder)trans-148.4139.3174.200000111R521A513-R521 PolarHBondContact N-O 2.64Å; A513-R521 PolarHBondContact O-N 2.83Å
514S77.2Confident82.9Confident26 Ų2642.5 Ų42.518%0.18225%0.254CS..EExtended strand (participates in β ladder)trans-73.1130169.1179.70000110.1S516 D519 Q597 V599S514-S516 PolarHBondContact OG-O 3.16Å; S514-D519 WeakPolarHBondContact CA-O 3.4Å; S514-D519 PolarHBondContact OG-O 2.86Å; S514-Q597 WeakPolarHBondContact CB-O 3.38Å; S514-V599 PolarHBondContact OG-N 2.9Å
515T75.8Confident82.6Confident82 Ų8248.1 Ų48.150%0.50328%0.281SS..EExtended strand (participates in β ladder)trans-104.9-20.5-179.846.90000113D519 R521T515-D519 PolarHBondContact N-O 3.06Å; T515-D519 WeakPolarHBondContact OG1-CB 3.44Å; T515-R521 HydrophobicContact CG2-CB 3.71Å
516S79.2Confident82.6Confident26 Ų2651.1 Ų51.118%0.18230%0.299CS..EExtended strand (participates in β ladder)trans-153.2174.9174.186.40000109.7S514 T518 D519S514-S516 PolarHBondContact OG-O 3.16Å; S516-T518 PolarHBondContact O-N 3.42Å; S516-T518 VanDerWaalsContact O-N 3.11Å; S516-T518 PolarHBondContact OG-N 3.47Å; S516-T518 PolarHBondContact OG-OG1 3.21Å; S516-D519 WeakPolarHBondContact CB-OD2 3.39Å; S516-D519 PolarHBondContact N-O 3.34Å; S516-D519 PolarHBondContact O-N 3.3Å; S516-D519 WeakPolarHBondContact OG-CB 3.45Å; S516-D519 PolarHBondContact OG-N 3.49Å; S516-D519 VanDerWaalsContact OG-N 3.09Å; S516-D519 PolarHBondContact OG-OD2 3.22Å
517P78.8Confident82.6Confident43 Ų4350.1 Ų50.128%0.27929%0.288SS..THydrogen-bonded Turntrans-57.5-18.2170.9-25.436.4000114.9P571 T598 V599P517-P571 HydrophobicContact CB-CB 4.16Å; P517-P571 HydrophobicContact CB-CG 4.24Å; P517-P571 WeakPolarHBondContact O-CA 3.38Å; P517-T598 WeakPolarHBondContact O-CB 3.46Å; P517-V599 WeakPolarHBondContact CA-O 3.45Å; P517-V599 WeakPolarHBondContact CB-O 3.45Å; P517-V599 HydrophobicContact CG-CB 4.36Å
518T81.6Confident82.4Confident53 Ų5353.5 Ų53.533%0.32531%0.309SS..THydrogen-bonded Turntrans-117.9-3.2-178.958.20000114S516 R567 E568 L569 P571S516-T518 PolarHBondContact O-N 3.42Å; S516-T518 VanDerWaalsContact O-N 3.11Å; S516-T518 PolarHBondContact OG-N 3.47Å; S516-T518 PolarHBondContact OG-OG1 3.21Å; T518-R567 CarbonylContact O-C 3.57Å; T518-E568 PolarHBondContact O-N 2.88Å; T518-L569 WeakPolarHBondContact CA-O 3.14Å; T518-L569 WeakPolarHBondContact O-CA 3.09Å; T518-L569 WeakPolarHBondContact O-CB 3.33Å; T518-L569 WeakPolarHBondContact O-CG 3.26Å; T518-L569 PolarHBondContact O-N 2.9Å; T518-P571 HydrophobicContact CG2-CG 4.32Å
519D84.8Confident82.2Confident38 Ų3854 Ų5420%0.20331%0.314CS..EExtended strand (participates in β ladder)trans-129.6139.9-168.2-44.3-39.5000112.6S514 T515 S516 T565 L566 R567S514-D519 WeakPolarHBondContact CA-O 3.4Å; S514-D519 PolarHBondContact OG-O 2.86Å; T515-D519 PolarHBondContact N-O 3.06Å; T515-D519 WeakPolarHBondContact OG1-CB 3.44Å; S516-D519 WeakPolarHBondContact CB-OD2 3.39Å; S516-D519 PolarHBondContact N-O 3.34Å; S516-D519 PolarHBondContact O-N 3.3Å; S516-D519 WeakPolarHBondContact OG-CB 3.45Å; S516-D519 PolarHBondContact OG-N 3.49Å; S516-D519 VanDerWaalsContact OG-N 3.09Å; S516-D519 PolarHBondContact OG-OD2 3.22Å; D519-T565 HydrophobicContact CB-CG2 4.16Å; D519-L566 VanDerWaalsContact CA-O 3.25Å; D519-L566 WeakPolarHBondContact CA-O 3.39Å; D519-R567 WeakPolarHBondContact OD1-CA 3.45Å
520I86.4Confident81.9Confident0 Ų054.7 Ų54.70%032%0.318CS..EExtended strand (participates in β ladder)trans-127.4123.9173.9-68.3175.1000108.8V512 L522 T565 L566 L569 Y575 L577 Q596 T598V512-I520 HydrophobicContact CG1-CG2 3.26Å; I520-L522 HydrophobicContact CG2-CD1 4.47Å; I520-T565 CarbonylContact O-C 3.52Å; I520-T565 WeakPolarHBondContact O-CA 3.48Å; I520-L566 PolarHBondContact N-O 2.8Å; I520-L566 PolarHBondContact O-N 2.89Å; I520-L569 HydrophobicContact CB-CD1 3.86Å; I520-L569 HydrophobicContact CD1-CD1 3.63Å; I520-L569 HydrophobicContact CG1-CD1 3.64Å; I520-Y575 HydrophobicContact CD1-CD2 4.13Å; I520-Y575 HydrophobicContact CD1-CG 4.42Å; I520-L577 HydrophobicContact CD1-CD1 4.46Å; I520-L577 HydrophobicContact CG2-CD2 3.79Å; I520-Q596 HydrophobicContact CD1-CB 4.11Å; I520-Q596 HydrophobicContact CD1-CG 3.84Å; I520-Q596 HydrophobicContact CG1-CG 4.1Å; I520-Q596 HydrophobicContact CG2-CG 4.21Å; I520-T598 HydrophobicContact CD1-CG2 3.92Å; I520-T598 HydrophobicContact CG1-CG2 4.04Å
521R87.8Confident81.7Confident107 Ų10756.8 Ų56.840%0.40433%0.327SS..EExtended strand (participates in β ladder)trans-96.2132.5174.4-174.1176.6175.1-146.61.9110.5V512 A513 T515 V523 F564V512-R521 WeakPolarHBondContact CA-O 3.42Å; A513-R521 PolarHBondContact N-O 2.64Å; A513-R521 PolarHBondContact O-N 2.83Å; T515-R521 HydrophobicContact CG2-CB 3.71Å; R521-V523 HydrophobicContact CG-CG2 4.31Å; R521-F564 WeakPolarHBondContact CA-O 3.47Å
522L91.1Very high81.6Confident0 Ų054 Ų540%031%0.307CS..EExtended strand (participates in β ladder)trans-108.1140.5173.4-59.687.7000108.7L510 S511 V512 I520 W524 V541 Q563 F564 L566 L577L510-L522 HydrophobicContact CD1-CB 4.24Å; L510-L522 HydrophobicContact CD1-CD2 4.21Å; S511-L522 CarbonylContact O-C 3.41Å; S511-L522 WeakPolarHBondContact O-CA 3.43Å; V512-L522 HydrophobicContact CG2-CG 4.43Å; I520-L522 HydrophobicContact CG2-CD1 4.47Å; L522-W524 HydrophobicContact CB-CE3 4.29Å; L522-W524 HydrophobicContact CB-CZ3 4.02Å; L522-V541 HydrophobicContact CD1-CG1 4.48Å; L522-V541 HydrophobicContact CD2-CG1 3.52Å; L522-V541 HydrophobicContact CD2-CG2 4.24Å; L522-Q563 VanDerWaalsContact O-CA 3.28Å; L522-Q563 WeakPolarHBondContact O-CA 3.42Å; L522-F564 HydrophobicContact CD1-CD1 4.38Å; L522-F564 PolarHBondContact N-O 3.21Å; L522-F564 PolarHBondContact O-N 2.94Å; L522-L566 HydrophobicContact CD1-CD1 4.02Å; L522-L566 HydrophobicContact CD1-CG 4.09Å; L522-L577 HydrophobicContact CD1-CD2 3.85Å; L522-L577 HydrophobicContact CD2-CB 4.31Å; L522-L577 HydrophobicContact CD2-CD2 3.85Å; L522-L577 HydrophobicContact CG-CD2 3.97Å
523V85.4Confident81.6Confident54 Ų5456.5 Ų56.533%0.32731%0.314SS..EExtended strand (participates in β ladder)trans-139.8132174.1-1760000108.6S511 R521 T562 Q563S511-V523 WeakPolarHBondContact CB-O 3.3Å; S511-V523 PolarHBondContact N-O 3.42Å; S511-V523 PolarHBondContact O-N 3.12Å; R521-V523 HydrophobicContact CG-CG2 4.31Å; V523-T562 WeakPolarHBondContact CA-O 3.47Å; V523-Q563 HydrophobicContact CG2-CB 4.21Å
524W88Confident81.9Confident10 Ų1054.3 Ų54.34%0.03830%0.296CS..EExtended strand (participates in β ladder)trans-135.5172.2178.759.697.2000110.7L510 L522 Y539 L557 E561 T562 F564 I579L510-W524 HydrophobicContact CD1-CB 4.39Å; L510-W524 HydrophobicContact CD1-CE3 4.36Å; L522-W524 HydrophobicContact CB-CE3 4.29Å; L522-W524 HydrophobicContact CB-CZ3 4.02Å; W524-Y539 AromaticContact CD1-CE1 3.91Å; W524-Y539 AromaticContact CD1-CZ 3.96Å; W524-Y539 HydrophobicContact CZ2-CD2 4.29Å; W524-Y539 HydrophobicContact CZ2-CG 4.33Å; W524-Y539 AromaticContact NE1-CD1 3.82Å; W524-Y539 AromaticContact NE1-CD2 3.76Å; W524-Y539 AromaticContact NE1-CE1 3.62Å; W524-Y539 AromaticContact NE1-CE2 3.57Å; W524-Y539 AromaticContact NE1-CG 3.9Å; W524-Y539 AromaticContact NE1-CZ 3.52Å; W524-L557 HydrophobicContact CH2-CD1 3.6Å; W524-L557 HydrophobicContact CZ2-CD1 4.1Å; W524-E561 HydrophobicContact CZ2-CB 4.36Å; W524-E561 VanDerWaalsContact CZ2-O 3.29Å; W524-E561 WeakPolarHBondContact CZ2-O 3Å; W524-E561 PolarHBondContact NE1-O 3.34Å; W524-T562 PolarHBondContact N-O 3.45Å; W524-F564 HydrophobicContact CH2-CB 3.74Å; W524-F564 HydrophobicContact CZ3-CB 3.89Å; W524-I579 HydrophobicContact CB-CD1 4.49Å; W524-I579 HydrophobicContact CD2-CD1 3.27Å; W524-I579 HydrophobicContact CE3-CD1 3.6Å; W524-I579 HydrophobicContact CG-CD1 3.71Å; W524-I579 HydrophobicContact CH2-CD1 4.06Å; W524-I579 HydrophobicContact CZ2-CD1 3.77Å; W524-I579 HydrophobicContact CZ3-CD1 3.98Å
525Q84.6Confident82.4Confident121 Ų12155.4 Ų55.457%0.56531%0.306SS*.PPolyproline II helixtrans-102.2148.6173.4-66.1-176.2-25.100110.1
526P85.3Confident83Confident88 Ų8853.2 Ų53.257%0.57129%0.293SS*.PPolyproline II helixtrans-54.6144.1167.1-22.433.2000111T562P526-T562 HydrophobicContact CG-CG2 3.68Å
527L84.4Confident83.5Confident21 Ų2155.4 Ų55.411%0.1131%0.305CS..PPolyproline II helixtrans-69.6140.1175.7-76.970.9000109.8P504 P507 H531 V536 Y539 A581P504-L527 HydrophobicContact CB-CD2 3.87Å; P507-L527 HydrophobicContact CB-CD1 4.27Å; P507-L527 HydrophobicContact CG-CD1 4.23Å; L527-H531 HydrophobicContact CB-CB 4.1Å; L527-H531 HydrophobicContact CD2-CB 4.14Å; L527-H531 HydrophobicContact CG-CB 4.21Å; L527-V536 HydrophobicContact CB-CG2 4.47Å; L527-Y539 HydrophobicContact CD1-CE1 3.68Å; L527-Y539 WeakPolarHBondContact CD1-OH 3.31Å; L527-A581 HydrophobicContact CD1-CB 3.78Å; L527-A581 HydrophobicContact CD2-CB 3.73Å; L527-A581 HydrophobicContact CG-CB 4.45Å
528T80.9Confident84.2Confident78 Ų7856.4 Ų56.448%0.47930%0.303SS..PPolyproline II helixtrans-70.1162167.461.10000110.1Q530 H531 S532T528-Q530 VanDerWaalsContact C-N 3.26Å; T528-Q530 PolarHBondContact O-N 3.18Å; T528-H531 CarbonylContact O-C 3.58Å; T528-H531 WeakPolarHBondContact O-CA 3.44Å; T528-H531 PolarHBondContact O-N 3.38Å; T528-H531 PolarHBondContact OG1-CD2 2.9Å; T528-H531 VanDerWaalsContact OG1-CD2 3.24Å; T528-S532 PolarHBondContact O-N 2.8Å
529S69.3Low84.7Confident98 Ų9854 Ų5469%0.68529%0.289SS*.Hα-helixtrans-52.3-41.7178.648.50000113.4H531 S532 R533S529-H531 PolarHBondContact O-N 2.99Å; S529-S532 PolarHBondContact O-N 2.89Å; S529-S532 PolarHBondContact O-OG 3.24Å; S529-R533 PolarHBondContact O-N 2.91Å
530Q68.1Low85.1Confident131 Ų13154.7 Ų54.761%0.61229%0.288SS*.Hα-helixtrans-59.6-31.4175-66.9-177.6-11.900113.3T528T528-Q530 VanDerWaalsContact C-N 3.26Å; T528-Q530 PolarHBondContact O-N 3.18Å
531H79.5Confident85.5Confident69 Ų6954.7 Ų54.732%0.31929%0.288SS..Hα-helixtrans-94.8-30.4-178.8-73.7-55.2000113.6S505 L527 T528 S529S505-H531 PolarHBondContact N-O 3.04Å; S505-H531 WeakPolarHBondContact OG-CA 3.41Å; S505-H531 WeakPolarHBondContact OG-CB 3.37Å; S505-H531 PolarHBondContact OG-ND1 3.26Å; S505-H531 PolarHBondContact OG-O 3.09Å; L527-H531 HydrophobicContact CB-CB 4.1Å; L527-H531 HydrophobicContact CD2-CB 4.14Å; L527-H531 HydrophobicContact CG-CB 4.21Å; T528-H531 CarbonylContact O-C 3.58Å; T528-H531 WeakPolarHBondContact O-CA 3.44Å; T528-H531 PolarHBondContact O-N 3.38Å; T528-H531 PolarHBondContact OG1-CD2 2.9Å; T528-H531 VanDerWaalsContact OG1-CD2 3.24Å; S529-H531 PolarHBondContact O-N 2.99Å
532S81.8Confident85.7Confident13 Ų1349.7 Ų49.79%0.09127%0.269CS..Hα-helixtrans-72.9-34.3-177.270.70000112.9P504 T528 S529 G534 T583P504-S532 WeakPolarHBondContact CG-O 3.45Å; T528-S532 PolarHBondContact O-N 2.8Å; S529-S532 PolarHBondContact O-N 2.89Å; S529-S532 PolarHBondContact O-OG 3.24Å; S532-G534 VanDerWaalsContact CB-O 3.26Å; S532-G534 WeakPolarHBondContact CB-O 3.31Å; S532-G534 PolarHBondContact O-N 2.69Å; S532-G534 VanDerWaalsContact O-N 3.11Å; S532-G534 PolarHBondContact OG-O 2.99Å; S532-T583 WeakPolarHBondContact O-CG2 3.11Å
533R83.5Confident85.8Confident78 Ų7851.9 Ų51.929%0.29428%0.278SS..SBendtrans56.323.5178-59.8172.165149.61.9114P472 D502 V503 S529P472-R533 HydrophobicContact CB-CB 3.88Å; P472-R533 HydrophobicContact CB-CG 4.46Å; P472-R533 HydrophobicContact CG-CB 4.11Å; P472-R533 HydrophobicContact CG-CG 4.23Å; D502-R533 HydrophobicContact CB-CB 4.03Å; D502-R533 PolarHBondContact N-O 2.83Å; D502-R533 IonicContact OD2-CZ 3.56Å; D502-R533 IonicContact OD2-NE 3.3Å; D502-R533 IonicContact OD2-NH2 3.44Å; D502-R533 PolarHBondContact OD2-NH2 2.78Å; V503-R533 WeakPolarHBondContact O-CD 3.32Å; S529-R533 PolarHBondContact O-N 2.91Å
534G86.4Confident86Confident4 Ų449.3 Ų49.34%0.04126%0.262CS..SBendtrans155.6-178.9-169.400000110.7S532 V536S532-G534 VanDerWaalsContact CB-O 3.26Å; S532-G534 WeakPolarHBondContact CB-O 3.31Å; S532-G534 PolarHBondContact O-N 2.69Å; S532-G534 VanDerWaalsContact O-N 3.11Å; S532-G534 PolarHBondContact OG-O 2.99Å; G534-V536 PolarHBondContact O-N 2.86Å
535A86.9Confident85.9Confident49 Ų4949.3 Ų49.341%0.40527%0.265SS..  trans-76.6118173.400000111.1E501 T537 T583E501-A535 WeakPolarHBondContact OE1-CB 3.4Å; E501-A535 PolarHBondContact OE1-N 3.11Å; A535-T537 PolarHBondContact O-N 3.31Å; A535-T537 VanDerWaalsContact O-N 3.11Å; A535-T583 WeakPolarHBondContact O-CA 3.4Å
536V89.3Confident85.9Confident37 Ų3745.9 Ų45.922%0.22425%0.25CC..  trans-71.7108.4178.4-173.30000110L527 G534 Y539 A581L527-V536 HydrophobicContact CB-CG2 4.47Å; G534-V536 PolarHBondContact O-N 2.86Å; V536-Y539 HydrophobicContact CG1-CE1 4.44Å; V536-Y539 HydrophobicContact CG1-CE2 4.03Å; V536-A581 HydrophobicContact CG1-CB 4.24Å
537T90.3Very high85.5Confident71 Ų7146 Ų4644%0.43625%0.246SC..  trans-96.7-25.9-178.254.20000113A535 G559 G582A535-T537 PolarHBondContact O-N 3.31Å; A535-T537 VanDerWaalsContact O-N 3.11Å; T537-G559 WeakPolarHBondContact O-CA 3.37Å; T537-G559 PolarHBondContact O-N 3.06Å; T537-G582 PolarHBondContact N-O 2.79Å; T537-G582 PolarHBondContact OG1-O 3.14Å
538R92.2Very high85.2Confident64 Ų6449 Ų4924%0.24226%0.259CS..EExtended strand (participates in β ladder)trans-154.6162.2-175.357.5-173.3-174.1-69.50.9113.3L557 G582 T583 F587R538-L557 CarbonylContact C-O 3.56Å; R538-L557 WeakPolarHBondContact CA-O 3.33Å; R538-L557 VanDerWaalsContact CB-O 3.32Å; R538-L557 WeakPolarHBondContact CB-O 3.37Å; R538-G582 PolarHBondContact N-O 3.5Å; R538-G582 PolarHBondContact O-N 3.47Å; R538-T583 PolarHBondContact NH1-O 2.9Å; R538-T583 PolarHBondContact NH2-O 2.99Å; R538-F587 HydrophobicContact CB-CE1 4.33Å; R538-F587 HydrophobicContact CB-CZ 4.38Å; R538-F587 HydrophobicContact CG-CD1 4.5Å; R538-F587 HydrophobicContact CG-CE1 3.6Å; R538-F587 HydrophobicContact CG-CZ 3.64Å; R538-F587 VanDerWaalsContact NE-CE2 3.35Å; R538-F587 VanDerWaalsContact NE-CZ 3.3Å
539Y93.3Very high84.5Confident3 Ų350.5 Ų50.51%0.01226%0.259CS..EExtended strand (participates in β ladder)trans-124156.5168.3-72.7-82.7000110.3W524 L527 V536 E556 L557 G559 E561 I579 A580 A581W524-Y539 AromaticContact CD1-CE1 3.91Å; W524-Y539 AromaticContact CD1-CZ 3.96Å; W524-Y539 HydrophobicContact CZ2-CD2 4.29Å; W524-Y539 HydrophobicContact CZ2-CG 4.33Å; W524-Y539 AromaticContact NE1-CD1 3.82Å; W524-Y539 AromaticContact NE1-CD2 3.76Å; W524-Y539 AromaticContact NE1-CE1 3.62Å; W524-Y539 AromaticContact NE1-CE2 3.57Å; W524-Y539 AromaticContact NE1-CG 3.9Å; W524-Y539 AromaticContact NE1-CZ 3.52Å; L527-Y539 HydrophobicContact CD1-CE1 3.68Å; L527-Y539 WeakPolarHBondContact CD1-OH 3.31Å; V536-Y539 HydrophobicContact CG1-CE1 4.44Å; V536-Y539 HydrophobicContact CG1-CE2 4.03Å; Y539-E556 CarbonylContact O-C 3.57Å; Y539-E556 WeakPolarHBondContact O-CA 3.18Å; Y539-L557 PolarHBondContact N-O 2.8Å; Y539-L557 PolarHBondContact O-N 2.81Å; Y539-G559 WeakPolarHBondContact CE2-O 3.36Å; Y539-E561 WeakPolarHBondContact CE2-O 3.45Å; Y539-I579 HydrophobicContact CD1-CD1 3.8Å; Y539-I579 HydrophobicContact CD1-CG1 4.1Å; Y539-I579 HydrophobicContact CG-CD1 4.23Å; Y539-A580 CarbonylContact C-O 3.57Å; Y539-A580 VanDerWaalsContact CA-O 3.31Å; Y539-A580 WeakPolarHBondContact CA-O 3.46Å; Y539-A581 HydrophobicContact CD1-CB 3.85Å; Y539-A581 HydrophobicContact CE1-CB 3.62Å
540R93.5Very high84.7Confident53 Ų5353.8 Ų53.820%0.227%0.269CS..EExtended strand (participates in β ladder)trans-129.9123.6171.6-167.6-178.179.6-139.1-3.7110.3D542 V555 E556 I579 A580 F587R540-D542 IonicContact CZ-OD1 3.34Å; R540-D542 IonicContact CZ-OD2 3.57Å; R540-D542 IonicContact NE-OD1 2.85Å; R540-D542 PolarHBondContact NE-OD1 3.05Å; R540-D542 IonicContact NE-OD2 2.67Å; R540-D542 IonicContact NH2-OD1 2.73Å; R540-D542 IonicContact NH2-OD2 2.84Å; R540-D542 PolarHBondContact NH2-OD2 2.87Å; R540-D542 VanDerWaalsContact NH2-OD2 3.09Å; R540-V555 CarbonylContact C-O 3.49Å; R540-V555 VanDerWaalsContact CA-O 3.31Å; R540-V555 WeakPolarHBondContact CA-O 3.35Å; R540-E556 HydrophobicContact CB-CG 4.33Å; R540-E556 HydrophobicContact CG-CG 3.99Å; R540-I579 CarbonylContact O-C 3.56Å; R540-I579 WeakPolarHBondContact O-CA 3.42Å; R540-A580 PolarHBondContact N-O 2.97Å; R540-A580 PolarHBondContact O-N 2.91Å; R540-F587 HydrophobicContact CB-CD1 3.95Å; R540-F587 HydrophobicContact CB-CE1 3.59Å; R540-F587 HydrophobicContact CB-CZ 3.89Å
541V93.8Very high85.4Confident0 Ų050.5 Ų50.50%026%0.258CS..EExtended strand (participates in β ladder)trans-98116173.5175.20000108.4L522 S554 V555 L557 F564 R578 I579L522-V541 HydrophobicContact CD1-CG1 4.48Å; L522-V541 HydrophobicContact CD2-CG1 3.52Å; L522-V541 HydrophobicContact CD2-CG2 4.24Å; V541-S554 CarbonylContact O-C 3.19Å; V541-S554 WeakPolarHBondContact O-CA 3.42Å; V541-V555 PolarHBondContact N-O 3.38Å; V541-V555 PolarHBondContact O-N 2.87Å; V541-L557 HydrophobicContact CG2-CD1 3.87Å; V541-F564 HydrophobicContact CG2-CD1 4.33Å; V541-R578 WeakPolarHBondContact CA-O 3.5Å; V541-I579 HydrophobicContact CG2-CD1 4.32Å; V541-I579 HydrophobicContact CG2-CG1 4.32Å
542D92.4Very high85.7Confident1 Ų150.1 Ų50.11%0.00526%0.26CS..EExtended strand (participates in β ladder)trans-97.8130.9173.5-60.1-22.2000109.1R540 V552 F553 S554 L577 R578 W593R540-D542 IonicContact CZ-OD1 3.34Å; R540-D542 IonicContact CZ-OD2 3.57Å; R540-D542 IonicContact NE-OD1 2.85Å; R540-D542 PolarHBondContact NE-OD1 3.05Å; R540-D542 IonicContact NE-OD2 2.67Å; R540-D542 IonicContact NH2-OD1 2.73Å; R540-D542 IonicContact NH2-OD2 2.84Å; R540-D542 PolarHBondContact NH2-OD2 2.87Å; R540-D542 VanDerWaalsContact NH2-OD2 3.09Å; D542-V552 HydrophobicContact CB-CG1 3.88Å; D542-F553 CarbonylContact C-O 3.57Å; D542-F553 WeakPolarHBondContact CA-O 3.4Å; D542-S554 WeakPolarHBondContact OD1-CB 3.47Å; D542-S554 PolarHBondContact OD1-OG 3.5Å; D542-L577 CarbonylContact O-C 3.54Å; D542-L577 WeakPolarHBondContact O-CA 3.12Å; D542-R578 HydrophobicContact CB-CG 3.75Å; D542-R578 PolarHBondContact N-O 2.87Å; D542-R578 PolarHBondContact O-N 2.78Å; D542-R578 IonicContact OD2-CZ 3.18Å; D542-R578 VanDerWaalsContact OD2-CZ 3.25Å; D542-R578 IonicContact OD2-NE 3.46Å; D542-R578 PolarHBondContact OD2-NE 2.86Å; D542-R578 IonicContact OD2-NH2 3.43Å; D542-R578 PolarHBondContact OD2-NH2 3.03Å; D542-W593 HydrophobicContact CB-CH2 4.21Å
543Y92.4Very high86.1Confident46 Ų4654.3 Ų54.318%0.1828%0.277CS..EExtended strand (participates in β ladder)trans-138.3151.7177.473.2-79.7000113.2F553 V555 L566 L569 Y575 R576Y543-F553 HydrophobicContact CD1-CB 3.87Å; Y543-F553 HydrophobicContact CD2-CB 4.39Å; Y543-F553 HydrophobicContact CD2-CD2 4.42Å; Y543-F553 HydrophobicContact CE1-CB 3.37Å; Y543-F553 HydrophobicContact CE1-CG 4.38Å; Y543-F553 HydrophobicContact CE2-CB 3.96Å; Y543-F553 AromaticContact CE2-CD2 3.95Å; Y543-F553 HydrophobicContact CE2-CD2 3.95Å; Y543-F553 HydrophobicContact CE2-CG 4.19Å; Y543-F553 HydrophobicContact CG-CB 4.36Å; Y543-F553 VanDerWaalsContact CZ-CB 3.42Å; Y543-F553 AromaticContact CZ-CG 3.94Å; Y543-F553 PolarHBondContact N-O 3.24Å; Y543-F553 PolarHBondContact O-N 3.24Å; Y543-V555 HydrophobicContact CE1-CG2 4.04Å; Y543-L566 HydrophobicContact CD1-CD1 3.92Å; Y543-L566 HydrophobicContact CD1-CD2 3.65Å; Y543-L566 HydrophobicContact CD1-CG 4.47Å; Y543-L566 HydrophobicContact CD2-CD1 4.14Å; Y543-L566 HydrophobicContact CE1-CD2 3.51Å; Y543-L566 HydrophobicContact CE2-CD2 4.4Å; Y543-L566 HydrophobicContact CG-CD1 3.69Å; Y543-L566 HydrophobicContact CG-CD2 4.16Å; Y543-L569 HydrophobicContact CD2-CD2 4.44Å; Y543-L569 HydrophobicContact CE2-CD2 4.13Å; Y543-Y575 HydrophobicContact CD2-CD1 4.33Å; Y543-R576 CarbonylContact C-O 3.54Å; Y543-R576 VanDerWaalsContact CA-O 3.28Å; Y543-R576 WeakPolarHBondContact CA-O 3.36Å
544S90Very high86.5Confident0 Ų053.9 Ų53.90%029%0.286CS..EExtended strand (participates in β ladder)trans-156.1142.3-175.7168.40000109.7Q548 K549 T551 Y575 R576S544-Q548 PolarHBondContact OG-O 3.36Å; S544-K549 PolarHBondContact OG-O 3.48Å; S544-T551 WeakPolarHBondContact CB-O 3.22Å; S544-T551 PolarHBondContact OG-O 3.32Å; S544-Y575 CarbonylContact O-C 3.58Å; S544-Y575 WeakPolarHBondContact O-CA 3.5Å; S544-R576 PolarHBondContact N-O 3.49Å; S544-R576 WeakPolarHBondContact O-CG 3.45Å; S544-R576 PolarHBondContact O-N 3.1Å; S544-R576 PolarHBondContact OG-NE 2.83Å
545A86.6Confident86.9Confident10 Ų1055.6 Ų55.68%0.08330%0.296CS..EExtended strand (participates in β ladder)trans-77.8140.117400000109.6D547 Q548 K549 Q573 Y575A545-D547 WeakPolarHBondContact CB-OD1 3.49Å; A545-D547 PolarHBondContact O-N 3.44Å; A545-Q548 HydrophobicContact CB-CB 4.42Å; A545-Q548 CarbonylContact O-C 3.51Å; A545-Q548 WeakPolarHBondContact O-CA 3.35Å; A545-Q548 PolarHBondContact O-N 2.81Å; A545-K549 PolarHBondContact O-N 3.42Å; A545-Q573 HydrophobicContact CB-CG 4.31Å; A545-Y575 HydrophobicContact CB-CD1 4.04Å; A545-Y575 HydrophobicContact CB-CE1 3.77Å
546L83.4Confident87.2Confident49 Ų4959 Ų5926%0.25730%0.303SS..THydrogen-bonded Turntrans-70.4-18.8-169.4-165.668.9000113.6K549 V574L546-K549 WeakPolarHBondContact O-CE 3.29Å; L546-K549 VanDerWaalsContact O-CG 3.27Å; L546-K549 WeakPolarHBondContact O-CG 3.34Å; L546-V574 HydrophobicContact CB-CB 4.02Å; L546-V574 HydrophobicContact CB-CG1 4.16Å; L546-V574 WeakPolarHBondContact CB-O 3.33Å; L546-V574 HydrophobicContact CD2-CB 4.1Å; L546-V574 HydrophobicContact CD2-CG1 3.8Å; L546-V574 PolarHBondContact N-O 3.17Å
547D77.1Confident87.3Confident90 Ų9058 Ų5848%0.48130%0.297SS..THydrogen-bonded Turntrans-81.8-21169.661-35.7000113.3A545 Q573A545-D547 WeakPolarHBondContact CB-OD1 3.49Å; A545-D547 PolarHBondContact O-N 3.44Å; D547-Q573 PolarHBondContact OD1-NE2 2.94Å; D547-Q573 PolarHBondContact OD2-NE2 3.34Å
548Q77.6Confident87.4Confident86 Ų8663.5 Ų63.540%0.40231%0.309SS..SBendtrans-122.652.2-177.9-60.3-172.6-13.600110.6S544 A545 D550 T551S544-Q548 PolarHBondContact OG-O 3.36Å; A545-Q548 HydrophobicContact CB-CB 4.42Å; A545-Q548 CarbonylContact O-C 3.51Å; A545-Q548 WeakPolarHBondContact O-CA 3.35Å; A545-Q548 PolarHBondContact O-N 2.81Å; Q548-D550 PolarHBondContact O-N 3.33Å; Q548-D550 VanDerWaalsContact O-N 3.14Å; Q548-T551 PolarHBondContact O-N 2.88Å
549K66.2Low87Confident108 Ų10861.3 Ų61.347%0.4731%0.307SS..THydrogen-bonded Turntrans-56.5-34.1-171.3-64.5-179-175.3169.50113.1S544 A545 L546 T551 R576S544-K549 PolarHBondContact OG-O 3.48Å; A545-K549 PolarHBondContact O-N 3.42Å; L546-K549 WeakPolarHBondContact O-CE 3.29Å; L546-K549 VanDerWaalsContact O-CG 3.27Å; L546-K549 WeakPolarHBondContact O-CG 3.34Å; K549-T551 PolarHBondContact O-N 2.88Å; K549-R576 PolarHBondContact O-NH2 2.93Å
550D74.3Confident86.8Confident167 Ų16767.5 Ų67.589%0.89334%0.34SS*.THydrogen-bonded Turntrans-72-16.6-176.2-54.6-38.9000113Q548Q548-D550 PolarHBondContact O-N 3.33Å; Q548-D550 VanDerWaalsContact O-N 3.14Å
551T82.9Confident86.5Confident63 Ų6367.8 Ų67.839%0.38734%0.344SS..  trans-97112.1174.1-47.60000110.1S544 Q548 K549 F553S544-T551 WeakPolarHBondContact CB-O 3.22Å; S544-T551 PolarHBondContact OG-O 3.32Å; Q548-T551 PolarHBondContact O-N 2.88Å; K549-T551 PolarHBondContact O-N 2.88Å; T551-F553 HydrophobicContact CG2-CD2 4.34Å; T551-F553 HydrophobicContact CG2-CE1 4.17Å; T551-F553 HydrophobicContact CG2-CE2 3.63Å; T551-F553 HydrophobicContact CG2-CZ 3.53Å
552V86.8Confident86.2Confident60 Ų6070.4 Ų70.436%0.36436%0.36SS..  trans-113.8124.7172.6-179.60000109D542 W593D542-V552 HydrophobicContact CB-CG1 3.88Å; V552-W593 HydrophobicContact CG1-CH2 4.09Å; V552-W593 HydrophobicContact CG2-CH2 4.24Å; V552-W593 HydrophobicContact CG2-CZ2 4.5Å
553F89.6Confident86Confident102 Ų10275.1 Ų75.145%0.44738%0.382SS..EExtended strand (participates in β ladder)trans-98.3144.8172.7-59.3-83.1000109.2D542 Y543 T551D542-F553 CarbonylContact C-O 3.57Å; D542-F553 WeakPolarHBondContact CA-O 3.4Å; Y543-F553 HydrophobicContact CD1-CB 3.87Å; Y543-F553 HydrophobicContact CD2-CB 4.39Å; Y543-F553 HydrophobicContact CD2-CD2 4.42Å; Y543-F553 HydrophobicContact CE1-CB 3.37Å; Y543-F553 HydrophobicContact CE1-CG 4.38Å; Y543-F553 HydrophobicContact CE2-CB 3.96Å; Y543-F553 AromaticContact CE2-CD2 3.95Å; Y543-F553 HydrophobicContact CE2-CD2 3.95Å; Y543-F553 HydrophobicContact CE2-CG 4.19Å; Y543-F553 HydrophobicContact CG-CB 4.36Å; Y543-F553 VanDerWaalsContact CZ-CB 3.42Å; Y543-F553 AromaticContact CZ-CG 3.94Å; Y543-F553 PolarHBondContact N-O 3.24Å; Y543-F553 PolarHBondContact O-N 3.24Å; T551-F553 HydrophobicContact CG2-CD2 4.34Å; T551-F553 HydrophobicContact CG2-CE1 4.17Å; T551-F553 HydrophobicContact CG2-CE2 3.63Å; T551-F553 HydrophobicContact CG2-CZ 3.53Å
554S92.3Very high85.9Confident68 Ų6875.2 Ų75.248%0.47638%0.383SS..EExtended strand (participates in β ladder)trans-127.5138.4179.6-64.60000110.8V541 D542V541-S554 CarbonylContact O-C 3.19Å; V541-S554 WeakPolarHBondContact O-CA 3.42Å; D542-S554 WeakPolarHBondContact OD1-CB 3.47Å; D542-S554 PolarHBondContact OD1-OG 3.5Å
555V93.3Very high85.9Confident41 Ų4177.4 Ų77.425%0.24840%0.397CS..EExtended strand (participates in β ladder)trans-122.4127.1173.2-1740000109.1R540 V541 Y543 L557 F564 L566R540-V555 CarbonylContact C-O 3.49Å; R540-V555 VanDerWaalsContact CA-O 3.31Å; R540-V555 WeakPolarHBondContact CA-O 3.35Å; V541-V555 PolarHBondContact N-O 3.38Å; V541-V555 PolarHBondContact O-N 2.87Å; Y543-V555 HydrophobicContact CE1-CG2 4.04Å; V555-L557 HydrophobicContact CG1-CD2 4.01Å; V555-F564 HydrophobicContact CB-CE1 4.25Å; V555-F564 HydrophobicContact CB-CZ 4.33Å; V555-F564 HydrophobicContact CG1-CE1 4.15Å; V555-F564 HydrophobicContact CG1-CE2 4.37Å; V555-F564 HydrophobicContact CG1-CZ 3.76Å; V555-F564 HydrophobicContact CG2-CE1 4.3Å; V555-F564 HydrophobicContact CG2-CZ 4.4Å; V555-L566 HydrophobicContact CG2-CD2 4.36Å
556E93.3Very high86.1Confident119 Ų11977.2 Ų77.256%0.55639%0.394SS*.EExtended strand (participates in β ladder)trans-95.2141.5175.2-65.5-168.5-164.600111.8Y539 R540 F587Y539-E556 CarbonylContact O-C 3.57Å; Y539-E556 WeakPolarHBondContact O-CA 3.18Å; R540-E556 HydrophobicContact CB-CG 4.33Å; R540-E556 HydrophobicContact CG-CG 3.99Å; E556-F587 VanDerWaalsContact CD-CE2 3.46Å; E556-F587 VanDerWaalsContact CD-CZ 3.43Å; E556-F587 HydrophobicContact CG-CE2 4.25Å; E556-F587 HydrophobicContact CG-CZ 3.83Å; E556-F587 VanDerWaalsContact OE1-CE2 3.25Å; E556-F587 WeakPolarHBondContact OE1-CE2 3.45Å; E556-F587 WeakPolarHBondContact OE2-CZ 3.31Å
557L92.8Very high86.3Confident18 Ų1883.4 Ų83.49%0.09441%0.414CS..EExtended strand (participates in β ladder)trans-136.4159.1-170.1-55.8176.6000109.9W524 R538 Y539 V541 V555 F564W524-L557 HydrophobicContact CH2-CD1 3.6Å; W524-L557 HydrophobicContact CZ2-CD1 4.1Å; R538-L557 CarbonylContact C-O 3.56Å; R538-L557 WeakPolarHBondContact CA-O 3.33Å; R538-L557 VanDerWaalsContact CB-O 3.32Å; R538-L557 WeakPolarHBondContact CB-O 3.37Å; Y539-L557 PolarHBondContact N-O 2.8Å; Y539-L557 PolarHBondContact O-N 2.81Å; V541-L557 HydrophobicContact CG2-CD1 3.87Å; V555-L557 HydrophobicContact CG1-CD2 4.01Å; L557-F564 HydrophobicContact CD1-CB 3.67Å; L557-F564 HydrophobicContact CD1-CD1 4.27Å; L557-F564 HydrophobicContact CD1-CD2 4.06Å; L557-F564 HydrophobicContact CD1-CG 3.75Å; L557-F564 HydrophobicContact CD2-CD2 3.56Å; L557-F564 HydrophobicContact CD2-CE2 3.73Å; L557-F564 HydrophobicContact CD2-CG 4.08Å; L557-F564 HydrophobicContact CD2-CZ 4.36Å; L557-F564 HydrophobicContact CG-CD2 4.48Å
558R91.6Very high86.7Confident185 Ų18588 Ų8870%0.69843%0.433SS*.EExtended strand (participates in β ladder)trans-74.7149.4179.3-64.2175.2173.5159.3-1.6111.7N560 E561R558-N560 VanDerWaalsContact CB-OD1 3.24Å; R558-N560 WeakPolarHBondContact CB-OD1 3.31Å; R558-N560 PolarHBondContact O-N 2.9Å; R558-N560 VanDerWaalsContact O-N 3.09Å; R558-E561 HydrophobicContact CB-CG 4.28Å; R558-E561 WeakPolarHBondContact CB-OE1 3.34Å; R558-E561 PolarHBondContact N-OE1 3.32Å; R558-E561 WeakPolarHBondContact O-CB 3.37Å; R558-E561 PolarHBondContact O-N 2.9Å
559G85Confident87.2Confident19 Ų1984.2 Ų84.220%0.19642%0.415CS..THydrogen-bonded Turntrans-64.9-12.8-175.600000115.6T537 Y539T537-G559 WeakPolarHBondContact O-CA 3.37Å; T537-G559 PolarHBondContact O-N 3.06Å; Y539-G559 WeakPolarHBondContact CE2-O 3.36Å
560N87.6Confident88.1Confident133 Ų13385.9 Ų85.971%0.71142%0.419SS*.THydrogen-bonded Turntrans-89.8-3.4172.665.4-23.8000113.7R558R558-N560 VanDerWaalsContact CB-OD1 3.24Å; R558-N560 WeakPolarHBondContact CB-OD1 3.31Å; R558-N560 PolarHBondContact O-N 2.9Å; R558-N560 VanDerWaalsContact O-N 3.09Å
561E87.4Confident88.5Confident59 Ų5980.5 Ų80.528%0.27639%0.393SS..  trans-82.9137.1177.4-63.7176.3-137.600111.3W524 Y539 R558W524-E561 HydrophobicContact CZ2-CB 4.36Å; W524-E561 VanDerWaalsContact CZ2-O 3.29Å; W524-E561 WeakPolarHBondContact CZ2-O 3Å; W524-E561 PolarHBondContact NE1-O 3.34Å; Y539-E561 WeakPolarHBondContact CE2-O 3.45Å; R558-E561 HydrophobicContact CB-CG 4.28Å; R558-E561 WeakPolarHBondContact CB-OE1 3.34Å; R558-E561 PolarHBondContact N-OE1 3.32Å; R558-E561 WeakPolarHBondContact O-CB 3.37Å; R558-E561 PolarHBondContact O-N 2.9Å
562T87.2Confident88.5Confident54 Ų5481.4 Ų81.433%0.33140%0.396SS..  trans-124.73.3179.7520000113.1V523 W524 P526V523-T562 WeakPolarHBondContact CA-O 3.47Å; W524-T562 PolarHBondContact N-O 3.45Å; P526-T562 HydrophobicContact CG-CG2 3.68Å
563Q88.4Confident88.4Confident101 Ų10180.7 Ų80.747%0.47239%0.388SS..EExtended strand (participates in β ladder)trans-153.3146.4-178.958.9175.57.100110.4L522 V523L522-Q563 VanDerWaalsContact O-CA 3.28Å; L522-Q563 WeakPolarHBondContact O-CA 3.42Å; V523-Q563 HydrophobicContact CG2-CB 4.21Å
564F90.6Very high88.2Confident48 Ų4877.6 Ų77.621%0.21138%0.377CS..EExtended strand (participates in β ladder)trans-151.3150.9176.5179.5-113.7000110.5R521 L522 W524 V541 V555 L557 L566R521-F564 WeakPolarHBondContact CA-O 3.47Å; L522-F564 HydrophobicContact CD1-CD1 4.38Å; L522-F564 PolarHBondContact N-O 3.21Å; L522-F564 PolarHBondContact O-N 2.94Å; W524-F564 HydrophobicContact CH2-CB 3.74Å; W524-F564 HydrophobicContact CZ3-CB 3.89Å; V541-F564 HydrophobicContact CG2-CD1 4.33Å; V555-F564 HydrophobicContact CB-CE1 4.25Å; V555-F564 HydrophobicContact CB-CZ 4.33Å; V555-F564 HydrophobicContact CG1-CE1 4.15Å; V555-F564 HydrophobicContact CG1-CE2 4.37Å; V555-F564 HydrophobicContact CG1-CZ 3.76Å; V555-F564 HydrophobicContact CG2-CE1 4.3Å; V555-F564 HydrophobicContact CG2-CZ 4.4Å; L557-F564 HydrophobicContact CD1-CB 3.67Å; L557-F564 HydrophobicContact CD1-CD1 4.27Å; L557-F564 HydrophobicContact CD1-CD2 4.06Å; L557-F564 HydrophobicContact CD1-CG 3.75Å; L557-F564 HydrophobicContact CD2-CD2 3.56Å; L557-F564 HydrophobicContact CD2-CE2 3.73Å; L557-F564 HydrophobicContact CD2-CG 4.08Å; L557-F564 HydrophobicContact CD2-CZ 4.36Å; L557-F564 HydrophobicContact CG-CD2 4.48Å; F564-L566 HydrophobicContact CD1-CG 4.35Å; F564-L566 HydrophobicContact CE1-CD2 3.67Å; F564-L566 HydrophobicContact CE1-CG 3.92Å; F564-L566 HydrophobicContact CZ-CD2 4.48Å
565T90.6Very high88.1Confident45 Ų4575.2 Ų75.228%0.27636%0.358SS..EExtended strand (participates in β ladder)trans-123.4110.8177.9-57.90000109.6D519 I520 R567D519-T565 HydrophobicContact CB-CG2 4.16Å; I520-T565 CarbonylContact O-C 3.52Å; I520-T565 WeakPolarHBondContact O-CA 3.48Å; T565-R567 HydrophobicContact CG2-CG 4.23Å
566L90.6Very high87.9Confident7 Ų775.7 Ų75.74%0.03736%0.355CS..EExtended strand (participates in β ladder)trans-68.9136.3164.7-72.4168.4000108.9D519 I520 L522 Y543 V555 F564 L569 L577D519-L566 VanDerWaalsContact CA-O 3.25Å; D519-L566 WeakPolarHBondContact CA-O 3.39Å; I520-L566 PolarHBondContact N-O 2.8Å; I520-L566 PolarHBondContact O-N 2.89Å; L522-L566 HydrophobicContact CD1-CD1 4.02Å; L522-L566 HydrophobicContact CD1-CG 4.09Å; Y543-L566 HydrophobicContact CD1-CD1 3.92Å; Y543-L566 HydrophobicContact CD1-CD2 3.65Å; Y543-L566 HydrophobicContact CD1-CG 4.47Å; Y543-L566 HydrophobicContact CD2-CD1 4.14Å; Y543-L566 HydrophobicContact CE1-CD2 3.51Å; Y543-L566 HydrophobicContact CE2-CD2 4.4Å; Y543-L566 HydrophobicContact CG-CD1 3.69Å; Y543-L566 HydrophobicContact CG-CD2 4.16Å; V555-L566 HydrophobicContact CG2-CD2 4.36Å; F564-L566 HydrophobicContact CD1-CG 4.35Å; F564-L566 HydrophobicContact CE1-CD2 3.67Å; F564-L566 HydrophobicContact CE1-CG 3.92Å; F564-L566 HydrophobicContact CZ-CD2 4.48Å; L566-L569 HydrophobicContact CB-CD1 4.07Å; L566-L569 HydrophobicContact CB-CD2 4.46Å; L566-L569 HydrophobicContact CB-CG 4.47Å; L566-L577 HydrophobicContact CD1-CD2 3.53Å; L566-L577 HydrophobicContact CD1-CG 4.48Å
567R87.4Confident87.8Confident178 Ų17870 Ų7067%0.67233%0.329SS*.  trans-125.5173.2-178.6-58.4-175.6-174.6-165.50.1110T518 D519 T565 L569T518-R567 CarbonylContact O-C 3.57Å; D519-R567 WeakPolarHBondContact OD1-CA 3.45Å; T565-R567 HydrophobicContact CG2-CG 4.23Å; R567-L569 PolarHBondContact O-N 2.99Å; R567-L569 VanDerWaalsContact O-N 3.15Å
568E86.1Confident87.8Confident186 Ų18671.9 Ų71.987%0.86934%0.335SS*.SBendtrans61.123174.1-56.9177.1-165.900114T518T518-E568 PolarHBondContact O-N 2.88Å
569L87.6Confident87.8Confident8 Ų863.1 Ų63.14%0.04230%0.302CS..PPolyproline II helixtrans-74.8156.9175.6-53.6177.7000111.1T518 I520 Y543 L566 R567 Y575 T598T518-L569 WeakPolarHBondContact CA-O 3.14Å; T518-L569 WeakPolarHBondContact O-CA 3.09Å; T518-L569 WeakPolarHBondContact O-CB 3.33Å; T518-L569 WeakPolarHBondContact O-CG 3.26Å; T518-L569 PolarHBondContact O-N 2.9Å; I520-L569 HydrophobicContact CB-CD1 3.86Å; I520-L569 HydrophobicContact CD1-CD1 3.63Å; I520-L569 HydrophobicContact CG1-CD1 3.64Å; Y543-L569 HydrophobicContact CD2-CD2 4.44Å; Y543-L569 HydrophobicContact CE2-CD2 4.13Å; L566-L569 HydrophobicContact CB-CD1 4.07Å; L566-L569 HydrophobicContact CB-CD2 4.46Å; L566-L569 HydrophobicContact CB-CG 4.47Å; R567-L569 PolarHBondContact O-N 2.99Å; R567-L569 VanDerWaalsContact O-N 3.15Å; L569-Y575 HydrophobicContact CB-CE2 3.72Å; L569-Y575 HydrophobicContact CD1-CD2 4.31Å; L569-Y575 HydrophobicContact CD1-CE2 4.29Å; L569-Y575 HydrophobicContact CD2-CD1 4.43Å; L569-Y575 HydrophobicContact CD2-CE1 3.93Å; L569-Y575 HydrophobicContact CD2-CE2 4.3Å; L569-Y575 HydrophobicContact CG-CE2 4.34Å; L569-T598 HydrophobicContact CB-CG2 4.01Å; L569-T598 HydrophobicContact CD1-CG2 4.19Å
570R84.1Confident88.2Confident142 Ų14262.2 Ų62.254%0.53629%0.292SS..PPolyproline II helixtrans-71.4132.6176.9-66.9-178.3179.9-179.7-0.4110.4Q573 Y575 T598R570-Q573 HydrophobicContact CB-CB 3.88Å; R570-Q573 HydrophobicContact CB-CG 4.42Å; R570-Q573 WeakPolarHBondContact O-CB 3.49Å; R570-Y575 PolarHBondContact N-OH 3.05Å; R570-T598 PolarHBondContact O-OG1 2.95Å
571P83.6Confident88.4Confident55 Ų5555.9 Ų55.936%0.35726%0.258SS..THydrogen-bonded Turntrans-61.3147.9171.3-24.434.9000113.2P517 T518 Q573 R601P517-P571 HydrophobicContact CB-CB 4.16Å; P517-P571 HydrophobicContact CB-CG 4.24Å; P517-P571 WeakPolarHBondContact O-CA 3.38Å; T518-P571 HydrophobicContact CG2-CG 4.32Å; P571-Q573 PolarHBondContact O-N 2.87Å; P571-Q573 VanDerWaalsContact O-N 3.17Å; P571-R601 HydrophobicContact CB-CB 4.33Å
572N82.8Confident88.5Confident82 Ų8253 Ų5344%0.43925%0.245SC..THydrogen-bonded Turntrans5816-177.5-165.934.1000115.6Q597 T598 V599 V600N572-Q597 PolarHBondContact OD1-NE2 3.14Å; N572-T598 WeakPolarHBondContact CA-O 3.27Å; N572-T598 PolarHBondContact N-OG1 2.86Å; N572-V599 PolarHBondContact N-O 2.87Å; N572-V600 HydrophobicContact CB-CG2 4.19Å; N572-V600 WeakPolarHBondContact OD1-CG2 3.46Å
573Q84.1Confident88.7Confident44 Ų4450.5 Ų50.521%0.20623%0.23CC..  trans-98.2140.2-178.2-166.359.42600111.3A545 D547 R570 P571 Y575 Q597 T598A545-Q573 HydrophobicContact CB-CG 4.31Å; D547-Q573 PolarHBondContact OD1-NE2 2.94Å; D547-Q573 PolarHBondContact OD2-NE2 3.34Å; R570-Q573 HydrophobicContact CB-CB 3.88Å; R570-Q573 HydrophobicContact CB-CG 4.42Å; R570-Q573 WeakPolarHBondContact O-CB 3.49Å; P571-Q573 PolarHBondContact O-N 2.87Å; P571-Q573 VanDerWaalsContact O-N 3.17Å; Q573-Y575 HydrophobicContact CB-CD2 4.37Å; Q573-Y575 HydrophobicContact CB-CE2 3.75Å; Q573-Y575 HydrophobicContact CG-CD2 4.48Å; Q573-Y575 HydrophobicContact CG-CE2 3.95Å; Q573-Q597 WeakPolarHBondContact O-CA 3.37Å; Q573-T598 PolarHBondContact N-OG1 2.83Å; Q573-T598 PolarHBondContact O-N 3.28Å; Q573-T598 PolarHBondContact O-OG1 2.89Å
574V86.4Confident88.7Confident37 Ų3749.4 Ų49.422%0.22424%0.238CC..EExtended strand (participates in β ladder)trans-86.9123.1172.8-172.50000109.3L546 Q595 Q597L546-V574 HydrophobicContact CB-CB 4.02Å; L546-V574 HydrophobicContact CB-CG1 4.16Å; L546-V574 WeakPolarHBondContact CB-O 3.33Å; L546-V574 HydrophobicContact CD2-CB 4.1Å; L546-V574 HydrophobicContact CD2-CG1 3.8Å; L546-V574 PolarHBondContact N-O 3.17Å; V574-Q595 HydrophobicContact CG1-CB 4.37Å; V574-Q597 HydrophobicContact CG2-CB 4.1Å; V574-Q597 HydrophobicContact CG2-CG 3.91Å
575Y89.3Confident88.6Confident19 Ų1951.2 Ų51.28%0.07525%0.253CS..EExtended strand (participates in β ladder)trans-107147.8171.9-71.5-91.3000110.3I520 Y543 S544 A545 L569 R570 Q573 Q595 Q596 T598I520-Y575 HydrophobicContact CD1-CD2 4.13Å; I520-Y575 HydrophobicContact CD1-CG 4.42Å; Y543-Y575 HydrophobicContact CD2-CD1 4.33Å; S544-Y575 CarbonylContact O-C 3.58Å; S544-Y575 WeakPolarHBondContact O-CA 3.5Å; A545-Y575 HydrophobicContact CB-CD1 4.04Å; A545-Y575 HydrophobicContact CB-CE1 3.77Å; L569-Y575 HydrophobicContact CB-CE2 3.72Å; L569-Y575 HydrophobicContact CD1-CD2 4.31Å; L569-Y575 HydrophobicContact CD1-CE2 4.29Å; L569-Y575 HydrophobicContact CD2-CD1 4.43Å; L569-Y575 HydrophobicContact CD2-CE1 3.93Å; L569-Y575 HydrophobicContact CD2-CE2 4.3Å; L569-Y575 HydrophobicContact CG-CE2 4.34Å; R570-Y575 PolarHBondContact N-OH 3.05Å; Q573-Y575 HydrophobicContact CB-CD2 4.37Å; Q573-Y575 HydrophobicContact CB-CE2 3.75Å; Q573-Y575 HydrophobicContact CG-CD2 4.48Å; Q573-Y575 HydrophobicContact CG-CE2 3.95Å; Y575-Q595 CarbonylContact O-C 3.55Å; Y575-Q595 WeakPolarHBondContact O-CA 3.38Å; Y575-Q596 PolarHBondContact N-O 3.24Å; Y575-Q596 PolarHBondContact O-N 3.03Å; Y575-T598 HydrophobicContact CD2-CG2 4.13Å; Y575-T598 HydrophobicContact CE2-CG2 4.08Å
576R89.3Confident88.5Confident50 Ų5049.7 Ų49.719%0.18925%0.246CC..EExtended strand (participates in β ladder)trans-104.5136.6163.861.1175.2-176.9158.91.9109Y543 S544 K549 W593 V594 Q595Y543-R576 CarbonylContact C-O 3.54Å; Y543-R576 VanDerWaalsContact CA-O 3.28Å; Y543-R576 WeakPolarHBondContact CA-O 3.36Å; S544-R576 PolarHBondContact N-O 3.49Å; S544-R576 WeakPolarHBondContact O-CG 3.45Å; S544-R576 PolarHBondContact O-N 3.1Å; S544-R576 PolarHBondContact OG-NE 2.83Å; K549-R576 PolarHBondContact O-NH2 2.93Å; R576-W593 HydrophobicContact CB-CD2 4.31Å; R576-W593 HydrophobicContact CB-CE3 3.69Å; R576-W593 HydrophobicContact CB-CZ3 4.22Å; R576-W593 HydrophobicContact CG-CD2 4.25Å; R576-W593 HydrophobicContact CG-CE3 3.67Å; R576-W593 HydrophobicContact CG-CH2 4.41Å; R576-W593 HydrophobicContact CG-CZ3 3.76Å; R576-V594 CarbonylContact C-O 3.55Å; R576-V594 WeakPolarHBondContact CA-O 3.41Å; R576-Q595 HydrophobicContact CB-CG 4.39Å
577L91.9Very high88.4Confident0 Ų051.5 Ų51.50%025%0.254CS..EExtended strand (participates in β ladder)trans-135.4145.5-175.1-55.588.2000110.4V512 I520 L522 D542 L566 V594 Q596V512-L577 HydrophobicContact CG1-CD1 4.21Å; V512-L577 HydrophobicContact CG1-CD2 4.13Å; I520-L577 HydrophobicContact CD1-CD1 4.46Å; I520-L577 HydrophobicContact CG2-CD2 3.79Å; L522-L577 HydrophobicContact CD1-CD2 3.85Å; L522-L577 HydrophobicContact CD2-CB 4.31Å; L522-L577 HydrophobicContact CD2-CD2 3.85Å; L522-L577 HydrophobicContact CG-CD2 3.97Å; D542-L577 CarbonylContact O-C 3.54Å; D542-L577 WeakPolarHBondContact O-CA 3.12Å; L566-L577 HydrophobicContact CD1-CD2 3.53Å; L566-L577 HydrophobicContact CD1-CG 4.48Å; L577-V594 PolarHBondContact N-O 2.8Å; L577-V594 PolarHBondContact O-N 3Å; L577-Q596 HydrophobicContact CD1-CB 4.17Å
578R91.4Very high88.5Confident58 Ų5843.5 Ų43.522%0.21923%0.226CC..EExtended strand (participates in β ladder)trans-149.9165.2171.364.9179.9-166.3-172.7-3.9110.8V541 D542 P590 S591 W593V541-R578 WeakPolarHBondContact CA-O 3.5Å; D542-R578 HydrophobicContact CB-CG 3.75Å; D542-R578 PolarHBondContact N-O 2.87Å; D542-R578 PolarHBondContact O-N 2.78Å; D542-R578 IonicContact OD2-CZ 3.18Å; D542-R578 VanDerWaalsContact OD2-CZ 3.25Å; D542-R578 IonicContact OD2-NE 3.46Å; D542-R578 PolarHBondContact OD2-NE 2.86Å; D542-R578 IonicContact OD2-NH2 3.43Å; D542-R578 PolarHBondContact OD2-NH2 3.03Å; R578-P590 HydrophobicContact CG-CB 4.21Å; R578-S591 WeakPolarHBondContact CA-OG 3.37Å; R578-S591 WeakPolarHBondContact CB-O 3.39Å; R578-S591 WeakPolarHBondContact CB-OG 3.37Å; R578-W593 HydrophobicContact CB-CD2 4.36Å; R578-W593 HydrophobicContact CB-CE3 4.07Å; R578-W593 HydrophobicContact CB-CZ3 4.43Å; R578-W593 HydrophobicContact CG-CD2 4.18Å; R578-W593 HydrophobicContact CG-CE3 3.89Å; R578-W593 HydrophobicContact CG-CH2 4.06Å; R578-W593 HydrophobicContact CG-CZ2 4.31Å; R578-W593 HydrophobicContact CG-CZ3 3.83Å
579I93.1Very high88.7Confident0 Ų039 Ų390%021%0.211CC..EExtended strand (participates in β ladder)trans-130.7138.5180-170.2170.8000112.4P507 L510 W524 Y539 R540 V541 P590 S591P507-I579 HydrophobicContact CB-CG2 4Å; P507-I579 WeakPolarHBondContact CD-O 3.27Å; P507-I579 HydrophobicContact CG-CG2 4.1Å; L510-I579 HydrophobicContact CB-CG2 4.3Å; L510-I579 HydrophobicContact CD1-CB 4.48Å; L510-I579 HydrophobicContact CD1-CG2 4.01Å; L510-I579 HydrophobicContact CD2-CB 4.45Å; L510-I579 HydrophobicContact CD2-CG2 4.1Å; L510-I579 HydrophobicContact CG-CG2 4.36Å; W524-I579 HydrophobicContact CB-CD1 4.49Å; W524-I579 HydrophobicContact CD2-CD1 3.27Å; W524-I579 HydrophobicContact CE3-CD1 3.6Å; W524-I579 HydrophobicContact CG-CD1 3.71Å; W524-I579 HydrophobicContact CH2-CD1 4.06Å; W524-I579 HydrophobicContact CZ2-CD1 3.77Å; W524-I579 HydrophobicContact CZ3-CD1 3.98Å; Y539-I579 HydrophobicContact CD1-CD1 3.8Å; Y539-I579 HydrophobicContact CD1-CG1 4.1Å; Y539-I579 HydrophobicContact CG-CD1 4.23Å; R540-I579 CarbonylContact O-C 3.56Å; R540-I579 WeakPolarHBondContact O-CA 3.42Å; V541-I579 HydrophobicContact CG2-CD1 4.32Å; V541-I579 HydrophobicContact CG2-CG1 4.32Å; I579-P590 CarbonylContact O-C 3.55Å; I579-P590 WeakPolarHBondContact O-CA 3.42Å; I579-S591 PolarHBondContact N-OG 2.8Å; I579-S591 PolarHBondContact O-N 2.92Å
580A92.4Very high88.8Confident0 Ų040.2 Ų40.20%022%0.22CC..EExtended strand (participates in β ladder)trans-115.1145.2167.500000110.4Y539 R540 F587 P590Y539-A580 CarbonylContact C-O 3.57Å; Y539-A580 VanDerWaalsContact CA-O 3.31Å; Y539-A580 WeakPolarHBondContact CA-O 3.46Å; R540-A580 PolarHBondContact N-O 2.97Å; R540-A580 PolarHBondContact O-N 2.91Å; A580-F587 HydrophobicContact CB-CD1 4.47Å; A580-P590 HydrophobicContact CB-CB 4.08Å
581A92Very high89.1Confident0 Ų034 Ų340%020%0.198CC..EExtended strand (participates in β ladder)trans-95.2158.1167.500000110.2P504 P507 L527 V536 Y539 F587 G588P504-A581 HydrophobicContact CB-CB 3.8Å; P504-A581 HydrophobicContact CG-CB 3.88Å; P507-A581 HydrophobicContact CG-CB 4.39Å; L527-A581 HydrophobicContact CD1-CB 3.78Å; L527-A581 HydrophobicContact CD2-CB 3.73Å; L527-A581 HydrophobicContact CG-CB 4.45Å; V536-A581 HydrophobicContact CG1-CB 4.24Å; Y539-A581 HydrophobicContact CD1-CB 3.85Å; Y539-A581 HydrophobicContact CE1-CB 3.62Å; A581-F587 WeakPolarHBondContact O-CA 3.49Å; A581-G588 PolarHBondContact O-N 2.84Å
582G90.8Very high89.2Confident0 Ų039.2 Ų39.20%022%0.218CC..EExtended strand (participates in β ladder)trans-140.4141.2176.200000114.7T537 R538 G586T537-G582 PolarHBondContact N-O 2.79Å; T537-G582 PolarHBondContact OG1-O 3.14Å; R538-G582 PolarHBondContact N-O 3.5Å; R538-G582 PolarHBondContact O-N 3.47Å; G582-G586 CarbonylContact C-O 3.53Å; G582-G586 WeakPolarHBondContact CA-O 3.25Å
583T91.5Very high89.4Confident0 Ų039 Ų390%021%0.211CC..  trans-103-176.1175.649.60000110.6D502 P504 S532 A535 R538 V585 G586D502-T583 WeakPolarHBondContact O-CB 3.47Å; D502-T583 WeakPolarHBondContact O-CG2 3.47Å; D502-T583 PolarHBondContact O-OG1 2.93Å; P504-T583 HydrophobicContact CG-CG2 3.77Å; S532-T583 WeakPolarHBondContact O-CG2 3.11Å; A535-T583 WeakPolarHBondContact O-CA 3.4Å; R538-T583 PolarHBondContact NH1-O 2.9Å; R538-T583 PolarHBondContact NH2-O 2.99Å; T583-V585 PolarHBondContact O-N 2.8Å; T583-G586 PolarHBondContact N-O 2.93Å; T583-G586 PolarHBondContact O-N 2.93Å
584A86.6Confident89.6Confident79 Ų7939.1 Ų39.165%0.65322%0.215SC*.SBendtrans-57-31.9174.900000111.8E501E501-A584 WeakPolarHBondContact OE2-CB 3.45Å; E501-A584 PolarHBondContact OE2-N 3.42Å; E501-A584 VanDerWaalsContact OE2-N 3.15Å
585V89Confident89.7Confident86 Ų8643.2 Ų43.252%0.52123%0.231SC..SBendtrans-66.3-45.7178.7-174.20000113.2E501 V503 T583E501-V585 HydrophobicContact CB-CG2 3.75Å; V503-V585 HydrophobicContact CG1-CB 4.22Å; V503-V585 HydrophobicContact CG1-CG1 3.88Å; T583-V585 PolarHBondContact O-N 2.8Å
586G87.7Confident89.5Confident13 Ų1344.7 Ų44.713%0.13424%0.239CC..  trans166.8179.8-170.100000114.5G582 T583G582-G586 CarbonylContact C-O 3.53Å; G582-G586 WeakPolarHBondContact CA-O 3.25Å; T583-G586 PolarHBondContact N-O 2.93Å; T583-G586 PolarHBondContact O-N 2.93Å
587F90.3Very high89.2Confident45 Ų4546.9 Ų46.920%0.19725%0.251CS..BIsolated β-bridgetrans-82133.8169.6-74.6-72.5000110.9R538 R540 E556 A580 A581R538-F587 HydrophobicContact CB-CE1 4.33Å; R538-F587 HydrophobicContact CB-CZ 4.38Å; R538-F587 HydrophobicContact CG-CD1 4.5Å; R538-F587 HydrophobicContact CG-CE1 3.6Å; R538-F587 HydrophobicContact CG-CZ 3.64Å; R538-F587 VanDerWaalsContact NE-CE2 3.35Å; R538-F587 VanDerWaalsContact NE-CZ 3.3Å; R540-F587 HydrophobicContact CB-CD1 3.95Å; R540-F587 HydrophobicContact CB-CE1 3.59Å; R540-F587 HydrophobicContact CB-CZ 3.89Å; E556-F587 VanDerWaalsContact CD-CE2 3.46Å; E556-F587 VanDerWaalsContact CD-CZ 3.43Å; E556-F587 HydrophobicContact CG-CE2 4.25Å; E556-F587 HydrophobicContact CG-CZ 3.83Å; E556-F587 VanDerWaalsContact OE1-CE2 3.25Å; E556-F587 WeakPolarHBondContact OE1-CE2 3.45Å; E556-F587 WeakPolarHBondContact OE2-CZ 3.31Å; A580-F587 HydrophobicContact CB-CD1 4.47Å; A581-F587 WeakPolarHBondContact O-CA 3.49Å
588G88.5Confident88.7Confident9 Ų947 Ų479%0.09325%0.252CS..  trans-76.2-174.1177.100000114.4P504 A581P504-G588 WeakPolarHBondContact O-CA 3.2Å; A581-G588 PolarHBondContact O-N 2.84Å
589V90.2Very high88Confident92 Ų9247.3 Ų47.356%0.55826%0.26SS*.PPolyproline II helixtrans-60.3130.2172.9-174.80000108.6P504 A506P504-V589 PolarHBondContact O-N 2.82Å; A506-V589 VanDerWaalsContact CA-O 3.29Å; A506-V589 WeakPolarHBondContact CA-O 3.42Å; A506-V589 HydrophobicContact CB-CB 4.29Å; A506-V589 HydrophobicContact CB-CG1 4.19Å
590P89.4Confident86.9Confident33 Ų3351.5 Ų51.521%0.21429%0.286CS..PPolyproline II helixtrans-74158.9175.531.2-35.1000111.4R578 I579 A580R578-P590 HydrophobicContact CG-CB 4.21Å; I579-P590 CarbonylContact O-C 3.55Å; I579-P590 WeakPolarHBondContact O-CA 3.42Å; A580-P590 HydrophobicContact CB-CB 4.08Å
591S90.3Very high85.1Confident11 Ų1161.5 Ų61.58%0.07732%0.323CS..PPolyproline II helixtrans-61165.5170.875.40000112R578 I579R578-S591 WeakPolarHBondContact CA-OG 3.37Å; R578-S591 WeakPolarHBondContact CB-O 3.39Å; R578-S591 WeakPolarHBondContact CB-OG 3.37Å; I579-S591 PolarHBondContact N-OG 2.8Å; I579-S591 PolarHBondContact O-N 2.92Å
592E87.1Confident83.2Confident166 Ų16666.5 Ų66.578%0.77636%0.358SS*.PPolyproline II helixtrans-56153.1165-71.8-57.7145.500112.1V594E592-V594 PolarHBondContact O-N 2.85Å
593W87Confident81.2Confident77 Ų7769.3 Ų69.329%0.29239%0.387SS..PPolyproline II helixtrans-73.5116.6177.9-74106000111.3D542 V552 R576 R578D542-W593 HydrophobicContact CB-CH2 4.21Å; V552-W593 HydrophobicContact CG1-CH2 4.09Å; V552-W593 HydrophobicContact CG2-CH2 4.24Å; V552-W593 HydrophobicContact CG2-CZ2 4.5Å; R576-W593 HydrophobicContact CB-CD2 4.31Å; R576-W593 HydrophobicContact CB-CE3 3.69Å; R576-W593 HydrophobicContact CB-CZ3 4.22Å; R576-W593 HydrophobicContact CG-CD2 4.25Å; R576-W593 HydrophobicContact CG-CE3 3.67Å; R576-W593 HydrophobicContact CG-CH2 4.41Å; R576-W593 HydrophobicContact CG-CZ3 3.76Å; R578-W593 HydrophobicContact CB-CD2 4.36Å; R578-W593 HydrophobicContact CB-CE3 4.07Å; R578-W593 HydrophobicContact CB-CZ3 4.43Å; R578-W593 HydrophobicContact CG-CD2 4.18Å; R578-W593 HydrophobicContact CG-CE3 3.89Å; R578-W593 HydrophobicContact CG-CH2 4.06Å; R578-W593 HydrophobicContact CG-CZ2 4.31Å; R578-W593 HydrophobicContact CG-CZ3 3.83Å
594V87.1Confident79.4Confident47 Ų4775.9 Ų75.929%0.28543%0.43SS..EExtended strand (participates in β ladder)trans-94.7128.9171.2-176.10000109.2L510 V512 R576 L577 E592L510-V594 HydrophobicContact CB-CG2 4.49Å; L510-V594 HydrophobicContact CD2-CG2 4.2Å; L510-V594 HydrophobicContact CG-CG2 4.48Å; V512-V594 HydrophobicContact CB-CG1 4.08Å; V512-V594 HydrophobicContact CG2-CB 4.05Å; V512-V594 HydrophobicContact CG2-CG1 3.82Å; R576-V594 CarbonylContact C-O 3.55Å; R576-V594 WeakPolarHBondContact CA-O 3.41Å; L577-V594 PolarHBondContact N-O 2.8Å; L577-V594 PolarHBondContact O-N 3Å; E592-V594 PolarHBondContact O-N 2.85Å
595Q88.3Confident77.5Confident123 Ų12377.7 Ų77.758%0.57544%0.438SS*.EExtended strand (participates in β ladder)trans-95135.1175.8-68.4179.7-300111V574 Y575 R576V574-Q595 HydrophobicContact CG1-CB 4.37Å; Y575-Q595 CarbonylContact O-C 3.55Å; Y575-Q595 WeakPolarHBondContact O-CA 3.38Å; R576-Q595 HydrophobicContact CB-CG 4.39Å
596Q85.4Confident75Confident50 Ų5080 Ų8023%0.23445%0.447CS..EExtended strand (participates in β ladder)trans-141.1131.6175.8178.461.654.200110.2V512 I520 Y575 L577V512-Q596 HydrophobicContact CG1-CB 3.74Å; V512-Q596 HydrophobicContact CG1-CG 4Å; I520-Q596 HydrophobicContact CD1-CB 4.11Å; I520-Q596 HydrophobicContact CD1-CG 3.84Å; I520-Q596 HydrophobicContact CG1-CG 4.1Å; I520-Q596 HydrophobicContact CG2-CG 4.21Å; Y575-Q596 PolarHBondContact N-O 3.24Å; Y575-Q596 PolarHBondContact O-N 3.03Å; L577-Q596 HydrophobicContact CD1-CB 4.17Å
597Q84.3Confident73.2Confident95 Ų9586.9 Ų86.944%0.44448%0.481SS..EExtended strand (participates in β ladder)trans-91.3138.5172.6-165.9173.71.900110.6S514 N572 Q573 V574S514-Q597 WeakPolarHBondContact CB-O 3.38Å; N572-Q597 PolarHBondContact OD1-NE2 3.14Å; Q573-Q597 WeakPolarHBondContact O-CA 3.37Å; V574-Q597 HydrophobicContact CG2-CB 4.1Å; V574-Q597 HydrophobicContact CG2-CG 3.91Å
598T79.8Confident71.4Confident3 Ų387.5 Ų87.52%0.01849%0.491CS..PPolyproline II helixtrans-75.7149.7169.752.80000111.1P517 I520 L569 R570 N572 Q573 Y575P517-T598 WeakPolarHBondContact O-CB 3.46Å; I520-T598 HydrophobicContact CD1-CG2 3.92Å; I520-T598 HydrophobicContact CG1-CG2 4.04Å; L569-T598 HydrophobicContact CB-CG2 4.01Å; L569-T598 HydrophobicContact CD1-CG2 4.19Å; R570-T598 PolarHBondContact O-OG1 2.95Å; N572-T598 WeakPolarHBondContact CA-O 3.27Å; N572-T598 PolarHBondContact N-OG1 2.86Å; Q573-T598 PolarHBondContact N-OG1 2.83Å; Q573-T598 PolarHBondContact O-N 3.28Å; Q573-T598 PolarHBondContact O-OG1 2.89Å; Y575-T598 HydrophobicContact CD2-CG2 4.13Å; Y575-T598 HydrophobicContact CE2-CG2 4.08Å
599V76.9Confident69.8Low65 Ų6590.1 Ų90.139%0.39451%0.505SS..PPolyproline II helixtrans-64143.4-177.8-179.60000111.4S514 P517 N572S514-V599 PolarHBondContact OG-N 2.9Å; P517-V599 WeakPolarHBondContact CA-O 3.45Å; P517-V599 WeakPolarHBondContact CB-O 3.45Å; P517-V599 HydrophobicContact CG-CB 4.36Å; N572-V599 PolarHBondContact N-O 2.87Å
600V70.4Confident68.3Low88 Ų8889.9 Ų89.953%0.53350%0.503SS..PPolyproline II helixtrans-66.5133.1173.7-172.70000109.8N572 S602N572-V600 HydrophobicContact CB-CG2 4.19Å; N572-V600 WeakPolarHBondContact OD1-CG2 3.46Å; V600-S602 PolarHBondContact O-N 2.8Å
601R55Low67.2Low209 Ų20988.8 Ų88.879%0.78950%0.496SS*.  trans-71.297.7173.2-171.3179.6-173.1-1792.6109.5P571P571-R601 HydrophobicContact CB-CB 4.33Å
602S51.4Low66.1Low106 Ų10692.6 Ų92.674%0.74151%0.511SS*.  trans-65.6130.8174.138.80000111.1V600V600-S602 PolarHBondContact O-N 2.8Å
603G49.9Very low65.5Low58 Ų5886.2 Ų86.260%0.59849%0.487SS*.  trans-70.3158.2170.700000111.8S605G603-S605 PolarHBondContact O-N 2.98Å
604P52.1Low65.1Low139 Ų13982.8 Ų82.890%0.90348%0.475SS*.SBendtrans-85.965.2-167.636.2-37.7000113.4
605S47.2Very low64.3Low117 Ų11782.7 Ų82.782%0.81848%0.476SS*.  trans-174.667161.760.40000114.1G603G603-S605 PolarHBondContact O-N 2.98Å
606D37.6Very low63.7Low133 Ų13381.5 Ų81.571%0.71147%0.47SS*.  trans-153127.6148.9-17424.3000109.7S608D606-S608 PolarHBondContact O-N 3.38Å; D606-S608 VanDerWaalsContact O-N 3.12Å; D606-S608 VanDerWaalsContact OD2-CB 3.28Å; D606-S608 WeakPolarHBondContact OD2-CB 3.4Å; D606-S608 PolarHBondContact OD2-OG 2.8Å
607N49.9Very low63.3Low159 Ų15980.7 Ų80.785%0.8547%0.467SS*.  trans-9036.5-172.4-149.78.8000111.9T609N607-T609 PolarHBondContact O-N 2.87Å
608S50.7Low62.9Low58 Ų5881 Ų8141%0.40647%0.467SS..  trans-88.489.9-177.958.50000110.4D606 V610 K697D606-S608 PolarHBondContact O-N 3.38Å; D606-S608 VanDerWaalsContact O-N 3.12Å; D606-S608 VanDerWaalsContact OD2-CB 3.28Å; D606-S608 WeakPolarHBondContact OD2-CB 3.4Å; D606-S608 PolarHBondContact OD2-OG 2.8Å; S608-V610 PolarHBondContact O-N 2.56Å; S608-K697 PolarHBondContact O-NZ 3.42Å
609T56.8Low62.9Low64 Ų6481.8 Ų81.839%0.39347%0.472SS..  trans-42.9121.4-177.4480000113.2N607 I611 L638 K697N607-T609 PolarHBondContact O-N 2.87Å; T609-I611 PolarHBondContact O-N 3.48Å; T609-L638 HydrophobicContact CG2-CD1 3.94Å; T609-K697 VanDerWaalsContact O-CE 3.27Å; T609-K697 WeakPolarHBondContact O-CE 3.36Å; T609-K697 PolarHBondContact O-NZ 2.97Å
610V58.6Low62.9Low86 Ų8688 Ų8852%0.52149%0.488SS..  trans-74.3120.8179.9178.80000109S608 F612 N635S608-V610 PolarHBondContact O-N 2.56Å; V610-F612 HydrophobicContact CG1-CD1 4.24Å; V610-F612 HydrophobicContact CG1-CE1 4.13Å; V610-F612 HydrophobicContact CG1-CZ 4.45Å; V610-F612 PolarHBondContact O-N 2.83Å; V610-N635 PolarHBondContact O-ND2 3.22Å
611I64.9Low63.1Low11 Ų1186.2 Ų86.26%0.05648%0.478CS..  trans-89.196.3173.4-54.7174000107.6T609 V639 A692 D694 K697 G699 A700T609-I611 PolarHBondContact O-N 3.48Å; I611-V639 HydrophobicContact CG2-CG2 4.25Å; I611-A692 HydrophobicContact CG2-CB 3.55Å; I611-D694 HydrophobicContact CD1-CB 3.8Å; I611-K697 HydrophobicContact CD1-CG 4.17Å; I611-G699 WeakPolarHBondContact O-CA 3.44Å; I611-A700 PolarHBondContact O-N 2.8Å
612F68Low64.1Low91 Ų9184.6 Ų84.640%0.39947%0.472SS..PPolyproline II helixtrans-60.8153.4176.1-63.2-72.8000112V610 S633 P634 N635V610-F612 HydrophobicContact CG1-CD1 4.24Å; V610-F612 HydrophobicContact CG1-CE1 4.13Å; V610-F612 HydrophobicContact CG1-CZ 4.45Å; V610-F612 PolarHBondContact O-N 2.83Å; F612-S633 VanDerWaalsContact O-CB 3.3Å; F612-S633 WeakPolarHBondContact O-CB 3.49Å; F612-S633 PolarHBondContact O-OG 2.93Å; F612-P634 HydrophobicContact CB-CG 4.36Å; F612-P634 HydrophobicContact CD2-CB 4.2Å; F612-N635 HydrophobicContact CD2-CB 4.42Å; F612-N635 WeakPolarHBondContact CD2-ND2 3.35Å; F612-N635 VanDerWaalsContact CE2-ND2 3.35Å; F612-N635 WeakPolarHBondContact CE2-ND2 3.29Å
613A74.3Confident65.4Low32 Ų3282 Ų8226%0.26445%0.452SS..PPolyproline II helixtrans-60.7153.1173.300000111.8S615 A700 A702A613-S615 PolarHBondContact O-N 2.84Å; A613-A700 VanDerWaalsContact CA-O 3.29Å; A613-A700 WeakPolarHBondContact CA-O 3.29Å; A613-A700 HydrophobicContact CB-CB 4.15Å; A613-A702 HydrophobicContact CB-CB 4.31Å
614P78.3Confident66.6Low5 Ų582.4 Ų82.43%0.03244%0.442CS..PPolyproline II helixtrans-60.2134.5169-14.327.4000110.5W630 Q631 Y642 V690P614-W630 HydrophobicContact CB-CB 3.99Å; P614-W630 HydrophobicContact CB-CG 4.04Å; P614-Q631 WeakPolarHBondContact CB-O 3.33Å; P614-Y642 HydrophobicContact CB-CE1 4.33Å; P614-Y642 HydrophobicContact CG-CD1 4.07Å; P614-Y642 HydrophobicContact CG-CE1 3.95Å; P614-V690 VanDerWaalsContact CD-O 3.3Å; P614-V690 WeakPolarHBondContact CD-O 3.49Å; P614-V690 HydrophobicContact CG-CB 4.32Å; P614-V690 HydrophobicContact CG-CG1 3.97Å
615S71Confident67.6Low45 Ų4577 Ų7732%0.31541%0.407SS..SBendtrans-79.2160.617745.50000111.8A613 L617 Q631 P632A613-S615 PolarHBondContact O-N 2.84Å; S615-L617 PolarHBondContact O-N 3.15Å; S615-Q631 PolarHBondContact N-O 3.06Å; S615-Q631 WeakPolarHBondContact O-CB 3.42Å; S615-Q631 PolarHBondContact O-N 2.78Å; S615-Q631 VanDerWaalsContact OG-CB 3.3Å; S615-Q631 WeakPolarHBondContact OG-CB 3.42Å; S615-P632 PolarHBondContact OG-O 2.81Å
616E74.3Confident69.2Low97 Ų9771.5 Ų71.545%0.45337%0.368SS..  trans4849.1177.1-61.6-168.8-162.600115.3K618 Q631E616-K618 PolarHBondContact O-N 3.28Å; E616-K618 IonicContact OE2-NZ 3.09Å; E616-K618 PolarHBondContact OE2-NZ 2.65Å; E616-Q631 HydrophobicContact CB-CB 4.45Å; E616-Q631 HydrophobicContact CB-CG 4.16Å; E616-Q631 HydrophobicContact CG-CG 4.46Å; E616-Q631 PolarHBondContact OE1-NE2 3.41Å; E616-Q631 PolarHBondContact OE2-NE2 3.25Å
617L77.6Confident71.5Confident33 Ų3367.6 Ų67.617%0.17335%0.347CS..  trans-63.2106.1170.2-178.964.2000110S615 V628 T629 W630 V690 A702 W704S615-L617 PolarHBondContact O-N 3.15Å; L617-V628 HydrophobicContact CD1-CG1 3.63Å; L617-T629 WeakPolarHBondContact CA-O 3.2Å; L617-W630 HydrophobicContact CD1-CB 4.37Å; L617-V690 HydrophobicContact CD1-CB 4.28Å; L617-V690 HydrophobicContact CD1-CG2 3.56Å; L617-V690 HydrophobicContact CD2-CG2 4.39Å; L617-A702 HydrophobicContact CB-CB 3.89Å; L617-A702 HydrophobicContact CD2-CB 3.74Å; L617-A702 WeakPolarHBondContact CD2-O 3.44Å; L617-A702 HydrophobicContact CG-CB 4.38Å; L617-W704 HydrophobicContact CD2-CB 3.91Å; L617-W704 HydrophobicContact CG-CB 4.43Å
618K76.7Confident73.2Confident101 Ų10160 Ų6044%0.43931%0.307SS..EExtended strand (participates in β ladder)trans-118.2121.2-179.8-74161.9177.41650108.8E616 T629E616-K618 PolarHBondContact O-N 3.28Å; E616-K618 IonicContact OE2-NZ 3.09Å; E616-K618 PolarHBondContact OE2-NZ 2.65Å; K618-T629 WeakPolarHBondContact CB-OG1 3.3Å; K618-T629 PolarHBondContact N-O 3.01Å; K618-T629 PolarHBondContact O-N 3.4Å; K618-T629 PolarHBondContact O-OG1 2.82Å
619V78.9Confident74.6Confident21 Ų2159.4 Ų59.413%0.12730%0.301CS..EExtended strand (participates in β ladder)trans-111.7120.4176.1-176.20000108.8L626 N627 V628 W704V619-L626 HydrophobicContact CG1-CB 3.91Å; V619-L626 HydrophobicContact CG1-CD2 4Å; V619-L626 HydrophobicContact CG1-CG 4.36Å; V619-N627 WeakPolarHBondContact CA-O 3.27Å; V619-V628 HydrophobicContact CG1-CG2 4.32Å; V619-V628 HydrophobicContact CG2-CB 4.46Å; V619-V628 HydrophobicContact CG2-CG1 4.15Å; V619-V628 HydrophobicContact CG2-CG2 4.19Å; V619-W704 HydrophobicContact CB-CD2 3.71Å; V619-W704 HydrophobicContact CB-CE3 4.23Å; V619-W704 HydrophobicContact CB-CG 3.97Å; V619-W704 HydrophobicContact CB-CZ2 4.06Å; V619-W704 HydrophobicContact CG1-CD2 4.11Å; V619-W704 HydrophobicContact CG1-CE3 4.15Å; V619-W704 HydrophobicContact CG1-CH2 4.04Å; V619-W704 HydrophobicContact CG1-CZ2 4.02Å; V619-W704 HydrophobicContact CG1-CZ3 4.12Å; V619-W704 HydrophobicContact CG2-CB 3.84Å; V619-W704 HydrophobicContact CG2-CD2 3.62Å; V619-W704 HydrophobicContact CG2-CE3 4.07Å; V619-W704 HydrophobicContact CG2-CG 3.51Å
620R76.6Confident75.9Confident194 Ų19456.8 Ų56.873%0.73228%0.284SS*.EExtended strand (participates in β ladder)trans-91.3120.1168.4-72.2-179.3172.8176.5-3.3108.8N627R620-N627 HydrophobicContact CB-CB 4.34Å; R620-N627 PolarHBondContact N-O 2.95Å; R620-N627 PolarHBondContact O-N 3.09Å
621T75.1Confident76.9Confident51 Ų5156.9 Ų56.931%0.31328%0.278SS..EExtended strand (participates in β ladder)trans-80152.4178.359.90000111L626 W704 R707 D709T621-L626 HydrophobicContact CG2-CD2 3.77Å; T621-W704 HydrophobicContact CG2-CH2 3.75Å; T621-W704 HydrophobicContact CG2-CZ2 3.68Å; T621-R707 WeakPolarHBondContact CG2-O 3.22Å; T621-D709 WeakPolarHBondContact CB-OD1 3.44Å; T621-D709 PolarHBondContact OG1-OD1 2.99Å
622R77.2Confident77.5Confident176 Ų17658.2 Ų58.266%0.66429%0.288SS*.  trans-146.6172.7165.5-69.9-164.6173.1-150.2-4108.3T624 T625 D709R622-T624 VanDerWaalsContact C-N 3.31Å; R622-T624 PolarHBondContact O-N 2.82Å; R622-T625 WeakPolarHBondContact CB-OG1 3.33Å; R622-T625 PolarHBondContact N-O 2.94Å; R622-D709 WeakPolarHBondContact CA-OD2 3.48Å; R622-D709 PolarHBondContact O-N 3.08Å
623V78Confident77.6Confident52 Ų5253.9 Ų53.932%0.31527%0.269SS..SBendtrans-54.6-40.3-176.8-174.80000113.4P682 D709 I711V623-P682 HydrophobicContact CG1-CB 3.93Å; V623-P682 HydrophobicContact CG1-CG 3.8Å; V623-P682 VanDerWaalsContact O-CA 3.27Å; V623-P682 WeakPolarHBondContact O-CA 3.2Å; V623-P682 WeakPolarHBondContact O-CG 3.28Å; V623-D709 WeakPolarHBondContact CA-O 3.3Å; V623-D709 HydrophobicContact CG2-CB 4.14Å; V623-I711 HydrophobicContact CG1-CG1 3.74Å
624T74.4Confident77.3Confident66 Ų6656.4 Ų56.441%0.40528%0.283SS..SBendtrans-132.810.3-17957.50000114.2R622 G679 L680 P682R622-T624 VanDerWaalsContact C-N 3.31Å; R622-T624 PolarHBondContact O-N 2.82Å; T624-G679 PolarHBondContact O-N 3.25Å; T624-L680 VanDerWaalsContact CA-O 3.31Å; T624-L680 WeakPolarHBondContact CA-O 3.5Å; T624-L680 WeakPolarHBondContact CB-O 3.48Å; T624-L680 WeakPolarHBondContact CG2-O 3.44Å; T624-L680 PolarHBondContact O-N 2.97Å; T624-P682 HydrophobicContact CG2-CG 4.03Å
625T73.5Confident76.7Confident26 Ų2658.6 Ų58.616%0.1629%0.294CS..EExtended strand (participates in β ladder)trans-141.6151.3-176.171.50000112.1R622 L677 T678R622-T625 WeakPolarHBondContact CB-OG1 3.33Å; R622-T625 PolarHBondContact N-O 2.94Å; T625-L677 CarbonylContact C-O 3.52Å; T625-L677 WeakPolarHBondContact CA-O 3.21Å; T625-L677 WeakPolarHBondContact CB-O 3.42Å; T625-T678 HydrophobicContact CG2-CG2 3.9Å
626L81.6Confident76.2Confident0 Ų060.6 Ų60.60%030%0.298CS..EExtended strand (participates in β ladder)trans-126.1116.5172.1-65.1176.1000108.5V619 T621 V628 L677 L680 Y686 V688 W704 T708V619-L626 HydrophobicContact CG1-CB 3.91Å; V619-L626 HydrophobicContact CG1-CD2 4Å; V619-L626 HydrophobicContact CG1-CG 4.36Å; T621-L626 HydrophobicContact CG2-CD2 3.77Å; L626-V628 PolarHBondContact O-N 2.8Å; L626-L677 HydrophobicContact CB-CB 4.26Å; L626-L677 HydrophobicContact CB-CD1 4.41Å; L626-L677 PolarHBondContact N-O 3.31Å; L626-L677 PolarHBondContact O-N 2.78Å; L626-L680 HydrophobicContact CB-CD1 4.02Å; L626-L680 HydrophobicContact CD1-CD1 3.67Å; L626-L680 HydrophobicContact CG-CD1 3.49Å; L626-L680 VanDerWaalsContact CG-CD1 3.49Å; L626-Y686 HydrophobicContact CD1-CD2 4.49Å; L626-Y686 HydrophobicContact CD1-CG 4.43Å; L626-V688 HydrophobicContact CD1-CG2 3.95Å; L626-W704 HydrophobicContact CD1-CH2 4.33Å; L626-W704 HydrophobicContact CD1-CZ3 3.82Å; L626-W704 HydrophobicContact CD2-CH2 3.89Å; L626-W704 HydrophobicContact CD2-CZ3 4.22Å; L626-T708 HydrophobicContact CD2-CG2 4.22Å; L626-T708 HydrophobicContact CG-CG2 4.39Å
627N84.5Confident75.7Confident52 Ų5260.7 Ų60.728%0.27831%0.305SS..EExtended strand (participates in β ladder)trans-91103.2174.4-174.27.5000109.3V619 R620 L676V619-N627 WeakPolarHBondContact CA-O 3.27Å; R620-N627 HydrophobicContact CB-CB 4.34Å; R620-N627 PolarHBondContact N-O 2.95Å; R620-N627 PolarHBondContact O-N 3.09Å; N627-L676 HydrophobicContact CB-CD1 3.8Å
628V85.9Confident75.2Confident0 Ų063.5 Ų63.50%032%0.32CS..EExtended strand (participates in β ladder)trans-93.1125.9-175.3-173.30000108.7L617 V619 L626 W630 L644 H674 H675 L677 V688 V690L617-V628 HydrophobicContact CD1-CG1 3.63Å; V619-V628 HydrophobicContact CG1-CG2 4.32Å; V619-V628 HydrophobicContact CG2-CB 4.46Å; V619-V628 HydrophobicContact CG2-CG1 4.15Å; V619-V628 HydrophobicContact CG2-CG2 4.19Å; L626-V628 PolarHBondContact O-N 2.8Å; V628-W630 HydrophobicContact CB-CZ3 4.38Å; V628-W630 HydrophobicContact CG1-CE3 4.02Å; V628-W630 HydrophobicContact CG1-CZ3 4.01Å; V628-L644 HydrophobicContact CG1-CD1 4.11Å; V628-L644 HydrophobicContact CG2-CD1 4.41Å; V628-H674 CarbonylContact O-C 3.59Å; V628-H674 WeakPolarHBondContact O-CA 3.25Å; V628-H674 WeakPolarHBondContact O-CB 3.41Å; V628-H675 PolarHBondContact N-O 2.82Å; V628-H675 PolarHBondContact O-N 2.82Å; V628-L677 HydrophobicContact CG2-CD1 4.02Å; V628-L677 HydrophobicContact CG2-CG 4.3Å; V628-V688 HydrophobicContact CG1-CG1 4.11Å; V628-V688 HydrophobicContact CG2-CG1 3.96Å; V628-V690 HydrophobicContact CG1-CG2 3.91Å
629T80.8Confident75Confident45 Ų4558.8 Ų58.828%0.27630%0.3SS..EExtended strand (participates in β ladder)trans-132144.9-178.661.10000110.4L617 K618 R673 H674L617-T629 WeakPolarHBondContact CA-O 3.2Å; K618-T629 WeakPolarHBondContact CB-OG1 3.3Å; K618-T629 PolarHBondContact N-O 3.01Å; K618-T629 PolarHBondContact O-N 3.4Å; K618-T629 PolarHBondContact O-OG1 2.82Å; T629-R673 WeakPolarHBondContact CA-O 3.33Å; T629-H674 HydrophobicContact CG2-CB 3.8Å
630W84Confident75Confident9 Ų960.3 Ų60.33%0.03431%0.312CS..  trans-153.8153.5179.761.693.8000112.3P614 L617 V628 Y642 L668 A672 R673 H675 V690P614-W630 HydrophobicContact CB-CB 3.99Å; P614-W630 HydrophobicContact CB-CG 4.04Å; L617-W630 HydrophobicContact CD1-CB 4.37Å; V628-W630 HydrophobicContact CB-CZ3 4.38Å; V628-W630 HydrophobicContact CG1-CE3 4.02Å; V628-W630 HydrophobicContact CG1-CZ3 4.01Å; W630-Y642 HydrophobicContact CZ2-CG 4.45Å; W630-Y642 AromaticContact NE1-CD1 3.64Å; W630-Y642 AromaticContact NE1-CE1 3.74Å; W630-Y642 AromaticContact NE1-CG 3.83Å; W630-L668 HydrophobicContact CH2-CD1 3.51Å; W630-L668 HydrophobicContact CZ2-CD1 3.87Å; W630-A672 HydrophobicContact CZ2-CB 4.07Å; W630-A672 PolarHBondContact NE1-O 3.34Å; W630-R673 PolarHBondContact N-O 2.94Å; W630-H675 HydrophobicContact CH2-CB 4.16Å; W630-H675 HydrophobicContact CZ3-CB 4.31Å; W630-V690 HydrophobicContact CD2-CG1 3.9Å; W630-V690 HydrophobicContact CE3-CG1 4.15Å; W630-V690 HydrophobicContact CE3-CG2 4.3Å; W630-V690 HydrophobicContact CG-CG1 4.29Å; W630-V690 HydrophobicContact CZ2-CG1 4.36Å
631Q79.4Confident75.3Confident87 Ų8751.1 Ų51.141%0.40728%0.277SS..PPolyproline II helixtrans-85.7156168-74.5-167.122.900111.3P614 S615 E616P614-Q631 WeakPolarHBondContact CB-O 3.33Å; S615-Q631 PolarHBondContact N-O 3.06Å; S615-Q631 WeakPolarHBondContact O-CB 3.42Å; S615-Q631 PolarHBondContact O-N 2.78Å; S615-Q631 VanDerWaalsContact OG-CB 3.3Å; S615-Q631 WeakPolarHBondContact OG-CB 3.42Å; E616-Q631 HydrophobicContact CB-CB 4.45Å; E616-Q631 HydrophobicContact CB-CG 4.16Å; E616-Q631 HydrophobicContact CG-CG 4.46Å; E616-Q631 PolarHBondContact OE1-NE2 3.41Å; E616-Q631 PolarHBondContact OE2-NE2 3.25Å
632P77.3Confident75.8Confident40 Ų4048.8 Ų48.826%0.2626%0.263SS..PPolyproline II helixtrans-61.4144.2177.98.1-6.5000111.9S615 H636 Y642S615-P632 PolarHBondContact OG-O 2.81Å; P632-H636 HydrophobicContact CB-CB 3.79Å; P632-Y642 WeakPolarHBondContact CA-OH 3.39Å
633S71.1Confident76Confident0 Ų041.9 Ų41.90%024%0.237CC..PPolyproline II helixtrans-52.6143.1169.2174.30000110.8F612 N635 H636F612-S633 VanDerWaalsContact O-CB 3.3Å; F612-S633 WeakPolarHBondContact O-CB 3.49Å; F612-S633 PolarHBondContact O-OG 2.93Å; S633-N635 PolarHBondContact O-N 2.86Å; S633-H636 WeakPolarHBondContact O-CA 3.13Å; S633-H636 WeakPolarHBondContact O-CB 3.15Å; S633-H636 PolarHBondContact O-N 3.16Å
634P66.5Low76.4Confident85 Ų8539.4 Ų39.455%0.55222%0.222SC*.THydrogen-bonded Turntrans-45.6-39.8175.6-3235.1000113.9F612 H636F612-P634 HydrophobicContact CB-CG 4.36Å; F612-P634 HydrophobicContact CD2-CB 4.2Å; P634-H636 VanDerWaalsContact C-N 3.33Å; P634-H636 PolarHBondContact O-N 2.59Å
635N65.8Low76.7Confident51 Ų5136.7 Ų36.727%0.27321%0.206SC..THydrogen-bonded Turntrans-91.230.1179.4-67.8-4.6000113.8V610 F612 S633 T637 L638V610-N635 PolarHBondContact O-ND2 3.22Å; F612-N635 HydrophobicContact CD2-CB 4.42Å; F612-N635 WeakPolarHBondContact CD2-ND2 3.35Å; F612-N635 VanDerWaalsContact CE2-ND2 3.35Å; F612-N635 WeakPolarHBondContact CE2-ND2 3.29Å; S633-N635 PolarHBondContact O-N 2.86Å; N635-T637 PolarHBondContact O-N 2.67Å; N635-L638 PolarHBondContact O-N 2.65Å; N635-L638 VanDerWaalsContact O-N 3.11Å
636H62Low77.1Confident86 Ų8637.4 Ų37.440%0.39821%0.206SC..THydrogen-bonded Turntrans-55.3-21.4-171.466-75.5000116.6P632 S633 P634 L638 V639 K670P632-H636 HydrophobicContact CB-CB 3.79Å; S633-H636 WeakPolarHBondContact O-CA 3.13Å; S633-H636 WeakPolarHBondContact O-CB 3.15Å; S633-H636 PolarHBondContact O-N 3.16Å; P634-H636 VanDerWaalsContact C-N 3.33Å; P634-H636 PolarHBondContact O-N 2.59Å; H636-L638 VanDerWaalsContact C-N 3.31Å; H636-L638 PolarHBondContact O-N 3.27Å; H636-V639 PolarHBondContact O-N 3.32Å; H636-K670 VanDerWaalsContact O-CE 3.25Å; H636-K670 WeakPolarHBondContact O-CE 3.42Å
637T63.9Low77.1Confident99 Ų9941.5 Ų41.561%0.60722%0.221SC*.THydrogen-bonded Turntrans-64.6-35.3177.6500000111.9N635 K670N635-T637 PolarHBondContact O-N 2.67Å; T637-K670 PolarHBondContact O-NZ 3.14Å
638L65.4Low76.7Confident93 Ų9342.2 Ų42.249%0.48722%0.223SC..SBendtrans-82.2-13-178.1-62.7171.2000114T609 N635 H636T609-L638 HydrophobicContact CG2-CD1 3.94Å; N635-L638 PolarHBondContact O-N 2.65Å; N635-L638 VanDerWaalsContact O-N 3.11Å; H636-L638 VanDerWaalsContact C-N 3.31Å; H636-L638 PolarHBondContact O-N 3.27Å
639V74Confident75.7Confident2 Ų243.2 Ų43.21%0.01223%0.232CC..  trans-77.4139.1-173.2176.10000111.9I611 H636 G641 K670 A692I611-V639 HydrophobicContact CG2-CG2 4.25Å; H636-V639 PolarHBondContact O-N 3.32Å; V639-G641 WeakPolarHBondContact CG1-O 3.22Å; V639-K670 WeakPolarHBondContact O-CD 3.45Å; V639-K670 WeakPolarHBondContact O-CE 3.35Å; V639-K670 PolarHBondContact O-NZ 3.15Å; V639-A692 HydrophobicContact CB-CB 4.38Å; V639-A692 HydrophobicContact CG1-CB 3.67Å; V639-A692 HydrophobicContact CG2-CB 3.73Å
640S77.7Confident74.6Confident53 Ų5349.5 Ų49.537%0.37126%0.258SS..  trans-91.3-32.4173.8-67.80000113.1F693S640-F693 WeakPolarHBondContact CA-O 3.25Å; S640-F693 WeakPolarHBondContact CB-O 3.2Å; S640-F693 PolarHBondContact N-O 3Å
641G82.5Confident73Confident1 Ų152.9 Ų52.91%0.0128%0.28CS..EExtended strand (participates in β ladder)trans-172.2-171.9175.500000112.9V639 L668 A692 F693V639-G641 WeakPolarHBondContact CG1-O 3.22Å; G641-L668 WeakPolarHBondContact CA-O 3.46Å; G641-A692 WeakPolarHBondContact O-CA 3.35Å; G641-F693 VanDerWaalsContact C-CD1 3.41Å; G641-F693 VanDerWaalsContact CA-CE1 3.5Å; G641-F693 PolarHBondContact N-O 2.94Å; G641-F693 WeakPolarHBondContact O-CD1 3.49Å; G641-F693 PolarHBondContact O-N 3.29Å
642Y85.8Confident71.4Confident2 Ų256.6 Ų56.61%0.00830%0.302CS..EExtended strand (participates in β ladder)trans-117147172.1-65.6-89.9000110.3P614 W630 P632 L668 V690 W691 A692 F693P614-Y642 HydrophobicContact CB-CE1 4.33Å; P614-Y642 HydrophobicContact CG-CD1 4.07Å; P614-Y642 HydrophobicContact CG-CE1 3.95Å; W630-Y642 HydrophobicContact CZ2-CG 4.45Å; W630-Y642 AromaticContact NE1-CD1 3.64Å; W630-Y642 AromaticContact NE1-CE1 3.74Å; W630-Y642 AromaticContact NE1-CG 3.83Å; P632-Y642 WeakPolarHBondContact CA-OH 3.39Å; Y642-L668 PolarHBondContact N-O 3.34Å; Y642-L668 WeakPolarHBondContact O-CA 3.4Å; Y642-L668 WeakPolarHBondContact O-CB 3.25Å; Y642-L668 PolarHBondContact O-N 2.83Å; Y642-V690 HydrophobicContact CD1-CG1 4.47Å; Y642-W691 CarbonylContact C-O 3.59Å; Y642-W691 VanDerWaalsContact CA-O 3.28Å; Y642-W691 WeakPolarHBondContact CA-O 3.32Å; Y642-A692 HydrophobicContact CD1-CB 4.11Å; Y642-A692 HydrophobicContact CE1-CB 3.9Å; Y642-F693 WeakPolarHBondContact O-CE1 3.5Å
643K82.3Confident69.6Low31 Ų3165.6 Ų65.614%0.13533%0.331CS..EExtended strand (participates in β ladder)trans-112.2135.9166.6-80.4163.3170.5174.60107.9T665 I666 R667 V690 W691 F693 D698K643-T665 HydrophobicContact CB-CG2 4.47Å; K643-I666 WeakPolarHBondContact CA-O 3.25Å; K643-R667 HydrophobicContact CG-CG 3.92Å; K643-V690 WeakPolarHBondContact O-CA 3.41Å; K643-W691 HydrophobicContact CB-CD2 3.74Å; K643-W691 VanDerWaalsContact CB-CE2 3.41Å; K643-W691 HydrophobicContact CB-CE3 4.19Å; K643-W691 HydrophobicContact CB-CG 4.27Å; K643-W691 HydrophobicContact CB-CH2 4.08Å; K643-W691 HydrophobicContact CB-CZ2 3.63Å; K643-W691 HydrophobicContact CB-CZ3 4.32Å; K643-W691 HydrophobicContact CD-CZ2 3.79Å; K643-W691 VanDerWaalsContact CD-NE1 3.35Å; K643-W691 HydrophobicContact CG-CZ2 4.29Å; K643-W691 PolarHBondContact N-O 3.14Å; K643-W691 PolarHBondContact O-N 3.01Å; K643-F693 HydrophobicContact CD-CD1 4.04Å; K643-F693 HydrophobicContact CD-CG 4.43Å; K643-F693 HydrophobicContact CG-CD1 3.78Å; K643-F693 HydrophobicContact CG-CE1 4.05Å; K643-D698 WeakPolarHBondContact CD-OD2 3.47Å; K643-D698 IonicContact NZ-OD1 2.67Å; K643-D698 PolarHBondContact NZ-OD1 3.07Å; K643-D698 IonicContact NZ-OD2 2.66Å; K643-D698 PolarHBondContact NZ-OD2 2.83Å
644L86.1Confident68.4Low0 Ų075.4 Ų75.40%037%0.374CS..EExtended strand (participates in β ladder)trans-121.5117.6175.8165.168.9000107V628 T665 I666 L668 H675 L677 V688 R689 V690V628-L644 HydrophobicContact CG1-CD1 4.11Å; V628-L644 HydrophobicContact CG2-CD1 4.41Å; L644-T665 CarbonylContact O-C 3.37Å; L644-T665 WeakPolarHBondContact O-CA 3.19Å; L644-I666 HydrophobicContact CB-CB 4.49Å; L644-I666 HydrophobicContact CD2-CD1 4.46Å; L644-I666 PolarHBondContact N-O 2.95Å; L644-I666 PolarHBondContact O-N 3.35Å; L644-L668 HydrophobicContact CB-CD1 3.96Å; L644-L668 HydrophobicContact CD2-CD1 4.33Å; L644-H675 HydrophobicContact CD2-CB 3.58Å; L644-H675 WeakPolarHBondContact CD2-CD2 3.22Å; L644-L677 HydrophobicContact CD2-CD2 3.97Å; L644-L677 HydrophobicContact CD2-CG 4.47Å; L644-V688 HydrophobicContact CD1-CG1 3.54Å; L644-R689 CarbonylContact C-O 3.45Å; L644-R689 WeakPolarHBondContact CA-O 3.16Å; L644-V690 HydrophobicContact CD1-CG2 3.68Å
645S81.7Confident67Low8 Ų877.5 Ų77.56%0.05639%0.385CS..EExtended strand (participates in β ladder)trans-114.3143.6171.271.30000112H664 T665 V688 R689 W691S645-H664 CarbonylContact C-O 3.5Å; S645-H664 WeakPolarHBondContact CA-O 3.46Å; S645-T665 WeakPolarHBondContact CB-OG1 3.47Å; S645-V688 CarbonylContact O-C 3.52Å; S645-V688 WeakPolarHBondContact O-CA 3.45Å; S645-R689 PolarHBondContact N-O 3.42Å; S645-R689 PolarHBondContact O-N 3.02Å; S645-W691 WeakPolarHBondContact OG-CZ3 3.11Å
646Y81.9Confident65.7Low42 Ų4281.1 Ų81.117%0.16541%0.409CS..EExtended strand (participates in β ladder)trans-130.8148.8168.170.4-80.2000111.7H664 I666 L677 L680 E687Y646-H664 HydrophobicContact CD1-CB 3.88Å; Y646-H664 HydrophobicContact CE1-CB 3.35Å; Y646-H664 HydrophobicContact CE2-CB 4.15Å; Y646-H664 HydrophobicContact CG-CB 4.47Å; Y646-H664 AromaticContact CZ-CG 3.82Å; Y646-H664 PolarHBondContact N-O 2.82Å; Y646-H664 PolarHBondContact O-N 2.88Å; Y646-I666 HydrophobicContact CE1-CD1 4.3Å; Y646-L677 HydrophobicContact CD1-CD1 3.88Å; Y646-L677 HydrophobicContact CD1-CD2 3.57Å; Y646-L677 HydrophobicContact CD1-CG 4.34Å; Y646-L677 HydrophobicContact CE1-CD2 3.69Å; Y646-L677 HydrophobicContact CG-CD1 3.86Å; Y646-L677 HydrophobicContact CG-CD2 4.35Å; Y646-L680 HydrophobicContact CD2-CD2 3.92Å; Y646-L680 HydrophobicContact CE2-CD2 3.65Å; Y646-E687 VanDerWaalsContact CA-O 3.31Å; Y646-E687 WeakPolarHBondContact CA-O 3.41Å
647R80.6Confident65Low85 Ų8588 Ų8832%0.32143%0.432SS..EExtended strand (participates in β ladder)trans-147.5149.4172.663.2-177.6-176.9169.25110.1Y686 E687R647-Y686 WeakPolarHBondContact O-CA 3.26Å; R647-E687 HydrophobicContact CG-CB 4.12Å; R647-E687 IonicContact CZ-OE2 3.87Å; R647-E687 PolarHBondContact N-O 3.16Å; R647-E687 VanDerWaalsContact N-O 3.09Å; R647-E687 IonicContact NE-OE2 2.79Å; R647-E687 PolarHBondContact NE-OE2 3.02Å; R647-E687 VanDerWaalsContact NE-OE2 3.09Å; R647-E687 IonicContact NH2-OE1 3.55Å; R647-E687 IonicContact NH2-OE2 2.72Å; R647-E687 PolarHBondContact NH2-OE2 2.78Å; R647-E687 PolarHBondContact O-N 3.04Å
648E75.9Confident64.2Low68 Ų6890.7 Ų90.732%0.31844%0.442SS..EExtended strand (participates in β ladder)trans-66.7137.6164.6-167.7171-178.600108.5R684 Q685 Y686E648-R684 VanDerWaalsContact OE1-CD 3.27Å; E648-R684 WeakPolarHBondContact OE1-CD 3.42Å; E648-R684 WeakPolarHBondContact OE1-CG 3.45Å; E648-R684 IonicContact OE1-CZ 2.76Å; E648-R684 IonicContact OE1-NE 3.83Å; E648-R684 IonicContact OE1-NH1 3.62Å; E648-R684 PolarHBondContact OE1-NH1 2.79Å; E648-Q685 WeakPolarHBondContact CA-O 3.37Å; E648-Y686 HydrophobicContact CB-CD1 4.28Å; E648-Y686 HydrophobicContact CB-CE1 3.95Å; E648-Y686 HydrophobicContact CG-CE1 4.39Å
649A64.5Low63.4Low21 Ų2197.2 Ų97.217%0.17446%0.461CS..PPolyproline II helixtrans-88136.9178.600000109.8T651 Q685A649-T651 PolarHBondContact O-N 3.36Å; A649-Q685 HydrophobicContact CB-CB 4.33Å; A649-Q685 HydrophobicContact CB-CG 4.15Å; A649-Q685 PolarHBondContact N-O 3.09Å
650E57.6Low62.3Low176 Ų176102.5 Ų102.582%0.82249%0.493SS*.PPolyproline II helixtrans-57.8121178.5-70.7170.8161.200110.7
651T50.6Low61.1Low81 Ų81102.6 Ų102.650%0.49749%0.493SS..PPolyproline II helixtrans-85.1126.417249.40000109.4A649 R653A649-T651 PolarHBondContact O-N 3.36Å; T651-R653 PolarHBondContact O-N 2.84Å
652D46.9Very low60Low164 Ų164109.1 Ų109.188%0.87752%0.523SS*.SBendtrans-73.855-171.2-16724.4000114.4
653R39.7Very low59.2Low230 Ų230112.3 Ų112.387%0.86854%0.542SS*.SBendtrans-145.5128.5168.7-69.8-164.6173.7174.5-2111.3T651T651-R653 PolarHBondContact O-N 2.84Å
654F45.2Very low58.7Low206 Ų206115.5 Ų115.590%0.90456%0.558SS**  trans-56.2128.6-179.1-73.7-103.8000114
655T36.8Very low58.3Low128 Ų128119.2 Ų119.279%0.78558%0.58SS**  -163.3114.6125.621.60000112.9
656T39Very low58.1Low128 Ų128121.1 Ų121.179%0.78559%0.589SS**  trans51118.4144.552.60000123.2
657R47.1Very low58Low229 Ų229127.4 Ų127.486%0.86461%0.613SS**SBendtrans70.2117.9145.1-77.5-176171.3166-2121R659R657-R659 PolarHBondContact O-N 3.05Å
658D47Very low58.1Low156 Ų156124.5 Ų124.583%0.83460%0.603SS**  trans47.858143.9-58-26.4000119.1
659R48.6Very low58.3Low231 Ų231131.8 Ų131.887%0.87263%0.628SS**  trans-138.3108.9149.1-74.1-166.8168.1169.6-3.3111.5R657R657-R659 PolarHBondContact O-N 3.05Å
660T50.5Low59.1Low112 Ų112135 Ų13569%0.68764%0.638SS**  trans-63133.9161.642.70000109.2H662T660-H662 PolarHBondContact O-N 2.86Å; T660-H662 PolarHBondContact O-ND1 2.82Å
661P53.4Low60.1Low56 Ų56135.8 Ų135.836%0.36464%0.639SS.*  trans-65111.4-17722.9-32000110.5T663P661-T663 PolarHBondContact O-N 3.01Å; P661-T663 PolarHBondContact O-OG1 2.95Å
662H58.3Low61.6Low138 Ų138132.9 Ų132.964%0.63962%0.623SS**  trans-6699.9-175.5-76.242.2000110.3T660 H664T660-H662 PolarHBondContact O-N 2.86Å; T660-H662 PolarHBondContact O-ND1 2.82Å; H662-H664 PolarHBondContact O-N 3Å; H662-H664 PolarHBondContact O-ND1 2.91Å
663T69.6Low63.4Low69 Ų69129.1 Ų129.142%0.42360%0.597SS.*  trans-78.1105.5-179.1-61.10000109.6P661P661-T663 PolarHBondContact O-N 3.01Å; P661-T663 PolarHBondContact O-OG1 2.95Å
664H70.7Confident65.5Low98 Ų98124.2 Ų124.245%0.45458%0.583SS.*EExtended strand (participates in β ladder)trans-82.5120.4-179.1-74.466.8000109.2S645 Y646 H662S645-H664 CarbonylContact C-O 3.5Å; S645-H664 WeakPolarHBondContact CA-O 3.46Å; Y646-H664 HydrophobicContact CD1-CB 3.88Å; Y646-H664 HydrophobicContact CE1-CB 3.35Å; Y646-H664 HydrophobicContact CE2-CB 4.15Å; Y646-H664 HydrophobicContact CG-CB 4.47Å; Y646-H664 AromaticContact CZ-CG 3.82Å; Y646-H664 PolarHBondContact N-O 2.82Å; Y646-H664 PolarHBondContact O-N 2.88Å; H662-H664 PolarHBondContact O-N 3Å; H662-H664 PolarHBondContact O-ND1 2.91Å
665T77.7Confident67.2Low77 Ų77117 Ų11747%0.47255%0.552SS.*EExtended strand (participates in β ladder)trans-117.7123.7-179.3-57.10000111.3K643 L644 S645 W691K643-T665 HydrophobicContact CB-CG2 4.47Å; L644-T665 CarbonylContact O-C 3.37Å; L644-T665 WeakPolarHBondContact O-CA 3.19Å; S645-T665 WeakPolarHBondContact CB-OG1 3.47Å; T665-W691 HydrophobicContact CG2-CH2 4.15Å; T665-W691 HydrophobicContact CG2-CZ2 4.44Å
666I77.9Confident69.4Low49 Ų49114.9 Ų114.925%0.25154%0.536SS..EExtended strand (participates in β ladder)trans-109.9125.2-176.2-52.6179000108.6K643 L644 Y646 L668 H675 L677K643-I666 WeakPolarHBondContact CA-O 3.25Å; L644-I666 HydrophobicContact CB-CB 4.49Å; L644-I666 HydrophobicContact CD2-CD1 4.46Å; L644-I666 PolarHBondContact N-O 2.95Å; L644-I666 PolarHBondContact O-N 3.35Å; Y646-I666 HydrophobicContact CE1-CD1 4.3Å; I666-L668 HydrophobicContact CG2-CD2 3.73Å; I666-L668 HydrophobicContact CG2-CG 4.3Å; I666-H675 WeakPolarHBondContact CD1-NE2 3.39Å; I666-L677 HydrophobicContact CD1-CD2 3.78Å
667R81.3Confident71.5Confident173 Ų173109 Ų10965%0.65350%0.499SS*.EExtended strand (participates in β ladder)trans-89.1129.5173.1-110.4-178.3169.1145.4-4.7110.3K643 F693K643-R667 HydrophobicContact CG-CG 3.92Å; R667-F693 HydrophobicContact CG-CE1 4.06Å; R667-F693 HydrophobicContact CG-CZ 4.16Å
668L81.4Confident72.9Confident24 Ų24102.1 Ų102.113%0.12648%0.483CS..EExtended strand (participates in β ladder)trans-123.6145.8-173.6-57.5176.3000111.2W630 G641 Y642 L644 I666 A672 H675W630-L668 HydrophobicContact CH2-CD1 3.51Å; W630-L668 HydrophobicContact CZ2-CD1 3.87Å; G641-L668 WeakPolarHBondContact CA-O 3.46Å; Y642-L668 PolarHBondContact N-O 3.34Å; Y642-L668 WeakPolarHBondContact O-CA 3.4Å; Y642-L668 WeakPolarHBondContact O-CB 3.25Å; Y642-L668 PolarHBondContact O-N 2.83Å; L644-L668 HydrophobicContact CB-CD1 3.96Å; L644-L668 HydrophobicContact CD2-CD1 4.33Å; I666-L668 HydrophobicContact CG2-CD2 3.73Å; I666-L668 HydrophobicContact CG2-CG 4.3Å; L668-A672 HydrophobicContact CB-CB 3.91Å; L668-A672 HydrophobicContact CD1-CB 4.49Å; L668-H675 HydrophobicContact CD1-CB 4.2Å
669R81.3Confident73.8Confident221 Ų22198.2 Ų98.283%0.83448%0.48SS*.EExtended strand (participates in β ladder)trans-66.5153-179.4-60.2179.9-179.1175.3-0.2111.3K671 A672R669-K671 PolarHBondContact O-N 2.82Å; R669-A672 VanDerWaalsContact O-CB 3.27Å; R669-A672 WeakPolarHBondContact O-CB 3.34Å; R669-A672 PolarHBondContact O-N 3.09Å
670K80.4Confident75.2Confident90 Ų9087.7 Ų87.739%0.39144%0.441SS..THydrogen-bonded Turntrans-48.7-29.1178-171.7175.8-174.7150.30115.5H636 T637 V639 R673H636-K670 VanDerWaalsContact O-CE 3.25Å; H636-K670 WeakPolarHBondContact O-CE 3.42Å; T637-K670 PolarHBondContact O-NZ 3.14Å; V639-K670 WeakPolarHBondContact O-CD 3.45Å; V639-K670 WeakPolarHBondContact O-CE 3.35Å; V639-K670 PolarHBondContact O-NZ 3.15Å; K670-R673 PolarHBondContact O-NH1 3.01Å
671K79.3Confident76.3Confident191 Ų19185.8 Ų85.883%0.8343%0.429SS*.THydrogen-bonded Turntrans-84.5-7177.9-67.2-170.8177.6-175.60114.7R669R669-K671 PolarHBondContact O-N 2.82Å
672A81.4Confident77.4Confident21 Ų2184.9 Ų84.917%0.17442%0.423CS..  trans-65.6136.5179.400000111.9W630 L668 R669W630-A672 HydrophobicContact CZ2-CB 4.07Å; W630-A672 PolarHBondContact NE1-O 3.34Å; L668-A672 HydrophobicContact CB-CB 3.91Å; L668-A672 HydrophobicContact CD1-CB 4.49Å; R669-A672 VanDerWaalsContact O-CB 3.27Å; R669-A672 WeakPolarHBondContact O-CB 3.34Å; R669-A672 PolarHBondContact O-N 3.09Å
673R84.8Confident78.3Confident84 Ų8480.9 Ų80.932%0.31741%0.406SS..  trans-131.3-5.5176.8-59.5-62.7177.6-94.9-1113T629 W630 K670T629-R673 WeakPolarHBondContact CA-O 3.33Å; W630-R673 PolarHBondContact N-O 2.94Å; K670-R673 PolarHBondContact O-NH1 3.01Å
674H84.9Confident78.6Confident127 Ų12782.7 Ų82.759%0.58841%0.405SS*.EExtended strand (participates in β ladder)trans-153.6161.6176.665.7-93.1000110.4V628 T629V628-H674 CarbonylContact O-C 3.59Å; V628-H674 WeakPolarHBondContact O-CA 3.25Å; V628-H674 WeakPolarHBondContact O-CB 3.41Å; T629-H674 HydrophobicContact CG2-CB 3.8Å
675H80.2Confident79Confident54 Ų5481.5 Ų81.525%0.2540%0.4CS..EExtended strand (participates in β ladder)trans-156.8138.5169.9-163.373.4000110V628 W630 L644 I666 L668V628-H675 PolarHBondContact N-O 2.82Å; V628-H675 PolarHBondContact O-N 2.82Å; W630-H675 HydrophobicContact CH2-CB 4.16Å; W630-H675 HydrophobicContact CZ3-CB 4.31Å; L644-H675 HydrophobicContact CD2-CB 3.58Å; L644-H675 WeakPolarHBondContact CD2-CD2 3.22Å; I666-H675 WeakPolarHBondContact CD1-NE2 3.39Å; L668-H675 HydrophobicContact CD1-CB 4.2Å
676L83.6Confident79.1Confident85 Ų8578.4 Ų78.445%0.44538%0.38SS..EExtended strand (participates in β ladder)trans-98.1115.9177.3-177.268.6000109.3N627 T678N627-L676 HydrophobicContact CB-CD1 3.8Å; L676-T678 HydrophobicContact CD2-CG2 3.85Å; L676-T678 HydrophobicContact CG-CG2 3.81Å
677L82.2Confident79.3Confident4 Ų476.4 Ų76.42%0.02137%0.369CS..EExtended strand (participates in β ladder)trans-84.9131.9168.9-59.2175.3000108.8T625 L626 V628 L644 Y646 I666 L680 V688T625-L677 CarbonylContact C-O 3.52Å; T625-L677 WeakPolarHBondContact CA-O 3.21Å; T625-L677 WeakPolarHBondContact CB-O 3.42Å; L626-L677 HydrophobicContact CB-CB 4.26Å; L626-L677 HydrophobicContact CB-CD1 4.41Å; L626-L677 PolarHBondContact N-O 3.31Å; L626-L677 PolarHBondContact O-N 2.78Å; V628-L677 HydrophobicContact CG2-CD1 4.02Å; V628-L677 HydrophobicContact CG2-CG 4.3Å; L644-L677 HydrophobicContact CD2-CD2 3.97Å; L644-L677 HydrophobicContact CD2-CG 4.47Å; Y646-L677 HydrophobicContact CD1-CD1 3.88Å; Y646-L677 HydrophobicContact CD1-CD2 3.57Å; Y646-L677 HydrophobicContact CD1-CG 4.34Å; Y646-L677 HydrophobicContact CE1-CD2 3.69Å; Y646-L677 HydrophobicContact CG-CD1 3.86Å; Y646-L677 HydrophobicContact CG-CD2 4.35Å; I666-L677 HydrophobicContact CD1-CD2 3.78Å; L677-L680 HydrophobicContact CB-CD1 4.03Å; L677-V688 HydrophobicContact CD1-CG2 4.19Å
678T76.2Confident79.3Confident85 Ų8568.2 Ų68.252%0.52134%0.338SS..EExtended strand (participates in β ladder)trans-130.3161.6-176.2590000111.6T625 L676T625-T678 HydrophobicContact CG2-CG2 3.9Å; L676-T678 HydrophobicContact CD2-CG2 3.85Å; L676-T678 HydrophobicContact CG-CG2 3.81Å
679G66.1Low79.5Confident74 Ų7471.7 Ų71.776%0.76335%0.35SS*.SBendtrans75.824.9179.800000114T624T624-G679 PolarHBondContact O-N 3.25Å
680L78.1Confident79.6Confident10 Ų1061.2 Ų61.25%0.05231%0.31CS..PPolyproline II helixtrans-85.3153.3178.3-56.7173.9000110.8T624 L626 Y646 L677 Y686 T708T624-L680 VanDerWaalsContact CA-O 3.31Å; T624-L680 WeakPolarHBondContact CA-O 3.5Å; T624-L680 WeakPolarHBondContact CB-O 3.48Å; T624-L680 WeakPolarHBondContact CG2-O 3.44Å; T624-L680 PolarHBondContact O-N 2.97Å; L626-L680 HydrophobicContact CB-CD1 4.02Å; L626-L680 HydrophobicContact CD1-CD1 3.67Å; L626-L680 HydrophobicContact CG-CD1 3.49Å; L626-L680 VanDerWaalsContact CG-CD1 3.49Å; Y646-L680 HydrophobicContact CD2-CD2 3.92Å; Y646-L680 HydrophobicContact CE2-CD2 3.65Å; L677-L680 HydrophobicContact CB-CD1 4.03Å; L680-Y686 HydrophobicContact CB-CE2 3.98Å; L680-Y686 HydrophobicContact CD2-CD1 4.41Å; L680-Y686 HydrophobicContact CD2-CE1 3.94Å; L680-Y686 HydrophobicContact CD2-CE2 4.45Å; L680-T708 HydrophobicContact CB-CG2 3.97Å; L680-T708 HydrophobicContact CD1-CG2 4.31Å
681V73.3Confident79.7Confident72 Ų7258.5 Ų58.544%0.43630%0.297SS..PPolyproline II helixtrans-81.3137.3-178.8-1750000109.6R684 Y686 T708V681-R684 HydrophobicContact CB-CB 4.2Å; V681-R684 HydrophobicContact CB-CG 3.64Å; V681-R684 HydrophobicContact CG1-CG 3.58Å; V681-Y686 PolarHBondContact N-OH 3.19Å; V681-T708 PolarHBondContact O-OG1 2.58Å
682P76.7Confident79.8Confident36 Ų3649.4 Ų49.423%0.23426%0.258CS..THydrogen-bonded Turntrans-65.4149.5176.4-21.734000114V623 T624 R684 I711V623-P682 HydrophobicContact CG1-CB 3.93Å; V623-P682 HydrophobicContact CG1-CG 3.8Å; V623-P682 VanDerWaalsContact O-CA 3.27Å; V623-P682 WeakPolarHBondContact O-CA 3.2Å; V623-P682 WeakPolarHBondContact O-CG 3.28Å; T624-P682 HydrophobicContact CG2-CG 4.03Å; P682-R684 PolarHBondContact O-N 2.65Å; P682-R684 VanDerWaalsContact O-N 3.1Å; P682-I711 HydrophobicContact CB-CD1 4.35Å; P682-I711 HydrophobicContact CB-CG1 3.82Å; P682-I711 HydrophobicContact CG-CD1 4.02Å; P682-I711 HydrophobicContact CG-CG1 3.82Å
683D76.9Confident79.8Confident55 Ų5549.5 Ų49.529%0.29426%0.255SS..THydrogen-bonded Turntrans50.824.7-175.5-162.823.3000115R707 T708 D709 K710D683-R707 IonicContact OD1-CZ 3.38Å; D683-R707 IonicContact OD1-NH1 2.73Å; D683-R707 PolarHBondContact OD1-NH1 3.12Å; D683-R707 IonicContact OD2-NH1 3.29Å; D683-T708 WeakPolarHBondContact CA-O 3.23Å; D683-T708 PolarHBondContact N-O 2.97Å; D683-T708 PolarHBondContact N-OG1 3.27Å; D683-D709 PolarHBondContact N-O 2.86Å; D683-K710 HydrophobicContact CB-CG 3.68Å; D683-K710 WeakPolarHBondContact OD1-CE 3.47Å; D683-K710 WeakPolarHBondContact OD2-CE 3.47Å; D683-K710 IonicContact OD2-NZ 2.72Å
684R76Confident79.5Confident107 Ų10746.8 Ų46.840%0.40425%0.246SC..  trans-100.9143.9174.7-67.6-52.3-172.5120.9-13.3111.2E648 V681 P682 Y686 R707 T708E648-R684 VanDerWaalsContact OE1-CD 3.27Å; E648-R684 WeakPolarHBondContact OE1-CD 3.42Å; E648-R684 WeakPolarHBondContact OE1-CG 3.45Å; E648-R684 IonicContact OE1-CZ 2.76Å; E648-R684 IonicContact OE1-NE 3.83Å; E648-R684 IonicContact OE1-NH1 3.62Å; E648-R684 PolarHBondContact OE1-NH1 2.79Å; V681-R684 HydrophobicContact CB-CB 4.2Å; V681-R684 HydrophobicContact CB-CG 3.64Å; V681-R684 HydrophobicContact CG1-CG 3.58Å; P682-R684 PolarHBondContact O-N 2.65Å; P682-R684 VanDerWaalsContact O-N 3.1Å; R684-Y686 HydrophobicContact CB-CD2 4.47Å; R684-Y686 HydrophobicContact CB-CE2 3.72Å; R684-Y686 VanDerWaalsContact O-CD2 3.32Å; R684-Y686 WeakPolarHBondContact O-CD2 3.2Å; R684-R707 VanDerWaalsContact O-CA 3.29Å; R684-R707 WeakPolarHBondContact O-CA 3.16Å; R684-T708 PolarHBondContact N-OG1 3.27Å; R684-T708 VanDerWaalsContact N-OG1 3.1Å; R684-T708 PolarHBondContact O-N 3Å; R684-T708 PolarHBondContact O-OG1 3.26Å
685Q80.4Confident78.9Confident72 Ų7250.1 Ų50.134%0.33626%0.259SS..EExtended strand (participates in β ladder)trans-90.3125.1-176.3-167.8164.2-30.400109.1E648 A649 G706 R707E648-Q685 WeakPolarHBondContact CA-O 3.37Å; A649-Q685 HydrophobicContact CB-CB 4.33Å; A649-Q685 HydrophobicContact CB-CG 4.15Å; A649-Q685 PolarHBondContact N-O 3.09Å; Q685-G706 WeakPolarHBondContact CA-O 3.25Å; Q685-R707 HydrophobicContact CB-CG 3.99Å; Q685-R707 HydrophobicContact CG-CG 4.21Å
686Y78.1Confident78.3Confident13 Ų1356.5 Ų56.55%0.05129%0.289CS..EExtended strand (participates in β ladder)trans-119.6141.7-177.8-70.2-79.8000110.7L626 R647 E648 L680 V681 R684 K705 G706 T708L626-Y686 HydrophobicContact CD1-CD2 4.49Å; L626-Y686 HydrophobicContact CD1-CG 4.43Å; R647-Y686 WeakPolarHBondContact O-CA 3.26Å; E648-Y686 HydrophobicContact CB-CD1 4.28Å; E648-Y686 HydrophobicContact CB-CE1 3.95Å; E648-Y686 HydrophobicContact CG-CE1 4.39Å; L680-Y686 HydrophobicContact CB-CE2 3.98Å; L680-Y686 HydrophobicContact CD2-CD1 4.41Å; L680-Y686 HydrophobicContact CD2-CE1 3.94Å; L680-Y686 HydrophobicContact CD2-CE2 4.45Å; V681-Y686 PolarHBondContact N-OH 3.19Å; R684-Y686 HydrophobicContact CB-CD2 4.47Å; R684-Y686 HydrophobicContact CB-CE2 3.72Å; R684-Y686 VanDerWaalsContact O-CD2 3.32Å; R684-Y686 WeakPolarHBondContact O-CD2 3.2Å; Y686-K705 WeakPolarHBondContact O-CA 3.44Å; Y686-G706 PolarHBondContact N-O 3.46Å; Y686-G706 PolarHBondContact O-N 3.04Å; Y686-T708 HydrophobicContact CD2-CG2 3.94Å; Y686-T708 HydrophobicContact CE2-CG2 3.8Å
687E82.9Confident77.7Confident7 Ų756 Ų563%0.03328%0.283CS..EExtended strand (participates in β ladder)trans-103.1120.6165.5-178.3176.8176.400108.6Y646 R647 R689 V703 K705Y646-E687 VanDerWaalsContact CA-O 3.31Å; Y646-E687 WeakPolarHBondContact CA-O 3.41Å; R647-E687 HydrophobicContact CG-CB 4.12Å; R647-E687 IonicContact CZ-OE2 3.87Å; R647-E687 PolarHBondContact N-O 3.16Å; R647-E687 VanDerWaalsContact N-O 3.09Å; R647-E687 IonicContact NE-OE2 2.79Å; R647-E687 PolarHBondContact NE-OE2 3.02Å; R647-E687 VanDerWaalsContact NE-OE2 3.09Å; R647-E687 IonicContact NH2-OE1 3.55Å; R647-E687 IonicContact NH2-OE2 2.72Å; R647-E687 PolarHBondContact NH2-OE2 2.78Å; R647-E687 PolarHBondContact O-N 3.04Å; E687-R689 HydrophobicContact CG-CG 4.38Å; E687-R689 IonicContact OE1-CZ 2.7Å; E687-R689 IonicContact OE1-NE 3.71Å; E687-R689 PolarHBondContact OE1-NE 3.17Å; E687-R689 IonicContact OE1-NH2 3.18Å; E687-R689 PolarHBondContact OE1-NH2 3.21Å; E687-V703 HydrophobicContact CG-CG1 4.01Å; E687-K705 HydrophobicContact CB-CG 4.06Å; E687-K705 HydrophobicContact CG-CD 4.45Å; E687-K705 HydrophobicContact CG-CG 3.9Å; E687-K705 WeakPolarHBondContact OE2-CE 3.41Å; E687-K705 IonicContact OE2-NZ 3.88Å
688V80.4Confident77.4Confident0 Ų059.4 Ų59.40%030%0.302CS..EExtended strand (participates in β ladder)trans-111.9130.5177.51790000108.4L626 V628 L644 S645 L677 V703 W704L626-V688 HydrophobicContact CD1-CG2 3.95Å; V628-V688 HydrophobicContact CG1-CG1 4.11Å; V628-V688 HydrophobicContact CG2-CG1 3.96Å; L644-V688 HydrophobicContact CD1-CG1 3.54Å; S645-V688 CarbonylContact O-C 3.52Å; S645-V688 WeakPolarHBondContact O-CA 3.45Å; L677-V688 HydrophobicContact CD1-CG2 4.19Å; V688-V703 WeakPolarHBondContact O-CA 3.36Å; V688-W704 HydrophobicContact CB-CB 4.49Å; V688-W704 HydrophobicContact CB-CE3 4.1Å; V688-W704 HydrophobicContact CG2-CE3 3.83Å; V688-W704 HydrophobicContact CG2-CZ3 4.17Å; V688-W704 PolarHBondContact N-O 2.6Å; V688-W704 PolarHBondContact O-N 3.19Å
689R85.6Confident77.3Confident98 Ų9856.2 Ų56.237%0.3729%0.286SS..EExtended strand (participates in β ladder)trans-124.8134.3176.9-55.7-174173.5-171.7-2.9110.1L644 S645 E687 W691 A701 A702 V703L644-R689 CarbonylContact C-O 3.45Å; L644-R689 WeakPolarHBondContact CA-O 3.16Å; S645-R689 PolarHBondContact N-O 3.42Å; S645-R689 PolarHBondContact O-N 3.02Å; E687-R689 HydrophobicContact CG-CG 4.38Å; E687-R689 IonicContact OE1-CZ 2.7Å; E687-R689 IonicContact OE1-NE 3.71Å; E687-R689 PolarHBondContact OE1-NE 3.17Å; E687-R689 IonicContact OE1-NH2 3.18Å; E687-R689 PolarHBondContact OE1-NH2 3.21Å; R689-W691 HydrophobicContact CB-CE3 4.09Å; R689-W691 HydrophobicContact CB-CZ3 3.85Å; R689-A701 HydrophobicContact CB-CB 4.33Å; R689-A702 CarbonylContact C-O 3.59Å; R689-A702 WeakPolarHBondContact CA-O 3.19Å; R689-V703 HydrophobicContact CG-CG1 4.19Å; R689-V703 HydrophobicContact CG-CG2 4.05Å
690V83.4Confident77.6Confident0 Ų055.3 Ų55.30%027%0.271CS..EExtended strand (participates in β ladder)trans-126124.9174.3-167.20000109.7P614 L617 V628 W630 Y642 K643 L644 A701 A702P614-V690 VanDerWaalsContact CD-O 3.3Å; P614-V690 WeakPolarHBondContact CD-O 3.49Å; P614-V690 HydrophobicContact CG-CB 4.32Å; P614-V690 HydrophobicContact CG-CG1 3.97Å; L617-V690 HydrophobicContact CD1-CB 4.28Å; L617-V690 HydrophobicContact CD1-CG2 3.56Å; L617-V690 HydrophobicContact CD2-CG2 4.39Å; V628-V690 HydrophobicContact CG1-CG2 3.91Å; W630-V690 HydrophobicContact CD2-CG1 3.9Å; W630-V690 HydrophobicContact CE3-CG1 4.15Å; W630-V690 HydrophobicContact CE3-CG2 4.3Å; W630-V690 HydrophobicContact CG-CG1 4.29Å; W630-V690 HydrophobicContact CZ2-CG1 4.36Å; Y642-V690 HydrophobicContact CD1-CG1 4.47Å; K643-V690 WeakPolarHBondContact O-CA 3.41Å; L644-V690 HydrophobicContact CD1-CG2 3.68Å; V690-A701 WeakPolarHBondContact O-CA 3.42Å; V690-A702 PolarHBondContact N-O 2.97Å; V690-A702 PolarHBondContact O-N 3.14Å
691W84.3Confident77.5Confident33 Ų3356.8 Ų56.813%0.12529%0.285CS..EExtended strand (participates in β ladder)trans-135.4151.5175.761.7111.1000111.8Y642 K643 S645 T665 R689 D698 A700 A701Y642-W691 CarbonylContact C-O 3.59Å; Y642-W691 VanDerWaalsContact CA-O 3.28Å; Y642-W691 WeakPolarHBondContact CA-O 3.32Å; K643-W691 HydrophobicContact CB-CD2 3.74Å; K643-W691 VanDerWaalsContact CB-CE2 3.41Å; K643-W691 HydrophobicContact CB-CE3 4.19Å; K643-W691 HydrophobicContact CB-CG 4.27Å; K643-W691 HydrophobicContact CB-CH2 4.08Å; K643-W691 HydrophobicContact CB-CZ2 3.63Å; K643-W691 HydrophobicContact CB-CZ3 4.32Å; K643-W691 HydrophobicContact CD-CZ2 3.79Å; K643-W691 VanDerWaalsContact CD-NE1 3.35Å; K643-W691 HydrophobicContact CG-CZ2 4.29Å; K643-W691 PolarHBondContact N-O 3.14Å; K643-W691 PolarHBondContact O-N 3.01Å; S645-W691 WeakPolarHBondContact OG-CZ3 3.11Å; T665-W691 HydrophobicContact CG2-CH2 4.15Å; T665-W691 HydrophobicContact CG2-CZ2 4.44Å; R689-W691 HydrophobicContact CB-CE3 4.09Å; R689-W691 HydrophobicContact CB-CZ3 3.85Å; W691-D698 PolarHBondContact NE1-OD2 3.18Å; W691-A700 WeakPolarHBondContact CB-O 3.33Å; W691-A701 HydrophobicContact CB-CB 4.02Å; W691-A701 HydrophobicContact CE3-CB 4.31Å
692A81.4Confident77.6Confident0 Ų054.1 Ų54.10%027%0.27CS..EExtended strand (participates in β ladder)trans-82.8151.4168.600000110I611 V639 G641 Y642 G699I611-A692 HydrophobicContact CG2-CB 3.55Å; V639-A692 HydrophobicContact CB-CB 4.38Å; V639-A692 HydrophobicContact CG1-CB 3.67Å; V639-A692 HydrophobicContact CG2-CB 3.73Å; G641-A692 WeakPolarHBondContact O-CA 3.35Å; Y642-A692 HydrophobicContact CD1-CB 4.11Å; Y642-A692 HydrophobicContact CE1-CB 3.9Å; A692-G699 WeakPolarHBondContact O-CA 3.44Å; A692-G699 PolarHBondContact O-N 2.86Å
693F81.3Confident77.7Confident24 Ų2456 Ų5611%0.10528%0.28CS..EExtended strand (participates in β ladder)trans-137.1150.6174.371.4-90.9000111.5S640 G641 Y642 K643 R667 D698S640-F693 WeakPolarHBondContact CA-O 3.25Å; S640-F693 WeakPolarHBondContact CB-O 3.2Å; S640-F693 PolarHBondContact N-O 3Å; G641-F693 VanDerWaalsContact C-CD1 3.41Å; G641-F693 VanDerWaalsContact CA-CE1 3.5Å; G641-F693 PolarHBondContact N-O 2.94Å; G641-F693 WeakPolarHBondContact O-CD1 3.49Å; G641-F693 PolarHBondContact O-N 3.29Å; Y642-F693 WeakPolarHBondContact O-CE1 3.5Å; K643-F693 HydrophobicContact CD-CD1 4.04Å; K643-F693 HydrophobicContact CD-CG 4.43Å; K643-F693 HydrophobicContact CG-CD1 3.78Å; K643-F693 HydrophobicContact CG-CE1 4.05Å; R667-F693 HydrophobicContact CG-CE1 4.06Å; R667-F693 HydrophobicContact CG-CZ 4.16Å; F693-D698 WeakPolarHBondContact CB-OD1 3.41Å
694D78.4Confident78Confident27 Ų2755.8 Ų55.814%0.14428%0.276CS..  trans-107.6-154.117573.916.8000112.2I611 Q696 K697I611-D694 HydrophobicContact CD1-CB 3.8Å; D694-Q696 PolarHBondContact OD1-N 2.63Å; D694-K697 PolarHBondContact N-O 2.9Å; D694-K697 PolarHBondContact OD1-N 2.57Å
695K70.9Confident78.1Confident197 Ų19756.9 Ų56.986%0.85728%0.283SS*.SBendtrans-79.6-16.4178.2-71.5-173.5177.8-178.90114.2
696Q68.9Low77.6Confident187 Ų18754.3 Ų54.387%0.87428%0.276SS*.SBendtrans-126.1-29.1-169.4-68.6179.2-14.800113.4D694D694-Q696 PolarHBondContact OD1-N 2.63Å
697K70.1Confident77.6Confident74 Ų7459.3 Ų59.332%0.32230%0.295SS..  trans-146.6159.5-174.764.2-175.4-178.6-177.30114.4S608 T609 I611 D694S608-K697 PolarHBondContact O-NZ 3.42Å; T609-K697 VanDerWaalsContact O-CE 3.27Å; T609-K697 WeakPolarHBondContact O-CE 3.36Å; T609-K697 PolarHBondContact O-NZ 2.97Å; I611-K697 HydrophobicContact CD1-CG 4.17Å; D694-K697 PolarHBondContact N-O 2.9Å; D694-K697 PolarHBondContact OD1-N 2.57Å
698D76.9Confident77.1Confident77 Ų7759.1 Ų59.141%0.41229%0.294SS..EExtended strand (participates in β ladder)trans-90.4142.3169.4-79.40.1000110K643 W691 F693K643-D698 WeakPolarHBondContact CD-OD2 3.47Å; K643-D698 IonicContact NZ-OD1 2.67Å; K643-D698 PolarHBondContact NZ-OD1 3.07Å; K643-D698 IonicContact NZ-OD2 2.66Å; K643-D698 PolarHBondContact NZ-OD2 2.83Å; W691-D698 PolarHBondContact NE1-OD2 3.18Å; F693-D698 WeakPolarHBondContact CB-OD1 3.41Å
699G74.1Confident76.9Confident18 Ų1861.7 Ų61.719%0.18631%0.308CS..EExtended strand (participates in β ladder)trans-88.1-178.5176.400000114.2I611 A692I611-G699 WeakPolarHBondContact O-CA 3.44Å; A692-G699 WeakPolarHBondContact O-CA 3.44Å; A692-G699 PolarHBondContact O-N 2.86Å
700A72.5Confident76.1Confident54 Ų5462.9 Ų62.945%0.44632%0.315SS..EExtended strand (participates in β ladder)trans-62.8145.2175.500000111.5I611 A613 W691I611-A700 PolarHBondContact O-N 2.8Å; A613-A700 VanDerWaalsContact CA-O 3.29Å; A613-A700 WeakPolarHBondContact CA-O 3.29Å; A613-A700 HydrophobicContact CB-CB 4.15Å; W691-A700 WeakPolarHBondContact CB-O 3.33Å
701A75.8Confident75Confident42 Ų4269 Ų6935%0.34735%0.346SS..EExtended strand (participates in β ladder)trans-98.3130.1179.800000112.1R689 V690 W691 V703R689-A701 HydrophobicContact CB-CB 4.33Å; V690-A701 WeakPolarHBondContact O-CA 3.42Å; W691-A701 HydrophobicContact CB-CB 4.02Å; W691-A701 HydrophobicContact CE3-CB 4.31Å; A701-V703 HydrophobicContact CB-CG2 4.39Å
702A74.3Confident73.2Confident15 Ų1574.7 Ų74.712%0.12437%0.374CS..EExtended strand (participates in β ladder)trans-74.4132.3157.500000107.9A613 L617 R689 V690A613-A702 HydrophobicContact CB-CB 4.31Å; L617-A702 HydrophobicContact CB-CB 3.89Å; L617-A702 HydrophobicContact CD2-CB 3.74Å; L617-A702 WeakPolarHBondContact CD2-O 3.44Å; L617-A702 HydrophobicContact CG-CB 4.38Å; R689-A702 CarbonylContact C-O 3.59Å; R689-A702 WeakPolarHBondContact CA-O 3.19Å; V690-A702 PolarHBondContact N-O 2.97Å; V690-A702 PolarHBondContact O-N 3.14Å
703V79.8Confident71.2Confident75 Ų7577.5 Ų77.546%0.45540%0.403SS..EExtended strand (participates in β ladder)trans-120.8132.8-175.3-174.20000109.7E687 V688 R689 A701E687-V703 HydrophobicContact CG-CG1 4.01Å; V688-V703 WeakPolarHBondContact O-CA 3.36Å; R689-V703 HydrophobicContact CG-CG1 4.19Å; R689-V703 HydrophobicContact CG-CG2 4.05Å; A701-V703 HydrophobicContact CB-CG2 4.39Å
704W81.8Confident68.7Low52 Ų5287.8 Ų87.820%0.19744%0.441CS..EExtended strand (participates in β ladder)trans-119.9137.7168.8177.190.2000109.1L617 V619 T621 L626 V688 G706L617-W704 HydrophobicContact CD2-CB 3.91Å; L617-W704 HydrophobicContact CG-CB 4.43Å; V619-W704 HydrophobicContact CB-CD2 3.71Å; V619-W704 HydrophobicContact CB-CE3 4.23Å; V619-W704 HydrophobicContact CB-CG 3.97Å; V619-W704 HydrophobicContact CB-CZ2 4.06Å; V619-W704 HydrophobicContact CG1-CD2 4.11Å; V619-W704 HydrophobicContact CG1-CE3 4.15Å; V619-W704 HydrophobicContact CG1-CH2 4.04Å; V619-W704 HydrophobicContact CG1-CZ2 4.02Å; V619-W704 HydrophobicContact CG1-CZ3 4.12Å; V619-W704 HydrophobicContact CG2-CB 3.84Å; V619-W704 HydrophobicContact CG2-CD2 3.62Å; V619-W704 HydrophobicContact CG2-CE3 4.07Å; V619-W704 HydrophobicContact CG2-CG 3.51Å; T621-W704 HydrophobicContact CG2-CH2 3.75Å; T621-W704 HydrophobicContact CG2-CZ2 3.68Å; L626-W704 HydrophobicContact CD1-CH2 4.33Å; L626-W704 HydrophobicContact CD1-CZ3 3.82Å; L626-W704 HydrophobicContact CD2-CH2 3.89Å; L626-W704 HydrophobicContact CD2-CZ3 4.22Å; V688-W704 HydrophobicContact CB-CB 4.49Å; V688-W704 HydrophobicContact CB-CE3 4.1Å; V688-W704 HydrophobicContact CG2-CE3 3.83Å; V688-W704 HydrophobicContact CG2-CZ3 4.17Å; V688-W704 PolarHBondContact N-O 2.6Å; V688-W704 PolarHBondContact O-N 3.19Å; W704-G706 VanDerWaalsContact CH2-CA 3.42Å
705K78.1Confident66.6Low130 Ų13091.9 Ų91.957%0.56547%0.47SS*.EExtended strand (participates in β ladder)trans-127.6130.9171.3-72.7-178.3175.6-178.30108.2Y686 E687Y686-K705 WeakPolarHBondContact O-CA 3.44Å; E687-K705 HydrophobicContact CB-CG 4.06Å; E687-K705 HydrophobicContact CG-CD 4.45Å; E687-K705 HydrophobicContact CG-CG 3.9Å; E687-K705 WeakPolarHBondContact OE2-CE 3.41Å; E687-K705 IonicContact OE2-NZ 3.88Å
706G69.7Low64.9Low17 Ų1788.2 Ų88.218%0.17547%0.469CS..EExtended strand (participates in β ladder)trans-174.8-179.617900000111.6Q685 Y686 W704Q685-G706 WeakPolarHBondContact CA-O 3.25Å; Y686-G706 PolarHBondContact N-O 3.46Å; Y686-G706 PolarHBondContact O-N 3.04Å; W704-G706 VanDerWaalsContact CH2-CA 3.42Å
707R78.6Confident63.1Low119 Ų11982.1 Ų82.145%0.44946%0.456SS..EExtended strand (participates in β ladder)trans-104.6150.5-179.9-68.4-175.6176-146.40.4111.7T621 D683 R684 Q685T621-R707 WeakPolarHBondContact CG2-O 3.22Å; D683-R707 IonicContact OD1-CZ 3.38Å; D683-R707 IonicContact OD1-NH1 2.73Å; D683-R707 PolarHBondContact OD1-NH1 3.12Å; D683-R707 IonicContact OD2-NH1 3.29Å; R684-R707 VanDerWaalsContact O-CA 3.29Å; R684-R707 WeakPolarHBondContact O-CA 3.16Å; Q685-R707 HydrophobicContact CB-CG 3.99Å; Q685-R707 HydrophobicContact CG-CG 4.21Å
708T73.8Confident61.9Low3 Ų385.2 Ų85.22%0.01848%0.484CS..PPolyproline II helixtrans-66.1151.4157.142.60000109.9L626 L680 V681 D683 R684 Y686L626-T708 HydrophobicContact CD2-CG2 4.22Å; L626-T708 HydrophobicContact CG-CG2 4.39Å; L680-T708 HydrophobicContact CB-CG2 3.97Å; L680-T708 HydrophobicContact CD1-CG2 4.31Å; V681-T708 PolarHBondContact O-OG1 2.58Å; D683-T708 WeakPolarHBondContact CA-O 3.23Å; D683-T708 PolarHBondContact N-O 2.97Å; D683-T708 PolarHBondContact N-OG1 3.27Å; R684-T708 PolarHBondContact N-OG1 3.27Å; R684-T708 VanDerWaalsContact N-OG1 3.1Å; R684-T708 PolarHBondContact O-N 3Å; R684-T708 PolarHBondContact O-OG1 3.26Å; Y686-T708 HydrophobicContact CD2-CG2 3.94Å; Y686-T708 HydrophobicContact CE2-CG2 3.8Å
709D74.4Confident60.3Low54 Ų5486.1 Ų86.129%0.28950%0.496SS..PPolyproline II helixtrans-65.2148.5-178.3-54.1-13.7000110.4T621 R622 V623 D683T621-D709 WeakPolarHBondContact CB-OD1 3.44Å; T621-D709 PolarHBondContact OG1-OD1 2.99Å; R622-D709 WeakPolarHBondContact CA-OD2 3.48Å; R622-D709 PolarHBondContact O-N 3.08Å; V623-D709 WeakPolarHBondContact CA-O 3.3Å; V623-D709 HydrophobicContact CG2-CB 4.14Å; D683-D709 PolarHBondContact N-O 2.86Å
710K69.3Low58.9Low123 Ų12387.9 Ų87.954%0.53551%0.506SS..PPolyproline II helixtrans-63.5143.8170.2-78.2169.5174.1178.80110.1D683 H712D683-K710 HydrophobicContact CB-CG 3.68Å; D683-K710 WeakPolarHBondContact OD1-CE 3.47Å; D683-K710 WeakPolarHBondContact OD2-CE 3.47Å; D683-K710 IonicContact OD2-NZ 2.72Å; K710-H712 PolarHBondContact O-N 2.86Å; K710-H712 PolarHBondContact O-ND1 3.11Å
711I60.1Low58Low127 Ų12787 Ų8765%0.65150%0.496SS*.  trans-57.7115.2160.2-61.2174.3000106.2V623 P682 G713V623-I711 HydrophobicContact CG1-CG1 3.74Å; P682-I711 HydrophobicContact CB-CD1 4.35Å; P682-I711 HydrophobicContact CB-CG1 3.82Å; P682-I711 HydrophobicContact CG-CD1 4.02Å; P682-I711 HydrophobicContact CG-CG1 3.82Å; I711-G713 VanDerWaalsContact C-N 3.27Å; I711-G713 PolarHBondContact O-N 3.5Å
712H47.3Very low57.1Low154 Ų15487.3 Ų87.371%0.71350%0.495SS*.  trans-74.284.8179.1-78.451.1000109.6K710 R714K710-H712 PolarHBondContact O-N 2.86Å; K710-H712 PolarHBondContact O-ND1 3.11Å; H712-R714 PolarHBondContact O-N 2.88Å
713G39.3Very low56.6Low59 Ų5986.6 Ų86.661%0.60849%0.489SS*.PPolyproline II helixtrans-57.2128.3148.300000107.9I711I711-G713 VanDerWaalsContact C-N 3.27Å; I711-G713 PolarHBondContact O-N 3.5Å
714R29.7Very low56.2Low239 Ų23986 Ų8690%0.90248%0.483SS*.PPolyproline II helixtrans-48.1127.8-178.7-165.4-177.7-158.8179.65.6109.8H712 S716H712-R714 PolarHBondContact O-N 2.88Å; R714-S716 PolarHBondContact O-N 2.85Å; R714-S716 VanDerWaalsContact O-N 3.1Å
715P32.6Very low56Low114 Ų11485.1 Ų85.174%0.7448%0.484SS*.PPolyproline II helixtrans-58.6118.7-175.7-25.534000111.9G717P715-G717 VanDerWaalsContact C-N 3.31Å; P715-G717 PolarHBondContact O-N 3.11Å
716S35.1Very low56.1Low119 Ų11979.3 Ų79.383%0.83246%0.459SS*.  trans-80.582.5163.255.10000108.4R714R714-S716 PolarHBondContact O-N 2.85Å; R714-S716 VanDerWaalsContact O-N 3.1Å
717G31.2Very low56.5Low60 Ų6079.8 Ų79.862%0.61946%0.46SS*.  trans-72.1134.5173.900000111.3P715 S719P715-G717 VanDerWaalsContact C-N 3.31Å; P715-G717 PolarHBondContact O-N 3.11Å; G717-S719 PolarHBondContact O-N 2.99Å
718P45.5Very low56.6Low138 Ų13876.7 Ų76.790%0.89646%0.457SS*.SBendtrans-81.670.1168.135.2-33.2000109.5
719S42.5Very low57Low97 Ų9777.7 Ų77.768%0.67846%0.463SS*.  trans-138.773.5167.6-170.20000108.3G717G717-S719 PolarHBondContact O-N 2.99Å
720S45.8Very low57.4Low55 Ų5581 Ų8139%0.38548%0.476SS..  trans-91.6102.1173.556.90000108.6I803S720-I803 WeakPolarHBondContact O-CD1 3.21Å
721S54.1Low58.4Low35 Ų3575.8 Ų75.825%0.24546%0.457CS..PPolyproline II helixtrans-57.1146.4156440000109N750 V751S721-N750 PolarHBondContact O-ND2 3.18Å; S721-N750 PolarHBondContact OG-ND2 3.02Å; S721-V751 WeakPolarHBondContact O-CG2 3.13Å
722P55.8Low59.7Low48 Ų4872.3 Ų72.331%0.31244%0.441SS..PPolyproline II helixtrans-54.1136.7177.8-23.632000110.3L724 N750 I803P722-L724 PolarHBondContact O-N 3.33Å; P722-N750 PolarHBondContact O-ND2 3.15Å; P722-I803 HydrophobicContact CB-CD1 4.3Å; P722-I803 HydrophobicContact CG-CD1 4.06Å
723P63.9Low61.7Low0 Ų066.3 Ų66.30%042%0.418CS..PPolyproline II helixtrans-60.4135.417827.8-36.9000109.3N750 V751 I753 S798 G805P723-N750 WeakPolarHBondContact CA-OD1 3.5Å; P723-V751 HydrophobicContact CB-CB 4.43Å; P723-I753 HydrophobicContact CB-CG1 4.4Å; P723-S798 WeakPolarHBondContact CG-O 3.31Å; P723-G805 WeakPolarHBondContact O-CA 3.33Å
724L72Confident64.1Low62 Ų6267 Ų6733%0.32541%0.408SS..PPolyproline II helixtrans-58.8151.7-178.2-71.4175.9000112.1P722 P746 F748 N750 S798P722-L724 PolarHBondContact O-N 3.33Å; L724-P746 HydrophobicContact CB-CB 3.77Å; L724-P746 HydrophobicContact CB-CG 4.21Å; L724-P746 WeakPolarHBondContact O-CG 3.35Å; L724-F748 HydrophobicContact CD1-CB 4.28Å; L724-N750 PolarHBondContact N-OD1 2.85Å; L724-S798 WeakPolarHBondContact O-CB 3.04Å; L724-S798 PolarHBondContact O-OG 2.83Å
725P77.1Confident67.1Low35 Ų3557.2 Ų57.223%0.22738%0.376CS..PPolyproline II helixtrans-66.1145.9178.127.6-32.5000110.4P806P725-P806 HydrophobicContact CB-CG 4.43Å; P725-P806 HydrophobicContact CG-CG 4.25Å
726P79.9Confident69.9Low7 Ų752.6 Ų52.65%0.04535%0.347CS..PPolyproline II helixtrans-56.2142.4174.3-2737.7000112.7V729 W743 Y756 V796P726-V729 HydrophobicContact CB-CG2 4.34Å; P726-W743 HydrophobicContact CB-CB 3.92Å; P726-W743 HydrophobicContact CB-CG 3.91Å; P726-Y756 HydrophobicContact CG-CD1 3.71Å; P726-Y756 HydrophobicContact CG-CE1 3.93Å; P726-V796 HydrophobicContact CB-CB 4.48Å; P726-V796 WeakPolarHBondContact CD-O 3.05Å; P726-V796 HydrophobicContact CG-CB 4.04Å; P726-V796 HydrophobicContact CG-CG1 3.84Å
727S77.8Confident72.5Confident28 Ų2849.8 Ų49.820%0.19632%0.324CS..EExtended strand (participates in β ladder)trans-94165.917551.90000111.5V729 E744 K745S727-V729 PolarHBondContact O-N 2.65Å; S727-V729 VanDerWaalsContact O-N 3.15Å; S727-E744 PolarHBondContact N-O 2.84Å; S727-E744 PolarHBondContact O-N 2.85Å; S727-K745 PolarHBondContact OG-O 3.48Å
728S81.7Confident75.3Confident53 Ų5347.1 Ų47.137%0.37130%0.297SS..EExtended strand (participates in β ladder)trans55.437.2171-47.10000113.3Q730 E744S728-Q730 PolarHBondContact O-N 2.7Å; S728-E744 WeakPolarHBondContact CB-OE2 3.46Å; S728-E744 PolarHBondContact OG-OE2 3.02Å
729V82.4Confident77.5Confident25 Ų2540.6 Ų40.615%0.15225%0.254CS..EExtended strand (participates in β ladder)trans-65.3121.8178.2-174.70000108.8P726 S727 L741 R742 W743 V796 V811P726-V729 HydrophobicContact CB-CG2 4.34Å; S727-V729 PolarHBondContact O-N 2.65Å; S727-V729 VanDerWaalsContact O-N 3.15Å; V729-L741 HydrophobicContact CG1-CD1 3.89Å; V729-L741 HydrophobicContact CG1-CG 4.38Å; V729-R742 CarbonylContact C-O 3.53Å; V729-R742 WeakPolarHBondContact CA-O 3.45Å; V729-W743 HydrophobicContact CG2-CB 3.99Å; V729-V796 HydrophobicContact CG1-CG2 3.9Å; V729-V796 HydrophobicContact CG2-CG2 4.35Å; V729-V811 HydrophobicContact CB-CG2 4.05Å; V729-V811 HydrophobicContact CG1-CG2 3.83Å
730Q82.1Confident79.9Confident123 Ų12338.7 Ų38.758%0.57523%0.232SC*.EExtended strand (participates in β ladder)trans-128.9128.2-180-68.8177.91000108.9S728 L741 R742S728-Q730 PolarHBondContact O-N 2.7Å; Q730-L741 WeakPolarHBondContact O-CA 3.33Å; Q730-R742 PolarHBondContact N-O 2.93Å; Q730-R742 PolarHBondContact O-N 2.68Å
731A89.6Confident82.2Confident14 Ų1436.1 Ų36.112%0.11621%0.214CC..EExtended strand (participates in β ladder)trans-104.8140.4170.800000108.8V739 W740 L741 L794 V811 E813A731-V739 HydrophobicContact CB-CG1 4.18Å; A731-W740 CarbonylContact C-O 3.6Å; A731-W740 WeakPolarHBondContact CA-O 3.45Å; A731-L741 HydrophobicContact CB-CD1 3.71Å; A731-L794 HydrophobicContact CB-CD1 3.89Å; A731-V811 HydrophobicContact CB-CG1 3.76Å; A731-E813 HydrophobicContact CB-CB 3.51Å; A731-E813 HydrophobicContact CB-CG 3.95Å
732T88.1Confident83.9Confident54 Ų5439.1 Ų39.133%0.33122%0.22SC..EExtended strand (participates in β ladder)trans-142124175.855.80000109.3N734 W740 E813T732-N734 PolarHBondContact O-N 2.86Å; T732-W740 PolarHBondContact N-O 3.27Å; T732-W740 PolarHBondContact O-N 2.84Å; T732-W740 WeakPolarHBondContact OG1-CB 3.24Å; T732-E813 WeakPolarHBondContact CA-OE1 3.34Å
733A88.7Confident85.7Confident28 Ų2837.3 Ų37.323%0.23121%0.207CC..EExtended strand (participates in β ladder)trans-56.1128.6174.900000111.2E813 A814 L816A733-E813 PolarHBondContact N-OE1 2.85Å; A733-A814 VanDerWaalsContact CB-O 3.22Å; A733-A814 WeakPolarHBondContact CB-O 3.08Å; A733-L816 HydrophobicContact CB-CD2 3.7Å; A733-L816 HydrophobicContact CB-CG 3.83Å
734N90.8Very high86.7Confident73 Ų7342 Ų4239%0.3923%0.229SC..EExtended strand (participates in β ladder)trans-108.5-36.2-177.9178.681.2000112.2T732 S738 W740 L782T732-N734 PolarHBondContact O-N 2.86Å; N734-S738 PolarHBondContact N-O 3.01Å; N734-S738 PolarHBondContact ND2-OG 3.37Å; N734-W740 HydrophobicContact CB-CG 4.38Å; N734-W740 PolarHBondContact OD1-NE1 3.23Å; N734-L782 HydrophobicContact CB-CD1 3.76Å
735S92.6Very high87.2Confident34 Ų3444.5 Ų44.524%0.23824%0.237CC..EExtended strand (participates in β ladder)trans-151.8-173.9170.274.30000109.8T737 S738 L816S735-T737 PolarHBondContact O-N 3.32Å; S735-T737 PolarHBondContact OG-N 2.83Å; S735-T737 VanDerWaalsContact OG-N 3.1Å; S735-T737 PolarHBondContact OG-OG1 2.86Å; S735-S738 WeakPolarHBondContact CB-OG 3.4Å; S735-S738 PolarHBondContact N-O 3.36Å; S735-S738 PolarHBondContact N-OG 2.82Å; S735-S738 PolarHBondContact OG-N 2.93Å; S735-S738 PolarHBondContact OG-OG 3.32Å; S735-L816 PolarHBondContact O-N 3.09Å
736S90.8Very high87Confident17 Ų1743.2 Ų43.212%0.11923%0.228CC..THydrogen-bonded Turntrans-61.1-25168.551.70000113.8P788 T815 L816 D818S736-P788 WeakPolarHBondContact O-CA 3.33Å; S736-T815 VanDerWaalsContact O-CB 3.25Å; S736-T815 WeakPolarHBondContact O-CB 3.5Å; S736-L816 VanDerWaalsContact CA-O 3.25Å; S736-L816 WeakPolarHBondContact CA-O 3.27Å; S736-D818 WeakPolarHBondContact CB-OD2 3.41Å; S736-D818 PolarHBondContact OG-OD2 2.84Å
737T91.1Very high86.2Confident59 Ų5952.7 Ų52.736%0.36226%0.263SS..THydrogen-bonded Turntrans-121.212.4-175.154.70000113.2S735 R784 G785 L786 P788S735-T737 PolarHBondContact O-N 3.32Å; S735-T737 PolarHBondContact OG-N 2.83Å; S735-T737 VanDerWaalsContact OG-N 3.1Å; S735-T737 PolarHBondContact OG-OG1 2.86Å; T737-R784 CarbonylContact O-C 3.51Å; T737-G785 PolarHBondContact O-N 2.9Å; T737-L786 WeakPolarHBondContact CA-O 3.35Å; T737-L786 WeakPolarHBondContact CB-O 3.46Å; T737-L786 WeakPolarHBondContact CG2-O 3.29Å; T737-L786 PolarHBondContact O-N 2.91Å; T737-P788 HydrophobicContact CG2-CG 4.21Å
738S89.2Confident85Confident5 Ų559 Ų594%0.03529%0.287CS..EExtended strand (participates in β ladder)trans-150.9145.3-178.166.70000115.1N734 S735 L783N734-S738 PolarHBondContact N-O 3.01Å; N734-S738 PolarHBondContact ND2-OG 3.37Å; S735-S738 WeakPolarHBondContact CB-OG 3.4Å; S735-S738 PolarHBondContact N-O 3.36Å; S735-S738 PolarHBondContact N-OG 2.82Å; S735-S738 PolarHBondContact OG-N 2.93Å; S735-S738 PolarHBondContact OG-OG 3.32Å; S738-L783 CarbonylContact C-O 3.57Å; S738-L783 WeakPolarHBondContact CA-O 3.5Å; S738-L783 WeakPolarHBondContact CB-O 3.27Å
739V91.9Very high83.9Confident0 Ų061 Ų610%029%0.293CS..EExtended strand (participates in β ladder)trans-127.8129176.8171.70000108.1A731 L783 L786 L794 E813 T815A731-V739 HydrophobicContact CB-CG1 4.18Å; V739-L783 PolarHBondContact N-O 2.89Å; V739-L783 VanDerWaalsContact N-O 3.11Å; V739-L783 PolarHBondContact O-N 3.35Å; V739-L786 HydrophobicContact CB-CD1 3.98Å; V739-L786 HydrophobicContact CG2-CD1 3.77Å; V739-L794 HydrophobicContact CG1-CD1 4.42Å; V739-E813 HydrophobicContact CG1-CB 4.48Å; V739-E813 HydrophobicContact CG1-CG 4.11Å; V739-E813 HydrophobicContact CG2-CG 4.47Å; V739-T815 HydrophobicContact CG2-CG2 3.93Å
740W93.1Very high82.7Confident58 Ų5863 Ų6322%0.2230%0.303CS..EExtended strand (participates in β ladder)trans-77.9129.7165.6-94.1116.7000109A731 T732 N734 E780 I781 L782A731-W740 CarbonylContact C-O 3.6Å; A731-W740 WeakPolarHBondContact CA-O 3.45Å; T732-W740 PolarHBondContact N-O 3.27Å; T732-W740 PolarHBondContact O-N 2.84Å; T732-W740 WeakPolarHBondContact OG1-CB 3.24Å; N734-W740 HydrophobicContact CB-CG 4.38Å; N734-W740 PolarHBondContact OD1-NE1 3.23Å; W740-E780 HydrophobicContact CE3-CB 4.15Å; W740-E780 HydrophobicContact CE3-CG 4.47Å; W740-E780 HydrophobicContact CH2-CG 4.39Å; W740-E780 HydrophobicContact CZ3-CB 3.82Å; W740-E780 HydrophobicContact CZ3-CG 3.7Å; W740-I781 VanDerWaalsContact CE3-C 3.44Å; W740-I781 VanDerWaalsContact CE3-O 3.32Å; W740-L782 HydrophobicContact CD2-CB 3.97Å; W740-L782 HydrophobicContact CD2-CD1 4.09Å; W740-L782 HydrophobicContact CE3-CB 3.99Å; W740-L782 HydrophobicContact CG-CD1 3.99Å; W740-L782 HydrophobicContact CH2-CB 3.97Å; W740-L782 HydrophobicContact CZ2-CB 3.93Å; W740-L782 HydrophobicContact CZ2-CD2 4.28Å; W740-L782 HydrophobicContact CZ3-CB 3.99Å
741L92.8Very high81.9Confident0 Ų058.3 Ų58.30%028%0.283CS..EExtended strand (participates in β ladder)trans-117.6126.8170-167.270.1000108.1V729 Q730 A731 W743 V758 E780 I781 L794 V796V729-L741 HydrophobicContact CG1-CD1 3.89Å; V729-L741 HydrophobicContact CG1-CG 4.38Å; Q730-L741 WeakPolarHBondContact O-CA 3.33Å; A731-L741 HydrophobicContact CB-CD1 3.71Å; L741-W743 HydrophobicContact CB-CZ3 4.17Å; L741-W743 HydrophobicContact CD2-CE3 4.42Å; L741-W743 HydrophobicContact CD2-CZ3 4.14Å; L741-W743 HydrophobicContact CG-CE3 4.1Å; L741-W743 HydrophobicContact CG-CZ3 4.03Å; L741-W743 WeakPolarHBondContact O-CZ3 3.21Å; L741-V758 HydrophobicContact CD2-CB 4.32Å; L741-V758 HydrophobicContact CD2-CG1 3.41Å; L741-V758 VanDerWaalsContact CD2-CG1 3.41Å; L741-V758 HydrophobicContact CD2-CG2 3.91Å; L741-E780 CarbonylContact O-C 3.56Å; L741-E780 WeakPolarHBondContact O-CA 3.38Å; L741-E780 WeakPolarHBondContact O-CB 3.4Å; L741-I781 HydrophobicContact CB-CG2 4.19Å; L741-I781 PolarHBondContact N-O 2.93Å; L741-I781 PolarHBondContact O-N 2.9Å; L741-L794 HydrophobicContact CD1-CB 4.09Å; L741-L794 HydrophobicContact CD2-CB 4.35Å; L741-L794 HydrophobicContact CD2-CD2 4.43Å; L741-V796 HydrophobicContact CD2-CG2 3.52Å; L741-V796 HydrophobicContact CG-CG2 4.2Å
742R90.9Very high81.3Confident98 Ų9867.3 Ų67.337%0.3731%0.314SS..EExtended strand (participates in β ladder)trans-125.7149.1179.1-55.8-165173.692.84109.7V729 Q730 E780V729-R742 CarbonylContact C-O 3.53Å; V729-R742 WeakPolarHBondContact CA-O 3.45Å; Q730-R742 PolarHBondContact N-O 2.93Å; Q730-R742 PolarHBondContact O-N 2.68Å; R742-E780 HydrophobicContact CB-CB 4.4Å; R742-E780 HydrophobicContact CG-CB 3.86Å; R742-E780 IonicContact CZ-OE2 3.68Å; R742-E780 IonicContact NE-OE2 3.08Å; R742-E780 PolarHBondContact NE-OE2 2.82Å; R742-E780 IonicContact NH2-OE2 3.95Å
743W92.7Very high80.8Confident11 Ų1166.3 Ų66.34%0.04231%0.306CS..EExtended strand (participates in β ladder)trans-152.8164.1177.655.590.9000110.8P726 V729 L741 Y756 V758 S778 L779 I781 V796P726-W743 HydrophobicContact CB-CB 3.92Å; P726-W743 HydrophobicContact CB-CG 3.91Å; V729-W743 HydrophobicContact CG2-CB 3.99Å; L741-W743 HydrophobicContact CB-CZ3 4.17Å; L741-W743 HydrophobicContact CD2-CE3 4.42Å; L741-W743 HydrophobicContact CD2-CZ3 4.14Å; L741-W743 HydrophobicContact CG-CE3 4.1Å; L741-W743 HydrophobicContact CG-CZ3 4.03Å; L741-W743 WeakPolarHBondContact O-CZ3 3.21Å; W743-Y756 AromaticContact CE2-CD2 3.98Å; W743-Y756 AromaticContact CE2-CG 3.81Å; W743-Y756 AromaticContact CZ2-CD2 3.84Å; W743-Y756 HydrophobicContact CZ2-CD2 3.84Å; W743-Y756 AromaticContact CZ2-CG 3.79Å; W743-Y756 HydrophobicContact CZ2-CG 3.79Å; W743-Y756 AromaticContact NE1-CD1 3.39Å; W743-Y756 AromaticContact NE1-CD2 3.48Å; W743-Y756 AromaticContact NE1-CE1 3.59Å; W743-Y756 AromaticContact NE1-CE2 3.68Å; W743-Y756 AromaticContact NE1-CG 3.36Å; W743-Y756 AromaticContact NE1-CZ 3.75Å; W743-V758 HydrophobicContact CH2-CG2 3.95Å; W743-V758 HydrophobicContact CZ3-CG2 4.08Å; W743-S778 VanDerWaalsContact CZ2-O 3.3Å; W743-S778 WeakPolarHBondContact CZ2-O 3.46Å; W743-L779 PolarHBondContact N-O 3.29Å; W743-L779 WeakPolarHBondContact O-CB 3.1Å; W743-I781 HydrophobicContact CH2-CB 4.12Å; W743-I781 HydrophobicContact CH2-CG2 3.93Å; W743-I781 HydrophobicContact CZ3-CB 4.48Å; W743-I781 HydrophobicContact CZ3-CG2 3.94Å; W743-V796 HydrophobicContact CD2-CB 4.46Å; W743-V796 HydrophobicContact CD2-CG1 3.92Å; W743-V796 HydrophobicContact CD2-CG2 4.09Å; W743-V796 HydrophobicContact CE3-CG1 4.21Å; W743-V796 HydrophobicContact CE3-CG2 3.72Å; W743-V796 HydrophobicContact CG-CG1 4.39Å; W743-V796 HydrophobicContact CH2-CG1 4.37Å; W743-V796 HydrophobicContact CZ2-CG1 4.08Å; W743-V796 HydrophobicContact CZ3-CG1 4.42Å; W743-V796 HydrophobicContact CZ3-CG2 4.13Å
744E86Confident80.4Confident99 Ų9969.1 Ų69.146%0.46332%0.316SS..EExtended strand (participates in β ladder)trans-97.6157.1170.3-67.7178.614600110.3S727 S728S727-E744 PolarHBondContact N-O 2.84Å; S727-E744 PolarHBondContact O-N 2.85Å; S728-E744 WeakPolarHBondContact CB-OE2 3.46Å; S728-E744 PolarHBondContact OG-OE2 3.02Å
745K81Confident80.1Confident114 Ų11467.9 Ų67.950%0.49631%0.309SS..PPolyproline II helixtrans-58.4145.6166.2-66.9-175179.8172.70108.7S727 R747 I749 L779S727-K745 PolarHBondContact OG-O 3.48Å; K745-R747 PolarHBondContact O-N 3.11Å; K745-I749 HydrophobicContact CB-CD1 4.23Å; K745-I749 HydrophobicContact CD-CD1 4.03Å; K745-L779 HydrophobicContact CG-CD1 4.09Å; K745-L779 HydrophobicContact CG-CD2 3.64Å; K745-L779 HydrophobicContact CG-CG 4.47Å
746P74.9Confident79.8Confident7 Ų766.6 Ų66.65%0.04530%0.3CS..PPolyproline II helixtrans-51.1133.3171.4-20.930.3000109.9L724 F748 I753L724-P746 HydrophobicContact CB-CB 3.77Å; L724-P746 HydrophobicContact CB-CG 4.21Å; L724-P746 WeakPolarHBondContact O-CG 3.35Å; P746-F748 PolarHBondContact O-N 2.71Å; P746-I753 HydrophobicContact CG-CD1 4.06Å
747R61.1Low79.5Confident206 Ų20666.4 Ų66.478%0.77730%0.297SS*.SBendtrans-55.1-25.3-175.9-69-175.4176.7177.2-0.4113.4K745K745-R747 PolarHBondContact O-N 3.11Å
748F53Low79.3Confident160 Ų16063.6 Ų63.670%0.70228%0.28SS*.SBendtrans-122.2126.7169.9-58-78.8000109.1L724 P746L724-F748 HydrophobicContact CD1-CB 4.28Å; P746-F748 PolarHBondContact O-N 2.71Å
749I58.5Low79Confident96 Ų9665.6 Ų65.649%0.49229%0.287SS..  trans-10695.2-179.3-58.1178.7000108.3K745 V751 I753K745-I749 HydrophobicContact CB-CD1 4.23Å; K745-I749 HydrophobicContact CD-CD1 4.03Å; I749-V751 WeakPolarHBondContact CG2-O 3.31Å; I749-I753 HydrophobicContact CG2-CG1 4.5Å
750N57.7Low78.7Confident68 Ų6865.6 Ų65.636%0.36429%0.287SS..  trans-75.3-28.3177.459.3-36.2000113.3S721 P722 P723 L724S721-N750 PolarHBondContact O-ND2 3.18Å; S721-N750 PolarHBondContact OG-ND2 3.02Å; P722-N750 PolarHBondContact O-ND2 3.15Å; P723-N750 WeakPolarHBondContact CA-OD1 3.5Å; L724-N750 PolarHBondContact N-OD1 2.85Å
751V66.3Low78.3Confident24 Ų2463.3 Ų63.315%0.14528%0.28CS..SBendtrans-136.8148.5-178.4173.80000110.7S721 P723 I749 I753S721-V751 WeakPolarHBondContact O-CG2 3.13Å; P723-V751 HydrophobicContact CB-CB 4.43Å; I749-V751 WeakPolarHBondContact CG2-O 3.31Å; V751-I753 PolarHBondContact O-N 3.04Å
752R76.3Confident77.8Confident202 Ų20264.6 Ų64.676%0.76229%0.288SS*.  trans-60.4105.6173.4-177.9-176.3-179-177.81.3110.4G800R752-G800 WeakPolarHBondContact O-CA 3.49Å
753I78.2Confident77.3Confident33 Ų3362 Ų6217%0.16929%0.288CS..EExtended strand (participates in β ladder)trans-68.9128.3172.8-54.7173.9000109.1P723 P746 I749 V751 N755 Y756 N799P723-I753 HydrophobicContact CB-CG1 4.4Å; P746-I753 HydrophobicContact CG-CD1 4.06Å; I749-I753 HydrophobicContact CG2-CG1 4.5Å; V751-I753 PolarHBondContact O-N 3.04Å; I753-N755 WeakPolarHBondContact CG2-O 3.36Å; I753-Y756 HydrophobicContact CD1-CE1 4.28Å; I753-Y756 HydrophobicContact CG2-CD1 4.49Å; I753-Y756 HydrophobicContact CG2-CE1 3.91Å; I753-Y756 HydrophobicContact CG2-CE2 4.25Å; I753-N799 CarbonylContact C-O 3.49Å; I753-N799 WeakPolarHBondContact CA-O 3.46Å
754I80.3Confident75.9Confident87 Ų8764.6 Ų64.645%0.44632%0.318SS..EExtended strand (participates in β ladder)trans-98.1-37.6177.557.2168000112.3N799 G800 V801I754-N799 HydrophobicContact CG1-CB 4.37Å; I754-N799 VanDerWaalsContact CG1-O 3.32Å; I754-N799 WeakPolarHBondContact CG1-O 3.28Å; I754-N799 PolarHBondContact N-O 2.87Å; I754-G800 VanDerWaalsContact CD1-O 3.29Å; I754-G800 WeakPolarHBondContact CD1-O 3.46Å; I754-V801 HydrophobicContact CG2-CG2 3.81Å
755N83.8Confident75Confident47 Ų4762.1 Ų62.125%0.25131%0.31SS..EExtended strand (participates in β ladder)trans-164.1-178.8175.464.522000109.3I753 S776 N799I753-N755 WeakPolarHBondContact CG2-O 3.36Å; N755-S776 WeakPolarHBondContact CA-O 3.09Å; N755-S776 WeakPolarHBondContact CB-O 3.38Å; N755-N799 PolarHBondContact O-N 2.87Å; N755-N799 WeakPolarHBondContact OD1-CB 3.14Å; N755-N799 PolarHBondContact OD1-ND2 2.81Å
756Y87.2Confident74Confident8 Ų863.7 Ų63.73%0.03133%0.329CS..EExtended strand (participates in β ladder)trans-118.2147.6174.2-56.1-86.9000109.8P726 W743 I753 T775 S776 S778 L779 V796 R797P726-Y756 HydrophobicContact CG-CD1 3.71Å; P726-Y756 HydrophobicContact CG-CE1 3.93Å; W743-Y756 AromaticContact CE2-CD2 3.98Å; W743-Y756 AromaticContact CE2-CG 3.81Å; W743-Y756 AromaticContact CZ2-CD2 3.84Å; W743-Y756 HydrophobicContact CZ2-CD2 3.84Å; W743-Y756 AromaticContact CZ2-CG 3.79Å; W743-Y756 HydrophobicContact CZ2-CG 3.79Å; W743-Y756 AromaticContact NE1-CD1 3.39Å; W743-Y756 AromaticContact NE1-CD2 3.48Å; W743-Y756 AromaticContact NE1-CE1 3.59Å; W743-Y756 AromaticContact NE1-CE2 3.68Å; W743-Y756 AromaticContact NE1-CG 3.36Å; W743-Y756 AromaticContact NE1-CZ 3.75Å; I753-Y756 HydrophobicContact CD1-CE1 4.28Å; I753-Y756 HydrophobicContact CG2-CD1 4.49Å; I753-Y756 HydrophobicContact CG2-CE1 3.91Å; I753-Y756 HydrophobicContact CG2-CE2 4.25Å; Y756-T775 VanDerWaalsContact O-CA 3.27Å; Y756-T775 WeakPolarHBondContact O-CA 3.41Å; Y756-S776 PolarHBondContact N-O 2.81Å; Y756-S776 PolarHBondContact O-N 2.83Å; Y756-S778 VanDerWaalsContact CD2-O 3.23Å; Y756-S778 WeakPolarHBondContact CD2-O 3.23Å; Y756-L779 HydrophobicContact CE2-CD2 3.77Å; Y756-L779 WeakPolarHBondContact OH-CD2 3.32Å; Y756-V796 HydrophobicContact CD1-CG1 4.3Å; Y756-V796 HydrophobicContact CG-CG1 4.39Å; Y756-R797 CarbonylContact C-O 3.57Å; Y756-R797 WeakPolarHBondContact CA-O 3.29Å; Y756-R797 WeakPolarHBondContact CB-O 3.33Å
757T83.5Confident73.5Confident12 Ų1267.2 Ų67.27%0.07435%0.348CS..EExtended strand (participates in β ladder)trans-109.4128.8166-60.70000109.1Y773 Y774 V796 R797 N799 F807T757-Y773 HydrophobicContact CG2-CD1 4Å; T757-Y774 CarbonylContact C-O 3.44Å; T757-Y774 VanDerWaalsContact CA-O 3.31Å; T757-Y774 WeakPolarHBondContact CA-O 3.3Å; T757-V796 CarbonylContact O-C 3.57Å; T757-V796 WeakPolarHBondContact O-CA 3.37Å; T757-R797 PolarHBondContact N-O 2.81Å; T757-R797 PolarHBondContact O-N 2.82Å; T757-N799 PolarHBondContact N-ND2 3.48Å; T757-N799 PolarHBondContact OG1-ND2 3.05Å; T757-F807 HydrophobicContact CG2-CE1 4.42Å; T757-F807 HydrophobicContact CG2-CZ 4.34Å
758V86.9Confident73.3Confident0 Ų061.2 Ų61.20%034%0.342CS..EExtended strand (participates in β ladder)trans-100130.9171.2179.50000108.5L741 W743 Y773 Y774 I781 L783 A795 V796L741-V758 HydrophobicContact CD2-CB 4.32Å; L741-V758 HydrophobicContact CD2-CG1 3.41Å; L741-V758 VanDerWaalsContact CD2-CG1 3.41Å; L741-V758 HydrophobicContact CD2-CG2 3.91Å; W743-V758 HydrophobicContact CH2-CG2 3.95Å; W743-V758 HydrophobicContact CZ3-CG2 4.08Å; V758-Y773 WeakPolarHBondContact O-CA 3.48Å; V758-Y774 PolarHBondContact N-O 3.1Å; V758-Y774 PolarHBondContact O-N 2.88Å; V758-I781 HydrophobicContact CG2-CG2 3.89Å; V758-L783 HydrophobicContact CG1-CD1 4.17Å; V758-L783 HydrophobicContact CG1-CD2 4.45Å; V758-A795 CarbonylContact C-O 3.11Å; V758-A795 WeakPolarHBondContact CA-O 3.34Å; V758-V796 HydrophobicContact CG2-CG1 4.1Å; V758-V796 HydrophobicContact CG2-CG2 4.12Å
759R84.1Confident73.6Confident47 Ų4758.2 Ų58.218%0.17734%0.341CS..EExtended strand (participates in β ladder)trans-93.9141.4160.468.3172.3179.492.43.1109.1Y773 L794 A795 F807 T810R759-Y773 HydrophobicContact CB-CD1 4.05Å; R759-Y773 HydrophobicContact CB-CE1 3.78Å; R759-L794 WeakPolarHBondContact O-CA 3.48Å; R759-A795 HydrophobicContact CG-CB 3.9Å; R759-A795 PolarHBondContact N-O 2.77Å; R759-A795 PolarHBondContact O-N 3.05Å; R759-A795 VanDerWaalsContact O-N 3.14Å; R759-F807 HydrophobicContact CB-CD1 4.44Å; R759-F807 HydrophobicContact CB-CE1 3.85Å; R759-F807 HydrophobicContact CB-CZ 4.06Å; R759-F807 HydrophobicContact CG-CD1 3.96Å; R759-F807 HydrophobicContact CG-CE1 3.88Å; R759-F807 HydrophobicContact CG-CG 4.49Å; R759-F807 HydrophobicContact CG-CZ 4.35Å; R759-T810 PolarHBondContact NH2-OG1 2.87Å
760C85.6Confident74Confident1 Ų156.7 Ų56.71%0.00733%0.334CS..EExtended strand (participates in β ladder)trans-142.3127.9175.5-176.80000109S772 Y774 L783 Y792 E793 L794C760-S772 PolarHBondContact N-O 2.92Å; C760-S772 PolarHBondContact O-N 2.88Å; C760-Y774 HydrophobicContact CB-CD2 4.39Å; C760-Y774 HydrophobicContact CB-CE2 3.9Å; C760-L783 HydrophobicContact CB-CD1 3.92Å; C760-Y792 WeakPolarHBondContact SG-CD1 3.39Å; C760-E793 WeakPolarHBondContact CA-O 3.34Å; C760-L794 HydrophobicContact CB-CD2 4.25Å
761S84.7Confident74.5Confident9 Ų955.5 Ų55.56%0.06333%0.328CS..EExtended strand (participates in β ladder)trans-146.6149.8177.949.50000110.5A763 Y792 E793S761-A763 PolarHBondContact O-N 3.09Å; S761-Y792 CarbonylContact O-C 3.57Å; S761-Y792 WeakPolarHBondContact O-CA 3.2Å; S761-Y792 WeakPolarHBondContact O-CD1 3.48Å; S761-E793 PolarHBondContact N-O 2.78Å; S761-E793 VanDerWaalsContact N-O 3.08Å; S761-E793 PolarHBondContact O-N 2.9Å
762P82.2Confident74.9Confident27 Ų2756.9 Ų56.918%0.17534%0.339CS..EExtended strand (participates in β ladder)trans-52.7134.5168.1-24.333.9000110.6G764 T765 L770 Y792P762-G764 PolarHBondContact O-N 3.29Å; P762-T765 WeakPolarHBondContact O-CB 3.2Å; P762-T765 VanDerWaalsContact O-CG2 3.26Å; P762-T765 WeakPolarHBondContact O-CG2 3.37Å; P762-T765 PolarHBondContact O-N 3.21Å; P762-L770 WeakPolarHBondContact CD-O 3.31Å; P762-L770 HydrophobicContact CG-CB 4.43Å; P762-Y792 HydrophobicContact CG-CE1 4.04Å
763A78.6Confident75.2Confident43 Ų4354.1 Ų54.136%0.35533%0.33SS..THydrogen-bonded Turntrans-60.4137.3-175.100000111.6S761 T765 H791 E793S761-A763 PolarHBondContact O-N 3.09Å; A763-T765 VanDerWaalsContact C-N 3.26Å; A763-T765 PolarHBondContact O-N 3.01Å; A763-H791 HydrophobicContact CB-CB 3.94Å; A763-H791 PolarHBondContact N-O 2.99Å; A763-E793 WeakPolarHBondContact CA-OE1 3.33Å; A763-E793 HydrophobicContact CB-CG 4.02Å
764G64.9Low75.4Confident66 Ų6655.5 Ų55.568%0.6833%0.333SS*.THydrogen-bonded Turntrans70.38.9-178.400000116P762 E793P762-G764 PolarHBondContact O-N 3.29Å; G764-E793 PolarHBondContact N-OE1 3.33Å
765T66.7Low75.6Confident47 Ų4756 Ų5629%0.28834%0.34SS..  trans-74.8132.9176.9-160.80000112.5P762 A763 N767 L770P762-T765 WeakPolarHBondContact O-CB 3.2Å; P762-T765 VanDerWaalsContact O-CG2 3.26Å; P762-T765 WeakPolarHBondContact O-CG2 3.37Å; P762-T765 PolarHBondContact O-N 3.21Å; A763-T765 VanDerWaalsContact C-N 3.26Å; A763-T765 PolarHBondContact O-N 3.01Å; T765-N767 PolarHBondContact OG1-N 3.36Å; T765-L770 HydrophobicContact CG2-CB 4.42Å
766T59.5Low75.6Confident148 Ų14854.5 Ų54.591%0.90833%0.334SS*.  trans-94.4-6.9168.254.70000112.6A768T766-A768 PolarHBondContact O-N 2.96Å
767N64.5Low75.4Confident81 Ų8159.2 Ų59.243%0.43337%0.368SS..  trans-84.6105.1-177-174.9-1.1000111.1T765 S769 L770T765-N767 PolarHBondContact OG1-N 3.36Å; N767-S769 PolarHBondContact ND2-OG 3.22Å; N767-S769 PolarHBondContact O-N 3.35Å; N767-S769 VanDerWaalsContact O-N 3.1Å; N767-S769 PolarHBondContact OD1-N 3.45Å; N767-S769 VanDerWaalsContact OD1-N 3.17Å; N767-S769 PolarHBondContact OD1-OG 3.27Å; N767-L770 HydrophobicContact CB-CD1 4.21Å; N767-L770 HydrophobicContact CB-CG 4.35Å; N767-L770 PolarHBondContact O-N 2.83Å
768A57.6Low75.5Confident80 Ų8061.5 Ų61.566%0.66138%0.384SS*.G310 helixtrans-56.5-25.7-179.300000114.5T766 L770 V771T766-A768 PolarHBondContact O-N 2.96Å; A768-L770 PolarHBondContact O-N 2.94Å; A768-V771 PolarHBondContact O-N 2.88Å
769S59.3Low75.6Confident96 Ų9664.5 Ų64.567%0.67140%0.4SS*.G310 helixtrans-72.5-12.9178.670.20000114.1N767N767-S769 PolarHBondContact ND2-OG 3.22Å; N767-S769 PolarHBondContact O-N 3.35Å; N767-S769 VanDerWaalsContact O-N 3.1Å; N767-S769 PolarHBondContact OD1-N 3.45Å; N767-S769 VanDerWaalsContact OD1-N 3.17Å; N767-S769 PolarHBondContact OD1-OG 3.27Å
770L65.6Low76Confident65 Ų6565.6 Ų65.634%0.3441%0.407SS..G310 helixtrans-91.70.6175-60.6178.7000113.1P762 T765 N767 A768P762-L770 WeakPolarHBondContact CD-O 3.31Å; P762-L770 HydrophobicContact CG-CB 4.43Å; T765-L770 HydrophobicContact CG2-CB 4.42Å; N767-L770 HydrophobicContact CB-CD1 4.21Å; N767-L770 HydrophobicContact CB-CG 4.35Å; N767-L770 PolarHBondContact O-N 2.83Å; A768-L770 PolarHBondContact O-N 2.94Å
771V69.1Low76.2Confident42 Ų4266.8 Ų66.826%0.25541%0.413SS..  trans-87.4115.4177.2-172.90000109.8A768 Y773A768-V771 PolarHBondContact O-N 2.88Å; V771-Y773 HydrophobicContact CB-CE2 4.47Å; V771-Y773 HydrophobicContact CG1-CD2 4.49Å; V771-Y773 HydrophobicContact CG1-CE1 4.44Å; V771-Y773 HydrophobicContact CG1-CE2 3.78Å
772S75.1Confident76.6Confident53 Ų5368 Ų6837%0.37142%0.419SS..EExtended strand (participates in β ladder)trans-100.4140.3176.9-63.80000111.3C760C760-S772 PolarHBondContact N-O 2.92Å; C760-S772 PolarHBondContact O-N 2.88Å
773Y81.6Confident77Confident144 Ų14466.7 Ų66.757%0.56541%0.41SS*.EExtended strand (participates in β ladder)trans-117.3131.7176.4-65.4-83.6000110.8T757 V758 R759 V771 F807T757-Y773 HydrophobicContact CG2-CD1 4Å; V758-Y773 WeakPolarHBondContact O-CA 3.48Å; R759-Y773 HydrophobicContact CB-CD1 4.05Å; R759-Y773 HydrophobicContact CB-CE1 3.78Å; V771-Y773 HydrophobicContact CB-CE2 4.47Å; V771-Y773 HydrophobicContact CG1-CD2 4.49Å; V771-Y773 HydrophobicContact CG1-CE1 4.44Å; V771-Y773 HydrophobicContact CG1-CE2 3.78Å; Y773-F807 HydrophobicContact CD1-CZ 4.32Å; Y773-F807 AromaticContact CE1-CZ 3.93Å; Y773-F807 HydrophobicContact CE1-CZ 3.93Å
774Y83.5Confident77.6Confident63 Ų6373.2 Ų73.225%0.24743%0.426CS..EExtended strand (participates in β ladder)trans-125.1153179.7-54-96.9000110T757 V758 C760 L783T757-Y774 CarbonylContact C-O 3.44Å; T757-Y774 VanDerWaalsContact CA-O 3.31Å; T757-Y774 WeakPolarHBondContact CA-O 3.3Å; V758-Y774 PolarHBondContact N-O 3.1Å; V758-Y774 PolarHBondContact O-N 2.88Å; C760-Y774 HydrophobicContact CB-CD2 4.39Å; C760-Y774 HydrophobicContact CB-CE2 3.9Å; Y774-L783 HydrophobicContact CD1-CD2 4.01Å; Y774-L783 HydrophobicContact CD2-CD2 3.54Å; Y774-L783 HydrophobicContact CE1-CD2 4.35Å; Y774-L783 HydrophobicContact CE2-CD1 4.48Å; Y774-L783 HydrophobicContact CE2-CD2 3.93Å; Y774-L783 HydrophobicContact CG-CD2 3.58Å
775T84.1Confident78.6Confident96 Ų9673.5 Ų73.559%0.58943%0.429SS*.EExtended strand (participates in β ladder)trans-122.3137.2176.650.80000111.2Y756Y756-T775 VanDerWaalsContact O-CA 3.27Å; Y756-T775 WeakPolarHBondContact O-CA 3.41Å
776S83.3Confident79.7Confident17 Ų1771.8 Ų71.812%0.11942%0.418CS..EExtended strand (participates in β ladder)trans-134.5137.8174.4-173.50000110.2N755 Y756 S778 E780N755-S776 WeakPolarHBondContact CA-O 3.09Å; N755-S776 WeakPolarHBondContact CB-O 3.38Å; Y756-S776 PolarHBondContact N-O 2.81Å; Y756-S776 PolarHBondContact O-N 2.83Å; S776-S778 PolarHBondContact OG-N 2.79Å; S776-S778 VanDerWaalsContact OG-N 3.09Å; S776-S778 PolarHBondContact OG-O 2.81Å; S776-E780 PolarHBondContact OG-O 2.92Å
777S82.6Confident81.1Confident107 Ų10771.8 Ų71.875%0.74840%0.401SS*.SBendtrans-85.9-12166.651.20000112.5
778S86.3Confident82.2Confident60 Ų6069.1 Ų69.142%0.4239%0.388SS..SBendtrans-87.9173.6174.9-166.90000111.5W743 Y756 S776W743-S778 VanDerWaalsContact CZ2-O 3.3Å; W743-S778 WeakPolarHBondContact CZ2-O 3.46Å; Y756-S778 VanDerWaalsContact CD2-O 3.23Å; Y756-S778 WeakPolarHBondContact CD2-O 3.23Å; S776-S778 PolarHBondContact OG-N 2.79Å; S776-S778 VanDerWaalsContact OG-N 3.09Å; S776-S778 PolarHBondContact OG-O 2.81Å
779L90Very high83.7Confident62 Ų6269.5 Ų69.533%0.32538%0.375SS..SBendtrans-86.77.6172-66.4-178.5000113.5W743 K745 Y756W743-L779 PolarHBondContact N-O 3.29Å; W743-L779 WeakPolarHBondContact O-CB 3.1Å; K745-L779 HydrophobicContact CG-CD1 4.09Å; K745-L779 HydrophobicContact CG-CD2 3.64Å; K745-L779 HydrophobicContact CG-CG 4.47Å; Y756-L779 HydrophobicContact CE2-CD2 3.77Å; Y756-L779 WeakPolarHBondContact OH-CD2 3.32Å
780E90.8Very high85Confident71 Ų7166.6 Ų66.633%0.33235%0.354SS..EExtended strand (participates in β ladder)trans-143.1160.4173.357.9175.1-16900110.8W740 L741 R742 S776W740-E780 HydrophobicContact CE3-CB 4.15Å; W740-E780 HydrophobicContact CE3-CG 4.47Å; W740-E780 HydrophobicContact CH2-CG 4.39Å; W740-E780 HydrophobicContact CZ3-CB 3.82Å; W740-E780 HydrophobicContact CZ3-CG 3.7Å; L741-E780 CarbonylContact O-C 3.56Å; L741-E780 WeakPolarHBondContact O-CA 3.38Å; L741-E780 WeakPolarHBondContact O-CB 3.4Å; R742-E780 HydrophobicContact CB-CB 4.4Å; R742-E780 HydrophobicContact CG-CB 3.86Å; R742-E780 IonicContact CZ-OE2 3.68Å; R742-E780 IonicContact NE-OE2 3.08Å; R742-E780 PolarHBondContact NE-OE2 2.82Å; R742-E780 IonicContact NH2-OE2 3.95Å; S776-E780 PolarHBondContact OG-O 2.92Å
781I90.9Very high86Confident26 Ų2668.8 Ų68.813%0.13336%0.362CS..EExtended strand (participates in β ladder)trans-148142167.8-163.2176.1000109.8W740 L741 W743 V758 L783W740-I781 VanDerWaalsContact CE3-C 3.44Å; W740-I781 VanDerWaalsContact CE3-O 3.32Å; L741-I781 HydrophobicContact CB-CG2 4.19Å; L741-I781 PolarHBondContact N-O 2.93Å; L741-I781 PolarHBondContact O-N 2.9Å; W743-I781 HydrophobicContact CH2-CB 4.12Å; W743-I781 HydrophobicContact CH2-CG2 3.93Å; W743-I781 HydrophobicContact CZ3-CB 4.48Å; W743-I781 HydrophobicContact CZ3-CG2 3.94Å; V758-I781 HydrophobicContact CG2-CG2 3.89Å; I781-L783 HydrophobicContact CD1-CD2 4.04Å; I781-L783 HydrophobicContact CG1-CD2 4.28Å; I781-L783 HydrophobicContact CG2-CD2 3.65Å; I781-L783 HydrophobicContact CG2-CG 4.19Å
782L93.3Very high86.7Confident34 Ų3467.4 Ų67.418%0.17835%0.352CS..EExtended strand (participates in β ladder)trans-95.8106.6168179.356.9000108.8N734 W740 R784N734-L782 HydrophobicContact CB-CD1 3.76Å; W740-L782 HydrophobicContact CD2-CB 3.97Å; W740-L782 HydrophobicContact CD2-CD1 4.09Å; W740-L782 HydrophobicContact CE3-CB 3.99Å; W740-L782 HydrophobicContact CG-CD1 3.99Å; W740-L782 HydrophobicContact CH2-CB 3.97Å; W740-L782 HydrophobicContact CZ2-CB 3.93Å; W740-L782 HydrophobicContact CZ2-CD2 4.28Å; W740-L782 HydrophobicContact CZ3-CB 3.99Å; L782-R784 HydrophobicContact CG-CG 4.11Å
783L90.9Very high87.2Confident0 Ų067.4 Ų67.40%035%0.346CS..EExtended strand (participates in β ladder)trans-75.8131.4174-55.4-174.9000108.7S738 V739 V758 C760 Y774 I781 L786 L794S738-L783 CarbonylContact C-O 3.57Å; S738-L783 WeakPolarHBondContact CA-O 3.5Å; S738-L783 WeakPolarHBondContact CB-O 3.27Å; V739-L783 PolarHBondContact N-O 2.89Å; V739-L783 VanDerWaalsContact N-O 3.11Å; V739-L783 PolarHBondContact O-N 3.35Å; V758-L783 HydrophobicContact CG1-CD1 4.17Å; V758-L783 HydrophobicContact CG1-CD2 4.45Å; C760-L783 HydrophobicContact CB-CD1 3.92Å; Y774-L783 HydrophobicContact CD1-CD2 4.01Å; Y774-L783 HydrophobicContact CD2-CD2 3.54Å; Y774-L783 HydrophobicContact CE1-CD2 4.35Å; Y774-L783 HydrophobicContact CE2-CD1 4.48Å; Y774-L783 HydrophobicContact CE2-CD2 3.93Å; Y774-L783 HydrophobicContact CG-CD2 3.58Å; I781-L783 HydrophobicContact CD1-CD2 4.04Å; I781-L783 HydrophobicContact CG1-CD2 4.28Å; I781-L783 HydrophobicContact CG2-CD2 3.65Å; I781-L783 HydrophobicContact CG2-CG 4.19Å; L783-L786 HydrophobicContact CB-CD1 4.15Å; L783-L794 HydrophobicContact CD1-CD2 3.3Å
784R90.4Very high87.4Confident180 Ų18060.6 Ų60.668%0.67932%0.319SS*.EExtended strand (participates in β ladder)trans-128.5158.1-175-62.8179.2-179.4-112.27110.7T737 L782 L786T737-R784 CarbonylContact O-C 3.51Å; L782-R784 HydrophobicContact CG-CG 4.11Å; R784-L786 VanDerWaalsContact C-N 3.33Å
785G85.6Confident87.2Confident72 Ų7257.6 Ų57.674%0.74231%0.308SS*.SBendtrans77.821.5-178.800000113.1T737T737-G785 PolarHBondContact O-N 2.9Å
786L90.8Very high87.3Confident10 Ų1053 Ų535%0.05228%0.28CS..PPolyproline II helixtrans-76.6156.5173.1-56.3-177.6000110T737 V739 L783 R784 Y792 T815T737-L786 WeakPolarHBondContact CA-O 3.35Å; T737-L786 WeakPolarHBondContact CB-O 3.46Å; T737-L786 WeakPolarHBondContact CG2-O 3.29Å; T737-L786 PolarHBondContact O-N 2.91Å; V739-L786 HydrophobicContact CB-CD1 3.98Å; V739-L786 HydrophobicContact CG2-CD1 3.77Å; L783-L786 HydrophobicContact CB-CD1 4.15Å; R784-L786 VanDerWaalsContact C-N 3.33Å; L786-Y792 HydrophobicContact CB-CE2 3.76Å; L786-Y792 HydrophobicContact CD1-CD2 4.28Å; L786-Y792 HydrophobicContact CD1-CE2 4.33Å; L786-Y792 HydrophobicContact CD2-CD1 4.36Å; L786-Y792 HydrophobicContact CD2-CE1 3.93Å; L786-Y792 HydrophobicContact CD2-CE2 4.35Å; L786-Y792 HydrophobicContact CG-CE2 4.36Å; L786-T815 HydrophobicContact CB-CG2 3.76Å; L786-T815 HydrophobicContact CD1-CG2 4.02Å
787R87.4Confident87.3Confident148 Ų14855.5 Ų55.556%0.55829%0.286SS*.PPolyproline II helixtrans-73.8141.5175.7-63.3-178.2-167-106.53110.2T790 Y792 T815R787-T790 HydrophobicContact CB-CG2 4.43Å; R787-T790 WeakPolarHBondContact CB-OG1 3.46Å; R787-T790 WeakPolarHBondContact O-CB 3.43Å; R787-Y792 PolarHBondContact N-OH 2.84Å; R787-T815 WeakPolarHBondContact O-CB 3.45Å; R787-T815 PolarHBondContact O-OG1 2.78Å
788P89.3Confident87.3Confident26 Ų2650.4 Ų50.417%0.16925%0.251CS..THydrogen-bonded Turntrans-57150170.8-26.736.9000114.3S736 T737 T790 D818 N848S736-P788 WeakPolarHBondContact O-CA 3.33Å; T737-P788 HydrophobicContact CG2-CG 4.21Å; P788-T790 PolarHBondContact O-N 2.89Å; P788-T790 PolarHBondContact O-OG1 2.94Å; P788-D818 HydrophobicContact CB-CB 4.17Å; P788-D818 HydrophobicContact CG-CB 4.41Å; P788-N848 HydrophobicContact CB-CB 3.6Å; P788-N848 HydrophobicContact CG-CB 4.22Å
789F89Confident86.9Confident87 Ų8748.2 Ų48.238%0.38223%0.234SC..THydrogen-bonded Turntrans46.234.5174.6-162.6-120.4000115T815 L816 P817 N848 I850F789-T815 PolarHBondContact N-OG1 3.47Å; F789-T815 VanDerWaalsContact N-OG1 3.09Å; F789-L816 PolarHBondContact N-O 2.82Å; F789-L816 VanDerWaalsContact N-O 3.14Å; F789-P817 HydrophobicContact CD2-CB 3.95Å; F789-N848 WeakPolarHBondContact CB-O 3.29Å; F789-I850 HydrophobicContact CE1-CG1 4.2Å; F789-I850 HydrophobicContact CZ-CD1 4.29Å; F789-I850 HydrophobicContact CZ-CG1 3.83Å
790T84.9Confident86.2Confident36 Ų3645.4 Ų45.422%0.22122%0.22CC..  trans-115.5133.3-173-63.30000109.2R787 P788 Y792 A814 T815R787-T790 HydrophobicContact CB-CG2 4.43Å; R787-T790 WeakPolarHBondContact CB-OG1 3.46Å; R787-T790 WeakPolarHBondContact O-CB 3.43Å; P788-T790 PolarHBondContact O-N 2.89Å; P788-T790 PolarHBondContact O-OG1 2.94Å; T790-Y792 HydrophobicContact CG2-CD2 4.13Å; T790-Y792 HydrophobicContact CG2-CE2 3.59Å; T790-Y792 WeakPolarHBondContact O-CD2 3.36Å; T790-A814 WeakPolarHBondContact O-CA 3.35Å; T790-T815 PolarHBondContact N-OG1 2.86Å; T790-T815 PolarHBondContact O-N 3.03Å; T790-T815 PolarHBondContact O-OG1 3.18Å
791H87Confident85.2Confident110 Ų11045.9 Ų45.951%0.50923%0.227SC..EExtended strand (participates in β ladder)trans-79.5130.7175-67.773.6000109.7A763 V812A763-H791 HydrophobicContact CB-CB 3.94Å; A763-H791 PolarHBondContact N-O 2.99Å; H791-V812 HydrophobicContact CB-CG1 4.49Å
792Y84.8Confident83.8Confident14 Ų1452.7 Ų52.76%0.05526%0.264CS..EExtended strand (participates in β ladder)trans-119.5136.7179.6-78.4-86.3000111.1C760 S761 P762 L786 R787 T790 L794 V812 E813 T815C760-Y792 WeakPolarHBondContact SG-CD1 3.39Å; S761-Y792 CarbonylContact O-C 3.57Å; S761-Y792 WeakPolarHBondContact O-CA 3.2Å; S761-Y792 WeakPolarHBondContact O-CD1 3.48Å; P762-Y792 HydrophobicContact CG-CE1 4.04Å; L786-Y792 HydrophobicContact CB-CE2 3.76Å; L786-Y792 HydrophobicContact CD1-CD2 4.28Å; L786-Y792 HydrophobicContact CD1-CE2 4.33Å; L786-Y792 HydrophobicContact CD2-CD1 4.36Å; L786-Y792 HydrophobicContact CD2-CE1 3.93Å; L786-Y792 HydrophobicContact CD2-CE2 4.35Å; L786-Y792 HydrophobicContact CG-CE2 4.36Å; R787-Y792 PolarHBondContact N-OH 2.84Å; T790-Y792 HydrophobicContact CG2-CD2 4.13Å; T790-Y792 HydrophobicContact CG2-CE2 3.59Å; T790-Y792 WeakPolarHBondContact O-CD2 3.36Å; Y792-L794 WeakPolarHBondContact O-CD1 3.15Å; Y792-V812 WeakPolarHBondContact O-CA 3.28Å; Y792-E813 PolarHBondContact N-O 2.91Å; Y792-E813 PolarHBondContact O-N 3.5Å; Y792-T815 HydrophobicContact CD2-CG2 4.28Å; Y792-T815 HydrophobicContact CE2-CG2 4.17Å
793E85.9Confident82.4Confident53 Ų5353 Ų5325%0.24827%0.266CS..EExtended strand (participates in β ladder)trans-90.4123.9167.1-80.8176.4-133.800110C760 S761 A763 G764 T810 V812C760-E793 WeakPolarHBondContact CA-O 3.34Å; S761-E793 PolarHBondContact N-O 2.78Å; S761-E793 VanDerWaalsContact N-O 3.08Å; S761-E793 PolarHBondContact O-N 2.9Å; A763-E793 WeakPolarHBondContact CA-OE1 3.33Å; A763-E793 HydrophobicContact CB-CG 4.02Å; G764-E793 PolarHBondContact N-OE1 3.33Å; E793-T810 HydrophobicContact CB-CG2 3.63Å; E793-T810 HydrophobicContact CG-CG2 3.69Å; E793-V812 HydrophobicContact CG-CG2 4.05Å
794L85Confident81.1Confident0 Ų055.1 Ų55.10%028%0.283CS..EExtended strand (participates in β ladder)trans-126.3136.1-172.4-57.8124.7000109.6A731 V739 L741 R759 C760 L783 Y792 T810 V811 E813A731-L794 HydrophobicContact CB-CD1 3.89Å; V739-L794 HydrophobicContact CG1-CD1 4.42Å; L741-L794 HydrophobicContact CD1-CB 4.09Å; L741-L794 HydrophobicContact CD2-CB 4.35Å; L741-L794 HydrophobicContact CD2-CD2 4.43Å; R759-L794 WeakPolarHBondContact O-CA 3.48Å; C760-L794 HydrophobicContact CB-CD2 4.25Å; L783-L794 HydrophobicContact CD1-CD2 3.3Å; Y792-L794 WeakPolarHBondContact O-CD1 3.15Å; L794-T810 WeakPolarHBondContact O-CA 3.46Å; L794-V811 PolarHBondContact N-O 2.98Å; L794-V811 PolarHBondContact O-N 3Å; L794-E813 HydrophobicContact CD1-CB 3.95Å
795A80.2Confident79.9Confident0 Ų046.9 Ų46.90%026%0.255CS..EExtended strand (participates in β ladder)trans-149.9154.916800000111.1V758 R759 F807V758-A795 CarbonylContact C-O 3.11Å; V758-A795 WeakPolarHBondContact CA-O 3.34Å; R759-A795 HydrophobicContact CG-CB 3.9Å; R759-A795 PolarHBondContact N-O 2.77Å; R759-A795 PolarHBondContact O-N 3.05Å; R759-A795 VanDerWaalsContact O-N 3.14Å; A795-F807 HydrophobicContact CB-CB 4.09Å; A795-F807 HydrophobicContact CB-CD1 4.22Å
796V85.1Confident79Confident0 Ų046.2 Ų46.20%024%0.237CC..EExtended strand (participates in β ladder)trans-121.2138-175.1-164.10000109.6P726 V729 L741 W743 Y756 T757 V758 F807 S808P726-V796 HydrophobicContact CB-CB 4.48Å; P726-V796 WeakPolarHBondContact CD-O 3.05Å; P726-V796 HydrophobicContact CG-CB 4.04Å; P726-V796 HydrophobicContact CG-CG1 3.84Å; V729-V796 HydrophobicContact CG1-CG2 3.9Å; V729-V796 HydrophobicContact CG2-CG2 4.35Å; L741-V796 HydrophobicContact CD2-CG2 3.52Å; L741-V796 HydrophobicContact CG-CG2 4.2Å; W743-V796 HydrophobicContact CD2-CB 4.46Å; W743-V796 HydrophobicContact CD2-CG1 3.92Å; W743-V796 HydrophobicContact CD2-CG2 4.09Å; W743-V796 HydrophobicContact CE3-CG1 4.21Å; W743-V796 HydrophobicContact CE3-CG2 3.72Å; W743-V796 HydrophobicContact CG-CG1 4.39Å; W743-V796 HydrophobicContact CH2-CG1 4.37Å; W743-V796 HydrophobicContact CZ2-CG1 4.08Å; W743-V796 HydrophobicContact CZ3-CG1 4.42Å; W743-V796 HydrophobicContact CZ3-CG2 4.13Å; Y756-V796 HydrophobicContact CD1-CG1 4.3Å; Y756-V796 HydrophobicContact CG-CG1 4.39Å; T757-V796 CarbonylContact O-C 3.57Å; T757-V796 WeakPolarHBondContact O-CA 3.37Å; V758-V796 HydrophobicContact CG2-CG1 4.1Å; V758-V796 HydrophobicContact CG2-CG2 4.12Å; V796-F807 CarbonylContact O-C 3.52Å; V796-S808 PolarHBondContact N-OG 3.04Å; V796-S808 WeakPolarHBondContact O-CB 3.45Å; V796-S808 PolarHBondContact O-N 2.82Å; V796-S808 PolarHBondContact O-OG 3.24Å
797R82.8Confident78.3Confident70 Ų7048 Ų4826%0.26424%0.244SC..EExtended strand (participates in β ladder)trans-117149.4165.265.7174.9-176.1-152.1-2.4110.9Y756 T757 N799 G805 P806 F807Y756-R797 CarbonylContact C-O 3.57Å; Y756-R797 WeakPolarHBondContact CA-O 3.29Å; Y756-R797 WeakPolarHBondContact CB-O 3.33Å; T757-R797 PolarHBondContact N-O 2.81Å; T757-R797 PolarHBondContact O-N 2.82Å; R797-N799 PolarHBondContact NE-OD1 2.63Å; R797-G805 VanDerWaalsContact CD-O 3.23Å; R797-G805 WeakPolarHBondContact CD-O 3.38Å; R797-P806 WeakPolarHBondContact CB-O 3.25Å; R797-F807 HydrophobicContact CB-CD1 3.87Å; R797-F807 HydrophobicContact CB-CE1 4.15Å; R797-F807 HydrophobicContact CB-CG 4.13Å; R797-F807 HydrophobicContact CG-CD1 4.01Å; R797-F807 HydrophobicContact CG-CE1 3.74Å; R797-F807 HydrophobicContact CG-CE2 4.49Å; R797-F807 HydrophobicContact CG-CG 4.48Å; R797-F807 HydrophobicContact CG-CZ 4Å
798S83.4Confident77.9Confident0 Ų041.5 Ų41.50%022%0.222CC..EExtended strand (participates in β ladder)trans-79.2144.4165.9-55.90000109.4P723 L724 G805P723-S798 WeakPolarHBondContact CG-O 3.31Å; L724-S798 WeakPolarHBondContact O-CB 3.04Å; L724-S798 PolarHBondContact O-OG 2.83Å; S798-G805 WeakPolarHBondContact O-CA 3.4Å; S798-G805 PolarHBondContact O-N 3.36Å
799N78.6Confident76.8Confident14 Ų1441 Ų418%0.07522%0.222CC..EExtended strand (participates in β ladder)trans-120136.6168.3-49.2-60.1000109.6I753 I754 N755 T757 R797 A804I753-N799 CarbonylContact C-O 3.49Å; I753-N799 WeakPolarHBondContact CA-O 3.46Å; I754-N799 HydrophobicContact CG1-CB 4.37Å; I754-N799 VanDerWaalsContact CG1-O 3.32Å; I754-N799 WeakPolarHBondContact CG1-O 3.28Å; I754-N799 PolarHBondContact N-O 2.87Å; N755-N799 PolarHBondContact O-N 2.87Å; N755-N799 WeakPolarHBondContact OD1-CB 3.14Å; N755-N799 PolarHBondContact OD1-ND2 2.81Å; T757-N799 PolarHBondContact N-ND2 3.48Å; T757-N799 PolarHBondContact OG1-ND2 3.05Å; R797-N799 PolarHBondContact NE-OD1 2.63Å; N799-A804 WeakPolarHBondContact OD1-CB 3.49Å
800G74.8Confident76.2Confident2 Ų240.1 Ų40.12%0.02122%0.223CC..EExtended strand (participates in β ladder)trans-104.1-173.9172.800000111.5R752 I754 N802 I803R752-G800 WeakPolarHBondContact O-CA 3.49Å; I754-G800 VanDerWaalsContact CD1-O 3.29Å; I754-G800 WeakPolarHBondContact CD1-O 3.46Å; G800-N802 PolarHBondContact O-N 3.09Å; G800-I803 PolarHBondContact N-O 3.04Å
801V68.8Low75.8Confident81 Ų8140.2 Ų40.249%0.49122%0.224SC..THydrogen-bonded Turntrans-66.8108176.4-176.20000109.1I754 I803I754-V801 HydrophobicContact CG2-CG2 3.81Å; V801-I803 VanDerWaalsContact C-N 3.26Å; V801-I803 PolarHBondContact O-N 3.29Å
802N61.5Low75.7Confident169 Ų16938.8 Ų38.890%0.90422%0.223SC*.THydrogen-bonded Turntrans62.518.5-180-53.2-24.9000116.2G800G800-N802 PolarHBondContact O-N 3.09Å
803I63.4Low76Confident41 Ų4140.8 Ų40.821%0.2123%0.233CC..EExtended strand (participates in β ladder)trans-144.5135.8176.6-171168.3000111.2S720 P722 G800 V801S720-I803 WeakPolarHBondContact O-CD1 3.21Å; P722-I803 HydrophobicContact CB-CD1 4.3Å; P722-I803 HydrophobicContact CG-CD1 4.06Å; G800-I803 PolarHBondContact N-O 3.04Å; V801-I803 VanDerWaalsContact C-N 3.26Å; V801-I803 PolarHBondContact O-N 3.29Å
804A63.9Low76.1Confident45 Ų4539.6 Ų39.637%0.37223%0.231SC..EExtended strand (participates in β ladder)trans-104.9140.9176.900000110.8N799N799-A804 WeakPolarHBondContact OD1-CB 3.49Å
805G66.1Low76.4Confident7 Ų739.7 Ų39.77%0.07223%0.232CC..EExtended strand (participates in β ladder)trans-78.5170.2173.400000112.9P723 R797 S798P723-G805 WeakPolarHBondContact O-CA 3.33Å; R797-G805 VanDerWaalsContact CD-O 3.23Å; R797-G805 WeakPolarHBondContact CD-O 3.38Å; S798-G805 WeakPolarHBondContact O-CA 3.4Å; S798-G805 PolarHBondContact O-N 3.36Å
806P65.9Low76.8Confident57 Ų5743.5 Ų43.537%0.3725%0.252SS..EExtended strand (participates in β ladder)trans-64.8157.7165.731.5-35.4000110.4P725 R797P725-P806 HydrophobicContact CB-CG 4.43Å; P725-P806 HydrophobicContact CG-CG 4.25Å; R797-P806 WeakPolarHBondContact CB-O 3.25Å
807F75.8Confident77.1Confident47 Ų4744.6 Ų44.621%0.20626%0.259CS..EExtended strand (participates in β ladder)trans-71.5150.7168.1-73.7-82.3000110.5T757 R759 Y773 A795 V796 R797T757-F807 HydrophobicContact CG2-CE1 4.42Å; T757-F807 HydrophobicContact CG2-CZ 4.34Å; R759-F807 HydrophobicContact CB-CD1 4.44Å; R759-F807 HydrophobicContact CB-CE1 3.85Å; R759-F807 HydrophobicContact CB-CZ 4.06Å; R759-F807 HydrophobicContact CG-CD1 3.96Å; R759-F807 HydrophobicContact CG-CE1 3.88Å; R759-F807 HydrophobicContact CG-CG 4.49Å; R759-F807 HydrophobicContact CG-CZ 4.35Å; Y773-F807 HydrophobicContact CD1-CZ 4.32Å; Y773-F807 AromaticContact CE1-CZ 3.93Å; Y773-F807 HydrophobicContact CE1-CZ 3.93Å; A795-F807 HydrophobicContact CB-CB 4.09Å; A795-F807 HydrophobicContact CB-CD1 4.22Å; V796-F807 CarbonylContact O-C 3.52Å; R797-F807 HydrophobicContact CB-CD1 3.87Å; R797-F807 HydrophobicContact CB-CE1 4.15Å; R797-F807 HydrophobicContact CB-CG 4.13Å; R797-F807 HydrophobicContact CG-CD1 4.01Å; R797-F807 HydrophobicContact CG-CE1 3.74Å; R797-F807 HydrophobicContact CG-CE2 4.49Å; R797-F807 HydrophobicContact CG-CG 4.48Å; R797-F807 HydrophobicContact CG-CZ 4Å
808S80.1Confident77.5Confident12 Ų1243.3 Ų43.38%0.08426%0.257CS..PPolyproline II helixtrans-57.5170.6165.567.30000111.4V796V796-S808 PolarHBondContact N-OG 3.04Å; V796-S808 WeakPolarHBondContact O-CB 3.45Å; V796-S808 PolarHBondContact O-N 2.82Å; V796-S808 PolarHBondContact O-OG 3.24Å
809G65.8Low77.9Confident17 Ų1750.6 Ų50.618%0.17529%0.285CS..PPolyproline II helixtrans-51.2150.2159.200000111.6
810T76.7Confident78.6Confident67 Ų6750 Ų5041%0.41128%0.282SS..PPolyproline II helixtrans-71.8129.5176.2-44.20000110R759 E793 L794R759-T810 PolarHBondContact NH2-OG1 2.87Å; E793-T810 HydrophobicContact CB-CG2 3.63Å; E793-T810 HydrophobicContact CG-CG2 3.69Å; L794-T810 WeakPolarHBondContact O-CA 3.46Å
811V75.8Confident79.4Confident38 Ų3852.6 Ų52.623%0.2330%0.3CS..EExtended strand (participates in β ladder)trans-102.2136.1164-176.10000107.6V729 A731 L794V729-V811 HydrophobicContact CB-CG2 4.05Å; V729-V811 HydrophobicContact CG1-CG2 3.83Å; A731-V811 HydrophobicContact CB-CG1 3.76Å; L794-V811 PolarHBondContact N-O 2.98Å; L794-V811 PolarHBondContact O-N 3Å
812V86.4Confident80.5Confident80 Ų8050.3 Ų50.349%0.48529%0.286SS..EExtended strand (participates in β ladder)trans-106.3130.4174.8-177.20000108.5H791 Y792 E793H791-V812 HydrophobicContact CB-CG1 4.49Å; Y792-V812 WeakPolarHBondContact O-CA 3.28Å; E793-V812 HydrophobicContact CG-CG2 4.05Å
813E90.5Very high82.1Confident57 Ų5744.1 Ų44.127%0.26626%0.255SS..EExtended strand (participates in β ladder)trans-143.1144175.4-178.466.6168.400110.2A731 T732 A733 V739 Y792 L794A731-E813 HydrophobicContact CB-CB 3.51Å; A731-E813 HydrophobicContact CB-CG 3.95Å; T732-E813 WeakPolarHBondContact CA-OE1 3.34Å; A733-E813 PolarHBondContact N-OE1 2.85Å; V739-E813 HydrophobicContact CG1-CB 4.48Å; V739-E813 HydrophobicContact CG1-CG 4.11Å; V739-E813 HydrophobicContact CG2-CG 4.47Å; Y792-E813 PolarHBondContact N-O 2.91Å; Y792-E813 PolarHBondContact O-N 3.5Å; L794-E813 HydrophobicContact CD1-CB 3.95Å
814A87.7Confident83.5Confident27 Ų2742.4 Ų42.422%0.22325%0.247CC..EExtended strand (participates in β ladder)trans-96.4138.3176.300000111.1A733 T790A733-A814 VanDerWaalsContact CB-O 3.22Å; A733-A814 WeakPolarHBondContact CB-O 3.08Å; T790-A814 WeakPolarHBondContact O-CA 3.35Å
815T90.6Very high84.8Confident2 Ų244.4 Ų44.41%0.01225%0.248CC..PPolyproline II helixtrans-63152163.644.80000110.7S736 V739 L786 R787 F789 T790 Y792S736-T815 VanDerWaalsContact O-CB 3.25Å; S736-T815 WeakPolarHBondContact O-CB 3.5Å; V739-T815 HydrophobicContact CG2-CG2 3.93Å; L786-T815 HydrophobicContact CB-CG2 3.76Å; L786-T815 HydrophobicContact CD1-CG2 4.02Å; R787-T815 WeakPolarHBondContact O-CB 3.45Å; R787-T815 PolarHBondContact O-OG1 2.78Å; F789-T815 PolarHBondContact N-OG1 3.47Å; F789-T815 VanDerWaalsContact N-OG1 3.09Å; T790-T815 PolarHBondContact N-OG1 2.86Å; T790-T815 PolarHBondContact O-N 3.03Å; T790-T815 PolarHBondContact O-OG1 3.18Å; Y792-T815 HydrophobicContact CD2-CG2 4.28Å; Y792-T815 HydrophobicContact CE2-CG2 4.17Å
816L90.4Very high86Confident80 Ų8048.5 Ų48.542%0.41927%0.265SS..PPolyproline II helixtrans-62.9156177-62.3-178.3000110.8A733 S735 S736 F789A733-L816 HydrophobicContact CB-CD2 3.7Å; A733-L816 HydrophobicContact CB-CG 3.83Å; S735-L816 PolarHBondContact O-N 3.09Å; S736-L816 VanDerWaalsContact CA-O 3.25Å; S736-L816 WeakPolarHBondContact CA-O 3.27Å; F789-L816 PolarHBondContact N-O 2.82Å; F789-L816 VanDerWaalsContact N-O 3.14Å
817P89.7Confident87.3Confident23 Ų2346.8 Ų46.815%0.14925%0.253CS..PPolyproline II helixtrans-65.6158.6166.326.7-31.4000111.1F789 N848 K901 V902F789-P817 HydrophobicContact CD2-CB 3.95Å; P817-N848 CarbonylContact C-O 3.52Å; P817-N848 WeakPolarHBondContact CA-O 3.36Å; P817-K901 VanDerWaalsContact CG-CE 3.47Å; P817-V902 HydrophobicContact CB-CG2 4.19Å; P817-V902 HydrophobicContact CG-CG2 4.09Å
818D92.3Very high88.1Confident43 Ų4350.1 Ų50.123%0.2327%0.269CS..  trans-129.8-178.1172-146.1-38.2000109.3S736 P788 N848 T900S736-D818 WeakPolarHBondContact CB-OD2 3.41Å; S736-D818 PolarHBondContact OG-OD2 2.84Å; P788-D818 HydrophobicContact CB-CB 4.17Å; P788-D818 HydrophobicContact CG-CB 4.41Å; D818-N848 HydrophobicContact CB-CB 3.97Å; D818-N848 PolarHBondContact N-O 2.86Å; D818-T900 WeakPolarHBondContact O-CB 3.49Å; D818-T900 WeakPolarHBondContact O-CG2 3.45Å; D818-T900 PolarHBondContact O-OG1 2.72Å
819R91.1Very high88.8Confident153 Ų15351.1 Ų51.158%0.57727%0.274SS*.  trans-68.2152.5161.965.9-174.2175.2-140.5-1.9110.7S821 N848 S904R819-S821 PolarHBondContact O-N 2.77Å; R819-N848 WeakPolarHBondContact O-CB 3.49Å; R819-N848 PolarHBondContact O-ND2 2.86Å; R819-S904 WeakPolarHBondContact CD-O 3.39Å
820P93.4Very high90.1Very high1 Ų158.7 Ų58.71%0.00630%0.297CS..  trans-57.1135172.6-22.434.3000110.9P844 E846 I851 A898 T900 G905 P906P820-P844 HydrophobicContact CB-CB 4.36Å; P820-P844 HydrophobicContact CB-CG 4.18Å; P820-E846 WeakPolarHBondContact CA-O 3.42Å; P820-I851 HydrophobicContact CG-CD1 3.72Å; P820-A898 HydrophobicContact CG-CB 4Å; P820-T900 HydrophobicContact CG-CG2 4.05Å; P820-G905 WeakPolarHBondContact O-CA 3.45Å; P820-P906 VanDerWaalsContact O-CD 3.25Å; P820-P906 WeakPolarHBondContact O-CD 3.27Å
821S91.6Very high90.9Very high58 Ų5857 Ų5741%0.40629%0.289SS..SBendtrans-88.2-31.4177.435.30000112.2R819 E846 N848 P906R819-S821 PolarHBondContact O-N 2.77Å; S821-E846 WeakPolarHBondContact CB-OE2 3.49Å; S821-E846 PolarHBondContact N-O 2.62Å; S821-E846 VanDerWaalsContact N-O 3.16Å; S821-E846 WeakPolarHBondContact OG-CB 3.21Å; S821-E846 PolarHBondContact OG-OE2 2.83Å; S821-N848 WeakPolarHBondContact CB-ND2 3.18Å; S821-N848 PolarHBondContact N-ND2 2.96Å; S821-N848 PolarHBondContact OG-ND2 2.85Å; S821-P906 WeakPolarHBondContact O-CG 3.36Å
822T92.1Very high91.5Very high33 Ų3358.8 Ų58.820%0.20230%0.297CS..SBendtrans-97.7154.9172.558.30000111.1P844 L845 E846T822-P844 WeakPolarHBondContact O-CB 3.17Å; T822-P844 WeakPolarHBondContact OG1-CB 3.18Å; T822-L845 PolarHBondContact OG1-N 3.43Å; T822-E846 HydrophobicContact CG2-CB 4Å; T822-E846 HydrophobicContact CG2-CG 4.02Å; T822-E846 PolarHBondContact OG1-N 3.42Å
823P94.2Very high91.6Very high39 Ų3958.3 Ų58.325%0.25329%0.292SS..PPolyproline II helixtrans-74.7169.4169.832.5-35.4000111.4P844 P906 F907P823-P844 WeakPolarHBondContact O-CA 3.38Å; P823-P906 HydrophobicContact CB-CG 4.29Å; P823-F907 VanDerWaalsContact CB-C 3.48Å; P823-F907 WeakPolarHBondContact CB-O 3.18Å
824P93.6Very high91.6Very high4 Ų457.1 Ų57.13%0.02629%0.29CS..PPolyproline II helixtrans-55.2138.5162.9-22.134000111.3W841 R842 Y854 V896 A898P824-W841 HydrophobicContact CB-CB 4.19Å; P824-W841 HydrophobicContact CB-CG 4.28Å; P824-R842 WeakPolarHBondContact CA-O 3.33Å; P824-R842 WeakPolarHBondContact CB-O 3.14Å; P824-Y854 HydrophobicContact CB-CE1 4.42Å; P824-Y854 HydrophobicContact CG-CD1 4.09Å; P824-Y854 HydrophobicContact CG-CE1 4.04Å; P824-V896 VanDerWaalsContact CD-O 3.31Å; P824-V896 WeakPolarHBondContact CD-O 3.49Å; P824-V896 HydrophobicContact CG-CB 4.44Å; P824-V896 HydrophobicContact CG-CG1 4.19Å; P824-A898 HydrophobicContact CG-CB 4.14Å
825E92.1Very high91.8Very high87 Ų8758.4 Ų58.441%0.40730%0.297SS..EExtended strand (participates in β ladder)trans-92.5164.7-178.3-62-166.510900111.8L827 R842E825-L827 PolarHBondContact O-N 3.06Å; E825-R842 HydrophobicContact CB-CB 4.21Å; E825-R842 PolarHBondContact N-O 3.38Å; E825-R842 VanDerWaalsContact N-O 3.09Å; E825-R842 PolarHBondContact O-N 2.83Å
826E91.3Very high91.9Very high93 Ų9358.4 Ų58.444%0.43530%0.298SS..EExtended strand (participates in β ladder)trans48.149.1172.6-63.1-177.2-152.200115.2Q828 R842E826-Q828 PolarHBondContact O-N 3.31Å; E826-Q828 VanDerWaalsContact O-N 3.13Å; E826-R842 HydrophobicContact CB-CG 4.3Å; E826-R842 IonicContact OE1-CZ 2.99Å; E826-R842 IonicContact OE1-NE 3.24Å; E826-R842 IonicContact OE1-NH1 2.93Å; E826-R842 PolarHBondContact OE1-NH1 3.41Å; E826-R842 IonicContact OE1-NH2 3.79Å; E826-R842 PolarHBondContact OE1-NH2 2.94Å; E826-R842 IonicContact OE2-CZ 2.96Å; E826-R842 IonicContact OE2-NE 3.46Å; E826-R842 PolarHBondContact OE2-NE 3.24Å; E826-R842 VanDerWaalsContact OE2-NE 3.1Å; E826-R842 IonicContact OE2-NH1 3.81Å; E826-R842 IonicContact OE2-NH2 2.83Å; E826-R842 PolarHBondContact OE2-NH2 3.33Å
827L93.3Very high92Very high22 Ų2254.6 Ų54.612%0.11528%0.278CS..EExtended strand (participates in β ladder)trans-63.3114.5172.6179.159.2000110.7E825 L829 V839 S840 V896 S908 V911E825-L827 PolarHBondContact O-N 3.06Å; L827-L829 HydrophobicContact CD1-CD2 4.41Å; L827-V839 HydrophobicContact CD1-CG1 3.64Å; L827-S840 WeakPolarHBondContact CA-O 3.36Å; L827-V896 HydrophobicContact CD1-CG2 3.61Å; L827-V896 HydrophobicContact CD2-CG2 4.2Å; L827-S908 VanDerWaalsContact CD2-OG 3.28Å; L827-S908 WeakPolarHBondContact CD2-OG 3.38Å; L827-V911 HydrophobicContact CB-CG2 4.19Å; L827-V911 HydrophobicContact CD2-CB 4.15Å; L827-V911 HydrophobicContact CD2-CG2 3.89Å; L827-V911 HydrophobicContact CG-CB 4.38Å; L827-V911 HydrophobicContact CG-CG2 4.03Å
828Q91.4Very high92.2Very high116 Ų11656 Ų5654%0.54228%0.283SS..EExtended strand (participates in β ladder)trans-116.6141.8177.6-64.1178.12100110.5E826 S840E826-Q828 PolarHBondContact O-N 3.31Å; E826-Q828 VanDerWaalsContact O-N 3.13Å; Q828-S840 PolarHBondContact N-O 2.82Å; Q828-S840 PolarHBondContact O-N 2.91Å
829L95.1Very high92.4Very high34 Ų3453.9 Ų53.918%0.17827%0.272CS..EExtended strand (participates in β ladder)trans-123.3134.1178.5-57.4179.9000110.1L827 V837 L838 V839 F894 V911 V913L827-L829 HydrophobicContact CD1-CD2 4.41Å; L829-V837 HydrophobicContact CB-CG1 4.46Å; L829-V837 HydrophobicContact CD2-CG1 4.43Å; L829-L838 WeakPolarHBondContact CA-O 3.35Å; L829-V839 HydrophobicContact CD2-CB 4.17Å; L829-V839 HydrophobicContact CD2-CG1 3.83Å; L829-V839 HydrophobicContact CD2-CG2 3.88Å; L829-F894 HydrophobicContact CD1-CB 4.07Å; L829-F894 HydrophobicContact CD1-CD2 3.62Å; L829-F894 HydrophobicContact CD1-CE2 4.44Å; L829-F894 HydrophobicContact CD1-CG 4.15Å; L829-F894 HydrophobicContact CD2-CB 3.88Å; L829-F894 HydrophobicContact CD2-CD1 4.46Å; L829-F894 HydrophobicContact CD2-CD2 3.95Å; L829-F894 HydrophobicContact CD2-CG 3.86Å; L829-F894 HydrophobicContact CG-CD2 4.46Å; L829-V911 HydrophobicContact CD1-CB 3.95Å; L829-V911 HydrophobicContact CD1-CG1 3.74Å; L829-V911 WeakPolarHBondContact CD1-O 3.39Å; L829-V911 HydrophobicContact CG-CB 4.33Å; L829-V911 HydrophobicContact CG-CG1 3.99Å; L829-V913 HydrophobicContact CB-CB 3.95Å; L829-V913 HydrophobicContact CB-CG1 4.15Å; L829-V913 HydrophobicContact CB-CG2 4.42Å; L829-V913 HydrophobicContact CD1-CB 3.91Å; L829-V913 HydrophobicContact CD1-CG1 3.86Å
830R93.9Very high92.2Very high175 Ų17548.1 Ų48.166%0.6626%0.256SS*.EExtended strand (participates in β ladder)trans-135.6111.4175.2-177.4-179.3178.9-168.2-0.1109.9L832 L838R830-L832 HydrophobicContact CG-CD2 4.43Å; R830-L832 PolarHBondContact O-N 3.14Å; R830-L838 HydrophobicContact CB-CB 4.42Å; R830-L838 PolarHBondContact N-O 2.96Å; R830-L838 PolarHBondContact O-N 3.1Å
831A91.7Very high92.3Very high31 Ų3148.6 Ų48.626%0.25626%0.257SS..EExtended strand (participates in β ladder)trans-64.4131.117100000110V837 V913A831-V837 HydrophobicContact CB-CG2 4.31Å; A831-V913 HydrophobicContact CB-CG2 4.08Å
832L88.3Confident92.3Very high76 Ų7652.3 Ų52.340%0.39826%0.262SS..EExtended strand (participates in β ladder)trans-98.7-40.2-179.4-59.2-177.1000111.5R830 S836 L838 E882R830-L832 HydrophobicContact CG-CD2 4.43Å; R830-L832 PolarHBondContact O-N 3.14Å; L832-S836 PolarHBondContact N-O 2.97Å; L832-L838 HydrophobicContact CD1-CB 4.22Å; L832-L838 HydrophobicContact CD2-CB 4.07Å; L832-L838 HydrophobicContact CG-CB 4.16Å; L832-E882 HydrophobicContact CD1-CG 3.72Å
833N89.8Confident92.1Very high71 Ų7153.6 Ų53.638%0.3827%0.271SS..EExtended strand (participates in β ladder)trans-158.1-174.1176.157.445.4000109.4S835 S836N833-S835 PolarHBondContact O-N 2.93Å; N833-S835 VanDerWaalsContact O-N 3.09Å; N833-S835 PolarHBondContact OD1-N 2.87Å; N833-S835 PolarHBondContact OD1-OG 2.78Å; N833-S836 PolarHBondContact ND2-OG 3.15Å; N833-S836 PolarHBondContact OD1-N 3.32Å; N833-S836 PolarHBondContact OD1-OG 2.97Å
834S90.9Very high91.9Very high32 Ų3252 Ų5222%0.22426%0.261CS..THydrogen-bonded Turntrans-64.5-9.6-178.858.70000115.2S887 G888 P916S834-S887 CarbonylContact O-C 3.48Å; S834-G888 WeakPolarHBondContact O-CA 3.4Å; S834-G888 PolarHBondContact O-N 3.17Å; S834-P916 VanDerWaalsContact CA-O 3.31Å; S834-P916 WeakPolarHBondContact CA-O 3.43Å; S834-P916 WeakPolarHBondContact CB-O 3.45Å
835S91.5Very high91.6Very high53 Ų5357.9 Ų57.937%0.37129%0.292SS..THydrogen-bonded Turntrans-128.88.1-178.366.60000115.1N833 R884 G885 L886N833-S835 PolarHBondContact O-N 2.93Å; N833-S835 VanDerWaalsContact O-N 3.09Å; N833-S835 PolarHBondContact OD1-N 2.87Å; N833-S835 PolarHBondContact OD1-OG 2.78Å; S835-R884 CarbonylContact O-C 3.54Å; S835-G885 PolarHBondContact O-N 3.43Å; S835-L886 WeakPolarHBondContact CA-O 3.41Å; S835-L886 WeakPolarHBondContact CB-O 3.32Å; S835-L886 PolarHBondContact O-N 3.21Å
836S91.4Very high91.5Very high2 Ų258 Ų581%0.01429%0.292CS..EExtended strand (participates in β ladder)trans-151147.2-179.160.20000115.3L832 N833 E882 V883L832-S836 PolarHBondContact N-O 2.97Å; N833-S836 PolarHBondContact ND2-OG 3.15Å; N833-S836 PolarHBondContact OD1-N 3.32Å; N833-S836 PolarHBondContact OD1-OG 2.97Å; S836-E882 WeakPolarHBondContact CB-OE1 3.41Å; S836-V883 VanDerWaalsContact CA-O 3.24Å; S836-V883 WeakPolarHBondContact CA-O 3.21Å
837V93.7Very high91.2Very high0 Ų055.8 Ų55.80%029%0.286CS..EExtended strand (participates in β ladder)trans-131.6131.2177.6166.50000108.9L829 A831 V839 V883 L886 F894 V913 T915L829-V837 HydrophobicContact CB-CG1 4.46Å; L829-V837 HydrophobicContact CD2-CG1 4.43Å; A831-V837 HydrophobicContact CB-CG2 4.31Å; V837-V839 HydrophobicContact CG1-CG2 4.09Å; V837-V883 PolarHBondContact N-O 3.17Å; V837-V883 PolarHBondContact O-N 2.94Å; V837-L886 HydrophobicContact CB-CD1 3.84Å; V837-L886 HydrophobicContact CG2-CD1 3.57Å; V837-F894 HydrophobicContact CB-CE2 4.49Å; V837-F894 HydrophobicContact CB-CZ 4.14Å; V837-F894 HydrophobicContact CG1-CE2 4.07Å; V837-F894 HydrophobicContact CG1-CZ 4Å; V837-V913 HydrophobicContact CB-CG1 4.46Å; V837-V913 HydrophobicContact CG1-CG1 3.86Å; V837-V913 HydrophobicContact CG2-CG1 3.71Å; V837-T915 HydrophobicContact CG2-CG2 4.06Å
838L93.9Very high91Very high52 Ų5255.7 Ų55.727%0.27229%0.285SS..EExtended strand (participates in β ladder)trans-81.7127.9165-176.867.2000109.4L829 R830 L832L829-L838 WeakPolarHBondContact CA-O 3.35Å; R830-L838 HydrophobicContact CB-CB 4.42Å; R830-L838 PolarHBondContact N-O 2.96Å; R830-L838 PolarHBondContact O-N 3.1Å; L832-L838 HydrophobicContact CD1-CB 4.22Å; L832-L838 HydrophobicContact CD2-CB 4.07Å; L832-L838 HydrophobicContact CG-CB 4.16Å
839V95.4Very high90.7Very high0 Ų050.5 Ų50.50%026%0.263CS..EExtended strand (participates in β ladder)trans-113.8128.2177-173.80000107.3L827 L829 V837 W841 I856 S880 V881 V883 F894 V896L827-V839 HydrophobicContact CD1-CG1 3.64Å; L829-V839 HydrophobicContact CD2-CB 4.17Å; L829-V839 HydrophobicContact CD2-CG1 3.83Å; L829-V839 HydrophobicContact CD2-CG2 3.88Å; V837-V839 HydrophobicContact CG1-CG2 4.09Å; V839-W841 HydrophobicContact CB-CZ3 4.27Å; V839-W841 HydrophobicContact CG1-CE3 4.04Å; V839-W841 HydrophobicContact CG1-CZ3 3.93Å; V839-W841 WeakPolarHBondContact O-CZ3 2.94Å; V839-I856 HydrophobicContact CG1-CG2 4.34Å; V839-S880 CarbonylContact O-C 3.57Å; V839-S880 WeakPolarHBondContact O-CA 3.29Å; V839-S880 WeakPolarHBondContact O-CB 3.3Å; V839-V881 HydrophobicContact CB-CG1 4.37Å; V839-V881 PolarHBondContact N-O 3.25Å; V839-V881 PolarHBondContact O-N 3.04Å; V839-V883 HydrophobicContact CG2-CG2 3.86Å; V839-F894 HydrophobicContact CG2-CD1 3.72Å; V839-F894 HydrophobicContact CG2-CE1 3.71Å; V839-F894 HydrophobicContact CG2-CG 4.44Å; V839-F894 HydrophobicContact CG2-CZ 4.38Å; V839-V896 HydrophobicContact CG1-CG2 4.02Å
840S88.4Confident90.2Very high32 Ų3254.7 Ų54.722%0.22428%0.284CS..EExtended strand (participates in β ladder)trans-141.2147.4179.654.40000112.4L827 Q828 F879L827-S840 WeakPolarHBondContact CA-O 3.36Å; Q828-S840 PolarHBondContact N-O 2.82Å; Q828-S840 PolarHBondContact O-N 2.91Å; S840-F879 CarbonylContact C-O 3.58Å; S840-F879 WeakPolarHBondContact CA-O 3.46Å
841W95.6Very high90Very high11 Ų1147.5 Ų47.54%0.04226%0.258CS..EExtended strand (participates in β ladder)trans-149.6167.3-174.456.690.7000111.7P824 V839 Y854 I856 I878 F879 V881 V896P824-W841 HydrophobicContact CB-CB 4.19Å; P824-W841 HydrophobicContact CB-CG 4.28Å; V839-W841 HydrophobicContact CB-CZ3 4.27Å; V839-W841 HydrophobicContact CG1-CE3 4.04Å; V839-W841 HydrophobicContact CG1-CZ3 3.93Å; V839-W841 WeakPolarHBondContact O-CZ3 2.94Å; W841-Y854 AromaticContact CD1-CD1 3.86Å; W841-Y854 AromaticContact CD1-CE1 3.65Å; W841-Y854 AromaticContact CE2-CD1 3.96Å; W841-Y854 AromaticContact CE2-CG 3.75Å; W841-Y854 HydrophobicContact CZ2-CD1 4.44Å; W841-Y854 AromaticContact CZ2-CD2 3.96Å; W841-Y854 HydrophobicContact CZ2-CD2 3.96Å; W841-Y854 AromaticContact CZ2-CG 3.79Å; W841-Y854 HydrophobicContact CZ2-CG 3.79Å; W841-Y854 AromaticContact NE1-CD1 3.22Å; W841-Y854 AromaticContact NE1-CD2 3.49Å; W841-Y854 AromaticContact NE1-CE1 3.29Å; W841-Y854 VanDerWaalsContact NE1-CE1 3.29Å; W841-Y854 AromaticContact NE1-CE2 3.56Å; W841-Y854 AromaticContact NE1-CG 3.33Å; W841-Y854 VanDerWaalsContact NE1-CG 3.33Å; W841-Y854 AromaticContact NE1-CZ 3.48Å; W841-I856 HydrophobicContact CH2-CD1 3.84Å; W841-I856 HydrophobicContact CH2-CG1 4.03Å; W841-I856 HydrophobicContact CZ2-CD1 4.47Å; W841-I856 HydrophobicContact CZ3-CD1 4.37Å; W841-I856 HydrophobicContact CZ3-CG1 4.04Å; W841-I878 WeakPolarHBondContact CZ2-O 3.48Å; W841-F879 PolarHBondContact N-O 3.42Å; W841-V881 HydrophobicContact CH2-CB 4.38Å; W841-V881 HydrophobicContact CH2-CG1 3.95Å; W841-V881 HydrophobicContact CZ3-CG1 4.03Å; W841-V896 HydrophobicContact CD2-CG1 3.88Å; W841-V896 HydrophobicContact CD2-CG2 4.41Å; W841-V896 HydrophobicContact CE3-CG1 4.13Å; W841-V896 HydrophobicContact CE3-CG2 3.94Å; W841-V896 HydrophobicContact CG-CG1 4.25Å; W841-V896 HydrophobicContact CZ2-CG1 4.44Å; W841-V896 HydrophobicContact CZ3-CG2 4.37Å
842R90.5Very high89.9Confident136 Ų13649.1 Ų49.151%0.51327%0.265SS..EExtended strand (participates in β ladder)trans-100.3154.9166.3-72.8-168.3-176.2164.516.4111.1P824 E825 E826P824-R842 WeakPolarHBondContact CA-O 3.33Å; P824-R842 WeakPolarHBondContact CB-O 3.14Å; E825-R842 HydrophobicContact CB-CB 4.21Å; E825-R842 PolarHBondContact N-O 3.38Å; E825-R842 VanDerWaalsContact N-O 3.09Å; E825-R842 PolarHBondContact O-N 2.83Å; E826-R842 HydrophobicContact CB-CG 4.3Å; E826-R842 IonicContact OE1-CZ 2.99Å; E826-R842 IonicContact OE1-NE 3.24Å; E826-R842 IonicContact OE1-NH1 2.93Å; E826-R842 PolarHBondContact OE1-NH1 3.41Å; E826-R842 IonicContact OE1-NH2 3.79Å; E826-R842 PolarHBondContact OE1-NH2 2.94Å; E826-R842 IonicContact OE2-CZ 2.96Å; E826-R842 IonicContact OE2-NE 3.46Å; E826-R842 PolarHBondContact OE2-NE 3.24Å; E826-R842 VanDerWaalsContact OE2-NE 3.1Å; E826-R842 IonicContact OE2-NH1 3.81Å; E826-R842 IonicContact OE2-NH2 2.83Å; E826-R842 PolarHBondContact OE2-NH2 3.33Å
843P87.9Confident90.1Very high59 Ų5947.1 Ų47.138%0.38326%0.258SS..PPolyproline II helixtrans-59.5157.1174.224.5-33.6000111.8Y854 F879P843-Y854 WeakPolarHBondContact CA-OH 3.39Å; P843-F879 HydrophobicContact CB-CE1 4.1Å; P843-F879 HydrophobicContact CG-CE1 4.12Å
844P91.1Very high90.3Very high7 Ų743.9 Ų43.95%0.04524%0.24CC..PPolyproline II helixtrans-61.6142.9174.6-19.831.5000112.7P820 T822 P823 E846 P847 I851 A898P820-P844 HydrophobicContact CB-CB 4.36Å; P820-P844 HydrophobicContact CB-CG 4.18Å; T822-P844 WeakPolarHBondContact O-CB 3.17Å; T822-P844 WeakPolarHBondContact OG1-CB 3.18Å; P823-P844 WeakPolarHBondContact O-CA 3.38Å; P844-E846 VanDerWaalsContact C-N 3.32Å; P844-E846 PolarHBondContact O-N 2.66Å; P844-P847 WeakPolarHBondContact O-CD 3.43Å; P844-I851 HydrophobicContact CG-CD1 4.5Å; P844-A898 HydrophobicContact CG-CB 3.52Å
845L87.3Confident90.5Very high127 Ų12747.1 Ų47.167%0.66525%0.247SC*.SBendtrans-61.5-37.6174.4-165.876.3000112.8T822 P847T822-L845 PolarHBondContact OG1-N 3.43Å; L845-P847 VanDerWaalsContact C-CD 3.49Å; L845-P847 VanDerWaalsContact O-CD 3.3Å; L845-P847 WeakPolarHBondContact O-CD 3.29Å
846E88.2Confident90.7Very high90 Ų9044.6 Ų44.642%0.42123%0.23SC..SBendtrans-114.878.5173.5-61-171.5155.300110.3P820 S821 T822 P844 N848P820-E846 WeakPolarHBondContact CA-O 3.42Å; S821-E846 WeakPolarHBondContact CB-OE2 3.49Å; S821-E846 PolarHBondContact N-O 2.62Å; S821-E846 VanDerWaalsContact N-O 3.16Å; S821-E846 WeakPolarHBondContact OG-CB 3.21Å; S821-E846 PolarHBondContact OG-OE2 2.83Å; T822-E846 HydrophobicContact CG2-CB 4Å; T822-E846 HydrophobicContact CG2-CG 4.02Å; T822-E846 PolarHBondContact OG1-N 3.42Å; P844-E846 VanDerWaalsContact C-N 3.32Å; P844-E846 PolarHBondContact O-N 2.66Å; E846-N848 VanDerWaalsContact C-N 3.26Å; E846-N848 PolarHBondContact O-N 2.84Å
847P85.4Confident90.9Very high46 Ų4645.1 Ų45.130%0.29923%0.232SC..  trans-73.6-20.3-17631.1-35.5000112.5P844 L845 G849 I851 T900P844-P847 WeakPolarHBondContact O-CD 3.43Å; L845-P847 VanDerWaalsContact C-CD 3.49Å; L845-P847 VanDerWaalsContact O-CD 3.3Å; L845-P847 WeakPolarHBondContact O-CD 3.29Å; P847-G849 PolarHBondContact O-N 2.89Å; P847-I851 HydrophobicContact CB-CD1 3.74Å; P847-I851 HydrophobicContact CB-CG1 4.22Å; P847-T900 WeakPolarHBondContact O-CG2 3.38Å
848N88.6Confident91Very high20 Ų2046 Ų4611%0.10724%0.235CC..  trans52.518.7177.8-61.4-25.9000115.4P788 F789 P817 D818 R819 S821 E846P788-N848 HydrophobicContact CB-CB 3.6Å; P788-N848 HydrophobicContact CG-CB 4.22Å; F789-N848 WeakPolarHBondContact CB-O 3.29Å; P817-N848 CarbonylContact C-O 3.52Å; P817-N848 WeakPolarHBondContact CA-O 3.36Å; D818-N848 HydrophobicContact CB-CB 3.97Å; D818-N848 PolarHBondContact N-O 2.86Å; R819-N848 WeakPolarHBondContact O-CB 3.49Å; R819-N848 PolarHBondContact O-ND2 2.86Å; S821-N848 WeakPolarHBondContact CB-ND2 3.18Å; S821-N848 PolarHBondContact N-ND2 2.96Å; S821-N848 PolarHBondContact OG-ND2 2.85Å; E846-N848 VanDerWaalsContact C-N 3.26Å; E846-N848 PolarHBondContact O-N 2.84Å
849G87Confident91.1Very high6 Ų643.9 Ų43.96%0.06223%0.225CC..SBendtrans163.5178.1-173.800000111P847 I851P847-G849 PolarHBondContact O-N 2.89Å; G849-I851 PolarHBondContact O-N 3.43Å
850I84.6Confident91Very high123 Ų12347.6 Ų47.663%0.63125%0.247SC*.  trans-72.4121.5168.2-59.6170.4000107.6F789 V852 T900F789-I850 HydrophobicContact CE1-CG1 4.2Å; F789-I850 HydrophobicContact CZ-CD1 4.29Å; F789-I850 HydrophobicContact CZ-CG1 3.83Å; I850-V852 PolarHBondContact O-N 3.26Å; I850-T900 WeakPolarHBondContact O-CA 3.45Å; I850-T900 WeakPolarHBondContact O-CB 3.47Å; I850-T900 WeakPolarHBondContact O-CG2 3.42Å
851I88.8Confident91.1Very high23 Ų2349.4 Ų49.412%0.11826%0.255CS..EExtended strand (participates in β ladder)trans-66.8127171.3-52.9-52000107.7P820 P844 P847 G849 Y854 A898 S899 T900P820-I851 HydrophobicContact CG-CD1 3.72Å; P844-I851 HydrophobicContact CG-CD1 4.5Å; P847-I851 HydrophobicContact CB-CD1 3.74Å; P847-I851 HydrophobicContact CB-CG1 4.22Å; G849-I851 PolarHBondContact O-N 3.43Å; I851-Y854 HydrophobicContact CG2-CD2 4.41Å; I851-Y854 HydrophobicContact CG2-CE1 4.28Å; I851-Y854 HydrophobicContact CG2-CE2 3.93Å; I851-A898 HydrophobicContact CD1-CB 4.13Å; I851-A898 HydrophobicContact CG2-CB 4.22Å; I851-S899 CarbonylContact C-O 3.59Å; I851-S899 WeakPolarHBondContact CA-O 3.5Å; I851-S899 WeakPolarHBondContact CG2-O 3.33Å; I851-T900 HydrophobicContact CD1-CG2 3.94Å
852V89.3Confident90.8Very high65 Ų6553.1 Ų53.139%0.39428%0.275SS..EExtended strand (participates in β ladder)trans-106.2-22179.5-57.50000112.3I850 G876 S899 K901I850-V852 PolarHBondContact O-N 3.26Å; V852-G876 PolarHBondContact O-N 3.18Å; V852-S899 PolarHBondContact N-O 3.09Å; V852-K901 HydrophobicContact CG1-CB 4.27Å
853S91.8Very high90.6Very high35 Ų3551.9 Ų51.925%0.24529%0.287CS..EExtended strand (participates in β ladder)trans-160.8156.1174.656.60000113.4E874 S899S853-E874 CarbonylContact C-O 3.57Å; S853-E874 WeakPolarHBondContact CA-O 3.3Å; S853-E874 WeakPolarHBondContact CB-O 3.42Å; S853-S899 PolarHBondContact N-O 3.37Å; S853-S899 PolarHBondContact O-N 2.84Å
854Y95.1Very high90.6Very high2 Ų252.9 Ų52.91%0.00829%0.285CS..EExtended strand (participates in β ladder)trans-109.9135.5164.6-67.8-83000109.9P824 W841 P843 I851 S873 E874 G876 I878 F879 V896 G897 A898P824-Y854 HydrophobicContact CB-CE1 4.42Å; P824-Y854 HydrophobicContact CG-CD1 4.09Å; P824-Y854 HydrophobicContact CG-CE1 4.04Å; W841-Y854 AromaticContact CD1-CD1 3.86Å; W841-Y854 AromaticContact CD1-CE1 3.65Å; W841-Y854 AromaticContact CE2-CD1 3.96Å; W841-Y854 AromaticContact CE2-CG 3.75Å; W841-Y854 HydrophobicContact CZ2-CD1 4.44Å; W841-Y854 AromaticContact CZ2-CD2 3.96Å; W841-Y854 HydrophobicContact CZ2-CD2 3.96Å; W841-Y854 AromaticContact CZ2-CG 3.79Å; W841-Y854 HydrophobicContact CZ2-CG 3.79Å; W841-Y854 AromaticContact NE1-CD1 3.22Å; W841-Y854 AromaticContact NE1-CD2 3.49Å; W841-Y854 AromaticContact NE1-CE1 3.29Å; W841-Y854 VanDerWaalsContact NE1-CE1 3.29Å; W841-Y854 AromaticContact NE1-CE2 3.56Å; W841-Y854 AromaticContact NE1-CG 3.33Å; W841-Y854 VanDerWaalsContact NE1-CG 3.33Å; W841-Y854 AromaticContact NE1-CZ 3.48Å; P843-Y854 WeakPolarHBondContact CA-OH 3.39Å; I851-Y854 HydrophobicContact CG2-CD2 4.41Å; I851-Y854 HydrophobicContact CG2-CE1 4.28Å; I851-Y854 HydrophobicContact CG2-CE2 3.93Å; Y854-S873 CarbonylContact O-C 3.56Å; Y854-S873 WeakPolarHBondContact O-CA 3.21Å; Y854-E874 PolarHBondContact N-O 2.9Å; Y854-E874 PolarHBondContact O-N 3.11Å; Y854-G876 WeakPolarHBondContact CE2-O 3.35Å; Y854-I878 WeakPolarHBondContact CD2-O 3.3Å; Y854-I878 WeakPolarHBondContact CE2-O 3.44Å; Y854-F879 HydrophobicContact CE2-CD1 4.36Å; Y854-F879 HydrophobicContact CE2-CE1 4.26Å; Y854-V896 HydrophobicContact CD1-CG1 4.16Å; Y854-G897 CarbonylContact C-O 3.55Å; Y854-G897 WeakPolarHBondContact CA-O 3.08Å; Y854-A898 HydrophobicContact CD1-CB 3.87Å; Y854-A898 HydrophobicContact CE1-CB 3.64Å
855R94.8Very high90.5Very high101 Ų10155.7 Ų55.738%0.38130%0.304SS..EExtended strand (participates in β ladder)trans-107.1120.1172.4-170.3-178-62.2168.35109.4L857 L872 V896 G897 F907R855-L857 HydrophobicContact CG-CD2 4.26Å; R855-L872 WeakPolarHBondContact CA-O 3.43Å; R855-V896 WeakPolarHBondContact O-CA 3.31Å; R855-G897 PolarHBondContact N-O 3.22Å; R855-G897 PolarHBondContact O-N 3.1Å; R855-F907 HydrophobicContact CB-CE1 4.41Å
856I96Very high90.3Very high0 Ų054.8 Ų54.80%030%0.296CS..EExtended strand (participates in β ladder)trans-98.4123.3175.1-54.375.1000106.8V839 W841 N871 L872 E874 V881 F894 V896V839-I856 HydrophobicContact CG1-CG2 4.34Å; W841-I856 HydrophobicContact CH2-CD1 3.84Å; W841-I856 HydrophobicContact CH2-CG1 4.03Å; W841-I856 HydrophobicContact CZ2-CD1 4.47Å; W841-I856 HydrophobicContact CZ3-CD1 4.37Å; W841-I856 HydrophobicContact CZ3-CG1 4.04Å; I856-N871 CarbonylContact O-C 3.55Å; I856-N871 WeakPolarHBondContact O-CA 3.49Å; I856-L872 HydrophobicContact CB-CB 4.22Å; I856-L872 HydrophobicContact CD1-CD2 4.38Å; I856-L872 PolarHBondContact N-O 3.25Å; I856-L872 PolarHBondContact O-N 3.05Å; I856-E874 HydrophobicContact CD1-CB 4.45Å; I856-E874 HydrophobicContact CD1-CG 4.01Å; I856-V881 HydrophobicContact CD1-CG1 4.03Å; I856-V881 HydrophobicContact CG1-CG1 3.99Å; I856-F894 HydrophobicContact CG2-CD1 4.06Å; I856-V896 HydrophobicContact CG1-CG1 4.29Å; I856-V896 HydrophobicContact CG1-CG2 4.07Å; I856-V896 HydrophobicContact CG2-CG2 4.29Å
857L95.7Very high90.2Very high12 Ų1257.2 Ų57.26%0.06331%0.312CS..EExtended strand (participates in β ladder)trans-110.7136.1172.5-66.5-175.2000109.8R855 W869 R870 N871 F894 K895 F907R855-L857 HydrophobicContact CG-CD2 4.26Å; L857-W869 HydrophobicContact CB-CB 4.34Å; L857-W869 HydrophobicContact CB-CE3 4.06Å; L857-R870 CarbonylContact C-O 3.53Å; L857-R870 WeakPolarHBondContact CA-O 3.42Å; L857-N871 HydrophobicContact CD2-CB 3.46Å; L857-N871 VanDerWaalsContact CD2-CB 3.46Å; L857-F894 CarbonylContact O-C 3.25Å; L857-F894 WeakPolarHBondContact O-CA 3.27Å; L857-K895 HydrophobicContact CB-CG 4.08Å; L857-K895 PolarHBondContact N-O 2.83Å; L857-K895 PolarHBondContact O-N 2.87Å; L857-F907 HydrophobicContact CB-CE1 4.4Å; L857-F907 HydrophobicContact CD1-CD1 4.4Å; L857-F907 HydrophobicContact CD1-CE1 3.65Å; L857-F907 HydrophobicContact CD1-CE2 4.04Å; L857-F907 HydrophobicContact CD1-CZ 3.43Å; L857-F907 VanDerWaalsContact CD1-CZ 3.43Å; L857-F907 HydrophobicContact CG-CE1 3.67Å; L857-F907 HydrophobicContact CG-CZ 3.88Å
858Y95.7Very high90.4Very high18 Ų1860.1 Ų60.17%0.07132%0.321CS..EExtended strand (participates in β ladder)trans-145147.3178.670.4-76.9000114.9R870 V883 L886 Y892 F893 F894Y858-R870 HydrophobicContact CD1-CB 3.81Å; Y858-R870 VanDerWaalsContact CD1-O 3.31Å; Y858-R870 WeakPolarHBondContact CD1-O 3.45Å; Y858-R870 HydrophobicContact CD2-CB 4.2Å; Y858-R870 HydrophobicContact CE1-CB 3.43Å; Y858-R870 VanDerWaalsContact CE1-CB 3.43Å; Y858-R870 HydrophobicContact CE2-CB 3.87Å; Y858-R870 VanDerWaalsContact CE2-CD 3.5Å; Y858-R870 HydrophobicContact CE2-CG 4.3Å; Y858-R870 HydrophobicContact CG-CB 4.17Å; Y858-R870 VanDerWaalsContact CZ-CB 3.46Å; Y858-R870 PolarHBondContact N-O 2.68Å; Y858-R870 WeakPolarHBondContact O-CB 3.27Å; Y858-R870 PolarHBondContact O-N 2.99Å; Y858-R870 WeakPolarHBondContact OH-CD 3.44Å; Y858-V883 HydrophobicContact CD1-CG1 4.23Å; Y858-V883 HydrophobicContact CD2-CG1 4.33Å; Y858-V883 HydrophobicContact CE1-CG1 3.71Å; Y858-V883 HydrophobicContact CE2-CG1 3.82Å; Y858-V883 VanDerWaalsContact CZ-CG1 3.49Å; Y858-L886 HydrophobicContact CD2-CD2 4.16Å; Y858-L886 HydrophobicContact CE2-CD2 3.58Å; Y858-Y892 HydrophobicContact CD2-CD1 4.04Å; Y858-Y892 HydrophobicContact CD2-CE1 4.37Å; Y858-F893 CarbonylContact C-O 3.57Å; Y858-F893 WeakPolarHBondContact CA-O 3.5Å; Y858-F893 WeakPolarHBondContact CB-O 3.45Å; Y858-F894 VanDerWaalsContact CB-CD1 3.46Å; Y858-F894 HydrophobicContact CD1-CE1 4.34Å; Y858-F894 HydrophobicContact CD2-CE1 4.19Å; Y858-F894 HydrophobicContact CD2-CZ 4.34Å; Y858-F894 HydrophobicContact CG-CD1 4.2Å; Y858-F894 AromaticContact CG-CE1 3.79Å; Y858-F894 HydrophobicContact CG-CE1 3.79Å; Y858-F894 HydrophobicContact CG-CZ 4.36Å
859T95.6Very high90.7Very high9 Ų960 Ų606%0.05532%0.32CS..EExtended strand (participates in β ladder)trans-145.1162.1179.9-171.50000111.8N861 L862 W869 Y892 F893T859-N861 WeakPolarHBondContact CG2-O 3.46Å; T859-N861 PolarHBondContact OG1-N 2.86Å; T859-N861 PolarHBondContact OG1-O 2.63Å; T859-L862 HydrophobicContact CG2-CD2 4.28Å; T859-W869 HydrophobicContact CG2-CD2 3.57Å; T859-W869 HydrophobicContact CG2-CE3 3.79Å; T859-W869 HydrophobicContact CG2-CG 4.24Å; T859-W869 HydrophobicContact CG2-CH2 3.75Å; T859-W869 HydrophobicContact CG2-CZ2 3.51Å; T859-W869 HydrophobicContact CG2-CZ3 3.87Å; T859-Y892 WeakPolarHBondContact O-CA 3.49Å; T859-F893 HydrophobicContact CG2-CB 4.09Å; T859-F893 HydrophobicContact CG2-CD2 4.36Å; T859-F893 PolarHBondContact N-O 3.25Å; T859-F893 PolarHBondContact O-N 2.96Å
860V94.3Very high91Very high77 Ų7766 Ų6647%0.46734%0.34SS..SBendtrans-96.1-10.2165.3-62.30000112.6T890 Y892V860-T890 HydrophobicContact CB-CG2 4.24Å; V860-T890 HydrophobicContact CG1-CG2 3.62Å; V860-Y892 HydrophobicContact CG1-CD1 3.57Å; V860-Y892 HydrophobicContact CG1-CE1 3.17Å; V860-Y892 HydrophobicContact CG1-CE2 4.29Å; V860-Y892 HydrophobicContact CG1-CG 4.28Å
861N90.6Very high91.5Very high71 Ų7165.5 Ų65.538%0.3834%0.339SS..  trans-138.9110-175.1-177-2.9000109.7T859 S863 K864T859-N861 WeakPolarHBondContact CG2-O 3.46Å; T859-N861 PolarHBondContact OG1-N 2.86Å; T859-N861 PolarHBondContact OG1-O 2.63Å; N861-S863 PolarHBondContact O-N 2.87Å; N861-S863 VanDerWaalsContact OD1-CB 3.27Å; N861-S863 WeakPolarHBondContact OD1-CB 3.32Å; N861-S863 PolarHBondContact OD1-N 2.82Å; N861-S863 PolarHBondContact OD1-OG 3.35Å; N861-K864 HydrophobicContact CB-CD 4.42Å; N861-K864 HydrophobicContact CB-CG 4.41Å; N861-K864 PolarHBondContact O-N 2.81Å
862L88.8Confident91.7Very high88 Ų8866.9 Ų66.946%0.46135%0.346SS..THydrogen-bonded Turntrans-66.5-19.5178-70.1177.6000113.7T859 K864 W869 F893 V910T859-L862 HydrophobicContact CG2-CD2 4.28Å; L862-K864 PolarHBondContact O-N 2.74Å; L862-W869 HydrophobicContact CD2-CH2 3.6Å; L862-W869 HydrophobicContact CD2-CZ2 3.73Å; L862-F893 HydrophobicContact CD1-CD1 3.74Å; L862-F893 HydrophobicContact CD1-CD2 4.47Å; L862-F893 HydrophobicContact CD1-CE1 3.61Å; L862-F893 HydrophobicContact CD1-CE2 4.36Å; L862-F893 HydrophobicContact CD1-CG 4.18Å; L862-F893 HydrophobicContact CD1-CZ 3.94Å; L862-F893 HydrophobicContact CD2-CB 3.65Å; L862-F893 HydrophobicContact CD2-CD1 3.8Å; L862-F893 HydrophobicContact CD2-CD2 3.99Å; L862-F893 HydrophobicContact CD2-CE1 4.47Å; L862-F893 HydrophobicContact CD2-CG 3.52Å; L862-F893 HydrophobicContact CG-CB 4.39Å; L862-F893 HydrophobicContact CG-CD1 3.83Å; L862-F893 HydrophobicContact CG-CD2 3.79Å; L862-F893 HydrophobicContact CG-CE1 4.01Å; L862-F893 HydrophobicContact CG-CE2 3.97Å; L862-F893 HydrophobicContact CG-CG 3.73Å; L862-F893 HydrophobicContact CG-CZ 4.07Å; L862-V910 HydrophobicContact CD2-CG1 4.16Å
863S87Confident91.8Very high111 Ų11167.3 Ų67.378%0.77635%0.352SS*.THydrogen-bonded Turntrans-75.6-6.1177.1-48.90000113.3N861N861-S863 PolarHBondContact O-N 2.87Å; N861-S863 VanDerWaalsContact OD1-CB 3.27Å; N861-S863 WeakPolarHBondContact OD1-CB 3.32Å; N861-S863 PolarHBondContact OD1-N 2.82Å; N861-S863 PolarHBondContact OD1-OG 3.35Å
864K87.9Confident91.8Very high80 Ų8068 Ų6835%0.34835%0.351SS..SBendtrans-78139.1171.9-79.7177.8161.4-87.90110.7N861 L862 E868 W869N861-K864 HydrophobicContact CB-CD 4.42Å; N861-K864 HydrophobicContact CB-CG 4.41Å; N861-K864 PolarHBondContact O-N 2.81Å; L862-K864 PolarHBondContact O-N 2.74Å; K864-E868 HydrophobicContact CB-CB 4.34Å; K864-E868 IonicContact NZ-OE2 2.94Å; K864-E868 PolarHBondContact NZ-OE2 2.66Å; K864-W869 PolarHBondContact O-NE1 2.96Å
865P87.4Confident91.4Very high66 Ų6672.9 Ų72.943%0.42938%0.378SS..  trans-65.1153.117434.2-38.1000110.2D867 E868P865-D867 VanDerWaalsContact CB-OD1 3.25Å; P865-D867 WeakPolarHBondContact CB-OD1 3.5Å; P865-D867 WeakPolarHBondContact CG-OD1 3.38Å; P865-D867 PolarHBondContact O-N 2.95Å; P865-E868 HydrophobicContact CG-CB 4.3Å; P865-E868 HydrophobicContact CG-CG 4Å; P865-E868 WeakPolarHBondContact O-CB 3.37Å; P865-E868 PolarHBondContact O-N 2.92Å
866E83.8Confident90.4Very high107 Ų10768.6 Ų68.650%0.536%0.364SS..G310 helixtrans-66.9-22.4-165.2-55.4-161.9152.900114.7E868 W869 K895E866-E868 VanDerWaalsContact C-N 3.3Å; E866-W869 WeakPolarHBondContact O-CB 3.49Å; E866-W869 PolarHBondContact O-N 3.46Å; E866-K895 IonicContact OE1-NZ 3.8Å; E866-K895 PolarHBondContact OE1-NZ 3.04Å; E866-K895 IonicContact OE2-NZ 3.72Å; E866-K895 PolarHBondContact OE2-NZ 2.83Å
867D86.6Confident89.4Confident141 Ų14171 Ų7175%0.75439%0.39SS*.G310 helixtrans-71.9-21.4172.959.3-36.7000113.1P865P865-D867 VanDerWaalsContact CB-OD1 3.25Å; P865-D867 WeakPolarHBondContact CB-OD1 3.5Å; P865-D867 WeakPolarHBondContact CG-OD1 3.38Å; P865-D867 PolarHBondContact O-N 2.95Å
868E89.8Confident88.6Confident107 Ų10773 Ų7350%0.540%0.4SS..G310 helixtrans-87.3-2.2169.5-73.2-170.9-15200113.9K864 P865 E866K864-E868 HydrophobicContact CB-CB 4.34Å; K864-E868 IonicContact NZ-OE2 2.94Å; K864-E868 PolarHBondContact NZ-OE2 2.66Å; P865-E868 HydrophobicContact CG-CB 4.3Å; P865-E868 HydrophobicContact CG-CG 4Å; P865-E868 WeakPolarHBondContact O-CB 3.37Å; P865-E868 PolarHBondContact O-N 2.92Å; E866-E868 VanDerWaalsContact C-N 3.3Å
869W95.1Very high88.1Confident19 Ų1976.7 Ų76.77%0.07242%0.416CS..SBendtrans-74144.1175.6-70.334.9000109.7L857 T859 L862 K864 E866 N871 F893 K895 V910L857-W869 HydrophobicContact CB-CB 4.34Å; L857-W869 HydrophobicContact CB-CE3 4.06Å; T859-W869 HydrophobicContact CG2-CD2 3.57Å; T859-W869 HydrophobicContact CG2-CE3 3.79Å; T859-W869 HydrophobicContact CG2-CG 4.24Å; T859-W869 HydrophobicContact CG2-CH2 3.75Å; T859-W869 HydrophobicContact CG2-CZ2 3.51Å; T859-W869 HydrophobicContact CG2-CZ3 3.87Å; L862-W869 HydrophobicContact CD2-CH2 3.6Å; L862-W869 HydrophobicContact CD2-CZ2 3.73Å; K864-W869 PolarHBondContact O-NE1 2.96Å; E866-W869 WeakPolarHBondContact O-CB 3.49Å; E866-W869 PolarHBondContact O-N 3.46Å; W869-N871 PolarHBondContact O-N 3.03Å; W869-F893 HydrophobicContact CH2-CB 4.43Å; W869-K895 HydrophobicContact CZ3-CD 4.29Å; W869-K895 HydrophobicContact CZ3-CG 4.18Å; W869-V910 HydrophobicContact CH2-CG1 4.37Å; W869-V910 HydrophobicContact CH2-CG2 4.06Å
870R93.3Very high87.8Confident132 Ų13279.1 Ų79.150%0.49843%0.434SS..EExtended strand (participates in β ladder)trans-65.6134.4174.8-66.1-175.5177.8-171.52108.7L857 Y858L857-R870 CarbonylContact C-O 3.53Å; L857-R870 WeakPolarHBondContact CA-O 3.42Å; Y858-R870 HydrophobicContact CD1-CB 3.81Å; Y858-R870 VanDerWaalsContact CD1-O 3.31Å; Y858-R870 WeakPolarHBondContact CD1-O 3.45Å; Y858-R870 HydrophobicContact CD2-CB 4.2Å; Y858-R870 HydrophobicContact CE1-CB 3.43Å; Y858-R870 VanDerWaalsContact CE1-CB 3.43Å; Y858-R870 HydrophobicContact CE2-CB 3.87Å; Y858-R870 VanDerWaalsContact CE2-CD 3.5Å; Y858-R870 HydrophobicContact CE2-CG 4.3Å; Y858-R870 HydrophobicContact CG-CB 4.17Å; Y858-R870 VanDerWaalsContact CZ-CB 3.46Å; Y858-R870 PolarHBondContact N-O 2.68Å; Y858-R870 WeakPolarHBondContact O-CB 3.27Å; Y858-R870 PolarHBondContact O-N 2.99Å; Y858-R870 WeakPolarHBondContact OH-CD 3.44Å
871N93.3Very high87.7Confident111 Ų11176.3 Ų76.359%0.59442%0.417SS*.EExtended strand (participates in β ladder)trans-112.4149.8-178.964.49.4000111.9I856 L857 W869I856-N871 CarbonylContact O-C 3.55Å; I856-N871 WeakPolarHBondContact O-CA 3.49Å; L857-N871 HydrophobicContact CD2-CB 3.46Å; L857-N871 VanDerWaalsContact CD2-CB 3.46Å; W869-N871 PolarHBondContact O-N 3.03Å
872L93.3Very high87.9Confident52 Ų5276 Ų7627%0.27241%0.413SS..EExtended strand (participates in β ladder)trans-137.7147.6168.5-159.595.2000106.9R855 I856 E874 V881R855-L872 WeakPolarHBondContact CA-O 3.43Å; I856-L872 HydrophobicContact CB-CB 4.22Å; I856-L872 HydrophobicContact CD1-CD2 4.38Å; I856-L872 PolarHBondContact N-O 3.25Å; I856-L872 PolarHBondContact O-N 3.05Å; L872-E874 HydrophobicContact CD2-CG 4.15Å; L872-E874 VanDerWaalsContact CD2-OE1 3.28Å; L872-E874 WeakPolarHBondContact CD2-OE1 3.44Å; L872-V881 HydrophobicContact CD2-CB 4.29Å; L872-V881 HydrophobicContact CD2-CG1 3.79Å; L872-V881 HydrophobicContact CD2-CG2 3.56Å
873S91.8Very high88.2Confident74 Ų7471.9 Ų71.952%0.51739%0.392SS..EExtended strand (participates in β ladder)trans-134124.7178.1-61.60000109.8Y854Y854-S873 CarbonylContact O-C 3.56Å; Y854-S873 WeakPolarHBondContact O-CA 3.21Å
874E92Very high88.4Confident50 Ų5074.9 Ų74.923%0.23439%0.386CS..EExtended strand (participates in β ladder)trans-116.2159.7-179.6-65.6-56142.800110.4S853 Y854 I856 L872 I878 V881S853-E874 CarbonylContact C-O 3.57Å; S853-E874 WeakPolarHBondContact CA-O 3.3Å; S853-E874 WeakPolarHBondContact CB-O 3.42Å; Y854-E874 PolarHBondContact N-O 2.9Å; Y854-E874 PolarHBondContact O-N 3.11Å; I856-E874 HydrophobicContact CD1-CB 4.45Å; I856-E874 HydrophobicContact CD1-CG 4.01Å; L872-E874 HydrophobicContact CD2-CG 4.15Å; L872-E874 VanDerWaalsContact CD2-OE1 3.28Å; L872-E874 WeakPolarHBondContact CD2-OE1 3.44Å; E874-I878 HydrophobicContact CB-CB 4.12Å; E874-I878 HydrophobicContact CB-CD1 4.18Å; E874-I878 HydrophobicContact CB-CG2 4.07Å; E874-I878 HydrophobicContact CG-CG2 4.35Å; E874-I878 WeakPolarHBondContact OE2-CD1 3.09Å; E874-V881 HydrophobicContact CG-CB 4.01Å; E874-V881 HydrophobicContact CG-CG1 4.3Å; E874-V881 HydrophobicContact CG-CG2 3.94Å
875D87.2Confident88.5Confident105 Ų10573.7 Ų73.756%0.56140%0.397SS*.EExtended strand (participates in β ladder)trans-64.7154.2177.4-172.586.6000112.3G877 I878D875-G877 PolarHBondContact O-N 3.43Å; D875-G877 PolarHBondContact OD2-N 3.46Å; D875-I878 HydrophobicContact CB-CD1 4.1Å; D875-I878 HydrophobicContact CB-CG1 4.29Å; D875-I878 WeakPolarHBondContact O-CB 3.44Å; D875-I878 PolarHBondContact O-N 3.43Å
876G72.8Confident88.8Confident10 Ų1071 Ų7110%0.10338%0.379CS..THydrogen-bonded Turntrans-63.3-17.518000000115.2V852 Y854 I878V852-G876 PolarHBondContact O-N 3.18Å; Y854-G876 WeakPolarHBondContact CE2-O 3.35Å; G876-I878 VanDerWaalsContact C-N 3.34Å
877G75.4Confident89.2Confident51 Ų5169.1 Ų69.153%0.52638%0.377SS..THydrogen-bonded Turntrans-81.4-4.6170.400000115.3D875 F879D875-G877 PolarHBondContact O-N 3.43Å; D875-G877 PolarHBondContact OD2-N 3.46Å; G877-F879 WeakPolarHBondContact O-CE2 3.45Å
878I78.6Confident89.3Confident55 Ų5563.5 Ų63.528%0.28235%0.352SS..  trans-98.7129.8-175.4-62.9177.1000110.7W841 Y854 E874 D875 G876 S880W841-I878 WeakPolarHBondContact CZ2-O 3.48Å; Y854-I878 WeakPolarHBondContact CD2-O 3.3Å; Y854-I878 WeakPolarHBondContact CE2-O 3.44Å; E874-I878 HydrophobicContact CB-CB 4.12Å; E874-I878 HydrophobicContact CB-CD1 4.18Å; E874-I878 HydrophobicContact CB-CG2 4.07Å; E874-I878 HydrophobicContact CG-CG2 4.35Å; E874-I878 WeakPolarHBondContact OE2-CD1 3.09Å; D875-I878 HydrophobicContact CB-CD1 4.1Å; D875-I878 HydrophobicContact CB-CG1 4.29Å; D875-I878 WeakPolarHBondContact O-CB 3.44Å; D875-I878 PolarHBondContact O-N 3.43Å; G876-I878 VanDerWaalsContact C-N 3.34Å; I878-S880 WeakPolarHBondContact CG2-O 3.46Å
879F86.6Confident89.2Confident94 Ų9459.3 Ų59.341%0.41234%0.338SS..  trans-115.9-0-178.9-56.7-70.7000113.5S840 W841 P843 Y854 G877S840-F879 CarbonylContact C-O 3.58Å; S840-F879 WeakPolarHBondContact CA-O 3.46Å; W841-F879 PolarHBondContact N-O 3.42Å; P843-F879 HydrophobicContact CB-CE1 4.1Å; P843-F879 HydrophobicContact CG-CE1 4.12Å; Y854-F879 HydrophobicContact CE2-CD1 4.36Å; Y854-F879 HydrophobicContact CE2-CE1 4.26Å; G877-F879 WeakPolarHBondContact O-CE2 3.45Å
880S88.6Confident89.1Confident60 Ų6060.4 Ų60.442%0.4235%0.347SS..EExtended strand (participates in β ladder)trans-155.8147.9174.263.30000112.5V839 I878V839-S880 CarbonylContact O-C 3.57Å; V839-S880 WeakPolarHBondContact O-CA 3.29Å; V839-S880 WeakPolarHBondContact O-CB 3.3Å; I878-S880 WeakPolarHBondContact CG2-O 3.46Å
881V92.6Very high89.2Confident19 Ų1960.3 Ų60.312%0.11535%0.346CS..EExtended strand (participates in β ladder)trans-147.4144.7178.369.90000112.1V839 W841 I856 L872 E874 V883V839-V881 HydrophobicContact CB-CG1 4.37Å; V839-V881 PolarHBondContact N-O 3.25Å; V839-V881 PolarHBondContact O-N 3.04Å; W841-V881 HydrophobicContact CH2-CB 4.38Å; W841-V881 HydrophobicContact CH2-CG1 3.95Å; W841-V881 HydrophobicContact CZ3-CG1 4.03Å; I856-V881 HydrophobicContact CD1-CG1 4.03Å; I856-V881 HydrophobicContact CG1-CG1 3.99Å; L872-V881 HydrophobicContact CD2-CB 4.29Å; L872-V881 HydrophobicContact CD2-CG1 3.79Å; L872-V881 HydrophobicContact CD2-CG2 3.56Å; E874-V881 HydrophobicContact CG-CB 4.01Å; E874-V881 HydrophobicContact CG-CG1 4.3Å; E874-V881 HydrophobicContact CG-CG2 3.94Å; V881-V883 HydrophobicContact CG1-CG2 4.33Å
882E94.6Very high89.3Confident64 Ų6455.3 Ų55.330%0.29932%0.319SS..EExtended strand (participates in β ladder)trans-92.4110.4174.5-169.4-166.214900110.6L832 S836 R884L832-E882 HydrophobicContact CD1-CG 3.72Å; S836-E882 WeakPolarHBondContact CB-OE1 3.41Å; E882-R884 HydrophobicContact CG-CG 4.13Å; E882-R884 PolarHBondContact O-N 2.79Å; E882-R884 WeakPolarHBondContact OE1-CG 3.38Å; E882-R884 IonicContact OE1-CZ 3.67Å; E882-R884 IonicContact OE1-NE 3.62Å; E882-R884 PolarHBondContact OE1-NE 2.95Å; E882-R884 IonicContact OE1-NH2 3.44Å; E882-R884 PolarHBondContact OE1-NH2 3.32Å; E882-R884 IonicContact OE2-CZ 3.18Å; E882-R884 IonicContact OE2-NE 2.78Å; E882-R884 PolarHBondContact OE2-NE 2.97Å; E882-R884 IonicContact OE2-NH2 3.72Å; E882-R884 PolarHBondContact OE2-NH2 3.49Å
883V94.3Very high89.4Confident2 Ų254.4 Ų54.41%0.01231%0.313CS..EExtended strand (participates in β ladder)trans-86.1112.2175.8-177.20000109S836 V837 V839 Y858 V881 L886 F894S836-V883 VanDerWaalsContact CA-O 3.24Å; S836-V883 WeakPolarHBondContact CA-O 3.21Å; V837-V883 PolarHBondContact N-O 3.17Å; V837-V883 PolarHBondContact O-N 2.94Å; V839-V883 HydrophobicContact CG2-CG2 3.86Å; Y858-V883 HydrophobicContact CD1-CG1 4.23Å; Y858-V883 HydrophobicContact CD2-CG1 4.33Å; Y858-V883 HydrophobicContact CE1-CG1 3.71Å; Y858-V883 HydrophobicContact CE2-CG1 3.82Å; Y858-V883 VanDerWaalsContact CZ-CG1 3.49Å; V881-V883 HydrophobicContact CG1-CG2 4.33Å; V883-L886 HydrophobicContact CG1-CD2 4.06Å; V883-F894 HydrophobicContact CB-CE1 4.17Å; V883-F894 HydrophobicContact CG1-CE1 4.27Å; V883-F894 HydrophobicContact CG2-CE1 4.01Å
884R91.8Very high89.6Confident173 Ų17350.9 Ų50.965%0.65329%0.288SS*.EExtended strand (participates in β ladder)trans-103.1166.8-177-64.3-177.2173.11785.5112.4S835 E882S835-R884 CarbonylContact O-C 3.54Å; E882-R884 HydrophobicContact CG-CG 4.13Å; E882-R884 PolarHBondContact O-N 2.79Å; E882-R884 WeakPolarHBondContact OE1-CG 3.38Å; E882-R884 IonicContact OE1-CZ 3.67Å; E882-R884 IonicContact OE1-NE 3.62Å; E882-R884 PolarHBondContact OE1-NE 2.95Å; E882-R884 IonicContact OE1-NH2 3.44Å; E882-R884 PolarHBondContact OE1-NH2 3.32Å; E882-R884 IonicContact OE2-CZ 3.18Å; E882-R884 IonicContact OE2-NE 2.78Å; E882-R884 PolarHBondContact OE2-NE 2.97Å; E882-R884 IonicContact OE2-NH2 3.72Å; E882-R884 PolarHBondContact OE2-NH2 3.49Å
885G89.7Confident89.8Confident56 Ų5649 Ų4958%0.57728%0.279SS*.SBendtrans78.130.3178.500000113.3S835S835-G885 PolarHBondContact O-N 3.43Å
886L93.3Very high90.2Very high10 Ų1044 Ų445%0.05225%0.253CS..PPolyproline II helixtrans-86.4160.1174.6-52.9-177.7000110.9S835 V837 Y858 V883 Y892 F894 T915S835-L886 WeakPolarHBondContact CA-O 3.41Å; S835-L886 WeakPolarHBondContact CB-O 3.32Å; S835-L886 PolarHBondContact O-N 3.21Å; V837-L886 HydrophobicContact CB-CD1 3.84Å; V837-L886 HydrophobicContact CG2-CD1 3.57Å; Y858-L886 HydrophobicContact CD2-CD2 4.16Å; Y858-L886 HydrophobicContact CE2-CD2 3.58Å; V883-L886 HydrophobicContact CG1-CD2 4.06Å; L886-Y892 HydrophobicContact CB-CD2 4.5Å; L886-Y892 HydrophobicContact CB-CE2 3.74Å; L886-Y892 HydrophobicContact CD1-CD2 4.36Å; L886-Y892 HydrophobicContact CD1-CE2 4.4Å; L886-Y892 HydrophobicContact CD2-CD1 4.14Å; L886-Y892 HydrophobicContact CD2-CE1 3.71Å; L886-Y892 HydrophobicContact CD2-CE2 4.22Å; L886-Y892 HydrophobicContact CG-CE2 4.34Å; L886-F894 HydrophobicContact CD1-CZ 4.44Å; L886-T915 HydrophobicContact CB-CG2 4.13Å; L886-T915 HydrophobicContact CD1-CG2 4.1Å
887S92.2Very high91.2Very high67 Ų6743.6 Ų43.647%0.46925%0.249SC..PPolyproline II helixtrans-93134.1176.5-60.20000110.2S834 T890 Y892 T915S834-S887 CarbonylContact O-C 3.48Å; S887-T890 WeakPolarHBondContact CB-OG1 3.31Å; S887-T890 VanDerWaalsContact O-CB 3.23Å; S887-T890 WeakPolarHBondContact O-CB 3.14Å; S887-T890 PolarHBondContact O-N 2.8Å; S887-T890 PolarHBondContact O-OG1 2.83Å; S887-Y892 PolarHBondContact N-OH 2.92Å; S887-T915 PolarHBondContact O-OG1 3.32Å
888G89.4Confident92.1Very high22 Ų2241.2 Ų41.223%0.22722%0.224CC..THydrogen-bonded Turntrans-65.9150.3-179.900000113.2S834 T890 P916S834-G888 WeakPolarHBondContact O-CA 3.4Å; S834-G888 PolarHBondContact O-N 3.17Å; G888-T890 PolarHBondContact O-N 2.84Å; G888-T890 VanDerWaalsContact O-N 3.11Å; G888-T890 PolarHBondContact O-OG1 3.29Å; G888-P916 CarbonylContact C-O 3.56Å; G888-P916 VanDerWaalsContact CA-O 3.29Å; G888-P916 WeakPolarHBondContact CA-O 3.34Å
889G88.5Confident92.7Very high19 Ų1938.9 Ų38.920%0.19621%0.213CC..THydrogen-bonded Turntrans67.70.2-176.200000115Q914 T915 P916G889-Q914 PolarHBondContact O-NE2 2.9Å; G889-T915 WeakPolarHBondContact CA-O 3.28Å; G889-T915 PolarHBondContact N-O 2.98Å; G889-T915 VanDerWaalsContact N-O 3.11Å; G889-T915 PolarHBondContact N-OG1 2.9Å; G889-P916 PolarHBondContact N-O 2.9Å
890T92.3Very high93Very high43 Ų4334.7 Ų34.726%0.26420%0.195SC..  trans-93.9139.2-169.6-55.40000110.8V860 S887 G888 Y892 T915V860-T890 HydrophobicContact CB-CG2 4.24Å; V860-T890 HydrophobicContact CG1-CG2 3.62Å; S887-T890 WeakPolarHBondContact CB-OG1 3.31Å; S887-T890 VanDerWaalsContact O-CB 3.23Å; S887-T890 WeakPolarHBondContact O-CB 3.14Å; S887-T890 PolarHBondContact O-N 2.8Å; S887-T890 PolarHBondContact O-OG1 2.83Å; G888-T890 PolarHBondContact O-N 2.84Å; G888-T890 VanDerWaalsContact O-N 3.11Å; G888-T890 PolarHBondContact O-OG1 3.29Å; T890-Y892 HydrophobicContact CG2-CD2 4.32Å; T890-Y892 HydrophobicContact CG2-CE2 3.82Å; T890-Y892 WeakPolarHBondContact O-CD2 3.36Å; T890-T915 PolarHBondContact N-OG1 3.04Å; T890-T915 PolarHBondContact O-N 2.89Å; T890-T915 PolarHBondContact O-OG1 2.67Å
891R94.3Very high92.8Very high130 Ų13039.8 Ų39.849%0.49121%0.21SC..EExtended strand (participates in β ladder)trans-85.1125.3175.1-162.7174-167.9177.20.4109.8F893 D912R891-F893 HydrophobicContact CG-CZ 4.33Å; R891-D912 IonicContact CZ-OD1 2.66Å; R891-D912 IonicContact CZ-OD2 2.77Å; R891-D912 IonicContact NE-OD1 3.87Å; R891-D912 IonicContact NE-OD2 3.91Å; R891-D912 PolarHBondContact NE-OD2 3.2Å; R891-D912 IonicContact NH2-OD1 3.97Å; R891-D912 PolarHBondContact NH2-OD1 2.89Å; R891-D912 IonicContact NH2-OD2 2.86Å; R891-D912 PolarHBondContact NH2-OD2 2.7Å
892Y95.4Very high92.8Very high5 Ų542.8 Ų42.82%0.0223%0.228CC..EExtended strand (participates in β ladder)trans-116.9142.6178.9-75.4-87.7000110.4Y858 T859 V860 L886 S887 T890 F894 D912 V913 T915Y858-Y892 HydrophobicContact CD2-CD1 4.04Å; Y858-Y892 HydrophobicContact CD2-CE1 4.37Å; T859-Y892 WeakPolarHBondContact O-CA 3.49Å; V860-Y892 HydrophobicContact CG1-CD1 3.57Å; V860-Y892 HydrophobicContact CG1-CE1 3.17Å; V860-Y892 HydrophobicContact CG1-CE2 4.29Å; V860-Y892 HydrophobicContact CG1-CG 4.28Å; L886-Y892 HydrophobicContact CB-CD2 4.5Å; L886-Y892 HydrophobicContact CB-CE2 3.74Å; L886-Y892 HydrophobicContact CD1-CD2 4.36Å; L886-Y892 HydrophobicContact CD1-CE2 4.4Å; L886-Y892 HydrophobicContact CD2-CD1 4.14Å; L886-Y892 HydrophobicContact CD2-CE1 3.71Å; L886-Y892 HydrophobicContact CD2-CE2 4.22Å; L886-Y892 HydrophobicContact CG-CE2 4.34Å; S887-Y892 PolarHBondContact N-OH 2.92Å; T890-Y892 HydrophobicContact CG2-CD2 4.32Å; T890-Y892 HydrophobicContact CG2-CE2 3.82Å; T890-Y892 WeakPolarHBondContact O-CD2 3.36Å; Y892-F894 VanDerWaalsContact CB-CE2 3.47Å; Y892-F894 HydrophobicContact CG-CE2 4.43Å; Y892-D912 CarbonylContact O-C 3.5Å; Y892-D912 VanDerWaalsContact O-CA 3.23Å; Y892-D912 WeakPolarHBondContact O-CA 3.36Å; Y892-D912 WeakPolarHBondContact O-CB 3.35Å; Y892-V913 PolarHBondContact N-O 2.82Å; Y892-V913 PolarHBondContact O-N 2.9Å; Y892-T915 HydrophobicContact CD2-CG2 4.11Å; Y892-T915 HydrophobicContact CE2-CG2 4.17Å
893F95.9Very high92.5Very high33 Ų3341 Ų4115%0.14523%0.226CC..EExtended strand (participates in β ladder)trans-112131.3177.4-58.2-85.8000108.5Y858 T859 L862 W869 R891 V910 D912Y858-F893 CarbonylContact C-O 3.57Å; Y858-F893 WeakPolarHBondContact CA-O 3.5Å; Y858-F893 WeakPolarHBondContact CB-O 3.45Å; T859-F893 HydrophobicContact CG2-CB 4.09Å; T859-F893 HydrophobicContact CG2-CD2 4.36Å; T859-F893 PolarHBondContact N-O 3.25Å; T859-F893 PolarHBondContact O-N 2.96Å; L862-F893 HydrophobicContact CD1-CD1 3.74Å; L862-F893 HydrophobicContact CD1-CD2 4.47Å; L862-F893 HydrophobicContact CD1-CE1 3.61Å; L862-F893 HydrophobicContact CD1-CE2 4.36Å; L862-F893 HydrophobicContact CD1-CG 4.18Å; L862-F893 HydrophobicContact CD1-CZ 3.94Å; L862-F893 HydrophobicContact CD2-CB 3.65Å; L862-F893 HydrophobicContact CD2-CD1 3.8Å; L862-F893 HydrophobicContact CD2-CD2 3.99Å; L862-F893 HydrophobicContact CD2-CE1 4.47Å; L862-F893 HydrophobicContact CD2-CG 3.52Å; L862-F893 HydrophobicContact CG-CB 4.39Å; L862-F893 HydrophobicContact CG-CD1 3.83Å; L862-F893 HydrophobicContact CG-CD2 3.79Å; L862-F893 HydrophobicContact CG-CE1 4.01Å; L862-F893 HydrophobicContact CG-CE2 3.97Å; L862-F893 HydrophobicContact CG-CG 3.73Å; L862-F893 HydrophobicContact CG-CZ 4.07Å; W869-F893 HydrophobicContact CH2-CB 4.43Å; R891-F893 HydrophobicContact CG-CZ 4.33Å; F893-V910 HydrophobicContact CB-CG1 3.77Å; F893-V910 HydrophobicContact CD1-CG1 4.18Å; F893-V910 HydrophobicContact CG-CG1 4.45Å; F893-D912 HydrophobicContact CD1-CB 3.5Å; F893-D912 HydrophobicContact CE1-CB 3.71Å; F893-D912 HydrophobicContact CG-CB 4.34Å
894F96.4Very high92.3Very high0 Ų043.2 Ų43.20%024%0.242CC..EExtended strand (participates in β ladder)trans-126.3147.5-176-69.4-97.9000111.2L829 V837 V839 I856 L857 Y858 V883 L886 Y892 V910 V911 V913L829-F894 HydrophobicContact CD1-CB 4.07Å; L829-F894 HydrophobicContact CD1-CD2 3.62Å; L829-F894 HydrophobicContact CD1-CE2 4.44Å; L829-F894 HydrophobicContact CD1-CG 4.15Å; L829-F894 HydrophobicContact CD2-CB 3.88Å; L829-F894 HydrophobicContact CD2-CD1 4.46Å; L829-F894 HydrophobicContact CD2-CD2 3.95Å; L829-F894 HydrophobicContact CD2-CG 3.86Å; L829-F894 HydrophobicContact CG-CD2 4.46Å; V837-F894 HydrophobicContact CB-CE2 4.49Å; V837-F894 HydrophobicContact CB-CZ 4.14Å; V837-F894 HydrophobicContact CG1-CE2 4.07Å; V837-F894 HydrophobicContact CG1-CZ 4Å; V839-F894 HydrophobicContact CG2-CD1 3.72Å; V839-F894 HydrophobicContact CG2-CE1 3.71Å; V839-F894 HydrophobicContact CG2-CG 4.44Å; V839-F894 HydrophobicContact CG2-CZ 4.38Å; I856-F894 HydrophobicContact CG2-CD1 4.06Å; L857-F894 CarbonylContact O-C 3.25Å; L857-F894 WeakPolarHBondContact O-CA 3.27Å; Y858-F894 VanDerWaalsContact CB-CD1 3.46Å; Y858-F894 HydrophobicContact CD1-CE1 4.34Å; Y858-F894 HydrophobicContact CD2-CE1 4.19Å; Y858-F894 HydrophobicContact CD2-CZ 4.34Å; Y858-F894 HydrophobicContact CG-CD1 4.2Å; Y858-F894 AromaticContact CG-CE1 3.79Å; Y858-F894 HydrophobicContact CG-CE1 3.79Å; Y858-F894 HydrophobicContact CG-CZ 4.36Å; V883-F894 HydrophobicContact CB-CE1 4.17Å; V883-F894 HydrophobicContact CG1-CE1 4.27Å; V883-F894 HydrophobicContact CG2-CE1 4.01Å; L886-F894 HydrophobicContact CD1-CZ 4.44Å; Y892-F894 VanDerWaalsContact CB-CE2 3.47Å; Y892-F894 HydrophobicContact CG-CE2 4.43Å; F894-V910 WeakPolarHBondContact O-CA 3.4Å; F894-V911 PolarHBondContact N-O 3.19Å; F894-V911 PolarHBondContact O-N 2.83Å; F894-V913 HydrophobicContact CD2-CG1 4.17Å; F894-V913 HydrophobicContact CE2-CG1 3.73Å
895K95.8Very high92.4Very high10 Ų1035.5 Ų35.54%0.04322%0.216CC..EExtended strand (participates in β ladder)trans-147.3150.2164.462.8-179.8-162.5160.40110.6L857 E866 W869 F907 S908 V910L857-K895 HydrophobicContact CB-CG 4.08Å; L857-K895 PolarHBondContact N-O 2.83Å; L857-K895 PolarHBondContact O-N 2.87Å; E866-K895 IonicContact OE1-NZ 3.8Å; E866-K895 PolarHBondContact OE1-NZ 3.04Å; E866-K895 IonicContact OE2-NZ 3.72Å; E866-K895 PolarHBondContact OE2-NZ 2.83Å; W869-K895 HydrophobicContact CZ3-CD 4.29Å; W869-K895 HydrophobicContact CZ3-CG 4.18Å; K895-F907 HydrophobicContact CB-CB 4.3Å; K895-F907 HydrophobicContact CB-CD1 4.48Å; K895-F907 HydrophobicContact CD-CB 3.78Å; K895-F907 HydrophobicContact CD-CD1 4.17Å; K895-F907 HydrophobicContact CD-CG 3.98Å; K895-F907 HydrophobicContact CG-CB 4.13Å; K895-F907 HydrophobicContact CG-CD1 3.87Å; K895-F907 HydrophobicContact CG-CG 4.18Å; K895-S908 WeakPolarHBondContact CA-OG 3.39Å; K895-V910 HydrophobicContact CB-CG2 4.3Å; K895-V910 HydrophobicContact CD-CG2 4.12Å
896V95.9Very high92.6Very high0 Ų035.5 Ų35.50%021%0.206CC..EExtended strand (participates in β ladder)trans-124.4135-176.2-172.40000110.1P824 L827 V839 W841 Y854 R855 I856 F907 S908P824-V896 VanDerWaalsContact CD-O 3.31Å; P824-V896 WeakPolarHBondContact CD-O 3.49Å; P824-V896 HydrophobicContact CG-CB 4.44Å; P824-V896 HydrophobicContact CG-CG1 4.19Å; L827-V896 HydrophobicContact CD1-CG2 3.61Å; L827-V896 HydrophobicContact CD2-CG2 4.2Å; V839-V896 HydrophobicContact CG1-CG2 4.02Å; W841-V896 HydrophobicContact CD2-CG1 3.88Å; W841-V896 HydrophobicContact CD2-CG2 4.41Å; W841-V896 HydrophobicContact CE3-CG1 4.13Å; W841-V896 HydrophobicContact CE3-CG2 3.94Å; W841-V896 HydrophobicContact CG-CG1 4.25Å; W841-V896 HydrophobicContact CZ2-CG1 4.44Å; W841-V896 HydrophobicContact CZ3-CG2 4.37Å; Y854-V896 HydrophobicContact CD1-CG1 4.16Å; R855-V896 WeakPolarHBondContact O-CA 3.31Å; I856-V896 HydrophobicContact CG1-CG1 4.29Å; I856-V896 HydrophobicContact CG1-CG2 4.07Å; I856-V896 HydrophobicContact CG2-CG2 4.29Å; V896-F907 CarbonylContact O-C 3.51Å; V896-F907 WeakPolarHBondContact O-CA 3.25Å; V896-S908 PolarHBondContact N-OG 3.2Å; V896-S908 PolarHBondContact O-N 2.61Å
897G94.1Very high92.7Very high2 Ų237.5 Ų37.52%0.02121%0.214CC..EExtended strand (participates in β ladder)trans-124.2138.717600000110.8Y854 R855 F907Y854-G897 CarbonylContact C-O 3.55Å; Y854-G897 WeakPolarHBondContact CA-O 3.08Å; R855-G897 PolarHBondContact N-O 3.22Å; R855-G897 PolarHBondContact O-N 3.1Å; G897-F907 VanDerWaalsContact N-CD1 3.31Å
898A93.6Very high92.8Very high1 Ų134.7 Ų34.71%0.00819%0.194CC..EExtended strand (participates in β ladder)trans-90151.2175.300000111.2P820 P824 P844 I851 Y854 G905P820-A898 HydrophobicContact CG-CB 4Å; P824-A898 HydrophobicContact CG-CB 4.14Å; P844-A898 HydrophobicContact CG-CB 3.52Å; I851-A898 HydrophobicContact CD1-CB 4.13Å; I851-A898 HydrophobicContact CG2-CB 4.22Å; Y854-A898 HydrophobicContact CD1-CB 3.87Å; Y854-A898 HydrophobicContact CE1-CB 3.64Å; A898-G905 PolarHBondContact O-N 2.82Å
899S91.9Very high93Very high7 Ų738.4 Ų38.45%0.04922%0.215CC..EExtended strand (participates in β ladder)trans-130.8138.2172.8-51.30000111I851 V852 S853 G903 S904I851-S899 CarbonylContact C-O 3.59Å; I851-S899 WeakPolarHBondContact CA-O 3.5Å; I851-S899 WeakPolarHBondContact CG2-O 3.33Å; V852-S899 PolarHBondContact N-O 3.09Å; S853-S899 PolarHBondContact N-O 3.37Å; S853-S899 PolarHBondContact O-N 2.84Å; S899-G903 WeakPolarHBondContact CA-O 3.43Å; S899-S904 WeakPolarHBondContact OG-CA 3.47Å; S899-S904 WeakPolarHBondContact OG-CB 3.27Å; S899-S904 PolarHBondContact OG-OG 2.92Å
900T92.3Very high93.3Very high5 Ų540.8 Ų40.83%0.03123%0.225CC..EExtended strand (participates in β ladder)trans-96.7176.9163.364.90000109.2D818 P820 P847 I850 I851 V902 G903D818-T900 WeakPolarHBondContact O-CB 3.49Å; D818-T900 WeakPolarHBondContact O-CG2 3.45Å; D818-T900 PolarHBondContact O-OG1 2.72Å; P820-T900 HydrophobicContact CG-CG2 4.05Å; P847-T900 WeakPolarHBondContact O-CG2 3.38Å; I850-T900 WeakPolarHBondContact O-CA 3.45Å; I850-T900 WeakPolarHBondContact O-CB 3.47Å; I850-T900 WeakPolarHBondContact O-CG2 3.42Å; I851-T900 HydrophobicContact CD1-CG2 3.94Å; T900-V902 PolarHBondContact O-N 2.73Å; T900-V902 PolarHBondContact OG1-N 2.79Å; T900-G903 PolarHBondContact N-O 3.03Å; T900-G903 PolarHBondContact O-N 3.09Å; T900-G903 VanDerWaalsContact O-N 3.15Å
901K85.5Confident93.5Very high168 Ų16841 Ų4173%0.7323%0.227SC*.THydrogen-bonded Turntrans-57.9-12.3171.469.6172.8-179.4177.50114.9P817 V852P817-K901 VanDerWaalsContact CG-CE 3.47Å; V852-K901 HydrophobicContact CG1-CB 4.27Å
902V90.7Very high93.5Very high82 Ų8238 Ų3850%0.49722%0.22SC..THydrogen-bonded Turntrans-93.4-31.7179.9-176.50000111.4P817 T900P817-V902 HydrophobicContact CB-CG2 4.19Å; P817-V902 HydrophobicContact CG-CG2 4.09Å; T900-V902 PolarHBondContact O-N 2.73Å; T900-V902 PolarHBondContact OG1-N 2.79Å
903G89.3Confident93.5Very high26 Ų2638.7 Ų38.727%0.26823%0.225SC..EExtended strand (participates in β ladder)trans160.9178.5176.300000113.8S899 T900S899-G903 WeakPolarHBondContact CA-O 3.43Å; T900-G903 PolarHBondContact N-O 3.03Å; T900-G903 PolarHBondContact O-N 3.09Å; T900-G903 VanDerWaalsContact O-N 3.15Å
904S91.1Very high93.4Very high49 Ų4943 Ų4334%0.34325%0.245SC..EExtended strand (participates in β ladder)trans-78.5137.9176.5-54.30000112R819 S899R819-S904 WeakPolarHBondContact CD-O 3.39Å; S899-S904 WeakPolarHBondContact OG-CA 3.47Å; S899-S904 WeakPolarHBondContact OG-CB 3.27Å; S899-S904 PolarHBondContact OG-OG 2.92Å
905G92.2Very high93.1Very high10 Ų1043 Ų4310%0.10325%0.246CC..EExtended strand (participates in β ladder)trans-84.4-172.5168.200000112P820 A898P820-G905 WeakPolarHBondContact O-CA 3.45Å; A898-G905 PolarHBondContact O-N 2.82Å
906P94.6Very high92.7Very high56 Ų5645.7 Ų45.736%0.36426%0.264SS..EExtended strand (participates in β ladder)trans-68.1154.9176.530.3-34.6000111.7P820 S821 P823P820-P906 VanDerWaalsContact O-CD 3.25Å; P820-P906 WeakPolarHBondContact O-CD 3.27Å; S821-P906 WeakPolarHBondContact O-CG 3.36Å; P823-P906 HydrophobicContact CB-CG 4.29Å
907F94.9Very high92.3Very high53 Ų5352.1 Ų52.123%0.23230%0.297CS..EExtended strand (participates in β ladder)trans-79151.3169.7-71.7-89.8000111P823 R855 L857 K895 V896 G897P823-F907 VanDerWaalsContact CB-C 3.48Å; P823-F907 WeakPolarHBondContact CB-O 3.18Å; R855-F907 HydrophobicContact CB-CE1 4.41Å; L857-F907 HydrophobicContact CB-CE1 4.4Å; L857-F907 HydrophobicContact CD1-CD1 4.4Å; L857-F907 HydrophobicContact CD1-CE1 3.65Å; L857-F907 HydrophobicContact CD1-CE2 4.04Å; L857-F907 HydrophobicContact CD1-CZ 3.43Å; L857-F907 VanDerWaalsContact CD1-CZ 3.43Å; L857-F907 HydrophobicContact CG-CE1 3.67Å; L857-F907 HydrophobicContact CG-CZ 3.88Å; K895-F907 HydrophobicContact CB-CB 4.3Å; K895-F907 HydrophobicContact CB-CD1 4.48Å; K895-F907 HydrophobicContact CD-CB 3.78Å; K895-F907 HydrophobicContact CD-CD1 4.17Å; K895-F907 HydrophobicContact CD-CG 3.98Å; K895-F907 HydrophobicContact CG-CB 4.13Å; K895-F907 HydrophobicContact CG-CD1 3.87Å; K895-F907 HydrophobicContact CG-CG 4.18Å; V896-F907 CarbonylContact O-C 3.51Å; V896-F907 WeakPolarHBondContact O-CA 3.25Å; G897-F907 VanDerWaalsContact N-CD1 3.31Å
908S95.7Very high91.4Very high7 Ų754.2 Ų54.25%0.04931%0.311CS..PPolyproline II helixtrans-54.9161.6166.270.70000111.5L827 K895 V896L827-S908 VanDerWaalsContact CD2-OG 3.28Å; L827-S908 WeakPolarHBondContact CD2-OG 3.38Å; K895-S908 WeakPolarHBondContact CA-OG 3.39Å; V896-S908 PolarHBondContact N-OG 3.2Å; V896-S908 PolarHBondContact O-N 2.61Å
909P93.4Very high90.1Very high101 Ų10160.4 Ų60.466%0.65635%0.349SS*.PPolyproline II helixtrans-49.5150.4160-24.935.2000111.2V911P909-V911 PolarHBondContact O-N 3.1Å
910V94.6Very high88.2Confident69 Ų6969.4 Ų69.442%0.41838%0.383SS..PPolyproline II helixtrans-73.9126.1175.6178.50000109L862 W869 F893 F894 K895L862-V910 HydrophobicContact CD2-CG1 4.16Å; W869-V910 HydrophobicContact CH2-CG1 4.37Å; W869-V910 HydrophobicContact CH2-CG2 4.06Å; F893-V910 HydrophobicContact CB-CG1 3.77Å; F893-V910 HydrophobicContact CD1-CG1 4.18Å; F893-V910 HydrophobicContact CG-CG1 4.45Å; F894-V910 WeakPolarHBondContact O-CA 3.4Å; K895-V910 HydrophobicContact CB-CG2 4.3Å; K895-V910 HydrophobicContact CD-CG2 4.12Å
911V95.3Very high86.2Confident48 Ų4878 Ų7829%0.29142%0.423SS..EExtended strand (participates in β ladder)trans-114.8144.2173.4-173.80000107.7L827 L829 F894 P909L827-V911 HydrophobicContact CB-CG2 4.19Å; L827-V911 HydrophobicContact CD2-CB 4.15Å; L827-V911 HydrophobicContact CD2-CG2 3.89Å; L827-V911 HydrophobicContact CG-CB 4.38Å; L827-V911 HydrophobicContact CG-CG2 4.03Å; L829-V911 HydrophobicContact CD1-CB 3.95Å; L829-V911 HydrophobicContact CD1-CG1 3.74Å; L829-V911 WeakPolarHBondContact CD1-O 3.39Å; L829-V911 HydrophobicContact CG-CB 4.33Å; L829-V911 HydrophobicContact CG-CG1 3.99Å; F894-V911 PolarHBondContact N-O 3.19Å; F894-V911 PolarHBondContact O-N 2.83Å; P909-V911 PolarHBondContact O-N 3.1Å
912D95Very high84Confident65 Ų6577 Ų7735%0.34843%0.425SS..EExtended strand (participates in β ladder)trans-118.2155.3-178.284.1-102.7000113.2R891 Y892 F893R891-D912 IonicContact CZ-OD1 2.66Å; R891-D912 IonicContact CZ-OD2 2.77Å; R891-D912 IonicContact NE-OD1 3.87Å; R891-D912 IonicContact NE-OD2 3.91Å; R891-D912 PolarHBondContact NE-OD2 3.2Å; R891-D912 IonicContact NH2-OD1 3.97Å; R891-D912 PolarHBondContact NH2-OD1 2.89Å; R891-D912 IonicContact NH2-OD2 2.86Å; R891-D912 PolarHBondContact NH2-OD2 2.7Å; Y892-D912 CarbonylContact O-C 3.5Å; Y892-D912 VanDerWaalsContact O-CA 3.23Å; Y892-D912 WeakPolarHBondContact O-CA 3.36Å; Y892-D912 WeakPolarHBondContact O-CB 3.35Å; F893-D912 HydrophobicContact CD1-CB 3.5Å; F893-D912 HydrophobicContact CE1-CB 3.71Å; F893-D912 HydrophobicContact CG-CB 4.34Å
913V94.7Very high81.9Confident20 Ų2078 Ų7812%0.12143%0.427CS..EExtended strand (participates in β ladder)trans-149.1145.3175.566.60000109.7L829 A831 V837 Y892 F894L829-V913 HydrophobicContact CB-CB 3.95Å; L829-V913 HydrophobicContact CB-CG1 4.15Å; L829-V913 HydrophobicContact CB-CG2 4.42Å; L829-V913 HydrophobicContact CD1-CB 3.91Å; L829-V913 HydrophobicContact CD1-CG1 3.86Å; A831-V913 HydrophobicContact CB-CG2 4.08Å; V837-V913 HydrophobicContact CB-CG1 4.46Å; V837-V913 HydrophobicContact CG1-CG1 3.86Å; V837-V913 HydrophobicContact CG2-CG1 3.71Å; Y892-V913 PolarHBondContact N-O 2.82Å; Y892-V913 PolarHBondContact O-N 2.9Å; F894-V913 HydrophobicContact CD2-CG1 4.17Å; F894-V913 HydrophobicContact CE2-CG1 3.73Å
914Q93.9Very high80.1Confident123 Ų12382.2 Ų82.258%0.57544%0.442SS*.EExtended strand (participates in β ladder)trans-102.9127.1172.2-168.6169.58.500109.9G889G889-Q914 PolarHBondContact O-NE2 2.9Å
915T91.7Very high78.1Confident2 Ų286.7 Ų86.71%0.01246%0.457CS..PPolyproline II helixtrans-69.3142.7172.351.80000110V837 L886 S887 G889 T890 Y892V837-T915 HydrophobicContact CG2-CG2 4.06Å; L886-T915 HydrophobicContact CB-CG2 4.13Å; L886-T915 HydrophobicContact CD1-CG2 4.1Å; S887-T915 PolarHBondContact O-OG1 3.32Å; G889-T915 WeakPolarHBondContact CA-O 3.28Å; G889-T915 PolarHBondContact N-O 2.98Å; G889-T915 VanDerWaalsContact N-O 3.11Å; G889-T915 PolarHBondContact N-OG1 2.9Å; T890-T915 PolarHBondContact N-OG1 3.04Å; T890-T915 PolarHBondContact O-N 2.89Å; T890-T915 PolarHBondContact O-OG1 2.67Å; Y892-T915 HydrophobicContact CD2-CG2 4.11Å; Y892-T915 HydrophobicContact CE2-CG2 4.17Å
916P86.7Confident76Confident65 Ų6588.7 Ų88.742%0.42247%0.473SS..PPolyproline II helixtrans-50.7150.7167.5-28.834.3000112.5S834 G888 G889S834-P916 VanDerWaalsContact CA-O 3.31Å; S834-P916 WeakPolarHBondContact CA-O 3.43Å; S834-P916 WeakPolarHBondContact CB-O 3.45Å; G888-P916 CarbonylContact C-O 3.56Å; G888-P916 VanDerWaalsContact CA-O 3.29Å; G888-P916 WeakPolarHBondContact CA-O 3.34Å; G889-P916 PolarHBondContact N-O 2.9Å
917L86.4Confident74Confident135 Ų13590.4 Ų90.471%0.70748%0.482SS*.PPolyproline II helixtrans-59.9149170.8-76.9164.2000110.5T919L917-T919 PolarHBondContact O-N 2.83Å
918P76.4Confident72.1Confident47 Ų4791.3 Ų91.331%0.30549%0.492SS..PPolyproline II helixtrans-62.8119.3171.4-1125.4000109.2Y920P918-Y920 HydrophobicContact CB-CD2 4.3Å; P918-Y920 HydrophobicContact CB-CE2 3.89Å; P918-Y920 HydrophobicContact CG-CE2 4.21Å; P918-Y920 WeakPolarHBondContact O-CD2 3.28Å; P918-Y920 PolarHBondContact O-N 3.48Å
919T65.2Low70.1Confident131 Ų13193 Ų9380%0.80451%0.511SS*.  trans-73.293.3169.346.40000108.6L917 E921L917-T919 PolarHBondContact O-N 2.83Å; T919-E921 PolarHBondContact O-N 3.36Å; T919-E921 VanDerWaalsContact O-N 3.07Å
920Y53Low68.4Low196 Ų19694 Ų9477%0.76951%0.51SS*.  trans-7391.7168.4-66.7-82000109.1P918 L922P918-Y920 HydrophobicContact CB-CD2 4.3Å; P918-Y920 HydrophobicContact CB-CE2 3.89Å; P918-Y920 HydrophobicContact CG-CE2 4.21Å; P918-Y920 WeakPolarHBondContact O-CD2 3.28Å; P918-Y920 PolarHBondContact O-N 3.48Å; Y920-L922 PolarHBondContact O-N 3.02Å
921E49.3Very low66.6Low185 Ų18595.7 Ų95.786%0.86452%0.515SS*.  trans-64.6119.9154.6-69.5-170.1148.400107.4T919 D923T919-E921 PolarHBondContact O-N 3.36Å; T919-E921 VanDerWaalsContact O-N 3.07Å; E921-D923 PolarHBondContact O-N 2.85Å
922L39.4Very low65Low148 Ų14897.3 Ų97.378%0.77553%0.525SS*.  trans-66.6107.7173.9-9981.8000108.6Y920 I924Y920-L922 PolarHBondContact O-N 3.02Å; L922-I924 VanDerWaalsContact C-N 3.32Å; L922-I924 PolarHBondContact O-N 2.97Å
923D46.5Very low63.4Low101 Ų10196.2 Ų96.254%0.5453%0.529SS..  trans-70.293.7164.9-177.19.7000109.8E921 H925 A926E921-D923 PolarHBondContact O-N 2.85Å; D923-H925 PolarHBondContact O-N 2.87Å; D923-H925 VanDerWaalsContact O-N 3.15Å; D923-H925 VanDerWaalsContact OD1-CB 3.27Å; D923-H925 WeakPolarHBondContact OD1-CB 3.38Å; D923-H925 IonicContact OD1-CG 2.6Å; D923-H925 PolarHBondContact OD1-N 2.94Å; D923-H925 IonicContact OD1-ND1 2.82Å; D923-A926 PolarHBondContact O-N 2.86Å
924I52.9Low62Low115 Ų11599.6 Ų99.659%0.5955%0.549SS*.Hα-helixtrans-58.5-22.7176.3-68.1169.2000111.4L922 T928L922-I924 VanDerWaalsContact C-N 3.32Å; L922-I924 PolarHBondContact O-N 2.97Å; I924-T928 PolarHBondContact O-N 2.84Å; I924-T928 PolarHBondContact O-OG1 2.98Å
925H47.4Very low60.3Low143 Ų14397 Ų9766%0.66254%0.544SS*.Hα-helixtrans-76.5-30.6-177.3-65.553.6000112.7D923 V927 T928 G929D923-H925 PolarHBondContact O-N 2.87Å; D923-H925 VanDerWaalsContact O-N 3.15Å; D923-H925 VanDerWaalsContact OD1-CB 3.27Å; D923-H925 WeakPolarHBondContact OD1-CB 3.38Å; D923-H925 IonicContact OD1-CG 2.6Å; D923-H925 PolarHBondContact OD1-N 2.94Å; D923-H925 IonicContact OD1-ND1 2.82Å; H925-V927 VanDerWaalsContact C-N 3.32Å; H925-V927 PolarHBondContact O-N 3.23Å; H925-T928 WeakPolarHBondContact CA-OG1 3.48Å; H925-T928 PolarHBondContact O-N 3.09Å; H925-T928 PolarHBondContact O-OG1 3.46Å; H925-T928 VanDerWaalsContact O-OG1 3.05Å; H925-G929 PolarHBondContact O-N 2.97Å
926A49.6Very low58.9Low53 Ų53101.7 Ų101.744%0.43857%0.569SS.*Hα-helixtrans-63.1-39.5174.200000111.8D923 I930D923-A926 PolarHBondContact O-N 2.86Å; A926-I930 WeakPolarHBondContact O-CG1 3.17Å; A926-I930 PolarHBondContact O-N 3.43Å
927V51.3Low57.8Low91 Ų91100.3 Ų100.355%0.55257%0.566SS**Hα-helixtrans-69.1-41.7178.5-177.10000111.3H925 I931H925-V927 VanDerWaalsContact C-N 3.32Å; H925-V927 PolarHBondContact O-N 3.23Å; V927-I931 HydrophobicContact CG1-CD1 4.38Å; V927-I931 WeakPolarHBondContact O-CG1 3.49Å; V927-I931 PolarHBondContact O-N 2.87Å
928T55.6Low56.7Low72 Ų7299 Ų9944%0.44256%0.559SS.*Hα-helixtrans-69.5-36.5176.857.10000112.3I924 H925 I931 V932I924-T928 PolarHBondContact O-N 2.84Å; I924-T928 PolarHBondContact O-OG1 2.98Å; H925-T928 WeakPolarHBondContact CA-OG1 3.48Å; H925-T928 PolarHBondContact O-N 3.09Å; H925-T928 PolarHBondContact O-OG1 3.46Å; H925-T928 VanDerWaalsContact O-OG1 3.05Å; T928-I931 PolarHBondContact O-N 3.02Å; T928-V932 WeakPolarHBondContact O-CG2 3Å; T928-V932 PolarHBondContact O-N 3Å
929G52.8Low56.1Low43 Ų43101 Ų10144%0.44357%0.567SS.*Hα-helixtrans-62.7-40.5177.200000113.9H925 V932 G933H925-G929 PolarHBondContact O-N 2.97Å; G929-V932 PolarHBondContact O-N 3.49Å; G929-G933 PolarHBondContact O-N 2.87Å
930I59.5Low55.6Low122 Ų12298.6 Ų98.663%0.62655%0.554SS**Hα-helixtrans-65.5-42.9177.5-68.3165.9000111A926 G933 V934A926-I930 WeakPolarHBondContact O-CG1 3.17Å; A926-I930 PolarHBondContact O-N 3.43Å; I930-G933 PolarHBondContact O-N 2.98Å; I930-V934 WeakPolarHBondContact O-CG2 3.14Å; I930-V934 PolarHBondContact O-N 3.28Å; I930-V934 VanDerWaalsContact O-N 3.1Å
931I56.2Low56.1Low104 Ų10494.7 Ų94.753%0.53355%0.545SS..Hα-helixtrans-62.5-46.3177.6-64.8167.8000110.5V927 T928 G933 V934 C935V927-I931 HydrophobicContact CG1-CD1 4.38Å; V927-I931 WeakPolarHBondContact O-CG1 3.49Å; V927-I931 PolarHBondContact O-N 2.87Å; T928-I931 PolarHBondContact O-N 3.02Å; I931-G933 PolarHBondContact O-N 2.96Å; I931-V934 PolarHBondContact O-N 3.2Å; I931-C935 PolarHBondContact O-N 3.37Å; I931-C935 VanDerWaalsContact O-N 3.13Å; I931-C935 PolarHBondContact O-SG 2.86Å; I931-C935 VanDerWaalsContact O-SG 3.39Å
932V61.2Low56.5Low83 Ų8391.6 Ų91.650%0.50353%0.534SS..Hα-helixtrans-64.6-38.8178.51720000111.9T928 G929 C935 L936T928-V932 WeakPolarHBondContact O-CG2 3Å; T928-V932 PolarHBondContact O-N 3Å; G929-V932 PolarHBondContact O-N 3.49Å; V932-C935 PolarHBondContact O-N 2.97Å; V932-L936 HydrophobicContact CG1-CD1 3.79Å; V932-L936 HydrophobicContact CG1-CG 4.38Å; V932-L936 WeakPolarHBondContact O-CB 3.48Å; V932-L936 WeakPolarHBondContact O-CG 3.46Å; V932-L936 PolarHBondContact O-N 3.11Å
933G61.2Low57.3Low41 Ų4189.7 Ų89.742%0.42352%0.524SS..Hα-helixtrans-62.6-42.3176.300000113.5G929 I930 I931 L936 G937G929-G933 PolarHBondContact O-N 2.87Å; I930-G933 PolarHBondContact O-N 2.98Å; I931-G933 PolarHBondContact O-N 2.96Å; G933-L936 PolarHBondContact O-N 2.93Å; G933-G937 PolarHBondContact O-N 2.69Å
934V65.7Low57.5Low91 Ų9189.1 Ų89.155%0.55253%0.527SS*.Hα-helixtrans-65.8-41.4176.2173.30000111.2I930 I931 G937 L938I930-V934 WeakPolarHBondContact O-CG2 3.14Å; I930-V934 PolarHBondContact O-N 3.28Å; I930-V934 VanDerWaalsContact O-N 3.1Å; I931-V934 PolarHBondContact O-N 3.2Å; V934-G937 PolarHBondContact O-N 2.79Å; V934-L938 HydrophobicContact CG1-CD1 4.34Å; V934-L938 PolarHBondContact O-N 2.77Å
935C58.4Low57.5Low68 Ų6890.6 Ų90.646%0.45953%0.533SS..Hα-helixtrans-62.8-43.6174.9-68.80000112.6I931 V932 L938 I939I931-C935 PolarHBondContact O-N 3.37Å; I931-C935 VanDerWaalsContact O-N 3.13Å; I931-C935 PolarHBondContact O-SG 2.86Å; I931-C935 VanDerWaalsContact O-SG 3.39Å; V932-C935 PolarHBondContact O-N 2.97Å; C935-L938 PolarHBondContact O-N 2.8Å; C935-I939 WeakPolarHBondContact O-CD1 3.49Å; C935-I939 VanDerWaalsContact O-CG1 3.32Å; C935-I939 WeakPolarHBondContact O-CG1 3.46Å; C935-I939 PolarHBondContact O-N 2.82Å
936L62.5Low57.6Low102 Ų10288.8 Ų88.853%0.53454%0.535SS..Hα-helixtrans-67-37.3178.2-74.3168.1000112.6V932 G933 I939 C940V932-L936 HydrophobicContact CG1-CD1 3.79Å; V932-L936 HydrophobicContact CG1-CG 4.38Å; V932-L936 WeakPolarHBondContact O-CB 3.48Å; V932-L936 WeakPolarHBondContact O-CG 3.46Å; V932-L936 PolarHBondContact O-N 3.11Å; G933-L936 PolarHBondContact O-N 2.93Å; L936-I939 PolarHBondContact O-N 3.12Å; L936-C940 PolarHBondContact O-N 3.43Å
937G63Low57.4Low36 Ų3695.2 Ų95.237%0.37155%0.554SS.*Hα-helixtrans-60.3-44.5175.100000112.9G933 V934 I939 C940 I941G933-G937 PolarHBondContact O-N 2.69Å; V934-G937 PolarHBondContact O-N 2.79Å; G937-I939 PolarHBondContact O-N 2.76Å; G937-C940 PolarHBondContact O-N 3.4Å; G937-I941 WeakPolarHBondContact O-CG1 3.18Å; G937-I941 PolarHBondContact O-N 2.88Å
938L63.3Low57Low107 Ų10796 Ų9656%0.5656%0.563SS**Hα-helixtrans-63.8-38.3175.9-78.6161000112.6V934 C935 I941 L942V934-L938 HydrophobicContact CG1-CD1 4.34Å; V934-L938 PolarHBondContact O-N 2.77Å; C935-L938 PolarHBondContact O-N 2.8Å; L938-I941 PolarHBondContact O-N 3.03Å; L938-L942 PolarHBondContact O-N 2.89Å
939I64.1Low56.4Low90 Ų90101.6 Ų101.646%0.46258%0.582SS.*Hα-helixtrans-66.3-41.4176.8-68.6164.4000111.3C935 L936 G937 I941 L942 L943C935-I939 WeakPolarHBondContact O-CD1 3.49Å; C935-I939 VanDerWaalsContact O-CG1 3.32Å; C935-I939 WeakPolarHBondContact O-CG1 3.46Å; C935-I939 PolarHBondContact O-N 2.82Å; L936-I939 PolarHBondContact O-N 3.12Å; G937-I939 PolarHBondContact O-N 2.76Å; I939-I941 PolarHBondContact O-N 2.93Å; I939-L942 PolarHBondContact O-N 2.99Å; I939-L943 HydrophobicContact CG2-CD1 3.97Å; I939-L943 WeakPolarHBondContact O-CG 3.49Å; I939-L943 PolarHBondContact O-N 3.22Å
940C55.6Low55.7Low80 Ų80110.2 Ų110.254%0.54160%0.601SS.*Hα-helixtrans-63-38.7175.7-840000113.1L936 G937 L943 C944L936-C940 PolarHBondContact O-N 3.43Å; G937-C940 PolarHBondContact O-N 3.4Å; C940-L943 PolarHBondContact O-N 2.93Å; C940-C944 PolarHBondContact O-N 3.2Å
941I63.1Low54.5Low113 Ų113112.2 Ų112.258%0.57961%0.613SS**Hα-helixtrans-64.8-41.3177.6-67.2166000110.9G937 L938 I939 C944 M945G937-I941 WeakPolarHBondContact O-CG1 3.18Å; G937-I941 PolarHBondContact O-N 2.88Å; L938-I941 PolarHBondContact O-N 3.03Å; I939-I941 PolarHBondContact O-N 2.93Å; I941-C944 PolarHBondContact O-N 2.76Å; I941-M945 WeakPolarHBondContact O-CG 3.46Å; I941-M945 PolarHBondContact O-N 2.77Å
942L56.9Low53.4Low120 Ų120112.3 Ų112.363%0.62862%0.623SS**Hα-helixtrans-63.5-39.2174.7-75.8162.5000112.4L938 I939 M945 C946L938-L942 PolarHBondContact O-N 2.89Å; I939-L942 PolarHBondContact O-N 2.99Å; L942-M945 PolarHBondContact O-N 2.75Å; L942-C946 PolarHBondContact O-N 2.79Å
943L55.9Low52.1Low108 Ų108117.7 Ų117.757%0.56564%0.639SS**Hα-helixtrans-69.8-36.9178.2-71.2168.7000113.1I939 C940 M945 C946 F947I939-L943 HydrophobicContact CG2-CD1 3.97Å; I939-L943 WeakPolarHBondContact O-CG 3.49Å; I939-L943 PolarHBondContact O-N 3.22Å; C940-L943 PolarHBondContact O-N 2.93Å; L943-M945 VanDerWaalsContact C-N 3.32Å; L943-M945 PolarHBondContact O-N 3.41Å; L943-C946 PolarHBondContact O-N 2.75Å; L943-F947 PolarHBondContact O-N 2.75Å
944C52.3Low51.5Low90 Ų90121 Ų12161%0.60865%0.654SS**Hα-helixtrans-64.4-33.9174.3-77.80000113C940 I941 C946 F947C940-C944 PolarHBondContact O-N 3.2Å; I941-C944 PolarHBondContact O-N 2.76Å; C944-C946 VanDerWaalsContact C-N 3.3Å; C944-C946 PolarHBondContact O-N 3Å; C944-F947 PolarHBondContact O-N 2.67Å
945M52Low49.8Very low146 Ų146128.8 Ų128.872%0.71967%0.673SS**Hα-helixtrans-65.4-32.6175.4-69.4-80.1-117.100112.3I941 L942 L943I941-M945 WeakPolarHBondContact O-CG 3.46Å; I941-M945 PolarHBondContact O-N 2.77Å; L942-M945 PolarHBondContact O-N 2.75Å; L943-M945 VanDerWaalsContact C-N 3.32Å; L943-M945 PolarHBondContact O-N 3.41Å
946C49.3Very low48.6Very low104 Ų104134.2 Ų134.270%0.70369%0.691SS**Hα-helixtrans-76.1-25179.3-68.20000114.3L942 L943 C944L942-C946 PolarHBondContact O-N 2.79Å; L943-C946 PolarHBondContact O-N 2.75Å; C944-C946 VanDerWaalsContact C-N 3.3Å; C944-C946 PolarHBondContact O-N 3Å
947F45.3Very low47.9Very low188 Ų188134.1 Ų134.183%0.82570%0.697SS**Hα-helixtrans-85.2-16.2-173.5-131.1-89.1000114.4L943 C944 F949L943-F947 PolarHBondContact O-N 2.75Å; C944-F947 PolarHBondContact O-N 2.67Å; F947-F949 PolarHBondContact O-N 2.66Å
948S42.9Very low46.4Very low107 Ų107138.2 Ų138.275%0.74872%0.72SS**THydrogen-bonded Turntrans-80.96.6-176-61.10000114.9
949F42.8Very low44.9Very low191 Ų191137 Ų13784%0.83873%0.733SS**SBendtrans-107.737.3-175.3-113.3-76.6000114.3F947F947-F949 PolarHBondContact O-N 2.66Å
950R38.6Very low43.3Very low224 Ų224136.8 Ų136.885%0.84575%0.754SS**SBendtrans-152.1134.8163.2-116.1167.9-174.1178.11.3114
951N33.6Very low42.2Very low164 Ų164141.2 Ų141.288%0.87777%0.771SS**  trans78.3133.4174.2-58.1-11.1000116.8
952S33.7Very low40.6Very low105 Ų105140.3 Ų140.373%0.73478%0.775SS**  trans-138.4134.1-158.156.30000113.1
953K34.4Very low39.3Very low197 Ų197138.9 Ų138.986%0.85778%0.775SS**  trans67.7163.4148.9-73-172.5175.6-176.10118.4
954P48.9Very low38.1Very low111 Ų111140.6 Ų140.672%0.72179%0.79SS**  cis-140161.2-39.437.3-22.1000114.3
955R29.3Very low37Very low253 Ų253140.7 Ų140.796%0.95580%0.797SS**  trans-164.5145.5136.7-111.7169.7-175.7179.31111.7
956E33Very low35.9Very low182 Ų182140.2 Ų140.285%0.8580%0.802SS**  trans-148.7177.8-173.8-124.7-172.8-141.900106.3
957P47.3Very low35.1Very low100 Ų100141.2 Ų141.265%0.64981%0.805SS**  cis-125163.3-15.335.8-19.1000112.2
958S31.4Very low35.1Very low122 Ų122137 Ų13785%0.85380%0.797SS**  154.7157.190.649.10000106.3
959G32Very low34.5Very low82 Ų82140.4 Ų140.485%0.84580%0.801SS**  cis153.7127.1-200000108
960G31.7Very low33.9Very low86 Ų86135.2 Ų135.289%0.88779%0.788SS**  trans157.5100179.200000116.4
961L31.1Very low33.5Very low172 Ų172135.2 Ų135.290%0.90179%0.788SS**  trans-74146.7-175.3-88.3142000116.7
962S29.9Very low33.3Very low94 Ų94137.7 Ų137.766%0.65779%0.791SS**  77.5106.5126.7-156.10000123.1
963S29.8Very low33.1Very low90 Ų90136.5 Ų136.563%0.62979%0.794SS**  81.4150.1117.974.80000124.2
964T30.1Very low32.9Very low144 Ų144130.7 Ų130.788%0.88379%0.79SS**  trans90.4154.4165.471.40000116.7
965A31.1Very low31.9Very low93 Ų93131.6 Ų131.677%0.76980%0.798SS**  trans-114-161.1-149.500000112
966V28.1Very low32.6Very low135 Ų135125.7 Ų125.782%0.81879%0.792SS**  trans96.3115.1165.2-175.30000115.4
967T33.3Very low32.6Very low126 Ų126121.2 Ų121.277%0.77379%0.787SS**  trans-62.8154.8161.549.30000110.7
968P43.3Very low33Very low100 Ų100122.4 Ų122.465%0.64979%0.794SS**  -161.2156.4109.739.4-20.4000118
969Q30.6Very low32.9Very low178 Ų178120.7 Ų120.783%0.83279%0.788SS**  trans59.4167.5131-68.1-174.622.500121.3
970C29.8Very low32.8Very low82 Ų82122.4 Ų122.455%0.55479%0.787SS**  cis-158.8150.9-1.4-128.30000114
971R31.1Very low32.5Very low224 Ų224121.7 Ų121.785%0.84578%0.78SS**  trans40.4136.9135.1-70.8174.9175.4-179.2-3.1123.3
972K30.2Very low33.5Very low216 Ų216119.1 Ų119.194%0.93977%0.773SS**  -174.4154.394.4-91.7171.2-176.1178.90108.1
973G29.3Very low33.3Very low79 Ų79122.9 Ų122.981%0.81478%0.78SS**  cis-159.6172.8-7.500000107.3
974G29.7Very low33.1Very low75 Ų75123.7 Ų123.777%0.77379%0.785SS**  trans-137.7-178.7-161.400000119.7
975C27Very low32.9Very low131 Ų131121.6 Ų121.689%0.88578%0.776SS**  trans74.2154.3168.3-62.10000118.6
976P45.2Very low32.7Very low128 Ų128124.4 Ų124.483%0.83178%0.778SS**  cis-122.6178.5-4.135.2-16.7000115.2
977A31.8Very low32.7Very low89 Ų89122 Ų12274%0.73677%0.767SS**  trans-101.7-164.9172.700000110.4
978P57.3Low32.4Very low124 Ų124123.4 Ų123.481%0.80576%0.764SS**  cis-136.5-178.9-11.241.2-23.8000115.2
979A28.8Very low31.7Very low87 Ų87125.9 Ų125.972%0.71977%0.767SS**  trans143.7136.8130.300000116.2
980S29.1Very low31.5Very low118 Ų118124 Ų12483%0.82576%0.762SS**  trans44.8134.315351.40000122.4
981G25.4Very low31.4Very low71 Ų71128 Ų12873%0.73277%0.773SS**  trans-77.4-152.9166.300000113.5
982P53Low31.3Very low117 Ų117122 Ų12276%0.7676%0.761SS**  cis-133.1-15811.442.3-23.2000114.1
983E25.8Very low31.1Very low174 Ų174120.1 Ų120.181%0.81376%0.761SS**  trans78.2129.1157.1-78.2-178.3178.300122.6
984C24.3Very low31Very low107 Ų107123.4 Ų123.472%0.72376%0.756SS**  trans68.5137.9136.4-66.90000124.7
985S26.8Very low32Very low99 Ų99125 Ų12569%0.69275%0.753SS**  trans77.4143.7146.841.40000121.4
986D26.5Very low32.2Very low153 Ų153124 Ų12482%0.81875%0.747SS**  trans70.7148.6156.6-61.6-10.6000118.8
987S27.9Very low31.3Very low84 Ų84120.6 Ų120.659%0.58774%0.736SS**  cis-176.9172.1-20.954.10000108
988H28.2Very low31.2Very low155 Ų155122.7 Ų122.772%0.71874%0.74SS**  trans63.2154.3161.8-76.1-84.2000117.9
989E28.3Very low30Very low152 Ų152125.3 Ų125.371%0.7174%0.741SS**  cis-167.5-163.3-28.9-149.3168.8-156.300108.3
990L26.7Very low30.1Very low138 Ų138129.1 Ų129.172%0.72374%0.744SS**  trans75106.2-177.9-66.4103.7000115.4
991E26.2Very low30.1Very low168 Ų168129.2 Ų129.279%0.78575%0.745SS**  75.5143.763.4-74.6-157.8134.400113.4
992T29.1Very low30.3Very low97 Ų97129.1 Ų129.160%0.59574%0.744SS**  cis-163154.9-31.9-56.20000104.7
993L26.6Very low29.2Very low177 Ų177132.7 Ų132.793%0.92775%0.751SS**  trans-163.1131.5136.3-106.3161.3000112.9
994M27.6Very low29.2Very low147 Ų147133.1 Ų133.172%0.72475%0.753SS**  trans-98.3-169.4-177.4-89.2-77.4-79.900110.1
995P51.1Low30.5Very low109 Ų109132.7 Ų132.771%0.70875%0.748SS**  cis-132.7-161.21145.3-25.8000113.4
996S29.7Very low30.7Very low109 Ų109134 Ų13476%0.76275%0.753SS**  cis-162167.81.216.30000108.3
997G27.8Very low30.8Very low58 Ų58136.2 Ų136.260%0.59876%0.755SS**  cis177.2172.6-4.900000113.2
998T29.1Very low31Very low132 Ų132139.4 Ų139.481%0.8177%0.765SS**  trans54.8114.3160.752.70000120.2
999Q31.4Very low32Very low179 Ų179137.4 Ų137.484%0.83677%0.766SS**  79.8145.564.5-80.2-172.4-4400114.3
1000E30.7Very low32.3Very low168 Ų168138.7 Ų138.779%0.78577%0.772SS**  cis-147.4159.331.4-67.1-179.7122.300116.5
1001S30.7Very low32.5Very low120 Ų120139.3 Ų139.384%0.83977%0.771SS**  trans31.4156.4139810000125.1
1002G29Very low32.7Very low69 Ų69138.9 Ų138.971%0.71177%0.769SS**  cis173.3172.1-5.600000116
1003Q28.8Very low32.7Very low192 Ų192139.3 Ų139.390%0.89778%0.776SS**  trans70.2112.4157.1-64.9179.4-16.300125.1
1004Q26.2Very low32.8Very low183 Ų183138.1 Ų138.186%0.85577%0.77SS**  24165122-116.5129.2-11.800123.1
1005P52.5Low32.9Very low98 Ų98139.4 Ų139.464%0.63678%0.776SS**  cis-145.7-173.9-3233.4-10.3000118.5
1006T30.2Very low32Very low127 Ų127138.4 Ų138.478%0.77978%0.777SS**  trans74157.4157.367.30000118.9
1007K28.7Very low31.9Very low199 Ų199138.8 Ų138.887%0.86578%0.78SS**  cis-161.2163.5-4.2-126.8175.7179.9-175.20110.9
1008D31.5Very low31.9Very low151 Ų151142 Ų14281%0.80779%0.793SS**  trans-60.4167.5165.7-78.5-52.6000114.4
1009P50.6Low31.9Very low113 Ų113143 Ų14373%0.73479%0.794SS**  cis-157.8171.345.945.4-22.7000123
1010E34.3Very low32.9Very low179 Ų179140 Ų14084%0.83679%0.79SS**  trans57.9135.9139.6-76.8-177.7158.300128.4
1011E31.4Very low32.7Very low150 Ų150136.1 Ų136.170%0.70180%0.795SS**  trans69.9105.8144.3-62.7-140116.600126.8
1012Q29.2Very low32.6Very low160 Ų160134.3 Ų134.375%0.74880%0.795SS**  46.5124.3124.4-54-166.448.400123.7
1013S28.9Very low32.6Very low106 Ų106143.5 Ų143.574%0.74181%0.808SS**  178.8139102.145.20000116.5
1014L30.1Very low32.6Very low152 Ų152137.8 Ų137.880%0.79680%0.801SS**  trans54.6110.1147.2-61.3168.4000120.5
1015M29.6Very low32.8Very low174 Ų174140.4 Ų140.486%0.85780%0.803SS**  66.813494.2-70.1-101.8-10600115.3
1016A30.9Very low31.6Very low88 Ų88141.6 Ų141.673%0.72781%0.812SS**  cis-169.4176.5-14.600000106.5
1017S28.6Very low31.5Very low117 Ų117140.9 Ų140.982%0.81881%0.812SS**  cis-156.3168.3-1.862.70000108.6
1018S28.4Very low31.4Very low124 Ų124137.1 Ų137.187%0.86781%0.81SS**  trans-159.8151.9170.660.30000115.1
1019N28.9Very low31.3Very low155 Ų155140.4 Ų140.483%0.82984%0.836SS**  trans-115.7170.4168.5-138.114.9000106.3
1020P50.7Low30.4Very low116 Ų116141.8 Ų141.875%0.75384%0.841SS**  cis-128.8170.7-48.132.6-16.2000113.2
1021G28.1Very low30.2Very low86 Ų86139.8 Ų139.889%0.88784%0.841SS**  trans108.1136.315000000117.4
1022G28.3Very low30.1Very low82 Ų82139.3 Ų139.385%0.84585%0.849SS**  trans167.8113.4174.200000113.8
1023R28.7Very low30.2Very low262 Ų262138.1 Ų138.199%0.98986%0.855SS**  trans-67.8149.5171.7-59.9165.6173179.2-3.8110.9
1024G29.5Very low30.2Very low72 Ų72140.1 Ų140.174%0.74286%0.862SS**  trans17498.4161.300000117.7
1025R29.6Very low30.2Very low237 Ų237139.3 Ų139.389%0.89487%0.866SS**  trans25.6136.2145.4-69.6179.7173.5178.8-2.7121.6
1026C26.3Very low30.3Very low124 Ų124136.8 Ų136.884%0.83887%0.867SS**  trans44.4130.8133.1-49.50000118.7
1027S28.2Very low30.2Very low112 Ų112140.5 Ų140.578%0.78388%0.877SS**  cis-164.7165.745.954.10000113.6
1028C28.2Very low30.4Very low120 Ų120142.5 Ų142.581%0.81188%0.882SS**  trans-12.7128.9166.8-50.80000119.4
1029T29.7Very low30.6Very low220 Ų220144.2 Ų144.2100%1.3588%0.884SS**  -135.80102.534.70000109.8

Retrieved 1,029 of 1,029 residues in 161.6 ms (Link to these results)